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: -904.297, 82.6962, 118.46, 58.4705, 579.917, -596.03, -1150.69, 2.60193, 0.279324 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.431856E-03,0.46352,1.26965,42.5873,3.804826E-03,0.17483 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 39, 6 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:03 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 6.383 -18.230 -0.671 1.00 44.11 ATOM 2 CB MET 1 6.397 -19.585 0.995 1.00 25.14 ATOM 3 HB1 MET 1 6.689 -18.852 1.735 1.00 37.41 ATOM 4 HB2 MET 1 6.854 -20.533 1.242 1.00 71.32 ATOM 5 CG MET 1 4.884 -19.755 1.065 1.00 44.04 ATOM 6 HG1 MET 1 4.581 -20.482 0.325 1.00 37.41 ATOM 7 HG2 MET 1 4.418 -18.805 0.847 1.00 64.15 ATOM 8 SD MET 1 4.324 -20.313 2.686 1.00 41.22 ATOM 9 CE MET 1 2.548 -20.333 2.441 1.00 33.12 ATOM 10 HE1 MET 1 2.303 -21.008 1.635 1.00 61.42 ATOM 11 HE2 MET 1 2.206 -19.338 2.196 1.00 51.11 ATOM 12 HE3 MET 1 2.064 -20.666 3.348 1.00 21.24 ATOM 13 C MET 1 8.411 -18.812 -0.312 1.00 4.42 ATOM 14 O MET 1 8.854 -17.787 -0.827 1.00 3.31 ATOM 15 N MET 1 6.628 -20.171 -1.415 1.00 43.41 ATOM 16 HT1 MET 1 7.050 -21.080 -1.139 1.00 37.41 ATOM 17 HT2 MET 1 7.034 -19.885 -2.329 1.00 37.41 ATOM 18 HT3 MET 1 5.601 -20.298 -1.532 1.00 37.41 ATOM 19 CA MET 1 6.909 -19.131 -0.383 1.00 60.04 ATOM 20 N GLY 2 9.189 -19.695 0.324 1.00 12.41 ATOM 21 HN GLY 2 8.778 -20.492 0.725 1.00 37.41 ATOM 22 CA GLY 2 10.641 -19.515 0.417 1.00 60.04 ATOM 23 HA1 GLY 2 11.069 -19.682 -0.562 1.00 37.41 ATOM 24 HA2 GLY 2 11.034 -20.258 1.093 1.00 43.12 ATOM 25 C GLY 2 11.076 -18.133 0.915 1.00 60.25 ATOM 26 O GLY 2 12.039 -17.556 0.406 1.00 44.22 ATOM 27 N HIS 3 10.368 -17.597 1.908 1.00 3.44 ATOM 28 HN HIS 3 9.620 -18.105 2.285 1.00 37.41 ATOM 29 CA HIS 3 10.682 -16.270 2.464 1.00 65.43 ATOM 30 HA HIS 3 11.705 -16.040 2.200 1.00 74.24 ATOM 31 CB HIS 3 9.766 -15.198 1.849 1.00 31.24 ATOM 32 HB1 HIS 3 9.797 -14.310 2.463 1.00 37.41 ATOM 33 HB2 HIS 3 8.753 -15.572 1.822 1.00 34.20 ATOM 34 CG HIS 3 10.152 -14.806 0.449 1.00 73.43 ATOM 35 ND1 HIS 3 9.503 -15.261 -0.680 1.00 25.03 ATOM 36 HD1 HIS 3 8.737 -15.876 -0.697 1.00 60.43 ATOM 37 CD2 HIS 3 11.133 -13.985 0.002 1.00 31.41 ATOM 38 HD2 HIS 3 11.845 -13.447 0.611 1.00 72.23 ATOM 39 CE1 HIS 3 10.068 -14.743 -1.752 1.00 23.54 ATOM 40 HE1 HIS 3 9.770 -14.928 -2.774 1.00 14.10 ATOM 41 NE2 HIS 3 11.056 -13.967 -1.366 1.00 61.53 ATOM 42 HE2 HIS 3 11.711 -13.554 -1.966 1.00 37.41 ATOM 43 C HIS 3 10.576 -16.257 3.999 1.00 61.23 ATOM 44 O HIS 3 10.171 -17.244 4.616 1.00 23.31 ATOM 45 N HIS 4 10.931 -15.126 4.609 1.00 14.15 ATOM 46 HN HIS 4 11.120 -14.331 4.069 1.00 37.41 ATOM 47 CA HIS 4 11.019 -15.028 6.073 1.00 11.14 ATOM 48 HA HIS 4 11.508 -15.928 6.421 1.00 52.21 ATOM 49 CB HIS 4 11.886 -13.828 6.479 1.00 73.43 ATOM 50 HB1 HIS 4 11.754 -13.636 7.535 1.00 37.41 ATOM 51 HB2 HIS 4 11.573 -12.959 5.919 1.00 23.35 ATOM 52 CG HIS 4 13.349 -14.035 6.227 1.00 52.42 ATOM 53 ND1 HIS 4 14.003 -13.554 5.115 1.00 44.11 ATOM 54 HD1 HIS 4 13.599 -13.029 4.391 1.00 12.34 ATOM 55 CD2 HIS 4 14.290 -14.678 6.959 1.00 3.12 ATOM 56 HD2 HIS 4 14.137 -15.179 7.904 1.00 43.44 ATOM 57 CE1 HIS 4 15.273 -13.893 5.173 1.00 45.11 ATOM 58 HE1 HIS 4 16.024 -13.650 4.437 1.00 54.22 ATOM 59 NE2 HIS 4 15.476 -14.572 6.281 1.00 34.12 ATOM 60 HE2 HIS 4 16.358 -14.753 6.666 1.00 37.41 ATOM 61 C HIS 4 9.641 -14.944 6.751 1.00 3.21 ATOM 62 O HIS 4 9.038 -13.875 6.852 1.00 45.25 ATOM 63 N HIS 5 9.143 -16.094 7.194 1.00 0.41 ATOM 64 HN HIS 5 9.606 -16.927 6.961 1.00 37.41 ATOM 65 CA HIS 5 7.934 -16.168 8.021 1.00 20.34 ATOM 66 HA HIS 5 7.564 -15.163 8.173 1.00 33.24 ATOM 67 CB HIS 5 6.849 -17.006 7.326 1.00 61.10 ATOM 68 HB1 HIS 5 6.019 -17.142 8.007 1.00 37.41 ATOM 69 HB2 HIS 5 7.258 -17.974 7.076 1.00 33.53 ATOM 70 CG HIS 5 6.312 -16.399 6.062 1.00 21.01 ATOM 71 ND1 HIS 5 5.056 -15.839 5.973 1.00 35.33 ATOM 72 HD1 HIS 5 4.408 -15.766 6.706 1.00 54.24 ATOM 73 CD2 HIS 5 6.851 -16.290 4.822 1.00 63.45 ATOM 74 HD2 HIS 5 7.834 -16.622 4.519 1.00 53.52 ATOM 75 CE1 HIS 5 4.845 -15.416 4.745 1.00 54.42 ATOM 76 HE1 HIS 5 3.947 -14.935 4.387 1.00 3.42 ATOM 77 NE2 HIS 5 5.916 -15.677 4.024 1.00 74.53 ATOM 78 HE2 HIS 5 5.949 -15.641 3.045 1.00 37.41 ATOM 79 C HIS 5 8.272 -16.789 9.386 1.00 52.25 ATOM 80 O HIS 5 8.963 -17.802 9.450 1.00 32.01 ATOM 81 N HIS 6 7.796 -16.179 10.472 1.00 22.35 ATOM 82 HN HIS 6 7.267 -15.360 10.365 1.00 37.41 ATOM 83 CA HIS 6 8.051 -16.705 11.823 1.00 42.11 ATOM 84 HA HIS 6 9.122 -16.846 11.916 1.00 4.54 ATOM 85 CB HIS 6 7.598 -15.706 12.890 1.00 4.33 ATOM 86 HB1 HIS 6 7.639 -16.179 13.861 1.00 37.41 ATOM 87 HB2 HIS 6 6.581 -15.402 12.686 1.00 30.35 ATOM 88 CG HIS 6 8.447 -14.474 12.943 1.00 45.12 ATOM 89 ND1 HIS 6 9.699 -14.453 13.518 1.00 4.44 ATOM 90 HD1 HIS 6 10.153 -15.218 13.933 1.00 11.20 ATOM 91 CD2 HIS 6 8.228 -13.217 12.489 1.00 5.22 ATOM 92 HD2 HIS 6 7.343 -12.865 11.980 1.00 45.14 ATOM 93 CE1 HIS 6 10.208 -13.246 13.419 1.00 63.34 ATOM 94 HE1 HIS 6 11.175 -12.939 13.788 1.00 32.51 ATOM 95 NE2 HIS 6 9.340 -12.474 12.798 1.00 51.23 ATOM 96 HE2 HIS 6 9.548 -11.590 12.427 1.00 37.41 ATOM 97 C HIS 6 7.370 -18.065 12.032 1.00 13.05 ATOM 98 O HIS 6 7.966 -18.992 12.576 1.00 72.11 ATOM 99 N HIS 7 6.112 -18.175 11.620 1.00 14.44 ATOM 100 HN HIS 7 5.624 -17.365 11.352 1.00 37.41 ATOM 101 CA HIS 7 5.438 -19.475 11.555 1.00 23.32 ATOM 102 HA HIS 7 5.949 -20.145 12.237 1.00 53.51 ATOM 103 CB HIS 7 3.976 -19.343 11.991 1.00 44.23 ATOM 104 HB1 HIS 7 3.484 -20.301 11.890 1.00 37.41 ATOM 105 HB2 HIS 7 3.480 -18.619 11.360 1.00 72.00 ATOM 106 CG HIS 7 3.831 -18.894 13.417 1.00 73.31 ATOM 107 ND1 HIS 7 4.889 -18.842 14.305 1.00 54.22 ATOM 108 HD1 HIS 7 5.821 -19.087 14.110 1.00 14.10 ATOM 109 CD2 HIS 7 2.747 -18.468 14.110 1.00 15.04 ATOM 110 HD2 HIS 7 1.740 -18.377 13.732 1.00 74.30 ATOM 111 CE1 HIS 7 4.461 -18.407 15.471 1.00 42.21 ATOM 112 HE1 HIS 7 5.068 -18.266 16.352 1.00 11.35 ATOM 113 NE2 HIS 7 3.170 -18.173 15.380 1.00 34.22 ATOM 114 HE2 HIS 7 2.582 -17.989 16.142 1.00 37.41 ATOM 115 C HIS 7 5.557 -20.047 10.134 1.00 14.33 ATOM 116 O HIS 7 5.740 -19.292 9.181 1.00 24.50 ATOM 117 N HIS 8 5.445 -21.376 9.998 1.00 42.23 ATOM 118 HN HIS 8 5.091 -21.900 10.747 1.00 37.41 ATOM 119 CA HIS 8 5.816 -22.080 8.750 1.00 64.30 ATOM 120 HA HIS 8 5.528 -23.116 8.863 1.00 1.20 ATOM 121 CB HIS 8 5.094 -21.487 7.522 1.00 14.12 ATOM 122 HB1 HIS 8 5.417 -22.014 6.634 1.00 37.41 ATOM 123 HB2 HIS 8 5.360 -20.445 7.426 1.00 3.25 ATOM 124 CG HIS 8 3.603 -21.566 7.584 1.00 54.12 ATOM 125 ND1 HIS 8 2.854 -22.334 6.721 1.00 55.42 ATOM 126 HD1 HIS 8 3.210 -22.882 5.988 1.00 54.21 ATOM 127 CD2 HIS 8 2.716 -20.954 8.401 1.00 12.22 ATOM 128 HD2 HIS 8 2.949 -20.266 9.201 1.00 70.22 ATOM 129 CE1 HIS 8 1.578 -22.195 7.005 1.00 65.41 ATOM 130 HE1 HIS 8 0.760 -22.678 6.490 1.00 35.23 ATOM 131 NE2 HIS 8 1.466 -21.365 8.021 1.00 1.24 ATOM 132 HE2 HIS 8 0.638 -21.197 8.521 1.00 37.41 ATOM 133 C HIS 8 7.338 -22.017 8.531 1.00 33.35 ATOM 134 O HIS 8 7.843 -22.333 7.453 1.00 34.52 ATOM 135 N SER 9 8.064 -21.632 9.579 1.00 41.42 ATOM 136 HN SER 9 7.624 -21.527 10.446 1.00 37.41 ATOM 137 CA SER 9 9.503 -21.371 9.481 1.00 42.03 ATOM 138 HA SER 9 9.686 -20.910 8.521 1.00 1.13 ATOM 139 CB SER 9 9.951 -20.400 10.580 1.00 53.23 ATOM 140 HB1 SER 9 9.391 -19.480 10.495 1.00 37.41 ATOM 141 HB2 SER 9 11.004 -20.189 10.464 1.00 53.54 ATOM 142 OG SER 9 9.738 -20.943 11.873 1.00 52.13 ATOM 143 HG SER 9 9.440 -20.242 12.470 1.00 32.52 ATOM 144 C SER 9 10.343 -22.646 9.576 1.00 32.01 ATOM 145 O SER 9 9.866 -23.711 9.968 1.00 14.54 ATOM 146 N HIS 10 11.604 -22.514 9.184 1.00 42.32 ATOM 147 HN HIS 10 11.876 -21.665 8.786 1.00 37.41 ATOM 148 CA HIS 10 12.598 -23.580 9.309 1.00 34.21 ATOM 149 HA HIS 10 12.245 -24.280 10.054 1.00 35.32 ATOM 150 CB HIS 10 12.761 -24.312 7.969 1.00 45.14 ATOM 151 HB1 HIS 10 13.589 -25.004 8.040 1.00 37.41 ATOM 152 HB2 HIS 10 12.969 -23.589 7.194 1.00 71.40 ATOM 153 CG HIS 10 11.543 -25.086 7.556 1.00 63.32 ATOM 154 ND1 HIS 10 10.419 -24.498 7.016 1.00 32.22 ATOM 155 HD1 HIS 10 10.301 -23.542 6.835 1.00 73.43 ATOM 156 CD2 HIS 10 11.270 -26.412 7.623 1.00 72.42 ATOM 157 HD2 HIS 10 11.932 -27.185 7.989 1.00 61.54 ATOM 158 CE1 HIS 10 9.513 -25.423 6.772 1.00 34.01 ATOM 159 HE1 HIS 10 8.536 -25.250 6.347 1.00 2.22 ATOM 160 NE2 HIS 10 10.002 -26.592 7.128 1.00 53.14 ATOM 161 HE2 HIS 10 9.619 -27.456 6.866 1.00 37.41 ATOM 162 C HIS 10 13.946 -23.001 9.782 1.00 12.33 ATOM 163 O HIS 10 14.694 -23.652 10.512 1.00 51.53 ATOM 164 N MET 11 14.241 -21.766 9.365 1.00 2.22 ATOM 165 HN MET 11 13.636 -21.322 8.732 1.00 37.41 ATOM 166 CA MET 11 15.457 -21.063 9.803 1.00 34.13 ATOM 167 HA MET 11 16.249 -21.796 9.887 1.00 20.01 ATOM 168 CB MET 11 15.863 -20.013 8.754 1.00 24.44 ATOM 169 HB1 MET 11 15.997 -20.508 7.802 1.00 37.41 ATOM 170 HB2 MET 11 16.803 -19.570 9.051 1.00 23.21 ATOM 171 CG MET 11 14.845 -18.890 8.569 1.00 12.30 ATOM 172 HG1 MET 11 14.774 -18.328 9.491 1.00 37.41 ATOM 173 HG2 MET 11 13.883 -19.327 8.344 1.00 4.50 ATOM 174 SD MET 11 15.286 -17.755 7.236 1.00 2.21 ATOM 175 CE MET 11 15.144 -18.825 5.806 1.00 20.21 ATOM 176 HE1 MET 11 15.820 -19.661 5.912 1.00 32.05 ATOM 177 HE2 MET 11 15.396 -18.269 4.917 1.00 24.10 ATOM 178 HE3 MET 11 14.130 -19.190 5.727 1.00 14.04 ATOM 179 C MET 11 15.261 -20.391 11.179 1.00 61.31 ATOM 180 O MET 11 16.166 -20.380 12.013 1.00 61.52 ATOM 181 N ASN 12 14.061 -19.852 11.413 1.00 5.40 ATOM 182 HN ASN 12 13.365 -19.938 10.731 1.00 37.41 ATOM 183 CA ASN 12 13.747 -19.129 12.657 1.00 22.22 ATOM 184 HA ASN 12 14.640 -18.616 12.986 1.00 13.42 ATOM 185 CB ASN 12 12.645 -18.092 12.372 1.00 5.54 ATOM 186 HB1 ASN 12 11.700 -18.607 12.252 1.00 37.41 ATOM 187 HB2 ASN 12 12.878 -17.575 11.453 1.00 40.43 ATOM 188 CG ASN 12 12.488 -17.051 13.470 1.00 20.43 ATOM 189 OD1 ASN 12 11.380 -16.633 13.795 1.00 40.13 ATOM 190 ND2 ASN 12 13.591 -16.587 14.022 1.00 1.52 ATOM 191 HD21 ASN 12 14.454 -16.929 13.704 1.00 10.33 ATOM 192 HD22 ASN 12 13.501 -15.910 14.721 1.00 62.20 ATOM 193 C ASN 12 13.285 -20.098 13.767 1.00 21.22 ATOM 194 O ASN 12 12.876 -19.671 14.851 1.00 5.20 ATOM 195 N SER 13 13.381 -21.401 13.491 1.00 24.41 ATOM 196 HN SER 13 13.829 -21.671 12.665 1.00 37.41 ATOM 197 CA SER 13 12.835 -22.450 14.372 1.00 22.30 ATOM 198 HA SER 13 11.758 -22.380 14.326 1.00 50.11 ATOM 199 CB SER 13 13.258 -23.838 13.869 1.00 64.35 ATOM 200 HB1 SER 13 12.800 -24.596 14.488 1.00 37.41 ATOM 201 HB2 SER 13 14.334 -23.927 13.930 1.00 0.30 ATOM 202 OG SER 13 12.859 -24.049 12.524 1.00 62.32 ATOM 203 HG SER 13 13.524 -24.582 12.073 1.00 53.42 ATOM 204 C SER 13 13.270 -22.296 15.837 1.00 10.23 ATOM 205 O SER 13 12.432 -22.193 16.732 1.00 43.35 ATOM 206 N ALA 14 14.576 -22.276 16.084 1.00 32.44 ATOM 207 HN ALA 14 15.210 -22.344 15.336 1.00 37.41 ATOM 208 CA ALA 14 15.089 -22.169 17.455 1.00 64.31 ATOM 209 HA ALA 14 14.578 -22.910 18.057 1.00 53.24 ATOM 210 CB ALA 14 16.576 -22.486 17.492 1.00 63.22 ATOM 211 HB1 ALA 14 16.930 -22.445 18.513 1.00 34.21 ATOM 212 HB2 ALA 14 17.116 -21.763 16.896 1.00 51.43 ATOM 213 HB3 ALA 14 16.745 -23.476 17.094 1.00 62.21 ATOM 214 C ALA 14 14.825 -20.782 18.054 1.00 11.44 ATOM 215 O ALA 14 14.385 -20.668 19.199 1.00 64.03 ATOM 216 N GLU 15 15.079 -19.736 17.268 1.00 62.42 ATOM 217 HN GLU 15 15.380 -19.896 16.349 1.00 37.41 ATOM 218 CA GLU 15 14.926 -18.351 17.736 1.00 30.32 ATOM 219 HA GLU 15 15.659 -18.190 18.515 1.00 4.34 ATOM 220 CB GLU 15 15.200 -17.362 16.594 1.00 22.24 ATOM 221 HB1 GLU 15 15.119 -16.355 16.982 1.00 37.41 ATOM 222 HB2 GLU 15 14.452 -17.502 15.827 1.00 71.43 ATOM 223 CG GLU 15 16.577 -17.514 15.949 1.00 24.43 ATOM 224 HG1 GLU 15 16.628 -18.479 15.461 1.00 37.41 ATOM 225 HG2 GLU 15 17.332 -17.467 16.723 1.00 14.21 ATOM 226 CD GLU 15 16.866 -16.429 14.919 1.00 43.41 ATOM 227 OE1 GLU 15 16.451 -16.579 13.749 1.00 73.51 ATOM 228 OE2 GLU 15 17.500 -15.413 15.281 1.00 44.44 ATOM 229 C GLU 15 13.526 -18.091 18.322 1.00 30.14 ATOM 230 O GLU 15 13.397 -17.561 19.429 1.00 14.34 ATOM 231 N GLN 16 12.483 -18.469 17.580 1.00 22.01 ATOM 232 HN GLN 16 12.644 -18.882 16.704 1.00 37.41 ATOM 233 CA GLN 16 11.102 -18.272 18.039 1.00 22.33 ATOM 234 HA GLN 16 11.000 -17.233 18.321 1.00 75.10 ATOM 235 CB GLN 16 10.100 -18.575 16.907 1.00 75.03 ATOM 236 HB1 GLN 16 10.371 -17.986 16.041 1.00 37.41 ATOM 237 HB2 GLN 16 9.111 -18.281 17.230 1.00 51.41 ATOM 238 CG GLN 16 10.045 -20.040 16.483 1.00 63.54 ATOM 239 HG1 GLN 16 9.809 -20.643 17.347 1.00 37.41 ATOM 240 HG2 GLN 16 11.016 -20.326 16.103 1.00 42.33 ATOM 241 CD GLN 16 9.007 -20.306 15.403 1.00 64.01 ATOM 242 OE1 GLN 16 7.981 -19.635 15.323 1.00 3.14 ATOM 243 NE2 GLN 16 9.262 -21.293 14.567 1.00 4.33 ATOM 244 HE21 GLN 16 10.092 -21.793 14.683 1.00 55.14 ATOM 245 HE22 GLN 16 8.611 -21.478 13.862 1.00 33.31 ATOM 246 C GLN 16 10.790 -19.139 19.273 1.00 55.20 ATOM 247 O GLN 16 10.122 -18.688 20.204 1.00 52.23 ATOM 248 N THR 17 11.301 -20.371 19.284 1.00 72.13 ATOM 249 HN THR 17 11.865 -20.656 18.535 1.00 37.41 ATOM 250 CA THR 17 11.038 -21.320 20.378 1.00 74.12 ATOM 251 HA THR 17 9.964 -21.417 20.473 1.00 2.23 ATOM 252 CB THR 17 11.617 -22.722 20.066 1.00 34.24 ATOM 253 HB THR 17 12.686 -22.630 19.928 1.00 1.14 ATOM 254 OG1 THR 17 11.034 -23.237 18.861 1.00 63.12 ATOM 255 HG1 THR 17 11.665 -23.158 18.138 1.00 34.32 ATOM 256 CG2 THR 17 11.355 -23.699 21.210 1.00 12.21 ATOM 257 HG21 THR 17 11.743 -24.672 20.947 1.00 21.42 ATOM 258 HG22 THR 17 10.293 -23.772 21.389 1.00 44.30 ATOM 259 HG23 THR 17 11.847 -23.348 22.107 1.00 0.41 ATOM 260 C THR 17 11.606 -20.831 21.718 1.00 72.13 ATOM 261 O THR 17 10.936 -20.912 22.747 1.00 10.15 ATOM 262 N VAL 18 12.841 -20.324 21.704 1.00 43.12 ATOM 263 HN VAL 18 13.335 -20.293 20.855 1.00 37.41 ATOM 264 CA VAL 18 13.478 -19.811 22.926 1.00 63.15 ATOM 265 HA VAL 18 13.615 -20.649 23.600 1.00 10.51 ATOM 266 CB VAL 18 14.872 -19.193 22.630 1.00 71.00 ATOM 267 HB VAL 18 14.738 -18.375 21.932 1.00 2.51 ATOM 268 CG1 VAL 18 15.505 -18.630 23.904 1.00 23.00 ATOM 269 HG11 VAL 18 16.478 -18.220 23.673 1.00 54.44 ATOM 270 HG12 VAL 18 15.613 -19.419 24.635 1.00 72.45 ATOM 271 HG13 VAL 18 14.875 -17.851 24.307 1.00 24.43 ATOM 272 CG2 VAL 18 15.796 -20.223 21.980 1.00 42.44 ATOM 273 HG21 VAL 18 15.943 -21.053 22.655 1.00 14.11 ATOM 274 HG22 VAL 18 16.751 -19.766 21.761 1.00 61.43 ATOM 275 HG23 VAL 18 15.352 -20.581 21.063 1.00 62.54 ATOM 276 C VAL 18 12.591 -18.760 23.618 1.00 31.12 ATOM 277 O VAL 18 12.192 -18.928 24.772 1.00 74.15 ATOM 278 N THR 19 12.269 -17.687 22.895 1.00 30.51 ATOM 279 HN THR 19 12.617 -17.608 21.982 1.00 37.41 ATOM 280 CA THR 19 11.412 -16.617 23.431 1.00 22.32 ATOM 281 HA THR 19 11.863 -16.266 24.350 1.00 61.41 ATOM 282 CB THR 19 11.314 -15.418 22.451 1.00 4.24 ATOM 283 HB THR 19 10.838 -15.753 21.540 1.00 21.41 ATOM 284 OG1 THR 19 12.630 -14.934 22.138 1.00 44.24 ATOM 285 HG1 THR 19 12.727 -14.030 22.465 1.00 10.52 ATOM 286 CG2 THR 19 10.486 -14.277 23.042 1.00 73.51 ATOM 287 HG21 THR 19 10.949 -13.930 23.955 1.00 1.32 ATOM 288 HG22 THR 19 9.486 -14.627 23.257 1.00 64.20 ATOM 289 HG23 THR 19 10.438 -13.462 22.334 1.00 61.05 ATOM 290 C THR 19 9.999 -17.136 23.743 1.00 14.14 ATOM 291 O THR 19 9.338 -16.654 24.664 1.00 21.01 ATOM 292 N TRP 20 9.548 -18.130 22.978 1.00 53.42 ATOM 293 HN TRP 20 10.110 -18.451 22.240 1.00 37.41 ATOM 294 CA TRP 20 8.237 -18.758 23.197 1.00 23.24 ATOM 295 HA TRP 20 7.488 -17.979 23.145 1.00 51.01 ATOM 296 CB TRP 20 7.963 -19.782 22.085 1.00 33.34 ATOM 297 HB1 TRP 20 8.749 -20.524 22.091 1.00 37.41 ATOM 298 HB2 TRP 20 7.972 -19.275 21.130 1.00 23.13 ATOM 299 CG TRP 20 6.650 -20.504 22.206 1.00 0.32 ATOM 300 CD1 TRP 20 5.405 -19.948 22.320 1.00 4.13 ATOM 301 HD1 TRP 20 5.211 -18.886 22.349 1.00 3.42 ATOM 302 CD2 TRP 20 6.457 -21.923 22.196 1.00 41.23 ATOM 303 NE1 TRP 20 4.454 -20.940 22.389 1.00 62.40 ATOM 304 HE1 TRP 20 3.490 -20.797 22.480 1.00 35.05 ATOM 305 CE2 TRP 20 5.075 -22.159 22.320 1.00 40.34 ATOM 306 CE3 TRP 20 7.323 -23.018 22.105 1.00 54.51 ATOM 307 HE3 TRP 20 8.392 -22.881 22.012 1.00 1.15 ATOM 308 CZ2 TRP 20 4.539 -23.442 22.344 1.00 44.45 ATOM 309 HZ2 TRP 20 3.477 -23.617 22.436 1.00 75.31 ATOM 310 CZ3 TRP 20 6.789 -24.293 22.130 1.00 3.53 ATOM 311 HZ3 TRP 20 7.442 -25.152 22.062 1.00 23.34 ATOM 312 CH2 TRP 20 5.410 -24.495 22.253 1.00 13.42 ATOM 313 HH2 TRP 20 5.035 -25.507 22.271 1.00 13.44 ATOM 314 C TRP 20 8.157 -19.425 24.584 1.00 61.02 ATOM 315 O TRP 20 7.169 -19.270 25.305 1.00 72.30 ATOM 316 N LEU 21 9.207 -20.151 24.962 1.00 22.54 ATOM 317 HN LEU 21 9.954 -20.271 24.336 1.00 37.41 ATOM 318 CA LEU 21 9.272 -20.786 26.286 1.00 12.53 ATOM 319 HA LEU 21 8.368 -21.366 26.418 1.00 20.40 ATOM 320 CB LEU 21 10.481 -21.730 26.357 1.00 42.34 ATOM 321 HB1 LEU 21 10.523 -22.156 27.350 1.00 37.41 ATOM 322 HB2 LEU 21 11.377 -21.144 26.200 1.00 30.45 ATOM 323 CG LEU 21 10.471 -22.884 25.339 1.00 63.10 ATOM 324 HG LEU 21 10.470 -22.467 24.340 1.00 63.32 ATOM 325 CD1 LEU 21 11.725 -23.745 25.482 1.00 24.31 ATOM 326 HD11 LEU 21 12.604 -23.139 25.309 1.00 22.44 ATOM 327 HD12 LEU 21 11.696 -24.547 24.758 1.00 40.43 ATOM 328 HD13 LEU 21 11.766 -24.162 26.478 1.00 25.42 ATOM 329 CD2 LEU 21 9.210 -23.733 25.494 1.00 71.42 ATOM 330 HD21 LEU 21 9.168 -24.141 26.493 1.00 74.12 ATOM 331 HD22 LEU 21 9.229 -24.541 24.777 1.00 10.24 ATOM 332 HD23 LEU 21 8.336 -23.120 25.318 1.00 44.41 ATOM 333 C LEU 21 9.352 -19.736 27.410 1.00 53.13 ATOM 334 O LEU 21 8.819 -19.931 28.507 1.00 64.40 ATOM 335 N ILE 22 10.016 -18.617 27.123 1.00 71.04 ATOM 336 HN ILE 22 10.440 -18.532 26.242 1.00 37.41 ATOM 337 CA ILE 22 10.147 -17.518 28.087 1.00 25.25 ATOM 338 HA ILE 22 10.454 -17.942 29.035 1.00 24.23 ATOM 339 CB ILE 22 11.235 -16.511 27.633 1.00 41.52 ATOM 340 HB ILE 22 10.931 -16.098 26.680 1.00 33.21 ATOM 341 CG1 ILE 22 12.587 -17.226 27.460 1.00 31.24 ATOM 342 HG11 ILE 22 12.461 -18.065 26.791 1.00 37.41 ATOM 343 HG12 ILE 22 12.923 -17.589 28.422 1.00 3.52 ATOM 344 CG2 ILE 22 11.357 -15.356 28.631 1.00 74.01 ATOM 345 HG21 ILE 22 12.106 -14.658 28.284 1.00 72.43 ATOM 346 HG22 ILE 22 11.647 -15.742 29.598 1.00 43.13 ATOM 347 HG23 ILE 22 10.407 -14.850 28.716 1.00 51.02 ATOM 348 CD1 ILE 22 13.680 -16.341 26.894 1.00 13.31 ATOM 349 HD11 ILE 22 13.861 -15.514 27.565 1.00 33.35 ATOM 350 HD12 ILE 22 13.375 -15.962 25.929 1.00 21.32 ATOM 351 HD13 ILE 22 14.587 -16.918 26.783 1.00 24.43 ATOM 352 C ILE 22 8.814 -16.772 28.286 1.00 13.11 ATOM 353 O ILE 22 8.393 -16.526 29.417 1.00 62.51 ATOM 354 N THR 23 8.145 -16.430 27.183 1.00 30.35 ATOM 355 HN THR 23 8.498 -16.703 26.312 1.00 37.41 ATOM 356 CA THR 23 6.893 -15.652 27.237 1.00 75.13 ATOM 357 HA THR 23 7.087 -14.770 27.834 1.00 51.15 ATOM 358 CB THR 23 6.444 -15.182 25.827 1.00 65.43 ATOM 359 HB THR 23 7.269 -14.662 25.360 1.00 33.15 ATOM 360 OG1 THR 23 5.332 -14.279 25.934 1.00 53.22 ATOM 361 HG1 THR 23 5.664 -13.382 26.075 1.00 2.24 ATOM 362 CG2 THR 23 6.052 -16.361 24.940 1.00 42.14 ATOM 363 HG21 THR 23 5.749 -15.998 23.970 1.00 2.11 ATOM 364 HG22 THR 23 5.231 -16.898 25.395 1.00 43.40 ATOM 365 HG23 THR 23 6.897 -17.024 24.827 1.00 55.23 ATOM 366 C THR 23 5.749 -16.443 27.898 1.00 73.42 ATOM 367 O THR 23 4.818 -15.859 28.458 1.00 72.23 ATOM 368 N LEU 24 5.824 -17.777 27.828 1.00 63.54 ATOM 369 HN LEU 24 6.552 -18.185 27.311 1.00 37.41 ATOM 370 CA LEU 24 4.837 -18.651 28.483 1.00 23.03 ATOM 371 HA LEU 24 3.871 -18.173 28.403 1.00 41.34 ATOM 372 CB LEU 24 4.774 -20.010 27.770 1.00 42.35 ATOM 373 HB1 LEU 24 4.207 -20.693 28.389 1.00 37.41 ATOM 374 HB2 LEU 24 5.782 -20.392 27.679 1.00 3.21 ATOM 375 CG LEU 24 4.134 -19.990 26.372 1.00 51.45 ATOM 376 HG LEU 24 4.652 -19.268 25.755 1.00 74.51 ATOM 377 CD1 LEU 24 4.267 -21.356 25.705 1.00 61.02 ATOM 378 HD11 LEU 24 3.818 -21.324 24.723 1.00 11.40 ATOM 379 HD12 LEU 24 3.766 -22.102 26.305 1.00 0.11 ATOM 380 HD13 LEU 24 5.313 -21.611 25.612 1.00 14.30 ATOM 381 CD2 LEU 24 2.664 -19.576 26.455 1.00 34.10 ATOM 382 HD21 LEU 24 2.235 -19.557 25.463 1.00 1.00 ATOM 383 HD22 LEU 24 2.589 -18.592 26.896 1.00 74.44 ATOM 384 HD23 LEU 24 2.122 -20.286 27.066 1.00 44.30 ATOM 385 C LEU 24 5.153 -18.859 29.975 1.00 42.31 ATOM 386 O LEU 24 4.387 -19.505 30.692 1.00 22.32 ATOM 387 N GLY 25 6.282 -18.318 30.431 1.00 74.41 ATOM 388 HN GLY 25 6.861 -17.832 29.810 1.00 37.41 ATOM 389 CA GLY 25 6.661 -18.425 31.839 1.00 43.23 ATOM 390 HA1 GLY 25 5.855 -18.035 32.444 1.00 37.41 ATOM 391 HA2 GLY 25 7.540 -17.820 32.004 1.00 1.34 ATOM 392 C GLY 25 6.967 -19.853 32.285 1.00 41.03 ATOM 393 O GLY 25 6.645 -20.245 33.411 1.00 4.13 ATOM 394 N VAL 26 7.578 -20.640 31.400 1.00 11.54 ATOM 395 HN VAL 26 7.768 -20.289 30.503 1.00 37.41 ATOM 396 CA VAL 26 7.961 -22.021 31.727 1.00 64.42 ATOM 397 HA VAL 26 7.568 -22.249 32.710 1.00 14.13 ATOM 398 CB VAL 26 7.352 -23.034 30.722 1.00 62.23 ATOM 399 HB VAL 26 7.601 -24.032 31.059 1.00 71.21 ATOM 400 CG1 VAL 26 5.827 -22.917 30.697 1.00 21.53 ATOM 401 HG11 VAL 26 5.421 -23.616 29.980 1.00 51.52 ATOM 402 HG12 VAL 26 5.543 -21.912 30.418 1.00 53.03 ATOM 403 HG13 VAL 26 5.432 -23.141 31.679 1.00 55.41 ATOM 404 CG2 VAL 26 7.938 -22.846 29.320 1.00 73.54 ATOM 405 HG21 VAL 26 7.529 -23.592 28.653 1.00 33.55 ATOM 406 HG22 VAL 26 9.013 -22.953 29.360 1.00 13.24 ATOM 407 HG23 VAL 26 7.689 -21.861 28.952 1.00 10.22 ATOM 408 C VAL 26 9.490 -22.188 31.767 1.00 12.43 ATOM 409 O VAL 26 10.011 -23.127 32.374 1.00 31.25 ATOM 410 N LEU 27 10.200 -21.264 31.124 1.00 43.21 ATOM 411 HN LEU 27 9.727 -20.546 30.656 1.00 37.41 ATOM 412 CA LEU 27 11.668 -21.280 31.092 1.00 30.11 ATOM 413 HA LEU 27 12.011 -22.080 31.734 1.00 14.33 ATOM 414 CB LEU 27 12.153 -21.542 29.655 1.00 42.44 ATOM 415 HB1 LEU 27 11.812 -20.727 29.032 1.00 37.41 ATOM 416 HB2 LEU 27 11.687 -22.453 29.304 1.00 32.43 ATOM 417 CG LEU 27 13.677 -21.680 29.472 1.00 10.01 ATOM 418 HG LEU 27 14.156 -20.776 29.825 1.00 23.13 ATOM 419 CD1 LEU 27 14.225 -22.844 30.293 1.00 41.12 ATOM 420 HD11 LEU 27 13.728 -23.760 30.004 1.00 43.40 ATOM 421 HD12 LEU 27 14.052 -22.658 31.342 1.00 25.45 ATOM 422 HD13 LEU 27 15.288 -22.941 30.119 1.00 3.11 ATOM 423 CD2 LEU 27 14.028 -21.850 27.994 1.00 41.12 ATOM 424 HD21 LEU 27 13.564 -22.748 27.611 1.00 55.05 ATOM 425 HD22 LEU 27 15.100 -21.924 27.883 1.00 15.44 ATOM 426 HD23 LEU 27 13.670 -20.996 27.437 1.00 33.51 ATOM 427 C LEU 27 12.235 -19.948 31.613 1.00 12.13 ATOM 428 O LEU 27 11.584 -18.903 31.511 1.00 71.20 ATOM 429 N GLU 28 13.435 -19.988 32.191 1.00 24.23 ATOM 430 HN GLU 28 13.887 -20.852 32.292 1.00 37.41 ATOM 431 CA GLU 28 14.096 -18.771 32.680 1.00 35.13 ATOM 432 HA GLU 28 13.344 -18.163 33.166 1.00 33.52 ATOM 433 CB GLU 28 15.184 -19.121 33.709 1.00 61.24 ATOM 434 HB1 GLU 28 14.728 -19.673 34.520 1.00 37.41 ATOM 435 HB2 GLU 28 15.596 -18.202 34.104 1.00 13.44 ATOM 436 CG GLU 28 16.333 -19.957 33.148 1.00 14.43 ATOM 437 HG1 GLU 28 16.776 -19.424 32.319 1.00 37.41 ATOM 438 HG2 GLU 28 15.937 -20.900 32.797 1.00 40.44 ATOM 439 CD GLU 28 17.413 -20.235 34.183 1.00 51.53 ATOM 440 OE1 GLU 28 17.356 -21.296 34.841 1.00 71.45 ATOM 441 OE2 GLU 28 18.313 -19.383 34.356 1.00 12.12 ATOM 442 C GLU 28 14.705 -17.960 31.525 1.00 71.10 ATOM 443 O GLU 28 15.059 -18.511 30.482 1.00 13.22 ATOM 444 N SER 29 14.818 -16.649 31.717 1.00 64.11 ATOM 445 HN SER 29 14.515 -16.264 32.568 1.00 37.41 ATOM 446 CA SER 29 15.380 -15.764 30.688 1.00 72.51 ATOM 447 HA SER 29 15.059 -16.133 29.724 1.00 13.44 ATOM 448 CB SER 29 14.856 -14.331 30.866 1.00 44.11 ATOM 449 HB1 SER 29 15.146 -13.962 31.839 1.00 37.41 ATOM 450 HB2 SER 29 13.778 -14.333 30.790 1.00 20.11 ATOM 451 OG SER 29 15.379 -13.458 29.871 1.00 0.21 ATOM 452 HG SER 29 15.632 -12.621 30.283 1.00 11.23 ATOM 453 C SER 29 16.917 -15.760 30.728 1.00 70.21 ATOM 454 O SER 29 17.521 -15.759 31.805 1.00 4.10 ATOM 455 N PRO 30 17.579 -15.764 29.555 1.00 24.42 ATOM 456 CA PRO 30 19.048 -15.714 29.477 1.00 62.14 ATOM 457 HA PRO 30 19.496 -16.566 29.973 1.00 33.22 ATOM 458 CB PRO 30 19.333 -15.787 27.968 1.00 70.20 ATOM 459 HB1 PRO 30 19.578 -16.804 27.694 1.00 37.41 ATOM 460 HB2 PRO 30 20.159 -15.136 27.717 1.00 54.45 ATOM 461 CG PRO 30 18.067 -15.340 27.318 1.00 45.23 ATOM 462 HG1 PRO 30 17.976 -15.789 26.338 1.00 37.41 ATOM 463 HG2 PRO 30 18.052 -14.261 27.240 1.00 74.23 ATOM 464 CD PRO 30 16.961 -15.817 28.217 1.00 14.01 ATOM 465 HD1 PRO 30 16.673 -16.827 27.964 1.00 37.41 ATOM 466 HD2 PRO 30 16.110 -15.152 28.155 1.00 13.53 ATOM 467 C PRO 30 19.622 -14.420 30.076 1.00 22.54 ATOM 468 O PRO 30 19.129 -13.323 29.804 1.00 23.34 ATOM 469 N LYS 31 20.669 -14.550 30.886 1.00 23.15 ATOM 470 HN LYS 31 21.041 -15.444 31.045 1.00 37.41 ATOM 471 CA LYS 31 21.291 -13.389 31.538 1.00 61.32 ATOM 472 HA LYS 31 20.489 -12.744 31.874 1.00 41.54 ATOM 473 CB LYS 31 22.097 -13.846 32.770 1.00 1.31 ATOM 474 HB1 LYS 31 22.983 -13.229 32.858 1.00 37.41 ATOM 475 HB2 LYS 31 22.402 -14.873 32.626 1.00 12.41 ATOM 476 CG LYS 31 21.321 -13.758 34.091 1.00 5.41 ATOM 477 HG1 LYS 31 21.147 -12.715 34.318 1.00 37.41 ATOM 478 HG2 LYS 31 21.925 -14.193 34.874 1.00 20.32 ATOM 479 CD LYS 31 19.969 -14.487 34.054 1.00 51.41 ATOM 480 HD1 LYS 31 19.414 -14.149 33.190 1.00 37.41 ATOM 481 HD2 LYS 31 19.417 -14.238 34.949 1.00 2.55 ATOM 482 CE LYS 31 20.120 -16.006 33.981 1.00 42.15 ATOM 483 HE1 LYS 31 20.727 -16.337 34.811 1.00 37.41 ATOM 484 HE2 LYS 31 20.611 -16.263 33.054 1.00 22.04 ATOM 485 NZ LYS 31 18.802 -16.703 34.035 1.00 41.32 ATOM 486 HZ1 LYS 31 18.321 -16.492 34.936 1.00 73.53 ATOM 487 HZ2 LYS 31 18.930 -17.732 33.960 1.00 71.20 ATOM 488 HZ3 LYS 31 18.193 -16.387 33.256 1.00 45.05 ATOM 489 C LYS 31 22.167 -12.581 30.557 1.00 40.12 ATOM 490 O LYS 31 22.708 -11.532 30.910 1.00 3.54 ATOM 491 N LYS 32 22.304 -13.086 29.333 1.00 31.12 ATOM 492 HN LYS 32 21.962 -13.988 29.157 1.00 37.41 ATOM 493 CA LYS 32 22.948 -12.349 28.238 1.00 40.40 ATOM 494 HA LYS 32 22.637 -11.315 28.313 1.00 62.03 ATOM 495 CB LYS 32 24.481 -12.414 28.338 1.00 32.33 ATOM 496 HB1 LYS 32 24.788 -11.922 29.250 1.00 37.41 ATOM 497 HB2 LYS 32 24.907 -11.883 27.497 1.00 23.32 ATOM 498 CG LYS 32 25.049 -13.832 28.347 1.00 25.10 ATOM 499 HG1 LYS 32 24.600 -14.396 27.540 1.00 37.41 ATOM 500 HG2 LYS 32 24.803 -14.299 29.290 1.00 43.24 ATOM 501 CD LYS 32 26.566 -13.848 28.177 1.00 64.24 ATOM 502 HD1 LYS 32 26.813 -13.477 27.191 1.00 37.41 ATOM 503 HD2 LYS 32 26.915 -14.866 28.274 1.00 34.35 ATOM 504 CE LYS 32 27.274 -12.989 29.220 1.00 11.22 ATOM 505 HE1 LYS 32 27.019 -13.356 30.204 1.00 37.41 ATOM 506 HE2 LYS 32 26.939 -11.966 29.121 1.00 63.52 ATOM 507 NZ LYS 32 28.754 -13.030 29.058 1.00 34.02 ATOM 508 HZ1 LYS 32 29.204 -12.328 29.679 1.00 24.11 ATOM 509 HZ2 LYS 32 29.014 -12.819 28.074 1.00 12.24 ATOM 510 HZ3 LYS 32 29.116 -13.976 29.304 1.00 10.45 ATOM 511 C LYS 32 22.486 -12.893 26.877 1.00 33.23 ATOM 512 O LYS 32 21.815 -13.926 26.810 1.00 0.40 ATOM 513 N THR 33 22.859 -12.196 25.801 1.00 10.02 ATOM 514 HN THR 33 23.412 -11.397 25.926 1.00 37.41 ATOM 515 CA THR 33 22.456 -12.570 24.433 1.00 72.34 ATOM 516 HA THR 33 21.393 -12.384 24.339 1.00 5.23 ATOM 517 CB THR 33 23.190 -11.707 23.377 1.00 52.24 ATOM 518 HB THR 33 24.241 -11.964 23.393 1.00 32.52 ATOM 519 OG1 THR 33 23.051 -10.313 23.701 1.00 42.10 ATOM 520 HG1 THR 33 22.963 -9.798 22.885 1.00 51.14 ATOM 521 CG2 THR 33 22.649 -11.958 21.969 1.00 2.45 ATOM 522 HG21 THR 33 23.176 -11.332 21.263 1.00 61.54 ATOM 523 HG22 THR 33 21.594 -11.723 21.939 1.00 72.23 ATOM 524 HG23 THR 33 22.793 -12.996 21.705 1.00 73.44 ATOM 525 C THR 33 22.731 -14.049 24.124 1.00 3.23 ATOM 526 O THR 33 23.819 -14.560 24.393 1.00 24.03 ATOM 527 N ILE 34 21.738 -14.721 23.546 1.00 13.23 ATOM 528 HN ILE 34 20.894 -14.255 23.366 1.00 37.41 ATOM 529 CA ILE 34 21.861 -16.135 23.171 1.00 13.32 ATOM 530 HA ILE 34 22.145 -16.688 24.056 1.00 11.23 ATOM 531 CB ILE 34 20.506 -16.700 22.661 1.00 22.22 ATOM 532 HB ILE 34 20.163 -16.065 21.855 1.00 12.30 ATOM 533 CG1 ILE 34 19.453 -16.687 23.784 1.00 45.25 ATOM 534 HG11 ILE 34 18.498 -16.987 23.376 1.00 37.41 ATOM 535 HG12 ILE 34 19.369 -15.686 24.180 1.00 41.14 ATOM 536 CG2 ILE 34 20.676 -18.114 22.100 1.00 14.04 ATOM 537 HG21 ILE 34 21.095 -18.758 22.860 1.00 72.32 ATOM 538 HG22 ILE 34 21.338 -18.089 21.247 1.00 14.24 ATOM 539 HG23 ILE 34 19.713 -18.500 21.794 1.00 31.04 ATOM 540 CD1 ILE 34 19.777 -17.613 24.942 1.00 44.33 ATOM 541 HD11 ILE 34 20.707 -17.310 25.399 1.00 1.42 ATOM 542 HD12 ILE 34 19.866 -18.628 24.580 1.00 74.50 ATOM 543 HD13 ILE 34 18.983 -17.563 25.674 1.00 71.45 ATOM 544 C ILE 34 22.935 -16.347 22.089 1.00 10.14 ATOM 545 O ILE 34 22.830 -15.822 20.978 1.00 2.25 ATOM 546 N SER 35 23.969 -17.113 22.424 1.00 42.15 ATOM 547 HN SER 35 24.035 -17.449 23.344 1.00 37.41 ATOM 548 CA SER 35 25.019 -17.464 21.460 1.00 52.22 ATOM 549 HA SER 35 25.187 -16.609 20.820 1.00 64.24 ATOM 550 CB SER 35 26.328 -17.819 22.181 1.00 71.31 ATOM 551 HB1 SER 35 27.093 -18.034 21.447 1.00 37.41 ATOM 552 HB2 SER 35 26.169 -18.692 22.797 1.00 4.53 ATOM 553 OG SER 35 26.783 -16.757 23.009 1.00 53.31 ATOM 554 HG SER 35 27.484 -17.088 23.589 1.00 64.34 ATOM 555 C SER 35 24.581 -18.654 20.598 1.00 44.34 ATOM 556 O SER 35 24.738 -18.648 19.376 1.00 4.12 ATOM 557 N ASP 36 24.030 -19.674 21.253 1.00 44.13 ATOM 558 HN ASP 36 23.917 -19.603 22.224 1.00 37.41 ATOM 559 CA ASP 36 23.587 -20.898 20.581 1.00 12.40 ATOM 560 HA ASP 36 23.588 -20.720 19.515 1.00 54.14 ATOM 561 CB ASP 36 24.560 -22.040 20.901 1.00 60.03 ATOM 562 HB1 ASP 36 24.307 -22.902 20.300 1.00 37.41 ATOM 563 HB2 ASP 36 24.471 -22.300 21.946 1.00 52.44 ATOM 564 CG ASP 36 26.004 -21.663 20.617 1.00 42.53 ATOM 565 OD1 ASP 36 26.761 -21.405 21.581 1.00 54.02 ATOM 566 OD2 ASP 36 26.390 -21.615 19.432 1.00 52.24 ATOM 567 C ASP 36 22.159 -21.274 21.029 1.00 41.02 ATOM 568 O ASP 36 21.966 -21.805 22.126 1.00 20.44 ATOM 569 N PRO 37 21.135 -21.005 20.190 1.00 14.34 ATOM 570 CA PRO 37 19.728 -21.216 20.571 1.00 24.34 ATOM 571 HA PRO 37 19.506 -20.727 21.510 1.00 75.44 ATOM 572 CB PRO 37 18.949 -20.522 19.445 1.00 31.04 ATOM 573 HB1 PRO 37 18.726 -19.503 19.733 1.00 37.41 ATOM 574 HB2 PRO 37 18.026 -21.054 19.254 1.00 74.51 ATOM 575 CG PRO 37 19.861 -20.565 18.267 1.00 73.51 ATOM 576 HG1 PRO 37 19.666 -19.721 17.620 1.00 37.41 ATOM 577 HG2 PRO 37 19.715 -21.490 17.725 1.00 2.13 ATOM 578 CD PRO 37 21.266 -20.494 18.812 1.00 75.31 ATOM 579 HD1 PRO 37 21.624 -19.475 18.812 1.00 37.41 ATOM 580 HD2 PRO 37 21.925 -21.126 18.231 1.00 71.31 ATOM 581 C PRO 37 19.347 -22.700 20.688 1.00 71.41 ATOM 582 O PRO 37 18.702 -23.106 21.659 1.00 1.55 ATOM 583 N GLU 38 19.754 -23.513 19.710 1.00 21.02 ATOM 584 HN GLU 38 20.261 -23.142 18.957 1.00 37.41 ATOM 585 CA GLU 38 19.470 -24.954 19.743 1.00 4.23 ATOM 586 HA GLU 38 18.399 -25.072 19.840 1.00 45.33 ATOM 587 CB GLU 38 19.931 -25.645 18.445 1.00 42.34 ATOM 588 HB1 GLU 38 19.737 -26.706 18.532 1.00 37.41 ATOM 589 HB2 GLU 38 20.997 -25.498 18.333 1.00 73.22 ATOM 590 CG GLU 38 19.242 -25.138 17.173 1.00 55.13 ATOM 591 HG1 GLU 38 18.197 -24.969 17.397 1.00 37.41 ATOM 592 HG2 GLU 38 19.320 -25.898 16.410 1.00 54.12 ATOM 593 CD GLU 38 19.830 -23.845 16.621 1.00 64.41 ATOM 594 OE1 GLU 38 19.154 -23.177 15.810 1.00 25.54 ATOM 595 OE2 GLU 38 20.975 -23.493 16.989 1.00 65.14 ATOM 596 C GLU 38 20.145 -25.618 20.953 1.00 14.42 ATOM 597 O GLU 38 19.526 -26.408 21.669 1.00 12.43 ATOM 598 N GLY 39 21.415 -25.283 21.179 1.00 40.41 ATOM 599 HN GLY 39 21.869 -24.676 20.553 1.00 37.41 ATOM 600 CA GLY 39 22.140 -25.810 22.333 1.00 24.32 ATOM 601 HA1 GLY 39 23.158 -25.450 22.299 1.00 37.41 ATOM 602 HA2 GLY 39 22.150 -26.889 22.276 1.00 31.54 ATOM 603 C GLY 39 21.515 -25.392 23.662 1.00 2.52 ATOM 604 O GLY 39 21.421 -26.193 24.595 1.00 1.31 ATOM 605 N PHE 40 21.080 -24.135 23.739 1.00 62.12 ATOM 606 HN PHE 40 21.230 -23.536 22.975 1.00 37.41 ATOM 607 CA PHE 40 20.394 -23.611 24.926 1.00 54.14 ATOM 608 HA PHE 40 21.075 -23.687 25.762 1.00 64.52 ATOM 609 CB PHE 40 20.038 -22.132 24.703 1.00 23.30 ATOM 610 HB1 PHE 40 19.403 -22.054 23.831 1.00 37.41 ATOM 611 HB2 PHE 40 20.947 -21.578 24.524 1.00 33.44 ATOM 612 CG PHE 40 19.321 -21.481 25.862 1.00 32.55 ATOM 613 CD1 PHE 40 20.015 -21.114 27.006 1.00 63.04 ATOM 614 HD1 PHE 40 21.078 -21.297 27.062 1.00 25.01 ATOM 615 CD2 PHE 40 17.953 -21.234 25.808 1.00 44.03 ATOM 616 HD2 PHE 40 17.397 -21.513 24.923 1.00 14.45 ATOM 617 CE1 PHE 40 19.364 -20.519 28.070 1.00 1.14 ATOM 618 HE1 PHE 40 19.917 -20.239 28.955 1.00 52.43 ATOM 619 CE2 PHE 40 17.299 -20.638 26.870 1.00 31.02 ATOM 620 HE2 PHE 40 16.237 -20.450 26.814 1.00 2.13 ATOM 621 CZ PHE 40 18.005 -20.280 28.001 1.00 4.41 ATOM 622 HZ PHE 40 17.493 -19.816 28.833 1.00 24.03 ATOM 623 C PHE 40 19.125 -24.424 25.243 1.00 31.43 ATOM 624 O PHE 40 18.845 -24.737 26.403 1.00 21.23 ATOM 625 N LEU 41 18.365 -24.761 24.203 1.00 14.14 ATOM 626 HN LEU 41 18.628 -24.461 23.306 1.00 37.41 ATOM 627 CA LEU 41 17.142 -25.559 24.359 1.00 64.40 ATOM 628 HA LEU 41 16.550 -25.100 25.141 1.00 30.05 ATOM 629 CB LEU 41 16.332 -25.549 23.053 1.00 32.44 ATOM 630 HB1 LEU 41 15.467 -26.184 23.185 1.00 37.41 ATOM 631 HB2 LEU 41 16.949 -25.972 22.272 1.00 1.23 ATOM 632 CG LEU 41 15.847 -24.166 22.587 1.00 3.21 ATOM 633 HG LEU 41 16.702 -23.515 22.476 1.00 23.20 ATOM 634 CD1 LEU 41 15.158 -24.263 21.227 1.00 73.12 ATOM 635 HD11 LEU 41 14.842 -23.280 20.910 1.00 25.34 ATOM 636 HD12 LEU 41 14.295 -24.911 21.302 1.00 64.20 ATOM 637 HD13 LEU 41 15.848 -24.669 20.501 1.00 72.32 ATOM 638 CD2 LEU 41 14.914 -23.544 23.625 1.00 33.13 ATOM 639 HD21 LEU 41 15.435 -23.446 24.566 1.00 64.42 ATOM 640 HD22 LEU 41 14.046 -24.174 23.757 1.00 50.32 ATOM 641 HD23 LEU 41 14.601 -22.567 23.286 1.00 14.24 ATOM 642 C LEU 41 17.457 -27.008 24.770 1.00 24.41 ATOM 643 O LEU 41 16.821 -27.558 25.664 1.00 45.24 ATOM 644 N GLN 42 18.448 -27.617 24.120 1.00 41.05 ATOM 645 HN GLN 42 18.935 -27.122 23.424 1.00 37.41 ATOM 646 CA GLN 42 18.827 -29.011 24.404 1.00 11.32 ATOM 647 HA GLN 42 17.979 -29.637 24.159 1.00 1.41 ATOM 648 CB GLN 42 20.020 -29.419 23.514 1.00 42.35 ATOM 649 HB1 GLN 42 20.913 -28.939 23.891 1.00 37.41 ATOM 650 HB2 GLN 42 19.835 -29.058 22.512 1.00 54.40 ATOM 651 CG GLN 42 20.292 -30.929 23.423 1.00 4.25 ATOM 652 HG1 GLN 42 20.943 -31.107 22.578 1.00 37.41 ATOM 653 HG2 GLN 42 19.352 -31.435 23.255 1.00 73.33 ATOM 654 CD GLN 42 20.941 -31.525 24.668 1.00 71.21 ATOM 655 OE1 GLN 42 22.156 -31.507 24.816 1.00 31.34 ATOM 656 NE2 GLN 42 20.147 -32.095 25.553 1.00 4.20 ATOM 657 HE21 GLN 42 19.184 -32.113 25.376 1.00 62.21 ATOM 658 HE22 GLN 42 20.558 -32.481 26.352 1.00 41.14 ATOM 659 C GLN 42 19.165 -29.206 25.893 1.00 14.41 ATOM 660 O GLN 42 18.634 -30.104 26.548 1.00 31.53 ATOM 661 N ALA 43 20.038 -28.353 26.420 1.00 61.05 ATOM 662 HN ALA 43 20.402 -27.636 25.855 1.00 37.41 ATOM 663 CA ALA 43 20.474 -28.453 27.817 1.00 43.14 ATOM 664 HA ALA 43 20.858 -29.453 27.972 1.00 42.13 ATOM 665 CB ALA 43 21.610 -27.472 28.071 1.00 73.51 ATOM 666 HB1 ALA 43 21.967 -27.585 29.084 1.00 51.03 ATOM 667 HB2 ALA 43 21.255 -26.462 27.924 1.00 5.42 ATOM 668 HB3 ALA 43 22.417 -27.673 27.381 1.00 3.21 ATOM 669 C ALA 43 19.322 -28.207 28.810 1.00 0.10 ATOM 670 O ALA 43 19.157 -28.949 29.779 1.00 22.35 ATOM 671 N SER 44 18.524 -27.170 28.552 1.00 10.44 ATOM 672 HN SER 44 18.666 -26.658 27.728 1.00 37.41 ATOM 673 CA SER 44 17.431 -26.776 29.460 1.00 70.25 ATOM 674 HA SER 44 17.835 -26.737 30.462 1.00 15.50 ATOM 675 CB SER 44 16.909 -25.380 29.087 1.00 32.44 ATOM 676 HB1 SER 44 17.704 -24.658 29.200 1.00 37.41 ATOM 677 HB2 SER 44 16.090 -25.115 29.738 1.00 34.10 ATOM 678 OG SER 44 16.448 -25.342 27.744 1.00 70.24 ATOM 679 HG SER 44 17.056 -24.814 27.211 1.00 51.04 ATOM 680 C SER 44 16.269 -27.782 29.439 1.00 23.42 ATOM 681 O SER 44 15.741 -28.163 30.486 1.00 62.13 ATOM 682 N LEU 45 15.874 -28.207 28.242 1.00 75.54 ATOM 683 HN LEU 45 16.340 -27.876 27.445 1.00 37.41 ATOM 684 CA LEU 45 14.752 -29.143 28.076 1.00 11.24 ATOM 685 HA LEU 45 13.969 -28.847 28.762 1.00 60.35 ATOM 686 CB LEU 45 14.208 -29.058 26.642 1.00 74.15 ATOM 687 HB1 LEU 45 13.368 -29.733 26.556 1.00 37.41 ATOM 688 HB2 LEU 45 14.984 -29.393 25.967 1.00 41.43 ATOM 689 CG LEU 45 13.747 -27.661 26.192 1.00 44.31 ATOM 690 HG LEU 45 14.574 -26.970 26.287 1.00 43.31 ATOM 691 CD1 LEU 45 13.322 -27.679 24.727 1.00 14.31 ATOM 692 HD11 LEU 45 12.482 -28.348 24.600 1.00 61.21 ATOM 693 HD12 LEU 45 14.147 -28.019 24.116 1.00 21.33 ATOM 694 HD13 LEU 45 13.038 -26.683 24.421 1.00 24.33 ATOM 695 CD2 LEU 45 12.609 -27.157 27.074 1.00 25.45 ATOM 696 HD21 LEU 45 12.951 -27.086 28.096 1.00 44.12 ATOM 697 HD22 LEU 45 11.776 -27.843 27.021 1.00 13.11 ATOM 698 HD23 LEU 45 12.293 -26.181 26.734 1.00 5.30 ATOM 699 C LEU 45 15.159 -30.594 28.389 1.00 21.43 ATOM 700 O LEU 45 14.300 -31.465 28.516 1.00 32.10 ATOM 701 N LYS 46 16.465 -30.833 28.528 1.00 34.52 ATOM 702 HN LYS 46 17.084 -30.074 28.485 1.00 37.41 ATOM 703 CA LYS 46 17.021 -32.185 28.728 1.00 42.20 ATOM 704 HA LYS 46 16.960 -32.705 27.784 1.00 34.30 ATOM 705 CB LYS 46 18.500 -32.077 29.134 1.00 71.42 ATOM 706 HB1 LYS 46 18.562 -31.586 30.095 1.00 37.41 ATOM 707 HB2 LYS 46 19.019 -31.474 28.401 1.00 4.04 ATOM 708 CG LYS 46 19.217 -33.421 29.237 1.00 2.45 ATOM 709 HG1 LYS 46 19.221 -33.886 28.260 1.00 37.41 ATOM 710 HG2 LYS 46 18.676 -34.051 29.928 1.00 55.22 ATOM 711 CD LYS 46 20.662 -33.286 29.726 1.00 23.42 ATOM 712 HD1 LYS 46 21.136 -32.471 29.193 1.00 37.41 ATOM 713 HD2 LYS 46 21.188 -34.205 29.508 1.00 74.41 ATOM 714 CE LYS 46 20.757 -33.015 31.231 1.00 5.43 ATOM 715 HE1 LYS 46 21.790 -33.119 31.535 1.00 37.41 ATOM 716 HE2 LYS 46 20.160 -33.750 31.752 1.00 13.23 ATOM 717 NZ LYS 46 20.277 -31.656 31.614 1.00 43.10 ATOM 718 HZ1 LYS 46 20.759 -30.929 31.048 1.00 72.23 ATOM 719 HZ2 LYS 46 20.481 -31.481 32.620 1.00 5.54 ATOM 720 HZ3 LYS 46 19.250 -31.577 31.469 1.00 60.41 ATOM 721 C LYS 46 16.258 -33.003 29.791 1.00 11.11 ATOM 722 O LYS 46 15.885 -34.152 29.556 1.00 12.34 ATOM 723 N ASP 47 16.041 -32.403 30.959 1.00 34.53 ATOM 724 HN ASP 47 16.332 -31.473 31.075 1.00 37.41 ATOM 725 CA ASP 47 15.403 -33.093 32.089 1.00 1.31 ATOM 726 HA ASP 47 15.783 -34.105 32.110 1.00 73.25 ATOM 727 CB ASP 47 15.800 -32.398 33.393 1.00 10.34 ATOM 728 HB1 ASP 47 15.378 -32.939 34.229 1.00 37.41 ATOM 729 HB2 ASP 47 15.414 -31.388 33.391 1.00 44.32 ATOM 730 CG ASP 47 17.309 -32.344 33.560 1.00 34.10 ATOM 731 OD1 ASP 47 17.860 -33.140 34.353 1.00 10.52 ATOM 732 OD2 ASP 47 17.953 -31.520 32.879 1.00 10.44 ATOM 733 C ASP 47 13.867 -33.156 31.959 1.00 52.34 ATOM 734 O ASP 47 13.184 -33.670 32.846 1.00 40.52 ATOM 735 N GLY 48 13.329 -32.616 30.868 1.00 42.04 ATOM 736 HN GLY 48 13.912 -32.155 30.230 1.00 37.41 ATOM 737 CA GLY 48 11.895 -32.718 30.592 1.00 25.05 ATOM 738 HA1 GLY 48 11.574 -33.728 30.810 1.00 37.41 ATOM 739 HA2 GLY 48 11.740 -32.534 29.541 1.00 22.24 ATOM 740 C GLY 48 11.019 -31.744 31.384 1.00 21.22 ATOM 741 O GLY 48 9.969 -31.324 30.898 1.00 63.11 ATOM 742 N VAL 49 11.451 -31.378 32.594 1.00 75.25 ATOM 743 HN VAL 49 12.318 -31.714 32.902 1.00 37.41 ATOM 744 CA VAL 49 10.666 -30.510 33.495 1.00 44.40 ATOM 745 HA VAL 49 9.850 -31.103 33.890 1.00 60.20 ATOM 746 CB VAL 49 11.523 -30.023 34.692 1.00 44.24 ATOM 747 HB VAL 49 12.300 -29.375 34.307 1.00 12.24 ATOM 748 CG1 VAL 49 10.677 -29.213 35.677 1.00 32.23 ATOM 749 HG11 VAL 49 9.867 -29.827 36.050 1.00 54.33 ATOM 750 HG12 VAL 49 10.268 -28.347 35.177 1.00 34.34 ATOM 751 HG13 VAL 49 11.292 -28.891 36.506 1.00 51.40 ATOM 752 CG2 VAL 49 12.196 -31.205 35.391 1.00 2.33 ATOM 753 HG21 VAL 49 12.791 -30.845 36.219 1.00 61.13 ATOM 754 HG22 VAL 49 12.834 -31.724 34.689 1.00 31.14 ATOM 755 HG23 VAL 49 11.442 -31.885 35.761 1.00 73.54 ATOM 756 C VAL 49 10.074 -29.281 32.774 1.00 44.35 ATOM 757 O VAL 49 8.891 -28.967 32.930 1.00 41.35 ATOM 758 N VAL 50 10.899 -28.590 31.984 1.00 60.04 ATOM 759 HN VAL 50 11.830 -28.880 31.899 1.00 37.41 ATOM 760 CA VAL 50 10.444 -27.403 31.242 1.00 45.24 ATOM 761 HA VAL 50 10.038 -26.703 31.962 1.00 62.22 ATOM 762 CB VAL 50 11.619 -26.710 30.504 1.00 10.11 ATOM 763 HB VAL 50 11.987 -27.386 29.743 1.00 63.44 ATOM 764 CG1 VAL 50 11.152 -25.427 29.813 1.00 51.32 ATOM 765 HG11 VAL 50 10.759 -24.741 30.550 1.00 4.22 ATOM 766 HG12 VAL 50 10.379 -25.663 29.095 1.00 10.53 ATOM 767 HG13 VAL 50 11.986 -24.967 29.302 1.00 63.30 ATOM 768 CG2 VAL 50 12.766 -26.417 31.472 1.00 72.15 ATOM 769 HG21 VAL 50 12.424 -25.740 32.242 1.00 30.35 ATOM 770 HG22 VAL 50 13.588 -25.965 30.935 1.00 74.45 ATOM 771 HG23 VAL 50 13.099 -27.340 31.927 1.00 13.13 ATOM 772 C VAL 50 9.336 -27.762 30.231 1.00 11.52 ATOM 773 O VAL 50 8.381 -27.005 30.045 1.00 5.23 ATOM 774 N LEU 51 9.463 -28.929 29.592 1.00 33.01 ATOM 775 HN LEU 51 10.256 -29.479 29.758 1.00 37.41 ATOM 776 CA LEU 51 8.440 -29.418 28.655 1.00 23.04 ATOM 777 HA LEU 51 8.264 -28.641 27.923 1.00 45.44 ATOM 778 CB LEU 51 8.923 -30.686 27.934 1.00 63.20 ATOM 779 HB1 LEU 51 8.106 -31.067 27.335 1.00 37.41 ATOM 780 HB2 LEU 51 9.167 -31.427 28.684 1.00 72.12 ATOM 781 CG LEU 51 10.143 -30.509 27.019 1.00 1.14 ATOM 782 HG LEU 51 10.981 -30.167 27.610 1.00 45.43 ATOM 783 CD1 LEU 51 10.533 -31.840 26.382 1.00 14.34 ATOM 784 HD11 LEU 51 11.402 -31.699 25.756 1.00 4.54 ATOM 785 HD12 LEU 51 9.714 -32.208 25.780 1.00 41.32 ATOM 786 HD13 LEU 51 10.761 -32.559 27.156 1.00 52.23 ATOM 787 CD2 LEU 51 9.864 -29.460 25.945 1.00 75.41 ATOM 788 HD21 LEU 51 10.734 -29.347 25.315 1.00 14.40 ATOM 789 HD22 LEU 51 9.639 -28.513 26.416 1.00 12.45 ATOM 790 HD23 LEU 51 9.021 -29.771 25.343 1.00 3.31 ATOM 791 C LEU 51 7.123 -29.713 29.386 1.00 22.31 ATOM 792 O LEU 51 6.040 -29.401 28.891 1.00 5.55 ATOM 793 N CYS 52 7.227 -30.319 30.567 1.00 51.31 ATOM 794 HN CYS 52 8.114 -30.600 30.882 1.00 37.41 ATOM 795 CA CYS 52 6.054 -30.587 31.404 1.00 63.13 ATOM 796 HA CYS 52 5.405 -31.260 30.859 1.00 60.33 ATOM 797 CB CYS 52 6.478 -31.255 32.717 1.00 14.23 ATOM 798 HB1 CYS 52 5.594 -31.548 33.266 1.00 37.41 ATOM 799 HB2 CYS 52 7.046 -30.550 33.308 1.00 72.12 ATOM 800 SG CYS 52 7.502 -32.731 32.494 1.00 72.14 ATOM 801 HG CYS 52 6.789 -33.632 31.830 1.00 32.01 ATOM 802 C CYS 52 5.293 -29.288 31.695 1.00 54.23 ATOM 803 O CYS 52 4.093 -29.190 31.445 1.00 60.45 ATOM 804 N ARG 53 6.014 -28.281 32.197 1.00 62.44 ATOM 805 HN ARG 53 6.960 -28.436 32.413 1.00 37.41 ATOM 806 CA ARG 53 5.435 -26.952 32.442 1.00 10.13 ATOM 807 HA ARG 53 4.660 -27.057 33.188 1.00 71.45 ATOM 808 CB ARG 53 6.506 -25.991 32.965 1.00 3.42 ATOM 809 HB1 ARG 53 6.068 -25.007 33.065 1.00 37.41 ATOM 810 HB2 ARG 53 7.310 -25.942 32.243 1.00 50.11 ATOM 811 CG ARG 53 7.101 -26.385 34.311 1.00 24.12 ATOM 812 HG1 ARG 53 7.595 -27.343 34.212 1.00 37.41 ATOM 813 HG2 ARG 53 6.308 -26.461 35.041 1.00 51.43 ATOM 814 CD ARG 53 8.115 -25.354 34.789 1.00 40.14 ATOM 815 HD1 ARG 53 7.645 -24.379 34.792 1.00 37.41 ATOM 816 HD2 ARG 53 8.951 -25.345 34.104 1.00 72.41 ATOM 817 NE ARG 53 8.609 -25.652 36.131 1.00 21.31 ATOM 818 HE ARG 53 9.110 -26.480 36.254 1.00 53.13 ATOM 819 CZ ARG 53 8.426 -24.877 37.165 1.00 12.02 ATOM 820 NH1 ARG 53 7.747 -23.777 37.054 1.00 4.44 ATOM 821 HH11 ARG 53 7.356 -23.515 36.171 1.00 70.21 ATOM 822 HH12 ARG 53 7.615 -23.194 37.851 1.00 25.43 ATOM 823 NH2 ARG 53 8.921 -25.208 38.312 1.00 51.25 ATOM 824 HH21 ARG 53 9.448 -26.052 38.405 1.00 70.32 ATOM 825 HH22 ARG 53 8.768 -24.625 39.106 1.00 53.32 ATOM 826 C ARG 53 4.819 -26.367 31.163 1.00 34.03 ATOM 827 O ARG 53 3.726 -25.797 31.186 1.00 65.35 ATOM 828 N LEU 54 5.546 -26.502 30.057 1.00 44.31 ATOM 829 HN LEU 54 6.432 -26.917 30.124 1.00 37.41 ATOM 830 CA LEU 54 5.077 -26.053 28.743 1.00 20.15 ATOM 831 HA LEU 54 4.994 -24.976 28.771 1.00 44.41 ATOM 832 CB LEU 54 6.105 -26.447 27.673 1.00 31.33 ATOM 833 HB1 LEU 54 6.239 -27.518 27.717 1.00 37.41 ATOM 834 HB2 LEU 54 7.047 -25.977 27.922 1.00 34.25 ATOM 835 CG LEU 54 5.750 -26.071 26.227 1.00 21.21 ATOM 836 HG LEU 54 4.798 -26.513 25.971 1.00 43.21 ATOM 837 CD1 LEU 54 5.616 -24.560 26.077 1.00 62.42 ATOM 838 HD11 LEU 54 6.551 -24.084 26.336 1.00 10.43 ATOM 839 HD12 LEU 54 4.836 -24.200 26.733 1.00 51.42 ATOM 840 HD13 LEU 54 5.362 -24.320 25.055 1.00 34.23 ATOM 841 CD2 LEU 54 6.799 -26.623 25.260 1.00 62.30 ATOM 842 HD21 LEU 54 6.523 -26.371 24.245 1.00 55.32 ATOM 843 HD22 LEU 54 6.852 -27.697 25.359 1.00 50.22 ATOM 844 HD23 LEU 54 7.764 -26.191 25.486 1.00 35.52 ATOM 845 C LEU 54 3.700 -26.650 28.411 1.00 34.01 ATOM 846 O LEU 54 2.777 -25.935 28.010 1.00 42.13 ATOM 847 N LEU 55 3.563 -27.961 28.603 1.00 12.35 ATOM 848 HN LEU 55 4.333 -28.480 28.919 1.00 37.41 ATOM 849 CA LEU 55 2.295 -28.648 28.351 1.00 65.44 ATOM 850 HA LEU 55 1.989 -28.403 27.343 1.00 53.53 ATOM 851 CB LEU 55 2.477 -30.171 28.452 1.00 64.12 ATOM 852 HB1 LEU 55 2.733 -30.414 29.474 1.00 37.41 ATOM 853 HB2 LEU 55 3.306 -30.454 27.817 1.00 33.15 ATOM 854 CG LEU 55 1.251 -31.013 28.051 1.00 72.44 ATOM 855 HG LEU 55 0.436 -30.792 28.728 1.00 2.32 ATOM 856 CD1 LEU 55 0.790 -30.670 26.635 1.00 31.14 ATOM 857 HD11 LEU 55 0.514 -29.626 26.586 1.00 24.44 ATOM 858 HD12 LEU 55 -0.065 -31.278 26.376 1.00 42.42 ATOM 859 HD13 LEU 55 1.591 -30.863 25.936 1.00 50.35 ATOM 860 CD2 LEU 55 1.563 -32.505 28.165 1.00 12.11 ATOM 861 HD21 LEU 55 0.697 -33.079 27.870 1.00 10.04 ATOM 862 HD22 LEU 55 1.818 -32.744 29.186 1.00 12.21 ATOM 863 HD23 LEU 55 2.394 -32.752 27.520 1.00 52.53 ATOM 864 C LEU 55 1.199 -28.167 29.320 1.00 74.00 ATOM 865 O LEU 55 0.051 -28.004 28.923 1.00 32.52 ATOM 866 N GLU 56 1.559 -27.926 30.583 1.00 63.23 ATOM 867 HN GLU 56 2.482 -28.112 30.860 1.00 37.41 ATOM 868 CA GLU 56 0.604 -27.394 31.575 1.00 60.24 ATOM 869 HA GLU 56 -0.240 -28.069 31.621 1.00 24.14 ATOM 870 CB GLU 56 1.247 -27.302 32.966 1.00 15.12 ATOM 871 HB1 GLU 56 0.502 -26.955 33.670 1.00 37.41 ATOM 872 HB2 GLU 56 2.049 -26.577 32.928 1.00 60.04 ATOM 873 CG GLU 56 1.820 -28.611 33.487 1.00 3.31 ATOM 874 HG1 GLU 56 2.634 -28.915 32.845 1.00 37.41 ATOM 875 HG2 GLU 56 1.046 -29.367 33.461 1.00 15.23 ATOM 876 CD GLU 56 2.342 -28.489 34.910 1.00 64.22 ATOM 877 OE1 GLU 56 1.726 -29.074 35.829 1.00 42.11 ATOM 878 OE2 GLU 56 3.360 -27.792 35.121 1.00 34.51 ATOM 879 C GLU 56 0.104 -25.998 31.178 1.00 54.04 ATOM 880 O GLU 56 -1.056 -25.650 31.399 1.00 61.43 ATOM 881 N ARG 57 1.000 -25.197 30.612 1.00 11.33 ATOM 882 HN ARG 57 1.910 -25.536 30.462 1.00 37.41 ATOM 883 CA ARG 57 0.679 -23.825 30.215 1.00 50.20 ATOM 884 HA ARG 57 0.206 -23.338 31.054 1.00 3.35 ATOM 885 CB ARG 57 1.975 -23.079 29.872 1.00 25.11 ATOM 886 HB1 ARG 57 2.353 -23.456 28.932 1.00 37.41 ATOM 887 HB2 ARG 57 2.706 -23.284 30.643 1.00 21.34 ATOM 888 CG ARG 57 1.826 -21.565 29.753 1.00 4.34 ATOM 889 HG1 ARG 57 1.116 -21.345 28.970 1.00 37.41 ATOM 890 HG2 ARG 57 2.786 -21.138 29.498 1.00 64.00 ATOM 891 CD ARG 57 1.338 -20.935 31.057 1.00 63.00 ATOM 892 HD1 ARG 57 1.837 -21.417 31.887 1.00 37.41 ATOM 893 HD2 ARG 57 0.271 -21.092 31.143 1.00 42.51 ATOM 894 NE ARG 57 1.615 -19.500 31.111 1.00 42.31 ATOM 895 HE ARG 57 2.545 -19.220 30.999 1.00 22.44 ATOM 896 CZ ARG 57 0.720 -18.576 31.332 1.00 53.15 ATOM 897 NH1 ARG 57 -0.531 -18.875 31.456 1.00 45.13 ATOM 898 HH11 ARG 57 -0.828 -19.819 31.382 1.00 35.54 ATOM 899 HH12 ARG 57 -1.198 -18.152 31.625 1.00 70.24 ATOM 900 NH2 ARG 57 1.083 -17.342 31.425 1.00 14.43 ATOM 901 HH21 ARG 57 2.047 -17.096 31.330 1.00 4.54 ATOM 902 HH22 ARG 57 0.400 -16.634 31.592 1.00 71.13 ATOM 903 C ARG 57 -0.286 -23.802 29.015 1.00 22.23 ATOM 904 O ARG 57 -1.125 -22.909 28.894 1.00 55.43 ATOM 905 N LEU 58 -0.152 -24.790 28.134 1.00 0.22 ATOM 906 HN LEU 58 0.556 -25.455 28.279 1.00 37.41 ATOM 907 CA LEU 58 -1.010 -24.912 26.947 1.00 73.12 ATOM 908 HA LEU 58 -1.347 -23.920 26.675 1.00 55.34 ATOM 909 CB LEU 58 -0.187 -25.494 25.790 1.00 53.05 ATOM 910 HB1 LEU 58 -0.811 -25.525 24.908 1.00 37.41 ATOM 911 HB2 LEU 58 0.091 -26.507 26.049 1.00 3.31 ATOM 912 CG LEU 58 1.093 -24.712 25.449 1.00 51.33 ATOM 913 HG LEU 58 1.707 -24.644 26.337 1.00 21.14 ATOM 914 CD1 LEU 58 1.905 -25.436 24.380 1.00 33.54 ATOM 915 HD11 LEU 58 1.310 -25.548 23.485 1.00 72.11 ATOM 916 HD12 LEU 58 2.193 -26.412 24.745 1.00 13.51 ATOM 917 HD13 LEU 58 2.792 -24.862 24.151 1.00 52.33 ATOM 918 CD2 LEU 58 0.757 -23.289 25.004 1.00 4.40 ATOM 919 HD21 LEU 58 1.666 -22.771 24.734 1.00 10.11 ATOM 920 HD22 LEU 58 0.273 -22.764 25.814 1.00 30.13 ATOM 921 HD23 LEU 58 0.095 -23.322 24.150 1.00 61.25 ATOM 922 C LEU 58 -2.242 -25.796 27.228 1.00 0.33 ATOM 923 O LEU 58 -3.386 -25.354 27.095 1.00 41.30 ATOM 924 N LEU 59 -1.996 -27.052 27.605 1.00 71.31 ATOM 925 HN LEU 59 -1.068 -27.362 27.630 1.00 37.41 ATOM 926 CA LEU 59 -3.064 -27.991 27.986 1.00 11.43 ATOM 927 HA LEU 59 -4.017 -27.524 27.774 1.00 20.24 ATOM 928 CB LEU 59 -2.950 -29.291 27.169 1.00 43.45 ATOM 929 HB1 LEU 59 -3.757 -29.947 27.465 1.00 37.41 ATOM 930 HB2 LEU 59 -2.014 -29.769 27.426 1.00 52.51 ATOM 931 CG LEU 59 -3.001 -29.127 25.639 1.00 12.12 ATOM 932 HG LEU 59 -2.224 -28.441 25.334 1.00 52.53 ATOM 933 CD1 LEU 59 -2.741 -30.461 24.942 1.00 1.23 ATOM 934 HD11 LEU 59 -3.491 -31.180 25.239 1.00 63.01 ATOM 935 HD12 LEU 59 -1.763 -30.826 25.219 1.00 34.22 ATOM 936 HD13 LEU 59 -2.780 -30.321 23.870 1.00 74.34 ATOM 937 CD2 LEU 59 -4.342 -28.545 25.196 1.00 60.52 ATOM 938 HD21 LEU 59 -5.140 -29.215 25.479 1.00 12.21 ATOM 939 HD22 LEU 59 -4.343 -28.419 24.123 1.00 61.25 ATOM 940 HD23 LEU 59 -4.492 -27.585 25.669 1.00 60.42 ATOM 941 C LEU 59 -2.993 -28.323 29.493 1.00 10.11 ATOM 942 O LEU 59 -2.368 -29.311 29.890 1.00 13.04 ATOM 943 N PRO 60 -3.631 -27.506 30.353 1.00 22.52 ATOM 944 CA PRO 60 -3.557 -27.678 31.818 1.00 45.15 ATOM 945 HA PRO 60 -2.530 -27.679 32.158 1.00 1.11 ATOM 946 CB PRO 60 -4.267 -26.426 32.355 1.00 71.41 ATOM 947 HB1 PRO 60 -3.538 -25.656 32.560 1.00 37.41 ATOM 948 HB2 PRO 60 -4.805 -26.668 33.262 1.00 41.10 ATOM 949 CG PRO 60 -5.193 -26.021 31.257 1.00 2.21 ATOM 950 HG1 PRO 60 -5.393 -24.960 31.312 1.00 37.41 ATOM 951 HG2 PRO 60 -6.116 -26.581 31.326 1.00 30.24 ATOM 952 CD PRO 60 -4.474 -26.354 29.976 1.00 2.11 ATOM 953 HD1 PRO 60 -3.866 -25.521 29.655 1.00 37.41 ATOM 954 HD2 PRO 60 -5.180 -26.625 29.203 1.00 14.31 ATOM 955 C PRO 60 -4.252 -28.958 32.324 1.00 11.23 ATOM 956 O PRO 60 -5.233 -29.423 31.744 1.00 60.15 ATOM 957 N GLY 61 -3.726 -29.523 33.415 1.00 14.11 ATOM 958 HN GLY 61 -2.934 -29.115 33.827 1.00 37.41 ATOM 959 CA GLY 61 -4.305 -30.730 34.007 1.00 4.11 ATOM 960 HA1 GLY 61 -5.383 -30.665 33.947 1.00 37.41 ATOM 961 HA2 GLY 61 -4.021 -30.771 35.048 1.00 15.30 ATOM 962 C GLY 61 -3.854 -32.020 33.329 1.00 63.11 ATOM 963 O GLY 61 -4.214 -33.117 33.762 1.00 33.32 ATOM 964 N THR 62 -3.062 -31.895 32.270 1.00 43.15 ATOM 965 HN THR 62 -2.791 -30.999 31.984 1.00 37.41 ATOM 966 CA THR 62 -2.597 -33.062 31.513 1.00 62.05 ATOM 967 HA THR 62 -3.412 -33.772 31.471 1.00 73.25 ATOM 968 CB THR 62 -2.222 -32.676 30.060 1.00 74.31 ATOM 969 HB THR 62 -1.372 -32.008 30.088 1.00 75.42 ATOM 970 OG1 THR 62 -3.328 -31.998 29.437 1.00 12.12 ATOM 971 HG1 THR 62 -3.126 -31.056 29.371 1.00 10.53 ATOM 972 CG2 THR 62 -1.854 -33.906 29.233 1.00 13.45 ATOM 973 HG21 THR 62 -1.616 -33.604 28.222 1.00 24.13 ATOM 974 HG22 THR 62 -2.687 -34.594 29.216 1.00 3.11 ATOM 975 HG23 THR 62 -0.995 -34.394 29.672 1.00 44.10 ATOM 976 C THR 62 -1.396 -33.739 32.194 1.00 4.53 ATOM 977 O THR 62 -1.233 -34.961 32.121 1.00 4.20 ATOM 978 N ILE 63 -0.562 -32.945 32.871 1.00 14.11 ATOM 979 HN ILE 63 -0.736 -31.979 32.898 1.00 37.41 ATOM 980 CA ILE 63 0.597 -33.480 33.596 1.00 52.43 ATOM 981 HA ILE 63 0.965 -34.335 33.042 1.00 21.24 ATOM 982 CB ILE 63 1.747 -32.439 33.694 1.00 53.42 ATOM 983 HB ILE 63 1.365 -31.566 34.202 1.00 30.44 ATOM 984 CG1 ILE 63 2.226 -32.028 32.289 1.00 60.23 ATOM 985 HG11 ILE 63 2.968 -31.247 32.382 1.00 37.41 ATOM 986 HG12 ILE 63 1.386 -31.648 31.724 1.00 11.32 ATOM 987 CG2 ILE 63 2.917 -32.989 34.515 1.00 12.25 ATOM 988 HG21 ILE 63 2.590 -33.179 35.527 1.00 53.41 ATOM 989 HG22 ILE 63 3.723 -32.268 34.528 1.00 73.00 ATOM 990 HG23 ILE 63 3.268 -33.910 34.072 1.00 63.02 ATOM 991 CD1 ILE 63 2.843 -33.160 31.491 1.00 64.30 ATOM 992 HD11 ILE 63 3.135 -32.795 30.517 1.00 51.10 ATOM 993 HD12 ILE 63 2.122 -33.956 31.375 1.00 75.40 ATOM 994 HD13 ILE 63 3.713 -33.534 32.009 1.00 43.31 ATOM 995 C ILE 63 0.192 -33.953 35.004 1.00 54.04 ATOM 996 O ILE 63 0.238 -33.195 35.976 1.00 53.54 ATOM 997 N GLU 64 -0.231 -35.213 35.084 1.00 63.42 ATOM 998 HN GLU 64 -0.258 -35.748 34.267 1.00 37.41 ATOM 999 CA GLU 64 -0.678 -35.821 36.343 1.00 21.23 ATOM 1000 HA GLU 64 -1.426 -35.173 36.779 1.00 11.22 ATOM 1001 CB GLU 64 -1.316 -37.184 36.044 1.00 15.21 ATOM 1002 HB1 GLU 64 -0.560 -37.840 35.636 1.00 37.41 ATOM 1003 HB2 GLU 64 -2.094 -37.049 35.303 1.00 53.02 ATOM 1004 CG GLU 64 -1.933 -37.863 37.258 1.00 4.33 ATOM 1005 HG1 GLU 64 -2.698 -37.217 37.668 1.00 37.41 ATOM 1006 HG2 GLU 64 -1.162 -38.017 38.000 1.00 75.43 ATOM 1007 CD GLU 64 -2.560 -39.204 36.918 1.00 43.14 ATOM 1008 OE1 GLU 64 -3.566 -39.219 36.177 1.00 0.22 ATOM 1009 OE2 GLU 64 -2.056 -40.244 37.391 1.00 75.13 ATOM 1010 C GLU 64 0.481 -35.988 37.342 1.00 3.22 ATOM 1011 O GLU 64 0.295 -35.885 38.560 1.00 0.35 ATOM 1012 N LYS 65 1.677 -36.247 36.818 1.00 0.34 ATOM 1013 HN LYS 65 1.762 -36.320 35.845 1.00 37.41 ATOM 1014 CA LYS 65 2.875 -36.414 37.644 1.00 11.25 ATOM 1015 HA LYS 65 2.734 -35.849 38.555 1.00 33.23 ATOM 1016 CB LYS 65 3.082 -37.894 38.002 1.00 32.24 ATOM 1017 HB1 LYS 65 3.204 -38.462 37.090 1.00 37.41 ATOM 1018 HB2 LYS 65 2.204 -38.253 38.522 1.00 35.02 ATOM 1019 CG LYS 65 4.300 -38.143 38.889 1.00 51.23 ATOM 1020 HG1 LYS 65 4.154 -37.637 39.834 1.00 37.41 ATOM 1021 HG2 LYS 65 5.178 -37.744 38.400 1.00 34.31 ATOM 1022 CD LYS 65 4.519 -39.626 39.153 1.00 33.40 ATOM 1023 HD1 LYS 65 4.666 -40.133 38.209 1.00 37.41 ATOM 1024 HD2 LYS 65 3.646 -40.028 39.648 1.00 54.34 ATOM 1025 CE LYS 65 5.738 -39.859 40.035 1.00 64.40 ATOM 1026 HE1 LYS 65 5.587 -39.353 40.980 1.00 37.41 ATOM 1027 HE2 LYS 65 6.607 -39.447 39.544 1.00 51.13 ATOM 1028 NZ LYS 65 5.969 -41.303 40.293 1.00 53.43 ATOM 1029 HZ1 LYS 65 6.753 -41.427 40.962 1.00 25.45 ATOM 1030 HZ2 LYS 65 6.206 -41.792 39.407 1.00 12.14 ATOM 1031 HZ3 LYS 65 5.112 -41.737 40.697 1.00 12.32 ATOM 1032 C LYS 65 4.117 -35.878 36.920 1.00 43.22 ATOM 1033 O LYS 65 4.197 -35.923 35.693 1.00 2.13 ATOM 1034 N VAL 66 5.076 -35.368 37.688 1.00 1.14 ATOM 1035 HN VAL 66 4.940 -35.330 38.658 1.00 37.41 ATOM 1036 CA VAL 66 6.327 -34.849 37.126 1.00 50.25 ATOM 1037 HA VAL 66 6.605 -35.476 36.288 1.00 53.22 ATOM 1038 CB VAL 66 6.147 -33.394 36.611 1.00 0.31 ATOM 1039 HB VAL 66 5.314 -33.386 35.920 1.00 15.43 ATOM 1040 CG1 VAL 66 5.809 -32.448 37.760 1.00 1.41 ATOM 1041 HG11 VAL 66 4.898 -32.775 38.240 1.00 42.45 ATOM 1042 HG12 VAL 66 5.674 -31.447 37.377 1.00 32.24 ATOM 1043 HG13 VAL 66 6.614 -32.451 38.481 1.00 51.43 ATOM 1044 CG2 VAL 66 7.390 -32.917 35.858 1.00 72.53 ATOM 1045 HG21 VAL 66 7.590 -33.585 35.033 1.00 62.43 ATOM 1046 HG22 VAL 66 8.239 -32.907 36.527 1.00 33.34 ATOM 1047 HG23 VAL 66 7.220 -31.919 35.479 1.00 14.13 ATOM 1048 C VAL 66 7.456 -34.883 38.169 1.00 24.35 ATOM 1049 O VAL 66 7.204 -34.860 39.375 1.00 43.23 ATOM 1050 N TYR 67 8.695 -34.960 37.699 1.00 25.41 ATOM 1051 HN TYR 67 8.827 -35.083 36.737 1.00 37.41 ATOM 1052 CA TYR 67 9.870 -34.874 38.570 1.00 25.12 ATOM 1053 HA TYR 67 9.538 -34.947 39.598 1.00 72.31 ATOM 1054 CB TYR 67 10.849 -36.023 38.280 1.00 74.42 ATOM 1055 HB1 TYR 67 11.711 -35.919 38.926 1.00 37.41 ATOM 1056 HB2 TYR 67 11.173 -35.955 37.252 1.00 51.15 ATOM 1057 CG TYR 67 10.275 -37.411 38.492 1.00 52.04 ATOM 1058 CD1 TYR 67 9.647 -38.092 37.456 1.00 44.44 ATOM 1059 HD1 TYR 67 9.560 -37.613 36.491 1.00 20.03 ATOM 1060 CD2 TYR 67 10.375 -38.046 39.726 1.00 62.50 ATOM 1061 HD2 TYR 67 10.857 -37.531 40.545 1.00 43.21 ATOM 1062 CE1 TYR 67 9.137 -39.362 37.640 1.00 13.14 ATOM 1063 HE1 TYR 67 8.654 -39.872 36.821 1.00 22.41 ATOM 1064 CE2 TYR 67 9.865 -39.316 39.919 1.00 73.32 ATOM 1065 HE2 TYR 67 9.953 -39.792 40.886 1.00 54.05 ATOM 1066 CZ TYR 67 9.248 -39.970 38.874 1.00 45.45 ATOM 1067 OH TYR 67 8.743 -41.239 39.062 1.00 42.55 ATOM 1068 HH TYR 67 9.028 -41.803 38.332 1.00 41.24 ATOM 1069 C TYR 67 10.593 -33.530 38.371 1.00 13.21 ATOM 1070 O TYR 67 11.500 -33.428 37.543 1.00 72.03 ATOM 1071 N PRO 68 10.197 -32.473 39.115 1.00 24.33 ATOM 1072 CA PRO 68 10.852 -31.153 39.026 1.00 65.35 ATOM 1073 HA PRO 68 10.879 -30.793 38.006 1.00 40.52 ATOM 1074 CB PRO 68 9.948 -30.248 39.874 1.00 72.13 ATOM 1075 HB1 PRO 68 9.226 -29.757 39.236 1.00 37.41 ATOM 1076 HB2 PRO 68 10.546 -29.505 40.385 1.00 71.22 ATOM 1077 CG PRO 68 9.284 -31.175 40.836 1.00 42.43 ATOM 1078 HG1 PRO 68 8.328 -30.770 41.138 1.00 37.41 ATOM 1079 HG2 PRO 68 9.917 -31.323 41.701 1.00 74.12 ATOM 1080 CD PRO 68 9.093 -32.475 40.096 1.00 13.53 ATOM 1081 HD1 PRO 68 8.135 -32.489 39.595 1.00 37.41 ATOM 1082 HD2 PRO 68 9.178 -33.313 40.774 1.00 73.13 ATOM 1083 C PRO 68 12.280 -31.184 39.590 1.00 63.11 ATOM 1084 O PRO 68 13.074 -30.262 39.381 1.00 1.01 ATOM 1085 N GLU 69 12.585 -32.262 40.304 1.00 24.25 ATOM 1086 HN GLU 69 11.887 -32.930 40.460 1.00 37.41 ATOM 1087 CA GLU 69 13.914 -32.497 40.864 1.00 5.44 ATOM 1088 HA GLU 69 14.587 -31.754 40.457 1.00 42.12 ATOM 1089 CB GLU 69 13.865 -32.340 42.397 1.00 1.33 ATOM 1090 HB1 GLU 69 13.672 -31.303 42.636 1.00 37.41 ATOM 1091 HB2 GLU 69 14.825 -32.618 42.808 1.00 51.33 ATOM 1092 CG GLU 69 12.790 -33.194 43.069 1.00 32.10 ATOM 1093 HG1 GLU 69 12.969 -34.232 42.821 1.00 37.41 ATOM 1094 HG2 GLU 69 11.824 -32.901 42.682 1.00 13.14 ATOM 1095 CD GLU 69 12.769 -33.052 44.582 1.00 25.33 ATOM 1096 OE1 GLU 69 12.094 -32.131 45.086 1.00 4.02 ATOM 1097 OE2 GLU 69 13.415 -33.866 45.274 1.00 65.12 ATOM 1098 C GLU 69 14.427 -33.899 40.465 1.00 22.40 ATOM 1099 O GLU 69 14.429 -34.826 41.271 1.00 32.52 ATOM 1100 N PRO 70 14.849 -34.078 39.196 1.00 53.43 ATOM 1101 CA PRO 70 15.294 -35.390 38.688 1.00 2.04 ATOM 1102 HA PRO 70 14.578 -36.164 38.930 1.00 20.32 ATOM 1103 CB PRO 70 15.318 -35.180 37.167 1.00 4.12 ATOM 1104 HB1 PRO 70 14.364 -35.464 36.746 1.00 37.41 ATOM 1105 HB2 PRO 70 16.102 -35.780 36.725 1.00 23.02 ATOM 1106 CG PRO 70 15.577 -33.721 36.989 1.00 42.03 ATOM 1107 HG1 PRO 70 15.144 -33.382 36.058 1.00 37.41 ATOM 1108 HG2 PRO 70 16.642 -33.535 36.994 1.00 44.05 ATOM 1109 CD PRO 70 14.916 -33.030 38.157 1.00 33.22 ATOM 1110 HD1 PRO 70 13.923 -32.697 37.886 1.00 37.41 ATOM 1111 HD2 PRO 70 15.516 -32.194 38.490 1.00 63.13 ATOM 1112 C PRO 70 16.684 -35.809 39.206 1.00 64.14 ATOM 1113 O PRO 70 17.672 -35.092 39.029 1.00 54.33 ATOM 1114 N ARG 71 16.751 -36.966 39.869 1.00 34.23 ATOM 1115 HN ARG 71 15.915 -37.451 40.061 1.00 37.41 ATOM 1116 CA ARG 71 18.029 -37.530 40.340 1.00 2.55 ATOM 1117 HA ARG 71 18.749 -36.723 40.390 1.00 20.25 ATOM 1118 CB ARG 71 17.877 -38.142 41.748 1.00 43.11 ATOM 1119 HB1 ARG 71 18.724 -38.787 41.940 1.00 37.41 ATOM 1120 HB2 ARG 71 16.976 -38.740 41.770 1.00 32.41 ATOM 1121 CG ARG 71 17.795 -37.120 42.882 1.00 14.51 ATOM 1122 HG1 ARG 71 18.670 -36.485 42.841 1.00 37.41 ATOM 1123 HG2 ARG 71 17.781 -37.646 43.826 1.00 31.31 ATOM 1124 CD ARG 71 16.550 -36.248 42.792 1.00 15.20 ATOM 1125 HD1 ARG 71 15.677 -36.877 42.896 1.00 37.41 ATOM 1126 HD2 ARG 71 16.530 -35.767 41.824 1.00 31.34 ATOM 1127 NE ARG 71 16.518 -35.223 43.836 1.00 22.44 ATOM 1128 HE ARG 71 16.327 -35.515 44.750 1.00 5.34 ATOM 1129 CZ ARG 71 16.692 -33.946 43.615 1.00 11.54 ATOM 1130 NH1 ARG 71 16.988 -33.518 42.430 1.00 54.44 ATOM 1131 HH11 ARG 71 17.087 -34.163 41.681 1.00 61.10 ATOM 1132 HH12 ARG 71 17.111 -32.541 42.270 1.00 23.22 ATOM 1133 NH2 ARG 71 16.584 -33.101 44.584 1.00 4.12 ATOM 1134 HH21 ARG 71 16.368 -33.423 45.502 1.00 22.43 ATOM 1135 HH22 ARG 71 16.713 -32.125 44.414 1.00 63.34 ATOM 1136 C ARG 71 18.564 -38.598 39.372 1.00 2.22 ATOM 1137 O ARG 71 19.759 -38.643 39.078 1.00 54.43 ATOM 1138 N SER 72 17.674 -39.462 38.890 1.00 3.53 ATOM 1139 HN SER 72 16.732 -39.359 39.143 1.00 37.41 ATOM 1140 CA SER 72 18.062 -40.569 38.000 1.00 24.01 ATOM 1141 HA SER 72 19.142 -40.600 37.962 1.00 12.23 ATOM 1142 CB SER 72 17.556 -41.903 38.567 1.00 62.41 ATOM 1143 HB1 SER 72 17.840 -42.707 37.902 1.00 37.41 ATOM 1144 HB2 SER 72 16.480 -41.873 38.654 1.00 1.13 ATOM 1145 OG SER 72 18.107 -42.157 39.848 1.00 23.13 ATOM 1146 HG SER 72 17.445 -41.969 40.525 1.00 30.15 ATOM 1147 C SER 72 17.529 -40.380 36.571 1.00 34.43 ATOM 1148 O SER 72 16.540 -39.683 36.347 1.00 71.43 ATOM 1149 N GLU 73 18.190 -41.032 35.615 1.00 51.24 ATOM 1150 HN GLU 73 18.963 -41.581 35.869 1.00 37.41 ATOM 1151 CA GLU 73 17.823 -40.948 34.193 1.00 10.42 ATOM 1152 HA GLU 73 18.059 -39.950 33.853 1.00 32.11 ATOM 1153 CB GLU 73 18.661 -41.949 33.389 1.00 61.13 ATOM 1154 HB1 GLU 73 18.554 -42.928 33.837 1.00 37.41 ATOM 1155 HB2 GLU 73 19.700 -41.653 33.442 1.00 54.12 ATOM 1156 CG GLU 73 18.268 -42.052 31.920 1.00 51.03 ATOM 1157 HG1 GLU 73 18.332 -41.068 31.474 1.00 37.41 ATOM 1158 HG2 GLU 73 17.249 -42.406 31.857 1.00 72.20 ATOM 1159 CD GLU 73 19.158 -43.002 31.140 1.00 74.11 ATOM 1160 OE1 GLU 73 18.941 -44.229 31.223 1.00 52.02 ATOM 1161 OE2 GLU 73 20.087 -42.530 30.454 1.00 62.55 ATOM 1162 C GLU 73 16.325 -41.211 33.948 1.00 33.44 ATOM 1163 O GLU 73 15.655 -40.437 33.258 1.00 30.04 ATOM 1164 N SER 74 15.807 -42.303 34.519 1.00 74.31 ATOM 1165 HN SER 74 16.390 -42.872 35.061 1.00 37.41 ATOM 1166 CA SER 74 14.392 -42.683 34.348 1.00 51.22 ATOM 1167 HA SER 74 14.251 -42.951 33.310 1.00 2.12 ATOM 1168 CB SER 74 14.049 -43.899 35.222 1.00 24.54 ATOM 1169 HB1 SER 74 14.229 -43.658 36.260 1.00 37.41 ATOM 1170 HB2 SER 74 14.672 -44.734 34.936 1.00 1.24 ATOM 1171 OG SER 74 12.689 -44.276 35.072 1.00 13.13 ATOM 1172 HG SER 74 12.625 -44.990 34.422 1.00 64.45 ATOM 1173 C SER 74 13.440 -41.525 34.687 1.00 40.51 ATOM 1174 O SER 74 12.380 -41.383 34.081 1.00 21.23 ATOM 1175 N GLU 75 13.829 -40.696 35.654 1.00 71.21 ATOM 1176 HN GLU 75 14.676 -40.867 36.114 1.00 37.41 ATOM 1177 CA GLU 75 13.030 -39.529 36.046 1.00 52.44 ATOM 1178 HA GLU 75 12.032 -39.879 36.275 1.00 43.34 ATOM 1179 CB GLU 75 13.627 -38.880 37.303 1.00 35.44 ATOM 1180 HB1 GLU 75 13.098 -37.959 37.506 1.00 37.41 ATOM 1181 HB2 GLU 75 14.668 -38.652 37.118 1.00 14.11 ATOM 1182 CG GLU 75 13.543 -39.763 38.544 1.00 2.24 ATOM 1183 HG1 GLU 75 13.964 -40.730 38.309 1.00 37.41 ATOM 1184 HG2 GLU 75 12.503 -39.884 38.816 1.00 73.52 ATOM 1185 CD GLU 75 14.287 -39.181 39.735 1.00 73.31 ATOM 1186 OE1 GLU 75 13.968 -38.049 40.146 1.00 40.12 ATOM 1187 OE2 GLU 75 15.200 -39.854 40.258 1.00 32.12 ATOM 1188 C GLU 75 12.941 -38.500 34.906 1.00 33.51 ATOM 1189 O GLU 75 11.849 -38.072 34.528 1.00 35.44 ATOM 1190 N CYS 76 14.093 -38.117 34.355 1.00 22.13 ATOM 1191 HN CYS 76 14.934 -38.473 34.714 1.00 37.41 ATOM 1192 CA CYS 76 14.138 -37.173 33.226 1.00 44.13 ATOM 1193 HA CYS 76 13.681 -36.248 33.550 1.00 14.22 ATOM 1194 CB CYS 76 15.591 -36.895 32.819 1.00 25.42 ATOM 1195 HB1 CYS 76 15.601 -36.176 32.012 1.00 37.41 ATOM 1196 HB2 CYS 76 16.046 -37.815 32.478 1.00 14.45 ATOM 1197 SG CYS 76 16.622 -36.240 34.154 1.00 64.24 ATOM 1198 HG CYS 76 16.901 -34.972 33.873 1.00 20.24 ATOM 1199 C CYS 76 13.354 -37.718 32.022 1.00 0.05 ATOM 1200 O CYS 76 12.547 -37.010 31.416 1.00 64.14 ATOM 1201 N LEU 77 13.590 -38.990 31.695 1.00 54.33 ATOM 1202 HN LEU 77 14.271 -39.491 32.195 1.00 37.41 ATOM 1203 CA LEU 77 12.866 -39.660 30.607 1.00 13.25 ATOM 1204 HA LEU 77 13.051 -39.103 29.698 1.00 4.44 ATOM 1205 CB LEU 77 13.378 -41.098 30.421 1.00 31.02 ATOM 1206 HB1 LEU 77 12.811 -41.558 29.623 1.00 37.41 ATOM 1207 HB2 LEU 77 13.184 -41.644 31.335 1.00 11.21 ATOM 1208 CG LEU 77 14.875 -41.236 30.089 1.00 33.14 ATOM 1209 HG LEU 77 15.454 -40.832 30.909 1.00 10.24 ATOM 1210 CD1 LEU 77 15.258 -42.706 29.930 1.00 41.23 ATOM 1211 HD11 LEU 77 14.700 -43.141 29.113 1.00 14.15 ATOM 1212 HD12 LEU 77 15.032 -43.239 30.843 1.00 10.13 ATOM 1213 HD13 LEU 77 16.316 -42.783 29.724 1.00 51.22 ATOM 1214 CD2 LEU 77 15.231 -40.445 28.830 1.00 75.55 ATOM 1215 HD21 LEU 77 16.286 -40.554 28.623 1.00 14.35 ATOM 1216 HD22 LEU 77 15.003 -39.401 28.982 1.00 22.12 ATOM 1217 HD23 LEU 77 14.660 -40.819 27.992 1.00 4.34 ATOM 1218 C LEU 77 11.351 -39.677 30.874 1.00 64.45 ATOM 1219 O LEU 77 10.547 -39.498 29.957 1.00 22.44 ATOM 1220 N SER 78 10.974 -39.892 32.135 1.00 15.52 ATOM 1221 HN SER 78 11.661 -40.070 32.812 1.00 37.41 ATOM 1222 CA SER 78 9.559 -39.879 32.541 1.00 14.42 ATOM 1223 HA SER 78 9.043 -40.637 31.966 1.00 72.22 ATOM 1224 CB SER 78 9.428 -40.214 34.034 1.00 74.34 ATOM 1225 HB1 SER 78 9.895 -39.433 34.619 1.00 37.41 ATOM 1226 HB2 SER 78 9.923 -41.153 34.233 1.00 33.21 ATOM 1227 OG SER 78 8.068 -40.329 34.433 1.00 34.13 ATOM 1228 HG SER 78 7.579 -39.533 34.169 1.00 44.31 ATOM 1229 C SER 78 8.916 -38.516 32.255 1.00 30.30 ATOM 1230 O SER 78 7.864 -38.441 31.624 1.00 31.42 ATOM 1231 N ASN 79 9.569 -37.441 32.708 1.00 30.35 ATOM 1232 HN ASN 79 10.393 -37.570 33.227 1.00 37.41 ATOM 1233 CA ASN 79 9.087 -36.072 32.465 1.00 44.50 ATOM 1234 HA ASN 79 8.154 -35.949 32.995 1.00 64.14 ATOM 1235 CB ASN 79 10.098 -35.045 32.993 1.00 65.44 ATOM 1236 HB1 ASN 79 9.713 -34.048 32.825 1.00 37.41 ATOM 1237 HB2 ASN 79 11.031 -35.159 32.459 1.00 51.52 ATOM 1238 CG ASN 79 10.374 -35.206 34.474 1.00 62.53 ATOM 1239 OD1 ASN 79 9.542 -35.700 35.220 1.00 15.02 ATOM 1240 ND2 ASN 79 11.545 -34.786 34.914 1.00 42.33 ATOM 1241 HD21 ASN 79 12.169 -34.397 34.269 1.00 52.44 ATOM 1242 HD22 ASN 79 11.734 -34.874 35.870 1.00 62.31 ATOM 1243 C ASN 79 8.841 -35.827 30.970 1.00 53.42 ATOM 1244 O ASN 79 7.789 -35.318 30.571 1.00 71.50 ATOM 1245 N ILE 80 9.816 -36.203 30.146 1.00 21.20 ATOM 1246 HN ILE 80 10.636 -36.592 30.524 1.00 37.41 ATOM 1247 CA ILE 80 9.697 -36.053 28.696 1.00 53.52 ATOM 1248 HA ILE 80 9.496 -35.009 28.490 1.00 2.42 ATOM 1249 CB ILE 80 11.011 -36.448 27.969 1.00 3.34 ATOM 1250 HB ILE 80 11.201 -37.494 28.164 1.00 24.25 ATOM 1251 CG1 ILE 80 12.193 -35.619 28.501 1.00 42.54 ATOM 1252 HG11 ILE 80 12.268 -35.757 29.570 1.00 37.41 ATOM 1253 HG12 ILE 80 12.016 -34.574 28.291 1.00 34.24 ATOM 1254 CG2 ILE 80 10.867 -36.270 26.455 1.00 33.03 ATOM 1255 HG21 ILE 80 10.066 -36.898 26.090 1.00 73.14 ATOM 1256 HG22 ILE 80 11.790 -36.549 25.968 1.00 44.35 ATOM 1257 HG23 ILE 80 10.642 -35.237 26.232 1.00 73.42 ATOM 1258 CD1 ILE 80 13.531 -35.991 27.890 1.00 20.53 ATOM 1259 HD11 ILE 80 14.306 -35.375 28.321 1.00 74.34 ATOM 1260 HD12 ILE 80 13.498 -35.831 26.822 1.00 43.11 ATOM 1261 HD13 ILE 80 13.743 -37.031 28.092 1.00 22.21 ATOM 1262 C ILE 80 8.537 -36.897 28.141 1.00 73.31 ATOM 1263 O ILE 80 7.775 -36.434 27.295 1.00 52.21 ATOM 1264 N ARG 81 8.391 -38.132 28.633 1.00 45.23 ATOM 1265 HN ARG 81 8.990 -38.437 29.350 1.00 37.41 ATOM 1266 CA ARG 81 7.348 -39.037 28.129 1.00 64.41 ATOM 1267 HA ARG 81 7.377 -38.971 27.049 1.00 51.31 ATOM 1268 CB ARG 81 7.635 -40.492 28.520 1.00 60.33 ATOM 1269 HB1 ARG 81 6.769 -41.096 28.282 1.00 37.41 ATOM 1270 HB2 ARG 81 7.813 -40.540 29.586 1.00 63.40 ATOM 1271 CG ARG 81 8.848 -41.082 27.800 1.00 12.23 ATOM 1272 HG1 ARG 81 9.742 -40.833 28.355 1.00 37.41 ATOM 1273 HG2 ARG 81 8.911 -40.655 26.809 1.00 44.22 ATOM 1274 CD ARG 81 8.751 -42.598 27.671 1.00 72.40 ATOM 1275 HD1 ARG 81 8.802 -43.037 28.658 1.00 37.41 ATOM 1276 HD2 ARG 81 9.582 -42.951 27.077 1.00 73.41 ATOM 1277 NE ARG 81 7.495 -43.003 27.032 1.00 11.35 ATOM 1278 HE ARG 81 6.787 -43.345 27.617 1.00 52.40 ATOM 1279 CZ ARG 81 7.250 -42.911 25.746 1.00 73.51 ATOM 1280 NH1 ARG 81 8.169 -42.510 24.919 1.00 10.44 ATOM 1281 HH11 ARG 81 9.078 -42.273 25.258 1.00 15.14 ATOM 1282 HH12 ARG 81 7.968 -42.439 23.944 1.00 21.24 ATOM 1283 NH2 ARG 81 6.083 -43.241 25.290 1.00 74.20 ATOM 1284 HH21 ARG 81 5.379 -43.566 25.915 1.00 15.33 ATOM 1285 HH22 ARG 81 5.888 -43.158 24.313 1.00 2.14 ATOM 1286 C ARG 81 5.938 -38.624 28.578 1.00 4.24 ATOM 1287 O ARG 81 4.965 -38.882 27.870 1.00 44.03 ATOM 1288 N GLU 82 5.820 -37.993 29.745 1.00 73.04 ATOM 1289 HN GLU 82 6.598 -37.930 30.339 1.00 37.41 ATOM 1290 CA GLU 82 4.541 -37.403 30.163 1.00 33.40 ATOM 1291 HA GLU 82 3.797 -38.189 30.136 1.00 13.02 ATOM 1292 CB GLU 82 4.629 -36.844 31.599 1.00 51.15 ATOM 1293 HB1 GLU 82 4.056 -35.929 31.655 1.00 37.41 ATOM 1294 HB2 GLU 82 5.662 -36.619 31.821 1.00 32.41 ATOM 1295 CG GLU 82 4.108 -37.795 32.681 1.00 63.12 ATOM 1296 HG1 GLU 82 3.099 -38.090 32.421 1.00 37.41 ATOM 1297 HG2 GLU 82 4.085 -37.263 33.620 1.00 41.44 ATOM 1298 CD GLU 82 4.950 -39.053 32.861 1.00 31.00 ATOM 1299 OE1 GLU 82 5.689 -39.144 33.860 1.00 54.12 ATOM 1300 OE2 GLU 82 4.842 -39.978 32.027 1.00 41.55 ATOM 1301 C GLU 82 4.116 -36.301 29.179 1.00 1.22 ATOM 1302 O GLU 82 2.942 -36.188 28.814 1.00 21.01 ATOM 1303 N PHE 83 5.090 -35.499 28.751 1.00 13.51 ATOM 1304 HN PHE 83 5.981 -35.582 29.156 1.00 37.41 ATOM 1305 CA PHE 83 4.880 -34.491 27.705 1.00 64.04 ATOM 1306 HA PHE 83 4.075 -33.842 28.024 1.00 32.52 ATOM 1307 CB PHE 83 6.162 -33.658 27.537 1.00 11.33 ATOM 1308 HB1 PHE 83 6.993 -34.329 27.363 1.00 37.41 ATOM 1309 HB2 PHE 83 6.345 -33.109 28.451 1.00 10.33 ATOM 1310 CG PHE 83 6.121 -32.659 26.402 1.00 15.22 ATOM 1311 CD1 PHE 83 6.768 -32.923 25.199 1.00 55.13 ATOM 1312 HD1 PHE 83 7.302 -33.855 25.077 1.00 3.50 ATOM 1313 CD2 PHE 83 5.442 -31.457 26.540 1.00 70.40 ATOM 1314 HD2 PHE 83 4.934 -31.240 27.468 1.00 60.51 ATOM 1315 CE1 PHE 83 6.737 -32.008 24.163 1.00 35.11 ATOM 1316 HE1 PHE 83 7.244 -32.227 23.234 1.00 21.44 ATOM 1317 CE2 PHE 83 5.408 -30.540 25.506 1.00 25.13 ATOM 1318 HE2 PHE 83 4.877 -29.608 25.628 1.00 15.24 ATOM 1319 CZ PHE 83 6.057 -30.816 24.317 1.00 30.22 ATOM 1320 HZ PHE 83 6.031 -30.099 23.509 1.00 11.24 ATOM 1321 C PHE 83 4.490 -35.157 26.370 1.00 15.14 ATOM 1322 O PHE 83 3.506 -34.775 25.731 1.00 11.21 ATOM 1323 N LEU 84 5.267 -36.165 25.969 1.00 1.15 ATOM 1324 HN LEU 84 6.041 -36.409 26.520 1.00 37.41 ATOM 1325 CA LEU 84 5.013 -36.914 24.730 1.00 72.14 ATOM 1326 HA LEU 84 5.072 -36.216 23.906 1.00 75.32 ATOM 1327 CB LEU 84 6.084 -37.997 24.538 1.00 41.43 ATOM 1328 HB1 LEU 84 5.823 -38.585 23.668 1.00 37.41 ATOM 1329 HB2 LEU 84 6.066 -38.646 25.405 1.00 42.54 ATOM 1330 CG LEU 84 7.521 -37.478 24.354 1.00 60.32 ATOM 1331 HG LEU 84 7.783 -36.864 25.204 1.00 54.14 ATOM 1332 CD1 LEU 84 8.513 -38.637 24.297 1.00 14.30 ATOM 1333 HD11 LEU 84 9.515 -38.249 24.194 1.00 41.53 ATOM 1334 HD12 LEU 84 8.284 -39.270 23.449 1.00 55.25 ATOM 1335 HD13 LEU 84 8.444 -39.217 25.207 1.00 11.43 ATOM 1336 CD2 LEU 84 7.625 -36.613 23.098 1.00 71.20 ATOM 1337 HD21 LEU 84 8.639 -36.254 22.991 1.00 12.52 ATOM 1338 HD22 LEU 84 6.955 -35.770 23.182 1.00 71.41 ATOM 1339 HD23 LEU 84 7.359 -37.199 22.229 1.00 51.41 ATOM 1340 C LEU 84 3.619 -37.561 24.731 1.00 12.52 ATOM 1341 O LEU 84 2.930 -37.577 23.711 1.00 30.35 ATOM 1342 N ARG 85 3.217 -38.091 25.882 1.00 43.52 ATOM 1343 HN ARG 85 3.808 -38.034 26.662 1.00 37.41 ATOM 1344 CA ARG 85 1.921 -38.761 26.021 1.00 32.34 ATOM 1345 HA ARG 85 1.838 -39.490 25.227 1.00 41.12 ATOM 1346 CB ARG 85 1.848 -39.487 27.372 1.00 34.41 ATOM 1347 HB1 ARG 85 1.768 -38.750 28.160 1.00 37.41 ATOM 1348 HB2 ARG 85 2.761 -40.050 27.515 1.00 70.42 ATOM 1349 CG ARG 85 0.670 -40.451 27.499 1.00 72.20 ATOM 1350 HG1 ARG 85 0.735 -41.189 26.711 1.00 37.41 ATOM 1351 HG2 ARG 85 -0.251 -39.895 27.396 1.00 0.31 ATOM 1352 CD ARG 85 0.671 -41.165 28.848 1.00 1.42 ATOM 1353 HD1 ARG 85 -0.095 -41.929 28.839 1.00 37.41 ATOM 1354 HD2 ARG 85 0.449 -40.447 29.625 1.00 63.33 ATOM 1355 NE ARG 85 1.964 -41.795 29.125 1.00 70.54 ATOM 1356 HE ARG 85 2.217 -42.569 28.582 1.00 44.40 ATOM 1357 CZ ARG 85 2.803 -41.375 30.033 1.00 43.34 ATOM 1358 NH1 ARG 85 2.505 -40.363 30.782 1.00 71.41 ATOM 1359 HH11 ARG 85 1.633 -39.902 30.675 1.00 45.00 ATOM 1360 HH12 ARG 85 3.166 -40.041 31.458 1.00 42.00 ATOM 1361 NH2 ARG 85 3.942 -41.962 30.192 1.00 72.25 ATOM 1362 HH21 ARG 85 4.187 -42.743 29.618 1.00 42.34 ATOM 1363 HH22 ARG 85 4.581 -41.625 30.884 1.00 44.21 ATOM 1364 C ARG 85 0.765 -37.760 25.901 1.00 61.30 ATOM 1365 O ARG 85 -0.170 -37.965 25.127 1.00 23.02 ATOM 1366 N GLY 86 0.840 -36.675 26.672 1.00 43.54 ATOM 1367 HN GLY 86 1.605 -36.573 27.279 1.00 37.41 ATOM 1368 CA GLY 86 -0.188 -35.641 26.625 1.00 32.45 ATOM 1369 HA1 GLY 86 0.071 -34.863 27.327 1.00 37.41 ATOM 1370 HA2 GLY 86 -1.133 -36.074 26.922 1.00 2.43 ATOM 1371 C GLY 86 -0.343 -35.022 25.239 1.00 74.44 ATOM 1372 O GLY 86 -1.439 -35.019 24.665 1.00 63.02 ATOM 1373 N CYS 87 0.755 -34.499 24.696 1.00 13.21 ATOM 1374 HN CYS 87 1.589 -34.487 25.217 1.00 37.41 ATOM 1375 CA CYS 87 0.751 -33.933 23.343 1.00 34.22 ATOM 1376 HA CYS 87 0.015 -33.142 23.320 1.00 44.01 ATOM 1377 CB CYS 87 2.124 -33.341 23.006 1.00 53.22 ATOM 1378 HB1 CYS 87 2.117 -32.983 21.987 1.00 37.41 ATOM 1379 HB2 CYS 87 2.876 -34.109 23.107 1.00 34.43 ATOM 1380 SG CYS 87 2.611 -31.961 24.066 1.00 15.14 ATOM 1381 HG CYS 87 3.772 -31.500 23.625 1.00 5.44 ATOM 1382 C CYS 87 0.372 -34.992 22.299 1.00 0.04 ATOM 1383 O CYS 87 -0.408 -34.725 21.392 1.00 3.31 ATOM 1384 N GLY 88 0.928 -36.191 22.440 1.00 60.03 ATOM 1385 HN GLY 88 1.553 -36.339 23.181 1.00 37.41 ATOM 1386 CA GLY 88 0.638 -37.283 21.512 1.00 4.22 ATOM 1387 HA1 GLY 88 1.267 -38.125 21.767 1.00 37.41 ATOM 1388 HA2 GLY 88 0.884 -36.962 20.512 1.00 44.42 ATOM 1389 C GLY 88 -0.822 -37.739 21.532 1.00 42.01 ATOM 1390 O GLY 88 -1.348 -38.182 20.514 1.00 34.31 ATOM 1391 N ALA 89 -1.474 -37.638 22.689 1.00 73.22 ATOM 1392 HN ALA 89 -0.996 -37.294 23.474 1.00 37.41 ATOM 1393 CA ALA 89 -2.878 -38.055 22.830 1.00 73.12 ATOM 1394 HA ALA 89 -3.019 -38.949 22.234 1.00 55.53 ATOM 1395 CB ALA 89 -3.174 -38.412 24.285 1.00 1.44 ATOM 1396 HB1 ALA 89 -2.478 -39.168 24.620 1.00 55.34 ATOM 1397 HB2 ALA 89 -4.181 -38.794 24.366 1.00 50.44 ATOM 1398 HB3 ALA 89 -3.072 -37.530 24.903 1.00 60.22 ATOM 1399 C ALA 89 -3.860 -36.976 22.341 1.00 74.15 ATOM 1400 O ALA 89 -4.683 -37.220 21.457 1.00 41.22 ATOM 1401 N SER 90 -3.769 -35.783 22.925 1.00 51.31 ATOM 1402 HN SER 90 -3.056 -35.630 23.583 1.00 37.41 ATOM 1403 CA SER 90 -4.711 -34.694 22.622 1.00 42.21 ATOM 1404 HA SER 90 -5.701 -35.127 22.555 1.00 32.42 ATOM 1405 CB SER 90 -4.705 -33.661 23.761 1.00 61.40 ATOM 1406 HB1 SER 90 -3.722 -33.217 23.838 1.00 37.41 ATOM 1407 HB2 SER 90 -4.947 -34.154 24.692 1.00 2.12 ATOM 1408 OG SER 90 -5.656 -32.630 23.538 1.00 5.24 ATOM 1409 HG SER 90 -6.098 -32.420 24.370 1.00 50.51 ATOM 1410 C SER 90 -4.389 -34.005 21.286 1.00 24.41 ATOM 1411 O SER 90 -5.290 -33.620 20.537 1.00 73.22 ATOM 1412 N LEU 91 -3.102 -33.846 20.986 1.00 42.25 ATOM 1413 HN LEU 91 -2.425 -34.193 21.603 1.00 37.41 ATOM 1414 CA LEU 91 -2.670 -33.155 19.762 1.00 43.13 ATOM 1415 HA LEU 91 -3.510 -32.586 19.391 1.00 32.43 ATOM 1416 CB LEU 91 -1.535 -32.180 20.107 1.00 64.24 ATOM 1417 HB1 LEU 91 -1.090 -31.833 19.184 1.00 37.41 ATOM 1418 HB2 LEU 91 -0.782 -32.721 20.666 1.00 24.45 ATOM 1419 CG LEU 91 -1.959 -30.949 20.930 1.00 30.45 ATOM 1420 HG LEU 91 -2.664 -31.254 21.690 1.00 3.32 ATOM 1421 CD1 LEU 91 -0.757 -30.319 21.630 1.00 30.21 ATOM 1422 HD11 LEU 91 -0.030 -30.008 20.893 1.00 71.34 ATOM 1423 HD12 LEU 91 -0.306 -31.041 22.295 1.00 12.10 ATOM 1424 HD13 LEU 91 -1.079 -29.459 22.201 1.00 2.43 ATOM 1425 CD2 LEU 91 -2.647 -29.924 20.028 1.00 70.14 ATOM 1426 HD21 LEU 91 -1.960 -29.606 19.253 1.00 62.35 ATOM 1427 HD22 LEU 91 -2.948 -29.069 20.615 1.00 72.34 ATOM 1428 HD23 LEU 91 -3.518 -30.372 19.572 1.00 51.40 ATOM 1429 C LEU 91 -2.222 -34.133 18.658 1.00 32.31 ATOM 1430 O LEU 91 -2.483 -33.901 17.478 1.00 61.31 ATOM 1431 N ARG 92 -1.559 -35.224 19.048 1.00 74.44 ATOM 1432 HN ARG 92 -1.430 -35.379 20.004 1.00 37.41 ATOM 1433 CA ARG 92 -1.036 -36.220 18.093 1.00 44.23 ATOM 1434 HA ARG 92 -0.442 -36.925 18.657 1.00 72.32 ATOM 1435 CB ARG 92 -2.211 -36.971 17.443 1.00 73.10 ATOM 1436 HB1 ARG 92 -2.722 -36.297 16.769 1.00 37.41 ATOM 1437 HB2 ARG 92 -2.899 -37.271 18.221 1.00 41.31 ATOM 1438 CG ARG 92 -1.812 -38.219 16.657 1.00 11.05 ATOM 1439 HG1 ARG 92 -1.095 -38.787 17.233 1.00 37.41 ATOM 1440 HG2 ARG 92 -1.363 -37.915 15.722 1.00 71.23 ATOM 1441 CD ARG 92 -3.023 -39.101 16.364 1.00 42.10 ATOM 1442 HD1 ARG 92 -2.706 -39.937 15.756 1.00 37.41 ATOM 1443 HD2 ARG 92 -3.757 -38.521 15.821 1.00 21.01 ATOM 1444 NE ARG 92 -3.628 -39.614 17.597 1.00 31.31 ATOM 1445 HE ARG 92 -3.145 -40.320 18.072 1.00 72.01 ATOM 1446 CZ ARG 92 -4.756 -39.188 18.105 1.00 35.20 ATOM 1447 NH1 ARG 92 -5.429 -38.246 17.524 1.00 52.31 ATOM 1448 HH11 ARG 92 -5.088 -37.836 16.681 1.00 25.14 ATOM 1449 HH12 ARG 92 -6.287 -37.924 17.923 1.00 31.21 ATOM 1450 NH2 ARG 92 -5.196 -39.696 19.211 1.00 73.34 ATOM 1451 HH21 ARG 92 -4.675 -40.410 19.675 1.00 50.00 ATOM 1452 HH22 ARG 92 -6.054 -39.369 19.604 1.00 60.44 ATOM 1453 C ARG 92 -0.128 -35.557 17.034 1.00 1.10 ATOM 1454 O ARG 92 -0.011 -36.018 15.896 1.00 41.34 ATOM 1455 N LEU 93 0.543 -34.485 17.446 1.00 30.22 ATOM 1456 HN LEU 93 0.456 -34.214 18.381 1.00 37.41 ATOM 1457 CA LEU 93 1.407 -33.695 16.557 1.00 23.43 ATOM 1458 HA LEU 93 0.887 -33.577 15.616 1.00 72.32 ATOM 1459 CB LEU 93 1.623 -32.297 17.176 1.00 53.13 ATOM 1460 HB1 LEU 93 0.701 -31.742 17.074 1.00 37.41 ATOM 1461 HB2 LEU 93 2.387 -31.789 16.605 1.00 11.44 ATOM 1462 CG LEU 93 2.036 -32.267 18.668 1.00 55.14 ATOM 1463 HG LEU 93 1.400 -32.946 19.216 1.00 73.51 ATOM 1464 CD1 LEU 93 3.478 -32.724 18.877 1.00 73.34 ATOM 1465 HD11 LEU 93 3.592 -33.734 18.515 1.00 54.35 ATOM 1466 HD12 LEU 93 3.715 -32.693 19.931 1.00 4.45 ATOM 1467 HD13 LEU 93 4.148 -32.069 18.338 1.00 60.44 ATOM 1468 CD2 LEU 93 1.834 -30.876 19.255 1.00 13.13 ATOM 1469 HD21 LEU 93 2.118 -30.883 20.298 1.00 62.43 ATOM 1470 HD22 LEU 93 0.794 -30.598 19.171 1.00 62.25 ATOM 1471 HD23 LEU 93 2.443 -30.160 18.720 1.00 33.34 ATOM 1472 C LEU 93 2.755 -34.389 16.283 1.00 73.02 ATOM 1473 O LEU 93 2.969 -35.540 16.671 1.00 64.23 ATOM 1474 N GLU 94 3.652 -33.681 15.594 1.00 12.12 ATOM 1475 HN GLU 94 3.386 -32.814 15.226 1.00 37.41 ATOM 1476 CA GLU 94 5.021 -34.163 15.351 1.00 32.40 ATOM 1477 HA GLU 94 4.955 -35.095 14.808 1.00 63.31 ATOM 1478 CB GLU 94 5.793 -33.141 14.502 1.00 63.34 ATOM 1479 HB1 GLU 94 6.769 -33.546 14.270 1.00 37.41 ATOM 1480 HB2 GLU 94 5.922 -32.237 15.081 1.00 13.23 ATOM 1481 CG GLU 94 5.105 -32.769 13.189 1.00 15.50 ATOM 1482 HG1 GLU 94 5.639 -31.939 12.745 1.00 37.41 ATOM 1483 HG2 GLU 94 4.092 -32.462 13.404 1.00 2.30 ATOM 1484 CD GLU 94 5.061 -33.912 12.187 1.00 12.04 ATOM 1485 OE1 GLU 94 4.171 -34.783 12.299 1.00 50.43 ATOM 1486 OE2 GLU 94 5.914 -33.936 11.273 1.00 12.33 ATOM 1487 C GLU 94 5.762 -34.409 16.677 1.00 62.41 ATOM 1488 O GLU 94 6.164 -33.467 17.356 1.00 13.02 ATOM 1489 N THR 95 5.922 -35.677 17.049 1.00 60.21 ATOM 1490 HN THR 95 5.615 -36.388 16.448 1.00 37.41 ATOM 1491 CA THR 95 6.532 -36.042 18.340 1.00 22.12 ATOM 1492 HA THR 95 6.528 -35.161 18.970 1.00 40.24 ATOM 1493 CB THR 95 5.699 -37.137 19.054 1.00 31.30 ATOM 1494 HB THR 95 6.258 -37.490 19.911 1.00 13.33 ATOM 1495 OG1 THR 95 5.470 -38.246 18.166 1.00 42.24 ATOM 1496 HG1 THR 95 4.518 -38.388 18.068 1.00 11.34 ATOM 1497 CG2 THR 95 4.365 -36.581 19.543 1.00 53.11 ATOM 1498 HG21 THR 95 4.543 -35.764 20.226 1.00 72.05 ATOM 1499 HG22 THR 95 3.813 -37.359 20.052 1.00 34.04 ATOM 1500 HG23 THR 95 3.789 -36.226 18.700 1.00 35.21 ATOM 1501 C THR 95 7.984 -36.534 18.206 1.00 74.22 ATOM 1502 O THR 95 8.585 -36.488 17.128 1.00 33.21 ATOM 1503 N PHE 96 8.544 -36.990 19.328 1.00 32.12 ATOM 1504 HN PHE 96 8.016 -36.980 20.153 1.00 37.41 ATOM 1505 CA PHE 96 9.917 -37.508 19.380 1.00 50.11 ATOM 1506 HA PHE 96 10.123 -38.002 18.437 1.00 31.13 ATOM 1507 CB PHE 96 10.921 -36.353 19.565 1.00 44.54 ATOM 1508 HB1 PHE 96 10.837 -35.679 18.723 1.00 37.41 ATOM 1509 HB2 PHE 96 11.923 -36.760 19.586 1.00 70.35 ATOM 1510 CG PHE 96 10.721 -35.545 20.829 1.00 11.13 ATOM 1511 CD1 PHE 96 9.808 -34.499 20.867 1.00 63.42 ATOM 1512 HD1 PHE 96 9.229 -34.268 19.985 1.00 3.14 ATOM 1513 CD2 PHE 96 11.453 -35.825 21.975 1.00 13.21 ATOM 1514 HD2 PHE 96 12.170 -36.635 21.962 1.00 72.11 ATOM 1515 CE1 PHE 96 9.630 -33.755 22.018 1.00 12.04 ATOM 1516 HE1 PHE 96 8.916 -32.944 22.033 1.00 12.52 ATOM 1517 CE2 PHE 96 11.276 -35.084 23.129 1.00 51.11 ATOM 1518 HE2 PHE 96 11.850 -35.316 24.014 1.00 1.03 ATOM 1519 CZ PHE 96 10.363 -34.049 23.150 1.00 14.13 ATOM 1520 HZ PHE 96 10.226 -33.470 24.051 1.00 42.55 ATOM 1521 C PHE 96 10.067 -38.540 20.513 1.00 73.20 ATOM 1522 O PHE 96 9.102 -38.850 21.215 1.00 34.10 ATOM 1523 N ASP 97 11.267 -39.089 20.668 1.00 14.31 ATOM 1524 HN ASP 97 11.983 -38.853 20.044 1.00 37.41 ATOM 1525 CA ASP 97 11.557 -40.032 21.752 1.00 40.04 ATOM 1526 HA ASP 97 10.615 -40.374 22.161 1.00 65.24 ATOM 1527 CB ASP 97 12.326 -41.237 21.194 1.00 31.23 ATOM 1528 HB1 ASP 97 13.259 -40.894 20.767 1.00 37.41 ATOM 1529 HB2 ASP 97 11.735 -41.706 20.419 1.00 2.13 ATOM 1530 CG ASP 97 12.632 -42.272 22.259 1.00 12.12 ATOM 1531 OD1 ASP 97 11.772 -43.138 22.526 1.00 11.30 ATOM 1532 OD2 ASP 97 13.727 -42.220 22.848 1.00 53.43 ATOM 1533 C ASP 97 12.358 -39.341 22.871 1.00 2.23 ATOM 1534 O ASP 97 13.125 -38.415 22.612 1.00 4.00 ATOM 1535 N ALA 98 12.184 -39.800 24.110 1.00 53.00 ATOM 1536 HN ALA 98 11.599 -40.575 24.253 1.00 37.41 ATOM 1537 CA ALA 98 12.844 -39.183 25.270 1.00 2.41 ATOM 1538 HA ALA 98 12.468 -38.173 25.360 1.00 2.22 ATOM 1539 CB ALA 98 12.470 -39.934 26.543 1.00 20.24 ATOM 1540 HB1 ALA 98 12.891 -39.425 27.398 1.00 52.44 ATOM 1541 HB2 ALA 98 12.861 -40.940 26.497 1.00 3.14 ATOM 1542 HB3 ALA 98 11.395 -39.970 26.640 1.00 73.04 ATOM 1543 C ALA 98 14.375 -39.123 25.114 1.00 25.21 ATOM 1544 O ALA 98 15.021 -38.177 25.570 1.00 35.45 ATOM 1545 N ASN 99 14.950 -40.127 24.456 1.00 62.22 ATOM 1546 HN ASN 99 14.385 -40.838 24.083 1.00 37.41 ATOM 1547 CA ASN 99 16.402 -40.195 24.263 1.00 73.15 ATOM 1548 HA ASN 99 16.864 -39.929 25.205 1.00 13.43 ATOM 1549 CB ASN 99 16.823 -41.623 23.898 1.00 34.43 ATOM 1550 HB1 ASN 99 17.885 -41.641 23.696 1.00 37.41 ATOM 1551 HB2 ASN 99 16.290 -41.936 23.012 1.00 10.41 ATOM 1552 CG ASN 99 16.529 -42.610 25.014 1.00 52.32 ATOM 1553 OD1 ASN 99 17.346 -42.826 25.902 1.00 2.42 ATOM 1554 ND2 ASN 99 15.362 -43.221 24.979 1.00 51.20 ATOM 1555 HD21 ASN 99 14.751 -43.010 24.241 1.00 4.41 ATOM 1556 HD22 ASN 99 15.156 -43.861 25.687 1.00 40.20 ATOM 1557 C ASN 99 16.887 -39.201 23.192 1.00 24.50 ATOM 1558 O ASN 99 18.040 -38.760 23.228 1.00 52.33 ATOM 1559 N ASP 100 16.010 -38.838 22.249 1.00 64.11 ATOM 1560 HN ASP 100 15.123 -39.257 22.235 1.00 37.41 ATOM 1561 CA ASP 100 16.345 -37.825 21.234 1.00 62.43 ATOM 1562 HA ASP 100 17.149 -38.219 20.628 1.00 25.22 ATOM 1563 CB ASP 100 15.135 -37.518 20.330 1.00 41.44 ATOM 1564 HB1 ASP 100 15.375 -36.671 19.702 1.00 37.41 ATOM 1565 HB2 ASP 100 14.290 -37.261 20.954 1.00 23.01 ATOM 1566 CG ASP 100 14.727 -38.675 19.431 1.00 40.13 ATOM 1567 OD1 ASP 100 15.559 -39.572 19.180 1.00 1.34 ATOM 1568 OD2 ASP 100 13.575 -38.672 18.939 1.00 42.41 ATOM 1569 C ASP 100 16.818 -36.522 21.898 1.00 71.32 ATOM 1570 O ASP 100 17.795 -35.907 21.471 1.00 51.42 ATOM 1571 N LEU 101 16.112 -36.123 22.953 1.00 21.03 ATOM 1572 HN LEU 101 15.361 -36.678 23.252 1.00 37.41 ATOM 1573 CA LEU 101 16.409 -34.883 23.675 1.00 62.34 ATOM 1574 HA LEU 101 16.836 -34.184 22.970 1.00 33.23 ATOM 1575 CB LEU 101 15.103 -34.292 24.222 1.00 15.21 ATOM 1576 HB1 LEU 101 14.622 -35.046 24.827 1.00 37.41 ATOM 1577 HB2 LEU 101 14.458 -34.068 23.382 1.00 51.14 ATOM 1578 CG LEU 101 15.248 -33.018 25.070 1.00 44.24 ATOM 1579 HG LEU 101 15.881 -33.233 25.918 1.00 14.34 ATOM 1580 CD1 LEU 101 15.908 -31.891 24.273 1.00 30.32 ATOM 1581 HD11 LEU 101 15.335 -31.694 23.380 1.00 54.00 ATOM 1582 HD12 LEU 101 16.913 -32.182 23.999 1.00 2.22 ATOM 1583 HD13 LEU 101 15.949 -30.997 24.879 1.00 62.05 ATOM 1584 CD2 LEU 101 13.886 -32.584 25.606 1.00 11.21 ATOM 1585 HD21 LEU 101 14.000 -31.688 26.198 1.00 2.53 ATOM 1586 HD22 LEU 101 13.474 -33.371 26.223 1.00 71.15 ATOM 1587 HD23 LEU 101 13.216 -32.386 24.781 1.00 15.51 ATOM 1588 C LEU 101 17.411 -35.100 24.825 1.00 71.40 ATOM 1589 O LEU 101 18.426 -34.406 24.913 1.00 43.34 ATOM 1590 N TYR 102 17.128 -36.071 25.696 1.00 72.41 ATOM 1591 HN TYR 102 16.338 -36.632 25.542 1.00 37.41 ATOM 1592 CA TYR 102 17.958 -36.316 26.886 1.00 42.13 ATOM 1593 HA TYR 102 18.017 -35.385 27.435 1.00 34.33 ATOM 1594 CB TYR 102 17.296 -37.370 27.786 1.00 72.43 ATOM 1595 HB1 TYR 102 17.211 -38.299 27.237 1.00 37.41 ATOM 1596 HB2 TYR 102 16.306 -37.032 28.058 1.00 32.52 ATOM 1597 CG TYR 102 18.062 -37.650 29.068 1.00 12.35 ATOM 1598 CD1 TYR 102 18.150 -36.693 30.076 1.00 24.41 ATOM 1599 HD1 TYR 102 17.664 -35.737 29.937 1.00 52.41 ATOM 1600 CD2 TYR 102 18.698 -38.869 29.271 1.00 3.51 ATOM 1601 HD2 TYR 102 18.641 -39.627 28.501 1.00 45.40 ATOM 1602 CE1 TYR 102 18.850 -36.945 31.245 1.00 61.00 ATOM 1603 HE1 TYR 102 18.905 -36.190 32.014 1.00 62.12 ATOM 1604 CE2 TYR 102 19.398 -39.126 30.434 1.00 52.21 ATOM 1605 HE2 TYR 102 19.886 -40.081 30.567 1.00 15.24 ATOM 1606 CZ TYR 102 19.473 -38.164 31.418 1.00 5.51 ATOM 1607 OH TYR 102 20.168 -38.427 32.581 1.00 11.42 ATOM 1608 HH TYR 102 20.960 -38.939 32.369 1.00 34.35 ATOM 1609 C TYR 102 19.387 -36.752 26.521 1.00 2.24 ATOM 1610 O TYR 102 20.356 -36.294 27.125 1.00 41.53 ATOM 1611 N GLN 103 19.515 -37.637 25.536 1.00 1.42 ATOM 1612 HN GLN 103 18.710 -37.981 25.095 1.00 37.41 ATOM 1613 CA GLN 103 20.832 -38.113 25.093 1.00 45.34 ATOM 1614 HA GLN 103 21.517 -38.010 25.924 1.00 32.43 ATOM 1615 CB GLN 103 20.745 -39.596 24.702 1.00 62.22 ATOM 1616 HB1 GLN 103 21.700 -39.906 24.301 1.00 37.41 ATOM 1617 HB2 GLN 103 19.992 -39.709 23.935 1.00 52.22 ATOM 1618 CG GLN 103 20.388 -40.527 25.863 1.00 64.42 ATOM 1619 HG1 GLN 103 20.276 -41.531 25.479 1.00 37.41 ATOM 1620 HG2 GLN 103 19.451 -40.204 26.296 1.00 74.55 ATOM 1621 CD GLN 103 21.449 -40.540 26.953 1.00 31.33 ATOM 1622 OE1 GLN 103 22.632 -40.341 26.692 1.00 41.32 ATOM 1623 NE2 GLN 103 21.041 -40.785 28.181 1.00 13.25 ATOM 1624 HE21 GLN 103 20.088 -40.942 28.333 1.00 41.42 ATOM 1625 HE22 GLN 103 21.715 -40.805 28.891 1.00 73.41 ATOM 1626 C GLN 103 21.368 -37.277 23.916 1.00 62.32 ATOM 1627 O GLN 103 22.418 -37.584 23.344 1.00 60.11 ATOM 1628 N GLY 104 20.637 -36.216 23.565 1.00 73.10 ATOM 1629 HN GLY 104 19.818 -36.020 24.064 1.00 37.41 ATOM 1630 CA GLY 104 21.041 -35.332 22.476 1.00 21.21 ATOM 1631 HA1 GLY 104 21.981 -34.867 22.740 1.00 37.41 ATOM 1632 HA2 GLY 104 20.294 -34.559 22.368 1.00 4.53 ATOM 1633 C GLY 104 21.203 -36.039 21.128 1.00 50.23 ATOM 1634 O GLY 104 21.956 -35.575 20.268 1.00 33.20 ATOM 1635 N GLN 105 20.490 -37.153 20.935 1.00 20.23 ATOM 1636 HN GLN 105 19.884 -37.457 21.643 1.00 37.41 ATOM 1637 CA GLN 105 20.587 -37.929 19.691 1.00 3.11 ATOM 1638 HA GLN 105 21.637 -38.099 19.493 1.00 43.32 ATOM 1639 CB GLN 105 19.885 -39.291 19.837 1.00 72.55 ATOM 1640 HB1 GLN 105 19.992 -39.838 18.910 1.00 37.41 ATOM 1641 HB2 GLN 105 18.833 -39.121 20.022 1.00 53.40 ATOM 1642 CG GLN 105 20.431 -40.158 20.967 1.00 75.42 ATOM 1643 HG1 GLN 105 20.185 -39.695 21.913 1.00 37.41 ATOM 1644 HG2 GLN 105 21.506 -40.224 20.869 1.00 3.23 ATOM 1645 CD GLN 105 19.856 -41.563 20.949 1.00 74.11 ATOM 1646 OE1 GLN 105 18.818 -41.836 21.541 1.00 52.24 ATOM 1647 NE2 GLN 105 20.526 -42.464 20.263 1.00 11.15 ATOM 1648 HE21 GLN 105 21.348 -42.182 19.810 1.00 14.20 ATOM 1649 HE22 GLN 105 20.176 -43.376 20.237 1.00 63.03 ATOM 1650 C GLN 105 19.986 -37.161 18.503 1.00 3.24 ATOM 1651 O GLN 105 20.711 -36.640 17.653 1.00 45.14 ATOM 1652 N ASN 106 18.660 -37.085 18.462 1.00 43.14 ATOM 1653 HN ASN 106 18.141 -37.495 19.184 1.00 37.41 ATOM 1654 CA ASN 106 17.948 -36.408 17.374 1.00 73.12 ATOM 1655 HA ASN 106 18.672 -36.116 16.625 1.00 24.34 ATOM 1656 CB ASN 106 16.935 -37.368 16.739 1.00 65.13 ATOM 1657 HB1 ASN 106 16.397 -36.849 15.958 1.00 37.41 ATOM 1658 HB2 ASN 106 16.235 -37.693 17.495 1.00 43.12 ATOM 1659 CG ASN 106 17.590 -38.594 16.133 1.00 63.54 ATOM 1660 OD1 ASN 106 18.690 -38.528 15.597 1.00 51.02 ATOM 1661 ND2 ASN 106 16.929 -39.729 16.226 1.00 64.34 ATOM 1662 HD21 ASN 106 16.061 -39.724 16.679 1.00 22.51 ATOM 1663 HD22 ASN 106 17.336 -40.529 15.841 1.00 41.33 ATOM 1664 C ASN 106 17.229 -35.151 17.881 1.00 63.04 ATOM 1665 O ASN 106 16.000 -35.124 17.985 1.00 23.11 ATOM 1666 N PHE 107 17.997 -34.112 18.209 1.00 74.23 ATOM 1667 HN PHE 107 18.971 -34.192 18.130 1.00 37.41 ATOM 1668 CA PHE 107 17.412 -32.855 18.688 1.00 1.35 ATOM 1669 HA PHE 107 16.777 -33.095 19.532 1.00 53.12 ATOM 1670 CB PHE 107 18.502 -31.879 19.158 1.00 31.12 ATOM 1671 HB1 PHE 107 19.171 -31.670 18.335 1.00 37.41 ATOM 1672 HB2 PHE 107 19.063 -32.333 19.963 1.00 41.33 ATOM 1673 CG PHE 107 17.950 -30.565 19.659 1.00 45.34 ATOM 1674 CD1 PHE 107 17.309 -30.492 20.889 1.00 23.11 ATOM 1675 HD1 PHE 107 17.216 -31.382 21.494 1.00 23.52 ATOM 1676 CD2 PHE 107 18.060 -29.410 18.897 1.00 64.43 ATOM 1677 HD2 PHE 107 18.555 -29.451 17.939 1.00 25.43 ATOM 1678 CE1 PHE 107 16.793 -29.294 21.345 1.00 31.34 ATOM 1679 HE1 PHE 107 16.296 -29.249 22.303 1.00 2.42 ATOM 1680 CE2 PHE 107 17.546 -28.212 19.352 1.00 13.53 ATOM 1681 HE2 PHE 107 17.640 -27.320 18.749 1.00 32.13 ATOM 1682 CZ PHE 107 16.912 -28.154 20.575 1.00 14.45 ATOM 1683 HZ PHE 107 16.508 -27.217 20.931 1.00 61.13 ATOM 1684 C PHE 107 16.546 -32.203 17.602 1.00 31.21 ATOM 1685 O PHE 107 15.575 -31.515 17.906 1.00 33.25 ATOM 1686 N ASN 108 16.902 -32.426 16.340 1.00 21.12 ATOM 1687 HN ASN 108 17.728 -32.926 16.164 1.00 37.41 ATOM 1688 CA ASN 108 16.110 -31.932 15.207 1.00 53.20 ATOM 1689 HA ASN 108 16.163 -30.853 15.227 1.00 72.14 ATOM 1690 CB ASN 108 16.716 -32.424 13.882 1.00 74.34 ATOM 1691 HB1 ASN 108 17.624 -31.870 13.687 1.00 37.41 ATOM 1692 HB2 ASN 108 16.014 -32.241 13.082 1.00 24.35 ATOM 1693 CG ASN 108 17.053 -33.911 13.888 1.00 21.31 ATOM 1694 OD1 ASN 108 16.420 -34.708 14.569 1.00 72.33 ATOM 1695 ND2 ASN 108 18.062 -34.294 13.134 1.00 12.03 ATOM 1696 HD21 ASN 108 18.536 -33.616 12.613 1.00 13.23 ATOM 1697 HD22 ASN 108 18.296 -35.247 13.128 1.00 21.45 ATOM 1698 C ASN 108 14.625 -32.339 15.316 1.00 52.44 ATOM 1699 O ASN 108 13.731 -31.534 15.046 1.00 43.02 ATOM 1700 N LYS 109 14.372 -33.582 15.732 1.00 0.34 ATOM 1701 HN LYS 109 15.127 -34.185 15.905 1.00 37.41 ATOM 1702 CA LYS 109 13.003 -34.078 15.929 1.00 11.35 ATOM 1703 HA LYS 109 12.442 -33.865 15.029 1.00 53.23 ATOM 1704 CB LYS 109 13.020 -35.596 16.158 1.00 31.31 ATOM 1705 HB1 LYS 109 12.009 -35.932 16.341 1.00 37.41 ATOM 1706 HB2 LYS 109 13.624 -35.810 17.029 1.00 33.23 ATOM 1707 CG LYS 109 13.583 -36.385 14.979 1.00 42.02 ATOM 1708 HG1 LYS 109 14.572 -36.011 14.753 1.00 37.41 ATOM 1709 HG2 LYS 109 12.943 -36.237 14.121 1.00 64.14 ATOM 1710 CD LYS 109 13.681 -37.886 15.260 1.00 70.34 ATOM 1711 HD1 LYS 109 14.280 -38.031 16.150 1.00 37.41 ATOM 1712 HD2 LYS 109 14.167 -38.363 14.424 1.00 41.14 ATOM 1713 CE LYS 109 12.322 -38.546 15.474 1.00 40.34 ATOM 1714 HE1 LYS 109 12.420 -39.606 15.293 1.00 37.41 ATOM 1715 HE2 LYS 109 11.615 -38.128 14.771 1.00 33.43 ATOM 1716 NZ LYS 109 11.807 -38.341 16.850 1.00 53.34 ATOM 1717 HZ1 LYS 109 11.628 -37.335 17.023 1.00 12.15 ATOM 1718 HZ2 LYS 109 12.507 -38.681 17.544 1.00 22.45 ATOM 1719 HZ3 LYS 109 10.923 -38.871 16.982 1.00 30.40 ATOM 1720 C LYS 109 12.318 -33.380 17.114 1.00 65.23 ATOM 1721 O LYS 109 11.092 -33.244 17.148 1.00 74.41 ATOM 1722 N VAL 110 13.116 -32.953 18.090 1.00 10.52 ATOM 1723 HN VAL 110 14.078 -33.134 18.029 1.00 37.41 ATOM 1724 CA VAL 110 12.603 -32.219 19.251 1.00 34.30 ATOM 1725 HA VAL 110 11.702 -32.714 19.590 1.00 33.14 ATOM 1726 CB VAL 110 13.629 -32.214 20.412 1.00 53.32 ATOM 1727 HB VAL 110 14.482 -31.621 20.104 1.00 32.45 ATOM 1728 CG1 VAL 110 13.038 -31.567 21.666 1.00 42.45 ATOM 1729 HG11 VAL 110 13.793 -31.520 22.437 1.00 65.42 ATOM 1730 HG12 VAL 110 12.203 -32.154 22.019 1.00 25.13 ATOM 1731 HG13 VAL 110 12.701 -30.567 21.433 1.00 45.35 ATOM 1732 CG2 VAL 110 14.121 -33.629 20.705 1.00 53.02 ATOM 1733 HG21 VAL 110 14.854 -33.600 21.498 1.00 75.25 ATOM 1734 HG22 VAL 110 14.572 -34.044 19.816 1.00 25.12 ATOM 1735 HG23 VAL 110 13.289 -34.249 21.009 1.00 1.33 ATOM 1736 C VAL 110 12.269 -30.769 18.872 1.00 42.13 ATOM 1737 O VAL 110 11.188 -30.267 19.172 1.00 21.31 ATOM 1738 N LEU 111 13.212 -30.107 18.203 1.00 1.14 ATOM 1739 HN LEU 111 14.057 -30.559 18.013 1.00 37.41 ATOM 1740 CA LEU 111 13.032 -28.727 17.746 1.00 22.11 ATOM 1741 HA LEU 111 12.879 -28.107 18.619 1.00 41.31 ATOM 1742 CB LEU 111 14.297 -28.252 17.012 1.00 41.50 ATOM 1743 HB1 LEU 111 14.421 -28.859 16.125 1.00 37.41 ATOM 1744 HB2 LEU 111 15.147 -28.419 17.660 1.00 75.31 ATOM 1745 CG LEU 111 14.299 -26.774 16.586 1.00 31.42 ATOM 1746 HG LEU 111 13.423 -26.582 15.982 1.00 3.04 ATOM 1747 CD1 LEU 111 14.233 -25.857 17.805 1.00 21.22 ATOM 1748 HD11 LEU 111 15.109 -26.010 18.421 1.00 34.24 ATOM 1749 HD12 LEU 111 13.346 -26.082 18.379 1.00 24.33 ATOM 1750 HD13 LEU 111 14.198 -24.827 17.480 1.00 14.34 ATOM 1751 CD2 LEU 111 15.532 -26.462 15.740 1.00 0.11 ATOM 1752 HD21 LEU 111 15.533 -27.089 14.861 1.00 43.35 ATOM 1753 HD22 LEU 111 16.427 -26.649 16.317 1.00 72.13 ATOM 1754 HD23 LEU 111 15.509 -25.424 15.439 1.00 21.35 ATOM 1755 C LEU 111 11.807 -28.604 16.828 1.00 5.21 ATOM 1756 O LEU 111 11.003 -27.681 16.968 1.00 74.25 ATOM 1757 N SER 112 11.669 -29.545 15.893 1.00 34.44 ATOM 1758 HN SER 112 12.366 -30.232 15.800 1.00 37.41 ATOM 1759 CA SER 112 10.506 -29.581 14.997 1.00 62.44 ATOM 1760 HA SER 112 10.448 -28.628 14.492 1.00 31.22 ATOM 1761 CB SER 112 10.667 -30.691 13.949 1.00 15.43 ATOM 1762 HB1 SER 112 11.585 -30.531 13.401 1.00 37.41 ATOM 1763 HB2 SER 112 9.831 -30.663 13.264 1.00 41.40 ATOM 1764 OG SER 112 10.717 -31.972 14.556 1.00 32.12 ATOM 1765 HG SER 112 10.805 -32.646 13.872 1.00 53.31 ATOM 1766 C SER 112 9.211 -29.804 15.788 1.00 70.54 ATOM 1767 O SER 112 8.169 -29.228 15.470 1.00 52.23 ATOM 1768 N SER 113 9.286 -30.647 16.817 1.00 61.11 ATOM 1769 HN SER 113 10.131 -31.117 16.981 1.00 37.41 ATOM 1770 CA SER 113 8.142 -30.902 17.707 1.00 13.11 ATOM 1771 HA SER 113 7.319 -31.248 17.098 1.00 13.11 ATOM 1772 CB SER 113 8.492 -31.990 18.733 1.00 33.13 ATOM 1773 HB1 SER 113 9.317 -31.656 19.346 1.00 37.41 ATOM 1774 HB2 SER 113 8.776 -32.894 18.212 1.00 3.31 ATOM 1775 OG SER 113 7.388 -32.282 19.573 1.00 42.52 ATOM 1776 HG SER 113 6.697 -32.707 19.054 1.00 31.11 ATOM 1777 C SER 113 7.712 -29.624 18.438 1.00 32.34 ATOM 1778 O SER 113 6.525 -29.298 18.498 1.00 24.43 ATOM 1779 N LEU 114 8.690 -28.898 18.977 1.00 72.40 ATOM 1780 HN LEU 114 9.611 -29.231 18.922 1.00 37.41 ATOM 1781 CA LEU 114 8.436 -27.621 19.657 1.00 4.42 ATOM 1782 HA LEU 114 7.774 -27.814 20.488 1.00 3.11 ATOM 1783 CB LEU 114 9.754 -27.044 20.193 1.00 44.43 ATOM 1784 HB1 LEU 114 9.542 -26.094 20.665 1.00 37.41 ATOM 1785 HB2 LEU 114 10.412 -26.867 19.352 1.00 41.13 ATOM 1786 CG LEU 114 10.490 -27.934 21.210 1.00 3.32 ATOM 1787 HG LEU 114 10.648 -28.910 20.773 1.00 44.43 ATOM 1788 CD1 LEU 114 11.860 -27.353 21.548 1.00 65.12 ATOM 1789 HD11 LEU 114 12.379 -28.021 22.220 1.00 43.34 ATOM 1790 HD12 LEU 114 11.739 -26.389 22.023 1.00 53.10 ATOM 1791 HD13 LEU 114 12.436 -27.238 20.642 1.00 71.44 ATOM 1792 CD2 LEU 114 9.650 -28.119 22.474 1.00 32.33 ATOM 1793 HD21 LEU 114 9.450 -27.156 22.921 1.00 62.24 ATOM 1794 HD22 LEU 114 10.188 -28.737 23.178 1.00 5.51 ATOM 1795 HD23 LEU 114 8.716 -28.597 22.220 1.00 40.34 ATOM 1796 C LEU 114 7.763 -26.614 18.711 1.00 23.32 ATOM 1797 O LEU 114 6.742 -26.010 19.051 1.00 60.01 ATOM 1798 N VAL 115 8.339 -26.444 17.519 1.00 61.34 ATOM 1799 HN VAL 115 9.176 -26.918 17.324 1.00 37.41 ATOM 1800 CA VAL 115 7.760 -25.565 16.496 1.00 32.44 ATOM 1801 HA VAL 115 7.722 -24.563 16.905 1.00 3.15 ATOM 1802 CB VAL 115 8.633 -25.534 15.212 1.00 72.20 ATOM 1803 HB VAL 115 8.699 -26.543 14.825 1.00 54.02 ATOM 1804 CG1 VAL 115 8.001 -24.651 14.134 1.00 44.30 ATOM 1805 HG11 VAL 115 8.629 -24.647 13.255 1.00 43.32 ATOM 1806 HG12 VAL 115 7.899 -23.642 14.507 1.00 64.32 ATOM 1807 HG13 VAL 115 7.025 -25.038 13.876 1.00 44.12 ATOM 1808 CG2 VAL 115 10.047 -25.056 15.538 1.00 62.44 ATOM 1809 HG21 VAL 115 10.489 -25.713 16.273 1.00 13.10 ATOM 1810 HG22 VAL 115 10.009 -24.051 15.933 1.00 51.31 ATOM 1811 HG23 VAL 115 10.649 -25.066 14.640 1.00 5.34 ATOM 1812 C VAL 115 6.332 -26.005 16.134 1.00 4.24 ATOM 1813 O VAL 115 5.432 -25.178 15.999 1.00 11.44 ATOM 1814 N THR 116 6.129 -27.315 15.992 1.00 13.53 ATOM 1815 HN THR 116 6.891 -27.925 16.078 1.00 37.41 ATOM 1816 CA THR 116 4.795 -27.869 15.705 1.00 12.12 ATOM 1817 HA THR 116 4.436 -27.408 14.795 1.00 12.23 ATOM 1818 CB THR 116 4.838 -29.399 15.486 1.00 72.31 ATOM 1819 HB THR 116 5.253 -29.862 16.372 1.00 1.11 ATOM 1820 OG1 THR 116 5.678 -29.713 14.366 1.00 42.02 ATOM 1821 HG1 THR 116 6.561 -29.943 14.684 1.00 72.35 ATOM 1822 CG2 THR 116 3.438 -29.964 15.250 1.00 33.22 ATOM 1823 HG21 THR 116 2.813 -29.765 16.113 1.00 2.24 ATOM 1824 HG22 THR 116 3.501 -31.030 15.094 1.00 31.04 ATOM 1825 HG23 THR 116 3.002 -29.499 14.378 1.00 64.22 ATOM 1826 C THR 116 3.807 -27.563 16.836 1.00 40.12 ATOM 1827 O THR 116 2.656 -27.202 16.587 1.00 30.52 ATOM 1828 N LEU 117 4.263 -27.711 18.077 1.00 73.32 ATOM 1829 HN LEU 117 5.177 -28.038 18.212 1.00 37.41 ATOM 1830 CA LEU 117 3.438 -27.399 19.247 1.00 44.45 ATOM 1831 HA LEU 117 2.544 -28.004 19.187 1.00 31.45 ATOM 1832 CB LEU 117 4.196 -27.756 20.535 1.00 74.41 ATOM 1833 HB1 LEU 117 5.097 -27.158 20.573 1.00 37.41 ATOM 1834 HB2 LEU 117 4.482 -28.798 20.478 1.00 21.22 ATOM 1835 CG LEU 117 3.419 -27.541 21.844 1.00 51.43 ATOM 1836 HG LEU 117 3.183 -26.491 21.944 1.00 51.32 ATOM 1837 CD1 LEU 117 2.105 -28.314 21.831 1.00 45.12 ATOM 1838 HD11 LEU 117 2.307 -29.372 21.746 1.00 21.33 ATOM 1839 HD12 LEU 117 1.508 -27.995 20.988 1.00 23.01 ATOM 1840 HD13 LEU 117 1.564 -28.121 22.746 1.00 63.13 ATOM 1841 CD2 LEU 117 4.270 -27.947 23.044 1.00 22.45 ATOM 1842 HD21 LEU 117 4.532 -28.992 22.966 1.00 14.31 ATOM 1843 HD22 LEU 117 3.712 -27.783 23.955 1.00 23.33 ATOM 1844 HD23 LEU 117 5.172 -27.351 23.064 1.00 14.32 ATOM 1845 C LEU 117 3.029 -25.917 19.243 1.00 11.23 ATOM 1846 O LEU 117 1.918 -25.561 19.643 1.00 64.23 ATOM 1847 N ASN 118 3.935 -25.060 18.778 1.00 54.24 ATOM 1848 HN ASN 118 4.840 -25.386 18.575 1.00 37.41 ATOM 1849 CA ASN 118 3.626 -23.642 18.575 1.00 74.44 ATOM 1850 HA ASN 118 3.177 -23.265 19.485 1.00 11.23 ATOM 1851 CB ASN 118 4.918 -22.861 18.294 1.00 24.40 ATOM 1852 HB1 ASN 118 5.379 -23.252 17.398 1.00 37.41 ATOM 1853 HB2 ASN 118 5.596 -22.992 19.124 1.00 22.21 ATOM 1854 CG ASN 118 4.678 -21.373 18.100 1.00 1.41 ATOM 1855 OD1 ASN 118 4.443 -20.908 16.991 1.00 2.01 ATOM 1856 ND2 ASN 118 4.741 -20.611 19.175 1.00 70.42 ATOM 1857 HD21 ASN 118 4.937 -21.035 20.034 1.00 62.21 ATOM 1858 HD22 ASN 118 4.590 -19.652 19.064 1.00 63.24 ATOM 1859 C ASN 118 2.627 -23.460 17.416 1.00 62.45 ATOM 1860 O ASN 118 1.673 -22.692 17.520 1.00 31.53 ATOM 1861 N LYS 119 2.852 -24.189 16.323 1.00 53.44 ATOM 1862 HN LYS 119 3.628 -24.786 16.308 1.00 37.41 ATOM 1863 CA LYS 119 1.979 -24.131 15.141 1.00 64.22 ATOM 1864 HA LYS 119 2.033 -23.129 14.738 1.00 31.35 ATOM 1865 CB LYS 119 2.461 -25.124 14.074 1.00 71.04 ATOM 1866 HB1 LYS 119 1.702 -25.201 13.307 1.00 37.41 ATOM 1867 HB2 LYS 119 2.584 -26.093 14.537 1.00 64.52 ATOM 1868 CG LYS 119 3.781 -24.750 13.400 1.00 11.20 ATOM 1869 HG1 LYS 119 4.514 -24.526 14.163 1.00 37.41 ATOM 1870 HG2 LYS 119 3.625 -23.876 12.784 1.00 24.31 ATOM 1871 CD LYS 119 4.310 -25.888 12.522 1.00 15.44 ATOM 1872 HD1 LYS 119 4.622 -26.705 13.157 1.00 37.41 ATOM 1873 HD2 LYS 119 5.158 -25.527 11.959 1.00 30.44 ATOM 1874 CE LYS 119 3.256 -26.396 11.541 1.00 63.52 ATOM 1875 HE1 LYS 119 3.011 -25.601 10.852 1.00 37.41 ATOM 1876 HE2 LYS 119 2.371 -26.677 12.093 1.00 25.42 ATOM 1877 NZ LYS 119 3.731 -27.574 10.769 1.00 33.24 ATOM 1878 HZ1 LYS 119 4.009 -28.340 11.417 1.00 54.14 ATOM 1879 HZ2 LYS 119 4.551 -27.316 10.184 1.00 23.22 ATOM 1880 HZ3 LYS 119 2.974 -27.923 10.148 1.00 13.24 ATOM 1881 C LYS 119 0.516 -24.450 15.486 1.00 63.50 ATOM 1882 O LYS 119 -0.393 -23.683 15.154 1.00 5.12 ATOM 1883 N VAL 120 0.294 -25.594 16.134 1.00 20.22 ATOM 1884 HN VAL 120 1.060 -26.144 16.404 1.00 37.41 ATOM 1885 CA VAL 120 -1.064 -26.050 16.453 1.00 11.42 ATOM 1886 HA VAL 120 -1.628 -26.035 15.530 1.00 42.35 ATOM 1887 CB VAL 120 -1.077 -27.511 16.988 1.00 4.21 ATOM 1888 HB VAL 120 -2.096 -27.766 17.253 1.00 72.23 ATOM 1889 CG1 VAL 120 -0.617 -28.483 15.902 1.00 23.50 ATOM 1890 HG11 VAL 120 0.391 -28.236 15.601 1.00 75.22 ATOM 1891 HG12 VAL 120 -1.275 -28.410 15.048 1.00 62.25 ATOM 1892 HG13 VAL 120 -0.640 -29.493 16.288 1.00 33.22 ATOM 1893 CG2 VAL 120 -0.210 -27.655 18.237 1.00 5.10 ATOM 1894 HG21 VAL 120 -0.233 -28.682 18.578 1.00 33.33 ATOM 1895 HG22 VAL 120 -0.587 -27.010 19.017 1.00 24.41 ATOM 1896 HG23 VAL 120 0.807 -27.378 18.002 1.00 71.23 ATOM 1897 C VAL 120 -1.770 -25.116 17.452 1.00 35.22 ATOM 1898 O VAL 120 -2.912 -24.716 17.230 1.00 14.04 ATOM 1899 N THR 121 -1.084 -24.747 18.535 1.00 63.23 ATOM 1900 HN THR 121 -0.159 -25.052 18.642 1.00 37.41 ATOM 1901 CA THR 121 -1.681 -23.887 19.568 1.00 43.13 ATOM 1902 HA THR 121 -2.623 -24.333 19.860 1.00 1.12 ATOM 1903 CB THR 121 -0.789 -23.792 20.826 1.00 51.32 ATOM 1904 HB THR 121 -1.263 -23.128 21.534 1.00 41.22 ATOM 1905 OG1 THR 121 0.501 -23.260 20.483 1.00 24.11 ATOM 1906 HG1 THR 121 1.136 -23.981 20.394 1.00 14.41 ATOM 1907 CG2 THR 121 -0.631 -25.161 21.479 1.00 32.34 ATOM 1908 HG21 THR 121 -0.125 -25.830 20.797 1.00 72.04 ATOM 1909 HG22 THR 121 -1.606 -25.562 21.717 1.00 2.43 ATOM 1910 HG23 THR 121 -0.051 -25.064 22.386 1.00 44.42 ATOM 1911 C THR 121 -1.955 -22.472 19.045 1.00 31.24 ATOM 1912 O THR 121 -3.028 -21.909 19.280 1.00 25.24 ATOM 1913 N ALA 122 -0.985 -21.900 18.333 1.00 54.02 ATOM 1914 HN ALA 122 -0.133 -22.374 18.220 1.00 37.41 ATOM 1915 CA ALA 122 -1.155 -20.577 17.725 1.00 44.41 ATOM 1916 HA ALA 122 -1.357 -19.871 18.519 1.00 51.41 ATOM 1917 CB ALA 122 0.125 -20.141 17.019 1.00 51.43 ATOM 1918 HB1 ALA 122 0.004 -19.137 16.635 1.00 14.30 ATOM 1919 HB2 ALA 122 0.337 -20.815 16.202 1.00 31.12 ATOM 1920 HB3 ALA 122 0.948 -20.159 17.721 1.00 54.42 ATOM 1921 C ALA 122 -2.334 -20.568 16.744 1.00 50.51 ATOM 1922 O ALA 122 -3.115 -19.617 16.705 1.00 0.35 ATOM 1923 N ASP 123 -2.460 -21.640 15.960 1.00 31.30 ATOM 1924 HN ASP 123 -1.789 -22.354 16.021 1.00 37.41 ATOM 1925 CA ASP 123 -3.563 -21.781 15.003 1.00 11.12 ATOM 1926 HA ASP 123 -3.548 -20.913 14.358 1.00 12.13 ATOM 1927 CB ASP 123 -3.353 -23.036 14.150 1.00 65.03 ATOM 1928 HB1 ASP 123 -3.472 -23.912 14.773 1.00 37.41 ATOM 1929 HB2 ASP 123 -2.349 -23.025 13.748 1.00 65.20 ATOM 1930 CG ASP 123 -4.330 -23.127 12.993 1.00 45.43 ATOM 1931 OD1 ASP 123 -5.320 -23.877 13.097 1.00 62.23 ATOM 1932 OD2 ASP 123 -4.112 -22.446 11.969 1.00 74.43 ATOM 1933 C ASP 123 -4.923 -21.839 15.723 1.00 4.34 ATOM 1934 O ASP 123 -5.914 -21.275 15.249 1.00 70.24 ATOM 1935 N ILE 124 -4.962 -22.524 16.869 1.00 13.41 ATOM 1936 HN ILE 124 -4.160 -23.009 17.162 1.00 37.41 ATOM 1937 CA ILE 124 -6.174 -22.575 17.699 1.00 4.52 ATOM 1938 HA ILE 124 -6.977 -22.970 17.088 1.00 72.22 ATOM 1939 CB ILE 124 -5.988 -23.510 18.929 1.00 51.52 ATOM 1940 HB ILE 124 -5.145 -23.144 19.499 1.00 21.31 ATOM 1941 CG1 ILE 124 -5.693 -24.951 18.476 1.00 73.23 ATOM 1942 HG11 ILE 124 -4.805 -24.952 17.861 1.00 37.41 ATOM 1943 HG12 ILE 124 -6.526 -25.319 17.895 1.00 45.44 ATOM 1944 CG2 ILE 124 -7.220 -23.476 19.838 1.00 62.41 ATOM 1945 HG21 ILE 124 -7.069 -24.141 20.675 1.00 41.40 ATOM 1946 HG22 ILE 124 -8.092 -23.791 19.281 1.00 3.14 ATOM 1947 HG23 ILE 124 -7.373 -22.470 20.203 1.00 52.34 ATOM 1948 CD1 ILE 124 -5.464 -25.925 19.617 1.00 11.21 ATOM 1949 HD11 ILE 124 -6.353 -25.983 20.230 1.00 30.34 ATOM 1950 HD12 ILE 124 -4.634 -25.587 20.219 1.00 35.54 ATOM 1951 HD13 ILE 124 -5.241 -26.902 19.215 1.00 41.45 ATOM 1952 C ILE 124 -6.567 -21.167 18.183 1.00 55.32 ATOM 1953 O ILE 124 -7.749 -20.822 18.243 1.00 22.13 ATOM 1954 N GLY 125 -5.566 -20.353 18.509 1.00 44.44 ATOM 1955 HN GLY 125 -4.644 -20.687 18.459 1.00 37.41 ATOM 1956 CA GLY 125 -5.817 -18.979 18.936 1.00 33.25 ATOM 1957 HA1 GLY 125 -6.800 -18.678 18.596 1.00 37.41 ATOM 1958 HA2 GLY 125 -5.082 -18.335 18.475 1.00 74.42 ATOM 1959 C GLY 125 -5.747 -18.796 20.448 1.00 43.10 ATOM 1960 O GLY 125 -6.771 -18.814 21.133 1.00 14.14 ATOM 1961 N LEU 126 -4.535 -18.625 20.969 1.00 72.22 ATOM 1962 HN LEU 126 -3.756 -18.662 20.377 1.00 37.41 ATOM 1963 HA LEU 126 -5.124 -18.896 22.939 1.00 34.31 ATOM 1964 CB LEU 126 -2.984 -18.986 22.851 1.00 54.04 ATOM 1965 HB1 LEU 126 -2.855 -18.779 23.905 1.00 37.41 ATOM 1966 HB2 LEU 126 -2.197 -18.482 22.306 1.00 12.10 ATOM 1967 CG LEU 126 -2.828 -20.503 22.636 1.00 20.42 ATOM 1968 HG LEU 126 -2.892 -20.717 21.577 1.00 73.33 ATOM 1969 CD1 LEU 126 -1.460 -20.976 23.120 1.00 43.31 ATOM 1970 HD11 LEU 126 -1.349 -20.750 24.172 1.00 45.20 ATOM 1971 HD12 LEU 126 -0.685 -20.473 22.560 1.00 74.24 ATOM 1972 HD13 LEU 126 -1.375 -22.042 22.971 1.00 24.51 ATOM 1973 CD2 LEU 126 -3.948 -21.272 23.338 1.00 22.34 ATOM 1974 HD21 LEU 126 -4.903 -20.965 22.936 1.00 63.53 ATOM 1975 HD22 LEU 126 -3.922 -21.065 24.399 1.00 53.42 ATOM 1976 HD23 LEU 126 -3.816 -22.332 23.175 1.00 11.33 ATOM 1977 CA LEU 126 -4.328 -18.391 22.406 1.00 33.41 ATOM 1978 C LEU 126 -4.379 -16.887 22.748 1.00 23.10 ATOM 1979 OT1 LEU 126 -3.414 -16.163 22.411 1.00 37.41 ATOM 1980 OT2 LEU 126 -5.373 -16.439 23.361 1.00 37.41 ATOM 1981 OH2 TIP3 1 -8.290 -43.908 19.221 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -7.431 -43.601 19.592 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -8.076 -44.782 18.823 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -4.860 -41.501 13.201 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -4.781 -42.404 12.878 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -4.006 -41.085 12.961 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -8.319 -39.801 19.165 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -8.179 -38.898 19.518 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.841 -40.375 19.795 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -7.470 -38.827 11.399 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -8.422 -38.928 11.316 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -7.283 -39.056 12.333 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -10.130 -41.934 19.037 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -9.511 -42.699 19.040 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -9.552 -41.160 19.168 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -9.371 -44.710 21.631 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -10.180 -44.214 21.773 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -9.060 -44.413 20.750 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -2.603 -39.869 12.815 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -2.070 -39.349 12.181 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -3.242 -39.219 13.170 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -6.608 -39.549 13.944 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -6.997 -39.738 14.808 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -6.068 -40.352 13.739 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -3.708 -41.804 20.299 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -3.057 -42.078 19.620 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -4.370 -42.524 20.304 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -11.700 -40.960 17.075 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -12.536 -41.430 17.070 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -11.170 -41.421 17.765 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -5.626 -41.308 23.690 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -5.952 -41.154 24.603 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -4.962 -42.013 23.792 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -10.619 -36.539 15.669 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -10.519 -37.433 16.042 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -9.737 -36.325 15.323 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -11.474 -39.238 23.227 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -12.367 -39.230 22.868 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -11.404 -40.111 23.686 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -8.013 -35.516 14.871 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -7.267 -34.889 14.815 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.784 -36.091 15.632 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.060 -37.887 10.563 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -5.935 -38.308 10.739 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -5.233 -37.277 9.842 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -1.985 -42.047 18.186 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -1.095 -41.913 18.595 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -1.791 -42.472 17.342 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -5.905 -44.542 22.935 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -5.037 -44.218 23.265 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -6.529 -44.290 23.626 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 0.535 -41.852 19.162 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 1.356 -41.453 18.811 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 0.691 -41.914 20.123 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -7.291 -46.394 18.774 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -6.836 -47.165 18.433 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -7.279 -46.521 19.751 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -6.853 -40.561 21.381 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -6.331 -40.723 22.205 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -7.579 -39.958 21.675 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -6.098 -43.115 20.586 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -6.348 -42.235 20.942 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -6.035 -43.687 21.380 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 2.522 -36.712 11.445 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 3.153 -35.964 11.627 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 2.114 -36.893 12.320 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -11.010 -41.513 24.619 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -10.301 -41.141 25.191 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -11.090 -42.426 24.908 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -3.686 -43.372 24.023 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -3.030 -42.670 23.844 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -3.193 -44.022 24.566 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -7.267 -46.481 21.500 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -8.112 -46.014 21.664 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -6.618 -45.990 22.039 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -1.762 -41.403 24.168 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -2.003 -41.337 25.128 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -2.120 -40.596 23.779 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 0.179 -43.286 14.546 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 1.071 -42.973 14.258 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 0.237 -44.242 14.484 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -0.638 -40.692 14.622 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -1.305 -40.555 13.921 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -0.466 -41.660 14.607 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -8.914 -38.993 22.139 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -8.696 -38.402 22.879 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -9.864 -39.178 22.258 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -7.930 -37.047 17.153 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -8.627 -37.731 17.051 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -8.211 -36.535 17.932 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -9.796 -39.012 16.963 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -9.292 -39.415 17.703 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -10.559 -39.623 16.836 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 1.370 -36.966 13.927 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 1.412 -37.913 14.202 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 0.874 -36.529 14.661 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -3.506 -43.539 32.707 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -4.031 -43.499 33.522 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -2.616 -43.816 33.012 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -5.236 -37.141 35.802 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -4.537 -37.824 35.932 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -6.063 -37.660 35.740 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -2.707 -37.114 31.264 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -3.564 -36.690 31.045 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -2.129 -36.368 31.508 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -2.722 -39.818 29.110 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -2.924 -40.446 29.842 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -2.660 -38.955 29.551 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -3.852 -42.259 37.557 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -4.447 -42.056 36.800 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -3.127 -41.590 37.478 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -2.897 -39.325 33.426 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -2.919 -38.429 33.055 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -3.068 -39.198 34.383 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -5.754 -39.752 30.844 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -5.832 -39.152 31.594 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -4.956 -40.289 31.046 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -1.722 -39.942 40.083 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -1.865 -40.068 39.115 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -2.245 -40.645 40.491 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -7.703 -41.917 38.147 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -6.997 -41.314 37.867 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -7.227 -42.638 38.612 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -8.902 -38.720 28.546 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -9.449 -38.057 28.111 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -8.345 -38.197 29.169 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -5.293 -39.237 28.111 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -5.667 -39.265 29.012 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -4.356 -39.466 28.238 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -4.993 -36.990 38.764 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -5.002 -36.608 37.870 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -4.174 -36.627 39.173 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -3.094 -44.388 35.980 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -3.538 -45.172 36.379 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -3.273 -43.667 36.619 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -5.638 -43.143 39.505 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -5.327 -42.956 40.417 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -4.879 -42.892 38.935 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -4.851 -42.666 42.168 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.280 -41.781 42.254 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -4.003 -42.562 42.653 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 1.119 -41.841 40.229 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 0.954 -41.490 39.319 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 0.259 -42.181 40.509 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -4.398 -46.453 37.300 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -4.785 -46.230 38.179 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -4.630 -47.375 37.170 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -5.312 -41.129 35.546 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -6.078 -40.616 35.240 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -4.596 -40.455 35.643 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -5.651 -45.873 39.678 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -5.856 -45.937 40.632 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -5.773 -44.924 39.475 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -2.488 -41.391 26.771 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -2.757 -42.243 27.180 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -2.560 -40.745 27.500 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -3.423 -41.082 31.443 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -3.146 -40.520 32.206 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -3.463 -41.988 31.817 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -6.345 -42.996 28.330 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -5.831 -43.436 29.022 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -6.993 -42.443 28.825 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -7.816 -41.109 29.627 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -8.356 -40.381 29.268 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -7.124 -40.656 30.150 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -6.376 -41.091 26.332 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -5.992 -40.350 26.852 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -6.292 -41.869 26.930 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -8.337 -39.831 39.831 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -7.558 -39.407 39.439 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -8.295 -40.749 39.503 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -2.917 -43.802 27.993 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -2.064 -44.111 28.370 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -3.570 -43.980 28.706 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -6.166 -45.130 42.318 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -6.636 -45.069 43.150 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -5.657 -44.294 42.267 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -0.012 -43.455 24.060 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -0.588 -42.658 24.039 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -0.595 -44.155 24.409 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -9.020 -40.337 26.152 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -9.057 -39.959 27.053 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -8.096 -40.669 26.072 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.432 -38.976 42.617 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -2.091 -39.075 41.711 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.089 -38.108 42.907 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -4.398 -44.485 30.219 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -4.540 -45.415 30.424 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -4.115 -44.092 31.072 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -0.422 -44.653 28.654 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 0.175 -44.216 28.005 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -0.097 -44.342 29.530 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -1.163 -44.257 34.023 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -0.341 -44.282 34.521 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -1.865 -44.348 34.716 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -1.944 -44.799 25.655 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -2.406 -44.373 26.413 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -1.538 -45.583 26.040 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -5.482 -35.416 33.722 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -5.250 -35.906 34.545 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -5.054 -34.537 33.836 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -5.920 -39.481 38.172 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -5.072 -39.883 37.918 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -5.666 -38.597 38.529 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -7.230 -39.038 35.804 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -6.773 -39.202 36.658 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -8.156 -39.321 35.974 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -9.482 -38.019 24.714 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -10.313 -38.240 24.244 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -9.280 -38.827 25.230 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -1.609 -36.740 46.098 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -0.661 -36.764 46.350 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -2.023 -37.393 46.669 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -5.717 -40.120 42.467 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.173 -39.328 42.558 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -6.636 -39.797 42.592 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 1.127 -36.949 46.529 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 1.295 -36.671 45.601 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 1.879 -36.562 47.034 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -12.592 -33.296 42.228 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -11.937 -33.558 42.878 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -13.410 -33.682 42.544 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -2.591 -41.638 43.438 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -2.626 -40.680 43.238 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -1.910 -41.709 44.140 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -0.111 -21.074 0.117 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -1.049 -20.933 -0.121 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -0.105 -21.028 1.094 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 1.738 -25.957 1.446 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 1.520 -26.104 2.373 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 1.313 -25.085 1.234 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -5.705 -20.270 5.629 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -6.107 -20.822 6.338 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -6.392 -19.631 5.415 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -5.343 -28.246 -2.359 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -6.244 -28.542 -2.227 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -5.098 -28.597 -3.216 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 1.773 -27.804 -0.580 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 1.717 -27.166 0.168 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 0.856 -27.943 -0.841 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -0.446 -21.680 2.826 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -0.405 -21.310 3.729 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -1.403 -21.832 2.675 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -2.613 -18.214 0.792 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -1.892 -17.876 0.223 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.756 -19.128 0.480 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -5.186 -23.184 5.999 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -6.009 -23.069 6.514 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -4.900 -22.276 5.812 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 0.991 -25.675 7.322 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 0.741 -26.509 7.754 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 0.205 -25.105 7.426 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 4.044 -24.862 0.368 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 4.784 -25.378 0.748 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 3.256 -25.179 0.857 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 0.655 -23.550 1.118 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 0.369 -23.025 1.893 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 0.497 -22.958 0.364 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 0.949 -38.721 10.165 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 1.368 -38.933 9.322 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 1.532 -38.040 10.555 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -3.155 -22.008 2.529 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -3.335 -21.337 3.220 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -3.489 -22.851 2.916 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -2.886 -20.891 0.064 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -3.043 -21.353 0.920 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -3.544 -21.267 -0.531 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -1.473 -17.043 2.993 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -2.073 -17.367 2.289 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -0.584 -17.101 2.589 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -3.287 -19.902 4.343 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -3.234 -19.004 3.977 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -4.157 -19.926 4.803 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -8.909 -31.481 14.812 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -8.482 -30.968 14.093 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -9.176 -32.322 14.379 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -9.002 -26.579 16.898 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -9.737 -27.164 16.607 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -8.218 -26.927 16.427 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -5.531 -29.537 14.829 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -5.969 -30.271 15.320 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -5.916 -28.723 15.220 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -3.112 -32.922 15.181 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -2.843 -33.435 15.976 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -3.262 -32.014 15.529 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -3.766 -30.785 16.767 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -4.362 -31.022 17.504 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -4.269 -30.136 16.253 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -11.287 -30.859 15.935 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -11.700 -31.731 16.044 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -10.401 -31.061 15.561 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -11.456 -28.511 18.949 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -11.319 -27.605 19.293 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -11.415 -28.402 17.976 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -10.437 -25.922 19.276 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -11.147 -25.511 18.729 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -9.710 -26.072 18.641 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -11.305 -33.838 15.736 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -10.911 -33.708 14.852 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -11.385 -34.813 15.817 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -8.193 -27.603 12.358 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -7.326 -27.214 12.593 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -8.838 -27.040 12.832 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -5.801 -26.509 13.215 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -5.597 -25.549 13.089 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -5.285 -26.959 12.511 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.137 -28.174 16.211 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -11.783 -27.800 15.599 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -11.213 -29.152 16.075 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -6.513 -27.077 15.723 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -6.298 -26.843 14.787 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -6.157 -26.342 16.236 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -9.034 -21.659 22.017 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -9.987 -21.868 21.938 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -8.888 -20.965 21.350 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -3.167 -26.213 9.895 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -3.311 -25.677 9.082 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -2.202 -26.167 10.043 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -13.406 -19.138 23.001 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -12.445 -19.068 22.834 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -13.752 -18.260 22.761 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 0.315 -33.321 10.725 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 0.032 -34.064 11.298 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -0.368 -32.636 10.871 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 0.354 -21.912 10.708 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 0.120 -22.620 11.344 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -0.406 -21.291 10.760 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -8.530 -20.749 13.472 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -8.585 -20.398 14.387 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -8.653 -19.957 12.907 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -0.969 -23.747 8.051 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -1.885 -24.068 7.878 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -1.072 -22.783 8.144 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -8.431 -35.225 19.348 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -9.207 -34.710 19.033 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -7.679 -34.879 18.810 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -1.580 -31.419 11.743 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -1.273 -31.937 12.516 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -2.405 -30.981 12.063 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -4.776 -27.994 11.141 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -5.515 -28.050 10.523 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -4.102 -27.454 10.664 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -7.440 -30.184 12.856 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -7.838 -29.354 12.509 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -6.637 -29.885 13.322 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -5.533 -31.564 18.884 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -5.478 -32.329 19.493 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -5.798 -30.820 19.465 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -11.926 -31.359 19.140 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -11.755 -30.464 18.796 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -12.472 -31.213 19.917 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -8.583 -31.584 19.283 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -9.152 -32.238 18.825 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -8.140 -32.099 19.978 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -5.648 -24.969 10.600 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -5.562 -24.425 11.417 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -4.748 -25.295 10.436 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -4.521 -22.373 9.297 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -4.434 -22.421 10.278 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -5.425 -22.061 9.154 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -7.281 -26.862 25.983 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -7.262 -27.082 26.948 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -6.901 -27.637 25.555 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 1.655 -35.312 9.250 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 1.072 -34.626 9.626 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 1.853 -35.896 10.004 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -6.326 -18.603 15.110 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -6.398 -19.575 15.201 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -6.818 -18.253 15.876 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -11.865 -24.885 14.619 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -11.523 -23.971 14.554 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -12.224 -25.063 13.727 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -9.360 -25.528 13.697 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -8.786 -24.802 14.021 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -10.212 -25.382 14.156 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -10.754 -22.491 13.738 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -10.993 -22.075 14.592 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -9.965 -21.995 13.444 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -4.028 -24.256 3.815 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -4.480 -25.082 3.618 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -4.449 -23.941 4.643 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -0.735 -23.767 12.388 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -0.565 -23.757 13.352 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -1.656 -23.466 12.310 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -9.365 -25.180 10.956 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -9.345 -25.129 11.932 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -9.085 -26.085 10.762 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -7.599 -23.541 14.515 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -7.603 -22.570 14.451 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -6.775 -23.805 14.037 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -6.677 -29.692 20.595 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -7.391 -29.652 19.941 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -6.897 -28.972 21.232 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.338 -32.893 12.285 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -6.559 -33.166 12.786 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.298 -31.915 12.292 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -11.939 -24.375 11.894 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -11.263 -24.609 11.236 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -11.604 -23.556 12.299 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -6.617 -31.557 16.278 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -6.558 -31.643 17.252 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -7.578 -31.613 16.087 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -13.123 -21.966 26.737 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -13.840 -21.606 27.272 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -12.365 -21.358 26.912 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -2.205 -20.760 10.904 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -2.840 -21.419 11.263 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -2.602 -19.895 11.151 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -0.941 -20.697 5.450 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -1.197 -20.848 6.380 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -1.767 -20.371 5.025 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -9.709 -25.636 22.033 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -10.044 -25.742 21.115 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -9.157 -24.843 21.993 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -7.638 -23.806 9.187 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -6.894 -24.273 9.628 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -8.423 -24.083 9.698 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -10.346 -33.452 18.309 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -10.999 -32.805 18.665 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -10.668 -33.635 17.398 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -3.567 -24.423 7.877 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -4.113 -24.346 7.071 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -3.883 -23.675 8.447 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -8.319 -34.701 22.167 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -8.127 -33.752 22.056 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -8.471 -35.018 21.259 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -6.261 -34.589 17.820 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -5.568 -34.034 18.200 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -5.803 -35.124 17.153 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -9.868 -29.708 20.816 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -10.513 -29.244 20.241 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -9.498 -30.410 20.238 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -6.882 -37.537 19.967 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -6.102 -37.384 20.547 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -7.390 -36.705 20.027 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -8.142 -27.960 22.120 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -8.830 -28.587 21.820 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -8.631 -27.132 22.283 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -7.487 -32.049 21.857 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -7.176 -31.199 21.482 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -6.735 -32.347 22.423 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -7.809 -35.833 24.659 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -7.992 -35.386 23.804 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -8.454 -36.572 24.683 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -7.571 -19.989 9.407 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -7.091 -20.359 10.172 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -8.115 -19.284 9.789 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -3.760 -30.051 12.685 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -4.207 -29.889 13.537 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -4.090 -29.336 12.104 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -1.042 -29.537 9.867 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -1.870 -29.625 9.389 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -1.121 -30.185 10.604 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -5.738 -33.773 14.843 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -4.798 -33.496 14.766 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -6.156 -33.048 15.357 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 1.776 -32.073 13.352 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 0.850 -32.330 13.537 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 2.071 -32.714 12.694 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -0.788 -33.142 13.714 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -1.600 -33.092 14.268 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -0.796 -34.054 13.361 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -1.514 -37.954 11.095 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -0.683 -38.287 10.685 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -2.175 -38.031 10.395 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -12.239 -25.086 17.371 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -12.813 -24.318 17.425 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -12.062 -25.186 16.412 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -11.593 -21.138 18.969 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -10.876 -20.548 19.265 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -11.933 -21.528 19.797 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -10.773 -19.092 22.290 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -10.054 -18.758 22.858 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -10.362 -19.167 21.408 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -10.973 -21.806 16.395 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -11.375 -21.569 17.265 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -10.421 -22.600 16.595 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -9.402 -19.720 19.937 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -8.739 -20.134 19.342 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -9.391 -18.769 19.683 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -4.947 -36.375 15.461 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -5.170 -35.479 15.147 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -4.696 -36.859 14.644 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -9.606 -33.781 13.502 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -8.975 -33.515 12.798 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -9.214 -34.599 13.874 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -4.512 -37.940 13.278 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -4.560 -37.773 12.309 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -5.339 -38.430 13.476 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -0.398 -35.551 12.303 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 0.273 -36.028 12.831 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -0.952 -36.264 11.923 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -6.261 -20.758 11.755 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -6.943 -21.065 12.387 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -5.523 -21.405 11.868 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 3.044 -22.958 10.686 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 2.126 -22.627 10.676 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 3.057 -23.654 9.992 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -4.972 -22.654 31.654 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -4.685 -22.332 30.777 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -4.194 -22.505 32.222 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.352 -25.945 34.078 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -7.923 -26.404 33.425 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -6.889 -26.675 34.538 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -8.011 -32.208 31.708 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -8.427 -31.793 30.939 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -7.126 -32.481 31.383 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -8.667 -27.724 32.406 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -8.477 -28.537 32.925 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -8.755 -28.051 31.483 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -1.421 -24.205 33.625 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -1.924 -23.376 33.476 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -1.386 -24.627 32.744 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -9.539 -34.458 32.686 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -8.932 -35.213 32.813 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -8.962 -33.733 32.376 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 2.231 -31.211 37.397 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 1.642 -31.890 37.030 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 2.010 -30.396 36.878 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -6.406 -28.425 37.612 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -6.258 -28.519 36.651 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -7.199 -27.856 37.670 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -11.215 -26.658 32.489 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -11.746 -27.468 32.298 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -10.287 -26.974 32.469 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -7.428 -23.752 32.260 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -7.322 -24.449 32.944 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -6.507 -23.446 32.079 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.902 -26.962 35.311 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -10.952 -26.637 34.393 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -11.671 -27.529 35.401 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -5.145 -22.110 34.850 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -5.857 -22.351 34.245 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -5.454 -22.406 35.714 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -6.226 -19.659 29.110 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -5.747 -20.343 28.599 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -7.170 -19.905 29.004 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 1.440 -24.181 38.031 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 1.702 -24.162 38.969 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 1.488 -25.127 37.791 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -8.700 -20.973 28.831 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -8.974 -21.315 29.707 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -8.472 -21.785 28.320 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -8.225 -18.364 23.300 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -7.604 -18.485 22.544 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -8.129 -19.193 23.821 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -5.202 -21.894 27.562 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -5.369 -22.813 27.262 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -4.481 -21.983 28.219 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -4.673 -31.383 41.905 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -3.707 -31.315 42.032 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -4.847 -30.865 41.092 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -9.441 -40.075 36.993 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -9.841 -39.757 37.811 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -9.040 -40.934 37.240 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -5.763 -30.162 39.653 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -6.666 -30.179 40.027 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -5.818 -29.501 38.926 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -7.979 -33.760 28.602 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -8.640 -34.243 29.111 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -7.552 -34.456 28.046 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -12.305 -29.062 31.856 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -12.280 -29.335 30.932 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -12.062 -29.876 32.355 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -9.643 -30.942 23.271 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -9.959 -30.438 22.498 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -8.956 -31.526 22.905 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -6.311 -28.379 34.855 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -5.556 -28.579 34.290 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -7.022 -28.975 34.521 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -11.469 -31.379 33.071 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -11.914 -32.238 33.245 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -10.537 -31.559 33.242 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -9.135 -28.968 29.987 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -8.866 -29.801 29.535 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -9.989 -28.738 29.562 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.034 -30.095 33.641 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -7.943 -30.844 33.017 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.578 -30.462 34.379 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -9.522 -31.135 35.641 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -10.472 -31.051 35.770 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -9.184 -31.419 36.518 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -7.444 -27.276 28.621 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -7.698 -26.449 29.082 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -7.889 -27.979 29.135 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -5.864 -24.501 26.697 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -6.350 -25.255 26.300 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -4.958 -24.852 26.846 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 1.553 -26.914 40.183 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 2.185 -27.626 40.425 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 1.328 -27.100 39.245 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -9.485 -22.294 31.154 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -8.705 -22.641 31.639 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -10.058 -23.083 31.035 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -10.986 -24.543 30.632 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -11.519 -24.663 29.814 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -11.311 -25.245 31.240 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -2.398 -27.806 35.399 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -2.965 -27.792 36.181 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -1.824 -27.013 35.506 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -11.205 -25.644 24.422 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -10.685 -25.690 23.592 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -11.857 -24.954 24.254 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -12.071 -24.256 28.102 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -11.545 -24.725 27.442 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -12.495 -23.533 27.599 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -5.962 -32.797 38.776 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -5.701 -31.901 39.069 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -6.734 -32.645 38.211 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -5.773 -33.111 30.227 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -4.986 -32.639 29.878 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -6.381 -33.164 29.463 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -8.364 -25.028 29.934 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -7.922 -24.602 30.697 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -9.318 -24.975 30.152 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -8.763 -31.145 28.418 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -9.050 -30.918 27.504 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -8.486 -32.084 28.356 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -8.749 -32.040 38.187 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -8.582 -31.437 38.946 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -9.105 -32.837 38.595 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -5.115 -35.697 31.022 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -5.258 -35.618 31.990 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -5.322 -34.801 30.676 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -3.219 -19.320 32.415 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -3.060 -18.630 33.096 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -4.055 -19.045 31.987 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -11.783 -21.637 21.712 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -11.641 -20.698 21.940 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -12.388 -21.962 22.417 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -10.036 -27.532 26.046 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -10.577 -26.922 25.494 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -9.132 -27.163 25.989 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -8.177 -23.378 27.695 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -8.297 -24.020 28.422 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -7.365 -23.680 27.243 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -0.912 -30.013 34.519 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -1.351 -29.252 34.941 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -0.024 -30.021 34.918 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -9.680 -30.301 25.949 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -9.787 -29.331 25.888 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -9.719 -30.607 25.013 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -11.194 -28.890 28.184 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -10.891 -28.268 27.491 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -11.145 -29.756 27.758 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -8.518 -26.739 36.767 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -8.131 -26.165 36.096 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -9.432 -26.890 36.450 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -1.942 -31.505 42.315 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -1.755 -30.881 43.047 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -1.215 -31.359 41.692 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -8.350 -39.343 42.519 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -8.407 -39.497 41.550 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -9.258 -39.399 42.821 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -8.325 -30.738 40.586 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -8.959 -30.255 41.127 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -7.946 -31.414 41.203 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -7.100 -32.550 42.173 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -6.819 -33.446 41.907 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -6.253 -32.062 42.286 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -11.194 -20.310 27.692 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -11.538 -20.573 28.572 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -10.228 -20.309 27.810 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 3.391 -22.257 34.683 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 2.916 -22.035 35.515 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 3.237 -23.218 34.570 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 2.342 -21.679 37.188 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 3.129 -21.657 37.761 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 1.881 -22.510 37.447 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -0.909 -25.550 35.927 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -1.047 -25.074 35.071 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -0.625 -24.855 36.539 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 3.211 -28.919 41.133 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 4.072 -28.867 41.607 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 3.236 -29.793 40.690 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -2.773 -35.725 39.806 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -2.897 -35.211 40.630 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -1.833 -35.634 39.610 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 0.459 -38.204 40.389 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 0.289 -37.454 39.801 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -0.289 -38.813 40.225 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -5.734 -18.465 31.544 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -5.807 -18.878 30.652 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -6.581 -18.655 31.959 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -2.903 -21.863 33.336 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -2.950 -20.953 32.957 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -3.635 -21.886 33.996 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -12.100 -33.994 33.521 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -11.184 -34.207 33.227 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -12.551 -34.842 33.522 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -7.540 -37.017 30.286 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -6.638 -36.642 30.295 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -7.834 -36.945 31.214 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -7.827 -36.661 33.075 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -6.999 -36.204 33.350 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -7.975 -37.319 33.769 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -6.878 -35.822 27.245 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -6.467 -36.690 27.357 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -7.178 -35.816 26.308 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -5.949 -19.867 25.880 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -5.664 -20.634 26.424 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -6.688 -20.218 25.345 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -5.717 -34.628 40.808 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -5.642 -35.472 40.342 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -5.745 -33.957 40.088 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -0.608 -29.419 43.643 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -0.094 -29.814 42.903 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -0.109 -28.634 43.880 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -2.980 -34.180 42.190 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -3.936 -34.064 42.040 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -2.642 -33.265 42.287 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -1.594 -36.345 43.374 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -2.139 -35.612 43.015 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -1.809 -36.358 44.335 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 2.965 -15.121 1.769 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 2.562 -14.483 2.391 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 3.175 -14.587 0.982 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 1.624 -13.267 3.409 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 1.816 -12.738 4.208 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 0.878 -13.846 3.681 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 0.967 -17.035 1.645 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 0.503 -17.059 0.781 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 1.689 -16.384 1.513 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 1.938 -16.970 4.225 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 1.692 -17.102 3.286 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 1.840 -17.861 4.625 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 1.485 -19.304 5.494 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 0.610 -19.739 5.446 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 1.490 -18.868 6.374 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -0.054 -15.157 4.583 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -0.805 -15.601 4.137 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 0.684 -15.806 4.507 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -0.529 -17.147 -0.711 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 0.025 -17.644 -1.359 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -0.890 -16.416 -1.223 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 1.075 -18.389 -2.533 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 1.344 -19.231 -2.112 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 1.607 -18.349 -3.347 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -6.994 -21.799 7.521 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.305 -21.046 8.077 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -7.320 -22.598 8.003 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 0.033 -16.948 15.188 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 0.501 -16.907 16.047 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -0.525 -16.162 15.186 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -3.412 -10.294 19.911 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -2.621 -10.794 20.221 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -3.388 -9.480 20.421 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -5.330 -12.122 13.554 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -6.152 -11.639 13.650 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -4.937 -12.111 14.450 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.341 -15.311 20.097 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -2.013 -14.470 20.458 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -2.728 -15.773 20.885 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -1.215 -18.649 13.364 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -0.764 -18.121 14.053 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -2.151 -18.672 13.654 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -8.223 -17.473 17.116 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -8.805 -17.249 17.876 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -8.739 -18.126 16.606 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -4.270 -12.170 16.098 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -4.654 -12.000 16.984 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -3.982 -13.108 16.141 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -1.288 -11.641 20.989 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -1.717 -12.349 21.518 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -0.388 -11.584 21.357 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -4.133 -18.834 11.544 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -4.824 -19.513 11.587 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -4.575 -18.026 11.859 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -12.565 -17.417 19.794 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -13.123 -18.160 19.542 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -12.985 -17.067 20.606 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -7.848 -16.656 25.485 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -8.117 -17.315 26.130 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -7.842 -17.141 24.637 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -5.146 -11.996 18.754 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -5.984 -11.724 19.143 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -4.491 -11.348 19.118 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -5.866 -16.010 17.264 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -6.760 -16.407 17.200 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -5.846 -15.602 18.152 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -9.843 -17.106 19.379 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -9.602 -16.665 20.222 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -10.830 -17.121 19.392 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 0.776 -13.623 9.697 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 0.698 -13.712 8.725 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -0.092 -13.955 10.037 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -3.746 -13.724 11.959 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -3.727 -14.437 12.630 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -4.321 -13.038 12.357 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -6.374 -12.691 23.317 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -6.428 -13.283 24.089 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -6.578 -13.271 22.560 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -5.931 -17.011 12.869 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -6.153 -17.408 13.735 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -5.357 -16.254 13.092 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -3.687 -15.651 13.919 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -3.550 -16.612 14.064 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -3.612 -15.263 14.815 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -6.018 -14.630 25.237 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -5.665 -15.212 24.520 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -6.777 -15.138 25.595 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -11.493 -15.006 22.685 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -10.690 -15.462 22.345 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -11.146 -14.242 23.154 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -13.718 -16.452 22.148 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -14.438 -15.851 22.361 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -12.903 -15.947 22.393 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -2.255 -13.703 22.437 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -2.087 -13.522 23.388 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -2.860 -14.480 22.446 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -4.374 -12.418 25.506 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -4.858 -11.998 24.772 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -4.896 -13.231 25.697 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -9.119 -16.130 21.899 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -8.816 -16.823 22.521 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -8.319 -15.571 21.757 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -6.736 -14.871 21.612 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -6.235 -15.445 22.243 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -6.148 -14.808 20.831 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -8.136 -20.830 24.458 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -8.370 -21.242 23.592 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -8.615 -21.360 25.108 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -2.451 -11.149 27.101 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -1.793 -10.935 26.426 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -3.236 -11.437 26.591 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 1.874 -13.155 26.334 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 1.833 -12.302 25.852 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 2.297 -13.769 25.693 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -1.368 -20.820 8.274 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -1.304 -19.838 8.213 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -1.896 -20.968 9.092 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -1.587 -14.574 10.594 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -1.858 -15.504 10.578 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -2.349 -14.110 11.021 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -3.579 -14.797 16.526 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -3.054 -14.928 17.324 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -4.425 -15.279 16.711 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -4.983 -14.656 19.495 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -4.045 -14.886 19.649 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -4.956 -13.715 19.210 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -1.027 -17.297 11.023 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -1.215 -17.885 11.793 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -0.520 -16.568 11.401 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 1.527 -18.002 7.887 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 1.966 -17.146 8.041 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 0.601 -17.855 8.170 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -9.256 -23.864 16.637 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -9.236 -24.832 16.789 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -8.595 -23.720 15.930 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -3.651 -18.276 14.594 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -3.377 -18.723 15.424 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -4.624 -18.384 14.582 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -9.004 -19.971 16.061 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -8.485 -20.281 16.829 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -9.832 -20.500 16.104 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -7.972 -18.542 11.848 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -7.231 -19.169 11.776 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -7.543 -17.703 12.109 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -13.300 -21.820 23.951 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -13.316 -21.884 24.926 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -13.513 -20.881 23.767 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 0.619 -16.456 36.007 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 0.625 -17.433 36.139 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 0.891 -16.101 36.861 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -2.906 -13.835 33.220 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -2.520 -14.050 34.098 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -3.644 -14.461 33.126 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 5.455 -15.922 34.184 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 4.670 -16.235 34.685 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 6.194 -16.007 34.821 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -1.643 -14.766 35.417 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -0.944 -15.401 35.650 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -1.572 -14.066 36.106 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -1.572 -19.661 35.657 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -2.128 -20.377 35.335 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -1.988 -18.850 35.293 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -1.525 -16.108 24.325 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -1.560 -15.191 24.668 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -2.285 -16.158 23.693 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -0.866 -13.179 31.559 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -1.611 -13.177 32.203 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -1.301 -13.046 30.695 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 0.195 -17.213 22.569 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -0.004 -18.147 22.699 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -0.417 -16.748 23.186 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -2.243 -13.119 29.082 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -2.511 -12.306 28.606 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -1.570 -13.526 28.492 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -4.575 -17.349 28.635 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -5.272 -18.015 28.792 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -4.586 -17.218 27.660 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -4.581 -17.530 25.917 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -4.948 -17.029 25.162 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -5.055 -18.397 25.880 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -2.617 -17.488 34.320 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -3.346 -16.844 34.342 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -1.875 -16.988 33.933 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -3.169 -15.504 30.241 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -2.955 -14.659 29.788 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -3.663 -16.021 29.568 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -0.456 -14.145 27.334 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 0.384 -13.697 27.083 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -0.189 -15.075 27.493 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -4.512 -16.121 32.578 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -5.035 -16.899 32.313 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -4.108 -15.811 31.740 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 0.208 -9.871 26.816 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -0.515 -9.786 27.449 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 1.015 -9.912 27.377 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 -1.880 -13.487 25.104 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 -1.460 -13.607 25.986 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 -2.768 -13.116 25.310 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 -1.334 -16.128 32.135 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 -1.988 -15.955 31.418 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 -1.181 -15.251 32.527 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 0.617 -16.661 27.473 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 1.078 -16.733 26.603 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 -0.186 -17.205 27.360 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 1.346 -12.321 36.673 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 1.431 -12.945 35.913 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 2.238 -11.990 36.803 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 -3.324 -21.656 29.568 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -3.032 -20.728 29.413 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -2.538 -22.195 29.328 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 1.652 -16.719 24.962 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 1.296 -16.903 24.077 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 2.282 -15.982 24.817 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 1.033 -19.181 36.326 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 0.113 -19.459 36.111 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 1.463 -20.000 36.644 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -2.453 -19.155 28.878 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -2.020 -18.881 28.048 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -3.166 -18.500 29.000 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -1.852 -17.802 26.459 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -1.559 -17.261 25.695 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -2.828 -17.828 26.366 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -11.941 -21.555 29.993 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -12.143 -22.495 29.893 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -11.177 -21.540 30.595 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 9.280 -44.975 17.185 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 10.193 -45.281 16.972 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 9.237 -45.014 18.146 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 14.312 -40.976 17.167 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 14.620 -40.409 17.922 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 13.891 -41.728 17.598 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 2.624 -42.516 13.666 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 2.571 -41.925 12.880 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 3.580 -42.689 13.773 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 7.331 -44.533 15.279 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 7.590 -45.247 14.691 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 7.999 -44.565 16.003 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 11.659 -40.949 13.461 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 11.857 -40.205 12.854 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 10.695 -41.061 13.390 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 6.665 -45.740 19.608 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 5.851 -45.201 19.482 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 6.942 -45.960 18.713 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 3.623 -41.941 20.702 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 3.503 -41.365 19.914 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 2.772 -41.866 21.185 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 14.392 -41.033 14.321 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 14.381 -41.107 15.294 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 13.463 -41.188 14.057 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 20.288 -46.109 20.154 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 19.720 -46.892 20.269 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 19.842 -45.593 19.469 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 14.372 -48.115 22.571 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 14.853 -48.141 23.417 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 15.024 -47.749 21.944 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 5.307 -42.779 14.460 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 5.885 -42.017 14.268 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 5.928 -43.477 14.769 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 8.143 -41.375 22.184 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 8.387 -40.520 21.777 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 7.178 -41.433 22.064 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 7.380 -39.630 16.911 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 7.079 -39.832 16.005 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 6.609 -39.191 17.332 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 1.092 -41.865 21.891 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 0.518 -41.164 22.228 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 0.893 -42.631 22.466 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 2.889 -40.582 18.395 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 3.341 -40.814 17.552 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 2.590 -39.661 18.254 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 11.787 -38.619 12.004 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 10.914 -38.429 11.608 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 12.355 -37.911 11.679 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 15.832 -38.894 9.377 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 15.254 -39.187 10.095 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 16.598 -39.495 9.431 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 15.897 -39.977 12.181 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 15.785 -39.019 12.350 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 15.436 -40.409 12.933 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 16.761 -46.839 21.704 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 17.281 -47.240 20.975 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 16.997 -45.884 21.667 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 4.398 -44.242 19.275 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 3.900 -44.160 18.456 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 4.092 -43.487 19.818 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 9.842 -48.526 25.910 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 10.585 -48.956 25.436 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 9.997 -48.745 26.852 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 11.863 -45.898 16.883 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 12.736 -45.784 16.501 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 12.002 -46.547 17.612 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 6.709 -45.115 22.287 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 7.638 -44.814 22.413 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 6.698 -45.470 21.367 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 17.660 -43.158 17.723 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 16.876 -43.513 17.295 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 17.310 -42.696 18.520 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 12.143 -49.130 24.522 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 12.681 -49.190 23.722 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 12.284 -48.214 24.837 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 8.964 -40.673 12.550 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 8.790 -41.334 11.872 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 9.053 -39.835 12.051 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 16.638 -41.924 19.931 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 17.327 -41.662 20.569 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 16.205 -41.070 19.677 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 9.919 -40.292 17.440 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 9.914 -41.228 17.677 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 8.963 -40.077 17.289 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 15.167 -34.284 9.829 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 14.973 -33.888 8.958 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 15.760 -35.034 9.625 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 6.754 -40.312 14.226 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 6.475 -39.547 13.678 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 7.614 -40.577 13.837 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 12.442 -47.637 18.874 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 12.354 -47.212 19.759 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 12.409 -48.578 19.063 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 6.290 -38.022 12.704 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 6.753 -37.231 12.370 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 5.553 -37.657 13.249 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 1.682 -39.385 15.081 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 2.348 -40.098 15.136 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 0.825 -39.865 14.956 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 1.138 -43.657 26.606 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 0.764 -43.448 25.727 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 1.893 -44.250 26.408 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 9.182 -43.898 22.460 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 8.886 -43.019 22.149 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 10.166 -43.844 22.419 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 3.091 -45.497 26.072 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 2.762 -46.365 26.394 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 3.659 -45.725 25.307 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 10.951 -42.551 25.060 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 11.288 -43.242 25.665 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 11.240 -42.856 24.163 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 12.320 -46.738 21.438 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 12.327 -45.937 21.983 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 12.969 -47.329 21.877 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 12.796 -46.662 25.470 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 13.076 -46.098 24.711 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 12.383 -46.034 26.091 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 13.606 -45.052 23.423 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 14.481 -44.949 23.025 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 13.111 -44.248 23.126 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 7.245 -56.997 23.242 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 6.627 -57.504 23.770 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 7.104 -56.091 23.514 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 7.718 -35.872 11.505 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 6.987 -35.199 11.520 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 7.967 -35.925 10.553 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 2.514 -38.077 17.336 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 2.630 -37.141 17.071 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 2.137 -38.508 16.537 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 18.974 -46.841 17.301 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 19.160 -46.986 16.350 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 19.369 -45.970 17.486 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 17.454 -44.179 21.437 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 18.127 -43.570 21.787 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 16.888 -43.611 20.882 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 16.498 -47.837 24.312 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 16.752 -47.493 23.428 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 17.290 -47.669 24.872 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 18.220 -47.971 19.643 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 18.088 -48.911 19.489 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 18.412 -47.605 18.745 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 3.736 -44.085 28.331 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 3.576 -44.644 27.543 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 4.053 -44.715 29.010 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 4.040 -40.814 15.932 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 4.245 -41.679 15.520 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 4.694 -40.215 15.553 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 2.484 -40.779 11.564 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 3.241 -40.215 11.297 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 1.712 -40.328 11.193 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 9.174 -38.227 11.113 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 9.008 -38.053 10.176 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 8.670 -37.527 11.576 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 16.872 -36.408 9.397 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 16.403 -37.277 9.363 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 17.487 -36.442 8.632 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 4.287 -38.816 10.904 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 5.097 -38.710 11.436 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 3.794 -37.990 11.053 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 12.422 -46.962 34.049 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 12.592 -47.833 33.612 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 12.162 -47.202 34.959 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 4.906 -45.036 36.253 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 5.867 -44.932 36.436 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 4.795 -45.980 36.115 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 6.781 -42.410 35.047 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 7.355 -41.620 34.862 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 5.871 -42.062 34.982 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 2.418 -47.896 27.305 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 3.256 -47.724 27.807 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 2.428 -48.846 27.150 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 0.241 -44.155 31.301 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 0.892 -44.857 31.503 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 -0.304 -44.098 32.104 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 14.953 -52.361 36.297 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 15.273 -51.562 35.815 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 14.599 -52.924 35.605 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 6.283 -42.246 32.187 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 5.991 -41.298 32.210 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 6.631 -42.407 33.083 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 6.398 -43.507 29.781 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 6.471 -43.028 30.637 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 6.907 -44.312 29.917 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 10.515 -44.760 36.477 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 10.660 -44.036 37.118 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 11.205 -44.609 35.795 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 9.479 -45.901 28.135 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 9.585 -46.831 28.420 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 9.143 -45.970 27.218 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 20.028 -46.194 35.236 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 20.327 -46.557 34.378 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 20.567 -45.391 35.359 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 12.617 -47.081 28.913 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 12.344 -46.242 29.338 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 13.493 -46.872 28.520 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 16.621 -47.854 36.023 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 15.732 -47.753 36.440 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 17.235 -47.844 36.772 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 7.607 -45.049 36.813 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 8.222 -45.247 37.527 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 8.169 -44.690 36.109 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 11.669 -44.535 27.097 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 10.878 -44.994 27.457 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 12.217 -44.364 27.883 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 6.193 -42.545 37.736 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 5.237 -42.653 37.554 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 6.611 -42.600 36.847 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 0.528 -41.017 37.717 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 -0.410 -40.763 37.541 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 0.883 -41.227 36.849 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 14.828 -50.201 40.477 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 14.761 -50.615 41.341 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 14.845 -50.960 39.849 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 3.732 -42.818 39.719 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 2.876 -42.615 40.144 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 3.524 -42.832 38.762 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 4.327 -45.584 30.644 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 3.512 -45.847 31.125 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 4.793 -45.012 31.266 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 12.534 -49.583 30.087 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 12.638 -48.654 29.806 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 13.200 -50.068 29.552 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 13.025 -49.231 32.742 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 12.673 -49.524 31.875 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 13.993 -49.197 32.605 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 14.900 -52.509 39.025 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 14.940 -52.362 38.050 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 14.869 -53.463 39.116 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 1.897 -46.321 31.766 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 1.524 -46.640 30.903 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 1.716 -47.042 32.380 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 6.243 -45.926 26.699 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 7.179 -45.965 26.406 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 5.736 -46.058 25.877 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 5.034 -46.214 24.196 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 5.066 -47.116 23.855 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 5.601 -45.704 23.573 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 4.357 -41.485 42.424 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 4.393 -41.716 43.379 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 3.592 -40.880 42.352 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 11.586 -47.313 36.718 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 10.902 -47.910 37.042 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 11.150 -46.433 36.703 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 11.445 -42.524 37.707 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 12.285 -42.740 38.167 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 11.727 -42.096 36.890 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 10.327 -48.542 28.635 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 11.162 -48.025 28.638 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 10.523 -49.305 29.203 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 4.269 -41.330 34.744 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 4.783 -40.489 34.611 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 3.927 -41.533 33.865 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 8.383 -42.400 41.337 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 8.687 -41.935 40.519 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 7.956 -43.221 40.998 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 15.079 -46.344 27.982 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 15.070 -47.072 27.323 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 15.856 -45.798 27.727 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 0.809 -47.032 29.422 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 0.195 -46.357 29.070 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 1.259 -47.383 28.629 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 12.079 -44.670 30.042 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 11.231 -44.602 30.493 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 12.724 -44.857 30.767 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 3.154 -52.436 35.334 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 2.638 -53.210 35.104 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 3.750 -52.741 36.019 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 15.729 -48.922 32.279 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 16.549 -48.656 32.742 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 15.817 -48.514 31.393 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 4.718 -47.283 28.523 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 5.396 -46.841 27.967 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 4.731 -46.781 29.363 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 2.125 -39.898 41.884 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 1.693 -39.091 41.530 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 1.767 -40.621 41.325 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 5.599 -42.595 22.515 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 4.892 -42.318 21.888 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 5.847 -43.494 22.213 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 7.229 -41.272 44.133 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 7.526 -41.970 43.535 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 7.278 -40.456 43.591 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 14.031 -43.142 38.685 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 14.225 -42.732 39.536 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 14.597 -43.941 38.669 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 8.693 -46.135 25.491 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 9.060 -47.056 25.512 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 9.010 -45.774 24.652 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 10.529 -41.581 42.854 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 9.767 -41.909 42.333 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 11.275 -41.646 42.251 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 6.865 -44.107 39.880 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 6.735 -43.771 38.967 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 6.022 -44.529 40.098 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 15.682 -45.357 38.496 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 15.556 -45.963 39.262 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 15.290 -45.847 37.747 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 17.388 -45.027 27.359 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 17.401 -44.174 26.869 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 18.174 -44.977 27.948 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 14.778 -48.480 26.333 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 15.426 -48.396 25.598 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 13.962 -48.065 25.980 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 13.716 -45.515 32.080 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 14.676 -45.633 32.192 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 13.319 -46.139 32.724 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 3.557 -42.784 36.968 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 3.671 -42.177 36.204 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 3.848 -43.660 36.623 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 15.277 -47.566 40.078 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 15.933 -47.384 40.781 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 15.071 -48.526 40.188 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 19.324 -47.374 37.494 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 19.664 -48.273 37.415 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 19.512 -46.965 36.609 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 15.795 -50.270 34.758 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 15.626 -50.017 33.833 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 16.092 -49.444 35.180 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 17.839 -47.731 33.566 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 17.489 -47.724 34.484 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 17.517 -46.889 33.180 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 13.278 -37.328 48.052 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 12.526 -36.844 48.427 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 12.866 -38.101 47.618 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 6.677 -37.834 47.878 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 6.378 -37.052 48.385 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 5.861 -38.364 47.753 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 14.236 -38.256 44.642 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 13.613 -37.546 44.903 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 15.112 -37.865 44.776 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 14.918 -35.853 46.296 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 14.395 -35.092 45.940 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 14.324 -36.261 46.959 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 14.289 -47.448 37.368 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 14.332 -47.725 38.305 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 13.337 -47.522 37.138 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 11.451 -39.489 47.024 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 10.771 -39.203 47.679 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 10.923 -39.839 46.278 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 16.482 -39.941 47.477 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 16.269 -39.438 48.290 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 15.605 -40.257 47.154 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 9.349 -38.498 48.439 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 8.397 -38.372 48.259 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 9.663 -37.607 48.703 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 14.020 -40.334 46.395 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 14.049 -39.701 45.646 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 13.118 -40.229 46.759 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 14.773 -42.796 44.262 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 14.037 -42.470 44.793 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 15.568 -42.625 44.825 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 7.948 -39.088 42.516 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 8.699 -38.777 43.044 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 7.642 -38.285 42.039 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 4.634 -38.859 44.515 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 5.558 -38.559 44.625 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 4.271 -38.265 43.845 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 3.718 -42.260 47.678 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 2.936 -41.713 47.828 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 3.850 -42.722 48.511 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 7.002 -37.542 45.161 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 7.011 -37.625 46.139 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 7.946 -37.464 44.921 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 9.715 -37.517 44.474 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 9.764 -38.450 44.784 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 10.593 -37.143 44.711 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 1.997 -40.654 44.581 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 1.984 -40.284 43.673 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 2.906 -41.011 44.682 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 4.199 -38.861 47.217 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 4.331 -38.984 46.247 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 3.317 -39.247 47.386 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 4.503 -41.899 45.084 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 4.339 -42.089 46.034 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 5.435 -41.607 45.054 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 9.660 -40.204 45.007 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 8.765 -40.592 45.083 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 10.081 -40.715 44.274 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 16.072 -41.702 41.979 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 15.689 -40.954 41.442 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 15.443 -41.807 42.725 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 9.883 -35.006 43.021 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 9.633 -35.770 43.579 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 10.618 -35.339 42.483 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 -0.587 -41.380 45.352 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 0.303 -41.238 44.971 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 -0.496 -41.112 46.269 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 16.983 -42.093 45.623 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 17.701 -41.911 44.988 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 17.110 -41.432 46.326 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 17.383 -46.681 41.707 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 17.812 -46.284 40.922 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 16.884 -45.931 42.110 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 15.973 -37.901 49.275 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 15.073 -37.611 49.034 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 16.175 -37.402 50.095 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 1.555 -39.665 47.065 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 1.260 -38.738 46.944 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 1.665 -40.003 46.149 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 12.558 -37.281 42.309 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 12.889 -38.046 42.802 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 13.018 -37.347 41.432 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 16.858 -37.707 45.976 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 16.673 -38.544 46.458 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 16.220 -37.065 46.354 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 4.133 -22.409 -0.883 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 4.080 -23.257 -0.387 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 4.710 -22.613 -1.643 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 13.466 -20.973 -1.204 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 13.351 -21.754 -0.620 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 14.287 -21.170 -1.706 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 12.643 -22.220 5.160 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 13.623 -22.208 5.184 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 12.429 -22.566 4.273 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 6.158 -27.032 -1.749 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 5.425 -26.578 -2.197 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 5.774 -27.873 -1.464 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 7.996 -22.310 -0.161 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 8.499 -22.528 0.656 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 8.005 -23.130 -0.669 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 16.307 -23.413 -4.202 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 16.064 -22.671 -3.595 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 17.270 -23.406 -4.207 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 14.685 -25.553 -3.510 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 15.253 -24.774 -3.690 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 14.775 -26.097 -4.299 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 18.891 -23.553 0.150 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 19.275 -24.041 -0.586 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 19.427 -23.829 0.927 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 12.799 -31.365 5.026 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 13.325 -30.731 4.493 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 12.998 -31.126 5.948 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 8.883 -19.991 -3.108 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 9.810 -20.315 -3.035 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 8.488 -20.555 -3.806 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 13.262 -25.673 -1.188 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 13.898 -25.667 -1.943 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 12.425 -25.923 -1.590 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 9.431 -22.615 2.126 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 8.804 -23.226 2.577 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 10.307 -22.915 2.420 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 7.383 -27.924 3.107 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 6.847 -27.537 2.377 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 6.854 -28.688 3.413 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 9.907 -22.211 -5.036 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 10.532 -21.847 -4.377 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 10.450 -22.784 -5.586 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 6.049 -26.732 0.988 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 6.505 -26.556 0.140 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 5.396 -27.435 0.761 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 2.155 -20.616 -1.323 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 1.338 -20.815 -0.806 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 2.761 -21.365 -1.112 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 17.868 -23.382 5.949 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 18.607 -23.526 6.576 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 18.014 -24.048 5.245 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 11.504 -20.929 -3.158 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 12.118 -20.648 -3.874 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 12.072 -20.960 -2.360 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 4.188 -24.213 -3.778 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 3.915 -24.936 -3.170 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 3.708 -24.395 -4.590 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 16.603 -31.290 8.219 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 15.822 -30.894 8.629 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 16.253 -32.079 7.762 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 7.069 -31.623 6.718 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 7.613 -31.143 7.369 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 6.852 -32.460 7.164 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 13.982 -29.313 3.657 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 14.862 -29.338 3.264 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 13.474 -28.706 3.067 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 4.266 -22.622 4.285 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 4.970 -23.101 3.831 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 4.232 -21.758 3.827 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 12.236 -23.642 2.691 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 12.445 -23.438 1.754 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 13.083 -23.998 3.049 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 3.486 -26.124 -2.017 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 2.898 -26.846 -1.723 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 3.688 -25.632 -1.194 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 4.678 -30.384 2.084 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 4.457 -31.319 2.068 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 5.186 -30.272 2.914 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 7.839 -24.607 3.167 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 8.694 -24.928 3.529 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 7.328 -25.413 3.015 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 13.532 -23.352 0.228 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 14.458 -23.411 0.505 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 13.381 -24.187 -0.277 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 12.209 -20.531 7.215 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 11.694 -19.789 6.871 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 12.333 -21.121 6.432 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 7.388 -21.149 -5.056 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 7.327 -20.432 -5.726 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 8.211 -21.631 -5.295 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 7.608 -18.733 -6.528 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 7.570 -18.122 -7.292 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 8.187 -18.277 -5.889 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 12.751 -27.630 1.891 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 12.880 -27.178 1.048 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 11.777 -27.704 1.980 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 10.517 -30.256 3.893 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 11.284 -30.700 4.319 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 10.223 -30.899 3.206 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 15.850 -21.277 -2.604 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 15.843 -20.408 -3.069 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 16.485 -21.148 -1.859 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 5.975 -22.347 -2.985 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 5.404 -23.071 -3.341 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 6.423 -21.987 -3.782 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 -0.492 -25.421 10.188 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 -0.550 -24.724 9.499 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 -0.530 -24.924 11.033 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 14.730 -24.099 3.651 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 15.035 -23.425 4.293 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 15.339 -23.994 2.891 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 6.017 -30.070 4.517 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 5.392 -29.728 5.170 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 6.582 -30.686 5.033 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 10.097 -27.848 2.598 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 10.320 -28.711 3.012 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 9.117 -27.837 2.585 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 13.262 -30.692 7.775 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 13.292 -29.776 7.418 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 12.506 -30.682 8.401 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 10.376 -25.350 3.755 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 10.454 -26.247 3.365 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 11.124 -24.853 3.367 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 8.284 -35.858 8.866 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 9.006 -35.644 8.268 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 7.576 -35.217 8.624 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 9.887 -32.159 2.008 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 9.791 -32.172 1.051 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 9.995 -33.085 2.249 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 4.217 -19.185 -2.359 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 3.467 -19.724 -2.021 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 3.895 -18.841 -3.218 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 17.491 -21.205 -0.457 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 17.402 -20.826 0.440 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 18.092 -21.965 -0.335 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 17.968 -25.028 3.675 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 17.918 -25.857 4.200 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 18.855 -25.060 3.259 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 16.694 -23.502 1.803 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 17.144 -24.084 2.461 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 17.296 -23.512 1.029 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 4.348 -28.595 0.033 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 3.405 -28.537 -0.223 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 4.371 -29.301 0.719 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 14.865 -26.232 5.430 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 15.173 -25.665 6.175 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 14.769 -25.610 4.679 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 15.880 -24.859 7.500 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 15.873 -25.559 8.194 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 16.799 -24.555 7.482 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 14.847 -22.287 -6.275 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 15.395 -22.413 -7.054 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 15.314 -22.778 -5.570 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 2.509 -29.744 11.880 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 2.471 -30.318 11.088 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 2.226 -30.329 12.608 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 8.494 -30.435 8.859 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 9.447 -30.612 8.994 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 8.068 -30.798 9.667 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 18.767 -32.601 9.590 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 18.044 -32.094 9.172 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 19.481 -32.603 8.916 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 11.654 -32.905 11.328 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 12.465 -33.360 11.650 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 10.920 -33.398 11.749 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 6.482 -33.819 8.587 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 5.542 -33.731 8.332 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 6.459 -33.790 9.570 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 2.349 -31.508 9.773 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 1.548 -32.027 9.988 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 2.992 -32.184 9.462 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 5.720 -29.205 11.799 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 5.625 -29.387 12.761 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 6.301 -29.914 11.481 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 7.141 -28.333 7.542 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 7.478 -29.032 8.136 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 7.601 -28.499 6.697 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 11.239 -30.763 9.717 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 11.380 -31.631 10.175 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 11.419 -30.108 10.400 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 13.408 -28.424 6.206 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 13.453 -28.828 5.316 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 13.932 -27.602 6.114 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 17.310 -27.019 11.603 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 17.134 -27.536 12.397 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 17.067 -26.093 11.860 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 0.895 -27.699 9.487 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 0.440 -26.906 9.845 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 0.270 -28.442 9.686 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 13.914 -34.231 12.230 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 14.373 -34.185 11.358 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 14.471 -34.815 12.760 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 9.345 -34.562 15.388 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 9.789 -33.880 15.926 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 9.024 -35.212 16.042 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 7.554 -31.609 11.214 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 6.879 -32.323 11.186 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 8.288 -32.001 11.708 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 3.057 -29.111 8.508 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 2.147 -28.759 8.555 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 2.964 -30.045 8.794 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 3.190 -24.797 8.624 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 3.873 -25.473 8.419 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 2.415 -25.071 8.082 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 4.805 -27.029 8.286 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 5.694 -27.338 7.994 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 4.225 -27.811 8.144 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 8.863 -28.583 5.390 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 8.392 -28.228 4.609 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 9.430 -29.296 5.020 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 15.427 -22.151 5.424 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 16.009 -21.442 5.094 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 16.026 -22.719 5.953 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 16.336 -24.614 12.365 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 16.559 -23.883 12.978 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 15.884 -24.174 11.619 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 15.977 -27.027 9.153 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 16.458 -27.713 8.653 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 16.399 -27.030 10.034 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 14.617 -33.067 7.362 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 14.076 -32.276 7.582 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 14.291 -33.341 6.495 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 20.899 -33.101 7.883 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 21.096 -34.045 8.063 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 21.617 -32.813 7.314 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 4.194 -36.935 14.007 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 4.191 -36.100 13.481 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 3.264 -37.059 14.257 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 15.870 -37.202 12.187 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 16.026 -36.738 11.353 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 16.734 -37.157 12.650 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 3.825 -33.716 9.191 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 3.107 -34.371 9.041 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 4.257 -34.017 10.013 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 9.567 -34.038 12.717 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 9.447 -34.204 13.682 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 8.954 -34.666 12.292 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 18.154 -21.517 37.373 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 17.866 -21.518 36.420 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 18.655 -20.688 37.464 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 13.546 -28.037 38.084 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 13.471 -28.926 38.496 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 14.387 -28.067 37.600 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 13.591 -22.569 33.724 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 12.657 -22.809 33.731 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 13.734 -22.126 34.582 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 4.527 -29.516 37.009 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 4.035 -29.016 36.317 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 3.928 -30.248 37.243 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 7.702 -22.423 39.520 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 8.102 -23.005 40.199 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 8.263 -21.622 39.536 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 3.317 -25.055 34.452 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 3.124 -25.144 33.511 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 3.297 -25.983 34.788 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 20.759 -21.991 40.932 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 21.008 -22.579 40.187 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 21.492 -22.068 41.547 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 4.631 -24.132 36.875 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 4.814 -25.024 37.254 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 4.109 -24.323 36.078 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 18.339 -20.697 41.078 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 17.663 -21.367 41.313 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 19.173 -21.216 40.999 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 4.661 -26.762 37.323 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 4.204 -27.026 36.494 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 4.735 -27.589 37.820 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 16.423 -27.546 36.545 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 16.475 -28.051 35.726 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 17.089 -27.973 37.133 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 0.985 -26.960 37.450 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 0.294 -26.634 36.845 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 1.365 -27.740 36.981 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 11.870 -24.324 39.654 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 11.916 -23.631 38.956 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 12.603 -24.095 40.261 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 17.902 -25.304 35.865 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 17.280 -24.638 35.494 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 17.333 -26.071 36.072 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 15.968 -23.541 35.070 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 15.349 -23.512 34.320 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 16.539 -22.732 34.945 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 4.996 -22.018 38.509 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 4.925 -22.810 37.921 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 5.881 -22.097 38.913 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 9.396 -24.175 40.836 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 9.534 -24.433 41.775 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 10.301 -24.206 40.447 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 13.566 -23.078 41.546 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 13.520 -23.579 42.390 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 12.780 -22.486 41.575 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 2.043 -24.384 40.855 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 1.427 -24.209 41.572 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 1.900 -25.341 40.642 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 11.172 -26.745 38.444 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 11.491 -25.921 38.867 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 11.992 -27.218 38.191 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 6.314 -26.330 41.723 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 7.131 -25.828 41.802 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 5.666 -25.678 41.376 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 12.515 -26.627 42.552 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 12.946 -26.642 41.672 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 12.980 -25.906 43.031 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 0.889 -30.261 41.624 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 1.502 -29.499 41.624 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 1.353 -30.931 41.083 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 2.238 -34.216 40.079 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 1.543 -34.743 39.654 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 2.612 -34.819 40.763 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 7.195 -36.800 41.187 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 7.243 -36.205 40.412 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 7.036 -36.195 41.937 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 17.222 -27.001 39.808 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 17.759 -27.562 39.207 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 16.807 -26.340 39.212 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 19.101 -23.985 37.983 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 18.716 -24.503 37.250 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 18.742 -23.082 37.850 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 14.172 -26.532 40.323 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 14.699 -25.907 39.776 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 13.745 -27.114 39.664 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 17.425 -31.047 41.229 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 16.875 -30.235 41.340 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 17.585 -31.097 40.262 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 2.729 -31.495 40.062 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 2.660 -32.474 40.124 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 2.597 -31.308 39.105 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 4.794 -24.183 40.796 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 3.830 -24.336 40.879 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 4.860 -23.437 40.187 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 12.306 -22.150 38.053 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 13.117 -22.047 37.514 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 12.419 -21.517 38.772 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 15.956 -22.535 38.669 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 16.142 -22.458 39.624 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 16.714 -22.082 38.240 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 5.131 -19.403 37.490 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 4.816 -19.525 36.571 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 5.000 -20.279 37.906 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 4.379 -19.702 34.816 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 3.927 -20.558 34.647 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 5.192 -19.751 34.277 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 6.332 -22.463 34.931 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 6.480 -21.654 34.404 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 5.365 -22.508 35.034 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 14.331 -21.553 36.240 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 14.974 -22.289 36.180 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 14.880 -20.784 36.539 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 15.611 -25.198 38.406 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 15.707 -24.218 38.484 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 15.569 -25.355 37.452 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 8.453 -32.117 46.656 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 8.291 -31.166 46.542 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 8.652 -32.435 45.750 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 11.016 -32.348 47.545 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 11.507 -32.282 46.687 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 10.076 -32.268 47.287 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 16.844 -33.482 47.298 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 17.318 -34.229 47.721 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 17.569 -32.874 47.010 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 11.431 -28.276 44.508 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 11.751 -27.746 43.746 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 12.178 -28.886 44.703 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 14.621 -30.696 49.350 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 13.838 -30.766 49.921 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 14.578 -31.501 48.787 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.107 -28.975 47.811 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 13.822 -29.382 48.340 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 13.283 -29.282 46.896 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 13.558 -29.881 45.219 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 13.068 -30.743 45.207 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 14.466 -30.119 44.950 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 3.485 -36.274 47.818 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 4.257 -35.845 48.228 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 3.800 -37.175 47.602 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 11.705 -30.638 49.578 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 12.004 -29.863 49.070 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 11.476 -31.297 48.890 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 5.149 -36.058 43.695 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 5.741 -35.333 43.402 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 5.673 -36.531 44.370 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 5.934 -35.480 49.145 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 5.770 -35.205 50.054 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 6.750 -34.989 48.890 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 9.525 -32.534 44.157 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 9.668 -33.430 43.781 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 10.424 -32.258 44.460 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 6.211 -32.007 42.006 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 6.629 -31.347 42.595 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 5.440 -31.548 41.647 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 8.251 -34.005 48.744 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 8.724 -33.502 49.445 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 8.216 -33.382 47.987 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 11.398 -27.015 46.951 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 11.988 -27.587 47.489 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 11.343 -27.475 46.090 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 11.638 -24.577 45.787 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 11.450 -23.913 46.460 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 11.583 -25.436 46.273 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 16.226 -24.460 44.479 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 16.444 -24.881 43.619 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 16.955 -23.855 44.637 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 10.312 -24.973 43.290 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 10.635 -24.787 44.193 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 10.914 -25.666 42.962 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 7.735 -30.451 43.767 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 8.096 -29.850 44.456 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 8.334 -31.227 43.793 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 12.229 -36.329 44.808 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 12.369 -36.455 43.841 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 12.571 -35.425 44.986 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 7.148 -34.507 42.733 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 6.845 -33.615 42.438 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 8.116 -34.424 42.798 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 9.964 -32.693 50.526 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 10.757 -33.252 50.475 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 10.315 -31.785 50.515 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 5.652 -28.960 42.402 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 6.375 -29.250 42.985 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 5.888 -28.034 42.168 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 11.198 -21.712 41.499 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 10.675 -21.205 40.845 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 10.537 -22.075 42.098 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 7.233 -28.944 37.285 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 7.140 -28.828 38.232 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 6.328 -29.170 36.982 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 13.599 -24.527 43.870 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 12.993 -24.489 44.643 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 14.502 -24.501 44.269 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 9.032 -29.052 45.689 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 8.965 -28.390 46.387 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 9.839 -28.796 45.191 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 16.447 -25.434 41.921 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 15.543 -25.759 41.766 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 16.994 -25.945 41.285 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 16.351 -30.256 44.340 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 16.923 -29.886 45.052 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 16.403 -29.600 43.628 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 17.254 -29.859 48.858 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 16.327 -30.028 49.118 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 17.775 -30.464 49.431 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 15.956 -28.747 41.480 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 15.038 -28.449 41.407 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 16.460 -28.107 40.930 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 18.587 -31.654 50.447 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 19.417 -31.584 50.920 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 18.350 -32.606 50.517 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 12.197 -34.009 49.288 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 11.706 -33.459 48.634 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 13.134 -33.839 49.074 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 16.691 -36.529 51.621 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 16.064 -36.309 52.317 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 17.407 -37.026 52.091 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 18.647 -37.679 53.070 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 19.347 -37.107 52.679 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 19.125 -38.275 53.652 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 1.103 -35.982 43.926 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 1.086 -35.020 43.878 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 0.203 -36.253 43.639 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 10.281 -35.962 48.980 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 11.002 -35.339 49.202 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 9.500 -35.387 48.863 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 14.258 -32.934 47.769 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 13.849 -33.142 46.899 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 15.208 -33.168 47.649 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 3.057 -36.078 41.926 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 3.854 -36.053 42.501 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 2.329 -36.274 42.544 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 10.027 -12.261 -8.083 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 10.265 -11.896 -8.942 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 9.092 -11.964 -7.945 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 12.295 -12.105 -3.194 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 12.077 -12.347 -4.121 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 12.078 -11.150 -3.143 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 5.554 -8.532 -1.879 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 5.384 -7.850 -2.535 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 5.369 -9.358 -2.339 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 11.718 -9.407 -3.123 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 12.033 -8.585 -3.517 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 11.708 -9.224 -2.156 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 17.515 -16.953 0.792 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 17.923 -17.828 0.789 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 18.222 -16.357 1.123 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 9.266 -17.659 -4.547 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 10.210 -17.746 -4.811 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 9.127 -18.396 -3.918 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 13.392 -20.297 -5.032 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 13.764 -21.002 -5.608 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 14.185 -19.844 -4.671 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 7.399 -12.406 -4.967 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 8.076 -11.871 -4.511 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 7.537 -13.307 -4.629 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 19.429 -15.124 1.728 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 19.283 -14.410 2.388 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 20.349 -15.387 1.867 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 8.973 -10.062 -1.488 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 9.048 -10.323 -2.429 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 9.863 -9.726 -1.260 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 16.246 -16.326 -4.129 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 16.525 -16.108 -3.211 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 16.648 -15.641 -4.667 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 7.049 -15.537 -2.046 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 6.164 -15.945 -1.980 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 7.213 -15.466 -3.013 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 12.875 -16.099 -2.971 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 13.499 -15.442 -2.599 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 13.091 -16.925 -2.493 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 18.416 -11.627 1.224 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 18.907 -11.944 2.012 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 18.455 -10.666 1.291 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 7.453 -11.650 -7.575 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 6.553 -11.616 -7.910 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 7.350 -11.914 -6.631 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 7.144 -9.008 0.356 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 7.797 -9.349 -0.283 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 6.426 -8.657 -0.209 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 2.633 -12.313 0.974 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 3.146 -11.540 1.230 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 2.144 -12.556 1.788 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 16.368 -13.225 2.147 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 16.813 -14.084 2.160 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 17.011 -12.627 1.714 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 6.388 -13.608 -0.249 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 6.759 -14.103 -1.007 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 7.084 -12.947 -0.029 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 8.047 -15.228 -4.611 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 8.488 -16.106 -4.525 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 8.244 -14.958 -5.531 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.295 -12.505 -5.686 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 10.973 -12.306 -6.596 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.488 -13.469 -5.707 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 15.933 -10.779 -3.621 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 15.889 -10.021 -4.213 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 16.692 -11.282 -3.934 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 6.331 -15.934 1.146 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 6.404 -15.009 0.822 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 5.703 -16.350 0.519 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 8.534 -12.065 0.281 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 8.624 -11.582 1.126 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 8.655 -11.373 -0.403 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 11.698 -15.194 -5.433 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 11.699 -16.104 -5.788 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 12.106 -15.290 -4.549 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 9.617 -10.963 -4.112 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 10.069 -11.558 -4.747 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 10.248 -10.230 -3.988 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 5.895 -15.490 -10.138 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 6.388 -16.146 -10.676 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 5.188 -15.194 -10.716 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 11.736 -10.148 3.015 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 12.353 -10.265 3.766 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 12.257 -10.418 2.236 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 8.915 -12.792 3.914 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 8.986 -11.929 3.464 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 8.171 -12.679 4.532 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 12.981 -11.181 0.756 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 13.173 -11.946 1.342 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 13.625 -11.280 0.019 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 11.416 -9.278 -0.414 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 11.373 -8.619 0.291 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 11.949 -10.010 -0.024 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 4.689 -16.622 -1.006 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 4.086 -17.292 -1.370 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 4.149 -15.794 -0.987 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 11.959 -17.921 -5.061 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 12.519 -17.493 -4.391 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 12.402 -18.780 -5.230 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 9.294 -14.756 -7.049 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 9.481 -13.919 -7.521 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 10.124 -14.954 -6.580 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 14.480 -14.471 -1.459 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 15.381 -14.859 -1.559 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 14.641 -13.504 -1.401 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 13.688 -13.325 2.319 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 13.645 -14.222 1.910 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 14.653 -13.108 2.304 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 14.411 -11.735 -1.553 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 13.667 -11.897 -2.173 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 15.096 -11.307 -2.114 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 10.782 -5.076 6.471 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 11.019 -5.089 5.537 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 10.784 -4.141 6.705 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 2.290 -12.009 5.852 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 3.144 -11.852 5.389 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 2.304 -11.371 6.597 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 6.882 -12.735 5.915 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 6.449 -12.255 6.648 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 7.673 -13.144 6.334 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 13.681 -10.727 4.986 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 14.656 -10.642 5.064 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 13.355 -10.520 5.883 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 9.022 -10.407 2.476 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 9.955 -10.225 2.751 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 8.708 -9.558 2.120 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 19.206 -12.992 3.494 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 18.556 -12.598 4.092 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 20.006 -13.116 4.058 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 20.951 -10.275 7.937 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 21.042 -9.850 8.795 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 21.794 -10.761 7.819 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 16.919 -15.650 -1.580 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 17.552 -14.917 -1.395 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 17.044 -16.265 -0.826 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 18.494 -13.713 -0.577 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 18.949 -14.222 0.116 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 18.409 -12.817 -0.196 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 0.927 -14.103 6.938 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 1.338 -13.293 6.561 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 0.414 -14.481 6.187 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 3.717 -14.087 -0.796 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 4.634 -13.757 -0.690 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 3.160 -13.350 -0.467 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 15.390 -18.879 -3.819 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 15.820 -18.058 -4.147 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 14.893 -18.584 -3.026 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 2.950 -18.200 -4.649 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 2.970 -17.276 -4.934 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 3.140 -18.700 -5.455 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 7.574 -17.484 -11.037 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 8.110 -18.217 -11.351 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 7.821 -17.389 -10.095 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 13.967 -18.286 -1.579 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 13.690 -19.213 -1.401 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 14.203 -17.942 -0.709 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 7.722 -16.622 -8.391 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 7.009 -16.086 -8.804 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 8.287 -15.961 -7.940 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 13.241 -13.692 14.854 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 14.214 -13.602 14.934 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 12.932 -13.711 15.783 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 8.837 -13.571 17.667 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 9.565 -12.965 17.922 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 8.031 -13.152 18.049 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 -1.949 -10.855 15.163 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 -2.197 -9.962 15.418 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 -2.738 -11.391 15.376 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 10.883 -11.812 18.388 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 11.461 -11.791 17.617 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 11.496 -11.680 19.148 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 3.467 -13.519 10.088 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 3.654 -12.566 10.233 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 2.481 -13.564 10.062 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 1.486 -11.687 11.743 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 0.943 -12.315 11.234 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 1.043 -11.638 12.619 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 5.356 -9.556 17.665 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 4.456 -9.289 17.867 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 5.753 -9.741 18.544 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 15.749 -13.432 15.893 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 16.258 -14.241 15.643 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 16.410 -12.723 15.863 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 4.169 -15.518 12.009 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 3.920 -14.942 11.262 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 4.053 -14.949 12.793 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 18.901 -12.324 20.054 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 19.004 -13.017 19.383 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 19.501 -11.608 19.747 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 1.567 -16.858 17.500 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 2.209 -16.177 17.794 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 0.981 -16.984 18.284 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 14.994 -10.161 13.229 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 15.906 -10.524 13.343 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 15.073 -9.240 13.492 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 6.406 -12.640 18.494 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 6.223 -11.803 18.963 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 5.899 -13.307 18.994 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 17.484 -11.177 13.524 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 17.863 -11.538 12.699 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 17.922 -11.695 14.233 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 13.297 -9.951 7.685 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 12.576 -9.788 8.329 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 13.715 -9.087 7.577 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 14.712 -13.239 20.086 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 15.517 -12.783 20.377 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 14.831 -14.163 20.406 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 3.629 -10.746 10.502 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 2.846 -11.027 11.041 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 4.029 -10.022 11.029 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 4.845 -8.568 14.816 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 5.108 -8.071 15.600 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 5.203 -9.466 14.972 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 6.018 -11.033 15.331 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 5.943 -10.680 16.245 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 6.442 -11.912 15.450 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 12.099 -13.582 10.516 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 12.496 -13.069 11.245 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 11.313 -13.060 10.254 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 3.619 -12.995 22.184 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 2.716 -12.612 22.185 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 4.204 -12.231 22.389 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 5.238 -10.992 7.472 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 5.115 -10.807 6.523 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 4.378 -10.756 7.870 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 14.727 -15.839 21.011 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 13.950 -15.516 21.527 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 14.347 -16.488 20.393 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 16.385 -10.836 5.843 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 16.113 -11.097 6.746 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 17.359 -10.833 5.879 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 4.734 -15.155 16.164 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 4.225 -15.023 16.988 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 4.231 -14.659 15.490 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 3.208 -14.847 18.523 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 3.978 -14.830 19.140 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 2.557 -14.276 18.948 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 -1.223 -18.080 8.457 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 -1.215 -17.867 9.424 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 -1.835 -17.436 8.079 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 12.777 -11.296 20.313 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 13.414 -12.041 20.260 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 13.353 -10.495 20.351 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 6.134 -13.931 9.660 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 5.170 -13.778 9.728 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 6.514 -13.032 9.574 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 1.001 -12.134 22.587 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 0.538 -12.870 23.007 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 1.256 -11.550 23.338 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 6.970 -13.612 15.585 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 7.652 -13.671 16.286 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 6.256 -14.208 15.897 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 11.560 -8.931 9.650 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 12.049 -8.310 10.204 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 10.943 -8.354 9.134 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 14.775 -9.463 20.424 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 15.230 -8.622 20.523 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 15.455 -10.132 20.644 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 8.748 -11.176 20.024 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 9.342 -10.965 20.780 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 9.361 -11.283 19.268 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 13.562 -15.891 9.969 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 14.392 -15.785 10.471 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 13.023 -15.117 10.230 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 0.575 -11.577 14.344 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 0.983 -11.030 15.020 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 -0.393 -11.467 14.500 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 11.218 -10.424 12.133 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 12.070 -10.885 12.249 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 11.294 -9.998 11.262 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 7.975 -11.732 23.102 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 7.873 -12.498 22.494 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 8.849 -11.358 22.868 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 17.624 -13.343 7.628 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 18.191 -12.682 7.172 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 16.908 -12.808 8.025 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 18.268 -9.234 22.357 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 18.291 -8.452 22.963 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 19.084 -9.135 21.812 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 13.505 -13.657 17.569 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 14.377 -13.573 17.133 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 13.711 -13.590 18.520 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 4.456 -8.650 12.135 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 4.324 -7.740 11.847 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 4.465 -8.591 13.122 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 4.706 -11.544 4.677 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 5.482 -12.084 4.919 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 4.991 -11.074 3.859 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 6.406 -10.566 12.290 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 6.432 -10.694 13.253 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 5.773 -9.830 12.165 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 6.135 -10.396 20.163 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 7.110 -10.517 20.240 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 5.813 -10.452 21.085 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 0.082 -16.738 19.822 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 0.273 -16.859 20.776 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 -0.776 -16.272 19.809 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 15.375 -11.746 8.241 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 14.573 -11.188 8.154 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 15.333 -12.084 9.166 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 10.135 -7.098 8.226 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 10.461 -6.397 7.619 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 9.177 -7.048 8.150 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 2.542 -10.320 8.052 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 2.841 -10.484 8.975 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 1.760 -9.765 8.154 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 18.549 -12.917 15.353 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 18.247 -13.854 15.404 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 19.235 -12.849 16.045 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 3.007 -15.463 8.072 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 3.265 -14.868 8.801 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 2.221 -15.024 7.672 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 6.146 -10.432 2.605 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 6.189 -9.897 1.788 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 7.074 -10.589 2.828 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 9.464 -11.156 26.821 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 10.223 -11.335 27.410 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 8.985 -10.418 27.264 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 1.883 -10.842 24.846 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 1.303 -10.303 25.429 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 2.793 -10.572 25.095 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 9.925 -11.913 9.826 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 8.953 -11.908 9.705 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 10.221 -11.111 9.376 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 7.708 -13.541 21.089 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 7.978 -12.759 20.564 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 8.263 -14.274 20.730 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 7.154 -11.387 9.739 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 6.583 -10.936 9.086 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 6.874 -11.012 10.606 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 10.530 -10.929 22.035 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 10.843 -10.967 22.969 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 11.349 -11.023 21.505 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 5.181 -14.321 20.364 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 4.603 -13.951 21.067 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 6.088 -14.234 20.732 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 9.163 -15.399 19.784 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 9.278 -16.338 19.598 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 9.213 -14.970 18.906 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 14.713 -12.446 23.400 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 15.565 -12.673 23.831 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 14.969 -11.885 22.656 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 15.376 -12.917 10.731 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 15.494 -13.877 10.906 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 14.672 -12.646 11.354 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 19.151 -11.501 6.283 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 19.626 -10.872 6.879 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 19.870 -12.058 5.913 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 13.366 -12.171 12.558 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 13.955 -11.426 12.845 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 13.270 -12.723 13.368 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 19.115 -10.911 24.355 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 19.384 -11.659 23.784 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 18.751 -10.250 23.725 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 19.363 -13.050 22.675 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 18.513 -13.397 22.987 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 19.198 -12.822 21.731 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 16.012 -15.538 11.281 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 16.845 -15.831 10.893 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 16.052 -15.875 12.214 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 16.706 -11.218 21.289 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 17.427 -11.633 20.769 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 17.156 -10.493 21.783 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 3.227 -14.562 24.449 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 4.074 -14.513 24.960 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 3.436 -14.125 23.595 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 3.675 -13.525 14.128 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 4.239 -12.755 14.306 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 2.801 -13.141 13.946 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 14.375 -11.044 31.433 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 14.259 -10.265 30.881 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 13.501 -11.490 31.403 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 2.317 -15.463 29.419 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 3.229 -15.665 29.131 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 1.751 -15.888 28.743 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 17.932 -17.164 36.675 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 17.332 -16.682 37.278 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 18.264 -17.901 37.213 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 13.123 -15.713 34.179 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 13.593 -15.472 35.002 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 12.450 -16.361 34.468 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 1.749 -14.147 34.684 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 1.420 -15.029 34.927 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 1.754 -14.155 33.707 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 6.831 -14.087 32.687 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 6.287 -14.715 33.213 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 7.570 -13.852 33.283 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 16.433 -15.862 38.574 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 16.027 -16.441 39.253 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 17.317 -15.648 38.943 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 5.105 -16.641 37.377 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 5.130 -17.559 37.712 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 4.358 -16.642 36.749 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 1.565 -14.454 31.881 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 1.829 -14.669 30.957 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 0.761 -13.893 31.775 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 9.208 -11.110 31.588 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 8.334 -11.334 31.197 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 9.195 -10.151 31.657 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 11.213 -11.314 24.631 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 12.008 -11.608 25.112 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 10.527 -11.241 25.323 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 15.646 -12.302 37.273 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 16.471 -12.415 37.791 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 15.137 -11.660 37.778 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 11.947 -11.441 28.033 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 12.458 -11.998 27.407 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 12.333 -10.564 27.932 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 6.652 -11.685 30.750 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 6.221 -12.036 31.548 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 6.977 -12.492 30.281 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 11.807 -12.002 30.898 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 11.771 -11.992 29.923 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 10.884 -11.815 31.175 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 5.410 -10.598 28.532 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 4.923 -11.433 28.344 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 5.861 -10.777 29.388 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 12.030 -20.129 35.804 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 12.936 -20.497 35.896 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 11.456 -20.828 36.148 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 12.962 -17.544 40.064 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 12.382 -16.821 40.318 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 12.461 -18.018 39.365 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 13.574 -12.244 25.918 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 13.855 -12.319 24.976 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 14.410 -12.322 26.421 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 7.959 -13.159 36.297 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 8.345 -13.028 35.401 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 8.162 -12.345 36.762 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 7.553 -14.113 30.088 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 7.927 -14.984 29.856 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 7.292 -14.210 31.033 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 11.586 -13.586 33.323 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 12.152 -14.362 33.510 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 11.920 -13.243 32.479 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 3.895 -12.845 28.155 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 4.238 -13.704 28.452 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 3.154 -13.081 27.556 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 11.254 -17.871 34.394 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 11.583 -18.703 34.801 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 11.297 -18.039 33.437 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 9.059 -12.831 33.839 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 9.060 -12.198 33.096 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 9.969 -13.214 33.823 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 9.492 -17.503 36.526 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 10.024 -17.509 35.702 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 8.793 -16.829 36.354 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 2.578 -10.277 28.103 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 2.708 -11.221 28.304 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 3.350 -9.845 28.496 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 17.481 -11.293 29.615 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 18.108 -12.052 29.607 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 18.023 -10.532 29.294 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 7.796 -9.289 27.919 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 6.944 -9.766 28.001 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 7.549 -8.361 27.932 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 11.379 -18.660 38.118 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 10.654 -18.104 37.747 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 11.784 -19.071 37.331 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 15.634 -17.621 40.555 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 14.673 -17.685 40.329 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 15.663 -17.795 41.502 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 16.944 -11.051 32.336 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 15.973 -10.969 32.211 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 17.291 -11.126 31.422 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 5.333 -10.945 22.869 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 6.281 -11.132 23.044 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 4.999 -10.595 23.718 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 4.564 -10.544 25.630 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 5.449 -10.973 25.656 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 4.392 -10.311 26.555 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 7.006 -11.811 25.636 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 7.364 -11.835 24.721 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 7.794 -11.637 26.191 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 17.037 -12.651 24.898 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 17.757 -11.988 24.891 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 16.715 -12.644 25.822 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 7.393 -15.838 36.169 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 7.570 -14.877 36.289 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 6.635 -16.020 36.772 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 7.797 -19.127 38.140 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 6.853 -19.100 37.874 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 8.239 -18.517 37.518 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 9.697 -20.339 39.577 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 10.451 -19.834 39.213 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 8.906 -19.891 39.188 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 19.118 -9.303 28.726 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 19.089 -8.777 27.903 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 20.074 -9.365 28.930 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 18.978 -11.831 35.973 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 18.229 -12.213 35.470 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 19.391 -11.213 35.345 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 15.942 -12.391 27.497 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 15.666 -13.031 28.188 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 16.514 -11.763 27.978 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 16.720 -12.592 34.653 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 16.149 -12.257 35.373 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 16.608 -11.943 33.930 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 14.739 -14.930 36.559 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 15.197 -15.341 37.323 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 14.892 -13.973 36.678 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 3.600 -16.476 32.189 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 3.099 -15.644 32.264 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 4.346 -16.361 32.809 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 -1.268 -12.781 37.247 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 -1.682 -11.955 37.506 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 -0.320 -12.546 37.117 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 17.508 -19.026 39.071 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 17.843 -19.688 39.714 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 16.864 -18.498 39.587 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 3.337 -17.215 35.358 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 2.368 -17.250 35.380 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 3.605 -18.139 35.153 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 15.781 -19.384 36.995 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 16.371 -19.407 37.776 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 16.297 -18.912 36.325 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 16.321 -22.710 41.439 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 15.340 -22.671 41.488 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 16.528 -23.651 41.619 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 20.091 -44.347 17.794 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 19.253 -43.822 17.767 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 20.489 -44.206 16.908 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 28.421 -38.891 17.765 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 28.815 -39.709 18.143 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 28.029 -39.184 16.924 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 23.303 -40.682 19.290 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 23.468 -41.488 19.823 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 23.464 -39.942 19.923 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 19.681 -38.571 9.427 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 19.196 -38.162 8.689 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 19.105 -39.312 9.714 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 24.558 -40.204 14.655 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 24.276 -39.555 13.988 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 25.481 -39.948 14.866 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 22.269 -41.811 14.497 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 21.681 -41.028 14.511 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 23.171 -41.430 14.498 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 25.503 -43.833 23.488 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 24.576 -43.513 23.532 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 25.441 -44.675 22.989 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 23.406 -42.924 20.801 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 23.185 -42.971 21.761 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 23.048 -43.756 20.431 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 23.696 -38.680 21.120 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 24.421 -38.077 20.870 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 23.365 -38.321 21.964 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 22.707 -38.461 12.978 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 22.099 -38.849 13.643 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 22.108 -38.003 12.352 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 22.902 -42.983 23.529 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 23.186 -42.078 23.803 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 22.381 -43.313 24.296 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 29.458 -41.334 18.555 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 30.345 -41.695 18.587 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 28.891 -42.059 18.905 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 21.454 -44.238 15.364 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 21.589 -43.337 14.974 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 22.349 -44.577 15.480 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 22.552 -44.976 19.182 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 21.892 -44.672 18.536 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 22.052 -45.603 19.749 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 26.009 -45.802 21.636 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 25.817 -45.405 20.764 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 26.954 -45.646 21.763 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 27.524 -34.973 15.603 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 26.865 -34.786 14.901 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 27.741 -34.105 15.960 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 27.453 -36.365 18.030 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 27.559 -36.132 17.084 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 27.841 -37.271 18.098 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 24.943 -36.889 13.222 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 24.159 -37.411 12.955 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 25.021 -37.051 14.184 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 20.658 -37.217 11.541 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 20.170 -36.395 11.327 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 20.396 -37.843 10.827 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 21.556 -43.846 25.849 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 21.764 -43.686 26.793 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 20.888 -44.537 25.869 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 27.992 -43.713 22.334 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 27.079 -43.665 22.688 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 28.545 -43.449 23.080 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 18.437 -47.263 26.137 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 18.064 -46.427 26.480 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 18.758 -47.722 26.933 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 25.396 -44.308 19.406 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 24.629 -44.762 19.015 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 25.005 -43.543 19.870 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 28.118 -43.489 19.599 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 27.226 -43.809 19.368 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 28.154 -43.562 20.576 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 19.967 -46.516 14.728 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 20.331 -46.868 13.911 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 20.420 -45.655 14.842 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 23.960 -40.653 24.367 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 24.876 -40.337 24.472 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 23.534 -40.435 25.217 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 26.974 -38.953 15.306 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 27.499 -38.538 14.613 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 26.417 -38.223 15.657 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 21.016 -39.416 14.889 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 20.148 -39.075 15.192 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 21.581 -39.382 15.693 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 22.895 -39.717 16.828 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 23.598 -40.020 16.213 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 23.072 -40.217 17.664 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 17.896 -40.462 10.383 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 17.250 -40.279 11.110 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 18.137 -41.385 10.511 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 21.295 -43.926 36.338 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 21.115 -43.851 37.285 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 22.220 -44.267 36.300 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 23.578 -40.710 34.768 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 23.022 -41.471 34.508 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 24.270 -40.675 34.074 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 14.611 -50.269 28.461 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 15.554 -50.386 28.593 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 14.548 -49.733 27.643 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 20.514 -47.504 32.806 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 19.587 -47.803 32.940 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 20.859 -48.091 32.102 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 25.171 -44.717 34.074 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 24.657 -44.763 34.909 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 25.421 -45.653 33.896 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 20.625 -41.801 40.451 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 19.680 -41.785 40.180 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 20.782 -42.744 40.693 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 21.316 -44.933 32.479 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 21.139 -45.897 32.562 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 20.571 -44.602 31.924 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 25.326 -40.649 32.682 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 25.301 -40.324 31.759 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 25.948 -41.407 32.654 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 23.762 -45.057 36.482 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 23.322 -45.694 37.083 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 24.259 -44.457 37.090 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 24.814 -43.216 38.141 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 25.516 -42.576 38.265 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 23.988 -42.696 38.278 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 21.901 -46.225 38.319 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 21.919 -46.381 39.283 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 21.028 -46.543 38.045 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 22.568 -41.675 38.473 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 22.312 -40.948 37.865 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 21.899 -41.638 39.186 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 25.658 -45.211 29.532 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 25.064 -44.814 30.198 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 25.926 -44.459 28.972 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 26.621 -37.221 29.546 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 27.343 -37.807 29.221 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 26.370 -36.688 28.758 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 20.376 -44.453 40.874 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 19.611 -44.764 40.348 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 20.895 -45.262 41.039 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 25.766 -47.296 33.252 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 26.507 -47.901 33.170 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 25.240 -47.447 32.443 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 21.861 -48.841 30.732 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 22.669 -48.282 30.733 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 22.196 -49.736 30.635 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 21.559 -46.956 41.030 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 22.337 -47.462 41.287 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 20.860 -47.253 41.662 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 26.941 -42.866 32.967 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 26.264 -43.491 33.313 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 27.674 -42.948 33.585 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 21.965 -42.751 33.988 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.825 -43.534 33.412 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 21.694 -43.060 34.878 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 26.419 -42.825 27.989 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 25.856 -42.026 27.926 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 26.752 -42.952 27.075 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 18.354 -45.604 39.335 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 18.716 -46.274 38.712 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 17.496 -45.353 38.943 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 21.821 -43.559 28.642 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 22.680 -43.177 28.899 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 21.178 -43.133 29.264 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 19.029 -47.841 28.884 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 19.308 -46.894 28.886 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 19.731 -48.294 29.371 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 23.896 -44.745 31.625 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 22.943 -44.673 31.841 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 24.347 -44.542 32.470 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 23.382 -41.540 29.948 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 22.856 -41.414 30.764 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 24.087 -40.872 30.017 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 19.687 -45.236 28.849 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 19.416 -44.867 29.732 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 20.538 -44.784 28.658 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 27.760 -41.563 30.072 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 27.652 -42.125 30.852 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 27.348 -42.077 29.347 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 25.110 -40.368 27.721 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 24.159 -40.426 27.486 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 25.116 -39.896 28.577 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 21.632 -39.664 41.907 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 22.575 -39.835 41.797 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 21.198 -40.349 41.347 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 26.394 -39.808 25.415 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 26.601 -38.868 25.373 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 26.062 -39.942 26.335 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 16.017 -44.460 42.412 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 16.176 -43.586 42.020 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 15.461 -44.269 43.191 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 27.124 -42.520 25.290 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 26.523 -42.970 24.660 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 26.921 -41.570 25.180 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 19.652 -47.744 42.821 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 19.440 -47.937 43.737 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 18.792 -47.473 42.427 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 24.301 -47.342 30.846 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 24.921 -47.080 30.138 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 23.976 -46.484 31.198 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 25.673 -35.763 27.357 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 25.814 -34.940 26.848 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 24.700 -35.869 27.374 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 16.771 -45.597 32.186 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 16.630 -46.189 31.416 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 17.526 -45.022 31.907 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 16.509 -47.375 30.121 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 15.898 -47.029 29.437 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 17.332 -47.574 29.628 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 21.963 -39.689 36.675 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 21.435 -39.022 36.183 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 22.627 -40.002 36.013 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 20.767 -37.731 35.101 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 20.256 -36.905 35.264 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 20.524 -37.982 34.182 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 21.676 -40.952 31.968 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 21.056 -41.495 31.420 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 21.797 -41.479 32.784 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 25.322 -37.999 33.493 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 25.290 -38.959 33.308 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 24.659 -37.868 34.197 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 28.408 -39.170 28.834 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 29.162 -39.458 28.314 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 28.167 -39.962 29.366 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 20.128 -39.727 44.224 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 19.556 -40.487 43.992 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 20.744 -39.655 43.468 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 21.414 -36.945 49.037 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 22.028 -37.673 48.903 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.528 -37.372 49.025 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 18.530 -41.759 43.323 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 17.682 -41.683 42.838 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 18.977 -42.511 42.905 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 18.236 -34.301 50.673 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 17.570 -34.925 51.014 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 18.349 -34.562 49.732 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 18.895 -37.974 48.757 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 17.985 -38.252 48.971 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 19.013 -38.239 47.822 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 21.657 -36.889 41.414 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 21.539 -37.790 41.777 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 21.900 -37.044 40.477 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 24.935 -16.727 5.946 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 24.420 -16.484 6.749 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 25.161 -17.657 6.087 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 20.334 -24.428 2.367 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 21.192 -24.867 2.356 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 20.461 -23.667 2.989 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 17.528 -27.021 5.523 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 16.568 -26.864 5.410 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 17.572 -27.811 6.107 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 17.352 -20.824 2.257 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 16.988 -21.730 2.209 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 17.634 -20.729 3.189 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 20.452 -21.241 6.563 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 21.082 -20.839 7.201 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 20.138 -22.049 7.022 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 17.561 -28.809 7.606 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 18.246 -28.731 8.302 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 17.295 -29.754 7.636 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 20.656 -22.318 4.022 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 20.609 -21.486 3.541 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 20.683 -22.047 4.965 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 17.985 -20.847 4.981 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 18.004 -21.785 5.274 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 18.720 -20.436 5.469 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 21.813 -32.468 14.193 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 20.961 -32.607 14.643 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 22.338 -31.944 14.835 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 24.673 -22.570 16.255 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 24.461 -23.512 16.373 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 23.830 -22.173 15.940 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 26.721 -26.625 16.068 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 26.869 -27.160 15.278 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 27.566 -26.126 16.185 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 25.402 -34.339 13.986 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 24.964 -33.691 13.391 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 25.271 -35.205 13.532 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 19.859 -32.572 16.178 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 20.510 -33.204 16.562 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 20.094 -31.713 16.593 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 23.356 -31.014 15.981 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 24.027 -31.248 16.657 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 23.887 -30.667 15.225 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 22.806 -23.985 18.860 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 23.550 -24.352 18.359 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 22.131 -23.779 18.172 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 21.662 -34.203 17.357 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 21.384 -35.138 17.442 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 22.601 -34.259 17.067 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 28.872 -25.050 16.616 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 28.377 -24.225 16.813 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 29.641 -25.008 17.200 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 23.439 -37.352 18.052 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 23.176 -38.227 17.690 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 22.596 -36.894 18.199 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 22.222 -21.460 15.718 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 21.701 -21.394 14.888 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 21.720 -22.118 16.259 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.945 -29.483 19.317 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.301 -30.147 18.700 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 24.495 -28.686 19.149 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 27.276 -22.924 17.285 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 27.059 -22.436 18.121 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 26.468 -22.832 16.743 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 23.916 -28.290 12.058 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 24.312 -28.074 11.212 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 23.620 -27.422 12.414 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 23.190 -19.012 16.568 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 22.799 -19.817 16.161 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 24.076 -19.305 16.868 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 27.196 -33.613 18.223 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 27.383 -34.573 18.126 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 26.697 -33.556 19.076 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 21.170 -30.499 17.458 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 21.938 -30.609 16.852 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 21.499 -29.910 18.147 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 24.654 -30.350 13.716 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 24.547 -31.135 13.149 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 24.397 -29.599 13.138 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 29.080 -28.248 22.660 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 28.620 -28.966 22.161 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 29.810 -27.993 22.085 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 25.497 -31.312 24.010 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 24.948 -31.397 23.198 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 25.918 -30.430 23.919 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 21.070 -35.746 8.638 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 21.542 -36.537 8.936 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 20.476 -35.523 9.390 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 24.305 -34.344 16.514 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 24.914 -33.757 16.982 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 24.545 -34.237 15.570 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 23.823 -32.716 12.414 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 23.441 -32.825 11.538 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 23.040 -32.691 13.019 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 19.146 -35.156 10.493 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 18.277 -35.562 10.296 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 19.017 -34.201 10.282 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 28.661 -31.530 19.238 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 28.231 -32.303 18.816 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 29.267 -31.184 18.544 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 26.557 -25.217 19.777 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 27.207 -24.825 20.404 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 26.481 -24.554 19.076 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 25.077 -31.730 18.022 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 26.021 -31.941 17.917 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 24.831 -32.158 18.861 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 28.072 -23.838 21.538 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 27.678 -22.941 21.427 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 28.148 -23.942 22.511 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 22.627 -24.785 15.193 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 21.922 -24.318 15.688 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 23.192 -25.169 15.890 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 19.114 -27.968 9.704 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 18.563 -27.622 10.442 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 19.918 -28.281 10.135 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 23.322 -25.681 12.732 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 22.991 -25.505 13.645 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 23.651 -24.830 12.436 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 23.475 -18.820 11.148 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 22.669 -18.301 11.255 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 24.059 -18.497 11.864 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 24.527 -25.343 17.095 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 25.303 -25.600 16.547 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 24.483 -26.040 17.776 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 32.967 -21.855 21.198 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 32.542 -21.878 20.308 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 33.380 -20.991 21.238 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 22.015 -20.554 8.778 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 21.929 -20.430 9.730 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 22.842 -20.081 8.549 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 16.987 -22.500 14.117 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 17.345 -21.736 13.635 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 17.728 -22.778 14.714 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 30.844 -30.837 17.742 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 31.232 -31.188 18.572 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 31.605 -30.626 17.195 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 31.279 -32.051 20.151 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 31.434 -32.792 20.743 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 30.310 -31.933 20.161 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 24.415 -19.171 8.569 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 25.276 -19.603 8.367 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 24.363 -19.180 9.550 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 19.824 -23.511 7.912 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 20.404 -23.430 8.679 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 19.481 -24.435 7.965 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 30.487 -21.139 26.017 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 29.552 -21.180 26.306 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 30.644 -22.002 25.597 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 18.684 -25.899 7.749 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 18.345 -26.320 6.931 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 18.846 -26.648 8.353 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 28.092 -23.902 24.269 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 28.958 -23.587 24.594 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 27.499 -23.803 25.041 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 30.380 -24.098 19.968 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 29.532 -24.018 20.444 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 31.034 -24.271 20.677 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 24.193 -31.058 21.572 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 23.661 -31.788 21.216 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 24.081 -30.340 20.915 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 29.426 -26.292 24.577 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 29.350 -27.063 23.973 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 28.774 -25.653 24.231 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 25.656 -27.493 18.539 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 26.062 -26.835 19.141 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 26.178 -27.416 17.716 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 25.403 -36.772 19.905 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 24.689 -36.942 19.251 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 26.205 -36.645 19.354 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 27.653 -30.205 21.409 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 28.008 -30.684 20.629 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 26.752 -30.546 21.505 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 25.494 -35.363 22.266 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 25.471 -35.958 21.485 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 25.031 -35.853 22.953 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.673 -33.424 20.399 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 25.858 -33.981 21.189 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 24.698 -33.378 20.368 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 28.920 -20.533 9.567 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 29.795 -20.145 9.666 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 28.651 -20.749 10.467 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 24.121 -19.519 24.269 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 25.039 -19.869 24.319 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 23.645 -20.011 24.945 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 29.514 -21.264 16.953 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 29.285 -20.693 17.719 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 28.825 -21.954 16.958 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 31.609 -21.915 18.819 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 31.129 -22.725 19.096 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 31.115 -21.599 18.043 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 20.342 -21.957 13.781 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 20.309 -22.660 13.129 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 19.904 -22.348 14.581 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 18.439 -37.281 13.220 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 19.290 -37.420 12.761 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 18.526 -37.798 14.045 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 18.789 -36.753 7.459 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 18.787 -36.744 6.495 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 19.650 -36.351 7.702 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 25.179 -37.011 15.958 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 25.262 -36.051 16.089 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 24.599 -37.296 16.694 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 20.881 -27.884 37.491 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 21.161 -28.826 37.463 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 21.661 -27.411 37.838 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 23.076 -24.786 35.258 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 23.217 -24.807 34.292 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 22.148 -25.092 35.369 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 23.501 -30.827 35.976 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 23.980 -31.517 35.467 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 23.620 -30.012 35.438 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 19.101 -35.490 35.197 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 18.276 -35.969 35.020 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 18.882 -34.557 34.989 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 26.213 -35.972 31.968 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 26.018 -36.789 32.485 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 26.520 -36.309 31.101 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 24.142 -30.374 26.177 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 24.738 -30.753 25.493 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 23.255 -30.452 25.779 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 21.988 -27.149 33.509 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 21.324 -26.825 34.150 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 22.264 -26.351 33.028 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 24.005 -28.534 34.646 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 23.269 -28.022 34.229 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 24.263 -27.997 35.418 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 23.011 -25.912 37.802 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 23.769 -26.532 37.762 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 23.058 -25.425 36.956 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 18.351 -28.742 38.033 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 19.277 -28.475 37.819 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 18.417 -29.703 38.219 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 21.450 -17.877 31.722 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 22.351 -17.569 31.976 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 21.311 -18.666 32.266 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 29.856 -17.549 28.878 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 29.770 -17.672 29.842 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 30.111 -16.605 28.782 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 21.679 -18.394 29.058 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 21.899 -19.328 28.999 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 21.500 -18.249 30.014 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 30.223 -20.697 31.264 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 30.965 -21.241 30.979 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 29.493 -20.946 30.643 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 20.477 -32.208 34.347 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 20.664 -32.155 35.289 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 19.517 -32.436 34.303 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 26.118 -33.292 25.938 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 26.982 -32.888 26.050 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 25.726 -32.808 25.184 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 24.978 -27.756 37.253 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 24.657 -28.534 37.773 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 25.933 -27.855 37.250 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 22.505 -30.353 30.676 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 22.992 -30.690 29.895 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 23.197 -30.270 31.371 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 24.093 -29.962 38.531 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 23.829 -30.461 37.731 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 23.582 -30.379 39.253 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 23.008 -33.131 19.881 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 22.468 -32.852 19.124 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 22.712 -34.052 20.054 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 24.427 -30.349 32.621 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 24.349 -29.619 33.269 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 24.707 -31.116 33.158 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 22.634 -33.183 26.876 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 23.058 -32.586 27.523 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 22.685 -32.695 26.030 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 25.089 -32.406 34.408 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 25.974 -32.581 34.743 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 24.751 -33.299 34.143 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 24.456 -34.922 33.785 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 24.120 -35.665 34.336 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 25.168 -35.329 33.242 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 27.766 -26.248 26.814 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 28.452 -26.483 26.162 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 27.139 -27.008 26.788 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 20.569 -25.963 35.535 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 19.654 -25.607 35.558 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 20.569 -26.665 36.224 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 26.941 -23.721 26.902 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 26.529 -23.610 27.779 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 27.245 -24.664 26.899 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 18.099 -31.465 38.573 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 18.728 -32.081 39.012 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 18.003 -31.824 37.681 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 26.161 -23.289 29.724 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 25.517 -22.894 30.352 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 26.368 -24.149 30.108 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 23.327 -24.940 32.443 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 23.738 -25.501 31.773 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 23.554 -24.027 32.164 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 27.815 -22.574 34.999 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 28.501 -22.029 34.545 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 28.282 -22.964 35.744 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 22.695 -15.972 28.750 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 22.350 -16.895 28.756 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 22.520 -15.658 27.849 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 19.476 -33.459 39.848 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 18.891 -34.147 39.456 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 19.712 -33.822 40.735 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 21.987 -21.335 37.343 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 21.074 -21.088 37.116 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 21.891 -22.164 37.859 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 25.931 -26.389 22.313 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 26.041 -25.557 22.786 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 26.036 -26.146 21.375 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 28.429 -21.600 29.416 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 28.332 -21.348 28.478 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 27.639 -22.142 29.599 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 23.970 -31.460 28.638 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 24.156 -30.952 27.815 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 24.809 -31.888 28.848 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 24.905 -39.259 30.278 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 25.642 -38.616 30.190 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 24.095 -38.696 30.228 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 27.127 -18.009 28.569 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 27.107 -18.812 28.037 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 28.078 -17.784 28.627 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 22.892 -35.830 27.425 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 21.960 -36.114 27.306 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 22.874 -34.868 27.213 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 19.745 -18.089 41.322 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 19.211 -18.899 41.424 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 20.282 -18.259 40.520 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 31.939 -24.167 22.252 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 31.700 -23.945 23.158 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 32.404 -23.365 21.921 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 30.764 -23.913 25.207 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 30.436 -24.823 25.028 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 31.486 -24.044 25.833 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 22.630 -31.191 40.592 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 23.203 -31.267 41.364 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 21.727 -31.089 40.975 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 26.016 -28.305 26.368 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 26.172 -28.415 25.405 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 25.266 -28.898 26.553 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 26.451 -28.710 23.725 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 27.379 -28.770 23.436 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 26.077 -27.988 23.170 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 23.451 -36.889 35.369 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 22.529 -37.211 35.296 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 23.457 -36.372 36.202 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 21.168 -30.676 37.325 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 21.906 -30.688 36.677 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 21.329 -31.458 37.876 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 25.176 -35.435 39.848 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 26.041 -35.584 39.462 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 24.565 -35.445 39.081 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 21.947 -33.132 38.727 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 22.379 -32.559 39.392 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 21.052 -33.288 39.095 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 22.181 -37.797 38.836 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 22.563 -38.403 38.175 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 21.246 -38.098 38.918 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 27.832 -21.210 26.680 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 27.479 -22.127 26.758 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 27.395 -20.857 25.876 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 23.662 -20.509 35.362 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 24.188 -21.290 35.074 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 23.104 -20.857 36.102 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 22.014 -18.297 35.288 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 22.586 -17.519 35.472 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 22.638 -19.047 35.233 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 23.575 -19.946 32.558 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 23.837 -19.010 32.463 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 23.583 -20.098 33.520 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 27.536 -19.159 34.835 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 26.883 -18.766 35.465 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 27.272 -20.085 34.776 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 24.507 -22.481 31.839 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 24.842 -22.565 32.759 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 24.119 -21.578 31.812 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 25.144 -22.711 34.546 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 24.771 -23.430 35.086 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 26.114 -22.740 34.738 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 22.995 -37.365 29.739 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 23.022 -36.946 28.856 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 23.068 -36.610 30.359 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 23.618 -35.067 31.123 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 24.571 -35.203 30.993 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 23.534 -34.887 32.075 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 26.692 -20.527 24.222 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 27.366 -19.813 24.151 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 26.714 -20.967 23.336 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 23.711 -35.152 42.191 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 22.995 -35.779 41.975 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 24.324 -35.220 41.427 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 18.087 -29.321 46.337 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 18.599 -28.521 46.482 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 17.731 -29.543 47.235 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 23.291 -35.498 37.807 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 22.768 -36.227 38.206 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 22.767 -34.690 37.999 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 20.288 -35.962 51.715 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 20.913 -36.097 50.987 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 19.708 -35.241 51.402 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 18.845 -32.097 46.138 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 18.973 -31.136 46.093 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 19.590 -32.467 45.624 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 23.397 -33.171 44.029 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 23.467 -33.870 43.335 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 24.293 -33.080 44.359 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 20.899 -35.598 46.607 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 21.365 -35.878 47.419 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 20.475 -36.424 46.279 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 21.607 -23.660 38.871 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 22.146 -24.450 38.655 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 20.693 -23.906 38.582 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 20.783 -33.562 44.729 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 21.717 -33.321 44.522 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 20.864 -34.254 45.426 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 20.210 -31.260 41.977 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 20.208 -31.984 42.617 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 19.269 -31.124 41.765 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 18.617 -35.298 48.196 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 18.674 -36.250 48.421 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 19.375 -35.150 47.594 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 19.547 -37.897 46.061 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 19.855 -38.572 45.405 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 18.590 -37.792 45.861 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 20.093 -34.644 42.225 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 20.666 -35.422 42.062 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 20.307 -34.376 43.143 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 16.380 -16.381 3.297 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 16.419 -16.534 2.337 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 16.745 -17.183 3.678 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 26.276 -14.355 5.339 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 25.883 -15.204 5.627 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 27.223 -14.499 5.397 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 21.156 -13.206 5.350 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 22.075 -13.045 5.031 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 21.280 -13.771 6.146 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 13.702 -15.626 0.947 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 14.005 -15.312 0.069 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 13.170 -16.423 0.746 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 23.802 -13.305 4.745 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 23.637 -14.072 4.161 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 24.747 -13.395 4.987 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.875 -15.782 3.462 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 24.145 -16.173 4.317 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 24.604 -15.986 2.868 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 23.122 -9.180 19.141 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 23.510 -9.179 20.039 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 23.463 -10.010 18.735 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 19.678 -13.886 9.411 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 19.294 -13.336 10.129 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 18.990 -13.877 8.715 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 18.105 -12.756 11.343 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 18.259 -13.584 11.852 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 17.147 -12.771 11.144 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 26.760 -17.015 14.760 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 26.673 -16.682 15.665 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 27.277 -17.845 14.862 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 23.643 -16.502 15.621 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 23.326 -17.398 15.863 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 23.939 -16.600 14.692 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 19.182 -15.444 17.470 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 19.799 -16.209 17.465 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 18.562 -15.628 16.732 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 22.991 -14.122 16.965 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 23.562 -14.268 17.746 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 23.150 -14.912 16.401 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 26.646 -9.032 22.231 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 26.758 -8.268 21.613 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 27.410 -9.615 22.023 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 21.251 -17.260 17.688 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 21.841 -16.818 18.307 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 21.816 -17.932 17.258 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 26.442 -7.181 20.268 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 25.595 -6.713 20.147 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 26.823 -7.221 19.365 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 28.736 -10.765 21.720 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 28.908 -10.775 22.688 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 28.351 -11.650 21.534 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 23.706 -11.685 18.272 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 24.040 -12.362 18.893 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 23.447 -12.196 17.486 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 25.536 -9.906 24.565 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 24.600 -9.923 24.270 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.019 -9.511 23.802 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 23.994 -8.608 21.664 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 23.954 -7.704 21.292 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 24.952 -8.765 21.809 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 20.594 -9.049 20.969 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 20.545 -9.579 20.146 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 21.395 -8.523 20.862 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 32.536 -13.796 22.123 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 32.344 -12.846 22.188 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 31.761 -14.163 21.658 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 23.797 -6.524 19.834 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 23.352 -5.755 19.461 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 23.519 -7.266 19.259 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 32.000 -12.610 19.464 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 32.943 -12.796 19.532 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 31.824 -11.992 20.205 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 24.285 -14.205 19.427 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 23.750 -14.795 20.000 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 25.200 -14.549 19.514 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 23.864 -15.433 10.904 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 24.021 -14.492 10.652 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 22.898 -15.471 11.094 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 29.181 -13.262 26.269 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 29.432 -14.142 25.907 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 28.425 -12.979 25.712 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 21.871 -14.407 7.726 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 22.419 -15.198 7.941 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 21.174 -14.404 8.414 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 26.822 -15.324 19.427 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 26.480 -15.824 18.648 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 27.591 -15.858 19.734 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 25.611 -16.854 17.528 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 24.915 -16.696 16.857 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 25.319 -17.665 17.991 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 24.048 -12.850 10.164 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 24.323 -12.070 10.650 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 23.813 -12.511 9.278 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 28.436 -19.893 19.033 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 28.025 -19.021 18.972 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 27.694 -20.496 19.287 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 24.632 -17.132 13.066 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 25.503 -17.052 13.523 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 24.650 -16.430 12.385 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 21.142 -15.359 11.206 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 20.441 -15.466 11.875 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 20.714 -14.840 10.499 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 27.256 -7.271 17.636 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 27.314 -8.147 17.243 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 27.797 -6.716 17.065 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 20.465 -13.124 17.510 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 19.969 -13.974 17.596 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 21.376 -13.407 17.266 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 26.203 -14.293 23.347 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 26.527 -15.213 23.174 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 25.326 -14.430 23.767 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 28.976 -16.755 20.328 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 29.532 -15.950 20.423 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 29.387 -17.398 20.916 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 26.828 -20.344 7.834 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 27.029 -21.003 7.164 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 27.611 -20.360 8.431 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 23.163 -11.989 7.651 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 22.650 -12.826 7.683 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 23.668 -12.055 6.825 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 21.238 -9.718 25.533 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 21.916 -9.886 24.850 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 20.443 -10.192 25.203 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 27.056 -12.219 24.904 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 26.403 -11.496 24.797 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 26.721 -12.937 24.319 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 28.852 -8.539 26.273 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 28.658 -7.598 26.467 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 29.699 -8.713 26.744 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 27.631 -13.266 21.218 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 27.317 -13.821 20.474 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 27.127 -13.598 21.990 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 31.473 -11.069 21.620 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 31.822 -10.334 22.136 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 30.527 -10.840 21.487 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 30.326 -15.673 25.675 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 31.156 -15.431 25.210 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 30.367 -16.652 25.745 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 28.708 -18.681 24.132 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 29.143 -19.060 23.335 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 29.430 -18.610 24.793 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 20.711 -10.714 18.803 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 21.565 -10.284 18.615 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 20.715 -11.514 18.230 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 18.666 -7.234 24.132 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 19.073 -7.412 25.007 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 18.466 -6.296 24.153 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 27.890 -19.349 15.575 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 27.129 -19.621 16.127 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 28.611 -19.941 15.853 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 18.832 -14.975 12.808 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 18.116 -15.537 13.179 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 19.202 -14.528 13.583 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 25.704 -20.196 17.137 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 25.366 -21.016 16.722 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 25.848 -20.447 18.074 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 23.622 -16.453 8.382 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 23.843 -16.064 9.259 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 23.784 -17.411 8.500 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 29.083 -19.891 21.708 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 29.314 -19.892 20.760 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 28.295 -20.476 21.757 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 27.617 -8.194 30.211 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 26.886 -7.751 29.739 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 28.367 -7.563 30.131 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 18.234 -12.673 38.427 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 18.444 -13.614 38.525 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 18.568 -12.440 37.528 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 21.772 -8.544 29.105 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 22.020 -8.109 28.261 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 22.525 -8.358 29.697 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 30.634 -14.983 28.325 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 31.551 -14.645 28.279 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 30.397 -15.149 27.389 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 27.064 -10.365 31.817 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 26.123 -10.446 32.082 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 27.103 -9.521 31.316 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 29.439 -6.344 29.363 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 30.065 -5.618 29.430 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 28.947 -6.162 28.536 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 22.332 -10.526 37.001 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 22.785 -9.981 37.650 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 21.856 -11.192 37.539 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 19.871 -6.946 30.240 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 20.565 -7.551 29.897 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 19.047 -7.328 29.910 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 29.604 -20.851 33.953 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 29.214 -19.991 34.190 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 29.856 -20.752 33.012 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 30.855 -12.586 30.797 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 31.475 -13.185 31.265 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 30.328 -12.184 31.515 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 23.608 -7.031 30.575 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 23.088 -6.207 30.601 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 23.422 -7.455 31.444 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 24.572 -11.147 32.692 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 23.998 -10.932 33.456 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 23.942 -11.229 31.941 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 29.119 -10.503 24.397 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 29.069 -9.740 25.018 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 28.415 -11.108 24.704 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 22.370 -10.395 34.266 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 22.417 -10.443 35.251 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 21.471 -10.699 34.058 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 29.537 -14.615 33.211 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 29.070 -13.773 33.343 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 28.903 -15.295 33.525 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 21.087 -12.273 38.773 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 21.267 -12.621 39.655 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 20.119 -12.151 38.757 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 28.544 -15.377 30.753 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 27.816 -15.933 31.063 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 29.036 -15.150 31.565 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 26.626 -13.069 33.092 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 25.840 -12.491 33.010 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 27.372 -12.473 32.929 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 25.633 -15.473 33.890 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 26.429 -16.033 33.782 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 25.942 -14.571 33.643 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 29.112 -10.321 29.254 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 28.551 -9.605 29.615 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 29.794 -9.852 28.738 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 30.469 -18.400 26.223 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 30.324 -18.214 27.174 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 30.657 -19.367 26.194 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 31.736 -11.776 28.318 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 31.465 -12.021 29.229 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 32.276 -12.533 28.017 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 22.496 -7.995 32.902 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 21.781 -7.639 33.434 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 22.662 -8.880 33.289 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 27.812 -6.090 27.106 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 27.047 -6.370 27.652 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 27.421 -5.505 26.436 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 22.400 -4.234 28.403 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 21.876 -3.441 28.249 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 22.144 -4.519 29.310 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 25.638 -6.971 28.678 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 24.911 -7.073 29.338 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 25.588 -7.794 28.134 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 31.124 -9.261 27.598 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 31.376 -10.210 27.736 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 31.954 -8.784 27.695 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 22.443 -14.363 37.327 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 22.047 -13.527 37.622 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 22.248 -14.990 38.056 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 31.282 -12.044 24.958 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 30.807 -12.440 25.710 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 30.661 -11.369 24.619 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 25.871 -4.325 25.231 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 25.878 -3.421 24.901 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 25.597 -4.235 26.175 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 25.067 -4.397 27.794 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 25.293 -5.250 28.215 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 24.134 -4.245 28.048 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 30.024 -17.996 31.706 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 30.067 -18.966 31.554 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 30.947 -17.726 31.779 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 25.244 -16.798 30.148 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 25.933 -17.245 29.603 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 24.591 -16.487 29.498 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 22.404 -6.689 27.116 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 22.480 -5.779 27.466 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 23.019 -6.702 26.347 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 21.616 -5.004 30.880 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 20.907 -5.666 30.684 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 21.372 -4.645 31.738 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 26.240 -9.088 27.064 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 25.876 -9.365 26.201 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 27.202 -9.010 26.902 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 24.201 -6.556 25.017 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 24.634 -7.219 24.476 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 24.786 -5.772 24.952 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 21.797 -16.064 39.348 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 21.680 -17.024 39.191 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 22.416 -16.019 40.115 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 23.343 -16.000 41.628 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 24.131 -15.910 42.168 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 22.639 -16.255 42.268 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 23.748 -16.228 35.786 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 24.412 -15.820 35.188 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 23.376 -15.464 36.289 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 25.371 -18.428 36.241 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.846 -17.602 36.254 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 24.716 -19.125 36.060 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.291 -16.757 43.223 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 20.726 -17.242 42.583 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 20.724 -16.627 43.987 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 19.904 -7.666 26.563 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 20.622 -7.066 26.846 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 20.383 -8.447 26.196 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 32.606 -14.395 24.762 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 32.182 -13.506 24.770 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 32.902 -14.503 23.834 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 29.193 -11.632 32.793 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 29.661 -10.994 33.344 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 28.490 -11.095 32.348 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 19.482 -10.459 33.510 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 19.729 -9.757 32.896 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 18.590 -10.735 33.209 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 30.185 -14.280 20.643 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 30.678 -13.712 20.008 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 29.380 -13.764 20.850 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 33.048 -14.035 27.441 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 33.963 -14.261 27.636 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 32.962 -14.194 26.473 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 19.036 -15.669 39.576 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 18.993 -16.360 40.259 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 19.987 -15.625 39.347 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 16.613 -15.324 34.633 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 16.005 -15.371 35.396 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 16.659 -14.371 34.427 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 19.897 -19.479 36.546 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 19.242 -19.549 35.801 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 20.674 -19.038 36.132 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 28.033 -16.903 33.376 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 27.836 -17.681 33.946 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 28.681 -17.248 32.724 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 23.963 -17.157 32.476 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 24.420 -16.568 33.113 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 24.464 -17.029 31.633 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 32.171 -14.174 32.649 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 32.684 -14.261 33.456 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 31.261 -14.441 32.909 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 21.097 -18.730 38.966 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 21.745 -19.450 38.927 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 20.516 -18.891 38.192 1.00 0.00 WAT1 END