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: -912.525, 84.4209, 115.198, 49.0195, 565.185, -613.094, -1117.11, 3.12239, 0.736573 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.498583E-03,0.457095,1.15672,42.5933,4.156729E-03,0.283903 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 41, 3 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 11.195 -27.080 -3.062 1.00 63.02 ATOM 2 CB MET 1 12.511 -28.486 -2.113 1.00 51.02 ATOM 3 HB1 MET 1 12.415 -28.080 -1.115 1.00 37.06 ATOM 4 HB2 MET 1 13.523 -28.841 -2.250 1.00 34.52 ATOM 5 CG MET 1 11.571 -29.676 -2.234 1.00 32.21 ATOM 6 HG1 MET 1 10.564 -29.348 -2.017 1.00 37.06 ATOM 7 HG2 MET 1 11.865 -30.426 -1.515 1.00 4.12 ATOM 8 SD MET 1 11.597 -30.414 -3.879 1.00 73.41 ATOM 9 CE MET 1 10.452 -31.777 -3.660 1.00 13.30 ATOM 10 HE1 MET 1 9.480 -31.393 -3.390 1.00 62.03 ATOM 11 HE2 MET 1 10.813 -32.428 -2.877 1.00 74.52 ATOM 12 HE3 MET 1 10.376 -32.334 -4.582 1.00 32.52 ATOM 13 C MET 1 13.105 -26.145 -2.815 1.00 72.03 ATOM 14 O MET 1 14.244 -26.050 -3.269 1.00 72.41 ATOM 15 N MET 1 12.482 -27.861 -4.519 1.00 23.02 ATOM 16 HT1 MET 1 11.869 -28.675 -4.727 1.00 37.06 ATOM 17 HT2 MET 1 13.474 -28.156 -4.629 1.00 37.06 ATOM 18 HT3 MET 1 12.281 -27.106 -5.208 1.00 37.06 ATOM 19 CA MET 1 12.235 -27.370 -3.132 1.00 52.51 ATOM 20 N GLY 2 12.559 -25.210 -2.035 1.00 53.03 ATOM 21 HN GLY 2 11.650 -25.342 -1.696 1.00 37.06 ATOM 22 CA GLY 2 13.289 -23.992 -1.687 1.00 72.04 ATOM 23 HA1 GLY 2 12.574 -23.193 -1.551 1.00 37.06 ATOM 24 HA2 GLY 2 13.944 -23.731 -2.505 1.00 34.53 ATOM 25 C GLY 2 14.127 -24.122 -0.415 1.00 42.12 ATOM 26 O GLY 2 14.787 -25.138 -0.190 1.00 41.31 ATOM 27 N HIS 3 14.084 -23.094 0.432 1.00 4.41 ATOM 28 HN HIS 3 13.484 -22.343 0.230 1.00 37.06 ATOM 29 CA HIS 3 14.900 -23.044 1.656 1.00 63.12 ATOM 30 HA HIS 3 15.882 -23.421 1.410 1.00 32.41 ATOM 31 CB HIS 3 15.042 -21.586 2.133 1.00 72.02 ATOM 32 HB1 HIS 3 15.412 -21.581 3.149 1.00 37.06 ATOM 33 HB2 HIS 3 14.072 -21.111 2.112 1.00 75.12 ATOM 34 CG HIS 3 15.975 -20.755 1.306 1.00 72.33 ATOM 35 ND1 HIS 3 15.553 -19.914 0.302 1.00 21.23 ATOM 36 HD1 HIS 3 14.626 -19.791 0.009 1.00 65.03 ATOM 37 CD2 HIS 3 17.321 -20.622 1.358 1.00 13.12 ATOM 38 HD2 HIS 3 17.991 -21.137 2.034 1.00 41.50 ATOM 39 CE1 HIS 3 16.594 -19.301 -0.225 1.00 71.10 ATOM 40 HE1 HIS 3 16.562 -18.582 -1.029 1.00 5.34 ATOM 41 NE2 HIS 3 17.677 -19.711 0.397 1.00 54.24 ATOM 42 HE2 HIS 3 18.597 -19.534 0.097 1.00 37.06 ATOM 43 C HIS 3 14.325 -23.904 2.801 1.00 63.44 ATOM 44 O HIS 3 14.345 -23.485 3.957 1.00 31.22 ATOM 45 N HIS 4 13.842 -25.110 2.495 1.00 72.54 ATOM 46 HN HIS 4 13.803 -25.389 1.556 1.00 37.06 ATOM 47 CA HIS 4 13.362 -26.023 3.543 1.00 13.33 ATOM 48 HA HIS 4 12.601 -25.500 4.108 1.00 21.33 ATOM 49 CB HIS 4 12.746 -27.288 2.931 1.00 53.41 ATOM 50 HB1 HIS 4 13.502 -27.815 2.366 1.00 37.06 ATOM 51 HB2 HIS 4 11.942 -27.004 2.268 1.00 75.23 ATOM 52 CG HIS 4 12.188 -28.232 3.956 1.00 11.01 ATOM 53 ND1 HIS 4 10.896 -28.150 4.429 1.00 54.13 ATOM 54 HD1 HIS 4 10.223 -27.487 4.152 1.00 34.14 ATOM 55 CD2 HIS 4 12.754 -29.278 4.610 1.00 2.00 ATOM 56 HD2 HIS 4 13.766 -29.641 4.487 1.00 70.31 ATOM 57 CE1 HIS 4 10.692 -29.094 5.323 1.00 42.42 ATOM 58 HE1 HIS 4 9.770 -29.270 5.856 1.00 42.10 ATOM 59 NE2 HIS 4 11.800 -29.792 5.452 1.00 42.11 ATOM 60 HE2 HIS 4 11.965 -30.457 6.157 1.00 37.06 ATOM 61 C HIS 4 14.508 -26.401 4.497 1.00 53.40 ATOM 62 O HIS 4 14.342 -26.402 5.718 1.00 43.34 ATOM 63 N HIS 5 15.660 -26.747 3.925 1.00 41.21 ATOM 64 HN HIS 5 15.685 -26.874 2.954 1.00 37.06 ATOM 65 CA HIS 5 16.883 -26.968 4.708 1.00 54.52 ATOM 66 HA HIS 5 16.682 -27.773 5.402 1.00 22.31 ATOM 67 CB HIS 5 18.036 -27.392 3.781 1.00 20.22 ATOM 68 HB1 HIS 5 17.901 -28.429 3.505 1.00 37.06 ATOM 69 HB2 HIS 5 18.972 -27.289 4.309 1.00 12.31 ATOM 70 CG HIS 5 18.132 -26.589 2.516 1.00 31.02 ATOM 71 ND1 HIS 5 17.545 -26.983 1.332 1.00 23.34 ATOM 72 HD1 HIS 5 17.037 -27.814 1.190 1.00 12.31 ATOM 73 CD2 HIS 5 18.748 -25.412 2.249 1.00 35.03 ATOM 74 HD2 HIS 5 19.308 -24.808 2.950 1.00 1.11 ATOM 75 CE1 HIS 5 17.792 -26.088 0.399 1.00 42.44 ATOM 76 HE1 HIS 5 17.450 -26.134 -0.625 1.00 72.24 ATOM 77 NE2 HIS 5 18.520 -25.126 0.925 1.00 12.33 ATOM 78 HE2 HIS 5 18.985 -24.431 0.409 1.00 37.06 ATOM 79 C HIS 5 17.257 -25.710 5.512 1.00 42.35 ATOM 80 O HIS 5 17.358 -24.614 4.953 1.00 54.23 ATOM 81 N HIS 6 17.470 -25.883 6.824 1.00 2.14 ATOM 82 HN HIS 6 17.513 -26.800 7.177 1.00 37.06 ATOM 83 CA HIS 6 17.639 -24.761 7.763 1.00 22.14 ATOM 84 HA HIS 6 17.887 -25.187 8.727 1.00 43.21 ATOM 85 CB HIS 6 18.783 -23.826 7.329 1.00 13.31 ATOM 86 HB1 HIS 6 18.824 -22.980 8.002 1.00 37.06 ATOM 87 HB2 HIS 6 18.587 -23.469 6.328 1.00 74.22 ATOM 88 CG HIS 6 20.134 -24.480 7.328 1.00 43.14 ATOM 89 ND1 HIS 6 21.024 -24.376 8.374 1.00 53.41 ATOM 90 HD1 HIS 6 20.871 -23.886 9.213 1.00 71.01 ATOM 91 CD2 HIS 6 20.751 -25.248 6.395 1.00 53.11 ATOM 92 HD2 HIS 6 20.345 -25.542 5.437 1.00 61.15 ATOM 93 CE1 HIS 6 22.122 -25.045 8.086 1.00 51.13 ATOM 94 HE1 HIS 6 22.989 -25.138 8.724 1.00 21.25 ATOM 95 NE2 HIS 6 21.984 -25.587 6.895 1.00 25.13 ATOM 96 HE2 HIS 6 22.546 -26.317 6.552 1.00 37.06 ATOM 97 C HIS 6 16.321 -23.976 7.911 1.00 61.52 ATOM 98 O HIS 6 15.626 -24.107 8.920 1.00 34.15 ATOM 99 N HIS 7 15.989 -23.175 6.890 1.00 53.24 ATOM 100 HN HIS 7 16.609 -23.114 6.133 1.00 37.06 ATOM 101 CA HIS 7 14.731 -22.400 6.822 1.00 55.12 ATOM 102 HA HIS 7 14.691 -21.963 5.833 1.00 51.30 ATOM 103 CB HIS 7 13.509 -23.318 6.988 1.00 61.21 ATOM 104 HB1 HIS 7 13.372 -23.544 8.036 1.00 37.06 ATOM 105 HB2 HIS 7 13.683 -24.238 6.448 1.00 52.04 ATOM 106 CG HIS 7 12.235 -22.715 6.470 1.00 43.31 ATOM 107 ND1 HIS 7 11.405 -21.915 7.228 1.00 21.52 ATOM 108 HD1 HIS 7 11.540 -21.669 8.169 1.00 55.51 ATOM 109 CD2 HIS 7 11.657 -22.789 5.246 1.00 0.03 ATOM 110 HD2 HIS 7 12.034 -23.331 4.391 1.00 1.23 ATOM 111 CE1 HIS 7 10.379 -21.529 6.496 1.00 65.33 ATOM 112 HE1 HIS 7 9.572 -20.891 6.826 1.00 55.23 ATOM 113 NE2 HIS 7 10.508 -22.045 5.294 1.00 35.21 ATOM 114 HE2 HIS 7 9.824 -22.014 4.594 1.00 37.06 ATOM 115 C HIS 7 14.672 -21.248 7.848 1.00 41.41 ATOM 116 O HIS 7 14.376 -20.104 7.494 1.00 52.32 ATOM 117 N HIS 8 14.961 -21.546 9.115 1.00 2.41 ATOM 118 HN HIS 8 15.201 -22.463 9.338 1.00 37.06 ATOM 119 CA HIS 8 14.913 -20.543 10.188 1.00 12.43 ATOM 120 HA HIS 8 13.987 -19.997 10.078 1.00 11.40 ATOM 121 CB HIS 8 14.907 -21.236 11.562 1.00 54.21 ATOM 122 HB1 HIS 8 14.049 -21.892 11.621 1.00 37.06 ATOM 123 HB2 HIS 8 14.829 -20.486 12.334 1.00 11.12 ATOM 124 CG HIS 8 16.133 -22.057 11.843 1.00 2.11 ATOM 125 ND1 HIS 8 17.376 -21.506 12.040 1.00 72.01 ATOM 126 HD1 HIS 8 17.594 -20.546 12.013 1.00 22.14 ATOM 127 CD2 HIS 8 16.299 -23.396 11.975 1.00 43.01 ATOM 128 HD2 HIS 8 15.529 -24.149 11.879 1.00 1.14 ATOM 129 CE1 HIS 8 18.248 -22.462 12.275 1.00 73.13 ATOM 130 HE1 HIS 8 19.301 -22.321 12.463 1.00 51.25 ATOM 131 NE2 HIS 8 17.624 -23.620 12.245 1.00 15.20 ATOM 132 HE2 HIS 8 17.973 -24.435 12.673 1.00 37.06 ATOM 133 C HIS 8 16.078 -19.535 10.105 1.00 4.12 ATOM 134 O HIS 8 16.367 -18.837 11.074 1.00 31.21 ATOM 135 N SER 9 16.740 -19.468 8.952 1.00 10.21 ATOM 136 HN SER 9 16.518 -20.098 8.241 1.00 37.06 ATOM 137 CA SER 9 17.799 -18.480 8.711 1.00 1.20 ATOM 138 HA SER 9 18.478 -18.501 9.552 1.00 52.44 ATOM 139 CB SER 9 18.569 -18.833 7.434 1.00 44.12 ATOM 140 HB1 SER 9 19.035 -19.800 7.555 1.00 37.06 ATOM 141 HB2 SER 9 19.331 -18.089 7.254 1.00 71.13 ATOM 142 OG SER 9 17.700 -18.883 6.307 1.00 32.43 ATOM 143 HG SER 9 18.198 -19.174 5.532 1.00 44.12 ATOM 144 C SER 9 17.211 -17.073 8.577 1.00 71.03 ATOM 145 O SER 9 17.752 -16.103 9.107 1.00 32.24 ATOM 146 N HIS 10 16.104 -16.973 7.850 1.00 62.54 ATOM 147 HN HIS 10 15.760 -17.776 7.406 1.00 37.06 ATOM 148 CA HIS 10 15.396 -15.701 7.679 1.00 4.34 ATOM 149 HA HIS 10 16.134 -14.915 7.594 1.00 11.42 ATOM 150 CB HIS 10 14.555 -15.739 6.398 1.00 43.12 ATOM 151 HB1 HIS 10 14.128 -14.761 6.224 1.00 37.06 ATOM 152 HB2 HIS 10 13.759 -16.459 6.518 1.00 43.42 ATOM 153 CG HIS 10 15.343 -16.121 5.183 1.00 24.34 ATOM 154 ND1 HIS 10 15.182 -17.323 4.529 1.00 53.44 ATOM 155 HD1 HIS 10 14.541 -18.027 4.770 1.00 64.13 ATOM 156 CD2 HIS 10 16.307 -15.458 4.503 1.00 1.03 ATOM 157 HD2 HIS 10 16.687 -14.471 4.726 1.00 11.45 ATOM 158 CE1 HIS 10 16.011 -17.384 3.509 1.00 14.24 ATOM 159 HE1 HIS 10 16.101 -18.209 2.817 1.00 32.24 ATOM 160 NE2 HIS 10 16.703 -16.268 3.469 1.00 15.14 ATOM 161 HE2 HIS 10 17.278 -15.991 2.723 1.00 37.06 ATOM 162 C HIS 10 14.494 -15.407 8.887 1.00 21.10 ATOM 163 O HIS 10 14.459 -14.286 9.398 1.00 13.13 ATOM 164 N MET 11 13.770 -16.430 9.336 1.00 2.21 ATOM 165 HN MET 11 13.857 -17.297 8.889 1.00 37.06 ATOM 166 CA MET 11 12.859 -16.311 10.483 1.00 62.55 ATOM 167 HA MET 11 12.928 -15.300 10.863 1.00 23.23 ATOM 168 CB MET 11 11.410 -16.576 10.033 1.00 42.23 ATOM 169 HB1 MET 11 11.084 -15.761 9.400 1.00 37.06 ATOM 170 HB2 MET 11 10.774 -16.617 10.906 1.00 30.23 ATOM 171 CG MET 11 11.239 -17.879 9.257 1.00 43.44 ATOM 172 HG1 MET 11 11.614 -18.693 9.862 1.00 37.06 ATOM 173 HG2 MET 11 11.815 -17.818 8.346 1.00 22.42 ATOM 174 SD MET 11 9.523 -18.232 8.825 1.00 72.41 ATOM 175 CE MET 11 9.136 -16.828 7.779 1.00 30.13 ATOM 176 HE1 MET 11 8.129 -16.926 7.402 1.00 32.02 ATOM 177 HE2 MET 11 9.828 -16.795 6.951 1.00 12.23 ATOM 178 HE3 MET 11 9.218 -15.918 8.355 1.00 52.35 ATOM 179 C MET 11 13.263 -17.289 11.602 1.00 70.40 ATOM 180 O MET 11 12.966 -18.484 11.537 1.00 53.41 ATOM 181 N ASN 12 13.953 -16.787 12.623 1.00 12.31 ATOM 182 HN ASN 12 14.135 -15.824 12.653 1.00 37.06 ATOM 183 CA ASN 12 14.443 -17.646 13.705 1.00 62.44 ATOM 184 HA ASN 12 14.714 -18.596 13.264 1.00 0.44 ATOM 185 CB ASN 12 15.694 -17.041 14.358 1.00 42.02 ATOM 186 HB1 ASN 12 15.404 -16.201 14.973 1.00 37.06 ATOM 187 HB2 ASN 12 16.367 -16.699 13.584 1.00 3.21 ATOM 188 CG ASN 12 16.431 -18.044 15.229 1.00 0.30 ATOM 189 OD1 ASN 12 15.832 -18.929 15.834 1.00 23.01 ATOM 190 ND2 ASN 12 17.739 -17.924 15.291 1.00 53.02 ATOM 191 HD21 ASN 12 18.164 -17.201 14.783 1.00 73.52 ATOM 192 HD22 ASN 12 18.234 -18.570 15.832 1.00 41.54 ATOM 193 C ASN 12 13.351 -17.900 14.759 1.00 32.21 ATOM 194 O ASN 12 13.244 -17.185 15.757 1.00 43.02 ATOM 195 N SER 13 12.538 -18.926 14.514 1.00 61.40 ATOM 196 HN SER 13 12.650 -19.424 13.678 1.00 37.06 ATOM 197 CA SER 13 11.462 -19.317 15.438 1.00 35.01 ATOM 198 HA SER 13 10.829 -18.457 15.593 1.00 4.22 ATOM 199 CB SER 13 10.617 -20.439 14.821 1.00 5.31 ATOM 200 HB1 SER 13 11.237 -21.311 14.666 1.00 37.06 ATOM 201 HB2 SER 13 10.221 -20.109 13.872 1.00 14.53 ATOM 202 OG SER 13 9.536 -20.793 15.665 1.00 15.33 ATOM 203 HG SER 13 8.712 -20.740 15.171 1.00 51.13 ATOM 204 C SER 13 12.008 -19.775 16.803 1.00 52.33 ATOM 205 O SER 13 11.310 -19.713 17.815 1.00 64.44 ATOM 206 N ALA 14 13.266 -20.217 16.833 1.00 53.32 ATOM 207 HN ALA 14 13.802 -20.189 16.014 1.00 37.06 ATOM 208 CA ALA 14 13.874 -20.726 18.067 1.00 13.14 ATOM 209 HA ALA 14 13.224 -21.500 18.455 1.00 75.13 ATOM 210 CB ALA 14 15.228 -21.362 17.766 1.00 3.22 ATOM 211 HB1 ALA 14 15.620 -21.819 18.663 1.00 54.52 ATOM 212 HB2 ALA 14 15.916 -20.604 17.420 1.00 14.25 ATOM 213 HB3 ALA 14 15.111 -22.116 17.000 1.00 5.24 ATOM 214 C ALA 14 14.010 -19.626 19.134 1.00 64.11 ATOM 215 O ALA 14 13.754 -19.865 20.315 1.00 74.44 ATOM 216 N GLU 15 14.400 -18.419 18.714 1.00 51.10 ATOM 217 HN GLU 15 14.598 -18.287 17.761 1.00 37.06 ATOM 218 CA GLU 15 14.543 -17.285 19.644 1.00 24.04 ATOM 219 HA GLU 15 15.265 -17.575 20.394 1.00 22.03 ATOM 220 CB GLU 15 15.066 -16.034 18.919 1.00 54.53 ATOM 221 HB1 GLU 15 14.971 -15.184 19.581 1.00 37.06 ATOM 222 HB2 GLU 15 14.457 -15.859 18.043 1.00 0.02 ATOM 223 CG GLU 15 16.524 -16.130 18.477 1.00 53.14 ATOM 224 HG1 GLU 15 16.596 -16.842 17.666 1.00 37.06 ATOM 225 HG2 GLU 15 17.118 -16.479 19.311 1.00 75.12 ATOM 226 CD GLU 15 17.081 -14.791 18.007 1.00 61.33 ATOM 227 OE1 GLU 15 17.384 -13.934 18.870 1.00 23.53 ATOM 228 OE2 GLU 15 17.213 -14.585 16.782 1.00 62.55 ATOM 229 C GLU 15 13.219 -16.955 20.352 1.00 34.50 ATOM 230 O GLU 15 13.162 -16.888 21.582 1.00 43.44 ATOM 231 N GLN 16 12.155 -16.750 19.574 1.00 72.34 ATOM 232 HN GLN 16 12.259 -16.799 18.601 1.00 37.06 ATOM 233 CA GLN 16 10.838 -16.436 20.145 1.00 15.13 ATOM 234 HA GLN 16 10.959 -15.562 20.772 1.00 54.44 ATOM 235 CB GLN 16 9.827 -16.104 19.037 1.00 35.43 ATOM 236 HB1 GLN 16 10.189 -15.248 18.483 1.00 37.06 ATOM 237 HB2 GLN 16 8.882 -15.847 19.495 1.00 74.34 ATOM 238 CG GLN 16 9.586 -17.243 18.053 1.00 43.44 ATOM 239 HG1 GLN 16 9.270 -18.117 18.607 1.00 37.06 ATOM 240 HG2 GLN 16 10.512 -17.463 17.540 1.00 35.23 ATOM 241 CD GLN 16 8.525 -16.912 17.020 1.00 42.24 ATOM 242 OE1 GLN 16 8.815 -16.380 15.952 1.00 34.13 ATOM 243 NE2 GLN 16 7.283 -17.226 17.330 1.00 31.44 ATOM 244 HE21 GLN 16 7.116 -17.648 18.195 1.00 71.23 ATOM 245 HE22 GLN 16 6.579 -17.018 16.684 1.00 52.10 ATOM 246 C GLN 16 10.310 -17.589 21.019 1.00 0.44 ATOM 247 O GLN 16 9.591 -17.359 21.993 1.00 73.24 ATOM 248 N THR 17 10.672 -18.827 20.666 1.00 74.25 ATOM 249 HN THR 17 11.190 -18.956 19.843 1.00 37.06 ATOM 250 CA THR 17 10.309 -20.001 21.473 1.00 14.31 ATOM 251 HA THR 17 9.231 -20.012 21.570 1.00 63.12 ATOM 252 CB THR 17 10.746 -21.324 20.790 1.00 63.23 ATOM 253 HB THR 17 11.807 -21.274 20.586 1.00 74.50 ATOM 254 OG1 THR 17 10.042 -21.494 19.549 1.00 24.21 ATOM 255 HG1 THR 17 10.540 -21.085 18.835 1.00 24.15 ATOM 256 CG2 THR 17 10.478 -22.530 21.685 1.00 31.03 ATOM 257 HG21 THR 17 11.050 -22.438 22.597 1.00 34.02 ATOM 258 HG22 THR 17 10.767 -23.435 21.169 1.00 42.21 ATOM 259 HG23 THR 17 9.425 -22.575 21.924 1.00 31.25 ATOM 260 C THR 17 10.928 -19.915 22.878 1.00 23.42 ATOM 261 O THR 17 10.296 -20.279 23.871 1.00 21.31 ATOM 262 N VAL 18 12.166 -19.417 22.956 1.00 32.35 ATOM 263 HN VAL 18 12.656 -19.223 22.126 1.00 37.06 ATOM 264 CA VAL 18 12.812 -19.159 24.250 1.00 44.12 ATOM 265 HA VAL 18 12.907 -20.103 24.770 1.00 63.42 ATOM 266 CB VAL 18 14.230 -18.548 24.072 1.00 42.32 ATOM 267 HB VAL 18 14.128 -17.603 23.552 1.00 45.34 ATOM 268 CG1 VAL 18 14.879 -18.271 25.429 1.00 71.10 ATOM 269 HG11 VAL 18 15.865 -17.850 25.282 1.00 11.51 ATOM 270 HG12 VAL 18 14.964 -19.193 25.987 1.00 52.45 ATOM 271 HG13 VAL 18 14.272 -17.571 25.985 1.00 63.15 ATOM 272 CG2 VAL 18 15.114 -19.462 23.224 1.00 3.31 ATOM 273 HG21 VAL 18 16.086 -19.007 23.092 1.00 3.31 ATOM 274 HG22 VAL 18 14.654 -19.612 22.258 1.00 51.22 ATOM 275 HG23 VAL 18 15.229 -20.415 23.720 1.00 15.23 ATOM 276 C VAL 18 11.957 -18.202 25.097 1.00 62.15 ATOM 277 O VAL 18 11.579 -18.517 26.229 1.00 74.31 ATOM 278 N THR 19 11.639 -17.040 24.523 1.00 5.42 ATOM 279 HN THR 19 11.993 -16.843 23.629 1.00 37.06 ATOM 280 CA THR 19 10.788 -16.041 25.190 1.00 34.41 ATOM 281 HA THR 19 11.297 -15.717 26.088 1.00 51.11 ATOM 282 CB THR 19 10.556 -14.802 24.286 1.00 61.34 ATOM 283 HB THR 19 9.993 -15.112 23.416 1.00 24.31 ATOM 284 OG1 THR 19 11.813 -14.260 23.855 1.00 12.32 ATOM 285 HG1 THR 19 11.680 -13.759 23.038 1.00 54.23 ATOM 286 CG2 THR 19 9.763 -13.717 25.015 1.00 2.32 ATOM 287 HG21 THR 19 10.300 -13.409 25.901 1.00 22.11 ATOM 288 HG22 THR 19 8.794 -14.102 25.299 1.00 51.44 ATOM 289 HG23 THR 19 9.633 -12.866 24.362 1.00 11.42 ATOM 290 C THR 19 9.423 -16.634 25.574 1.00 13.02 ATOM 291 O THR 19 8.861 -16.304 26.618 1.00 14.42 ATOM 292 N TRP 20 8.901 -17.514 24.722 1.00 53.21 ATOM 293 HN TRP 20 9.389 -17.715 23.895 1.00 37.06 ATOM 294 CA TRP 20 7.622 -18.192 24.973 1.00 23.43 ATOM 295 HA TRP 20 6.864 -17.429 25.074 1.00 11.23 ATOM 296 CB TRP 20 7.272 -19.081 23.772 1.00 54.24 ATOM 297 HB1 TRP 20 8.088 -19.768 23.598 1.00 37.06 ATOM 298 HB2 TRP 20 7.147 -18.457 22.899 1.00 2.11 ATOM 299 CG TRP 20 6.018 -19.887 23.935 1.00 41.12 ATOM 300 CD1 TRP 20 4.767 -19.422 24.230 1.00 72.42 ATOM 301 HD1 TRP 20 4.526 -18.381 24.399 1.00 44.45 ATOM 302 CD2 TRP 20 5.898 -21.306 23.788 1.00 61.11 ATOM 303 NE1 TRP 20 3.878 -20.469 24.282 1.00 21.24 ATOM 304 HE1 TRP 20 2.918 -20.394 24.482 1.00 35.10 ATOM 305 CE2 TRP 20 4.550 -21.636 24.018 1.00 14.43 ATOM 306 CE3 TRP 20 6.803 -22.330 23.492 1.00 42.24 ATOM 307 HE3 TRP 20 7.845 -22.118 23.311 1.00 63.32 ATOM 308 CZ2 TRP 20 4.086 -22.946 23.954 1.00 61.34 ATOM 309 HZ2 TRP 20 3.049 -23.195 24.128 1.00 5.13 ATOM 310 CZ3 TRP 20 6.340 -23.629 23.430 1.00 34.43 ATOM 311 HZ3 TRP 20 7.023 -24.434 23.200 1.00 42.33 ATOM 312 CH2 TRP 20 4.993 -23.927 23.660 1.00 33.21 ATOM 313 HH2 TRP 20 4.675 -24.957 23.601 1.00 11.35 ATOM 314 C TRP 20 7.666 -19.018 26.274 1.00 14.31 ATOM 315 O TRP 20 6.775 -18.912 27.121 1.00 13.52 ATOM 316 N LEU 21 8.710 -19.826 26.434 1.00 73.10 ATOM 317 HN LEU 21 9.370 -19.902 25.709 1.00 37.06 ATOM 318 CA LEU 21 8.895 -20.616 27.659 1.00 11.23 ATOM 319 HA LEU 21 8.018 -21.235 27.788 1.00 4.44 ATOM 320 CB LEU 21 10.126 -21.521 27.524 1.00 11.21 ATOM 321 HB1 LEU 21 10.243 -22.075 28.445 1.00 37.06 ATOM 322 HB2 LEU 21 10.996 -20.890 27.394 1.00 23.33 ATOM 323 CG LEU 21 10.081 -22.527 26.360 1.00 41.12 ATOM 324 HG LEU 21 9.997 -21.982 25.430 1.00 45.02 ATOM 325 CD1 LEU 21 11.368 -23.347 26.301 1.00 53.32 ATOM 326 HD11 LEU 21 12.209 -22.686 26.152 1.00 3.44 ATOM 327 HD12 LEU 21 11.312 -24.047 25.481 1.00 54.41 ATOM 328 HD13 LEU 21 11.496 -23.888 27.228 1.00 70.32 ATOM 329 CD2 LEU 21 8.863 -23.440 26.479 1.00 60.43 ATOM 330 HD21 LEU 21 8.909 -23.989 27.409 1.00 71.43 ATOM 331 HD22 LEU 21 8.850 -24.135 25.652 1.00 61.31 ATOM 332 HD23 LEU 21 7.961 -22.844 26.458 1.00 2.21 ATOM 333 C LEU 21 9.044 -19.708 28.896 1.00 65.43 ATOM 334 O LEU 21 8.565 -20.030 29.990 1.00 61.34 ATOM 335 N ILE 22 9.708 -18.571 28.711 1.00 54.15 ATOM 336 HN ILE 22 10.087 -18.382 27.824 1.00 37.06 ATOM 337 CA ILE 22 9.906 -17.599 29.789 1.00 45.54 ATOM 338 HA ILE 22 10.326 -18.125 30.636 1.00 41.23 ATOM 339 CB ILE 22 10.908 -16.492 29.363 1.00 30.32 ATOM 340 HB ILE 22 10.501 -15.985 28.500 1.00 53.34 ATOM 341 CG1 ILE 22 12.260 -17.116 28.983 1.00 53.53 ATOM 342 HG11 ILE 22 12.099 -17.878 28.233 1.00 37.06 ATOM 343 HG12 ILE 22 12.701 -17.571 29.858 1.00 54.45 ATOM 344 CG2 ILE 22 11.086 -15.456 30.476 1.00 12.44 ATOM 345 HG21 ILE 22 11.479 -15.938 31.360 1.00 33.33 ATOM 346 HG22 ILE 22 10.131 -15.007 30.707 1.00 4.30 ATOM 347 HG23 ILE 22 11.772 -14.689 30.148 1.00 22.41 ATOM 348 CD1 ILE 22 13.260 -16.125 28.427 1.00 45.13 ATOM 349 HD11 ILE 22 12.855 -15.665 27.537 1.00 51.22 ATOM 350 HD12 ILE 22 14.176 -16.641 28.179 1.00 71.11 ATOM 351 HD13 ILE 22 13.464 -15.364 29.166 1.00 61.11 ATOM 352 C ILE 22 8.577 -16.947 30.220 1.00 21.51 ATOM 353 O ILE 22 8.242 -16.924 31.407 1.00 21.31 ATOM 354 N THR 23 7.817 -16.437 29.248 1.00 32.21 ATOM 355 HN THR 23 8.104 -16.544 28.315 1.00 37.06 ATOM 356 CA THR 23 6.565 -15.712 29.537 1.00 41.12 ATOM 357 HA THR 23 6.805 -14.933 30.248 1.00 62.54 ATOM 358 CB THR 23 5.979 -15.031 28.269 1.00 2.04 ATOM 359 HB THR 23 6.755 -14.427 27.817 1.00 41.31 ATOM 360 OG1 THR 23 4.880 -14.172 28.627 1.00 64.24 ATOM 361 HG1 THR 23 4.064 -14.688 28.681 1.00 50.33 ATOM 362 CG2 THR 23 5.507 -16.057 27.242 1.00 5.12 ATOM 363 HG21 THR 23 4.727 -16.669 27.673 1.00 2.32 ATOM 364 HG22 THR 23 6.337 -16.685 26.950 1.00 4.22 ATOM 365 HG23 THR 23 5.122 -15.546 26.372 1.00 1.43 ATOM 366 C THR 23 5.493 -16.619 30.162 1.00 22.20 ATOM 367 O THR 23 4.635 -16.151 30.915 1.00 1.43 ATOM 368 N LEU 24 5.531 -17.913 29.847 1.00 65.40 ATOM 369 HN LEU 24 6.182 -18.225 29.180 1.00 37.06 ATOM 370 CA LEU 24 4.607 -18.882 30.456 1.00 22.32 ATOM 371 HA LEU 24 3.619 -18.442 30.443 1.00 31.42 ATOM 372 CB LEU 24 4.579 -20.184 29.642 1.00 54.31 ATOM 373 HB1 LEU 24 4.032 -20.926 30.208 1.00 37.06 ATOM 374 HB2 LEU 24 5.597 -20.530 29.520 1.00 73.15 ATOM 375 CG LEU 24 3.935 -20.075 28.249 1.00 3.40 ATOM 376 HG LEU 24 4.477 -19.343 27.664 1.00 63.03 ATOM 377 CD1 LEU 24 4.014 -21.409 27.515 1.00 74.23 ATOM 378 HD11 LEU 24 3.561 -21.312 26.539 1.00 12.40 ATOM 379 HD12 LEU 24 3.491 -22.166 28.082 1.00 74.41 ATOM 380 HD13 LEU 24 5.049 -21.697 27.402 1.00 55.32 ATOM 381 CD2 LEU 24 2.484 -19.611 28.361 1.00 70.22 ATOM 382 HD21 LEU 24 2.062 -19.507 27.372 1.00 50.31 ATOM 383 HD22 LEU 24 2.447 -18.658 28.869 1.00 32.20 ATOM 384 HD23 LEU 24 1.914 -20.340 28.921 1.00 73.13 ATOM 385 C LEU 24 4.985 -19.180 31.917 1.00 40.24 ATOM 386 O LEU 24 4.135 -19.564 32.722 1.00 10.34 ATOM 387 N GLY 25 6.261 -18.987 32.254 1.00 64.12 ATOM 388 HN GLY 25 6.887 -18.652 31.579 1.00 37.06 ATOM 389 CA GLY 25 6.733 -19.242 33.613 1.00 30.14 ATOM 390 HA1 GLY 25 5.925 -19.053 34.307 1.00 37.06 ATOM 391 HA2 GLY 25 7.539 -18.558 33.831 1.00 44.43 ATOM 392 C GLY 25 7.239 -20.666 33.824 1.00 72.55 ATOM 393 O GLY 25 7.116 -21.219 34.916 1.00 21.24 ATOM 394 N VAL 26 7.802 -21.270 32.775 1.00 35.33 ATOM 395 HN VAL 26 7.824 -20.804 31.913 1.00 37.06 ATOM 396 CA VAL 26 8.372 -22.624 32.876 1.00 25.23 ATOM 397 HA VAL 26 8.129 -23.015 33.856 1.00 24.23 ATOM 398 CB VAL 26 7.760 -23.577 31.818 1.00 21.21 ATOM 399 HB VAL 26 8.174 -24.566 31.975 1.00 33.43 ATOM 400 CG1 VAL 26 6.247 -23.666 31.993 1.00 2.42 ATOM 401 HG11 VAL 26 5.810 -22.686 31.869 1.00 3.33 ATOM 402 HG12 VAL 26 6.019 -24.039 32.982 1.00 64.11 ATOM 403 HG13 VAL 26 5.837 -24.338 31.255 1.00 44.25 ATOM 404 CG2 VAL 26 8.115 -23.132 30.399 1.00 64.14 ATOM 405 HG21 VAL 26 7.657 -23.801 29.684 1.00 23.12 ATOM 406 HG22 VAL 26 9.188 -23.150 30.271 1.00 71.32 ATOM 407 HG23 VAL 26 7.751 -22.127 30.233 1.00 74.52 ATOM 408 C VAL 26 9.902 -22.610 32.727 1.00 33.13 ATOM 409 O VAL 26 10.590 -23.548 33.130 1.00 25.35 ATOM 410 N LEU 27 10.424 -21.536 32.142 1.00 71.30 ATOM 411 HN LEU 27 9.821 -20.837 31.816 1.00 37.06 ATOM 412 CA LEU 27 11.868 -21.357 31.967 1.00 14.33 ATOM 413 HA LEU 27 12.378 -22.108 32.555 1.00 41.41 ATOM 414 CB LEU 27 12.241 -21.535 30.485 1.00 75.31 ATOM 415 HB1 LEU 27 11.724 -20.774 29.915 1.00 37.06 ATOM 416 HB2 LEU 27 11.882 -22.502 30.161 1.00 70.55 ATOM 417 CG LEU 27 13.741 -21.443 30.155 1.00 60.41 ATOM 418 HG LEU 27 14.119 -20.489 30.498 1.00 64.13 ATOM 419 CD1 LEU 27 14.526 -22.540 30.874 1.00 41.34 ATOM 420 HD11 LEU 27 14.180 -23.510 30.544 1.00 74.42 ATOM 421 HD12 LEU 27 14.376 -22.450 31.939 1.00 73.53 ATOM 422 HD13 LEU 27 15.579 -22.438 30.650 1.00 21.14 ATOM 423 CD2 LEU 27 13.960 -21.519 28.646 1.00 12.42 ATOM 424 HD21 LEU 27 15.017 -21.463 28.431 1.00 15.55 ATOM 425 HD22 LEU 27 13.453 -20.694 28.167 1.00 71.25 ATOM 426 HD23 LEU 27 13.564 -22.451 28.267 1.00 13.25 ATOM 427 C LEU 27 12.294 -19.967 32.459 1.00 22.23 ATOM 428 O LEU 27 11.540 -18.999 32.330 1.00 32.21 ATOM 429 N GLU 28 13.490 -19.871 33.033 1.00 73.12 ATOM 430 HN GLU 28 14.050 -20.670 33.108 1.00 37.06 ATOM 431 CA GLU 28 13.991 -18.595 33.554 1.00 34.43 ATOM 432 HA GLU 28 13.165 -18.095 34.043 1.00 42.04 ATOM 433 CB GLU 28 15.105 -18.823 34.585 1.00 3.44 ATOM 434 HB1 GLU 28 14.712 -19.431 35.388 1.00 37.06 ATOM 435 HB2 GLU 28 15.401 -17.865 34.989 1.00 72.22 ATOM 436 CG GLU 28 16.350 -19.513 34.029 1.00 11.53 ATOM 437 HG1 GLU 28 16.662 -18.999 33.130 1.00 37.06 ATOM 438 HG2 GLU 28 16.103 -20.538 33.786 1.00 72.03 ATOM 439 CD GLU 28 17.505 -19.514 35.020 1.00 10.55 ATOM 440 OE1 GLU 28 17.395 -20.189 36.066 1.00 11.30 ATOM 441 OE2 GLU 28 18.524 -18.832 34.764 1.00 63.23 ATOM 442 C GLU 28 14.515 -17.685 32.432 1.00 75.54 ATOM 443 O GLU 28 14.853 -18.147 31.341 1.00 32.12 ATOM 444 N SER 29 14.587 -16.387 32.716 1.00 44.02 ATOM 445 HN SER 29 14.292 -16.077 33.600 1.00 37.06 ATOM 446 CA SER 29 15.101 -15.407 31.749 1.00 13.45 ATOM 447 HA SER 29 14.724 -15.676 30.773 1.00 2.32 ATOM 448 CB SER 29 14.604 -13.995 32.104 1.00 60.44 ATOM 449 HB1 SER 29 15.001 -13.705 33.067 1.00 37.06 ATOM 450 HB2 SER 29 13.524 -14.000 32.150 1.00 5.02 ATOM 451 OG SER 29 15.011 -13.038 31.134 1.00 11.42 ATOM 452 HG SER 29 15.933 -12.791 31.288 1.00 53.44 ATOM 453 C SER 29 16.639 -15.423 31.709 1.00 72.23 ATOM 454 O SER 29 17.296 -15.565 32.747 1.00 30.03 ATOM 455 N PRO 30 17.245 -15.272 30.513 1.00 21.34 ATOM 456 CA PRO 30 18.709 -15.286 30.366 1.00 72.54 ATOM 457 HA PRO 30 19.132 -16.197 30.770 1.00 74.23 ATOM 458 CB PRO 30 18.917 -15.255 28.844 1.00 40.24 ATOM 459 HB1 PRO 30 19.033 -16.263 28.472 1.00 37.06 ATOM 460 HB2 PRO 30 19.800 -14.674 28.604 1.00 74.22 ATOM 461 CG PRO 30 17.678 -14.618 28.310 1.00 4.32 ATOM 462 HG1 PRO 30 17.498 -14.949 27.297 1.00 37.06 ATOM 463 HG2 PRO 30 17.774 -13.541 28.342 1.00 33.10 ATOM 464 CD PRO 30 16.565 -15.073 29.216 1.00 12.54 ATOM 465 HD1 PRO 30 16.140 -16.001 28.859 1.00 37.06 ATOM 466 HD2 PRO 30 15.801 -14.311 29.289 1.00 74.33 ATOM 467 C PRO 30 19.389 -14.077 31.030 1.00 50.32 ATOM 468 O PRO 30 18.764 -13.038 31.259 1.00 34.41 ATOM 469 N LYS 31 20.669 -14.228 31.350 1.00 1.13 ATOM 470 HN LYS 31 21.101 -15.093 31.185 1.00 37.06 ATOM 471 CA LYS 31 21.460 -13.141 31.938 1.00 34.34 ATOM 472 HA LYS 31 20.785 -12.479 32.464 1.00 54.14 ATOM 473 CB LYS 31 22.476 -13.722 32.934 1.00 13.11 ATOM 474 HB1 LYS 31 22.904 -12.915 33.513 1.00 37.06 ATOM 475 HB2 LYS 31 23.265 -14.215 32.382 1.00 53.42 ATOM 476 CG LYS 31 21.860 -14.735 33.901 1.00 22.23 ATOM 477 HG1 LYS 31 22.624 -15.074 34.587 1.00 37.06 ATOM 478 HG2 LYS 31 21.490 -15.578 33.332 1.00 3.15 ATOM 479 CD LYS 31 20.704 -14.135 34.702 1.00 65.11 ATOM 480 HD1 LYS 31 20.016 -13.655 34.020 1.00 37.06 ATOM 481 HD2 LYS 31 21.097 -13.401 35.391 1.00 42.51 ATOM 482 CE LYS 31 19.948 -15.198 35.496 1.00 44.21 ATOM 483 HE1 LYS 31 19.222 -14.707 36.127 1.00 37.06 ATOM 484 HE2 LYS 31 20.650 -15.738 36.114 1.00 62.43 ATOM 485 NZ LYS 31 19.240 -16.168 34.612 1.00 65.43 ATOM 486 HZ1 LYS 31 19.918 -16.649 33.991 1.00 70.32 ATOM 487 HZ2 LYS 31 18.537 -15.675 34.025 1.00 31.31 ATOM 488 HZ3 LYS 31 18.746 -16.884 35.186 1.00 45.22 ATOM 489 C LYS 31 22.164 -12.348 30.827 1.00 63.52 ATOM 490 O LYS 31 22.440 -11.153 30.963 1.00 1.44 ATOM 491 N LYS 32 22.462 -13.043 29.731 1.00 62.34 ATOM 492 HN LYS 32 22.344 -14.016 29.747 1.00 37.06 ATOM 493 CA LYS 32 22.954 -12.416 28.498 1.00 75.44 ATOM 494 HA LYS 32 23.152 -11.373 28.701 1.00 5.35 ATOM 495 CB LYS 32 24.250 -13.096 28.013 1.00 33.02 ATOM 496 HB1 LYS 32 24.451 -12.773 27.000 1.00 37.06 ATOM 497 HB2 LYS 32 24.097 -14.167 28.008 1.00 22.15 ATOM 498 CG LYS 32 25.492 -12.802 28.856 1.00 34.24 ATOM 499 HG1 LYS 32 25.579 -11.732 28.982 1.00 37.06 ATOM 500 HG2 LYS 32 26.361 -13.171 28.331 1.00 50.02 ATOM 501 CD LYS 32 25.437 -13.460 30.234 1.00 64.02 ATOM 502 HD1 LYS 32 25.234 -14.515 30.111 1.00 37.06 ATOM 503 HD2 LYS 32 24.643 -13.006 30.809 1.00 71.35 ATOM 504 CE LYS 32 26.749 -13.295 30.991 1.00 21.11 ATOM 505 HE1 LYS 32 26.631 -13.703 31.984 1.00 37.06 ATOM 506 HE2 LYS 32 26.981 -12.242 31.062 1.00 53.23 ATOM 507 NZ LYS 32 27.873 -13.992 30.311 1.00 64.55 ATOM 508 HZ1 LYS 32 28.031 -13.584 29.366 1.00 53.15 ATOM 509 HZ2 LYS 32 27.658 -15.003 30.207 1.00 62.44 ATOM 510 HZ3 LYS 32 28.747 -13.896 30.868 1.00 75.33 ATOM 511 C LYS 32 21.888 -12.515 27.391 1.00 75.23 ATOM 512 O LYS 32 20.768 -12.970 27.628 1.00 23.12 ATOM 513 N THR 33 22.234 -12.077 26.187 1.00 2.12 ATOM 514 HN THR 33 23.082 -11.598 26.077 1.00 37.06 ATOM 515 CA THR 33 21.373 -12.282 25.016 1.00 43.24 ATOM 516 HA THR 33 20.344 -12.151 25.325 1.00 44.21 ATOM 517 CB THR 33 21.683 -11.255 23.897 1.00 70.12 ATOM 518 HB THR 33 22.725 -11.348 23.622 1.00 55.22 ATOM 519 OG1 THR 33 21.450 -9.922 24.378 1.00 20.42 ATOM 520 HG1 THR 33 22.118 -9.329 24.010 1.00 65.32 ATOM 521 CG2 THR 33 20.827 -11.502 22.656 1.00 11.21 ATOM 522 HG21 THR 33 21.019 -12.496 22.275 1.00 63.14 ATOM 523 HG22 THR 33 21.073 -10.774 21.896 1.00 25.43 ATOM 524 HG23 THR 33 19.782 -11.412 22.914 1.00 42.23 ATOM 525 C THR 33 21.555 -13.703 24.469 1.00 52.33 ATOM 526 O THR 33 22.674 -14.216 24.425 1.00 62.22 ATOM 527 N ILE 34 20.458 -14.346 24.071 1.00 31.23 ATOM 528 HN ILE 34 19.590 -13.889 24.125 1.00 37.06 ATOM 529 CA ILE 34 20.515 -15.719 23.554 1.00 63.22 ATOM 530 HA ILE 34 21.006 -16.332 24.301 1.00 52.31 ATOM 531 CB ILE 34 19.091 -16.293 23.320 1.00 2.11 ATOM 532 HB ILE 34 18.590 -15.663 22.598 1.00 13.33 ATOM 533 CG1 ILE 34 18.283 -16.296 24.629 1.00 1.34 ATOM 534 HG11 ILE 34 17.278 -16.642 24.425 1.00 37.06 ATOM 535 HG12 ILE 34 18.236 -15.291 25.019 1.00 4.23 ATOM 536 CG2 ILE 34 19.164 -17.705 22.740 1.00 24.45 ATOM 537 HG21 ILE 34 19.690 -18.352 23.426 1.00 71.44 ATOM 538 HG22 ILE 34 19.688 -17.681 21.795 1.00 32.44 ATOM 539 HG23 ILE 34 18.163 -18.084 22.585 1.00 71.01 ATOM 540 CD1 ILE 34 18.868 -17.185 25.712 1.00 23.31 ATOM 541 HD11 ILE 34 18.236 -17.148 26.587 1.00 40.24 ATOM 542 HD12 ILE 34 19.859 -16.840 25.969 1.00 62.15 ATOM 543 HD13 ILE 34 18.923 -18.203 25.353 1.00 15.34 ATOM 544 C ILE 34 21.325 -15.797 22.248 1.00 30.41 ATOM 545 O ILE 34 20.824 -15.477 21.166 1.00 42.12 ATOM 546 N SER 35 22.585 -16.212 22.362 1.00 42.14 ATOM 547 HN SER 35 22.927 -16.448 23.252 1.00 37.06 ATOM 548 CA SER 35 23.479 -16.320 21.200 1.00 73.51 ATOM 549 HA SER 35 23.361 -15.422 20.607 1.00 54.21 ATOM 550 CB SER 35 24.943 -16.424 21.655 1.00 55.30 ATOM 551 HB1 SER 35 25.587 -16.438 20.787 1.00 37.06 ATOM 552 HB2 SER 35 25.081 -17.336 22.217 1.00 20.22 ATOM 553 OG SER 35 25.311 -15.324 22.477 1.00 64.34 ATOM 554 HG SER 35 25.529 -14.565 21.920 1.00 60.04 ATOM 555 C SER 35 23.120 -17.533 20.334 1.00 70.11 ATOM 556 O SER 35 23.126 -17.459 19.105 1.00 54.21 ATOM 557 N ASP 36 22.823 -18.650 20.990 1.00 12.44 ATOM 558 HN ASP 36 22.887 -18.654 21.968 1.00 37.06 ATOM 559 CA ASP 36 22.417 -19.881 20.307 1.00 13.35 ATOM 560 HA ASP 36 22.285 -19.651 19.257 1.00 12.34 ATOM 561 CB ASP 36 23.520 -20.940 20.445 1.00 64.12 ATOM 562 HB1 ASP 36 23.749 -21.072 21.494 1.00 37.06 ATOM 563 HB2 ASP 36 24.404 -20.589 19.934 1.00 54.25 ATOM 564 CG ASP 36 23.143 -22.292 19.861 1.00 53.53 ATOM 565 OD1 ASP 36 22.311 -22.347 18.930 1.00 34.42 ATOM 566 OD2 ASP 36 23.698 -23.312 20.324 1.00 70.04 ATOM 567 C ASP 36 21.079 -20.399 20.869 1.00 14.13 ATOM 568 O ASP 36 21.047 -21.123 21.866 1.00 1.54 ATOM 569 N PRO 37 19.951 -20.018 20.237 1.00 15.45 ATOM 570 CA PRO 37 18.609 -20.417 20.698 1.00 73.32 ATOM 571 HA PRO 37 18.442 -20.107 21.721 1.00 12.34 ATOM 572 CB PRO 37 17.669 -19.635 19.767 1.00 50.22 ATOM 573 HB1 PRO 37 17.363 -18.717 20.250 1.00 37.06 ATOM 574 HB2 PRO 37 16.797 -20.232 19.540 1.00 64.12 ATOM 575 CG PRO 37 18.483 -19.361 18.546 1.00 55.34 ATOM 576 HG1 PRO 37 18.126 -18.465 18.057 1.00 37.06 ATOM 577 HG2 PRO 37 18.428 -20.204 17.871 1.00 11.03 ATOM 578 CD PRO 37 19.893 -19.169 19.031 1.00 2.43 ATOM 579 HD1 PRO 37 20.073 -18.132 19.280 1.00 37.06 ATOM 580 HD2 PRO 37 20.600 -19.507 18.284 1.00 31.23 ATOM 581 C PRO 37 18.359 -21.927 20.588 1.00 33.44 ATOM 582 O PRO 37 17.789 -22.538 21.493 1.00 25.32 ATOM 583 N GLU 38 18.801 -22.525 19.484 1.00 1.01 ATOM 584 HN GLU 38 19.282 -21.993 18.816 1.00 37.06 ATOM 585 CA GLU 38 18.604 -23.957 19.241 1.00 73.04 ATOM 586 HA GLU 38 17.544 -24.160 19.325 1.00 44.02 ATOM 587 CB GLU 38 19.063 -24.307 17.817 1.00 1.13 ATOM 588 HB1 GLU 38 18.924 -25.367 17.655 1.00 37.06 ATOM 589 HB2 GLU 38 20.115 -24.071 17.721 1.00 10.32 ATOM 590 CG GLU 38 18.297 -23.549 16.731 1.00 63.42 ATOM 591 HG1 GLU 38 18.353 -22.490 16.943 1.00 37.06 ATOM 592 HG2 GLU 38 17.262 -23.860 16.758 1.00 32.14 ATOM 593 CD GLU 38 18.836 -23.793 15.329 1.00 51.43 ATOM 594 OE1 GLU 38 18.357 -24.728 14.651 1.00 2.22 ATOM 595 OE2 GLU 38 19.727 -23.029 14.892 1.00 4.14 ATOM 596 C GLU 38 19.349 -24.808 20.283 1.00 71.33 ATOM 597 O GLU 38 18.795 -25.763 20.834 1.00 1.01 ATOM 598 N GLY 39 20.599 -24.444 20.560 1.00 31.44 ATOM 599 HN GLY 39 21.005 -23.697 20.064 1.00 37.06 ATOM 600 CA GLY 39 21.375 -25.142 21.580 1.00 62.42 ATOM 601 HA1 GLY 39 22.405 -24.823 21.510 1.00 37.06 ATOM 602 HA2 GLY 39 21.328 -26.205 21.388 1.00 55.12 ATOM 603 C GLY 39 20.874 -24.873 22.999 1.00 4.55 ATOM 604 O GLY 39 20.862 -25.775 23.844 1.00 14.21 ATOM 605 N PHE 40 20.464 -23.630 23.262 1.00 30.51 ATOM 606 HN PHE 40 20.535 -22.948 22.560 1.00 37.06 ATOM 607 CA PHE 40 19.924 -23.248 24.574 1.00 10.04 ATOM 608 HA PHE 40 20.679 -23.467 25.315 1.00 53.13 ATOM 609 CB PHE 40 19.621 -21.743 24.607 1.00 4.14 ATOM 610 HB1 PHE 40 18.919 -21.506 23.818 1.00 37.06 ATOM 611 HB2 PHE 40 20.537 -21.195 24.438 1.00 64.43 ATOM 612 CG PHE 40 19.032 -21.271 25.915 1.00 1.21 ATOM 613 CD1 PHE 40 19.823 -21.173 27.049 1.00 41.13 ATOM 614 HD1 PHE 40 20.870 -21.435 26.990 1.00 52.15 ATOM 615 CD2 PHE 40 17.690 -20.929 26.008 1.00 51.12 ATOM 616 HD2 PHE 40 17.060 -21.001 25.132 1.00 62.24 ATOM 617 CE1 PHE 40 19.290 -20.745 28.249 1.00 32.21 ATOM 618 HE1 PHE 40 19.917 -20.675 29.124 1.00 2.13 ATOM 619 CE2 PHE 40 17.152 -20.500 27.207 1.00 0.23 ATOM 620 HE2 PHE 40 16.106 -20.236 27.267 1.00 34.31 ATOM 621 CZ PHE 40 17.953 -20.408 28.329 1.00 23.32 ATOM 622 HZ PHE 40 17.535 -20.073 29.268 1.00 75.12 ATOM 623 C PHE 40 18.655 -24.047 24.914 1.00 73.04 ATOM 624 O PHE 40 18.519 -24.575 26.022 1.00 34.42 ATOM 625 N LEU 41 17.728 -24.129 23.960 1.00 60.21 ATOM 626 HN LEU 41 17.876 -23.658 23.110 1.00 37.06 ATOM 627 CA LEU 41 16.491 -24.896 24.148 1.00 62.44 ATOM 628 HA LEU 41 15.982 -24.487 25.009 1.00 35.21 ATOM 629 CB LEU 41 15.577 -24.754 22.924 1.00 62.51 ATOM 630 HB1 LEU 41 14.753 -25.445 23.030 1.00 37.06 ATOM 631 HB2 LEU 41 16.145 -25.033 22.045 1.00 10.24 ATOM 632 CG LEU 41 14.998 -23.348 22.699 1.00 65.55 ATOM 633 HG LEU 41 15.812 -22.643 22.618 1.00 52.23 ATOM 634 CD1 LEU 41 14.205 -23.293 21.398 1.00 34.32 ATOM 635 HD11 LEU 41 13.807 -22.298 21.261 1.00 22.21 ATOM 636 HD12 LEU 41 13.393 -24.005 21.437 1.00 74.10 ATOM 637 HD13 LEU 41 14.856 -23.535 20.570 1.00 21.13 ATOM 638 CD2 LEU 41 14.126 -22.925 23.881 1.00 1.53 ATOM 639 HD21 LEU 41 14.729 -22.874 24.776 1.00 11.44 ATOM 640 HD22 LEU 41 13.332 -23.646 24.024 1.00 42.50 ATOM 641 HD23 LEU 41 13.696 -21.954 23.682 1.00 12.34 ATOM 642 C LEU 41 16.785 -26.380 24.416 1.00 11.23 ATOM 643 O LEU 41 16.279 -26.953 25.381 1.00 61.43 ATOM 644 N GLN 42 17.615 -26.986 23.567 1.00 73.42 ATOM 645 HN GLN 42 17.992 -26.469 22.820 1.00 37.06 ATOM 646 CA GLN 42 17.982 -28.404 23.708 1.00 24.42 ATOM 647 HA GLN 42 17.089 -28.991 23.544 1.00 12.31 ATOM 648 CB GLN 42 19.025 -28.775 22.633 1.00 71.41 ATOM 649 HB1 GLN 42 19.943 -28.243 22.846 1.00 37.06 ATOM 650 HB2 GLN 42 18.655 -28.446 21.672 1.00 41.52 ATOM 651 CG GLN 42 19.354 -30.270 22.521 1.00 55.03 ATOM 652 HG1 GLN 42 19.755 -30.459 21.535 1.00 37.06 ATOM 653 HG2 GLN 42 18.440 -30.833 22.642 1.00 24.04 ATOM 654 CD GLN 42 20.362 -30.767 23.553 1.00 52.21 ATOM 655 OE1 GLN 42 21.567 -30.706 23.341 1.00 33.20 ATOM 656 NE2 GLN 42 19.880 -31.292 24.660 1.00 42.44 ATOM 657 HE21 GLN 42 18.907 -31.339 24.767 1.00 22.11 ATOM 658 HE22 GLN 42 20.516 -31.616 25.329 1.00 3.12 ATOM 659 C GLN 42 18.515 -28.705 25.122 1.00 41.15 ATOM 660 O GLN 42 18.060 -29.642 25.783 1.00 41.32 ATOM 661 N ALA 43 19.470 -27.898 25.581 1.00 15.42 ATOM 662 HN ALA 43 19.790 -27.168 25.008 1.00 37.06 ATOM 663 CA ALA 43 20.065 -28.074 26.913 1.00 11.14 ATOM 664 HA ALA 43 20.431 -29.089 26.980 1.00 53.33 ATOM 665 CB ALA 43 21.253 -27.134 27.077 1.00 0.43 ATOM 666 HB1 ALA 43 21.969 -27.318 26.288 1.00 61.33 ATOM 667 HB2 ALA 43 21.721 -27.307 28.035 1.00 14.43 ATOM 668 HB3 ALA 43 20.914 -26.110 27.022 1.00 42.11 ATOM 669 C ALA 43 19.043 -27.844 28.043 1.00 14.25 ATOM 670 O ALA 43 19.002 -28.593 29.023 1.00 1.12 ATOM 671 N SER 44 18.217 -26.808 27.899 1.00 34.24 ATOM 672 HN SER 44 18.281 -26.263 27.085 1.00 37.06 ATOM 673 CA SER 44 17.218 -26.454 28.925 1.00 45.15 ATOM 674 HA SER 44 17.729 -26.411 29.877 1.00 61.54 ATOM 675 CB SER 44 16.610 -25.071 28.635 1.00 15.02 ATOM 676 HB1 SER 44 15.846 -24.853 29.368 1.00 37.06 ATOM 677 HB2 SER 44 16.168 -25.071 27.648 1.00 35.31 ATOM 678 OG SER 44 17.594 -24.048 28.689 1.00 4.21 ATOM 679 HG SER 44 17.979 -23.927 27.812 1.00 10.03 ATOM 680 C SER 44 16.092 -27.497 29.024 1.00 53.41 ATOM 681 O SER 44 15.569 -27.758 30.107 1.00 0.14 ATOM 682 N LEU 45 15.720 -28.091 27.891 1.00 61.13 ATOM 683 HN LEU 45 16.180 -27.857 27.056 1.00 37.06 ATOM 684 CA LEU 45 14.631 -29.081 27.852 1.00 45.34 ATOM 685 HA LEU 45 13.936 -28.845 28.646 1.00 33.51 ATOM 686 CB LEU 45 13.894 -28.990 26.506 1.00 73.23 ATOM 687 HB1 LEU 45 13.073 -29.693 26.522 1.00 37.06 ATOM 688 HB2 LEU 45 14.581 -29.285 25.724 1.00 12.53 ATOM 689 CG LEU 45 13.330 -27.600 26.154 1.00 42.24 ATOM 690 HG LEU 45 14.142 -26.885 26.134 1.00 4.34 ATOM 691 CD1 LEU 45 12.692 -27.612 24.767 1.00 60.53 ATOM 692 HD11 LEU 45 13.422 -27.928 24.036 1.00 12.24 ATOM 693 HD12 LEU 45 12.346 -26.618 24.519 1.00 31.01 ATOM 694 HD13 LEU 45 11.855 -28.296 24.759 1.00 4.21 ATOM 695 CD2 LEU 45 12.326 -27.140 27.209 1.00 62.14 ATOM 696 HD21 LEU 45 11.933 -26.171 26.935 1.00 61.24 ATOM 697 HD22 LEU 45 12.818 -27.068 28.168 1.00 52.35 ATOM 698 HD23 LEU 45 11.515 -27.851 27.274 1.00 65.23 ATOM 699 C LEU 45 15.149 -30.516 28.066 1.00 0.35 ATOM 700 O LEU 45 14.362 -31.457 28.170 1.00 24.22 ATOM 701 N LYS 46 16.471 -30.664 28.149 1.00 15.11 ATOM 702 HN LYS 46 17.033 -29.862 28.120 1.00 37.06 ATOM 703 CA LYS 46 17.124 -31.980 28.271 1.00 21.03 ATOM 704 HA LYS 46 16.984 -32.503 27.335 1.00 41.52 ATOM 705 CB LYS 46 18.631 -31.780 28.504 1.00 2.31 ATOM 706 HB1 LYS 46 18.771 -31.284 29.455 1.00 37.06 ATOM 707 HB2 LYS 46 19.020 -31.145 27.721 1.00 53.42 ATOM 708 CG LYS 46 19.444 -33.073 28.513 1.00 52.44 ATOM 709 HG1 LYS 46 19.450 -33.491 27.515 1.00 37.06 ATOM 710 HG2 LYS 46 18.981 -33.773 29.194 1.00 75.01 ATOM 711 CD LYS 46 20.885 -32.831 28.959 1.00 61.13 ATOM 712 HD1 LYS 46 20.879 -32.431 29.964 1.00 37.06 ATOM 713 HD2 LYS 46 21.342 -32.114 28.292 1.00 30.22 ATOM 714 CE LYS 46 21.712 -34.113 28.942 1.00 22.24 ATOM 715 HE1 LYS 46 21.158 -34.892 29.448 1.00 37.06 ATOM 716 HE2 LYS 46 22.638 -33.935 29.469 1.00 5.42 ATOM 717 NZ LYS 46 22.028 -34.566 27.560 1.00 54.13 ATOM 718 HZ1 LYS 46 22.486 -35.498 27.584 1.00 34.41 ATOM 719 HZ2 LYS 46 22.681 -33.893 27.107 1.00 72.23 ATOM 720 HZ3 LYS 46 21.164 -34.628 26.988 1.00 25.14 ATOM 721 C LYS 46 16.532 -32.838 29.411 1.00 21.01 ATOM 722 O LYS 46 16.289 -34.032 29.240 1.00 42.32 ATOM 723 N ASP 47 16.305 -32.222 30.570 1.00 53.52 ATOM 724 HN ASP 47 16.474 -31.260 30.639 1.00 37.06 ATOM 725 CA ASP 47 15.824 -32.949 31.755 1.00 2.45 ATOM 726 HA ASP 47 16.311 -33.915 31.760 1.00 1.12 ATOM 727 CB ASP 47 16.234 -32.196 33.022 1.00 30.11 ATOM 728 HB1 ASP 47 15.822 -32.700 33.886 1.00 37.06 ATOM 729 HB2 ASP 47 15.845 -31.188 32.980 1.00 22.04 ATOM 730 CG ASP 47 17.743 -32.127 33.174 1.00 65.51 ATOM 731 OD1 ASP 47 18.323 -33.026 33.820 1.00 71.40 ATOM 732 OD2 ASP 47 18.360 -31.182 32.638 1.00 2.52 ATOM 733 C ASP 47 14.300 -33.183 31.735 1.00 64.31 ATOM 734 O ASP 47 13.753 -33.835 32.629 1.00 31.44 ATOM 735 N GLY 48 13.616 -32.638 30.731 1.00 52.55 ATOM 736 HN GLY 48 14.090 -32.082 30.077 1.00 37.06 ATOM 737 CA GLY 48 12.181 -32.878 30.572 1.00 12.03 ATOM 738 HA1 GLY 48 11.992 -33.933 30.716 1.00 37.06 ATOM 739 HA2 GLY 48 11.904 -32.618 29.561 1.00 3.33 ATOM 740 C GLY 48 11.286 -32.091 31.536 1.00 23.35 ATOM 741 O GLY 48 10.136 -31.800 31.210 1.00 53.40 ATOM 742 N VAL 49 11.806 -31.746 32.716 1.00 32.44 ATOM 743 HN VAL 49 12.735 -31.982 32.910 1.00 37.06 ATOM 744 CA VAL 49 11.025 -31.029 33.740 1.00 43.50 ATOM 745 HA VAL 49 10.275 -31.712 34.115 1.00 23.44 ATOM 746 CB VAL 49 11.921 -30.593 34.927 1.00 32.23 ATOM 747 HB VAL 49 12.626 -29.857 34.563 1.00 32.31 ATOM 748 CG1 VAL 49 11.090 -29.942 36.033 1.00 12.41 ATOM 749 HG11 VAL 49 10.361 -30.650 36.404 1.00 50.34 ATOM 750 HG12 VAL 49 10.579 -29.075 35.641 1.00 2.10 ATOM 751 HG13 VAL 49 11.740 -29.639 36.843 1.00 33.22 ATOM 752 CG2 VAL 49 12.715 -31.779 35.469 1.00 14.54 ATOM 753 HG21 VAL 49 13.347 -31.449 36.281 1.00 42.23 ATOM 754 HG22 VAL 49 13.330 -32.192 34.682 1.00 5.40 ATOM 755 HG23 VAL 49 12.034 -32.538 35.827 1.00 74.44 ATOM 756 C VAL 49 10.320 -29.787 33.164 1.00 53.43 ATOM 757 O VAL 49 9.114 -29.598 33.350 1.00 63.31 ATOM 758 N VAL 50 11.081 -28.946 32.460 1.00 41.51 ATOM 759 HN VAL 50 12.042 -29.128 32.386 1.00 37.06 ATOM 760 CA VAL 50 10.528 -27.750 31.808 1.00 70.04 ATOM 761 HA VAL 50 10.133 -27.107 32.583 1.00 24.41 ATOM 762 CB VAL 50 11.631 -26.966 31.045 1.00 41.52 ATOM 763 HB VAL 50 12.012 -27.602 30.256 1.00 42.21 ATOM 764 CG1 VAL 50 11.061 -25.701 30.399 1.00 73.24 ATOM 765 HG11 VAL 50 11.848 -25.177 29.874 1.00 50.12 ATOM 766 HG12 VAL 50 10.650 -25.057 31.163 1.00 62.02 ATOM 767 HG13 VAL 50 10.282 -25.972 29.700 1.00 44.11 ATOM 768 CG2 VAL 50 12.792 -26.623 31.980 1.00 25.52 ATOM 769 HG21 VAL 50 12.435 -26.003 32.791 1.00 63.35 ATOM 770 HG22 VAL 50 13.555 -26.091 31.431 1.00 43.13 ATOM 771 HG23 VAL 50 13.211 -27.534 32.384 1.00 4.14 ATOM 772 C VAL 50 9.385 -28.110 30.837 1.00 41.30 ATOM 773 O VAL 50 8.402 -27.378 30.721 1.00 71.30 ATOM 774 N LEU 51 9.512 -29.253 30.161 1.00 12.54 ATOM 775 HN LEU 51 10.314 -29.798 30.298 1.00 37.06 ATOM 776 CA LEU 51 8.478 -29.729 29.232 1.00 33.21 ATOM 777 HA LEU 51 8.264 -28.931 28.536 1.00 50.30 ATOM 778 CB LEU 51 8.981 -30.952 28.452 1.00 3.13 ATOM 779 HB1 LEU 51 8.159 -31.337 27.864 1.00 37.06 ATOM 780 HB2 LEU 51 9.271 -31.709 29.167 1.00 64.44 ATOM 781 CG LEU 51 10.166 -30.699 27.508 1.00 4.04 ATOM 782 HG LEU 51 10.989 -30.287 28.075 1.00 43.04 ATOM 783 CD1 LEU 51 10.641 -32.009 26.884 1.00 63.32 ATOM 784 HD11 LEU 51 11.481 -31.814 26.233 1.00 14.34 ATOM 785 HD12 LEU 51 9.838 -32.451 26.311 1.00 4.30 ATOM 786 HD13 LEU 51 10.944 -32.692 27.664 1.00 62.04 ATOM 787 CD2 LEU 51 9.786 -29.692 26.423 1.00 71.44 ATOM 788 HD21 LEU 51 10.636 -29.515 25.780 1.00 74.14 ATOM 789 HD22 LEU 51 9.486 -28.761 26.884 1.00 5.11 ATOM 790 HD23 LEU 51 8.967 -30.082 25.836 1.00 74.52 ATOM 791 C LEU 51 7.188 -30.097 29.979 1.00 13.33 ATOM 792 O LEU 51 6.094 -29.682 29.595 1.00 12.13 ATOM 793 N CYS 52 7.323 -30.884 31.045 1.00 71.54 ATOM 794 HN CYS 52 8.217 -31.213 31.286 1.00 37.06 ATOM 795 CA CYS 52 6.171 -31.284 31.864 1.00 72.23 ATOM 796 HA CYS 52 5.499 -31.849 31.233 1.00 44.33 ATOM 797 CB CYS 52 6.626 -32.173 33.025 1.00 23.35 ATOM 798 HB1 CYS 52 5.758 -32.516 33.570 1.00 37.06 ATOM 799 HB2 CYS 52 7.256 -31.597 33.688 1.00 42.44 ATOM 800 SG CYS 52 7.564 -33.633 32.514 1.00 74.13 ATOM 801 HG CYS 52 7.107 -34.033 31.334 1.00 14.34 ATOM 802 C CYS 52 5.427 -30.055 32.406 1.00 65.13 ATOM 803 O CYS 52 4.201 -29.977 32.338 1.00 3.03 ATOM 804 N ARG 53 6.183 -29.093 32.937 1.00 33.31 ATOM 805 HN ARG 53 7.151 -29.236 33.017 1.00 37.06 ATOM 806 CA ARG 53 5.609 -27.824 33.405 1.00 14.11 ATOM 807 HA ARG 53 4.862 -28.054 34.153 1.00 23.24 ATOM 808 CB ARG 53 6.700 -26.949 34.042 1.00 15.23 ATOM 809 HB1 ARG 53 6.269 -25.995 34.310 1.00 37.06 ATOM 810 HB2 ARG 53 7.485 -26.787 33.316 1.00 54.12 ATOM 811 CG ARG 53 7.325 -27.561 35.293 1.00 73.15 ATOM 812 HG1 ARG 53 7.764 -28.514 35.032 1.00 37.06 ATOM 813 HG2 ARG 53 6.551 -27.712 36.032 1.00 10.14 ATOM 814 CD ARG 53 8.406 -26.664 35.888 1.00 62.01 ATOM 815 HD1 ARG 53 7.975 -25.697 36.109 1.00 37.06 ATOM 816 HD2 ARG 53 9.199 -26.545 35.162 1.00 44.24 ATOM 817 NE ARG 53 8.969 -27.224 37.117 1.00 14.31 ATOM 818 HE ARG 53 8.529 -28.009 37.501 1.00 71.41 ATOM 819 CZ ARG 53 10.014 -26.742 37.733 1.00 54.00 ATOM 820 NH1 ARG 53 10.641 -25.708 37.266 1.00 63.11 ATOM 821 HH11 ARG 53 10.328 -25.272 36.432 1.00 41.30 ATOM 822 HH12 ARG 53 11.440 -25.355 37.752 1.00 40.23 ATOM 823 NH2 ARG 53 10.432 -27.294 38.823 1.00 63.41 ATOM 824 HH21 ARG 53 9.957 -28.088 39.197 1.00 35.34 ATOM 825 HH22 ARG 53 11.233 -26.923 39.292 1.00 24.21 ATOM 826 C ARG 53 4.934 -27.068 32.249 1.00 51.10 ATOM 827 O ARG 53 3.839 -26.528 32.399 1.00 54.30 ATOM 828 N LEU 54 5.599 -27.049 31.095 1.00 2.05 ATOM 829 HN LEU 54 6.485 -27.467 31.054 1.00 37.06 ATOM 830 CA LEU 54 5.058 -26.422 29.883 1.00 31.15 ATOM 831 HA LEU 54 4.976 -25.361 30.069 1.00 12.02 ATOM 832 CB LEU 54 6.026 -26.652 28.712 1.00 44.24 ATOM 833 HB1 LEU 54 6.158 -27.718 28.591 1.00 37.06 ATOM 834 HB2 LEU 54 6.982 -26.221 28.978 1.00 62.34 ATOM 835 CG LEU 54 5.599 -26.066 27.356 1.00 22.32 ATOM 836 HG LEU 54 4.641 -26.483 27.079 1.00 42.55 ATOM 837 CD1 LEU 54 5.437 -24.551 27.445 1.00 1.41 ATOM 838 HD11 LEU 54 6.371 -24.103 27.752 1.00 0.41 ATOM 839 HD12 LEU 54 4.669 -24.311 28.167 1.00 54.24 ATOM 840 HD13 LEU 54 5.152 -24.161 26.478 1.00 4.42 ATOM 841 CD2 LEU 54 6.606 -26.443 26.270 1.00 45.30 ATOM 842 HD21 LEU 54 6.295 -26.019 25.326 1.00 4.43 ATOM 843 HD22 LEU 54 6.655 -27.518 26.180 1.00 64.14 ATOM 844 HD23 LEU 54 7.582 -26.059 26.532 1.00 24.43 ATOM 845 C LEU 54 3.665 -26.976 29.543 1.00 2.21 ATOM 846 O LEU 54 2.715 -26.219 29.325 1.00 10.44 ATOM 847 N LEU 55 3.549 -28.301 29.524 1.00 21.44 ATOM 848 HN LEU 55 4.339 -28.851 29.712 1.00 37.06 ATOM 849 CA LEU 55 2.277 -28.960 29.220 1.00 74.22 ATOM 850 HA LEU 55 1.894 -28.523 28.307 1.00 52.54 ATOM 851 CB LEU 55 2.499 -30.462 28.990 1.00 23.24 ATOM 852 HB1 LEU 55 2.822 -30.902 29.923 1.00 37.06 ATOM 853 HB2 LEU 55 3.294 -30.578 28.265 1.00 40.24 ATOM 854 CG LEU 55 1.270 -31.242 28.490 1.00 43.30 ATOM 855 HG LEU 55 0.479 -31.157 29.221 1.00 50.53 ATOM 856 CD1 LEU 55 0.754 -30.659 27.174 1.00 64.42 ATOM 857 HD11 LEU 55 0.445 -29.634 27.329 1.00 71.24 ATOM 858 HD12 LEU 55 -0.089 -31.238 26.829 1.00 13.30 ATOM 859 HD13 LEU 55 1.539 -30.690 26.431 1.00 2.23 ATOM 860 CD2 LEU 55 1.604 -32.723 28.327 1.00 53.24 ATOM 861 HD21 LEU 55 1.963 -33.117 29.267 1.00 63.44 ATOM 862 HD22 LEU 55 2.366 -32.842 27.572 1.00 14.41 ATOM 863 HD23 LEU 55 0.716 -33.261 28.030 1.00 21.23 ATOM 864 C LEU 55 1.244 -28.734 30.340 1.00 5.15 ATOM 865 O LEU 55 0.059 -28.579 30.070 1.00 24.02 ATOM 866 N GLU 56 1.702 -28.699 31.592 1.00 53.13 ATOM 867 HN GLU 56 2.658 -28.851 31.754 1.00 37.06 ATOM 868 CA GLU 56 0.810 -28.454 32.740 1.00 1.12 ATOM 869 HA GLU 56 -0.074 -29.061 32.597 1.00 44.13 ATOM 870 CB GLU 56 1.489 -28.887 34.049 1.00 63.44 ATOM 871 HB1 GLU 56 0.925 -28.496 34.884 1.00 37.06 ATOM 872 HB2 GLU 56 2.486 -28.468 34.077 1.00 31.43 ATOM 873 CG GLU 56 1.603 -30.402 34.215 1.00 3.41 ATOM 874 HG1 GLU 56 2.228 -30.607 35.074 1.00 37.06 ATOM 875 HG2 GLU 56 2.068 -30.813 33.331 1.00 53.10 ATOM 876 CD GLU 56 0.255 -31.087 34.417 1.00 31.12 ATOM 877 OE1 GLU 56 -0.435 -31.375 33.418 1.00 43.34 ATOM 878 OE2 GLU 56 -0.120 -31.341 35.583 1.00 2.31 ATOM 879 C GLU 56 0.368 -26.983 32.833 1.00 63.30 ATOM 880 O GLU 56 -0.529 -26.644 33.605 1.00 44.12 ATOM 881 N ARG 57 1.012 -26.107 32.067 1.00 15.23 ATOM 882 HN ARG 57 1.803 -26.405 31.567 1.00 37.06 ATOM 883 CA ARG 57 0.586 -24.705 31.969 1.00 51.31 ATOM 884 HA ARG 57 0.210 -24.403 32.938 1.00 55.04 ATOM 885 CB ARG 57 1.778 -23.808 31.598 1.00 73.41 ATOM 886 HB1 ARG 57 1.405 -22.838 31.298 1.00 37.06 ATOM 887 HB2 ARG 57 2.299 -24.253 30.761 1.00 55.44 ATOM 888 CG ARG 57 2.782 -23.604 32.728 1.00 2.53 ATOM 889 HG1 ARG 57 3.596 -22.992 32.364 1.00 37.06 ATOM 890 HG2 ARG 57 3.167 -24.567 33.035 1.00 35.32 ATOM 891 CD ARG 57 2.147 -22.920 33.936 1.00 60.43 ATOM 892 HD1 ARG 57 2.916 -22.740 34.675 1.00 37.06 ATOM 893 HD2 ARG 57 1.398 -23.577 34.353 1.00 63.23 ATOM 894 NE ARG 57 1.517 -21.647 33.584 1.00 53.05 ATOM 895 HE ARG 57 1.631 -21.324 32.669 1.00 71.23 ATOM 896 CZ ARG 57 0.807 -20.924 34.410 1.00 14.24 ATOM 897 NH1 ARG 57 0.618 -21.306 35.632 1.00 41.33 ATOM 898 HH11 ARG 57 1.016 -22.160 35.956 1.00 41.13 ATOM 899 HH12 ARG 57 0.070 -20.744 36.249 1.00 3.34 ATOM 900 NH2 ARG 57 0.284 -19.813 34.008 1.00 54.21 ATOM 901 HH21 ARG 57 0.421 -19.508 33.068 1.00 33.21 ATOM 902 HH22 ARG 57 -0.260 -19.268 34.640 1.00 72.54 ATOM 903 C ARG 57 -0.538 -24.540 30.935 1.00 72.40 ATOM 904 O ARG 57 -1.554 -23.894 31.196 1.00 21.12 ATOM 905 N LEU 58 -0.344 -25.129 29.761 1.00 11.01 ATOM 906 HN LEU 58 0.488 -25.624 29.612 1.00 37.06 ATOM 907 CA LEU 58 -1.328 -25.045 28.675 1.00 31.24 ATOM 908 HA LEU 58 -1.744 -24.048 28.684 1.00 73.50 ATOM 909 CB LEU 58 -0.621 -25.272 27.332 1.00 41.32 ATOM 910 HB1 LEU 58 -1.349 -25.168 26.540 1.00 37.06 ATOM 911 HB2 LEU 58 -0.238 -26.284 27.316 1.00 63.11 ATOM 912 CG LEU 58 0.545 -24.305 27.046 1.00 65.44 ATOM 913 HG LEU 58 1.274 -24.396 27.839 1.00 31.32 ATOM 914 CD1 LEU 58 1.242 -24.660 25.736 1.00 53.41 ATOM 915 HD11 LEU 58 2.058 -23.972 25.564 1.00 30.43 ATOM 916 HD12 LEU 58 0.538 -24.593 24.920 1.00 20.42 ATOM 917 HD13 LEU 58 1.629 -25.667 25.796 1.00 23.53 ATOM 918 CD2 LEU 58 0.057 -22.855 27.025 1.00 52.23 ATOM 919 HD21 LEU 58 0.891 -22.197 26.826 1.00 52.20 ATOM 920 HD22 LEU 58 -0.374 -22.606 27.985 1.00 64.21 ATOM 921 HD23 LEU 58 -0.688 -22.734 26.253 1.00 13.01 ATOM 922 C LEU 58 -2.477 -26.055 28.867 1.00 41.40 ATOM 923 O LEU 58 -3.649 -25.721 28.680 1.00 11.33 ATOM 924 N LEU 59 -2.132 -27.284 29.245 1.00 32.31 ATOM 925 HN LEU 59 -1.183 -27.496 29.335 1.00 37.06 ATOM 926 CA LEU 59 -3.122 -28.338 29.533 1.00 3.30 ATOM 927 HA LEU 59 -4.109 -27.897 29.480 1.00 20.21 ATOM 928 CB LEU 59 -3.022 -29.466 28.488 1.00 72.45 ATOM 929 HB1 LEU 59 -3.677 -30.270 28.795 1.00 37.06 ATOM 930 HB2 LEU 59 -2.006 -29.836 28.494 1.00 14.50 ATOM 931 CG LEU 59 -3.383 -29.078 27.044 1.00 30.14 ATOM 932 HG LEU 59 -2.765 -28.245 26.735 1.00 11.44 ATOM 933 CD1 LEU 59 -3.111 -30.240 26.091 1.00 71.13 ATOM 934 HD11 LEU 59 -3.730 -31.084 26.363 1.00 32.02 ATOM 935 HD12 LEU 59 -2.071 -30.522 26.156 1.00 63.02 ATOM 936 HD13 LEU 59 -3.338 -29.937 25.080 1.00 21.43 ATOM 937 CD2 LEU 59 -4.844 -28.642 26.950 1.00 13.44 ATOM 938 HD21 LEU 59 -5.484 -29.449 27.278 1.00 63.15 ATOM 939 HD22 LEU 59 -5.080 -28.390 25.926 1.00 41.42 ATOM 940 HD23 LEU 59 -5.004 -27.777 27.578 1.00 5.20 ATOM 941 C LEU 59 -2.916 -28.929 30.946 1.00 25.35 ATOM 942 O LEU 59 -2.429 -30.054 31.089 1.00 3.31 ATOM 943 N PRO 60 -3.287 -28.182 32.007 1.00 34.11 ATOM 944 CA PRO 60 -3.073 -28.618 33.404 1.00 52.15 ATOM 945 HA PRO 60 -2.022 -28.783 33.601 1.00 25.25 ATOM 946 CB PRO 60 -3.560 -27.417 34.235 1.00 20.41 ATOM 947 HB1 PRO 60 -2.714 -26.809 34.524 1.00 37.06 ATOM 948 HB2 PRO 60 -4.073 -27.765 35.122 1.00 62.22 ATOM 949 CG PRO 60 -4.481 -26.669 33.330 1.00 32.34 ATOM 950 HG1 PRO 60 -4.481 -25.620 33.589 1.00 37.06 ATOM 951 HG2 PRO 60 -5.481 -27.073 33.409 1.00 10.15 ATOM 952 CD PRO 60 -3.945 -26.865 31.937 1.00 65.13 ATOM 953 HD1 PRO 60 -3.230 -26.092 31.692 1.00 37.06 ATOM 954 HD2 PRO 60 -4.752 -26.877 31.218 1.00 30.33 ATOM 955 C PRO 60 -3.856 -29.892 33.773 1.00 11.44 ATOM 956 O PRO 60 -5.019 -30.064 33.383 1.00 11.21 ATOM 957 N GLY 61 -3.206 -30.786 34.517 1.00 13.51 ATOM 958 HN GLY 61 -2.270 -30.612 34.762 1.00 37.06 ATOM 959 CA GLY 61 -3.850 -32.020 34.963 1.00 15.32 ATOM 960 HA1 GLY 61 -4.921 -31.878 34.962 1.00 37.06 ATOM 961 HA2 GLY 61 -3.531 -32.229 35.973 1.00 43.14 ATOM 962 C GLY 61 -3.512 -33.225 34.087 1.00 14.13 ATOM 963 O GLY 61 -3.991 -34.337 34.330 1.00 14.15 ATOM 964 N THR 62 -2.679 -33.005 33.073 1.00 51.40 ATOM 965 HN THR 62 -2.300 -32.105 32.958 1.00 37.06 ATOM 966 CA THR 62 -2.286 -34.066 32.136 1.00 13.14 ATOM 967 HA THR 62 -3.135 -34.723 32.001 1.00 71.34 ATOM 968 CB THR 62 -1.905 -33.479 30.752 1.00 21.15 ATOM 969 HB THR 62 -1.065 -32.809 30.879 1.00 41.42 ATOM 970 OG1 THR 62 -3.010 -32.735 30.212 1.00 74.52 ATOM 971 HG1 THR 62 -2.837 -31.789 30.317 1.00 15.44 ATOM 972 CG2 THR 62 -1.510 -34.575 29.767 1.00 14.41 ATOM 973 HG21 THR 62 -1.275 -34.130 28.810 1.00 60.52 ATOM 974 HG22 THR 62 -2.330 -35.268 29.648 1.00 10.40 ATOM 975 HG23 THR 62 -0.643 -35.103 30.140 1.00 74.14 ATOM 976 C THR 62 -1.107 -34.883 32.685 1.00 2.02 ATOM 977 O THR 62 -1.172 -36.114 32.767 1.00 74.12 ATOM 978 N ILE 63 -0.034 -34.195 33.075 1.00 42.33 ATOM 979 HN ILE 63 -0.035 -33.216 32.985 1.00 37.06 ATOM 980 CA ILE 63 1.138 -34.857 33.653 1.00 21.24 ATOM 981 HA ILE 63 1.334 -35.748 33.068 1.00 11.34 ATOM 982 CB ILE 63 2.397 -33.951 33.589 1.00 62.21 ATOM 983 HB ILE 63 2.212 -33.075 34.197 1.00 1.12 ATOM 984 CG1 ILE 63 2.663 -33.504 32.141 1.00 53.33 ATOM 985 HG11 ILE 63 3.530 -32.859 32.123 1.00 37.06 ATOM 986 HG12 ILE 63 1.807 -32.955 31.777 1.00 31.33 ATOM 987 CG2 ILE 63 3.617 -34.674 34.162 1.00 55.13 ATOM 988 HG21 ILE 63 4.485 -34.036 34.083 1.00 43.05 ATOM 989 HG22 ILE 63 3.790 -35.588 33.610 1.00 51.50 ATOM 990 HG23 ILE 63 3.441 -34.912 35.202 1.00 41.33 ATOM 991 CD1 ILE 63 2.916 -34.649 31.182 1.00 63.10 ATOM 992 HD11 ILE 63 3.103 -34.255 30.194 1.00 32.52 ATOM 993 HD12 ILE 63 2.049 -35.294 31.152 1.00 30.02 ATOM 994 HD13 ILE 63 3.775 -35.216 31.511 1.00 62.41 ATOM 995 C ILE 63 0.865 -35.274 35.108 1.00 4.20 ATOM 996 O ILE 63 1.079 -34.501 36.046 1.00 1.34 ATOM 997 N GLU 64 0.363 -36.497 35.276 1.00 24.55 ATOM 998 HN GLU 64 0.214 -37.057 34.486 1.00 37.06 ATOM 999 CA GLU 64 0.001 -37.025 36.598 1.00 71.21 ATOM 1000 HA GLU 64 -0.711 -36.344 37.042 1.00 75.30 ATOM 1001 CB GLU 64 -0.663 -38.399 36.440 1.00 14.13 ATOM 1002 HB1 GLU 64 0.060 -39.085 36.017 1.00 37.06 ATOM 1003 HB2 GLU 64 -1.494 -38.306 35.755 1.00 45.22 ATOM 1004 CG GLU 64 -1.184 -38.997 37.743 1.00 4.10 ATOM 1005 HG1 GLU 64 -1.905 -38.318 38.174 1.00 37.06 ATOM 1006 HG2 GLU 64 -0.354 -39.117 38.427 1.00 12.43 ATOM 1007 CD GLU 64 -1.849 -40.349 37.539 1.00 15.14 ATOM 1008 OE1 GLU 64 -1.237 -41.381 37.898 1.00 21.11 ATOM 1009 OE2 GLU 64 -2.982 -40.384 37.010 1.00 14.31 ATOM 1010 C GLU 64 1.223 -37.138 37.526 1.00 24.24 ATOM 1011 O GLU 64 1.146 -36.831 38.718 1.00 25.13 ATOM 1012 N LYS 65 2.346 -37.583 36.972 1.00 64.43 ATOM 1013 HN LYS 65 2.343 -37.819 36.022 1.00 37.06 ATOM 1014 CA LYS 65 3.593 -37.722 37.732 1.00 3.53 ATOM 1015 HA LYS 65 3.493 -37.149 38.645 1.00 10.53 ATOM 1016 CB LYS 65 3.834 -39.200 38.099 1.00 75.41 ATOM 1017 HB1 LYS 65 3.784 -39.796 37.198 1.00 37.06 ATOM 1018 HB2 LYS 65 3.052 -39.521 38.772 1.00 31.43 ATOM 1019 CG LYS 65 5.181 -39.467 38.774 1.00 63.35 ATOM 1020 HG1 LYS 65 5.974 -39.197 38.088 1.00 37.06 ATOM 1021 HG2 LYS 65 5.253 -40.520 39.009 1.00 45.43 ATOM 1022 CD LYS 65 5.344 -38.665 40.065 1.00 41.42 ATOM 1023 HD1 LYS 65 4.630 -39.024 40.793 1.00 37.06 ATOM 1024 HD2 LYS 65 5.153 -37.624 39.857 1.00 2.24 ATOM 1025 CE LYS 65 6.746 -38.798 40.642 1.00 2.44 ATOM 1026 HE1 LYS 65 7.463 -38.522 39.883 1.00 37.06 ATOM 1027 HE2 LYS 65 6.907 -39.827 40.931 1.00 71.33 ATOM 1028 NZ LYS 65 6.944 -37.930 41.831 1.00 15.04 ATOM 1029 HZ1 LYS 65 7.877 -38.111 42.254 1.00 53.02 ATOM 1030 HZ2 LYS 65 6.212 -38.122 42.542 1.00 54.04 ATOM 1031 HZ3 LYS 65 6.888 -36.925 41.560 1.00 24.43 ATOM 1032 C LYS 65 4.785 -37.171 36.938 1.00 54.23 ATOM 1033 O LYS 65 4.862 -37.340 35.720 1.00 2.34 ATOM 1034 N VAL 66 5.699 -36.502 37.634 1.00 64.35 ATOM 1035 HN VAL 66 5.548 -36.346 38.591 1.00 37.06 ATOM 1036 CA VAL 66 6.919 -35.974 37.020 1.00 61.22 ATOM 1037 HA VAL 66 7.170 -36.606 36.179 1.00 41.32 ATOM 1038 CB VAL 66 6.698 -34.528 36.498 1.00 5.14 ATOM 1039 HB VAL 66 5.869 -34.550 35.804 1.00 50.53 ATOM 1040 CG1 VAL 66 6.324 -33.582 37.638 1.00 44.24 ATOM 1041 HG11 VAL 66 7.125 -33.554 38.362 1.00 23.00 ATOM 1042 HG12 VAL 66 5.420 -33.932 38.116 1.00 25.41 ATOM 1043 HG13 VAL 66 6.160 -32.589 37.244 1.00 41.25 ATOM 1044 CG2 VAL 66 7.928 -34.021 35.744 1.00 13.50 ATOM 1045 HG21 VAL 66 8.134 -34.676 34.908 1.00 24.21 ATOM 1046 HG22 VAL 66 8.780 -34.008 36.408 1.00 10.54 ATOM 1047 HG23 VAL 66 7.742 -33.022 35.378 1.00 71.44 ATOM 1048 C VAL 66 8.088 -35.989 38.018 1.00 62.12 ATOM 1049 O VAL 66 7.883 -35.999 39.234 1.00 70.14 ATOM 1050 N TYR 67 9.315 -36.021 37.503 1.00 24.14 ATOM 1051 HN TYR 67 9.421 -36.110 36.531 1.00 37.06 ATOM 1052 CA TYR 67 10.512 -35.935 38.344 1.00 20.44 ATOM 1053 HA TYR 67 10.216 -36.124 39.367 1.00 43.05 ATOM 1054 CB TYR 67 11.542 -36.995 37.923 1.00 31.30 ATOM 1055 HB1 TYR 67 12.391 -36.951 38.591 1.00 37.06 ATOM 1056 HB2 TYR 67 11.874 -36.784 36.915 1.00 61.41 ATOM 1057 CG TYR 67 11.000 -38.414 37.950 1.00 30.30 ATOM 1058 CD1 TYR 67 11.192 -39.278 36.877 1.00 73.42 ATOM 1059 HD1 TYR 67 11.739 -38.931 36.013 1.00 61.32 ATOM 1060 CD2 TYR 67 10.291 -38.885 39.052 1.00 71.51 ATOM 1061 HD2 TYR 67 10.130 -38.227 39.895 1.00 52.22 ATOM 1062 CE1 TYR 67 10.696 -40.568 36.902 1.00 61.23 ATOM 1063 HE1 TYR 67 10.858 -41.224 36.059 1.00 50.32 ATOM 1064 CE2 TYR 67 9.792 -40.173 39.082 1.00 31.33 ATOM 1065 HE2 TYR 67 9.242 -40.518 39.947 1.00 4.43 ATOM 1066 CZ TYR 67 9.997 -41.010 38.006 1.00 45.35 ATOM 1067 OH TYR 67 9.503 -42.295 38.035 1.00 60.44 ATOM 1068 HH TYR 67 8.582 -42.277 38.320 1.00 3.22 ATOM 1069 C TYR 67 11.133 -34.530 38.259 1.00 74.32 ATOM 1070 O TYR 67 11.890 -34.235 37.331 1.00 4.12 ATOM 1071 N PRO 68 10.824 -33.643 39.231 1.00 33.12 ATOM 1072 CA PRO 68 11.325 -32.253 39.239 1.00 4.10 ATOM 1073 HA PRO 68 11.222 -31.784 38.270 1.00 55.14 ATOM 1074 CB PRO 68 10.393 -31.575 40.247 1.00 75.12 ATOM 1075 HB1 PRO 68 9.504 -31.222 39.743 1.00 37.06 ATOM 1076 HB2 PRO 68 10.901 -30.744 40.720 1.00 23.25 ATOM 1077 CG PRO 68 10.075 -32.658 41.221 1.00 42.30 ATOM 1078 HG1 PRO 68 9.141 -32.449 41.716 1.00 37.06 ATOM 1079 HG2 PRO 68 10.873 -32.748 41.947 1.00 10.53 ATOM 1080 CD PRO 68 9.964 -33.920 40.404 1.00 10.34 ATOM 1081 HD1 PRO 68 8.940 -34.087 40.099 1.00 37.06 ATOM 1082 HD2 PRO 68 10.334 -34.767 40.963 1.00 61.32 ATOM 1083 C PRO 68 12.786 -32.153 39.705 1.00 22.44 ATOM 1084 O PRO 68 13.314 -31.063 39.921 1.00 43.14 ATOM 1085 N GLU 69 13.417 -33.309 39.877 1.00 0.21 ATOM 1086 HN GLU 69 12.921 -34.135 39.715 1.00 37.06 ATOM 1087 CA GLU 69 14.810 -33.397 40.321 1.00 74.32 ATOM 1088 HA GLU 69 15.336 -32.530 39.946 1.00 60.44 ATOM 1089 CB GLU 69 14.848 -33.377 41.857 1.00 30.44 ATOM 1090 HB1 GLU 69 14.583 -32.386 42.199 1.00 37.06 ATOM 1091 HB2 GLU 69 15.851 -33.605 42.188 1.00 25.51 ATOM 1092 CG GLU 69 13.890 -34.376 42.501 1.00 62.54 ATOM 1093 HG1 GLU 69 14.218 -35.378 42.255 1.00 37.06 ATOM 1094 HG2 GLU 69 12.899 -34.218 42.098 1.00 54.33 ATOM 1095 CD GLU 69 13.825 -34.239 44.010 1.00 4.50 ATOM 1096 OE1 GLU 69 14.352 -35.122 44.719 1.00 31.10 ATOM 1097 OE2 GLU 69 13.250 -33.244 44.496 1.00 23.22 ATOM 1098 C GLU 69 15.491 -34.665 39.761 1.00 0.44 ATOM 1099 O GLU 69 15.853 -35.576 40.505 1.00 42.23 ATOM 1100 N PRO 70 15.671 -34.736 38.428 1.00 60.44 ATOM 1101 CA PRO 70 16.221 -35.926 37.763 1.00 71.13 ATOM 1102 HA PRO 70 15.834 -36.835 38.202 1.00 3.45 ATOM 1103 CB PRO 70 15.680 -35.779 36.338 1.00 72.24 ATOM 1104 HB1 PRO 70 14.702 -36.236 36.274 1.00 37.06 ATOM 1105 HB2 PRO 70 16.351 -36.259 35.639 1.00 34.24 ATOM 1106 CG PRO 70 15.608 -34.303 36.109 1.00 23.14 ATOM 1107 HG1 PRO 70 14.798 -34.077 35.427 1.00 37.06 ATOM 1108 HG2 PRO 70 16.545 -33.952 35.701 1.00 73.03 ATOM 1109 CD PRO 70 15.353 -33.666 37.458 1.00 30.35 ATOM 1110 HD1 PRO 70 14.317 -33.366 37.543 1.00 37.06 ATOM 1111 HD2 PRO 70 16.002 -32.813 37.601 1.00 24.21 ATOM 1112 C PRO 70 17.763 -35.977 37.768 1.00 14.13 ATOM 1113 O PRO 70 18.431 -35.083 37.245 1.00 23.21 ATOM 1114 N ARG 71 18.323 -37.035 38.359 1.00 51.41 ATOM 1115 HN ARG 71 17.743 -37.716 38.767 1.00 37.06 ATOM 1116 CA ARG 71 19.782 -37.211 38.418 1.00 15.20 ATOM 1117 HA ARG 71 20.231 -36.231 38.498 1.00 22.20 ATOM 1118 CB ARG 71 20.187 -38.043 39.649 1.00 33.32 ATOM 1119 HB1 ARG 71 21.223 -38.337 39.540 1.00 37.06 ATOM 1120 HB2 ARG 71 19.580 -38.936 39.674 1.00 23.45 ATOM 1121 CG ARG 71 20.039 -37.335 40.999 1.00 62.32 ATOM 1122 HG1 ARG 71 20.626 -36.427 40.980 1.00 37.06 ATOM 1123 HG2 ARG 71 20.418 -37.986 41.773 1.00 23.23 ATOM 1124 CD ARG 71 18.590 -36.979 41.327 1.00 43.03 ATOM 1125 HD1 ARG 71 17.953 -37.803 41.034 1.00 37.06 ATOM 1126 HD2 ARG 71 18.314 -36.098 40.765 1.00 33.44 ATOM 1127 NE ARG 71 18.399 -36.718 42.755 1.00 41.15 ATOM 1128 HE ARG 71 18.604 -37.445 43.375 1.00 1.20 ATOM 1129 CZ ARG 71 17.943 -35.600 43.254 1.00 71.20 ATOM 1130 NH1 ARG 71 17.719 -34.576 42.496 1.00 44.02 ATOM 1131 HH11 ARG 71 17.895 -34.631 41.515 1.00 31.41 ATOM 1132 HH12 ARG 71 17.370 -33.734 42.891 1.00 32.31 ATOM 1133 NH2 ARG 71 17.743 -35.504 44.525 1.00 74.54 ATOM 1134 HH21 ARG 71 17.937 -36.281 45.119 1.00 53.33 ATOM 1135 HH22 ARG 71 17.394 -34.653 44.914 1.00 14.14 ATOM 1136 C ARG 71 20.320 -37.895 37.148 1.00 21.45 ATOM 1137 O ARG 71 21.333 -37.472 36.583 1.00 14.03 ATOM 1138 N SER 72 19.643 -38.958 36.710 1.00 41.42 ATOM 1139 HN SER 72 18.817 -39.215 37.171 1.00 37.06 ATOM 1140 CA SER 72 20.100 -39.761 35.559 1.00 3.21 ATOM 1141 HA SER 72 20.999 -39.301 35.173 1.00 31.33 ATOM 1142 CB SER 72 20.440 -41.188 36.014 1.00 13.34 ATOM 1143 HB1 SER 72 20.750 -41.773 35.159 1.00 37.06 ATOM 1144 HB2 SER 72 19.564 -41.640 36.459 1.00 65.15 ATOM 1145 OG SER 72 21.492 -41.194 36.972 1.00 50.35 ATOM 1146 HG SER 72 21.565 -42.075 37.362 1.00 73.41 ATOM 1147 C SER 72 19.060 -39.807 34.425 1.00 11.21 ATOM 1148 O SER 72 17.932 -39.331 34.573 1.00 3.14 ATOM 1149 N GLU 73 19.445 -40.416 33.301 1.00 31.33 ATOM 1150 HN GLU 73 20.317 -40.869 33.284 1.00 37.06 ATOM 1151 CA GLU 73 18.615 -40.442 32.086 1.00 25.33 ATOM 1152 HA GLU 73 18.492 -39.420 31.756 1.00 55.10 ATOM 1153 CB GLU 73 19.328 -41.227 30.980 1.00 41.13 ATOM 1154 HB1 GLU 73 18.728 -41.184 30.081 1.00 37.06 ATOM 1155 HB2 GLU 73 19.418 -42.259 31.290 1.00 2.25 ATOM 1156 CG GLU 73 20.720 -40.707 30.650 1.00 32.55 ATOM 1157 HG1 GLU 73 21.360 -40.854 31.509 1.00 37.06 ATOM 1158 HG2 GLU 73 20.654 -39.650 30.432 1.00 61.21 ATOM 1159 CD GLU 73 21.335 -41.414 29.457 1.00 12.32 ATOM 1160 OE1 GLU 73 21.823 -42.554 29.617 1.00 35.04 ATOM 1161 OE2 GLU 73 21.327 -40.839 28.351 1.00 1.30 ATOM 1162 C GLU 73 17.223 -41.051 32.323 1.00 44.11 ATOM 1163 O GLU 73 16.213 -40.482 31.913 1.00 42.40 ATOM 1164 N SER 74 17.173 -42.207 32.980 1.00 50.13 ATOM 1165 HN SER 74 18.013 -42.609 33.297 1.00 37.06 ATOM 1166 CA SER 74 15.901 -42.910 33.234 1.00 21.53 ATOM 1167 HA SER 74 15.502 -43.211 32.275 1.00 14.24 ATOM 1168 CB SER 74 16.149 -44.168 34.078 1.00 4.23 ATOM 1169 HB1 SER 74 15.211 -44.671 34.259 1.00 37.06 ATOM 1170 HB2 SER 74 16.594 -43.885 35.020 1.00 23.42 ATOM 1171 OG SER 74 17.028 -45.066 33.412 1.00 43.53 ATOM 1172 HG SER 74 17.019 -45.919 33.865 1.00 52.43 ATOM 1173 C SER 74 14.864 -42.004 33.924 1.00 61.14 ATOM 1174 O SER 74 13.659 -42.245 33.837 1.00 54.24 ATOM 1175 N GLU 75 15.339 -40.963 34.606 1.00 33.33 ATOM 1176 HN GLU 75 16.310 -40.863 34.708 1.00 37.06 ATOM 1177 CA GLU 75 14.455 -39.961 35.215 1.00 3.11 ATOM 1178 HA GLU 75 13.559 -40.464 35.556 1.00 72.03 ATOM 1179 CB GLU 75 15.155 -39.313 36.418 1.00 2.00 ATOM 1180 HB1 GLU 75 14.513 -38.541 36.822 1.00 37.06 ATOM 1181 HB2 GLU 75 16.075 -38.858 36.079 1.00 30.31 ATOM 1182 CG GLU 75 15.488 -40.291 37.539 1.00 31.20 ATOM 1183 HG1 GLU 75 15.969 -41.159 37.108 1.00 37.06 ATOM 1184 HG2 GLU 75 14.569 -40.595 38.019 1.00 21.32 ATOM 1185 CD GLU 75 16.410 -39.692 38.589 1.00 32.04 ATOM 1186 OE1 GLU 75 17.623 -39.989 38.563 1.00 3.21 ATOM 1187 OE2 GLU 75 15.935 -38.912 39.438 1.00 70.44 ATOM 1188 C GLU 75 14.059 -38.880 34.189 1.00 40.51 ATOM 1189 O GLU 75 12.877 -38.686 33.898 1.00 73.52 ATOM 1190 N CYS 76 15.064 -38.199 33.635 1.00 14.43 ATOM 1191 HN CYS 76 15.984 -38.428 33.887 1.00 37.06 ATOM 1192 CA CYS 76 14.849 -37.113 32.663 1.00 22.42 ATOM 1193 HA CYS 76 14.329 -36.311 33.168 1.00 3.41 ATOM 1194 CB CYS 76 16.202 -36.592 32.163 1.00 74.54 ATOM 1195 HB1 CYS 76 16.040 -35.723 31.541 1.00 37.06 ATOM 1196 HB2 CYS 76 16.682 -37.362 31.577 1.00 54.34 ATOM 1197 SG CYS 76 17.352 -36.118 33.478 1.00 52.21 ATOM 1198 HG CYS 76 17.392 -34.793 33.530 1.00 31.51 ATOM 1199 C CYS 76 14.009 -37.578 31.462 1.00 50.15 ATOM 1200 O CYS 76 13.007 -36.956 31.107 1.00 62.53 ATOM 1201 N LEU 77 14.431 -38.682 30.846 1.00 71.51 ATOM 1202 HN LEU 77 15.235 -39.128 31.180 1.00 37.06 ATOM 1203 CA LEU 77 13.734 -39.250 29.686 1.00 23.24 ATOM 1204 HA LEU 77 13.779 -38.519 28.890 1.00 2.30 ATOM 1205 CB LEU 77 14.441 -40.532 29.216 1.00 42.40 ATOM 1206 HB1 LEU 77 13.858 -40.969 28.417 1.00 37.06 ATOM 1207 HB2 LEU 77 14.463 -41.229 30.043 1.00 31.31 ATOM 1208 CG LEU 77 15.881 -40.340 28.707 1.00 10.22 ATOM 1209 HG LEU 77 16.468 -39.869 29.483 1.00 14.10 ATOM 1210 CD1 LEU 77 16.527 -41.687 28.391 1.00 62.31 ATOM 1211 HD11 LEU 77 15.956 -42.192 27.625 1.00 61.31 ATOM 1212 HD12 LEU 77 16.546 -42.296 29.284 1.00 14.31 ATOM 1213 HD13 LEU 77 17.538 -41.531 28.043 1.00 31.34 ATOM 1214 CD2 LEU 77 15.902 -39.430 27.480 1.00 34.10 ATOM 1215 HD21 LEU 77 15.490 -38.465 27.740 1.00 62.53 ATOM 1216 HD22 LEU 77 15.310 -39.870 26.690 1.00 55.14 ATOM 1217 HD23 LEU 77 16.920 -39.304 27.138 1.00 33.23 ATOM 1218 C LEU 77 12.258 -39.544 29.998 1.00 15.14 ATOM 1219 O LEU 77 11.392 -39.350 29.148 1.00 23.43 ATOM 1220 N SER 78 11.979 -40.000 31.223 1.00 12.14 ATOM 1221 HN SER 78 12.714 -40.147 31.854 1.00 37.06 ATOM 1222 CA SER 78 10.597 -40.274 31.651 1.00 5.34 ATOM 1223 HA SER 78 10.188 -41.021 30.983 1.00 12.25 ATOM 1224 CB SER 78 10.565 -40.820 33.090 1.00 71.40 ATOM 1225 HB1 SER 78 10.901 -40.050 33.771 1.00 37.06 ATOM 1226 HB2 SER 78 11.225 -41.672 33.163 1.00 44.31 ATOM 1227 OG SER 78 9.255 -41.228 33.472 1.00 54.41 ATOM 1228 HG SER 78 8.597 -40.687 33.007 1.00 1.42 ATOM 1229 C SER 78 9.742 -39.003 31.557 1.00 64.21 ATOM 1230 O SER 78 8.652 -39.017 30.983 1.00 71.20 ATOM 1231 N ASN 79 10.264 -37.900 32.102 1.00 30.41 ATOM 1232 HN ASN 79 11.121 -37.967 32.575 1.00 37.06 ATOM 1233 CA ASN 79 9.592 -36.594 32.024 1.00 21.42 ATOM 1234 HA ASN 79 8.670 -36.660 32.582 1.00 75.35 ATOM 1235 CB ASN 79 10.477 -35.499 32.643 1.00 50.43 ATOM 1236 HB1 ASN 79 9.946 -34.557 32.610 1.00 37.06 ATOM 1237 HB2 ASN 79 11.386 -35.411 32.066 1.00 62.42 ATOM 1238 CG ASN 79 10.856 -35.781 34.089 1.00 64.14 ATOM 1239 OD1 ASN 79 10.121 -36.427 34.824 1.00 21.20 ATOM 1240 ND2 ASN 79 12.009 -35.296 34.513 1.00 24.13 ATOM 1241 HD21 ASN 79 12.558 -34.785 33.883 1.00 74.32 ATOM 1242 HD22 ASN 79 12.261 -35.461 35.444 1.00 74.12 ATOM 1243 C ASN 79 9.266 -36.223 30.565 1.00 25.21 ATOM 1244 O ASN 79 8.194 -35.688 30.264 1.00 75.12 ATOM 1245 N ILE 80 10.205 -36.515 29.665 1.00 42.23 ATOM 1246 HN ILE 80 11.047 -36.915 29.972 1.00 37.06 ATOM 1247 CA ILE 80 10.023 -36.247 28.236 1.00 65.43 ATOM 1248 HA ILE 80 9.731 -35.210 28.130 1.00 45.23 ATOM 1249 CB ILE 80 11.338 -36.463 27.441 1.00 3.33 ATOM 1250 HB ILE 80 11.604 -37.509 27.509 1.00 72.15 ATOM 1251 CG1 ILE 80 12.479 -35.616 28.037 1.00 61.05 ATOM 1252 HG11 ILE 80 12.614 -35.885 29.075 1.00 37.06 ATOM 1253 HG12 ILE 80 12.214 -34.570 27.975 1.00 23.42 ATOM 1254 CG2 ILE 80 11.134 -36.121 25.964 1.00 62.02 ATOM 1255 HG21 ILE 80 10.356 -36.748 25.550 1.00 4.11 ATOM 1256 HG22 ILE 80 12.054 -36.290 25.424 1.00 40.13 ATOM 1257 HG23 ILE 80 10.848 -35.083 25.868 1.00 43.11 ATOM 1258 CD1 ILE 80 13.812 -35.793 27.335 1.00 4.21 ATOM 1259 HD11 ILE 80 14.562 -35.195 27.831 1.00 51.25 ATOM 1260 HD12 ILE 80 13.723 -35.476 26.306 1.00 44.42 ATOM 1261 HD13 ILE 80 14.102 -36.834 27.367 1.00 40.12 ATOM 1262 C ILE 80 8.915 -37.132 27.633 1.00 3.44 ATOM 1263 O ILE 80 8.070 -36.646 26.881 1.00 71.43 ATOM 1264 N ARG 81 8.915 -38.427 27.974 1.00 2.25 ATOM 1265 HN ARG 81 9.605 -38.760 28.587 1.00 37.06 ATOM 1266 CA ARG 81 7.898 -39.361 27.455 1.00 10.04 ATOM 1267 HA ARG 81 8.023 -39.433 26.383 1.00 0.11 ATOM 1268 CB ARG 81 8.034 -40.756 28.075 1.00 71.23 ATOM 1269 HB1 ARG 81 7.369 -41.428 27.550 1.00 37.06 ATOM 1270 HB2 ARG 81 7.721 -40.698 29.105 1.00 33.13 ATOM 1271 CG ARG 81 9.430 -41.361 28.047 1.00 45.22 ATOM 1272 HG1 ARG 81 10.103 -40.720 28.597 1.00 37.06 ATOM 1273 HG2 ARG 81 9.761 -41.439 27.021 1.00 13.34 ATOM 1274 CD ARG 81 9.437 -42.752 28.681 1.00 21.13 ATOM 1275 HD1 ARG 81 10.460 -43.035 28.885 1.00 37.06 ATOM 1276 HD2 ARG 81 9.004 -43.455 27.982 1.00 11.40 ATOM 1277 NE ARG 81 8.672 -42.795 29.935 1.00 15.43 ATOM 1278 HE ARG 81 7.936 -42.157 30.042 1.00 51.02 ATOM 1279 CZ ARG 81 8.879 -43.645 30.899 1.00 30.14 ATOM 1280 NH1 ARG 81 9.854 -44.497 30.837 1.00 35.33 ATOM 1281 HH11 ARG 81 10.460 -44.504 30.044 1.00 61.23 ATOM 1282 HH12 ARG 81 9.992 -45.149 31.578 1.00 5.43 ATOM 1283 NH2 ARG 81 8.109 -43.633 31.935 1.00 11.45 ATOM 1284 HH21 ARG 81 7.359 -42.976 31.991 1.00 71.41 ATOM 1285 HH22 ARG 81 8.265 -44.277 32.679 1.00 50.20 ATOM 1286 C ARG 81 6.482 -38.857 27.765 1.00 71.30 ATOM 1287 O ARG 81 5.653 -38.708 26.871 1.00 42.54 ATOM 1288 N GLU 82 6.219 -38.617 29.050 1.00 74.34 ATOM 1289 HN GLU 82 6.928 -38.772 29.714 1.00 37.06 ATOM 1290 CA GLU 82 4.907 -38.144 29.508 1.00 75.20 ATOM 1291 HA GLU 82 4.190 -38.921 29.278 1.00 13.12 ATOM 1292 CB GLU 82 4.919 -37.926 31.033 1.00 63.24 ATOM 1293 HB1 GLU 82 4.123 -37.240 31.293 1.00 37.06 ATOM 1294 HB2 GLU 82 5.864 -37.481 31.312 1.00 43.33 ATOM 1295 CG GLU 82 4.733 -39.204 31.860 1.00 11.23 ATOM 1296 HG1 GLU 82 3.808 -39.675 31.560 1.00 37.06 ATOM 1297 HG2 GLU 82 4.660 -38.925 32.903 1.00 12.32 ATOM 1298 CD GLU 82 5.866 -40.218 31.711 1.00 44.42 ATOM 1299 OE1 GLU 82 6.696 -40.329 32.636 1.00 62.31 ATOM 1300 OE2 GLU 82 5.911 -40.933 30.686 1.00 51.11 ATOM 1301 C GLU 82 4.472 -36.861 28.779 1.00 4.20 ATOM 1302 O GLU 82 3.291 -36.682 28.475 1.00 35.35 ATOM 1303 N PHE 83 5.428 -35.974 28.501 1.00 1.54 ATOM 1304 HN PHE 83 6.337 -36.132 28.836 1.00 37.06 ATOM 1305 CA PHE 83 5.157 -34.764 27.709 1.00 74.12 ATOM 1306 HA PHE 83 4.366 -34.216 28.202 1.00 64.11 ATOM 1307 CB PHE 83 6.414 -33.879 27.645 1.00 32.24 ATOM 1308 HB1 PHE 83 7.247 -34.475 27.297 1.00 37.06 ATOM 1309 HB2 PHE 83 6.637 -33.514 28.638 1.00 42.33 ATOM 1310 CG PHE 83 6.281 -32.685 26.732 1.00 65.24 ATOM 1311 CD1 PHE 83 6.919 -32.661 25.496 1.00 11.14 ATOM 1312 HD1 PHE 83 7.514 -33.509 25.190 1.00 54.24 ATOM 1313 CD2 PHE 83 5.521 -31.586 27.106 1.00 14.03 ATOM 1314 HD2 PHE 83 5.017 -31.592 28.062 1.00 30.41 ATOM 1315 CE1 PHE 83 6.801 -31.567 24.661 1.00 51.44 ATOM 1316 HE1 PHE 83 7.302 -31.562 23.704 1.00 75.43 ATOM 1317 CE2 PHE 83 5.401 -30.490 26.273 1.00 53.20 ATOM 1318 HE2 PHE 83 4.809 -29.641 26.579 1.00 62.20 ATOM 1319 CZ PHE 83 6.043 -30.481 25.050 1.00 4.20 ATOM 1320 HZ PHE 83 5.950 -29.625 24.397 1.00 4.33 ATOM 1321 C PHE 83 4.694 -35.131 26.287 1.00 51.20 ATOM 1322 O PHE 83 3.690 -34.610 25.788 1.00 0.55 ATOM 1323 N LEU 84 5.433 -36.035 25.647 1.00 31.31 ATOM 1324 HN LEU 84 6.234 -36.389 26.092 1.00 37.06 ATOM 1325 CA LEU 84 5.092 -36.524 24.305 1.00 52.31 ATOM 1326 HA LEU 84 5.057 -35.673 23.640 1.00 44.23 ATOM 1327 CB LEU 84 6.175 -37.496 23.817 1.00 72.01 ATOM 1328 HB1 LEU 84 5.909 -37.833 22.824 1.00 37.06 ATOM 1329 HB2 LEU 84 6.183 -38.352 24.479 1.00 61.34 ATOM 1330 CG LEU 84 7.596 -36.915 23.763 1.00 15.10 ATOM 1331 HG LEU 84 7.851 -36.519 24.737 1.00 43.02 ATOM 1332 CD1 LEU 84 8.614 -38.001 23.423 1.00 5.22 ATOM 1333 HD11 LEU 84 8.367 -38.443 22.468 1.00 34.22 ATOM 1334 HD12 LEU 84 8.596 -38.764 24.187 1.00 34.22 ATOM 1335 HD13 LEU 84 9.603 -37.567 23.373 1.00 5.12 ATOM 1336 CD2 LEU 84 7.664 -35.767 22.758 1.00 73.40 ATOM 1337 HD21 LEU 84 6.955 -35.000 23.038 1.00 51.31 ATOM 1338 HD22 LEU 84 7.424 -36.134 21.770 1.00 72.45 ATOM 1339 HD23 LEU 84 8.660 -35.350 22.755 1.00 31.13 ATOM 1340 C LEU 84 3.720 -37.218 24.300 1.00 74.02 ATOM 1341 O LEU 84 2.911 -37.019 23.392 1.00 0.01 ATOM 1342 N ARG 85 3.472 -38.025 25.329 1.00 50.34 ATOM 1343 HN ARG 85 4.169 -38.152 26.004 1.00 37.06 ATOM 1344 CA ARG 85 2.200 -38.731 25.486 1.00 63.44 ATOM 1345 HA ARG 85 2.042 -39.330 24.599 1.00 3.22 ATOM 1346 CB ARG 85 2.264 -39.661 26.712 1.00 40.32 ATOM 1347 HB1 ARG 85 2.482 -39.065 27.588 1.00 37.06 ATOM 1348 HB2 ARG 85 3.068 -40.370 26.566 1.00 54.52 ATOM 1349 CG ARG 85 0.979 -40.446 26.976 1.00 42.32 ATOM 1350 HG1 ARG 85 0.750 -41.046 26.106 1.00 37.06 ATOM 1351 HG2 ARG 85 0.174 -39.748 27.154 1.00 22.45 ATOM 1352 CD ARG 85 1.115 -41.365 28.189 1.00 12.32 ATOM 1353 HD1 ARG 85 0.158 -41.830 28.378 1.00 37.06 ATOM 1354 HD2 ARG 85 1.398 -40.771 29.048 1.00 31.35 ATOM 1355 NE ARG 85 2.116 -42.411 27.976 1.00 73.54 ATOM 1356 HE ARG 85 1.921 -43.087 27.296 1.00 13.12 ATOM 1357 CZ ARG 85 3.243 -42.505 28.632 1.00 11.32 ATOM 1358 NH1 ARG 85 3.547 -41.644 29.551 1.00 21.34 ATOM 1359 HH11 ARG 85 2.920 -40.905 29.766 1.00 3.35 ATOM 1360 HH12 ARG 85 4.419 -41.722 30.039 1.00 61.15 ATOM 1361 NH2 ARG 85 4.061 -43.467 28.366 1.00 32.43 ATOM 1362 HH21 ARG 85 3.833 -44.137 27.663 1.00 42.43 ATOM 1363 HH22 ARG 85 4.924 -43.543 28.864 1.00 11.35 ATOM 1364 C ARG 85 1.033 -37.741 25.629 1.00 40.15 ATOM 1365 O ARG 85 0.006 -37.883 24.971 1.00 24.11 ATOM 1366 N GLY 86 1.207 -36.730 26.481 1.00 11.43 ATOM 1367 HN GLY 86 2.051 -36.661 26.975 1.00 37.06 ATOM 1368 CA GLY 86 0.164 -35.728 26.686 1.00 63.30 ATOM 1369 HA1 GLY 86 0.503 -35.021 27.428 1.00 37.06 ATOM 1370 HA2 GLY 86 -0.723 -36.220 27.057 1.00 21.32 ATOM 1371 C GLY 86 -0.193 -34.969 25.411 1.00 32.43 ATOM 1372 O GLY 86 -1.352 -34.960 24.984 1.00 42.10 ATOM 1373 N CYS 87 0.805 -34.337 24.799 1.00 43.11 ATOM 1374 HN CYS 87 1.703 -34.358 25.203 1.00 37.06 ATOM 1375 CA CYS 87 0.603 -33.601 23.543 1.00 51.21 ATOM 1376 HA CYS 87 -0.148 -32.845 23.721 1.00 61.14 ATOM 1377 CB CYS 87 1.904 -32.912 23.109 1.00 55.11 ATOM 1378 HB1 CYS 87 1.735 -32.393 22.177 1.00 37.06 ATOM 1379 HB2 CYS 87 2.670 -33.661 22.964 1.00 72.11 ATOM 1380 SG CYS 87 2.536 -31.709 24.299 1.00 62.23 ATOM 1381 HG CYS 87 3.858 -31.812 24.324 1.00 43.34 ATOM 1382 C CYS 87 0.114 -34.530 22.420 1.00 1.23 ATOM 1383 O CYS 87 -0.736 -34.153 21.610 1.00 34.51 ATOM 1384 N GLY 88 0.655 -35.747 22.387 1.00 53.33 ATOM 1385 HN GLY 88 1.324 -35.987 23.064 1.00 37.06 ATOM 1386 CA GLY 88 0.287 -36.722 21.365 1.00 53.32 ATOM 1387 HA1 GLY 88 1.034 -37.502 21.354 1.00 37.06 ATOM 1388 HA2 GLY 88 0.287 -36.234 20.401 1.00 65.13 ATOM 1389 C GLY 88 -1.085 -37.364 21.588 1.00 43.01 ATOM 1390 O GLY 88 -1.687 -37.885 20.650 1.00 3.32 ATOM 1391 N ALA 89 -1.576 -37.344 22.829 1.00 11.42 ATOM 1392 HN ALA 89 -1.033 -36.959 23.550 1.00 37.06 ATOM 1393 CA ALA 89 -2.894 -37.910 23.150 1.00 4.23 ATOM 1394 HA ALA 89 -3.081 -38.724 22.460 1.00 52.21 ATOM 1395 CB ALA 89 -2.898 -38.487 24.563 1.00 11.02 ATOM 1396 HB1 ALA 89 -2.125 -39.237 24.649 1.00 55.35 ATOM 1397 HB2 ALA 89 -3.859 -38.937 24.769 1.00 44.24 ATOM 1398 HB3 ALA 89 -2.711 -37.696 25.275 1.00 33.22 ATOM 1399 C ALA 89 -4.016 -36.870 23.000 1.00 61.23 ATOM 1400 O ALA 89 -5.052 -37.148 22.397 1.00 14.43 ATOM 1401 N SER 90 -3.811 -35.674 23.554 1.00 21.55 ATOM 1402 HN SER 90 -2.964 -35.503 24.021 1.00 37.06 ATOM 1403 CA SER 90 -4.831 -34.609 23.499 1.00 11.55 ATOM 1404 HA SER 90 -5.801 -35.082 23.563 1.00 61.32 ATOM 1405 CB SER 90 -4.675 -33.650 24.693 1.00 14.32 ATOM 1406 HB1 SER 90 -3.684 -33.222 24.680 1.00 37.06 ATOM 1407 HB2 SER 90 -4.816 -34.195 25.614 1.00 44.33 ATOM 1408 OG SER 90 -5.627 -32.597 24.643 1.00 61.34 ATOM 1409 HG SER 90 -6.251 -32.694 25.372 1.00 41.10 ATOM 1410 C SER 90 -4.764 -33.808 22.187 1.00 42.11 ATOM 1411 O SER 90 -5.680 -33.859 21.367 1.00 5.35 ATOM 1412 N LEU 91 -3.661 -33.088 21.983 1.00 42.33 ATOM 1413 HN LEU 91 -2.926 -33.159 22.625 1.00 37.06 ATOM 1414 CA LEU 91 -3.511 -32.187 20.827 1.00 22.33 ATOM 1415 HA LEU 91 -4.459 -31.691 20.672 1.00 3.10 ATOM 1416 CB LEU 91 -2.450 -31.124 21.146 1.00 52.30 ATOM 1417 HB1 LEU 91 -2.222 -30.585 20.237 1.00 37.06 ATOM 1418 HB2 LEU 91 -1.554 -31.631 21.476 1.00 10.20 ATOM 1419 CG LEU 91 -2.857 -30.105 22.222 1.00 10.20 ATOM 1420 HG LEU 91 -3.275 -30.630 23.068 1.00 54.13 ATOM 1421 CD1 LEU 91 -1.647 -29.319 22.714 1.00 23.14 ATOM 1422 HD11 LEU 91 -1.205 -28.779 21.888 1.00 12.54 ATOM 1423 HD12 LEU 91 -0.920 -30.002 23.126 1.00 61.14 ATOM 1424 HD13 LEU 91 -1.957 -28.619 23.477 1.00 64.34 ATOM 1425 CD2 LEU 91 -3.925 -29.158 21.682 1.00 2.25 ATOM 1426 HD21 LEU 91 -4.183 -28.435 22.442 1.00 13.41 ATOM 1427 HD22 LEU 91 -4.805 -29.724 21.412 1.00 31.21 ATOM 1428 HD23 LEU 91 -3.545 -28.643 20.808 1.00 22.15 ATOM 1429 C LEU 91 -3.137 -32.937 19.538 1.00 73.24 ATOM 1430 O LEU 91 -3.316 -32.417 18.436 1.00 22.32 ATOM 1431 N ARG 92 -2.600 -34.152 19.687 1.00 22.44 ATOM 1432 HN ARG 92 -2.451 -34.489 20.595 1.00 37.06 ATOM 1433 CA ARG 92 -2.215 -35.003 18.543 1.00 14.24 ATOM 1434 HA ARG 92 -1.785 -35.912 18.942 1.00 14.12 ATOM 1435 CB ARG 92 -3.449 -35.368 17.688 1.00 64.42 ATOM 1436 HB1 ARG 92 -3.207 -36.235 17.088 1.00 37.06 ATOM 1437 HB2 ARG 92 -3.671 -34.542 17.028 1.00 35.25 ATOM 1438 CG ARG 92 -4.715 -35.681 18.484 1.00 31.14 ATOM 1439 HG1 ARG 92 -5.496 -35.966 17.793 1.00 37.06 ATOM 1440 HG2 ARG 92 -5.018 -34.793 19.019 1.00 53.14 ATOM 1441 CD ARG 92 -4.513 -36.807 19.489 1.00 30.01 ATOM 1442 HD1 ARG 92 -5.428 -36.935 20.051 1.00 37.06 ATOM 1443 HD2 ARG 92 -3.717 -36.529 20.166 1.00 32.24 ATOM 1444 NE ARG 92 -4.167 -38.075 18.855 1.00 31.52 ATOM 1445 HE ARG 92 -3.798 -38.047 17.951 1.00 73.44 ATOM 1446 CZ ARG 92 -4.306 -39.237 19.428 1.00 65.32 ATOM 1447 NH1 ARG 92 -4.809 -39.332 20.623 1.00 22.31 ATOM 1448 HH11 ARG 92 -5.094 -38.509 21.113 1.00 72.23 ATOM 1449 HH12 ARG 92 -4.910 -40.227 21.051 1.00 23.33 ATOM 1450 NH2 ARG 92 -3.948 -40.306 18.799 1.00 70.31 ATOM 1451 HH21 ARG 92 -3.566 -40.237 17.876 1.00 64.42 ATOM 1452 HH22 ARG 92 -4.051 -41.198 19.230 1.00 64.30 ATOM 1453 C ARG 92 -1.163 -34.313 17.651 1.00 53.30 ATOM 1454 O ARG 92 -0.950 -34.708 16.505 1.00 14.14 ATOM 1455 N LEU 93 -0.498 -33.292 18.189 1.00 62.52 ATOM 1456 HN LEU 93 -0.625 -33.097 19.138 1.00 37.06 ATOM 1457 CA LEU 93 0.421 -32.459 17.403 1.00 43.21 ATOM 1458 HA LEU 93 -0.077 -32.232 16.469 1.00 74.13 ATOM 1459 CB LEU 93 0.688 -31.130 18.140 1.00 71.32 ATOM 1460 HB1 LEU 93 -0.243 -30.581 18.178 1.00 37.06 ATOM 1461 HB2 LEU 93 1.390 -30.556 17.551 1.00 2.24 ATOM 1462 CG LEU 93 1.242 -31.233 19.580 1.00 11.51 ATOM 1463 HG LEU 93 0.749 -32.051 20.088 1.00 71.41 ATOM 1464 CD1 LEU 93 2.742 -31.520 19.586 1.00 65.11 ATOM 1465 HD11 LEU 93 2.930 -32.465 19.100 1.00 54.43 ATOM 1466 HD12 LEU 93 3.098 -31.564 20.605 1.00 50.13 ATOM 1467 HD13 LEU 93 3.263 -30.734 19.056 1.00 41.55 ATOM 1468 CD2 LEU 93 0.947 -29.956 20.361 1.00 62.04 ATOM 1469 HD21 LEU 93 -0.119 -29.783 20.381 1.00 25.40 ATOM 1470 HD22 LEU 93 1.438 -29.117 19.887 1.00 32.44 ATOM 1471 HD23 LEU 93 1.310 -30.061 21.374 1.00 1.12 ATOM 1472 C LEU 93 1.738 -33.180 17.072 1.00 72.43 ATOM 1473 O LEU 93 2.053 -34.225 17.648 1.00 32.12 ATOM 1474 N GLU 94 2.498 -32.607 16.137 1.00 64.34 ATOM 1475 HN GLU 94 2.167 -31.800 15.693 1.00 37.06 ATOM 1476 CA GLU 94 3.806 -33.145 15.740 1.00 4.13 ATOM 1477 HA GLU 94 3.643 -34.125 15.311 1.00 71.11 ATOM 1478 CB GLU 94 4.452 -32.235 14.678 1.00 62.50 ATOM 1479 HB1 GLU 94 5.423 -32.635 14.418 1.00 37.06 ATOM 1480 HB2 GLU 94 4.586 -31.248 15.100 1.00 0.43 ATOM 1481 CG GLU 94 3.637 -32.092 13.391 1.00 22.23 ATOM 1482 HG1 GLU 94 4.117 -31.358 12.756 1.00 37.06 ATOM 1483 HG2 GLU 94 2.645 -31.745 13.646 1.00 64.54 ATOM 1484 CD GLU 94 3.509 -33.397 12.617 1.00 62.02 ATOM 1485 OE1 GLU 94 2.580 -34.186 12.915 1.00 4.54 ATOM 1486 OE2 GLU 94 4.336 -33.641 11.709 1.00 30.23 ATOM 1487 C GLU 94 4.742 -33.286 16.952 1.00 42.32 ATOM 1488 O GLU 94 5.182 -32.293 17.529 1.00 42.03 ATOM 1489 N THR 95 5.024 -34.523 17.345 1.00 12.11 ATOM 1490 HN THR 95 4.641 -35.280 16.851 1.00 37.06 ATOM 1491 CA THR 95 5.885 -34.788 18.506 1.00 23.12 ATOM 1492 HA THR 95 6.008 -33.860 19.050 1.00 53.33 ATOM 1493 CB THR 95 5.244 -35.822 19.464 1.00 60.15 ATOM 1494 HB THR 95 5.951 -36.040 20.255 1.00 72.03 ATOM 1495 OG1 THR 95 4.955 -37.037 18.757 1.00 42.31 ATOM 1496 HG1 THR 95 3.999 -37.160 18.703 1.00 2.54 ATOM 1497 CG2 THR 95 3.965 -35.276 20.096 1.00 3.23 ATOM 1498 HG21 THR 95 3.554 -36.011 20.774 1.00 60.21 ATOM 1499 HG22 THR 95 3.243 -35.060 19.323 1.00 30.12 ATOM 1500 HG23 THR 95 4.188 -34.369 20.641 1.00 15.43 ATOM 1501 C THR 95 7.274 -35.294 18.090 1.00 52.41 ATOM 1502 O THR 95 7.541 -35.535 16.910 1.00 12.23 ATOM 1503 N PHE 96 8.150 -35.448 19.078 1.00 61.41 ATOM 1504 HN PHE 96 7.869 -35.236 19.992 1.00 37.06 ATOM 1505 CA PHE 96 9.523 -35.926 18.863 1.00 33.03 ATOM 1506 HA PHE 96 9.612 -36.224 17.827 1.00 61.00 ATOM 1507 CB PHE 96 10.530 -34.798 19.145 1.00 11.41 ATOM 1508 HB1 PHE 96 10.381 -34.007 18.422 1.00 37.06 ATOM 1509 HB2 PHE 96 11.533 -35.186 19.035 1.00 43.05 ATOM 1510 CG PHE 96 10.414 -34.196 20.527 1.00 12.52 ATOM 1511 CD1 PHE 96 9.555 -33.130 20.764 1.00 63.13 ATOM 1512 HD1 PHE 96 8.967 -32.733 19.950 1.00 62.23 ATOM 1513 CD2 PHE 96 11.163 -34.692 21.585 1.00 42.13 ATOM 1514 HD2 PHE 96 11.836 -35.521 21.416 1.00 43.13 ATOM 1515 CE1 PHE 96 9.447 -32.575 22.025 1.00 2.53 ATOM 1516 HE1 PHE 96 8.776 -31.746 22.197 1.00 71.21 ATOM 1517 CE2 PHE 96 11.057 -34.141 22.846 1.00 13.14 ATOM 1518 HE2 PHE 96 11.646 -34.538 23.661 1.00 30.04 ATOM 1519 CZ PHE 96 10.198 -33.081 23.068 1.00 53.03 ATOM 1520 HZ PHE 96 10.115 -32.648 24.055 1.00 51.21 ATOM 1521 C PHE 96 9.817 -37.149 19.747 1.00 21.23 ATOM 1522 O PHE 96 8.930 -37.645 20.441 1.00 13.12 ATOM 1523 N ASP 97 11.043 -37.663 19.690 1.00 41.54 ATOM 1524 HN ASP 97 11.703 -37.269 19.080 1.00 37.06 ATOM 1525 CA ASP 97 11.447 -38.791 20.539 1.00 45.21 ATOM 1526 HA ASP 97 10.554 -39.207 20.989 1.00 14.00 ATOM 1527 CB ASP 97 12.126 -39.875 19.692 1.00 41.32 ATOM 1528 HB1 ASP 97 12.406 -40.702 20.331 1.00 37.06 ATOM 1529 HB2 ASP 97 13.014 -39.466 19.232 1.00 12.14 ATOM 1530 CG ASP 97 11.210 -40.397 18.599 1.00 63.21 ATOM 1531 OD1 ASP 97 11.134 -39.762 17.522 1.00 1.32 ATOM 1532 OD2 ASP 97 10.556 -41.441 18.816 1.00 14.45 ATOM 1533 C ASP 97 12.386 -38.320 21.665 1.00 71.03 ATOM 1534 O ASP 97 13.195 -37.415 21.479 1.00 62.30 ATOM 1535 N ALA 98 12.279 -38.948 22.835 1.00 2.34 ATOM 1536 HN ALA 98 11.649 -39.694 22.916 1.00 37.06 ATOM 1537 CA ALA 98 13.067 -38.544 24.010 1.00 33.41 ATOM 1538 HA ALA 98 12.729 -37.560 24.304 1.00 10.22 ATOM 1539 CB ALA 98 12.791 -39.497 25.170 1.00 52.01 ATOM 1540 HB1 ALA 98 13.336 -39.171 26.045 1.00 2.22 ATOM 1541 HB2 ALA 98 13.106 -40.495 24.903 1.00 31.44 ATOM 1542 HB3 ALA 98 11.731 -39.503 25.391 1.00 13.52 ATOM 1543 C ALA 98 14.583 -38.474 23.718 1.00 74.00 ATOM 1544 O ALA 98 15.308 -37.682 24.325 1.00 2.31 ATOM 1545 N ASN 99 15.050 -39.292 22.776 1.00 71.32 ATOM 1546 HN ASN 99 14.418 -39.852 22.281 1.00 37.06 ATOM 1547 CA ASN 99 16.484 -39.379 22.463 1.00 74.50 ATOM 1548 HA ASN 99 17.015 -39.420 23.404 1.00 72.04 ATOM 1549 CB ASN 99 16.780 -40.665 21.687 1.00 42.02 ATOM 1550 HB1 ASN 99 17.844 -40.737 21.507 1.00 37.06 ATOM 1551 HB2 ASN 99 16.260 -40.639 20.739 1.00 42.44 ATOM 1552 CG ASN 99 16.336 -41.898 22.445 1.00 73.42 ATOM 1553 OD1 ASN 99 15.218 -42.370 22.280 1.00 35.13 ATOM 1554 ND2 ASN 99 17.199 -42.429 23.287 1.00 34.41 ATOM 1555 HD21 ASN 99 18.078 -42.007 23.380 1.00 71.14 ATOM 1556 HD22 ASN 99 16.921 -43.224 23.790 1.00 14.22 ATOM 1557 C ASN 99 17.001 -38.163 21.675 1.00 45.44 ATOM 1558 O ASN 99 18.027 -37.584 22.036 1.00 4.30 ATOM 1559 N ASP 100 16.299 -37.766 20.609 1.00 35.23 ATOM 1560 HN ASP 100 15.444 -38.201 20.403 1.00 37.06 ATOM 1561 CA ASP 100 16.779 -36.669 19.755 1.00 4.04 ATOM 1562 HA ASP 100 17.767 -36.950 19.412 1.00 63.22 ATOM 1563 CB ASP 100 15.886 -36.484 18.518 1.00 13.02 ATOM 1564 HB1 ASP 100 16.068 -37.298 17.830 1.00 37.06 ATOM 1565 HB2 ASP 100 16.145 -35.553 18.032 1.00 50.51 ATOM 1566 CG ASP 100 14.407 -36.451 18.841 1.00 3.44 ATOM 1567 OD1 ASP 100 13.724 -37.460 18.574 1.00 41.22 ATOM 1568 OD2 ASP 100 13.924 -35.422 19.340 1.00 40.43 ATOM 1569 C ASP 100 16.916 -35.354 20.539 1.00 43.42 ATOM 1570 O ASP 100 17.847 -34.584 20.307 1.00 53.25 ATOM 1571 N LEU 101 16.000 -35.108 21.470 1.00 33.12 ATOM 1572 HN LEU 101 15.228 -35.712 21.552 1.00 37.06 ATOM 1573 CA LEU 101 16.099 -33.941 22.351 1.00 73.14 ATOM 1574 HA LEU 101 16.313 -33.080 21.731 1.00 41.11 ATOM 1575 CB LEU 101 14.772 -33.700 23.084 1.00 55.33 ATOM 1576 HB1 LEU 101 14.487 -34.618 23.579 1.00 37.06 ATOM 1577 HB2 LEU 101 14.017 -33.460 22.348 1.00 21.14 ATOM 1578 CG LEU 101 14.802 -32.575 24.137 1.00 12.45 ATOM 1579 HG LEU 101 15.564 -32.804 24.871 1.00 2.25 ATOM 1580 CD1 LEU 101 15.165 -31.237 23.498 1.00 61.35 ATOM 1581 HD11 LEU 101 14.452 -31.001 22.722 1.00 54.32 ATOM 1582 HD12 LEU 101 16.155 -31.297 23.071 1.00 52.22 ATOM 1583 HD13 LEU 101 15.147 -30.461 24.250 1.00 4.43 ATOM 1584 CD2 LEU 101 13.467 -32.483 24.865 1.00 24.42 ATOM 1585 HD21 LEU 101 13.514 -31.697 25.606 1.00 15.50 ATOM 1586 HD22 LEU 101 13.257 -33.423 25.355 1.00 41.45 ATOM 1587 HD23 LEU 101 12.681 -32.263 24.156 1.00 13.03 ATOM 1588 C LEU 101 17.233 -34.099 23.379 1.00 1.24 ATOM 1589 O LEU 101 18.087 -33.222 23.513 1.00 60.45 ATOM 1590 N TYR 102 17.242 -35.224 24.094 1.00 52.11 ATOM 1591 HN TYR 102 16.577 -35.920 23.896 1.00 37.06 ATOM 1592 CA TYR 102 18.208 -35.447 25.180 1.00 13.14 ATOM 1593 HA TYR 102 18.104 -34.630 25.880 1.00 43.34 ATOM 1594 CB TYR 102 17.885 -36.762 25.907 1.00 42.03 ATOM 1595 HB1 TYR 102 18.181 -37.593 25.283 1.00 37.06 ATOM 1596 HB2 TYR 102 16.819 -36.816 26.080 1.00 64.01 ATOM 1597 CG TYR 102 18.581 -36.912 27.250 1.00 4.22 ATOM 1598 CD1 TYR 102 18.004 -36.396 28.404 1.00 32.21 ATOM 1599 HD1 TYR 102 17.055 -35.888 28.332 1.00 41.43 ATOM 1600 CD2 TYR 102 19.805 -37.564 27.367 1.00 10.01 ATOM 1601 HD2 TYR 102 20.269 -37.974 26.482 1.00 61.04 ATOM 1602 CE1 TYR 102 18.624 -36.521 29.630 1.00 52.44 ATOM 1603 HE1 TYR 102 18.157 -36.112 30.514 1.00 61.22 ATOM 1604 CE2 TYR 102 20.429 -37.694 28.593 1.00 24.12 ATOM 1605 HE2 TYR 102 21.380 -38.204 28.664 1.00 72.14 ATOM 1606 CZ TYR 102 19.834 -37.170 29.720 1.00 70.41 ATOM 1607 OH TYR 102 20.455 -37.293 30.943 1.00 43.21 ATOM 1608 HH TYR 102 19.797 -37.501 31.616 1.00 65.34 ATOM 1609 C TYR 102 19.661 -35.474 24.670 1.00 65.13 ATOM 1610 O TYR 102 20.579 -35.032 25.363 1.00 75.52 ATOM 1611 N GLN 103 19.860 -36.005 23.465 1.00 71.01 ATOM 1612 HN GLN 103 19.087 -36.333 22.960 1.00 37.06 ATOM 1613 CA GLN 103 21.202 -36.124 22.871 1.00 41.01 ATOM 1614 HA GLN 103 21.927 -36.027 23.670 1.00 52.53 ATOM 1615 CB GLN 103 21.367 -37.509 22.225 1.00 0.50 ATOM 1616 HB1 GLN 103 22.353 -37.574 21.785 1.00 37.06 ATOM 1617 HB2 GLN 103 20.629 -37.618 21.442 1.00 34.43 ATOM 1618 CG GLN 103 21.203 -38.674 23.200 1.00 72.02 ATOM 1619 HG1 GLN 103 21.236 -39.600 22.644 1.00 37.06 ATOM 1620 HG2 GLN 103 20.241 -38.584 23.684 1.00 4.43 ATOM 1621 CD GLN 103 22.282 -38.713 24.273 1.00 54.15 ATOM 1622 OE1 GLN 103 23.416 -38.297 24.055 1.00 70.21 ATOM 1623 NE2 GLN 103 21.945 -39.228 25.438 1.00 22.14 ATOM 1624 HE21 GLN 103 21.028 -39.556 25.552 1.00 32.14 ATOM 1625 HE22 GLN 103 22.624 -39.258 26.141 1.00 12.05 ATOM 1626 C GLN 103 21.475 -35.021 21.828 1.00 30.23 ATOM 1627 O GLN 103 22.595 -34.893 21.332 1.00 22.31 ATOM 1628 N GLY 104 20.451 -34.236 21.493 1.00 61.10 ATOM 1629 HN GLY 104 19.576 -34.388 21.908 1.00 37.06 ATOM 1630 CA GLY 104 20.615 -33.143 20.532 1.00 13.45 ATOM 1631 HA1 GLY 104 21.470 -32.549 20.826 1.00 37.06 ATOM 1632 HA2 GLY 104 19.735 -32.519 20.570 1.00 32.22 ATOM 1633 C GLY 104 20.814 -33.610 19.088 1.00 32.52 ATOM 1634 O GLY 104 21.642 -33.059 18.359 1.00 35.31 ATOM 1635 N GLN 105 20.048 -34.614 18.666 1.00 24.43 ATOM 1636 HN GLN 105 19.401 -35.006 19.288 1.00 37.06 ATOM 1637 CA GLN 105 20.149 -35.150 17.301 1.00 2.43 ATOM 1638 HA GLN 105 21.167 -35.002 16.964 1.00 2.02 ATOM 1639 CB GLN 105 19.847 -36.656 17.299 1.00 63.41 ATOM 1640 HB1 GLN 105 19.941 -37.029 16.289 1.00 37.06 ATOM 1641 HB2 GLN 105 18.829 -36.806 17.633 1.00 3.42 ATOM 1642 CG GLN 105 20.770 -37.473 18.199 1.00 24.11 ATOM 1643 HG1 GLN 105 20.688 -37.102 19.210 1.00 37.06 ATOM 1644 HG2 GLN 105 21.788 -37.353 17.855 1.00 65.54 ATOM 1645 CD GLN 105 20.426 -38.954 18.194 1.00 10.14 ATOM 1646 OE1 GLN 105 19.625 -39.422 18.996 1.00 23.43 ATOM 1647 NE2 GLN 105 21.016 -39.702 17.283 1.00 42.14 ATOM 1648 HE21 GLN 105 21.636 -39.269 16.660 1.00 34.33 ATOM 1649 HE22 GLN 105 20.809 -40.660 17.269 1.00 32.23 ATOM 1650 C GLN 105 19.202 -34.419 16.328 1.00 41.00 ATOM 1651 O GLN 105 19.626 -33.540 15.573 1.00 5.10 ATOM 1652 N ASN 106 17.915 -34.779 16.351 1.00 31.13 ATOM 1653 HN ASN 106 17.628 -35.470 16.980 1.00 37.06 ATOM 1654 CA ASN 106 16.918 -34.166 15.460 1.00 73.32 ATOM 1655 HA ASN 106 17.445 -33.723 14.627 1.00 21.51 ATOM 1656 CB ASN 106 15.945 -35.225 14.920 1.00 55.14 ATOM 1657 HB1 ASN 106 15.292 -34.771 14.187 1.00 37.06 ATOM 1658 HB2 ASN 106 15.350 -35.604 15.742 1.00 60.43 ATOM 1659 CG ASN 106 16.658 -36.395 14.270 1.00 44.14 ATOM 1660 OD1 ASN 106 17.121 -36.307 13.138 1.00 53.42 ATOM 1661 ND2 ASN 106 16.722 -37.512 14.966 1.00 21.34 ATOM 1662 HD21 ASN 106 16.310 -37.533 15.854 1.00 72.44 ATOM 1663 HD22 ASN 106 17.181 -38.275 14.563 1.00 71.51 ATOM 1664 C ASN 106 16.133 -33.058 16.181 1.00 52.33 ATOM 1665 O ASN 106 14.959 -33.227 16.520 1.00 75.22 ATOM 1666 N PHE 107 16.790 -31.926 16.420 1.00 44.05 ATOM 1667 HN PHE 107 17.722 -31.845 16.125 1.00 37.06 ATOM 1668 CA PHE 107 16.159 -30.805 17.127 1.00 61.21 ATOM 1669 HA PHE 107 15.744 -31.196 18.046 1.00 2.35 ATOM 1670 CB PHE 107 17.201 -29.733 17.479 1.00 71.13 ATOM 1671 HB1 PHE 107 17.603 -29.316 16.565 1.00 37.06 ATOM 1672 HB2 PHE 107 18.003 -30.190 18.041 1.00 10.24 ATOM 1673 CG PHE 107 16.640 -28.599 18.306 1.00 32.15 ATOM 1674 CD1 PHE 107 16.385 -28.773 19.660 1.00 50.20 ATOM 1675 HD1 PHE 107 16.603 -29.726 20.124 1.00 61.34 ATOM 1676 CD2 PHE 107 16.354 -27.367 17.730 1.00 5.42 ATOM 1677 HD2 PHE 107 16.544 -27.216 16.678 1.00 13.33 ATOM 1678 CE1 PHE 107 15.862 -27.745 20.420 1.00 40.13 ATOM 1679 HE1 PHE 107 15.668 -27.896 21.474 1.00 62.05 ATOM 1680 CE2 PHE 107 15.832 -26.335 18.488 1.00 74.42 ATOM 1681 HE2 PHE 107 15.615 -25.381 18.028 1.00 44.40 ATOM 1682 CZ PHE 107 15.584 -26.525 19.834 1.00 55.53 ATOM 1683 HZ PHE 107 15.174 -25.720 20.429 1.00 52.44 ATOM 1684 C PHE 107 15.014 -30.183 16.307 1.00 43.43 ATOM 1685 O PHE 107 14.105 -29.567 16.866 1.00 65.32 ATOM 1686 N ASN 108 15.059 -30.352 14.986 1.00 71.41 ATOM 1687 HN ASN 108 15.801 -30.860 14.596 1.00 37.06 ATOM 1688 CA ASN 108 14.027 -29.802 14.099 1.00 54.20 ATOM 1689 HA ASN 108 14.049 -28.725 14.206 1.00 72.42 ATOM 1690 CB ASN 108 14.331 -30.157 12.636 1.00 43.41 ATOM 1691 HB1 ASN 108 15.317 -29.792 12.382 1.00 37.06 ATOM 1692 HB2 ASN 108 13.603 -29.677 11.998 1.00 22.42 ATOM 1693 CG ASN 108 14.290 -31.652 12.368 1.00 15.51 ATOM 1694 OD1 ASN 108 14.580 -32.465 13.241 1.00 50.40 ATOM 1695 ND2 ASN 108 13.930 -32.024 11.158 1.00 45.52 ATOM 1696 HD21 ASN 108 13.711 -31.329 10.503 1.00 71.32 ATOM 1697 HD22 ASN 108 13.888 -32.984 10.966 1.00 1.41 ATOM 1698 C ASN 108 12.622 -30.299 14.488 1.00 60.00 ATOM 1699 O ASN 108 11.646 -29.547 14.411 1.00 51.03 ATOM 1700 N LYS 109 12.525 -31.563 14.911 1.00 63.13 ATOM 1701 HN LYS 109 13.324 -32.136 14.889 1.00 37.06 ATOM 1702 CA LYS 109 11.256 -32.121 15.398 1.00 54.22 ATOM 1703 HA LYS 109 10.504 -31.943 14.640 1.00 73.54 ATOM 1704 CB LYS 109 11.373 -33.636 15.644 1.00 1.31 ATOM 1705 HB1 LYS 109 10.417 -34.003 15.995 1.00 37.06 ATOM 1706 HB2 LYS 109 12.112 -33.804 16.415 1.00 31.23 ATOM 1707 CG LYS 109 11.776 -34.452 14.415 1.00 53.22 ATOM 1708 HG1 LYS 109 12.801 -34.218 14.160 1.00 37.06 ATOM 1709 HG2 LYS 109 11.131 -34.189 13.590 1.00 54.41 ATOM 1710 CD LYS 109 11.661 -35.958 14.672 1.00 5.53 ATOM 1711 HD1 LYS 109 12.028 -36.488 13.803 1.00 37.06 ATOM 1712 HD2 LYS 109 10.622 -36.208 14.832 1.00 13.21 ATOM 1713 CE LYS 109 12.468 -36.388 15.893 1.00 22.32 ATOM 1714 HE1 LYS 109 12.088 -35.869 16.762 1.00 37.06 ATOM 1715 HE2 LYS 109 13.502 -36.116 15.741 1.00 41.34 ATOM 1716 NZ LYS 109 12.392 -37.855 16.141 1.00 44.11 ATOM 1717 HZ1 LYS 109 12.944 -38.101 16.989 1.00 2.51 ATOM 1718 HZ2 LYS 109 12.779 -38.379 15.332 1.00 73.23 ATOM 1719 HZ3 LYS 109 11.407 -38.151 16.291 1.00 44.11 ATOM 1720 C LYS 109 10.824 -31.425 16.698 1.00 30.04 ATOM 1721 O LYS 109 9.667 -31.032 16.853 1.00 45.11 ATOM 1722 N VAL 110 11.772 -31.269 17.622 1.00 42.34 ATOM 1723 HN VAL 110 12.675 -31.601 17.434 1.00 37.06 ATOM 1724 CA VAL 110 11.508 -30.620 18.912 1.00 75.00 ATOM 1725 HA VAL 110 10.757 -31.203 19.427 1.00 31.02 ATOM 1726 CB VAL 110 12.782 -30.580 19.794 1.00 74.15 ATOM 1727 HB VAL 110 13.515 -29.956 19.297 1.00 41.51 ATOM 1728 CG1 VAL 110 12.481 -29.958 21.159 1.00 31.52 ATOM 1729 HG11 VAL 110 12.092 -28.959 21.023 1.00 11.51 ATOM 1730 HG12 VAL 110 13.387 -29.910 21.743 1.00 65.13 ATOM 1731 HG13 VAL 110 11.750 -30.562 21.679 1.00 73.20 ATOM 1732 CG2 VAL 110 13.381 -31.978 19.950 1.00 32.32 ATOM 1733 HG21 VAL 110 12.664 -32.628 20.433 1.00 62.13 ATOM 1734 HG22 VAL 110 14.277 -31.923 20.550 1.00 71.14 ATOM 1735 HG23 VAL 110 13.628 -32.377 18.975 1.00 51.43 ATOM 1736 C VAL 110 10.986 -29.187 18.725 1.00 70.44 ATOM 1737 O VAL 110 9.931 -28.823 19.247 1.00 31.42 ATOM 1738 N LEU 111 11.732 -28.381 17.968 1.00 13.12 ATOM 1739 HN LEU 111 12.562 -28.730 17.581 1.00 37.06 ATOM 1740 CA LEU 111 11.353 -26.989 17.706 1.00 4.41 ATOM 1741 HA LEU 111 11.330 -26.470 18.655 1.00 61.21 ATOM 1742 CB LEU 111 12.396 -26.319 16.798 1.00 24.52 ATOM 1743 HB1 LEU 111 12.385 -26.822 15.842 1.00 37.06 ATOM 1744 HB2 LEU 111 13.372 -26.459 17.244 1.00 60.34 ATOM 1745 CG LEU 111 12.181 -24.815 16.551 1.00 61.00 ATOM 1746 HG LEU 111 11.209 -24.668 16.101 1.00 52.54 ATOM 1747 CD1 LEU 111 12.203 -24.040 17.867 1.00 51.30 ATOM 1748 HD11 LEU 111 13.169 -24.154 18.339 1.00 45.41 ATOM 1749 HD12 LEU 111 11.435 -24.421 18.523 1.00 22.41 ATOM 1750 HD13 LEU 111 12.019 -22.993 17.672 1.00 64.32 ATOM 1751 CD2 LEU 111 13.230 -24.270 15.584 1.00 71.45 ATOM 1752 HD21 LEU 111 13.059 -23.215 15.423 1.00 2.15 ATOM 1753 HD22 LEU 111 13.158 -24.792 14.641 1.00 21.32 ATOM 1754 HD23 LEU 111 14.217 -24.414 16.000 1.00 24.23 ATOM 1755 C LEU 111 9.960 -26.902 17.062 1.00 44.35 ATOM 1756 O LEU 111 9.121 -26.105 17.478 1.00 31.15 ATOM 1757 N SER 112 9.717 -27.739 16.053 1.00 34.54 ATOM 1758 HN SER 112 10.430 -28.342 15.753 1.00 37.06 ATOM 1759 CA SER 112 8.410 -27.781 15.377 1.00 32.35 ATOM 1760 HA SER 112 8.201 -26.785 15.015 1.00 31.35 ATOM 1761 CB SER 112 8.449 -28.743 14.182 1.00 41.43 ATOM 1762 HB1 SER 112 7.474 -28.778 13.716 1.00 37.06 ATOM 1763 HB2 SER 112 8.719 -29.732 14.525 1.00 21.42 ATOM 1764 OG SER 112 9.402 -28.319 13.218 1.00 2.41 ATOM 1765 HG SER 112 10.194 -28.863 13.298 1.00 55.04 ATOM 1766 C SER 112 7.293 -28.194 16.343 1.00 54.14 ATOM 1767 O SER 112 6.159 -27.722 16.234 1.00 51.10 ATOM 1768 N SER 113 7.618 -29.078 17.285 1.00 61.42 ATOM 1769 HN SER 113 8.525 -29.455 17.291 1.00 37.06 ATOM 1770 CA SER 113 6.659 -29.509 18.310 1.00 42.30 ATOM 1771 HA SER 113 5.765 -29.849 17.804 1.00 22.15 ATOM 1772 CB SER 113 7.234 -30.669 19.137 1.00 13.51 ATOM 1773 HB1 SER 113 8.078 -30.316 19.715 1.00 37.06 ATOM 1774 HB2 SER 113 7.557 -31.457 18.473 1.00 14.21 ATOM 1775 OG SER 113 6.263 -31.197 20.026 1.00 42.41 ATOM 1776 HG SER 113 5.585 -31.657 19.518 1.00 3.42 ATOM 1777 C SER 113 6.289 -28.344 19.235 1.00 34.11 ATOM 1778 O SER 113 5.113 -28.104 19.509 1.00 34.31 ATOM 1779 N LEU 114 7.305 -27.614 19.695 1.00 12.23 ATOM 1780 HN LEU 114 8.220 -27.876 19.458 1.00 37.06 ATOM 1781 CA LEU 114 7.101 -26.439 20.553 1.00 53.21 ATOM 1782 HA LEU 114 6.556 -26.761 21.429 1.00 21.51 ATOM 1783 CB LEU 114 8.456 -25.866 20.992 1.00 50.12 ATOM 1784 HB1 LEU 114 8.271 -24.999 21.611 1.00 37.06 ATOM 1785 HB2 LEU 114 8.988 -25.544 20.106 1.00 33.32 ATOM 1786 CG LEU 114 9.362 -26.834 21.776 1.00 42.05 ATOM 1787 HG LEU 114 9.534 -27.716 21.175 1.00 43.25 ATOM 1788 CD1 LEU 114 10.719 -26.196 22.059 1.00 1.44 ATOM 1789 HD11 LEU 114 11.344 -26.898 22.591 1.00 64.35 ATOM 1790 HD12 LEU 114 10.585 -25.307 22.660 1.00 51.13 ATOM 1791 HD13 LEU 114 11.194 -25.929 21.125 1.00 24.21 ATOM 1792 CD2 LEU 114 8.690 -27.276 23.077 1.00 12.23 ATOM 1793 HD21 LEU 114 7.769 -27.795 22.850 1.00 73.00 ATOM 1794 HD22 LEU 114 8.473 -26.411 23.686 1.00 63.21 ATOM 1795 HD23 LEU 114 9.350 -27.939 23.617 1.00 74.24 ATOM 1796 C LEU 114 6.284 -25.350 19.835 1.00 70.14 ATOM 1797 O LEU 114 5.324 -24.808 20.389 1.00 33.24 ATOM 1798 N VAL 115 6.672 -25.035 18.600 1.00 30.31 ATOM 1799 HN VAL 115 7.465 -25.474 18.224 1.00 37.06 ATOM 1800 CA VAL 115 5.953 -24.043 17.793 1.00 34.52 ATOM 1801 HA VAL 115 5.969 -23.106 18.336 1.00 23.21 ATOM 1802 CB VAL 115 6.642 -23.820 16.422 1.00 61.52 ATOM 1803 HB VAL 115 6.689 -24.771 15.908 1.00 61.01 ATOM 1804 CG1 VAL 115 5.841 -22.849 15.555 1.00 65.32 ATOM 1805 HG11 VAL 115 6.327 -22.736 14.596 1.00 63.33 ATOM 1806 HG12 VAL 115 5.785 -21.886 16.043 1.00 61.54 ATOM 1807 HG13 VAL 115 4.842 -23.235 15.407 1.00 11.44 ATOM 1808 CG2 VAL 115 8.071 -23.311 16.614 1.00 42.10 ATOM 1809 HG21 VAL 115 8.546 -23.195 15.650 1.00 41.24 ATOM 1810 HG22 VAL 115 8.633 -24.018 17.206 1.00 72.22 ATOM 1811 HG23 VAL 115 8.052 -22.354 17.120 1.00 53.14 ATOM 1812 C VAL 115 4.487 -24.458 17.575 1.00 5.42 ATOM 1813 O VAL 115 3.574 -23.651 17.745 1.00 55.23 ATOM 1814 N THR 116 4.264 -25.721 17.210 1.00 0.02 ATOM 1815 HN THR 116 5.030 -26.315 17.048 1.00 37.06 ATOM 1816 CA THR 116 2.899 -26.240 17.040 1.00 13.40 ATOM 1817 HA THR 116 2.400 -25.613 16.311 1.00 61.55 ATOM 1818 CB THR 116 2.883 -27.697 16.515 1.00 15.11 ATOM 1819 HB THR 116 3.409 -28.325 17.223 1.00 64.53 ATOM 1820 OG1 THR 116 3.547 -27.771 15.246 1.00 13.20 ATOM 1821 HG1 THR 116 4.462 -28.037 15.380 1.00 4.52 ATOM 1822 CG2 THR 116 1.452 -28.216 16.372 1.00 2.44 ATOM 1823 HG21 THR 116 0.964 -28.208 17.339 1.00 63.30 ATOM 1824 HG22 THR 116 1.470 -29.226 15.990 1.00 2.02 ATOM 1825 HG23 THR 116 0.902 -27.584 15.688 1.00 33.20 ATOM 1826 C THR 116 2.115 -26.179 18.358 1.00 71.21 ATOM 1827 O THR 116 0.940 -25.817 18.371 1.00 33.02 ATOM 1828 N LEU 117 2.777 -26.531 19.461 1.00 23.55 ATOM 1829 HN LEU 117 3.700 -26.855 19.378 1.00 37.06 ATOM 1830 CA LEU 117 2.169 -26.457 20.796 1.00 11.40 ATOM 1831 HA LEU 117 1.320 -27.128 20.809 1.00 74.45 ATOM 1832 CB LEU 117 3.183 -26.916 21.856 1.00 24.14 ATOM 1833 HB1 LEU 117 4.036 -26.253 21.814 1.00 37.06 ATOM 1834 HB2 LEU 117 3.515 -27.912 21.593 1.00 73.25 ATOM 1835 CG LEU 117 2.670 -26.946 23.307 1.00 71.52 ATOM 1836 HG LEU 117 2.361 -25.950 23.591 1.00 14.22 ATOM 1837 CD1 LEU 117 1.458 -27.864 23.441 1.00 34.32 ATOM 1838 HD11 LEU 117 1.728 -28.868 23.145 1.00 11.11 ATOM 1839 HD12 LEU 117 0.661 -27.504 22.807 1.00 2.13 ATOM 1840 HD13 LEU 117 1.122 -27.870 24.468 1.00 33.05 ATOM 1841 CD2 LEU 117 3.780 -27.381 24.261 1.00 32.31 ATOM 1842 HD21 LEU 117 4.107 -28.380 24.007 1.00 20.43 ATOM 1843 HD22 LEU 117 3.409 -27.372 25.276 1.00 3.41 ATOM 1844 HD23 LEU 117 4.614 -26.699 24.179 1.00 52.31 ATOM 1845 C LEU 117 1.676 -25.030 21.096 1.00 55.14 ATOM 1846 O LEU 117 0.617 -24.835 21.699 1.00 12.22 ATOM 1847 N ASN 118 2.449 -24.036 20.661 1.00 21.52 ATOM 1848 HN ASN 118 3.325 -24.253 20.272 1.00 37.06 ATOM 1849 CA ASN 118 2.040 -22.630 20.754 1.00 41.14 ATOM 1850 HA ASN 118 1.765 -22.430 21.781 1.00 44.34 ATOM 1851 CB ASN 118 3.209 -21.713 20.360 1.00 34.32 ATOM 1852 HB1 ASN 118 3.530 -21.961 19.357 1.00 37.06 ATOM 1853 HB2 ASN 118 4.032 -21.874 21.043 1.00 53.21 ATOM 1854 CG ASN 118 2.834 -20.241 20.396 1.00 70.23 ATOM 1855 OD1 ASN 118 2.354 -19.682 19.414 1.00 22.44 ATOM 1856 ND2 ASN 118 3.054 -19.598 21.522 1.00 4.41 ATOM 1857 HD21 ASN 118 3.445 -20.093 22.270 1.00 25.14 ATOM 1858 HD22 ASN 118 2.809 -18.650 21.565 1.00 13.04 ATOM 1859 C ASN 118 0.828 -22.351 19.846 1.00 63.52 ATOM 1860 O ASN 118 -0.179 -21.802 20.286 1.00 22.20 ATOM 1861 N LYS 119 0.939 -22.755 18.580 1.00 25.11 ATOM 1862 HN LYS 119 1.747 -23.241 18.311 1.00 37.06 ATOM 1863 CA LYS 119 -0.102 -22.501 17.573 1.00 64.22 ATOM 1864 HA LYS 119 -0.198 -21.430 17.466 1.00 31.24 ATOM 1865 CB LYS 119 0.320 -23.092 16.221 1.00 41.14 ATOM 1866 HB1 LYS 119 -0.490 -22.961 15.515 1.00 37.06 ATOM 1867 HB2 LYS 119 0.507 -24.149 16.346 1.00 31.12 ATOM 1868 CG LYS 119 1.576 -22.451 15.630 1.00 41.23 ATOM 1869 HG1 LYS 119 2.378 -22.527 16.351 1.00 37.06 ATOM 1870 HG2 LYS 119 1.374 -21.408 15.426 1.00 43.34 ATOM 1871 CD LYS 119 2.010 -23.131 14.333 1.00 13.03 ATOM 1872 HD1 LYS 119 2.248 -24.166 14.543 1.00 37.06 ATOM 1873 HD2 LYS 119 2.890 -22.632 13.955 1.00 14.51 ATOM 1874 CE LYS 119 0.919 -23.079 13.268 1.00 74.23 ATOM 1875 HE1 LYS 119 0.048 -23.606 13.634 1.00 37.06 ATOM 1876 HE2 LYS 119 1.281 -23.567 12.375 1.00 32.13 ATOM 1877 NZ LYS 119 0.532 -21.684 12.930 1.00 70.44 ATOM 1878 HZ1 LYS 119 0.149 -21.201 13.768 1.00 55.31 ATOM 1879 HZ2 LYS 119 -0.195 -21.685 12.189 1.00 51.35 ATOM 1880 HZ3 LYS 119 1.360 -21.154 12.586 1.00 41.13 ATOM 1881 C LYS 119 -1.468 -23.077 17.985 1.00 10.35 ATOM 1882 O LYS 119 -2.484 -22.382 17.937 1.00 5.40 ATOM 1883 N VAL 120 -1.486 -24.347 18.390 1.00 20.02 ATOM 1884 HN VAL 120 -0.641 -24.839 18.444 1.00 37.06 ATOM 1885 CA VAL 120 -2.736 -25.026 18.757 1.00 20.43 ATOM 1886 HA VAL 120 -3.407 -24.935 17.912 1.00 74.10 ATOM 1887 CB VAL 120 -2.513 -26.542 19.020 1.00 32.11 ATOM 1888 HB VAL 120 -3.457 -26.974 19.329 1.00 44.45 ATOM 1889 CG1 VAL 120 -2.069 -27.252 17.741 1.00 21.54 ATOM 1890 HG11 VAL 120 -1.122 -26.847 17.412 1.00 42.33 ATOM 1891 HG12 VAL 120 -2.810 -27.102 16.969 1.00 24.31 ATOM 1892 HG13 VAL 120 -1.960 -28.310 17.932 1.00 74.54 ATOM 1893 CG2 VAL 120 -1.496 -26.771 20.140 1.00 62.34 ATOM 1894 HG21 VAL 120 -1.861 -26.330 21.056 1.00 73.24 ATOM 1895 HG22 VAL 120 -0.554 -26.313 19.873 1.00 5.24 ATOM 1896 HG23 VAL 120 -1.348 -27.833 20.286 1.00 43.43 ATOM 1897 C VAL 120 -3.415 -24.375 19.978 1.00 71.21 ATOM 1898 O VAL 120 -4.617 -24.117 19.960 1.00 10.31 ATOM 1899 N THR 121 -2.643 -24.088 21.026 1.00 3.02 ATOM 1900 HN THR 121 -1.685 -24.289 20.984 1.00 37.06 ATOM 1901 CA THR 121 -3.195 -23.469 22.242 1.00 51.32 ATOM 1902 HA THR 121 -4.077 -24.031 22.525 1.00 32.52 ATOM 1903 CB THR 121 -2.195 -23.526 23.418 1.00 54.41 ATOM 1904 HB THR 121 -2.622 -22.999 24.261 1.00 11.10 ATOM 1905 OG1 THR 121 -0.961 -22.892 23.050 1.00 40.41 ATOM 1906 HG1 THR 121 -0.322 -23.561 22.775 1.00 5.52 ATOM 1907 CG2 THR 121 -1.929 -24.970 23.835 1.00 34.44 ATOM 1908 HG21 THR 121 -2.857 -25.436 24.138 1.00 32.05 ATOM 1909 HG22 THR 121 -1.236 -24.982 24.664 1.00 25.03 ATOM 1910 HG23 THR 121 -1.505 -25.516 23.005 1.00 72.50 ATOM 1911 C THR 121 -3.608 -22.010 21.995 1.00 33.43 ATOM 1912 O THR 121 -4.610 -21.536 22.538 1.00 4.53 ATOM 1913 N ALA 122 -2.836 -21.303 21.174 1.00 5.24 ATOM 1914 HN ALA 122 -1.995 -21.696 20.855 1.00 37.06 ATOM 1915 CA ALA 122 -3.195 -19.945 20.753 1.00 0.41 ATOM 1916 HA ALA 122 -3.310 -19.341 21.643 1.00 12.05 ATOM 1917 CB ALA 122 -2.080 -19.340 19.908 1.00 50.31 ATOM 1918 HB1 ALA 122 -2.339 -18.325 19.641 1.00 52.53 ATOM 1919 HB2 ALA 122 -1.949 -19.927 19.010 1.00 72.10 ATOM 1920 HB3 ALA 122 -1.160 -19.339 20.474 1.00 73.13 ATOM 1921 C ALA 122 -4.520 -19.943 19.973 1.00 23.32 ATOM 1922 O ALA 122 -5.370 -19.073 20.170 1.00 21.35 ATOM 1923 N ASP 123 -4.690 -20.929 19.092 1.00 11.44 ATOM 1924 HN ASP 123 -3.951 -21.554 18.932 1.00 37.06 ATOM 1925 CA ASP 123 -5.939 -21.100 18.342 1.00 63.44 ATOM 1926 HA ASP 123 -6.141 -20.172 17.823 1.00 43.14 ATOM 1927 CB ASP 123 -5.778 -22.223 17.310 1.00 5.23 ATOM 1928 HB1 ASP 123 -5.598 -23.156 17.827 1.00 37.06 ATOM 1929 HB2 ASP 123 -4.930 -22.003 16.676 1.00 43.25 ATOM 1930 CG ASP 123 -7.006 -22.384 16.431 1.00 24.45 ATOM 1931 OD1 ASP 123 -7.844 -23.262 16.724 1.00 45.51 ATOM 1932 OD2 ASP 123 -7.141 -21.633 15.444 1.00 53.22 ATOM 1933 C ASP 123 -7.115 -21.404 19.291 1.00 25.15 ATOM 1934 O ASP 123 -8.227 -20.909 19.101 1.00 15.11 ATOM 1935 N ILE 124 -6.855 -22.223 20.313 1.00 62.24 ATOM 1936 HN ILE 124 -5.975 -22.655 20.360 1.00 37.06 ATOM 1937 CA ILE 124 -7.847 -22.510 21.358 1.00 31.13 ATOM 1938 HA ILE 124 -8.743 -22.880 20.876 1.00 44.41 ATOM 1939 CB ILE 124 -7.330 -23.602 22.339 1.00 42.14 ATOM 1940 HB ILE 124 -6.396 -23.258 22.760 1.00 51.41 ATOM 1941 CG1 ILE 124 -7.081 -24.925 21.593 1.00 24.00 ATOM 1942 HG11 ILE 124 -6.387 -24.748 20.784 1.00 37.06 ATOM 1943 HG12 ILE 124 -8.015 -25.282 21.183 1.00 1.13 ATOM 1944 CG2 ILE 124 -8.312 -23.816 23.492 1.00 64.43 ATOM 1945 HG21 ILE 124 -7.913 -24.552 24.175 1.00 14.52 ATOM 1946 HG22 ILE 124 -9.257 -24.164 23.102 1.00 21.14 ATOM 1947 HG23 ILE 124 -8.463 -22.883 24.017 1.00 55.23 ATOM 1948 CD1 ILE 124 -6.508 -26.027 22.463 1.00 51.05 ATOM 1949 HD11 ILE 124 -7.192 -26.243 23.272 1.00 35.34 ATOM 1950 HD12 ILE 124 -5.558 -25.710 22.870 1.00 1.33 ATOM 1951 HD13 ILE 124 -6.364 -26.916 21.868 1.00 72.24 ATOM 1952 C ILE 124 -8.197 -21.235 22.151 1.00 5.52 ATOM 1953 O ILE 124 -9.318 -21.077 22.638 1.00 24.12 ATOM 1954 N GLY 125 -7.229 -20.329 22.268 1.00 53.32 ATOM 1955 HN GLY 125 -6.355 -20.514 21.867 1.00 37.06 ATOM 1956 CA GLY 125 -7.451 -19.067 22.969 1.00 20.42 ATOM 1957 HA1 GLY 125 -8.512 -18.861 22.994 1.00 37.06 ATOM 1958 HA2 GLY 125 -6.961 -18.279 22.417 1.00 11.35 ATOM 1959 C GLY 125 -6.915 -19.063 24.397 1.00 35.42 ATOM 1960 O GLY 125 -7.518 -18.468 25.293 1.00 24.33 ATOM 1961 N LEU 126 -5.778 -19.724 24.609 1.00 44.52 ATOM 1962 HN LEU 126 -5.359 -20.199 23.861 1.00 37.06 ATOM 1963 HA LEU 126 -5.901 -19.601 26.677 1.00 42.21 ATOM 1964 CB LEU 126 -4.513 -21.155 26.165 1.00 34.14 ATOM 1965 HB1 LEU 126 -4.047 -21.160 27.141 1.00 37.06 ATOM 1966 HB2 LEU 126 -3.746 -21.313 25.419 1.00 43.25 ATOM 1967 CG LEU 126 -5.500 -22.334 26.101 1.00 13.02 ATOM 1968 HG LEU 126 -5.955 -22.358 25.120 1.00 45.44 ATOM 1969 CD1 LEU 126 -4.771 -23.659 26.306 1.00 53.52 ATOM 1970 HD11 LEU 126 -4.300 -23.666 27.280 1.00 63.42 ATOM 1971 HD12 LEU 126 -4.017 -23.778 25.542 1.00 55.25 ATOM 1972 HD13 LEU 126 -5.478 -24.474 26.243 1.00 54.51 ATOM 1973 CD2 LEU 126 -6.614 -22.167 27.134 1.00 13.21 ATOM 1974 HD21 LEU 126 -6.187 -22.128 28.126 1.00 64.04 ATOM 1975 HD22 LEU 126 -7.295 -23.003 27.068 1.00 63.31 ATOM 1976 HD23 LEU 126 -7.153 -21.250 26.939 1.00 41.35 ATOM 1977 CA LEU 126 -5.135 -19.766 25.931 1.00 51.02 ATOM 1978 C LEU 126 -4.066 -18.658 26.073 1.00 15.25 ATOM 1979 OT1 LEU 126 -4.446 -17.482 26.271 1.00 37.06 ATOM 1980 OT2 LEU 126 -2.853 -18.963 25.996 1.00 37.06 ATOM 1981 OH2 TIP3 1 -0.055 -44.720 16.408 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 0.827 -44.606 16.017 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 0.085 -44.548 17.359 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -6.592 -40.065 14.369 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -6.168 -39.670 13.574 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -7.461 -40.383 14.039 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -10.387 -44.275 15.666 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -9.464 -44.205 16.006 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -10.679 -45.141 15.954 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -4.591 -41.023 16.163 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -5.421 -40.818 15.687 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -3.895 -40.634 15.598 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -3.264 -39.587 14.151 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -3.156 -38.621 14.027 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -4.020 -39.815 13.579 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -2.599 -44.758 18.986 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -3.218 -44.048 18.681 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -2.424 -45.282 18.171 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -9.358 -41.960 18.242 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -9.288 -41.919 19.212 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -8.726 -42.650 17.985 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 3.858 -38.939 16.570 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 3.255 -38.223 16.866 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 4.747 -38.534 16.625 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -10.304 -41.551 15.693 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -10.492 -42.507 15.557 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -9.964 -41.509 16.617 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -2.319 -46.372 16.826 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -1.504 -45.959 16.473 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -2.940 -46.373 16.056 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -6.531 -42.569 19.926 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -5.866 -42.403 20.628 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -7.368 -42.212 20.301 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -2.062 -43.259 21.240 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -1.871 -42.327 20.970 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -2.170 -43.739 20.387 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -4.008 -46.517 14.693 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -4.071 -47.029 13.884 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -4.321 -45.618 14.432 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -11.151 -39.179 14.629 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -12.081 -39.330 14.436 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -10.872 -39.988 15.121 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -7.880 -44.110 16.660 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -7.457 -44.598 17.406 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -7.166 -43.990 16.020 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -1.840 -39.634 17.047 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -1.264 -39.348 16.308 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -1.320 -40.329 17.497 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -15.347 -35.619 23.304 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -14.896 -34.775 23.085 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -16.225 -35.350 23.581 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -8.825 -41.808 21.182 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -9.188 -40.973 21.545 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -8.718 -42.385 21.973 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -4.378 -42.915 18.207 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -4.419 -42.398 17.370 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -5.292 -42.879 18.554 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -6.766 -45.089 18.909 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -6.771 -44.225 19.367 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -6.109 -45.616 19.405 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -4.618 -46.258 20.172 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -3.895 -45.675 19.869 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -4.472 -47.092 19.673 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 0.643 -36.361 15.258 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -0.026 -35.739 15.628 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 1.212 -35.801 14.710 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -4.556 -41.945 21.687 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -4.823 -41.915 22.638 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -3.745 -42.489 21.686 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -4.643 -44.011 13.822 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -3.815 -43.787 14.302 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -4.686 -43.353 13.106 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -1.691 -47.046 20.417 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -2.237 -47.704 19.957 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -1.667 -46.291 19.807 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -3.059 -39.210 10.813 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.544 -38.849 10.039 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -2.398 -38.525 11.015 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -7.098 -37.449 15.095 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -6.857 -38.379 14.898 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -7.155 -37.418 16.075 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -9.085 -40.591 13.380 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -9.700 -39.841 13.385 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -9.412 -41.169 14.094 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -3.149 -36.896 34.510 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -3.554 -36.003 34.540 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -2.443 -36.810 33.840 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -3.957 -43.924 28.195 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -4.674 -43.336 27.884 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -3.984 -44.677 27.581 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -6.700 -40.895 29.553 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -7.619 -40.666 29.710 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -6.243 -40.631 30.374 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -6.073 -42.318 27.215 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -6.212 -41.770 28.018 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -6.969 -42.412 26.834 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 0.673 -43.318 38.698 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -0.050 -42.743 38.375 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 0.551 -44.162 38.204 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -1.031 -45.839 33.473 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -0.317 -45.663 34.119 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -1.702 -45.144 33.657 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -3.231 -41.852 32.278 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -3.211 -41.151 32.954 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -3.158 -42.685 32.795 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -11.697 -37.612 27.211 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -10.949 -37.421 27.822 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -12.419 -37.862 27.796 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -1.454 -40.695 20.559 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -1.669 -39.742 20.569 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -0.951 -40.817 19.724 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -7.359 -40.983 35.591 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -7.199 -40.382 34.860 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -7.136 -40.461 36.387 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -6.579 -37.449 24.768 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -6.708 -38.365 24.450 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -6.447 -36.941 23.956 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -5.249 -36.325 26.948 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -5.777 -36.621 26.173 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -5.183 -37.109 27.499 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -4.656 -46.291 22.911 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -3.687 -46.174 22.961 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.838 -46.355 21.949 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -0.182 -45.184 30.923 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -0.578 -45.532 31.749 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -0.846 -44.528 30.596 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -8.718 -42.643 26.238 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -9.489 -42.088 25.966 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.110 -43.345 26.767 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -8.825 -43.272 38.725 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -9.576 -42.941 39.225 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -8.090 -42.662 38.958 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -4.906 -47.309 30.792 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -5.454 -46.687 31.272 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -4.186 -47.535 31.426 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -5.405 -42.022 24.291 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -5.655 -42.968 24.370 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -5.368 -41.712 25.210 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -5.950 -44.688 24.632 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.567 -45.299 23.957 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -5.515 -44.952 25.459 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -10.969 -41.477 25.306 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -11.209 -40.524 25.240 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -11.401 -41.879 24.546 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -11.687 -38.928 24.741 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -11.634 -38.406 25.570 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -12.337 -38.439 24.192 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -2.058 -43.396 30.169 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -2.711 -43.641 29.474 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -2.554 -42.800 30.764 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -6.842 -39.729 23.179 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.780 -39.794 22.913 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -6.611 -40.629 23.467 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -4.449 -42.569 37.617 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -3.892 -41.849 37.238 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -4.511 -43.230 36.897 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -8.147 -43.183 23.505 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -8.375 -42.890 24.405 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -7.502 -43.898 23.647 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -7.408 -43.594 36.344 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -8.062 -43.599 37.068 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -7.477 -42.688 35.964 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -1.996 -45.618 22.728 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -1.716 -46.267 22.040 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -2.012 -44.761 22.256 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -4.978 -44.641 35.805 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -5.902 -44.303 35.917 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -4.997 -45.519 36.211 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -13.652 -37.766 23.144 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -14.099 -36.906 23.328 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -14.351 -38.318 22.782 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -4.056 -46.125 26.413 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -3.777 -46.610 27.228 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -4.244 -46.827 25.775 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -0.899 -48.377 27.216 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -1.755 -47.997 27.478 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -0.240 -47.800 27.649 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -3.209 -47.518 28.626 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -3.967 -47.394 29.242 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -2.513 -47.917 29.192 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -1.468 -45.172 25.398 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -1.616 -45.345 24.443 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -2.330 -45.354 25.809 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -3.013 -43.986 33.982 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.819 -44.267 34.470 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.427 -43.623 34.683 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -2.085 -46.073 36.252 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -2.760 -46.487 36.847 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -2.196 -46.538 35.411 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -4.532 -38.143 36.624 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -4.006 -38.920 36.928 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -3.905 -37.631 36.077 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -3.734 -39.738 34.212 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -3.538 -40.073 35.111 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -3.570 -38.778 34.275 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -6.925 -37.573 32.089 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -6.406 -38.388 31.941 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -6.703 -37.309 33.009 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -5.437 -40.127 31.979 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -4.858 -40.859 31.690 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -5.058 -39.859 32.838 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -9.633 -39.526 22.613 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -9.957 -38.741 22.119 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -10.128 -39.492 23.449 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -6.552 -41.784 39.118 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -5.844 -42.160 38.544 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -6.706 -40.887 38.747 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -5.923 -47.673 39.514 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -6.655 -48.204 39.836 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -6.283 -46.757 39.487 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.599 -41.354 42.540 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -2.183 -40.524 42.876 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -3.086 -41.072 41.729 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -0.488 -41.310 40.581 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -0.676 -41.300 39.618 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -1.350 -41.483 40.988 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -3.821 -41.072 40.150 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -4.782 -41.193 40.105 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -3.521 -41.224 39.238 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 0.702 -47.972 39.344 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 0.870 -47.867 40.308 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 1.587 -47.837 38.936 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -6.741 -39.398 37.754 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -5.893 -38.975 37.508 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -7.407 -38.694 37.607 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -6.926 -45.148 39.398 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -6.250 -44.467 39.315 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -7.744 -44.711 39.092 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -3.800 -47.386 37.817 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -3.107 -48.019 38.117 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -4.548 -47.540 38.436 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 1.675 -47.116 41.737 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 1.231 -46.245 41.705 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 2.600 -46.916 41.546 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -1.686 -48.974 38.493 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -1.536 -49.921 38.537 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -0.844 -48.582 38.819 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -5.034 -40.998 43.917 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -5.596 -41.632 43.465 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -4.134 -41.206 43.600 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -4.987 -30.032 11.421 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -5.557 -29.331 11.096 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -5.323 -30.214 12.328 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 0.622 -24.884 10.439 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -0.335 -24.800 10.270 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 1.009 -24.130 9.980 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -12.296 -28.315 17.771 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -12.516 -29.090 17.250 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -11.498 -28.579 18.273 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -7.141 -18.976 15.127 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -7.125 -19.961 15.250 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -7.922 -18.821 14.555 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -8.795 -24.285 14.411 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -8.447 -23.770 15.183 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -8.249 -25.082 14.396 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -5.903 -30.743 13.896 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -6.629 -30.357 14.438 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -5.267 -31.062 14.549 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -7.010 -21.895 11.412 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -7.801 -22.240 11.880 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -7.228 -20.952 11.249 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -9.073 -24.592 18.797 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -9.741 -23.946 19.102 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -8.611 -24.126 18.064 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -2.987 -31.867 11.408 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -3.598 -31.103 11.285 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -3.467 -32.455 12.012 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -11.585 -25.750 17.200 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -12.196 -25.185 17.721 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -11.921 -26.662 17.348 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -5.113 -21.642 13.400 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -5.766 -21.845 12.695 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -5.654 -21.610 14.218 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -5.283 -38.690 12.439 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -4.947 -37.827 12.734 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -4.703 -38.928 11.694 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -1.892 -23.819 9.562 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -2.742 -23.467 9.218 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -1.446 -23.030 9.932 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -6.658 -22.702 8.815 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -6.715 -22.533 9.781 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -7.508 -22.411 8.474 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -11.148 -23.525 15.669 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -11.306 -24.268 16.291 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -10.454 -23.863 15.071 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -9.134 -27.238 16.649 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -9.854 -26.578 16.729 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -8.319 -26.693 16.560 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -11.049 -22.884 19.608 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -10.953 -21.934 19.367 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -11.797 -23.195 19.052 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -9.382 -22.216 12.731 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -9.675 -21.626 13.448 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -9.206 -23.067 13.185 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -13.241 -23.882 18.360 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -13.625 -23.336 17.635 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -13.831 -23.717 19.126 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -7.618 -36.865 17.706 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -8.479 -37.056 18.090 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -7.604 -35.892 17.619 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -8.268 -31.145 18.147 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -9.078 -31.595 18.475 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -7.615 -31.273 18.880 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -7.682 -29.692 15.757 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -8.178 -28.875 15.939 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -7.826 -30.241 16.554 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -6.447 -34.782 14.691 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -6.633 -35.744 14.686 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -6.843 -34.468 15.526 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -9.749 -28.769 18.772 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -9.464 -28.194 18.025 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -9.164 -29.548 18.709 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -3.974 -22.259 8.603 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -3.937 -21.664 9.389 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -4.931 -22.486 8.522 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -0.284 -31.378 11.750 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -0.035 -31.869 12.557 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -1.263 -31.414 11.742 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -10.270 -32.529 19.402 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -10.188 -32.476 20.380 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -10.192 -33.473 19.209 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -7.805 -34.052 17.084 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -7.766 -33.106 17.300 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -8.763 -34.264 17.104 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -2.987 -32.399 15.762 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -3.334 -32.357 16.676 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -2.030 -32.402 15.873 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -2.109 -21.264 13.576 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -2.329 -20.352 13.307 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -2.975 -21.668 13.764 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -11.866 -20.813 23.113 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -10.952 -21.002 22.799 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -12.092 -21.585 23.659 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -11.669 -24.602 21.579 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -11.370 -23.929 20.924 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -11.232 -25.427 21.285 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -9.978 -26.634 20.520 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -9.981 -27.441 19.962 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -9.562 -25.951 19.947 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -14.176 -33.183 22.863 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -14.079 -32.502 23.539 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -13.895 -32.735 22.031 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -6.881 -25.747 16.403 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -6.131 -25.815 17.001 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -7.222 -24.832 16.546 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -9.838 -36.870 15.361 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -10.321 -37.674 15.071 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -8.915 -37.033 15.083 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -10.575 -32.529 22.171 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -10.331 -32.115 23.031 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -10.850 -33.440 22.420 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -10.343 -35.080 17.313 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -11.297 -34.977 17.265 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -10.136 -35.741 16.606 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -11.149 -37.275 21.960 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -12.033 -37.562 22.250 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -11.121 -36.328 22.197 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 0.137 -28.455 8.664 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -0.374 -27.658 8.440 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 0.904 -28.112 9.167 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -1.270 -26.036 8.042 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -1.532 -25.252 8.575 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -2.103 -26.488 7.864 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 0.378 -19.387 14.488 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 0.970 -19.381 15.281 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -0.235 -18.653 14.652 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -1.718 -32.844 9.167 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -2.134 -32.435 9.955 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -1.003 -32.231 8.933 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 0.186 -33.125 13.852 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -0.508 -33.786 13.714 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 0.999 -33.543 13.485 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -3.222 -35.038 10.024 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -2.675 -34.353 9.577 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -3.843 -34.527 10.566 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -0.221 -19.239 11.738 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 0.057 -19.146 12.673 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -1.174 -19.022 11.752 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -13.657 -22.276 16.189 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -13.408 -21.335 16.092 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -12.885 -22.761 15.842 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -12.306 -19.883 16.214 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -12.247 -19.680 17.165 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -11.398 -20.137 15.970 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -9.874 -21.098 15.286 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -8.930 -21.301 15.492 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -10.366 -21.874 15.638 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -5.271 -33.337 12.726 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -5.689 -32.466 12.850 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -5.767 -33.929 13.344 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -2.903 -34.245 13.752 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -2.894 -33.667 14.544 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -3.751 -34.029 13.315 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 0.123 -39.434 12.462 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -0.496 -39.002 11.856 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 1.006 -39.079 12.194 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -3.145 -36.940 13.308 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -3.121 -36.016 13.634 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -2.440 -36.969 12.633 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 0.530 -22.320 7.735 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -0.327 -21.976 7.375 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 0.636 -23.192 7.303 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -2.316 -20.988 30.443 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -2.612 -20.482 29.665 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -2.669 -21.879 30.299 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -4.847 -23.941 30.304 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -5.767 -24.290 30.324 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -4.396 -24.502 29.643 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -10.348 -32.194 31.169 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -10.315 -32.886 30.482 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -9.765 -32.530 31.868 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -7.400 -29.720 29.412 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -6.888 -30.390 29.878 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -7.259 -28.895 29.945 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -9.827 -23.925 29.909 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -10.557 -24.538 30.039 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -9.812 -23.386 30.740 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -9.671 -37.243 31.934 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -8.720 -37.464 31.951 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -9.816 -36.759 32.771 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -6.516 -30.848 22.948 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -7.146 -30.328 23.488 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -6.109 -31.467 23.588 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -6.925 -31.756 20.409 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -6.814 -31.256 21.250 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -6.602 -32.653 20.627 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -9.687 -22.625 32.234 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -9.693 -21.667 32.426 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -9.564 -23.043 33.114 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -6.281 -36.895 34.757 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -5.710 -37.348 35.411 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -6.067 -35.955 34.865 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -5.156 -28.685 37.096 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -4.499 -29.325 37.452 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -4.798 -27.803 37.362 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -10.136 -30.088 29.418 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -9.181 -29.920 29.551 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.389 -30.648 30.185 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -11.858 -34.778 22.968 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -11.825 -35.077 23.910 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -12.722 -34.334 22.893 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -9.783 -34.130 29.262 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.253 -34.970 29.118 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -8.899 -34.404 29.576 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -10.236 -31.607 24.737 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -9.521 -30.941 24.712 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -10.337 -31.814 25.687 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -1.851 -16.808 37.894 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -2.623 -16.965 38.447 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -1.757 -15.825 37.885 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -8.304 -33.832 32.424 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -8.076 -34.398 31.660 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -7.580 -33.166 32.450 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -7.274 -28.573 33.734 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -7.510 -29.087 34.532 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -6.444 -28.982 33.431 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -8.376 -29.581 24.516 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -8.757 -28.831 24.013 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -8.466 -29.308 25.457 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -8.124 -25.618 33.220 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -7.944 -26.403 33.766 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -8.589 -25.003 33.826 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -7.339 -27.067 36.521 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -8.026 -27.736 36.439 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -6.531 -27.578 36.728 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -7.356 -24.857 30.746 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -8.141 -24.540 30.249 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -7.694 -25.003 31.661 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -9.739 -21.460 28.434 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -9.793 -22.333 28.869 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -9.936 -21.654 27.487 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -8.848 -28.993 27.119 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -8.132 -29.251 27.735 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -9.649 -29.029 27.665 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -10.115 -18.596 28.519 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -10.135 -18.190 27.617 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -10.143 -19.559 28.349 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -3.130 -21.001 36.608 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -3.763 -20.879 35.859 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -2.508 -20.260 36.514 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -11.717 -23.667 24.135 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -11.737 -23.960 23.196 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -11.456 -24.476 24.628 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -10.598 -17.444 26.094 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -11.335 -16.815 25.972 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -10.398 -17.753 25.190 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.497 -32.038 27.546 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -10.411 -31.254 28.131 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.154 -32.780 28.090 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -6.137 -32.139 32.050 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -5.319 -32.510 31.699 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -5.845 -31.368 32.576 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -9.910 -36.963 29.220 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -10.053 -37.124 30.182 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -8.969 -36.743 29.157 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -12.138 -35.435 25.550 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -11.951 -36.205 26.117 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -12.443 -34.744 26.176 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -10.269 -22.048 25.818 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -9.771 -21.604 25.122 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -10.876 -22.645 25.335 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -9.216 -23.576 34.731 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -9.679 -22.791 35.098 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -8.522 -23.783 35.403 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -10.608 -26.022 25.129 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -10.031 -26.287 25.854 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -10.331 -26.592 24.381 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -9.862 -27.716 23.067 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -10.490 -28.406 22.825 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -9.717 -27.222 22.228 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -12.876 -31.858 20.873 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -12.567 -31.686 19.977 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -12.050 -31.998 21.386 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -7.204 -24.359 36.303 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -7.223 -25.334 36.449 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -6.310 -24.092 36.581 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -7.182 -27.653 31.071 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -7.223 -26.683 30.971 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -7.376 -27.806 32.019 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -3.314 -30.387 38.111 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -3.377 -31.355 38.247 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -2.937 -30.049 38.958 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -1.472 -29.213 36.484 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -2.176 -29.603 37.043 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -0.923 -29.990 36.214 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -8.223 -37.295 36.703 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -9.144 -37.080 36.504 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -7.755 -37.146 35.855 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -7.154 -30.177 36.018 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -6.416 -29.644 36.387 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -6.939 -31.091 36.280 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -6.358 -32.514 37.351 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -6.870 -32.343 38.148 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -6.468 -33.482 37.198 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -6.546 -35.194 37.476 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -6.034 -35.292 38.307 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -7.104 -35.994 37.442 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -1.888 -25.162 37.705 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -1.843 -24.969 36.744 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -1.169 -25.808 37.848 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -10.357 -21.136 35.239 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -9.982 -20.669 34.460 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -11.102 -20.594 35.502 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -5.497 -22.768 32.640 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -5.245 -23.046 31.724 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -6.158 -23.423 32.913 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -4.915 -20.765 34.578 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -4.972 -21.606 34.089 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -5.516 -20.176 34.100 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -7.463 -35.449 30.310 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -7.203 -36.198 30.888 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -6.602 -35.064 30.015 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -9.538 -35.614 34.168 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -10.262 -35.090 34.519 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -9.015 -34.973 33.635 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.036 -34.475 29.472 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -4.848 -34.818 28.583 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -4.291 -33.865 29.659 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -12.833 -33.454 27.309 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -12.022 -32.901 27.321 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -13.490 -32.920 27.760 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -13.534 -19.009 18.749 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -14.024 -19.830 18.647 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -13.342 -18.964 19.717 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -5.135 -34.902 39.857 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -4.347 -35.485 40.011 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -5.462 -34.712 40.744 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -2.912 -23.460 33.385 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -3.817 -23.178 33.165 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -2.471 -23.554 32.514 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -2.955 -36.306 40.465 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -2.951 -36.618 41.403 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -2.176 -36.716 40.080 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -1.293 -22.488 38.016 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -2.018 -21.975 37.603 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -1.687 -23.368 38.182 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -1.944 -29.374 40.191 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -1.132 -29.821 39.865 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -1.625 -28.558 40.584 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 1.331 -34.276 39.427 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 1.263 -35.227 39.214 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 0.523 -33.886 39.032 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 0.730 -23.795 36.803 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 0.138 -23.309 37.423 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 0.113 -24.197 36.154 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -4.956 -23.128 37.383 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -5.583 -22.541 37.819 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -4.230 -22.538 37.105 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -4.421 -26.145 37.715 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -4.909 -25.311 37.682 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -3.490 -25.868 37.846 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -0.006 -27.034 36.969 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -0.544 -27.861 36.886 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 0.101 -26.734 36.058 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 2.500 -29.093 40.156 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 1.691 -29.513 40.481 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 2.829 -28.567 40.926 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 0.092 -30.872 39.164 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -0.381 -31.719 39.038 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 0.827 -30.917 38.527 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -3.745 -33.080 38.272 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -4.067 -33.733 38.925 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -4.547 -32.840 37.764 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -0.925 -33.245 38.073 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -1.904 -33.293 38.074 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -0.696 -33.029 37.150 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -4.888 -38.336 44.414 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -5.011 -39.290 44.213 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -5.172 -38.250 45.326 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -0.830 -14.240 14.262 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -1.058 -13.707 15.050 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 0.038 -13.888 13.981 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -0.996 -12.731 16.528 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -0.704 -12.728 17.469 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -1.511 -11.922 16.440 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -2.828 -17.053 16.343 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -3.516 -17.476 15.793 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -2.069 -16.967 15.748 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -9.581 -18.712 13.855 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -9.893 -19.493 14.358 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -10.017 -17.949 14.305 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -3.024 -16.327 21.848 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -2.091 -16.051 21.922 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -3.206 -16.303 20.892 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -10.546 -16.937 15.695 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -9.796 -16.991 16.318 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -11.321 -16.777 16.263 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -6.395 -16.877 19.227 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -6.947 -16.497 19.926 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -6.064 -17.720 19.615 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -13.148 -14.805 21.455 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -12.717 -15.184 20.651 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -13.613 -14.034 21.127 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -4.734 -17.900 14.463 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -5.519 -18.420 14.761 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -5.116 -17.100 14.082 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -8.174 -17.428 17.183 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -7.455 -17.177 17.800 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -7.731 -17.993 16.515 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -10.232 -17.693 18.958 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -9.863 -17.509 19.852 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -9.459 -17.618 18.359 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -3.569 -16.327 18.916 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -4.541 -16.399 18.959 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -3.348 -16.606 18.000 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -12.141 -15.715 19.141 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -12.668 -15.849 18.331 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -11.482 -16.438 19.115 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -3.001 -15.796 24.652 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -3.515 -16.442 25.192 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -3.144 -16.091 23.727 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -10.731 -20.357 18.687 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -9.767 -20.533 18.737 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -10.807 -19.397 18.873 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -13.125 -17.029 16.931 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -13.328 -17.653 17.668 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -13.185 -17.578 16.139 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -9.424 -16.899 21.414 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -9.738 -16.013 21.623 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -9.758 -17.453 22.155 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -10.800 -18.203 23.410 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -11.086 -19.136 23.420 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -11.635 -17.699 23.284 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -0.387 -15.849 22.530 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -0.516 -16.435 23.302 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 0.217 -16.352 21.947 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -8.618 -19.682 11.438 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -9.197 -20.456 11.500 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -8.919 -19.102 12.167 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -2.790 -18.710 12.700 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -2.222 -17.982 13.037 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -3.629 -18.605 13.204 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.028 -16.925 13.868 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -0.066 -16.879 13.664 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -1.285 -15.980 13.980 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -3.763 -20.869 10.957 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -3.474 -20.009 11.292 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -4.216 -21.279 11.716 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -14.144 -23.323 20.912 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -14.018 -22.526 21.437 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -13.467 -23.940 21.248 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 0.370 -20.872 31.077 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -0.567 -21.025 30.832 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 0.491 -19.910 30.968 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -5.404 -15.520 32.477 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -4.461 -15.772 32.634 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -5.694 -15.163 33.323 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 1.157 -14.384 36.879 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 1.054 -14.732 35.969 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 2.056 -13.999 36.880 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -3.493 -15.960 28.227 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -3.766 -16.527 27.458 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -4.186 -15.266 28.261 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -6.702 -20.276 32.309 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -7.032 -20.212 31.376 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -6.298 -21.167 32.357 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -9.392 -19.943 32.969 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -9.702 -19.250 32.345 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -8.421 -19.960 32.843 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -6.049 -13.743 24.451 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -6.279 -14.516 25.005 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -6.680 -13.051 24.731 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -3.355 -13.189 24.094 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -4.336 -13.162 24.036 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -3.163 -14.119 24.347 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -3.256 -11.294 26.140 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -2.477 -11.370 26.711 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -3.096 -11.937 25.418 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -5.623 -11.549 27.425 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -4.834 -11.433 26.844 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -5.319 -11.226 28.300 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -7.505 -11.623 25.455 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -7.651 -10.709 25.208 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -6.901 -11.569 26.230 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -5.641 -14.231 28.134 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -6.153 -14.788 27.508 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -5.741 -13.321 27.781 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -4.425 -13.722 30.554 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -4.889 -14.270 31.216 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -4.928 -13.877 29.723 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -13.245 -19.073 21.459 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -12.794 -19.728 22.028 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -13.374 -18.298 22.043 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -12.358 -16.981 31.679 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -11.442 -17.325 31.576 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -12.437 -16.796 32.615 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -14.381 -15.713 27.640 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -13.707 -16.238 28.139 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -15.203 -15.886 28.103 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -7.254 -17.493 31.722 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -6.594 -16.784 31.856 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -6.785 -18.307 31.967 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -0.831 -18.006 24.471 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -1.541 -18.252 25.121 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -0.924 -18.659 23.772 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -12.580 -17.192 28.960 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -11.774 -17.698 28.749 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -12.555 -17.098 29.937 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -12.668 -15.574 25.554 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -12.264 -14.718 25.728 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -13.386 -15.642 26.230 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -2.814 -16.222 32.907 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -2.662 -17.081 32.456 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -1.939 -15.799 32.908 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -4.052 -11.075 29.639 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -3.153 -11.030 29.262 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -4.066 -11.918 30.127 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 1.759 -12.182 26.877 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 1.108 -12.842 27.181 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 1.337 -11.335 27.055 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 2.679 -12.492 21.978 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 3.339 -12.488 22.706 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 1.837 -12.656 22.421 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -1.043 -13.118 22.551 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -0.780 -14.063 22.591 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -1.876 -13.080 23.072 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -1.396 -11.359 28.585 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -1.041 -12.247 28.404 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -0.789 -10.996 29.266 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -0.221 -15.324 32.087 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 0.579 -15.588 31.589 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -0.849 -15.026 31.388 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 0.713 -11.079 30.423 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 0.721 -11.588 31.250 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 1.561 -10.586 30.442 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 0.908 -16.781 38.282 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 1.106 -15.885 37.950 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -0.062 -16.798 38.357 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -1.297 -14.140 38.088 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -1.380 -13.273 38.495 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -0.416 -14.120 37.652 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -0.725 -18.992 36.532 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -1.196 -18.244 36.959 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 0.214 -18.857 36.787 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -7.770 -20.053 29.832 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -8.400 -20.644 29.367 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -7.839 -19.216 29.355 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -2.120 -18.404 31.413 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -2.246 -18.225 30.454 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -2.253 -19.370 31.487 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -9.876 -17.935 31.165 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -8.938 -17.660 31.292 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -9.931 -18.164 30.207 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -6.645 -15.932 26.123 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -7.347 -16.586 25.956 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -5.816 -16.475 26.142 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -13.157 -16.876 23.190 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -13.121 -16.457 24.078 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -13.216 -16.113 22.568 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 9.753 -37.704 -5.951 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 9.666 -38.640 -5.737 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 8.918 -37.304 -5.607 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 17.010 -36.090 1.697 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 17.357 -36.077 0.788 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 16.652 -35.190 1.826 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 10.799 -38.065 0.843 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 10.878 -39.043 0.850 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 11.427 -37.785 0.172 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 16.129 -36.617 -5.719 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 16.694 -36.095 -6.323 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 15.595 -37.161 -6.307 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 10.266 -35.967 2.529 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 10.261 -36.763 1.948 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 11.113 -36.019 2.991 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 7.424 -36.800 -4.885 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 6.692 -36.518 -5.453 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 7.030 -36.834 -3.984 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 11.391 -40.772 0.674 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 11.643 -41.167 1.516 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 11.388 -41.509 0.056 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 16.487 -36.871 -3.014 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 15.775 -37.484 -2.811 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 16.427 -36.746 -3.989 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 8.069 -46.781 18.063 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 8.145 -45.948 18.575 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 8.190 -47.478 18.725 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 14.805 -44.654 12.101 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 14.999 -44.877 13.041 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 14.699 -45.508 11.675 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 7.837 -37.395 12.559 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 8.703 -37.687 12.208 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 7.728 -37.919 13.378 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 9.264 -43.095 17.171 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 9.197 -42.530 16.370 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 9.755 -42.524 17.817 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 5.331 -43.549 17.501 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 5.644 -43.057 18.296 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 6.142 -43.757 17.020 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 2.698 -43.477 16.558 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 2.455 -42.537 16.429 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 3.661 -43.454 16.741 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 13.662 -42.127 12.174 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 14.198 -42.914 11.932 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 13.140 -42.424 12.927 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 12.757 -39.742 11.126 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 13.079 -40.652 11.329 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 13.271 -39.479 10.330 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 14.721 -39.210 16.823 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 14.961 -40.096 17.143 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 14.467 -38.720 17.640 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 12.502 -46.899 18.356 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 12.246 -46.003 18.634 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 12.570 -46.832 17.388 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 3.264 -42.832 21.834 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 2.296 -42.935 21.834 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 3.453 -42.379 22.666 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 10.267 -38.847 12.060 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 11.137 -39.010 11.635 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 10.120 -39.632 12.600 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -3.648 -48.142 18.472 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -3.179 -47.582 17.812 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -4.006 -48.869 17.951 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -2.170 -43.668 14.954 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -1.409 -43.999 15.467 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -1.814 -42.890 14.474 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 12.050 -33.926 10.041 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 11.363 -33.259 9.860 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 11.552 -34.691 10.373 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -3.702 -41.786 12.054 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -3.568 -41.043 11.441 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -2.837 -41.892 12.489 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 13.122 -37.617 6.865 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 13.184 -38.083 7.718 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 12.242 -37.169 6.900 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 13.304 -50.683 24.593 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 14.002 -51.323 24.753 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 13.607 -50.191 23.792 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 1.170 -43.917 18.778 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 1.748 -44.435 19.372 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 1.735 -43.750 17.992 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 7.518 -48.068 20.806 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 8.031 -47.289 21.107 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 7.057 -48.370 21.611 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 8.752 -45.796 21.724 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 9.715 -45.769 21.924 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 8.649 -45.191 20.955 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 3.623 -45.139 19.096 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 4.130 -44.573 18.486 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 4.091 -45.997 19.069 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 12.696 -45.419 15.965 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 11.738 -45.587 15.815 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 12.707 -44.788 16.714 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 8.098 -40.215 19.764 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 8.224 -39.257 19.911 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 8.857 -40.475 19.200 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 5.495 -47.139 19.155 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 6.033 -47.744 19.701 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 6.047 -46.980 18.370 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 15.756 -41.664 17.969 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 16.541 -41.117 17.716 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 15.800 -42.424 17.377 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 10.014 -45.654 16.342 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 9.326 -46.205 16.759 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 9.750 -44.738 16.558 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 9.507 -40.866 15.562 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 8.866 -40.175 15.310 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 10.055 -40.448 16.268 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 4.989 -37.817 12.414 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 4.941 -38.633 12.960 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 5.944 -37.700 12.243 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 9.605 -41.652 21.555 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 10.126 -41.895 20.768 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 8.900 -41.080 21.198 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -0.105 -41.470 18.308 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 0.166 -42.360 18.618 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 0.617 -41.202 17.700 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 0.471 -42.754 22.381 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -0.334 -43.199 22.056 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 0.337 -41.826 22.143 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 4.935 -45.701 21.544 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 4.259 -45.077 21.212 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 5.232 -46.171 20.742 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 8.239 -44.380 19.394 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 7.564 -43.723 19.670 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 8.665 -43.967 18.612 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 6.365 -42.362 19.768 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 6.875 -41.519 19.788 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 5.719 -42.266 20.484 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 11.350 -45.695 22.706 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 12.181 -45.388 22.286 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 11.658 -46.257 23.449 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 12.346 -43.968 18.310 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 11.720 -43.224 18.352 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 13.066 -43.708 18.922 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 -4.321 -37.433 9.192 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 -5.030 -37.218 8.579 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 -3.948 -36.562 9.446 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -1.376 -41.457 13.568 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 -1.981 -40.775 13.940 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 -0.684 -40.937 13.114 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 15.144 -45.445 14.717 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 15.713 -45.770 15.437 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 14.238 -45.469 15.100 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 13.353 -39.135 13.778 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 14.043 -39.797 13.923 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 13.150 -39.208 12.822 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 14.382 -43.202 19.942 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 14.877 -42.628 19.319 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 14.578 -42.824 20.826 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 13.317 -49.052 19.765 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 12.955 -48.240 19.327 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 12.809 -49.773 19.380 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 14.500 -39.042 9.013 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 15.009 -38.881 8.195 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 15.194 -39.237 9.685 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 2.348 -36.812 17.395 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 2.296 -35.862 17.630 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 1.735 -36.899 16.638 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 5.964 -37.287 15.716 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 6.524 -36.588 16.118 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 5.267 -36.791 15.233 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 1.848 -40.815 16.468 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 2.613 -40.220 16.629 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 1.208 -40.250 15.975 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 0.175 -39.050 15.197 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 0.107 -39.263 14.242 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 0.313 -38.076 15.213 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 4.566 -39.951 14.088 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 3.808 -40.485 13.823 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 4.312 -39.594 14.969 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 15.838 -38.151 6.714 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 14.897 -37.896 6.622 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 16.217 -37.990 5.824 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 4.818 -47.482 28.046 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 4.398 -46.805 27.474 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 5.759 -47.398 27.858 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -1.088 -51.111 27.175 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -1.059 -50.127 27.203 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -0.866 -51.327 26.268 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 3.784 -45.512 26.449 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 4.207 -45.292 25.591 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 2.833 -45.564 26.239 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 14.519 -50.102 29.730 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 13.673 -50.539 29.872 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 15.181 -50.835 29.793 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 10.901 -46.905 31.845 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 11.742 -46.400 31.896 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 10.925 -47.316 30.951 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 14.105 -47.641 28.589 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 14.855 -47.098 28.913 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 14.348 -48.558 28.847 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -1.236 -48.649 30.238 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -1.107 -49.628 30.192 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -0.387 -48.284 29.946 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 7.667 -45.589 24.218 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 7.212 -44.723 24.248 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 8.034 -45.635 23.301 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 17.167 -47.616 35.023 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 18.085 -47.387 35.293 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 16.849 -48.211 35.743 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 5.612 -42.909 33.113 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 4.731 -42.734 33.507 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 6.014 -42.015 33.029 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 6.500 -39.251 35.113 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 5.921 -38.463 35.137 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 6.574 -39.468 34.153 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 6.119 -47.640 23.207 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 5.429 -47.156 22.713 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 6.650 -46.937 23.619 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 15.882 -45.218 38.886 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 16.216 -44.657 38.163 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 14.918 -45.308 38.694 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 3.130 -46.987 30.116 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 3.786 -47.340 29.474 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 3.661 -46.437 30.719 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 8.260 -42.763 23.686 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 8.684 -42.341 22.909 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 9.009 -43.070 24.226 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 3.926 -44.603 35.692 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 3.726 -43.771 35.220 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 4.896 -44.694 35.613 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 -1.432 -43.335 36.044 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 -1.556 -42.677 36.772 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 -1.698 -44.189 36.442 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 1.909 -44.422 32.502 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 1.254 -44.642 31.802 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 1.611 -44.938 33.279 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 12.021 -46.474 35.948 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 12.070 -45.669 35.386 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 12.066 -47.214 35.307 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 0.806 -41.759 35.545 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 0.636 -41.425 36.434 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 0.106 -42.428 35.408 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 11.966 -48.377 33.955 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 11.597 -49.266 33.927 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 11.459 -47.883 33.271 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 10.150 -44.425 24.837 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 9.326 -44.937 24.764 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 10.673 -44.700 24.058 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 7.346 -47.489 26.322 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 6.733 -48.087 25.869 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 7.473 -46.752 25.687 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 11.892 -44.990 29.007 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 11.882 -45.961 28.940 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 12.830 -44.769 29.176 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 9.372 -44.177 34.281 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 10.327 -44.336 34.426 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 9.305 -43.210 34.191 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 11.383 -47.742 29.271 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 10.833 -48.122 28.545 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 12.306 -47.894 28.978 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 12.122 -44.362 34.239 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 12.468 -44.790 33.425 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 12.599 -43.506 34.277 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 -0.799 -51.316 29.870 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 -0.703 -52.245 30.091 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 -0.908 -51.311 28.892 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 10.967 -49.375 24.927 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 11.812 -49.892 24.971 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 10.567 -49.652 24.095 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 9.786 -48.545 27.249 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 10.217 -48.972 26.477 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 8.886 -48.340 26.935 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 3.051 -42.506 34.085 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 2.591 -43.071 33.426 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 2.321 -42.106 34.610 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 8.041 -46.632 28.931 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 8.849 -47.094 29.181 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 7.875 -46.919 28.015 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 14.430 -44.353 29.905 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 14.883 -43.509 29.802 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 15.109 -45.021 29.642 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 0.725 -46.715 28.852 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 1.615 -46.926 29.225 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 0.322 -46.123 29.529 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 1.281 -45.407 35.095 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 0.873 -45.535 35.976 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 2.227 -45.243 35.295 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 6.821 -44.334 35.642 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 7.607 -44.713 35.213 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 6.867 -43.380 35.413 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 14.180 -49.379 22.392 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 14.794 -48.617 22.444 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 13.820 -49.331 21.484 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 1.972 -44.194 24.243 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 1.360 -43.737 23.632 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 1.417 -44.418 25.014 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 11.980 -46.806 25.117 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 11.563 -47.693 25.152 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 11.369 -46.233 25.606 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 10.501 -56.231 37.962 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 10.426 -56.913 37.295 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 11.101 -56.596 38.612 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 13.266 -45.600 32.094 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 13.734 -45.200 31.328 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 13.928 -46.214 32.487 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 2.710 -42.190 40.225 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 2.134 -41.464 40.495 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 2.166 -42.696 39.584 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 6.608 -42.278 37.935 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 6.954 -42.047 37.042 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 5.880 -42.886 37.755 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 0.199 -45.775 37.638 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 -0.669 -45.998 37.232 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 0.363 -46.509 38.266 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 4.420 -41.941 24.768 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 4.595 -42.881 24.569 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 5.281 -41.521 24.701 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 4.479 -45.042 31.674 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 3.548 -44.850 31.916 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 5.000 -44.413 32.215 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 4.656 -44.582 24.016 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 3.677 -44.448 23.969 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 4.888 -44.939 23.132 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 7.504 -41.690 35.411 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 8.239 -41.571 34.774 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 7.052 -40.811 35.415 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 6.152 -44.720 29.510 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 6.856 -45.394 29.391 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 5.640 -45.040 30.280 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 10.878 -44.267 38.903 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 10.396 -45.059 38.593 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 10.374 -43.510 38.510 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 0.916 -44.981 26.672 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 0.021 -45.065 26.253 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 0.872 -45.585 27.446 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 16.341 -46.126 29.315 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 16.817 -46.448 28.516 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 17.059 -45.835 29.922 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 15.861 -44.966 24.109 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 15.469 -45.463 24.857 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 15.123 -44.876 23.475 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 13.940 -45.129 21.939 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 14.030 -44.703 21.065 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 14.463 -45.956 21.860 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 18.256 -44.927 31.017 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 17.817 -44.902 31.899 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 19.090 -45.409 31.183 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 -2.707 -47.707 32.336 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 -2.171 -48.148 31.640 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 -2.073 -47.114 32.784 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 18.804 -42.375 38.743 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 19.482 -42.325 39.435 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 18.481 -41.441 38.654 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 17.537 -47.362 38.980 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 16.925 -46.590 38.986 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 17.487 -47.713 39.902 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 14.533 -46.485 26.023 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 13.685 -46.558 25.530 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 14.321 -46.843 26.907 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 16.202 -48.700 31.464 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 15.617 -48.268 32.115 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 15.589 -49.112 30.826 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 14.721 -47.484 33.512 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 13.952 -47.912 33.930 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 15.440 -47.576 34.172 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 6.857 -38.055 45.538 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 6.863 -37.756 46.457 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 7.698 -37.708 45.171 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 11.538 -41.088 44.638 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 11.796 -40.869 43.718 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 10.616 -41.412 44.554 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 0.804 -44.554 41.250 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 0.645 -44.071 40.412 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 0.230 -44.097 41.901 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 11.387 -38.555 45.627 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 11.396 -39.491 45.331 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 12.052 -38.114 45.047 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 14.073 -38.679 41.595 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 14.422 -38.371 40.734 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 14.781 -39.258 41.940 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 9.922 -46.550 37.647 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 9.925 -47.467 37.937 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 10.671 -46.496 37.010 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 9.284 -39.392 42.596 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 8.969 -40.054 43.241 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 10.168 -39.731 42.321 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 0.678 -43.011 45.242 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 1.569 -43.018 44.881 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 0.115 -43.304 44.498 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 13.321 -45.202 38.067 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 12.937 -45.762 37.367 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 12.544 -44.757 38.469 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 11.118 -42.733 41.148 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 10.190 -42.844 41.375 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 11.249 -43.328 40.378 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 11.786 -40.259 42.035 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 12.604 -39.811 41.731 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 11.801 -41.133 41.576 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 16.320 -40.235 41.770 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 16.255 -39.717 40.927 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 16.310 -41.173 41.472 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 4.868 -38.436 43.750 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 4.456 -39.313 43.666 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 5.484 -38.528 44.516 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 3.068 -46.943 38.464 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 3.289 -46.290 39.160 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 3.348 -46.519 37.645 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 8.879 -41.770 44.154 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 8.828 -42.709 44.368 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 7.952 -41.528 43.912 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 4.391 -35.694 44.188 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 4.424 -36.670 44.244 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 4.787 -35.389 45.036 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 16.476 -42.693 40.514 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 17.391 -42.898 40.272 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 16.004 -43.532 40.387 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 3.430 -45.059 40.491 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 3.866 -44.202 40.387 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 2.537 -44.832 40.824 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 6.494 -41.194 43.056 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 5.514 -41.222 43.055 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 6.743 -41.525 42.161 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 15.723 -37.910 50.717 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 15.927 -37.025 51.106 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 15.525 -38.462 51.482 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 -1.002 -43.520 43.088 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 -1.504 -42.688 42.927 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 -1.685 -44.198 43.146 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 7.107 -42.177 40.619 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 7.135 -43.150 40.773 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 6.882 -42.095 39.668 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 7.010 -44.861 40.775 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 6.503 -45.633 41.039 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 7.245 -45.037 39.832 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 7.606 -45.247 38.179 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 7.263 -44.863 37.349 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 8.425 -45.712 37.906 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 16.754 -43.230 37.223 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 17.456 -42.876 37.820 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 15.970 -42.710 37.448 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 3.800 -40.996 42.603 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 2.882 -40.689 42.775 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 3.717 -41.535 41.793 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 -1.092 -39.425 43.758 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 -0.178 -39.556 43.436 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 -1.098 -39.860 44.643 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 19.861 -44.421 43.307 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 19.857 -43.573 43.797 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 20.729 -44.437 42.862 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 17.610 -45.891 43.016 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 17.002 -45.295 43.462 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 18.487 -45.443 43.095 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 1.203 -40.213 42.394 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 0.556 -40.658 41.801 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 1.449 -39.391 41.905 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 13.554 -40.750 46.693 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 12.971 -41.038 45.964 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 12.941 -40.450 47.384 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 9.354 -27.896 -5.030 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 9.032 -27.530 -5.886 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 8.760 -28.649 -4.862 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 8.677 -22.648 -5.826 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 8.995 -22.853 -6.712 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 8.823 -23.467 -5.324 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 17.599 -35.327 -7.699 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 18.062 -34.457 -7.794 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 18.245 -35.971 -8.012 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 6.139 -33.080 -8.665 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 6.565 -32.441 -9.271 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 6.733 -33.864 -8.688 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 11.695 -29.808 -6.696 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 12.409 -30.418 -7.002 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 11.221 -30.321 -6.025 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 4.596 -29.759 -6.183 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 3.831 -29.548 -5.608 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 4.314 -30.577 -6.666 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 16.875 -30.227 -2.581 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 17.300 -30.283 -3.460 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 15.968 -29.960 -2.776 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 6.729 -33.335 -5.774 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 6.050 -33.622 -5.120 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 6.240 -33.274 -6.614 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 11.538 -25.483 -5.700 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 12.088 -24.721 -5.995 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 10.718 -25.073 -5.372 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 9.053 -25.168 -4.478 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 8.089 -25.049 -4.311 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 9.141 -26.124 -4.688 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 13.692 -31.549 -7.237 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 13.841 -32.131 -7.992 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 14.017 -32.067 -6.470 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 3.921 -32.020 -7.516 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 3.161 -32.471 -7.893 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 4.690 -32.395 -8.004 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 5.274 -27.545 -4.340 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 5.607 -28.082 -5.076 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 4.326 -27.787 -4.282 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 14.567 -32.967 -5.069 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 13.966 -33.700 -5.321 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 15.364 -33.412 -4.758 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 5.228 -34.386 -3.707 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 5.546 -35.178 -3.235 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 4.705 -33.904 -3.038 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 11.765 -20.378 -6.503 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 11.794 -19.556 -7.049 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 11.993 -21.084 -7.123 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 11.674 -18.061 -7.971 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.942 -17.764 -8.847 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 11.106 -17.354 -7.644 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 7.938 -26.719 -7.011 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 7.339 -25.994 -6.739 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 8.312 -26.408 -7.864 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 19.095 -28.009 -4.416 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 18.502 -27.270 -4.692 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 19.306 -27.812 -3.481 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 9.344 -23.373 -11.004 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 10.148 -23.913 -10.855 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 9.514 -22.916 -11.831 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 5.576 -28.897 -10.700 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 6.013 -29.764 -10.688 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 5.566 -28.624 -9.760 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 7.230 -29.726 -5.515 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 6.310 -29.950 -5.778 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 7.759 -29.912 -6.319 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 9.180 -32.552 -6.743 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 8.310 -32.807 -6.368 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 9.660 -33.401 -6.825 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 6.379 -25.095 -4.040 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 6.210 -24.703 -4.928 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 5.915 -25.964 -4.073 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 3.599 -29.873 -1.789 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 3.523 -30.123 -0.861 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 4.555 -29.942 -1.980 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 13.296 -23.491 -6.335 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 13.796 -22.801 -5.889 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 13.979 -24.141 -6.611 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 9.581 -25.613 -1.810 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 9.539 -25.382 -2.759 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 8.686 -25.380 -1.472 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 8.414 -34.474 -3.811 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 7.960 -33.889 -4.447 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 8.303 -35.364 -4.189 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 6.377 -36.517 -2.322 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 6.079 -37.166 -1.674 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 6.894 -35.869 -1.792 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 6.243 -29.756 -2.860 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 6.031 -28.819 -3.027 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 6.656 -30.055 -3.694 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 5.786 -28.160 -8.077 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 6.632 -27.962 -7.629 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 5.312 -28.745 -7.448 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 8.890 -30.113 -7.767 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 9.782 -29.737 -7.699 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 8.998 -31.046 -7.453 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 2.824 -28.833 -4.198 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 3.029 -29.258 -3.331 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 1.882 -28.633 -4.145 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 7.941 -35.152 -8.549 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 8.140 -35.889 -9.131 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 8.752 -35.045 -8.012 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 7.026 -24.792 -1.343 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 6.313 -25.235 -0.868 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 6.701 -24.738 -2.270 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 6.371 -24.447 -6.675 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 6.609 -23.515 -6.787 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 5.971 -24.700 -7.539 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 4.999 -26.384 -11.594 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 4.636 -26.403 -12.482 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 5.178 -27.329 -11.386 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 5.647 -25.592 -9.076 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 5.522 -26.504 -8.737 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 5.311 -25.636 -10.003 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 6.086 -18.329 2.104 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 5.304 -18.605 1.616 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 6.556 -17.723 1.481 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 8.375 -25.330 -9.329 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 7.399 -25.423 -9.370 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 8.566 -24.559 -9.911 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 7.486 -30.945 -10.085 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 7.912 -30.559 -9.290 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 8.100 -30.748 -10.801 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 10.307 -35.065 -7.011 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 10.222 -35.936 -6.584 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 11.254 -34.838 -6.903 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 14.855 -29.771 -4.804 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 14.527 -30.687 -4.848 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 15.813 -29.850 -5.017 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 16.687 -25.051 -2.859 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 16.528 -24.118 -2.610 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 15.796 -25.452 -2.872 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 8.735 -21.553 3.032 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 7.876 -21.177 3.327 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 8.517 -22.027 2.204 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 11.271 -31.851 3.279 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 11.436 -32.287 4.142 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 10.306 -31.667 3.292 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 6.410 -31.955 -1.181 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 5.546 -32.334 -1.450 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 6.512 -31.163 -1.753 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 3.921 -33.037 -1.621 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 3.034 -32.815 -1.933 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 3.854 -32.971 -0.640 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 7.348 -29.783 5.353 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 7.153 -30.192 6.222 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 7.716 -30.519 4.819 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 6.735 -32.415 1.506 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 7.510 -33.022 1.502 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 6.680 -32.097 0.578 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 8.496 -32.623 7.212 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 8.029 -33.475 7.384 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 7.799 -31.949 7.310 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 13.436 -30.918 1.705 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 12.867 -31.284 2.409 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 12.974 -31.158 0.885 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 15.951 -30.599 4.813 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 16.166 -31.548 4.671 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 15.398 -30.602 5.627 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 9.003 -33.901 1.197 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 9.428 -34.632 1.698 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 8.676 -34.330 0.377 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 9.313 -34.823 4.920 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 9.469 -35.256 4.056 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 8.407 -34.450 4.840 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 19.499 -20.639 -1.599 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 19.369 -21.358 -2.258 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 20.091 -20.003 -2.055 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 11.029 -25.360 -10.095 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 11.540 -26.161 -9.965 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 10.166 -25.553 -9.677 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 15.101 -25.487 -7.026 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 14.643 -26.348 -6.890 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 15.432 -25.538 -7.930 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 20.032 -24.962 -1.742 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 19.803 -25.896 -1.917 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 20.944 -25.005 -1.385 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 13.950 -27.969 -6.832 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 13.199 -28.442 -7.229 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 14.540 -28.679 -6.520 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 17.580 -30.137 -5.264 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 18.085 -29.315 -5.065 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 18.204 -30.677 -5.787 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 18.109 -31.758 1.237 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 17.402 -32.295 1.649 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 18.278 -32.210 0.377 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 11.207 -23.117 1.311 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 11.240 -24.085 1.194 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 10.300 -22.877 1.034 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 18.433 -33.025 -1.120 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 18.238 -33.985 -1.112 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 17.957 -32.691 -1.888 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 9.487 -20.085 -4.954 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 10.249 -20.214 -5.553 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 8.930 -20.873 -5.110 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 13.208 -20.655 -1.057 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 13.816 -20.550 -1.816 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 12.331 -20.515 -1.437 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 7.738 -34.386 -1.197 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 7.316 -33.501 -1.143 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 8.144 -34.400 -2.098 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 13.092 -34.952 -6.509 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 13.773 -34.777 -7.195 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 12.950 -35.924 -6.555 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 15.075 -34.399 -8.319 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 15.171 -34.403 -9.276 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 15.960 -34.664 -7.989 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 12.347 -37.557 -6.883 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 12.372 -38.274 -7.523 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 11.452 -37.619 -6.488 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 16.085 -33.479 2.062 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 15.182 -33.193 1.881 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 16.144 -33.481 3.044 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 13.151 -29.486 9.556 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 13.652 -28.937 8.908 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 13.013 -28.896 10.304 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 10.268 -20.974 9.641 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 9.901 -20.073 9.619 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 9.487 -21.554 9.503 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 2.020 -27.243 10.274 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 2.098 -27.576 11.175 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 1.544 -26.388 10.373 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 0.594 -31.143 9.211 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 0.322 -31.135 10.164 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 0.385 -30.230 8.897 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 4.559 -28.891 8.343 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 4.117 -29.715 8.664 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 4.129 -28.186 8.848 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 9.522 -25.626 4.858 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 8.701 -25.714 4.350 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 9.277 -25.030 5.598 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 -1.942 -21.551 6.891 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 -2.666 -21.833 7.497 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 -2.381 -20.987 6.248 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 7.386 -39.247 14.568 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 6.929 -38.579 15.129 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 6.672 -39.844 14.284 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 14.701 -27.940 7.943 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 14.661 -27.295 7.211 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 15.488 -27.666 8.467 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 5.754 -27.581 5.972 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 6.291 -28.349 5.691 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 5.297 -27.894 6.774 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 8.260 -23.891 6.538 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 7.416 -23.628 6.116 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 8.222 -23.482 7.425 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 16.517 -37.087 4.234 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 15.570 -36.817 4.221 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 16.815 -36.949 3.309 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 3.493 -24.425 6.249 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 3.932 -25.285 6.247 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 2.542 -24.642 6.358 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 5.488 -21.247 10.848 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 5.993 -22.031 11.143 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 5.543 -21.280 9.869 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 10.723 -36.325 6.870 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 10.106 -36.483 7.617 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 10.191 -35.821 6.224 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 4.366 -34.108 9.030 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 4.440 -34.052 10.014 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 3.402 -34.057 8.864 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 11.356 -30.897 8.040 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 10.752 -31.297 8.692 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 12.021 -30.427 8.588 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 8.528 -31.490 3.544 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 8.193 -32.309 3.973 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 8.025 -31.441 2.711 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 3.930 -36.141 14.292 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 3.448 -35.423 13.823 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 4.212 -36.744 13.574 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 1.587 -33.728 8.872 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 1.239 -32.828 9.056 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 0.966 -34.091 8.229 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 6.947 -32.123 10.253 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 6.275 -31.821 10.881 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 6.942 -33.097 10.354 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 3.435 -31.129 9.418 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 2.460 -31.109 9.348 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 3.626 -31.987 9.824 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 5.294 -32.967 6.523 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 5.490 -32.113 6.940 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 4.960 -33.518 7.258 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 3.969 -32.458 1.062 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 3.512 -32.414 1.908 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 4.918 -32.420 1.300 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 1.246 -35.545 11.005 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 1.744 -35.093 11.732 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 1.372 -34.957 10.234 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 8.113 -27.944 3.451 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 7.435 -27.300 3.732 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 7.918 -28.741 3.986 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 11.061 -32.877 5.778 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 10.605 -32.485 6.545 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 10.469 -33.615 5.504 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 6.947 -23.690 11.117 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 7.564 -24.063 11.789 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 6.403 -24.442 10.859 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 8.462 -25.232 12.876 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 8.769 -26.142 12.728 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 8.771 -25.019 13.763 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 8.038 -22.436 8.911 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 7.727 -22.903 9.717 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 7.239 -21.958 8.587 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 10.663 -25.759 0.662 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 9.879 -25.759 1.243 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 10.287 -25.825 -0.239 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 11.017 -31.972 0.572 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 10.317 -32.633 0.436 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 11.116 -31.932 1.543 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 0.734 -24.833 6.554 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 0.278 -24.851 5.704 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 0.161 -25.374 7.144 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 9.676 -32.406 9.630 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 8.897 -32.028 10.085 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 9.336 -32.633 8.731 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 6.544 -30.749 7.845 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 5.909 -30.018 8.020 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 6.675 -31.168 8.726 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 9.533 -34.860 10.925 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 8.641 -34.882 11.335 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 9.586 -33.973 10.525 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 5.997 -23.156 5.086 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 6.032 -22.291 4.628 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 5.075 -23.226 5.397 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 6.915 -33.519 4.379 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 6.314 -33.427 5.159 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 6.324 -33.457 3.617 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 6.676 -25.676 4.206 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 6.447 -24.756 4.470 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 6.245 -26.236 4.893 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 -0.252 -21.691 10.286 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 0.092 -21.814 9.372 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 -0.256 -20.723 10.409 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 8.123 -25.737 1.835 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 7.412 -25.457 2.446 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 8.257 -26.683 2.050 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 11.404 -20.726 2.635 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 11.540 -21.562 2.143 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 10.438 -20.684 2.760 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 2.167 -17.898 11.212 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 1.325 -18.353 11.020 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 1.942 -17.285 11.943 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 15.545 -29.139 2.287 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 15.851 -29.589 3.100 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 14.881 -29.756 1.912 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 13.693 -33.782 5.813 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 12.773 -33.449 5.759 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 13.907 -33.733 6.772 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 14.221 -33.389 8.475 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 14.963 -33.876 8.902 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 13.427 -33.665 8.989 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 14.443 -30.943 7.101 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 14.399 -31.778 7.617 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 14.677 -30.270 7.758 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 -1.371 -36.919 11.160 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 -1.922 -36.250 10.699 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 -0.470 -36.535 11.146 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 6.865 -34.683 11.638 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 6.888 -35.537 12.101 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 5.934 -34.372 11.748 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 2.308 -38.031 11.713 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 2.012 -37.162 11.374 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 3.273 -37.924 11.833 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 9.098 -36.772 9.037 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 9.299 -36.126 9.750 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 9.167 -37.631 9.471 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 13.948 -36.245 4.604 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 13.531 -36.832 5.266 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 13.853 -35.350 4.988 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 3.339 -21.909 7.344 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 3.428 -22.795 6.939 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 2.381 -21.817 7.507 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 7.170 -34.764 8.230 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 7.589 -35.605 8.489 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 6.248 -34.852 8.529 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 16.034 -22.542 36.843 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 16.313 -23.151 36.150 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 16.406 -21.678 36.568 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 5.577 -30.304 36.326 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 4.927 -30.137 35.638 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 5.042 -30.452 37.131 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 16.514 -27.362 32.542 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 17.385 -27.777 32.346 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 16.021 -27.439 31.701 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 4.367 -22.525 39.649 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 3.919 -23.125 39.004 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 4.044 -22.822 40.508 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 -1.215 -24.664 35.110 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 -1.860 -24.119 34.597 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 -1.033 -25.430 34.522 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 1.912 -31.950 37.252 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 1.901 -32.922 37.203 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 1.224 -31.671 36.594 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 16.020 -25.521 40.864 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 16.793 -25.633 40.274 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 15.469 -24.854 40.408 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 14.670 -29.144 33.651 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 14.941 -29.252 34.585 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 15.284 -28.471 33.305 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 6.360 -23.593 35.753 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 7.003 -23.604 36.492 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 6.452 -22.696 35.375 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 11.155 -29.386 44.762 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 10.667 -30.005 45.336 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 11.665 -29.973 44.155 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 18.669 -39.120 52.086 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 18.858 -38.174 52.118 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 19.097 -39.474 52.873 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 10.551 -31.511 46.558 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 11.473 -31.353 46.847 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 10.574 -32.416 46.184 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 13.487 -28.908 46.163 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 12.592 -28.843 45.785 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 13.520 -29.813 46.537 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 14.443 -37.499 48.316 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 14.839 -37.531 49.213 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 15.033 -38.069 47.776 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 9.217 -28.501 40.963 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 8.796 -29.063 41.641 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 10.177 -28.544 41.175 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 15.741 -29.971 41.778 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 15.930 -29.030 41.984 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 15.104 -30.236 42.460 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 11.951 -28.517 40.963 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 12.751 -28.766 40.477 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 12.291 -28.116 41.797 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 14.809 -19.876 44.008 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 15.424 -19.330 43.480 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 14.343 -20.403 43.358 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 11.430 -17.378 38.129 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 12.036 -16.998 37.474 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 10.554 -17.031 37.867 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 7.796 -29.812 37.900 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 7.109 -30.043 37.241 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 7.494 -30.251 38.721 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 12.777 -30.895 43.176 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 12.876 -31.065 42.229 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 12.990 -31.757 43.602 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 10.942 -34.053 45.581 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 11.299 -34.664 46.247 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 11.742 -33.743 45.088 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 2.746 -35.780 41.989 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 3.213 -35.641 42.845 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 2.218 -34.977 41.872 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 6.023 -34.786 46.254 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 6.788 -35.288 46.606 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 6.247 -33.862 46.431 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 6.790 -32.848 42.199 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 7.432 -33.007 42.918 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 6.417 -33.726 42.020 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 12.007 -38.791 48.266 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 11.740 -38.653 47.332 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 12.882 -38.360 48.332 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 3.970 -30.735 38.566 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 3.231 -31.122 38.037 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 3.533 -30.038 39.112 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 7.977 -32.556 46.942 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 8.751 -31.954 46.909 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 8.100 -33.053 47.760 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 6.927 -35.564 43.020 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 6.057 -35.530 43.467 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 7.515 -35.034 43.601 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 8.032 -23.550 37.912 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 7.633 -24.369 38.285 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 7.665 -22.832 38.471 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 6.772 -27.300 41.051 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 7.734 -27.434 40.914 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 6.502 -28.075 41.576 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 1.931 -26.715 38.890 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 2.183 -27.598 39.221 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 1.243 -26.898 38.214 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 12.842 -25.629 38.945 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 13.483 -24.896 39.078 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 13.410 -26.431 38.870 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 16.468 -18.561 42.264 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 17.434 -18.727 42.312 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 16.406 -17.612 42.037 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 12.675 -27.526 43.407 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 12.012 -28.065 43.886 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 13.219 -27.145 44.103 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 6.870 -21.499 39.357 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 6.673 -20.606 39.703 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 6.010 -21.970 39.419 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 3.436 -27.435 42.105 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 3.786 -26.636 41.653 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 3.686 -27.311 43.025 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 4.969 -25.254 41.244 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 5.673 -25.933 41.335 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 5.243 -24.737 40.472 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 8.391 -33.687 44.438 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 9.291 -33.992 44.676 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 8.073 -33.238 45.250 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 9.295 -37.008 44.810 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 10.005 -37.570 45.199 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 9.675 -36.698 43.964 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 4.977 -35.537 40.408 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 4.222 -35.755 40.989 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 4.815 -34.603 40.153 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 13.352 -31.622 46.698 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 13.378 -32.175 45.881 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 13.888 -32.129 47.344 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 3.789 -33.171 39.926 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 3.790 -32.314 39.469 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 2.883 -33.527 39.769 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 13.630 -21.301 39.975 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 14.339 -20.635 39.909 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 12.803 -20.774 39.967 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 15.958 -19.818 39.891 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 16.582 -20.560 39.860 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 16.094 -19.425 40.783 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 6.503 -25.624 38.808 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 5.845 -25.870 38.124 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 6.513 -26.387 39.419 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 7.131 -29.832 42.278 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 6.932 -30.574 42.865 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 6.969 -30.192 41.378 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 6.458 -31.101 39.968 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 5.576 -31.089 39.548 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 6.434 -31.884 40.558 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 15.933 -30.093 38.956 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 15.786 -30.169 39.922 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 16.759 -30.598 38.799 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 9.481 -21.055 38.344 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 9.457 -21.915 37.900 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 8.605 -20.986 38.768 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 4.781 -25.638 36.643 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 5.285 -24.910 36.216 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 4.104 -25.179 37.176 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 16.388 -27.494 42.727 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 17.263 -27.154 42.941 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 16.020 -26.824 42.101 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 15.749 -29.361 44.702 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 14.956 -29.140 45.239 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 15.853 -28.595 44.104 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 18.391 -30.568 42.602 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 18.213 -30.760 43.544 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 17.518 -30.330 42.238 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 16.231 -33.493 45.788 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 15.522 -34.050 45.376 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 15.920 -33.360 46.707 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 14.845 -33.437 48.171 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 15.482 -33.749 48.848 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 14.209 -34.175 48.079 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 -2.790 -37.388 42.935 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 -3.595 -37.624 43.449 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 -2.111 -38.016 43.256 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 10.793 -36.240 48.401 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 11.001 -37.170 48.606 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 11.636 -35.875 48.069 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 17.525 -39.687 49.631 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 16.857 -39.010 49.864 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 18.045 -39.797 50.455 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 13.017 -37.404 43.801 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 13.633 -36.699 44.108 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 13.487 -37.820 43.043 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 -0.953 -40.960 46.020 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 -0.318 -41.678 45.800 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 -1.194 -41.131 46.934 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 1.934 -38.114 40.894 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 1.553 -37.716 40.088 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 2.289 -37.345 41.393 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 8.370 -35.944 47.160 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 8.764 -36.180 46.295 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 9.122 -36.013 47.790 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 13.136 -35.435 47.135 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 13.535 -35.293 46.240 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 13.631 -36.207 47.496 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 10.678 -36.904 42.409 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 10.357 -37.817 42.332 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 11.554 -36.992 42.838 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 11.434 -19.639 39.648 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 10.813 -20.203 39.133 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 11.535 -18.831 39.101 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 2.954 -24.331 38.236 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 2.183 -24.067 37.686 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 2.666 -25.178 38.656 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 14.804 -14.077 -3.009 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 13.833 -13.967 -2.983 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 15.127 -13.524 -2.265 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 18.044 -14.368 -1.210 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 17.270 -13.803 -1.408 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 18.610 -13.801 -0.634 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 16.529 -17.393 -3.096 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 16.460 -16.677 -3.759 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 17.470 -17.381 -2.835 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 12.029 -13.764 -2.670 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 11.471 -13.150 -3.163 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 11.862 -13.543 -1.731 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 11.812 -13.891 0.113 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 11.428 -14.125 0.989 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 12.455 -14.594 -0.055 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 10.415 -18.381 -3.053 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 9.728 -18.385 -2.377 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 10.013 -18.882 -3.806 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 14.793 -16.774 -0.923 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 13.861 -16.642 -1.193 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 15.274 -16.871 -1.769 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 10.673 -15.150 2.237 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 10.352 -14.845 3.121 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 9.946 -15.693 1.896 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 12.695 -19.759 -3.966 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 12.409 -20.042 -4.861 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 11.946 -19.227 -3.635 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 12.126 -16.426 -1.829 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 12.089 -15.614 -2.375 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 11.690 -17.108 -2.381 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 16.886 -15.968 0.700 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 16.074 -16.236 0.219 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 17.428 -15.522 0.019 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 13.822 -11.745 1.732 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 14.476 -12.476 1.754 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 13.052 -12.128 1.289 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 11.709 -16.683 4.376 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 11.018 -16.177 4.844 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 11.721 -16.290 3.486 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 15.758 -10.174 0.510 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 15.016 -10.557 1.029 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 15.466 -9.281 0.302 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 9.635 -15.768 -0.494 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 10.036 -14.913 -0.273 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 10.364 -16.274 -0.892 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 7.073 -16.500 0.328 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 6.525 -15.914 -0.203 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 7.990 -16.289 0.051 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 8.469 -23.187 0.745 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 8.010 -23.235 -0.110 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 8.325 -24.071 1.140 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 6.843 -17.234 4.539 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 6.620 -17.498 3.624 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 6.966 -16.264 4.485 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 17.133 -11.061 2.833 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 18.092 -11.026 3.049 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 17.056 -10.563 1.998 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 16.066 -13.343 1.751 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 16.746 -14.034 1.693 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 16.511 -12.610 2.239 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 15.847 -12.647 -0.899 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 15.838 -12.999 0.016 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 15.946 -11.683 -0.776 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 15.185 -19.856 -2.965 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 15.666 -19.020 -3.142 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 14.363 -19.779 -3.504 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 13.424 -9.097 14.388 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 12.547 -9.347 14.028 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 13.973 -8.933 13.584 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 10.923 -10.184 13.650 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 10.689 -11.131 13.729 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 10.221 -9.815 13.064 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 16.180 -10.933 10.711 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 17.155 -10.830 10.667 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 16.053 -11.808 11.143 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 11.149 -14.698 13.933 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 10.584 -13.901 14.020 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 10.809 -15.303 14.604 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 4.494 -16.352 10.922 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 5.165 -17.053 10.743 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 3.638 -16.824 10.851 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 8.788 -9.374 12.185 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 7.925 -9.043 12.525 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 8.780 -9.133 11.256 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 3.018 -16.553 16.527 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 3.261 -16.477 15.589 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 2.196 -16.018 16.608 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 4.244 -16.368 13.715 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 5.098 -16.130 14.140 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 4.439 -16.336 12.757 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 15.621 -9.799 18.720 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 15.440 -8.942 19.177 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 16.436 -10.130 19.152 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 14.824 -8.966 12.055 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 15.265 -9.735 11.634 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 14.943 -8.253 11.425 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 10.448 -13.103 6.922 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 11.255 -12.626 6.608 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 10.528 -13.092 7.878 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 13.657 -11.811 14.538 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 13.669 -10.834 14.502 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 14.431 -12.041 15.111 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 14.369 -11.656 8.723 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 14.903 -11.253 9.433 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 14.363 -12.606 8.939 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 12.869 -11.931 6.460 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 13.350 -11.701 7.286 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 13.474 -11.648 5.748 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 1.820 -19.071 16.808 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 2.327 -18.235 16.789 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 1.931 -19.396 17.722 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 14.818 -11.370 4.388 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 15.690 -11.134 4.009 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 14.225 -11.399 3.615 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 12.994 -19.071 4.096 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 12.384 -18.308 4.214 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 12.471 -19.713 3.561 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 6.355 -8.364 12.830 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 5.780 -8.819 13.486 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 5.969 -7.488 12.748 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 5.428 -14.416 9.087 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 5.252 -15.087 9.779 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 4.554 -14.125 8.815 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 11.795 -12.346 16.517 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 12.365 -12.525 15.741 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 11.680 -11.373 16.505 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 1.838 -13.609 13.722 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 2.386 -13.272 14.472 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 2.304 -13.301 12.937 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 9.778 -14.647 4.756 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 9.989 -14.051 5.511 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 8.806 -14.572 4.660 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 9.471 -12.510 14.355 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 8.566 -12.645 14.002 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 9.327 -12.253 15.282 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 5.979 -19.042 6.329 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 6.404 -18.349 5.764 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 5.225 -18.589 6.727 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 7.040 -14.465 4.431 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 6.440 -13.874 3.965 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 6.994 -14.162 5.372 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 6.842 -13.034 13.850 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.384 -12.912 13.011 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 6.705 -13.985 14.065 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 5.824 -21.119 8.115 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 6.009 -20.362 7.516 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 4.915 -21.408 7.858 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 6.527 -15.521 14.902 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 6.104 -15.239 15.752 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 7.430 -15.808 15.167 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 15.950 -9.268 15.975 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 15.094 -9.131 15.534 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 15.713 -9.451 16.908 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 10.633 -12.898 21.100 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 9.773 -12.902 20.631 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 11.296 -13.061 20.387 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 15.471 -7.558 20.234 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 15.079 -7.791 21.103 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 16.236 -6.992 20.460 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 10.949 -9.707 16.315 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 10.893 -9.767 15.333 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 11.552 -8.968 16.472 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 0.895 -14.842 16.942 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 0.238 -14.268 16.510 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 1.513 -14.215 17.374 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 9.174 -11.744 17.117 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 9.473 -10.819 16.988 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 10.005 -12.264 17.088 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 6.386 -20.493 3.964 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 6.237 -20.078 4.840 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 6.274 -19.754 3.331 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 2.909 -20.574 11.770 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 3.810 -20.838 11.484 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 2.871 -19.616 11.580 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 18.539 -10.133 16.009 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 17.606 -9.810 15.941 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 19.005 -9.414 16.493 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 4.739 -9.613 14.691 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 5.261 -10.241 15.229 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 3.825 -9.875 14.846 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 7.085 -13.602 6.977 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 7.765 -13.035 7.361 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 6.559 -13.905 7.748 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 12.373 -13.242 19.052 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 13.333 -13.062 19.124 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 12.157 -13.009 18.126 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 19.685 -12.017 6.124 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 18.990 -11.695 6.741 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 20.461 -12.160 6.694 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 5.279 -15.073 17.240 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 4.409 -15.523 17.265 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.383 -14.697 18.138 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 6.093 -11.629 16.054 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 6.455 -12.103 15.271 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 6.835 -11.596 16.675 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 17.611 -11.261 19.932 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 17.831 -12.151 19.595 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 18.465 -10.763 19.883 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 8.276 -12.782 19.609 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 7.432 -13.246 19.435 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 8.531 -12.414 18.739 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 3.474 -12.529 15.609 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 3.071 -12.641 16.498 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 4.405 -12.301 15.798 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 14.258 -8.586 22.516 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 13.389 -8.899 22.246 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 14.310 -8.820 23.472 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 17.741 -11.222 7.952 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 18.228 -11.292 8.804 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 16.966 -10.686 8.167 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 18.877 -11.215 10.427 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 18.810 -12.038 10.962 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 19.703 -10.794 10.745 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 16.303 -12.855 6.230 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 15.745 -12.240 5.718 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 16.805 -12.278 6.835 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 15.482 -12.575 16.308 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 15.143 -12.480 17.214 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 16.079 -13.359 16.358 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 1.094 -17.454 20.739 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 1.320 -18.243 20.221 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 0.531 -16.922 20.131 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 1.581 -16.324 13.363 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 2.528 -16.478 13.578 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 1.455 -15.366 13.532 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 -0.563 -16.026 19.086 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 -0.177 -15.739 18.237 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 -1.515 -16.118 18.899 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 6.055 -18.495 10.334 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 5.866 -19.394 10.666 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 6.882 -18.591 9.848 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 11.538 -12.089 28.094 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 11.677 -11.640 27.235 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 10.615 -11.855 28.338 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 8.952 -11.248 28.692 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 8.183 -11.146 28.099 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 8.666 -10.836 29.520 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 3.629 -13.922 35.669 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 3.174 -14.556 35.090 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 3.944 -13.232 35.064 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 13.436 -11.280 29.971 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 13.884 -12.103 30.258 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 12.727 -11.590 29.366 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 -1.933 -14.726 30.037 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 -2.361 -15.294 29.353 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 -2.684 -14.230 30.431 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 2.211 -13.657 29.723 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 1.447 -13.402 29.170 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 2.123 -13.098 30.526 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 -0.640 -15.612 26.137 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 -0.322 -16.452 25.765 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 -1.527 -15.501 25.737 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 4.501 -12.448 26.581 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 4.687 -13.005 27.364 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 3.524 -12.316 26.610 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 11.637 -10.693 25.683 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 10.784 -10.231 25.789 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 11.675 -10.907 24.729 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 17.716 -11.768 33.391 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 17.034 -11.192 32.990 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 18.213 -12.118 32.624 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 14.144 -12.132 22.926 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 14.169 -12.516 23.830 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 14.752 -12.695 22.414 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 15.868 -9.229 34.700 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 16.479 -8.495 34.580 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 15.687 -9.541 33.788 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 6.492 -10.654 27.476 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 6.507 -9.876 26.881 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 5.784 -11.223 27.109 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 4.515 -12.273 33.437 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 5.348 -12.770 33.591 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 4.815 -11.352 33.268 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 11.600 -11.112 22.897 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 12.566 -11.308 22.905 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 11.247 -11.694 22.187 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 4.770 -12.334 23.771 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 5.626 -12.660 23.427 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 4.819 -12.493 24.739 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 18.685 -8.135 22.746 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 18.833 -7.896 23.680 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 18.147 -8.955 22.789 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 17.179 -14.441 38.034 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 16.463 -14.834 38.576 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 17.138 -14.942 37.194 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 14.836 -12.387 35.293 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 15.432 -11.888 34.722 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 14.623 -11.765 36.015 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 15.010 -12.477 19.040 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 15.930 -12.821 18.948 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 15.114 -11.499 18.999 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 2.008 -16.124 30.690 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 2.957 -16.273 30.861 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 1.985 -15.256 30.226 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 1.495 -15.359 34.286 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 1.874 -16.265 34.306 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 0.779 -15.414 33.618 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 5.743 -13.855 19.740 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 5.156 -13.064 19.715 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 5.758 -14.105 20.674 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 -2.397 -18.447 28.710 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 -2.767 -17.545 28.633 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 -2.369 -18.770 27.779 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 2.411 -12.840 18.107 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 3.064 -12.441 18.722 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 1.549 -12.717 18.563 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 5.155 -12.398 30.551 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 4.988 -13.048 29.831 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 4.791 -12.821 31.343 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 7.178 -12.620 22.327 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 7.505 -12.634 21.410 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 7.834 -12.068 22.804 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 6.743 -10.236 30.245 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 6.288 -11.093 30.404 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 6.635 -10.088 29.286 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 9.295 -9.087 25.532 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 9.784 -8.265 25.651 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 8.378 -8.863 25.802 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 15.601 -10.388 32.199 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 15.750 -9.842 31.389 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 14.766 -10.850 32.014 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 1.963 -12.792 32.369 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 2.785 -12.446 32.771 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 1.645 -13.448 33.005 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 15.333 -9.323 29.729 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 15.736 -9.409 28.858 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 14.550 -9.916 29.693 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 -0.779 -10.944 20.951 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 -0.964 -10.171 21.489 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 -0.886 -11.703 21.573 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 6.584 -8.480 25.787 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 5.896 -7.811 25.866 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 6.405 -8.907 24.912 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 2.927 -17.799 34.482 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 3.242 -18.562 33.958 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 2.678 -18.192 35.349 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 14.164 -9.578 25.054 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 14.944 -10.079 25.378 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 13.408 -9.995 25.504 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 4.114 -11.673 19.896 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 3.543 -11.958 20.655 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 4.357 -10.765 20.112 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 14.397 -15.082 35.386 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 14.514 -14.101 35.376 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 13.479 -15.211 35.717 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 6.644 -14.042 33.687 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 6.007 -14.798 33.671 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 7.359 -14.323 33.106 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 16.833 -16.186 35.977 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 15.974 -15.808 35.676 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 16.574 -16.947 36.539 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 -0.134 -12.808 19.108 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 -0.380 -12.070 19.717 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 -0.382 -13.612 19.596 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 6.163 -9.848 23.505 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 5.556 -10.610 23.445 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 7.024 -10.202 23.210 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 4.799 -15.973 33.560 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 4.646 -16.123 32.610 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 4.192 -16.603 34.004 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 8.842 -10.711 23.394 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 9.768 -10.808 23.092 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 8.916 -10.184 24.218 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 17.029 -10.428 22.510 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 17.131 -10.697 21.571 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 16.075 -10.268 22.610 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 6.758 -15.217 36.258 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 6.784 -14.629 35.482 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 5.819 -15.264 36.486 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 5.543 -9.800 32.697 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 5.909 -9.033 33.150 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 6.074 -9.867 31.871 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 9.138 -16.447 36.900 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 9.033 -17.138 36.235 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 8.296 -15.935 36.847 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 10.673 -16.970 33.765 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 11.048 -17.752 33.303 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 10.039 -16.608 33.136 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 11.781 -15.677 35.925 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 10.946 -15.444 36.365 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 11.495 -16.151 35.113 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 3.938 -19.912 38.699 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 4.672 -19.469 39.165 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 4.022 -20.849 38.961 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 8.718 -18.406 40.058 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 9.561 -18.830 40.301 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 8.927 -17.905 39.261 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 16.529 -10.910 25.721 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 17.386 -10.441 25.692 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 16.691 -11.727 25.230 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 15.974 -13.632 21.425 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 16.690 -14.057 20.927 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 15.410 -13.240 20.733 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 19.900 -6.856 34.044 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 20.414 -6.471 34.780 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 20.134 -6.316 33.284 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 17.762 -12.881 23.603 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 17.065 -13.354 23.115 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 17.693 -11.960 23.280 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 13.944 -13.584 25.214 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 13.621 -13.424 26.106 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 13.171 -13.976 24.745 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 3.317 -10.312 30.936 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 3.808 -9.870 31.647 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 3.939 -10.982 30.600 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 15.035 -10.248 37.109 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 15.829 -10.755 37.391 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 15.325 -9.776 36.294 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 17.171 -11.723 37.993 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 17.173 -12.709 38.011 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 17.519 -11.470 38.875 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 2.086 -18.829 36.979 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 2.763 -19.305 37.520 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 1.821 -18.068 37.547 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 -0.140 -13.835 28.151 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 -0.281 -14.474 27.407 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 -0.733 -14.166 28.863 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 0.611 -18.256 31.615 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 1.084 -17.507 31.189 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 -0.339 -18.028 31.517 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 6.073 -19.011 40.331 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 7.014 -18.731 40.213 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 5.773 -18.509 41.096 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 16.176 -18.318 37.680 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 16.596 -18.965 37.068 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 16.030 -18.837 38.506 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 17.137 -16.131 41.102 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 16.477 -16.090 40.382 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 17.461 -15.205 41.183 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 14.991 -8.888 39.494 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 14.152 -8.981 39.955 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 14.850 -9.355 38.639 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 15.278 -16.143 39.075 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 15.527 -16.940 38.554 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 14.348 -16.284 39.293 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 19.643 -18.431 38.817 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 20.211 -18.680 38.070 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 19.598 -17.443 38.767 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 17.660 -48.918 18.002 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 18.563 -48.544 18.147 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 17.817 -49.854 17.839 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 20.462 -39.796 11.711 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 20.982 -40.089 12.489 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 20.758 -40.371 11.000 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 20.030 -42.664 17.333 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 20.770 -42.848 17.949 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 19.290 -43.202 17.686 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 19.578 -42.276 14.694 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 18.850 -42.882 14.524 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 19.771 -42.397 15.655 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 21.654 -40.715 14.020 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 20.927 -41.344 14.236 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 22.374 -40.961 14.645 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 21.929 -43.259 19.231 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 22.026 -43.226 20.210 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 22.598 -42.616 18.910 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 20.199 -48.009 18.294 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 21.092 -48.245 18.023 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 20.311 -47.163 18.781 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 17.818 -40.212 16.990 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 18.507 -40.068 17.666 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 18.243 -39.935 16.152 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 18.977 -39.240 14.590 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 19.340 -39.977 14.076 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 19.366 -38.443 14.176 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 23.432 -41.272 16.065 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 23.238 -41.253 17.026 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 24.307 -41.723 16.011 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 19.733 -35.375 10.683 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 19.876 -34.726 9.962 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 19.899 -34.865 11.499 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 20.420 -45.558 19.488 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 21.090 -44.850 19.351 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 19.616 -45.211 19.047 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 26.028 -41.954 16.550 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 26.580 -41.351 16.019 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 26.195 -41.675 17.470 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 18.901 -37.922 10.321 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 19.507 -38.486 10.844 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 19.222 -37.002 10.491 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 15.676 -47.646 19.393 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 16.339 -48.231 18.964 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 14.873 -48.205 19.468 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 24.683 -38.920 15.316 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 24.255 -39.740 15.625 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 23.936 -38.328 15.108 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 16.678 -39.562 10.538 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 17.391 -38.890 10.486 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 17.103 -40.325 10.937 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 26.697 -43.196 23.663 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 26.038 -42.508 23.489 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 27.025 -42.990 24.563 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 18.139 -44.499 18.304 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 17.732 -44.545 19.199 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 17.598 -45.111 17.762 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 20.967 -45.684 22.256 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 20.100 -45.535 22.690 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 20.743 -45.808 21.310 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 15.782 -47.164 22.036 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 16.595 -46.739 22.339 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 15.918 -47.279 21.066 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 16.191 -34.848 9.826 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 16.271 -35.298 10.680 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 16.655 -35.445 9.197 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 17.548 -36.646 8.236 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 16.978 -37.320 7.804 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 18.090 -37.162 8.871 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 16.547 -46.439 17.045 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 17.029 -47.282 16.975 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 15.978 -46.558 17.831 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 23.616 -41.167 18.828 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 23.492 -40.724 19.690 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 24.557 -40.999 18.614 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 26.218 -40.368 18.831 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 26.806 -39.622 18.612 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 25.932 -40.183 19.747 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 27.281 -39.696 15.555 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 26.369 -39.317 15.499 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 27.738 -39.323 14.794 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 28.368 -38.744 17.908 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 28.099 -39.251 17.113 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 28.844 -39.395 18.462 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 19.835 -36.743 13.571 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 20.258 -35.898 13.316 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 18.918 -36.656 13.237 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 20.387 -34.030 13.035 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 20.822 -33.242 12.688 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 20.115 -33.775 13.940 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 22.042 -38.076 14.782 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 21.877 -38.946 14.367 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 21.385 -37.486 14.367 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 23.970 -45.556 29.810 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 24.642 -45.800 29.133 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 23.210 -45.272 29.294 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 19.070 -44.243 36.220 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 19.601 -43.913 36.968 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 18.153 -43.984 36.446 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 17.034 -47.244 26.877 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 16.233 -46.892 26.437 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 17.128 -48.131 26.521 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 20.607 -46.379 31.481 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 21.253 -47.022 31.167 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 19.932 -46.927 31.956 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 28.344 -38.948 31.052 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 29.296 -39.081 31.013 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 27.985 -39.838 31.300 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 24.346 -42.190 30.740 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 24.453 -42.922 31.385 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 23.453 -42.345 30.351 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 16.230 -52.152 30.155 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 16.377 -53.118 30.051 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 16.956 -51.863 30.718 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 28.916 -47.176 26.530 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 29.207 -46.301 26.263 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 29.641 -47.755 26.288 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 26.451 -41.882 28.975 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 25.609 -42.108 29.426 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 26.208 -41.174 28.356 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 24.139 -41.340 34.586 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 23.992 -40.812 35.387 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 23.692 -40.827 33.880 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 19.885 -43.283 33.682 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 19.855 -43.892 34.442 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 20.662 -43.586 33.160 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 19.766 -41.047 26.199 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 20.190 -40.898 27.082 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 19.262 -41.865 26.313 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 25.584 -46.068 27.661 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 25.382 -45.742 26.758 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 26.412 -46.554 27.557 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 21.799 -43.983 31.917 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 21.757 -43.497 31.060 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 21.380 -44.852 31.722 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 25.924 -38.115 34.780 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 25.320 -37.344 34.880 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 25.400 -38.868 35.094 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 23.265 -39.319 36.367 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 22.657 -38.549 36.343 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 22.695 -40.061 36.674 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 22.358 -46.145 39.766 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 21.514 -46.466 39.385 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 22.086 -45.617 40.543 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 23.668 -39.621 27.918 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 22.811 -40.116 27.994 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 23.976 -39.539 28.852 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 23.156 -46.588 23.732 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 22.434 -46.221 23.179 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 22.840 -47.460 23.982 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 24.345 -37.099 37.578 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 24.167 -38.041 37.399 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 24.229 -36.668 36.713 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 27.441 -42.292 26.194 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 27.081 -41.383 26.271 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 27.354 -42.655 27.091 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 28.682 -42.178 21.842 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 27.962 -42.747 22.168 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 29.195 -41.963 22.651 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 29.505 -41.506 24.344 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 28.898 -40.744 24.264 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 29.131 -42.030 25.067 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 16.719 -54.862 30.081 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 17.484 -55.426 30.231 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 15.996 -55.478 29.922 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 19.744 -46.741 35.513 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 20.658 -46.614 35.188 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 19.430 -45.826 35.695 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 22.069 -42.749 26.500 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 21.438 -42.047 26.260 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 22.184 -42.641 27.467 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 23.680 -43.038 24.368 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 24.241 -43.796 24.635 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 23.067 -42.919 25.131 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 21.448 -44.130 37.872 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 22.193 -44.176 38.495 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 20.915 -44.931 38.079 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 17.256 -44.643 20.928 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 17.848 -44.697 21.702 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 16.493 -44.145 21.247 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 19.680 -44.028 28.534 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 20.471 -43.563 28.881 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 19.192 -44.296 29.331 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 22.915 -39.503 32.961 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 23.211 -39.486 32.032 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 22.625 -38.586 33.135 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 27.227 -41.325 31.600 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 26.635 -41.813 32.188 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 27.041 -41.695 30.711 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 18.535 -45.073 23.498 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 19.039 -44.794 24.301 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 17.615 -45.183 23.822 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 24.913 -40.734 23.628 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 24.375 -41.524 23.876 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 24.365 -39.975 23.906 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 24.593 -39.724 21.066 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 24.877 -38.810 21.212 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 24.756 -40.163 21.923 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 19.830 -44.211 25.761 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 19.589 -44.364 26.702 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 20.765 -43.937 25.801 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 24.512 -44.060 35.050 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 24.460 -43.083 34.979 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 24.727 -44.350 34.140 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 22.325 -43.317 21.936 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 22.878 -43.151 22.723 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 21.871 -44.159 22.137 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 20.066 -46.515 38.297 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 19.211 -46.823 38.674 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 20.047 -46.840 37.375 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 25.174 -45.295 25.021 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 24.509 -45.841 24.537 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 25.811 -45.032 24.335 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 22.052 -45.186 35.343 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 21.860 -44.745 36.189 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 22.963 -44.897 35.126 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 24.422 -44.450 32.310 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 23.456 -44.307 32.422 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 24.485 -45.011 31.504 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 16.411 -49.100 37.189 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 16.868 -48.509 37.830 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 16.012 -49.779 37.739 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 18.553 -47.769 32.519 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 17.826 -48.122 31.959 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 18.225 -47.879 33.426 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 22.055 -36.866 32.951 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.700 -37.027 32.049 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 21.524 -36.107 33.282 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 28.442 -40.516 39.926 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 29.136 -41.129 39.672 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 27.825 -41.062 40.467 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 21.915 -34.876 35.985 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 21.639 -35.729 36.371 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 21.899 -34.251 36.742 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 28.318 -38.108 36.230 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 27.476 -38.106 35.730 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 28.993 -38.033 35.554 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 27.400 -39.729 24.101 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 27.273 -39.286 24.954 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 26.524 -40.128 23.908 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 19.132 -40.775 41.132 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 18.467 -40.462 40.493 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 18.803 -40.452 41.996 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 24.193 -32.115 52.358 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 25.049 -32.502 52.563 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 24.302 -31.179 52.551 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 17.928 -38.054 45.790 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 17.148 -38.462 46.228 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 18.613 -38.038 46.494 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 22.553 -39.605 44.701 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 23.282 -38.993 44.886 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 22.600 -39.744 43.741 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 17.330 -48.147 41.532 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 17.526 -48.808 42.198 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 17.368 -47.291 42.024 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 24.959 -38.115 44.006 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 25.500 -38.911 43.941 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 25.354 -37.503 43.346 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 24.971 -44.177 41.283 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 24.858 -44.322 40.311 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 25.471 -44.946 41.579 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 21.510 -41.551 42.175 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 20.684 -41.286 41.713 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 22.122 -40.794 42.025 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 19.878 -41.834 44.378 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 19.298 -41.066 44.194 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 20.631 -41.715 43.767 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 23.069 -39.385 41.887 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 23.989 -39.340 41.545 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 22.849 -38.454 42.103 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 22.230 -44.121 41.764 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 23.207 -44.108 41.697 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 21.991 -43.184 41.935 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 18.312 -39.672 43.616 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 17.418 -39.769 43.222 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 18.154 -39.186 44.457 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 26.551 -41.907 41.302 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 25.956 -41.145 41.403 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 25.956 -42.684 41.339 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 24.453 -44.794 38.712 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 23.827 -45.524 38.924 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 24.610 -44.880 37.761 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 25.736 -39.154 41.117 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 25.745 -38.196 41.316 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 26.453 -39.267 40.469 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 15.972 -39.440 47.156 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 15.227 -40.038 46.911 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 16.438 -39.915 47.871 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 19.412 -38.379 48.147 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 18.812 -38.956 48.662 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 19.980 -39.012 47.646 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 20.574 -40.196 46.515 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 21.340 -39.896 45.982 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 20.266 -40.995 46.052 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 19.953 -31.306 -6.337 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 20.430 -30.440 -6.354 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 20.443 -31.829 -5.693 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 25.247 -25.250 -6.205 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 25.025 -24.548 -5.557 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 26.161 -25.070 -6.444 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 17.228 -26.157 -5.264 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 17.042 -25.737 -4.396 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 16.511 -25.839 -5.841 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 23.093 -26.852 -5.731 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 22.605 -26.788 -6.559 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 23.955 -26.417 -5.928 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 26.437 -24.007 -1.263 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 26.773 -23.511 -0.494 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 25.877 -23.364 -1.734 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 23.878 -25.994 -3.118 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 23.506 -26.505 -3.864 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 24.173 -25.157 -3.529 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 26.652 -22.665 1.150 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 26.979 -23.167 1.911 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 26.870 -21.749 1.359 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 21.496 -27.510 0.639 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 21.826 -26.691 0.206 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 22.301 -28.063 0.741 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 16.356 -22.328 -2.479 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 17.316 -22.255 -2.653 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 15.995 -21.459 -2.749 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 22.550 -25.406 -0.751 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 23.108 -24.750 -0.283 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 23.064 -25.623 -1.562 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 21.244 -28.989 -5.802 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 21.988 -28.385 -5.625 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 20.495 -28.599 -5.299 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 27.180 -27.453 1.125 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 27.990 -27.786 0.728 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 26.652 -27.131 0.362 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 19.739 -27.791 -1.599 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 20.437 -27.817 -0.916 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 19.023 -28.344 -1.223 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 19.599 -22.543 0.421 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 20.401 -22.267 0.911 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 19.567 -21.933 -0.344 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 23.999 -23.442 0.649 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 23.752 -23.575 1.594 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 24.967 -23.296 0.678 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 24.015 -28.506 0.980 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 24.510 -28.296 1.799 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 24.568 -28.139 0.270 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 25.634 -26.604 -0.986 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 25.063 -26.685 -1.773 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 26.016 -25.700 -1.065 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 23.857 -31.704 4.545 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 22.967 -32.007 4.795 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 23.823 -31.648 3.561 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 23.369 -31.062 1.943 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 22.405 -31.183 1.841 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 23.558 -30.228 1.470 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 20.732 -31.898 1.983 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 19.789 -31.686 1.801 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 20.897 -32.692 1.462 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 24.325 -23.494 -4.319 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 24.486 -22.990 -3.489 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 23.541 -23.079 -4.696 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 18.983 -22.862 -3.105 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 19.369 -23.582 -2.547 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 18.736 -23.309 -3.925 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 17.860 -29.368 -0.181 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 17.522 -29.750 -1.023 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 17.963 -30.145 0.409 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 19.012 -33.082 -8.189 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 19.276 -32.429 -7.502 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 19.397 -32.738 -9.000 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 17.963 -35.804 -1.008 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 17.371 -36.137 -1.726 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 18.721 -36.398 -1.036 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 21.964 -21.736 1.575 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 22.232 -22.113 2.434 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 22.610 -22.104 0.946 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 24.376 -22.232 -1.910 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.074 -22.603 -1.060 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 23.974 -21.330 -1.931 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 20.008 -17.538 -0.073 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.419 -16.814 0.447 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 19.766 -17.117 -0.920 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 23.029 -19.882 -1.636 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 23.222 -19.172 -1.019 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 22.286 -19.535 -2.175 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 21.263 -17.257 -5.267 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 21.799 -17.052 -6.040 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 20.624 -16.518 -5.215 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 17.900 -29.389 13.276 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 18.826 -29.230 12.982 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 17.645 -28.564 13.702 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 16.992 -27.422 9.444 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 17.630 -26.912 9.985 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 17.108 -28.347 9.753 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 18.988 -26.301 11.132 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 19.360 -27.060 11.622 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 19.688 -25.619 11.188 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 24.458 -26.082 13.289 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 24.976 -26.832 13.647 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 24.204 -25.577 14.068 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 17.727 -32.533 10.044 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 17.115 -33.294 9.988 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 18.563 -32.872 9.669 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 17.562 -29.867 10.513 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 17.642 -29.762 11.480 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 17.557 -30.846 10.379 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 23.881 -29.122 11.601 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 24.438 -29.797 12.045 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 23.380 -28.712 12.336 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 25.524 -28.379 14.462 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 25.605 -29.199 13.931 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 26.241 -28.462 15.136 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 24.612 -33.019 9.862 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 25.172 -33.094 10.662 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 23.782 -33.436 10.115 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 26.305 -30.236 4.473 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 25.622 -30.924 4.573 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 27.153 -30.733 4.497 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 25.532 -27.963 3.266 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 26.230 -27.715 2.615 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 25.925 -28.730 3.757 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 21.615 -30.165 10.366 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 22.519 -29.877 10.602 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 21.685 -30.440 9.436 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 23.192 -26.043 10.889 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 23.791 -26.589 10.349 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 23.633 -26.005 11.771 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 22.706 -28.722 14.150 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 22.346 -29.114 14.966 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 23.615 -28.460 14.393 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 21.784 -29.862 16.631 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 22.317 -29.895 17.437 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 20.937 -29.502 16.920 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 23.696 -24.977 18.159 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 23.687 -24.394 18.959 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 22.777 -25.001 17.878 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 20.123 -33.354 8.874 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 20.570 -32.495 8.795 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 20.080 -33.684 7.945 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 27.626 -39.115 21.270 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 28.277 -39.574 20.704 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 27.759 -39.506 22.153 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 25.286 -32.885 14.928 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 25.844 -33.169 15.663 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 24.390 -32.778 15.333 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 21.301 -31.014 7.677 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 22.266 -31.250 7.651 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 20.953 -31.364 6.836 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 31.009 -30.889 18.096 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 31.793 -30.606 18.571 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 30.306 -30.918 18.786 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 18.666 -30.161 5.370 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 18.677 -29.917 6.324 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 17.721 -30.309 5.172 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 25.995 -33.365 12.260 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 25.710 -33.307 13.200 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 26.660 -34.062 12.259 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 18.842 -29.651 8.018 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 19.679 -30.118 8.185 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 18.384 -29.668 8.881 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 20.887 -31.548 4.709 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 20.923 -31.631 3.732 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.093 -30.982 4.870 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 21.359 -27.134 3.477 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 21.389 -27.281 2.514 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 22.005 -27.774 3.836 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 20.134 -33.757 6.216 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 19.379 -34.297 5.897 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 20.293 -33.117 5.498 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 25.416 -30.808 13.112 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 25.828 -31.450 12.505 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 25.281 -31.320 13.938 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 24.497 -27.124 6.937 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 24.091 -27.967 6.680 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 24.756 -27.262 7.874 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 23.786 -22.621 16.635 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 23.131 -22.316 17.306 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 24.048 -23.502 16.952 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 20.368 -28.634 12.352 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 21.137 -28.527 12.946 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 20.714 -29.179 11.610 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 28.804 -31.443 4.591 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 29.396 -32.224 4.581 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 29.402 -30.697 4.668 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 24.801 -33.705 20.583 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 25.156 -34.271 19.893 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 23.955 -34.140 20.839 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 26.394 -22.963 20.190 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 26.672 -23.518 19.458 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 25.429 -23.149 20.280 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 19.897 -21.599 9.691 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 19.507 -20.896 10.238 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 20.841 -21.596 9.948 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.041 -27.745 9.562 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 24.621 -28.354 10.213 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 25.982 -27.794 9.766 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 24.890 -20.427 15.444 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 24.678 -21.336 15.762 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 24.225 -19.858 15.900 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 21.028 -24.401 11.176 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 21.232 -23.838 11.955 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 21.796 -25.020 11.122 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 23.498 -23.416 3.409 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 23.879 -24.210 3.850 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 23.542 -22.714 4.100 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 24.711 -25.626 4.624 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 24.777 -26.002 5.525 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 25.000 -26.356 4.042 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 28.479 -36.393 16.413 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 28.261 -37.140 17.006 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 29.409 -36.231 16.571 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 30.869 -33.302 4.626 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 31.217 -33.795 3.877 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 31.271 -33.718 5.395 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 29.718 -30.698 15.699 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 30.105 -31.391 15.161 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 30.223 -30.738 16.544 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 22.295 -21.191 10.919 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 23.268 -21.026 10.884 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 22.166 -21.689 11.758 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 23.851 -31.684 7.574 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 24.302 -32.171 8.298 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 24.418 -31.822 6.802 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 21.931 -28.408 6.744 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 22.252 -28.693 5.861 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 21.574 -29.221 7.141 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 32.569 -22.256 25.339 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 31.894 -22.738 24.806 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 33.011 -22.949 25.838 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 22.944 -32.364 16.166 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 22.459 -31.527 16.066 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 22.549 -32.774 16.962 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 23.225 -28.975 4.451 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 24.032 -28.572 4.068 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 23.427 -29.934 4.476 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 29.420 -26.273 24.209 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 30.119 -26.787 24.623 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 28.623 -26.831 24.307 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 27.643 -28.954 16.136 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 27.988 -28.617 16.967 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 28.324 -29.602 15.840 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 29.106 -30.880 20.038 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 28.391 -31.523 20.088 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 28.877 -30.213 20.722 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 26.366 -36.837 21.903 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 26.798 -37.663 21.582 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 27.102 -36.267 22.146 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 22.461 -19.035 6.681 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 22.197 -18.945 7.611 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 21.865 -18.412 6.203 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 16.238 -33.323 4.790 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 16.871 -33.948 5.211 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 15.372 -33.547 5.197 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 23.265 -18.765 16.852 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 23.263 -18.369 17.749 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 22.430 -18.442 16.451 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 26.929 -20.828 21.800 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 26.127 -20.301 21.720 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 26.787 -21.580 21.176 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 19.755 -20.312 14.489 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 19.719 -21.287 14.656 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 20.478 -20.006 15.046 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 26.125 -18.042 16.146 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 25.713 -18.048 17.021 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 25.843 -18.891 15.747 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 26.300 -20.061 13.097 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 27.146 -19.808 13.475 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 25.740 -20.269 13.879 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 17.873 -35.295 5.825 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 17.533 -36.001 5.232 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 17.853 -35.704 6.719 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 23.516 -21.238 5.086 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 22.974 -20.831 5.782 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 24.112 -20.520 4.804 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 29.472 -40.606 19.740 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 29.102 -41.270 20.370 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 30.381 -40.893 19.605 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 18.749 -28.672 31.712 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 18.966 -28.669 30.760 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.641 -29.630 31.934 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 25.591 -19.343 26.679 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 25.643 -20.017 25.981 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 26.517 -19.040 26.789 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 24.691 -33.977 27.739 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 25.228 -34.609 28.238 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 25.332 -33.362 27.361 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 20.470 -34.715 33.659 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 19.609 -34.245 33.765 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 20.900 -34.630 34.540 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 18.323 -25.679 36.267 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 18.089 -25.412 35.347 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 18.664 -24.861 36.674 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 17.610 -24.995 33.692 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 17.147 -25.794 33.368 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 17.806 -24.486 32.876 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 26.047 -37.838 32.012 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 26.010 -37.879 32.992 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 26.946 -38.164 31.794 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 27.413 -28.215 24.407 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 26.560 -28.034 23.949 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 27.163 -28.760 25.164 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 28.413 -29.022 21.919 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 28.794 -28.161 21.718 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 28.070 -28.924 22.828 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 23.072 -19.652 27.683 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 24.038 -19.495 27.577 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 22.929 -20.530 27.265 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 22.043 -30.181 34.253 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 21.233 -29.676 34.454 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 21.720 -30.961 33.768 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 19.374 -29.085 39.281 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 19.112 -28.362 39.862 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 19.140 -28.763 38.380 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 19.156 -23.579 38.011 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 20.083 -23.329 38.056 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 18.673 -22.745 38.212 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 19.399 -29.296 34.375 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 19.342 -28.664 33.637 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 19.006 -30.119 34.011 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 24.680 -15.775 24.937 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 25.036 -15.688 24.020 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 23.944 -15.130 24.962 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 33.445 -19.657 25.076 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 33.015 -20.539 25.146 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 34.383 -19.849 25.130 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 17.953 -23.558 31.315 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 17.878 -23.768 30.359 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 18.018 -22.600 31.341 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 24.914 -33.128 23.225 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 24.778 -34.038 23.578 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 24.984 -33.261 22.252 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 23.341 -31.588 31.519 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 22.429 -31.792 31.829 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 23.555 -30.753 31.952 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 23.542 -36.881 28.093 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 24.220 -36.666 28.768 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 23.618 -37.847 27.978 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 22.392 -32.565 25.758 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 22.244 -32.620 24.803 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 23.288 -32.172 25.838 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 18.155 -25.859 39.167 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 18.553 -25.009 38.884 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 17.852 -26.262 38.338 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 25.422 -36.121 29.953 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 25.085 -35.291 30.370 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 25.614 -36.706 30.719 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 24.477 -34.036 31.371 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 24.113 -33.126 31.275 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 24.546 -34.161 32.323 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 25.165 -28.014 22.835 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 24.780 -28.926 22.869 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 25.297 -27.850 21.892 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 18.444 -28.381 36.778 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 18.881 -28.789 35.995 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 18.406 -27.424 36.556 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 28.160 -22.165 23.811 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 27.967 -21.541 23.072 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 27.623 -22.943 23.606 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 23.178 -21.921 26.093 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 22.958 -22.790 25.743 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 23.951 -21.642 25.568 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 23.883 -25.826 23.893 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 24.361 -26.625 23.587 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 22.993 -26.144 24.098 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 22.706 -17.764 25.671 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 23.437 -17.123 25.731 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 22.833 -18.347 26.446 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 20.929 -32.180 32.608 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 20.844 -33.110 32.900 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 19.998 -31.841 32.619 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 23.910 -19.060 23.612 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 24.444 -19.788 23.979 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 23.417 -18.712 24.383 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 24.683 -35.818 23.811 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 25.229 -36.147 23.066 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 24.195 -36.604 24.108 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 26.245 -39.859 26.868 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.648 -39.174 27.459 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 25.282 -39.769 27.026 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 24.959 -16.042 37.277 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 24.301 -16.196 37.964 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 24.732 -16.693 36.578 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 24.448 -23.267 23.033 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 24.133 -23.279 22.102 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 24.316 -24.190 23.341 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 14.205 -27.966 38.471 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 14.757 -28.677 38.854 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 14.362 -28.037 37.518 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 30.509 -23.664 24.232 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 29.746 -23.093 24.024 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 30.151 -24.573 24.166 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 15.748 -29.239 36.289 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 15.679 -29.702 37.147 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 16.653 -28.874 36.292 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 24.936 -31.539 25.473 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 24.692 -30.766 24.944 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 25.168 -32.217 24.806 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 18.232 -31.422 38.393 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 18.755 -30.614 38.591 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 18.627 -31.767 37.559 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 24.143 -30.483 22.985 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 23.161 -30.546 23.004 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 24.439 -31.412 22.884 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 21.559 -32.949 37.915 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 22.071 -32.159 37.605 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 20.700 -32.869 37.447 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 22.798 -30.816 36.851 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 22.653 -30.509 35.933 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 23.771 -30.773 36.969 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 18.673 -33.258 40.331 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 19.475 -32.822 40.663 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 18.384 -32.687 39.587 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 23.948 -36.260 34.854 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 23.384 -35.552 35.235 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 23.440 -36.570 34.074 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 25.468 -31.106 37.379 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 26.425 -31.050 37.374 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 25.276 -31.896 37.937 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 27.912 -37.998 38.957 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 28.236 -38.863 39.284 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 28.103 -38.019 37.994 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 26.137 -35.935 39.286 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 26.911 -36.535 39.173 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 25.450 -36.322 38.695 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 18.488 -20.924 38.415 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 18.782 -20.074 38.807 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 18.007 -20.657 37.594 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 20.369 -19.875 36.490 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 19.731 -19.527 35.819 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 19.832 -20.475 37.033 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 20.168 -18.068 32.772 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 19.574 -18.526 33.424 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 20.037 -18.559 31.948 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 28.774 -17.531 31.585 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 29.060 -18.048 32.356 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 28.437 -16.697 31.974 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 21.148 -18.106 28.816 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 21.866 -18.750 28.613 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 20.617 -18.089 28.013 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 24.348 -39.463 30.538 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 24.989 -38.947 31.072 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 24.540 -40.400 30.767 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 27.018 -38.109 28.763 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 27.532 -38.367 29.555 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 26.532 -37.311 29.043 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 25.411 -21.234 24.539 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 26.372 -21.308 24.424 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 25.044 -21.943 23.947 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 17.595 -31.233 45.179 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 16.916 -30.517 45.091 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 17.069 -32.031 45.412 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 18.662 -32.096 48.640 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 19.173 -32.207 47.809 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 18.386 -31.173 48.624 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 21.007 -36.435 54.700 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 21.195 -35.797 54.007 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 21.369 -36.038 55.494 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 22.917 -33.776 50.555 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 21.934 -33.709 50.581 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 23.218 -33.150 51.244 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 21.469 -31.766 43.950 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 22.425 -31.972 44.002 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 21.302 -31.645 43.000 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 20.217 -33.683 50.325 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 19.866 -34.561 50.069 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 19.700 -33.055 49.789 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 25.144 -33.269 39.004 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 25.545 -34.155 39.102 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 24.391 -33.278 39.618 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 20.767 -36.154 44.999 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 21.277 -36.539 44.264 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 21.404 -35.546 45.439 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 23.800 -34.433 42.497 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 23.933 -33.719 43.158 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 23.358 -33.979 41.742 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 19.187 -34.800 46.791 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 19.462 -33.898 46.541 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 19.674 -35.380 46.164 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 24.146 -34.576 48.318 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 23.695 -34.217 49.126 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 24.301 -35.503 48.531 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 19.953 -32.200 46.140 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 19.138 -31.759 45.812 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 20.608 -32.051 45.416 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 22.700 -36.866 43.075 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 23.464 -37.213 43.579 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 22.969 -35.951 42.835 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 22.556 -33.094 40.452 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 22.261 -33.179 39.517 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 21.966 -32.407 40.823 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 20.588 -31.256 41.195 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 20.584 -30.617 40.460 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 19.812 -30.987 41.748 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 22.251 -34.319 46.307 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 21.808 -33.478 46.480 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 22.923 -34.387 47.013 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 25.478 -33.019 46.490 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 24.963 -33.542 47.143 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.376 -33.042 46.827 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 19.308 -32.822 36.317 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 18.967 -32.748 35.392 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 19.002 -33.709 36.611 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 19.011 -35.885 49.225 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 19.082 -35.458 48.338 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 19.245 -36.823 49.051 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 14.761 -23.648 39.158 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 14.314 -22.851 39.534 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 15.212 -23.310 38.355 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 17.005 -34.105 49.765 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 17.617 -34.858 49.599 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 17.502 -33.323 49.448 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 16.176 -35.544 51.959 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 16.137 -34.989 52.743 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 16.429 -34.926 51.238 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 24.186 -32.263 44.196 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 24.532 -32.629 45.045 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 24.705 -31.462 44.058 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 25.559 -36.464 41.890 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 24.987 -35.711 42.156 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.891 -36.203 41.000 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.059 -20.079 36.292 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 22.083 -19.944 36.276 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 23.167 -20.971 36.629 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 19.476 -15.170 -4.844 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 18.494 -15.153 -4.897 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 19.729 -14.241 -4.885 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 19.137 -16.531 -2.479 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 19.398 -16.159 -3.348 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 18.727 -15.767 -2.008 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 20.916 -18.694 -2.966 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 21.188 -18.381 -3.859 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 20.286 -18.015 -2.663 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 19.839 -11.316 3.456 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 20.802 -11.350 3.401 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 19.650 -11.482 4.408 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 24.403 -12.322 1.240 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 25.356 -12.456 1.244 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 24.270 -11.577 0.645 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 18.971 -14.783 2.830 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 19.758 -15.241 2.455 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 19.186 -14.677 3.780 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 19.194 -12.921 0.845 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 19.580 -12.166 1.308 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 19.108 -13.605 1.539 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 16.688 -15.088 -4.692 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 16.279 -14.862 -5.535 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 16.081 -14.692 -4.017 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 21.216 -15.861 1.794 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 21.638 -16.539 2.353 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 21.743 -15.049 1.971 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 20.330 -19.503 1.770 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 21.035 -20.157 1.578 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 20.431 -18.822 1.070 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 18.353 -12.697 14.794 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 17.880 -13.280 15.421 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 18.171 -11.795 15.124 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 19.813 -14.626 8.502 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 19.032 -15.166 8.756 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 20.170 -14.313 9.351 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 21.224 -10.581 11.698 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 21.897 -9.913 11.536 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 20.981 -10.452 12.650 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 21.038 -13.314 15.346 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 21.028 -12.733 16.138 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 20.344 -12.939 14.773 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 18.581 -13.324 12.151 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 18.557 -13.150 13.120 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 17.662 -13.598 11.938 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 21.062 -17.400 16.153 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 20.308 -16.913 15.754 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 21.730 -16.704 16.316 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 22.755 -15.183 16.343 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 22.777 -14.804 17.247 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 22.201 -14.548 15.832 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 24.910 -20.531 10.797 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 25.620 -20.755 10.189 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 25.374 -20.339 11.647 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 19.761 -9.645 19.710 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 20.297 -9.094 20.314 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 19.895 -9.235 18.833 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 20.710 -10.035 14.269 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 21.359 -9.692 14.896 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 19.886 -10.107 14.793 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 19.282 -6.014 18.544 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 18.781 -6.218 19.370 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 18.685 -5.446 18.042 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 21.803 -22.691 13.242 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 21.014 -22.903 13.813 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 22.503 -22.493 13.880 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 25.363 -15.410 15.495 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 25.519 -16.375 15.526 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 24.404 -15.316 15.697 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 25.301 -10.584 14.463 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 25.562 -11.529 14.363 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 25.238 -10.262 13.561 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 20.417 -11.727 17.488 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 20.147 -12.372 18.177 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 19.580 -11.316 17.200 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 21.102 -13.321 10.999 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 20.285 -13.542 11.496 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 21.271 -12.383 11.226 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 26.921 -10.787 18.585 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 27.244 -11.690 18.809 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 27.726 -10.283 18.422 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 22.730 -13.784 18.748 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 22.812 -12.805 18.773 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 21.795 -13.948 18.988 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 21.469 -18.733 9.889 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 21.826 -19.572 10.248 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 22.081 -18.060 10.205 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 22.696 -12.243 5.000 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 23.301 -11.602 5.385 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 22.364 -12.754 5.775 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 22.849 -13.889 2.846 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 23.389 -13.355 2.221 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 22.717 -13.291 3.618 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 20.124 -8.309 17.308 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 19.875 -7.441 17.694 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 21.055 -8.184 17.014 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 20.912 -17.207 5.364 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 21.668 -16.963 4.787 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 20.423 -16.372 5.480 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 26.117 -13.157 13.997 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 25.782 -13.908 14.531 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 26.890 -13.512 13.551 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 19.266 -15.566 15.339 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 18.485 -15.256 15.862 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 19.842 -14.784 15.288 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 24.906 -11.291 20.441 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 24.068 -11.224 19.930 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 25.593 -10.983 19.813 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 21.922 -13.390 7.349 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 22.611 -13.639 8.001 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.131 -13.894 7.641 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 20.006 -13.778 19.334 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 19.045 -13.932 19.148 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 20.214 -14.407 20.059 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 28.024 -15.991 16.494 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 27.672 -16.883 16.322 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 27.349 -15.399 16.131 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 24.664 -9.934 17.029 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 25.459 -10.191 17.540 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 24.896 -10.161 16.097 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 23.049 -16.504 3.804 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 23.182 -15.561 3.567 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 23.944 -16.863 3.872 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 19.512 -14.721 5.614 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 19.486 -14.926 6.567 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 19.519 -13.739 5.587 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 19.414 -19.652 11.758 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 19.654 -19.690 12.712 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 20.043 -19.017 11.376 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 21.057 -7.785 21.395 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 21.740 -7.677 22.096 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 20.215 -7.873 21.894 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 23.577 -3.662 20.495 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 23.417 -3.013 19.805 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 22.971 -4.404 20.274 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 22.816 -11.057 18.690 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 23.345 -10.595 18.003 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 21.899 -11.039 18.337 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 24.618 -9.554 22.531 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 24.606 -10.130 21.742 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 25.536 -9.640 22.872 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 25.356 -14.487 18.866 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 25.411 -14.842 17.972 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 24.417 -14.206 18.955 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 22.695 -8.097 16.448 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 23.395 -8.725 16.733 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 23.180 -7.317 16.164 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 29.329 -15.393 18.821 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 29.875 -16.159 19.016 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 28.951 -15.584 17.932 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 27.726 -13.280 19.447 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 26.892 -13.760 19.230 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 28.433 -13.948 19.287 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 27.765 -13.721 24.307 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 27.630 -14.689 24.421 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 27.377 -13.526 23.425 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 15.844 -13.520 11.508 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 15.427 -13.794 10.665 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 15.137 -13.657 12.176 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 13.550 -13.914 12.920 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 13.645 -13.067 13.413 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 12.689 -14.271 13.232 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 17.885 -6.260 20.898 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 18.096 -6.989 21.521 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 18.361 -5.484 21.273 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 23.242 -14.315 9.605 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 22.469 -14.038 10.148 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 23.936 -14.479 10.247 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 19.409 -20.098 4.246 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 19.681 -19.914 3.317 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 20.196 -19.891 4.765 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 24.819 -18.802 5.202 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 25.524 -18.674 5.841 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 23.997 -18.742 5.734 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 32.753 -17.107 24.432 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 32.913 -18.017 24.776 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 32.995 -17.162 23.505 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 26.105 -7.885 26.366 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 25.816 -7.607 27.253 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 25.694 -7.226 25.761 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 26.554 -9.572 30.229 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 27.525 -9.676 30.105 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 26.305 -8.893 29.580 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 25.457 -4.672 30.512 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 26.165 -4.259 31.019 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 25.124 -5.383 31.097 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 23.249 -4.862 28.902 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 22.685 -5.105 29.645 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 24.086 -4.574 29.322 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 29.100 -12.295 28.534 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 29.210 -11.367 28.831 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 29.551 -12.324 27.670 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 24.451 -9.701 31.939 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 23.728 -10.169 31.466 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 25.207 -9.714 31.300 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 33.480 -13.266 28.534 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 33.250 -13.077 27.602 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 32.834 -13.934 28.808 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 24.256 -6.920 31.657 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 24.296 -7.888 31.797 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 23.960 -6.569 32.532 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 19.096 -9.704 25.592 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 19.114 -8.730 25.695 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 19.926 -9.903 25.101 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 31.835 -15.732 28.897 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 31.673 -15.601 27.932 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 32.626 -16.285 28.930 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 22.411 -16.061 30.020 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 21.918 -16.771 29.544 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 23.301 -16.449 30.170 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 27.148 -10.228 23.210 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 27.263 -10.430 24.154 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 27.329 -11.069 22.764 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 26.721 -12.760 21.917 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 27.291 -12.950 21.141 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 25.971 -12.247 21.539 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 28.325 -9.398 26.927 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 27.970 -10.207 26.505 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 27.707 -8.694 26.643 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 28.704 -14.317 36.334 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 28.514 -13.747 35.560 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 29.661 -14.407 36.332 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 23.007 -8.030 27.359 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 22.362 -8.496 27.947 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 23.726 -7.765 27.962 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 26.974 -11.441 25.705 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 26.009 -11.392 25.833 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 27.121 -12.316 25.289 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 19.815 -9.449 37.992 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 19.052 -9.104 38.500 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 19.406 -9.984 37.281 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 20.528 -9.508 34.470 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 20.172 -8.623 34.237 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 19.793 -9.945 34.952 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 21.488 -9.347 29.140 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 20.607 -9.694 28.868 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 21.728 -9.891 29.909 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 23.623 -6.380 34.239 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 22.886 -6.071 34.803 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 24.203 -6.851 34.847 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 29.394 -18.025 34.274 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 29.482 -18.791 34.849 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 28.577 -17.577 34.594 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 27.029 -16.918 35.224 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 26.161 -17.380 35.203 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 26.993 -16.388 36.037 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 27.816 -14.688 27.397 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 27.731 -15.195 26.559 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 28.385 -13.935 27.162 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 25.720 -8.178 39.696 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 26.349 -7.512 39.984 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 25.485 -8.662 40.525 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 27.889 -15.409 33.091 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 28.099 -14.531 33.463 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 27.486 -15.895 33.842 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 29.487 -17.396 28.985 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 29.369 -17.580 29.946 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 30.292 -16.849 28.945 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 21.606 -6.069 36.114 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 21.439 -5.596 36.936 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 21.823 -6.988 36.404 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 24.498 -10.125 26.191 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 23.757 -9.523 26.398 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 25.271 -9.528 26.121 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 27.392 -16.286 25.252 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 26.416 -16.381 25.228 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 27.708 -17.145 25.610 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 29.885 -13.235 25.995 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 30.289 -14.127 26.047 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 29.239 -13.307 25.255 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 22.967 -7.628 23.341 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 23.546 -7.048 23.870 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 23.590 -8.293 22.950 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 18.598 -10.853 35.850 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 18.009 -11.225 36.542 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 18.247 -11.228 35.009 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 22.142 -8.643 36.786 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 21.341 -8.943 37.278 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 22.136 -9.182 35.975 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 29.205 -9.693 29.438 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 30.168 -9.485 29.500 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 28.966 -9.445 28.513 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 22.379 -5.543 26.395 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 22.439 -6.488 26.663 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 22.610 -5.051 27.215 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 24.606 -6.026 24.928 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 24.626 -5.336 24.230 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 23.852 -5.766 25.496 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 25.217 -7.251 29.008 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 24.784 -7.271 29.885 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 25.528 -6.335 28.924 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 24.151 -4.002 23.128 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 23.965 -3.992 22.158 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 24.730 -3.245 23.262 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 21.508 -4.429 24.017 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 21.706 -4.736 24.923 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 22.384 -4.211 23.644 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 31.351 -16.370 33.159 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 32.118 -16.753 33.590 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 30.595 -16.882 33.514 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 28.264 -18.513 26.735 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 28.807 -19.285 26.448 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 28.757 -18.147 27.500 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 28.129 -12.804 34.086 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 27.229 -12.402 34.015 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 28.727 -12.082 33.859 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 26.915 -16.437 29.250 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 26.997 -15.911 28.424 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 27.683 -17.045 29.217 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 34.078 -10.819 29.593 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 34.917 -10.928 30.046 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 33.867 -11.719 29.255 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 19.811 -4.578 21.840 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 20.267 -4.426 22.694 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 20.533 -4.758 21.215 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 19.337 -10.714 28.161 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 19.638 -11.629 28.022 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 19.132 -10.389 27.262 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 17.652 -8.430 39.508 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 17.707 -7.507 39.774 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 16.679 -8.612 39.469 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 21.626 -5.519 19.925 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 21.615 -6.378 20.404 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 20.890 -5.599 19.284 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 20.970 -10.585 40.315 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 20.855 -10.195 39.425 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 21.528 -11.378 40.160 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 23.015 -10.454 34.358 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 22.065 -10.193 34.262 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 23.456 -10.017 33.611 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 25.733 -11.518 33.665 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 25.100 -11.537 34.399 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 25.387 -10.824 33.072 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 22.665 -12.741 40.399 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 22.839 -12.937 41.342 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 23.556 -12.541 40.030 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 22.995 -17.726 33.025 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 23.354 -17.533 32.144 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 22.055 -17.929 32.864 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 25.148 -12.171 39.427 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 24.920 -11.332 38.969 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 25.592 -12.713 38.726 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 26.289 -13.669 37.503 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 25.770 -14.494 37.392 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 27.179 -13.902 37.174 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 24.431 -17.910 35.345 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 24.030 -18.720 35.737 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 23.971 -17.813 34.480 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 22.773 -11.871 36.782 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 22.842 -11.518 35.875 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 23.392 -11.319 37.299 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 19.831 -7.090 25.158 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 19.740 -6.134 25.271 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 20.770 -7.216 24.956 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 31.887 -9.230 29.217 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 32.330 -8.502 28.776 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 32.617 -9.841 29.462 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 32.559 -12.692 25.971 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 31.580 -12.628 25.939 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 32.863 -11.864 25.581 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 30.382 -14.770 31.104 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 30.756 -15.251 31.875 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 30.954 -15.037 30.357 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 31.701 -15.343 26.203 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 31.949 -16.050 25.557 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 32.275 -14.591 25.963 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 24.772 -17.257 30.731 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 25.481 -16.939 30.124 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 25.177 -18.005 31.190 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 29.618 -20.737 25.839 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 30.492 -21.149 25.831 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 29.117 -21.225 25.161 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 21.564 -13.889 38.213 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 21.901 -13.605 39.089 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 21.969 -13.248 37.587 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 26.053 -12.230 41.981 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 27.003 -12.383 41.942 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 25.771 -12.216 41.032 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 18.115 -13.589 41.212 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 18.025 -12.655 40.927 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 18.882 -13.585 41.791 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 25.203 -9.529 41.968 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 24.273 -9.577 42.282 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 25.564 -10.410 42.161 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 22.625 -10.242 42.535 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 22.724 -11.188 42.736 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 21.959 -10.216 41.819 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 23.594 -12.863 42.978 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 23.692 -13.442 43.740 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.519 -12.618 42.740 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 18.283 -10.956 40.417 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 19.259 -10.871 40.515 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 17.980 -10.036 40.280 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 24.267 -9.901 38.140 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 23.591 -9.331 37.725 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 24.838 -9.271 38.639 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 19.034 -18.136 41.509 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 19.389 -18.318 40.620 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 18.492 -17.331 41.389 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 19.578 -15.732 38.638 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 20.325 -15.101 38.537 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 18.786 -15.161 38.656 1.00 0.00 WAT1 END