REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1199.49, 63.9124, 76.8405, 38.6159, 400.692, -373.23, -1408.22, 1.80165, 0.102212 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.793096E-03,0.449044,1.22196,42.8193,3.851557E-03,0.131514 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 22, 5 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:04 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 3.314 -3.236 -13.997 1.00 22.22 ATOM 2 CB MET 1 5.225 -2.266 -13.891 1.00 70.32 ATOM 3 HB1 MET 1 5.740 -1.599 -13.215 1.00 37.41 ATOM 4 HB2 MET 1 5.146 -1.790 -14.858 1.00 21.24 ATOM 5 CG MET 1 6.066 -3.528 -14.051 1.00 21.22 ATOM 6 HG1 MET 1 5.559 -4.200 -14.727 1.00 37.41 ATOM 7 HG2 MET 1 6.170 -4.002 -13.085 1.00 24.30 ATOM 8 SD MET 1 7.713 -3.191 -14.703 1.00 23.03 ATOM 9 CE MET 1 8.372 -4.851 -14.855 1.00 24.44 ATOM 10 HE1 MET 1 9.384 -4.806 -15.232 1.00 45.51 ATOM 11 HE2 MET 1 7.761 -5.420 -15.540 1.00 74.25 ATOM 12 HE3 MET 1 8.369 -5.329 -13.887 1.00 1.51 ATOM 13 C MET 1 3.893 -3.133 -11.938 1.00 23.10 ATOM 14 O MET 1 3.743 -4.344 -11.764 1.00 52.13 ATOM 15 N MET 1 3.012 -1.267 -13.364 1.00 22.21 ATOM 16 HT1 MET 1 3.000 -0.859 -14.321 1.00 37.41 ATOM 17 HT2 MET 1 3.420 -0.568 -12.716 1.00 37.41 ATOM 18 HT3 MET 1 2.028 -1.457 -13.074 1.00 37.41 ATOM 19 CA MET 1 3.810 -2.526 -13.351 1.00 45.13 ATOM 20 N GLY 2 4.138 -2.289 -10.936 1.00 32.00 ATOM 21 HN GLY 2 4.229 -1.331 -11.124 1.00 37.41 ATOM 22 CA GLY 2 4.274 -2.767 -9.560 1.00 45.23 ATOM 23 HA1 GLY 2 4.559 -1.934 -8.934 1.00 37.41 ATOM 24 HA2 GLY 2 5.060 -3.508 -9.527 1.00 53.52 ATOM 25 C GLY 2 2.992 -3.383 -8.997 1.00 51.45 ATOM 26 O GLY 2 1.934 -2.750 -8.996 1.00 50.02 ATOM 27 N HIS 3 3.087 -4.620 -8.512 1.00 74.24 ATOM 28 HN HIS 3 3.959 -5.073 -8.529 1.00 37.41 ATOM 29 CA HIS 3 1.931 -5.324 -7.945 1.00 13.20 ATOM 30 HA HIS 3 1.040 -4.782 -8.235 1.00 30.01 ATOM 31 CB HIS 3 1.842 -6.747 -8.513 1.00 55.14 ATOM 32 HB1 HIS 3 1.115 -7.310 -7.945 1.00 37.41 ATOM 33 HB2 HIS 3 2.807 -7.225 -8.428 1.00 44.13 ATOM 34 CG HIS 3 1.435 -6.790 -9.955 1.00 21.00 ATOM 35 ND1 HIS 3 2.297 -6.516 -10.993 1.00 23.32 ATOM 36 HD1 HIS 3 3.245 -6.274 -10.905 1.00 44.42 ATOM 37 CD2 HIS 3 0.240 -7.068 -10.531 1.00 50.41 ATOM 38 HD2 HIS 3 -0.674 -7.331 -10.016 1.00 32.22 ATOM 39 CE1 HIS 3 1.656 -6.621 -12.137 1.00 34.23 ATOM 40 HE1 HIS 3 2.084 -6.463 -13.116 1.00 55.51 ATOM 41 NE2 HIS 3 0.407 -6.954 -11.889 1.00 64.52 ATOM 42 HE2 HIS 3 -0.323 -6.888 -12.541 1.00 37.41 ATOM 43 C HIS 3 1.988 -5.374 -6.411 1.00 51.13 ATOM 44 O HIS 3 3.050 -5.566 -5.819 1.00 61.35 ATOM 45 N HIS 4 0.827 -5.210 -5.780 1.00 41.51 ATOM 46 HN HIS 4 0.015 -5.078 -6.314 1.00 37.41 ATOM 47 CA HIS 4 0.714 -5.241 -4.320 1.00 3.52 ATOM 48 HA HIS 4 1.706 -5.124 -3.903 1.00 4.53 ATOM 49 CB HIS 4 -0.169 -4.084 -3.838 1.00 50.43 ATOM 50 HB1 HIS 4 -0.146 -4.045 -2.758 1.00 37.41 ATOM 51 HB2 HIS 4 -1.186 -4.252 -4.165 1.00 52.25 ATOM 52 CG HIS 4 0.271 -2.747 -4.358 1.00 32.54 ATOM 53 ND1 HIS 4 1.376 -2.076 -3.880 1.00 64.01 ATOM 54 HD1 HIS 4 1.975 -2.390 -3.165 1.00 53.32 ATOM 55 CD2 HIS 4 -0.239 -1.966 -5.341 1.00 55.43 ATOM 56 HD2 HIS 4 -1.114 -2.178 -5.940 1.00 72.54 ATOM 57 CE1 HIS 4 1.526 -0.947 -4.541 1.00 14.03 ATOM 58 HE1 HIS 4 2.308 -0.221 -4.379 1.00 43.33 ATOM 59 NE2 HIS 4 0.562 -0.854 -5.433 1.00 5.52 ATOM 60 HE2 HIS 4 0.537 -0.195 -6.166 1.00 37.41 ATOM 61 C HIS 4 0.141 -6.589 -3.856 1.00 40.21 ATOM 62 O HIS 4 -1.076 -6.764 -3.754 1.00 45.42 ATOM 63 N HIS 5 1.026 -7.545 -3.582 1.00 1.12 ATOM 64 HN HIS 5 1.978 -7.318 -3.572 1.00 37.41 ATOM 65 CA HIS 5 0.610 -8.921 -3.281 1.00 3.11 ATOM 66 HA HIS 5 -0.175 -9.168 -3.984 1.00 10.05 ATOM 67 CB HIS 5 1.774 -9.908 -3.508 1.00 23.34 ATOM 68 HB1 HIS 5 1.968 -9.980 -4.570 1.00 37.41 ATOM 69 HB2 HIS 5 1.488 -10.882 -3.140 1.00 73.13 ATOM 70 CG HIS 5 3.059 -9.525 -2.833 1.00 14.14 ATOM 71 ND1 HIS 5 3.447 -10.028 -1.613 1.00 61.43 ATOM 72 HD1 HIS 5 2.940 -10.674 -1.072 1.00 40.22 ATOM 73 CD2 HIS 5 4.053 -8.691 -3.223 1.00 30.12 ATOM 74 HD2 HIS 5 4.089 -8.122 -4.142 1.00 64.13 ATOM 75 CE1 HIS 5 4.616 -9.521 -1.279 1.00 43.35 ATOM 76 HE1 HIS 5 5.161 -9.739 -0.373 1.00 11.44 ATOM 77 NE2 HIS 5 5.008 -8.707 -2.237 1.00 22.22 ATOM 78 HE2 HIS 5 5.708 -8.026 -2.129 1.00 37.41 ATOM 79 C HIS 5 0.021 -9.065 -1.863 1.00 75.21 ATOM 80 O HIS 5 0.672 -9.561 -0.943 1.00 41.10 ATOM 81 N HIS 6 -1.223 -8.608 -1.703 1.00 34.42 ATOM 82 HN HIS 6 -1.645 -8.126 -2.449 1.00 37.41 ATOM 83 CA HIS 6 -1.987 -8.784 -0.460 1.00 21.33 ATOM 84 HA HIS 6 -1.475 -9.521 0.145 1.00 20.33 ATOM 85 CB HIS 6 -2.075 -7.462 0.324 1.00 3.20 ATOM 86 HB1 HIS 6 -2.808 -7.567 1.112 1.00 37.41 ATOM 87 HB2 HIS 6 -2.392 -6.677 -0.347 1.00 42.12 ATOM 88 CG HIS 6 -0.781 -7.031 0.955 1.00 54.44 ATOM 89 ND1 HIS 6 -0.170 -5.823 0.689 1.00 53.31 ATOM 90 HD1 HIS 6 -0.488 -5.143 0.057 1.00 3.40 ATOM 91 CD2 HIS 6 0.001 -7.645 1.877 1.00 54.45 ATOM 92 HD2 HIS 6 -0.175 -8.614 2.321 1.00 45.01 ATOM 93 CE1 HIS 6 0.925 -5.715 1.414 1.00 4.41 ATOM 94 HE1 HIS 6 1.600 -4.872 1.415 1.00 1.24 ATOM 95 NE2 HIS 6 1.053 -6.804 2.143 1.00 0.51 ATOM 96 HE2 HIS 6 1.877 -7.069 2.607 1.00 37.41 ATOM 97 C HIS 6 -3.401 -9.303 -0.772 1.00 75.51 ATOM 98 O HIS 6 -3.945 -9.043 -1.846 1.00 20.52 ATOM 99 N HIS 7 -3.987 -10.047 0.162 1.00 52.31 ATOM 100 HN HIS 7 -3.512 -10.211 1.005 1.00 37.41 ATOM 101 CA HIS 7 -5.327 -10.625 -0.026 1.00 1.32 ATOM 102 HA HIS 7 -5.865 -9.992 -0.719 1.00 41.02 ATOM 103 CB HIS 7 -5.227 -12.038 -0.628 1.00 0.33 ATOM 104 HB1 HIS 7 -6.140 -12.581 -0.416 1.00 37.41 ATOM 105 HB2 HIS 7 -4.397 -12.558 -0.172 1.00 15.33 ATOM 106 CG HIS 7 -5.018 -12.053 -2.112 1.00 30.20 ATOM 107 ND1 HIS 7 -3.777 -11.970 -2.705 1.00 64.11 ATOM 108 HD1 HIS 7 -2.922 -11.900 -2.237 1.00 43.20 ATOM 109 CD2 HIS 7 -5.909 -12.140 -3.128 1.00 14.04 ATOM 110 HD2 HIS 7 -6.982 -12.227 -3.034 1.00 4.44 ATOM 111 CE1 HIS 7 -3.913 -12.000 -4.016 1.00 1.11 ATOM 112 HE1 HIS 7 -3.110 -11.945 -4.736 1.00 31.05 ATOM 113 NE2 HIS 7 -5.194 -12.106 -4.298 1.00 2.10 ATOM 114 HE2 HIS 7 -5.581 -11.997 -5.194 1.00 37.41 ATOM 115 C HIS 7 -6.121 -10.685 1.285 1.00 1.23 ATOM 116 O HIS 7 -5.748 -11.395 2.220 1.00 30.05 ATOM 117 N HIS 8 -7.217 -9.934 1.342 1.00 21.02 ATOM 118 HN HIS 8 -7.403 -9.309 0.610 1.00 37.41 ATOM 119 CA HIS 8 -8.154 -10.020 2.463 1.00 14.11 ATOM 120 HA HIS 8 -7.580 -10.121 3.374 1.00 12.41 ATOM 121 CB HIS 8 -9.006 -8.743 2.538 1.00 22.33 ATOM 122 HB1 HIS 8 -9.637 -8.688 1.662 1.00 37.41 ATOM 123 HB2 HIS 8 -8.351 -7.884 2.553 1.00 35.22 ATOM 124 CG HIS 8 -9.889 -8.660 3.749 1.00 4.43 ATOM 125 ND1 HIS 8 -11.265 -8.741 3.689 1.00 72.43 ATOM 126 HD1 HIS 8 -11.802 -8.852 2.874 1.00 41.11 ATOM 127 CD2 HIS 8 -9.585 -8.484 5.058 1.00 23.44 ATOM 128 HD2 HIS 8 -8.595 -8.378 5.478 1.00 35.44 ATOM 129 CE1 HIS 8 -11.764 -8.619 4.903 1.00 73.51 ATOM 130 HE1 HIS 8 -12.812 -8.650 5.160 1.00 44.34 ATOM 131 NE2 HIS 8 -10.770 -8.462 5.750 1.00 15.43 ATOM 132 HE2 HIS 8 -10.872 -8.184 6.684 1.00 37.41 ATOM 133 C HIS 8 -9.045 -11.261 2.291 1.00 53.51 ATOM 134 O HIS 8 -9.506 -11.858 3.262 1.00 41.01 ATOM 135 N SER 9 -9.277 -11.636 1.034 1.00 72.22 ATOM 136 HN SER 9 -8.952 -11.066 0.306 1.00 37.41 ATOM 137 CA SER 9 -9.996 -12.870 0.688 1.00 65.00 ATOM 138 HA SER 9 -10.552 -13.197 1.557 1.00 34.40 ATOM 139 CB SER 9 -10.972 -12.609 -0.469 1.00 25.33 ATOM 140 HB1 SER 9 -11.686 -11.856 -0.170 1.00 37.41 ATOM 141 HB2 SER 9 -11.497 -13.523 -0.712 1.00 13.34 ATOM 142 OG SER 9 -10.289 -12.153 -1.632 1.00 61.44 ATOM 143 HG SER 9 -9.567 -12.763 -1.843 1.00 15.43 ATOM 144 C SER 9 -9.004 -13.968 0.283 1.00 55.52 ATOM 145 O SER 9 -8.181 -13.762 -0.611 1.00 14.12 ATOM 146 N HIS 10 -9.099 -15.135 0.924 1.00 1.34 ATOM 147 HN HIS 10 -9.838 -15.268 1.558 1.00 37.41 ATOM 148 CA HIS 10 -8.139 -16.232 0.711 1.00 53.44 ATOM 149 HA HIS 10 -8.416 -17.032 1.384 1.00 43.33 ATOM 150 CB HIS 10 -8.213 -16.760 -0.734 1.00 63.31 ATOM 151 HB1 HIS 10 -7.420 -17.478 -0.891 1.00 37.41 ATOM 152 HB2 HIS 10 -8.081 -15.934 -1.419 1.00 65.54 ATOM 153 CG HIS 10 -9.513 -17.429 -1.072 1.00 32.13 ATOM 154 ND1 HIS 10 -9.605 -18.758 -1.426 1.00 31.54 ATOM 155 HD1 HIS 10 -8.853 -19.383 -1.510 1.00 74.40 ATOM 156 CD2 HIS 10 -10.779 -16.947 -1.113 1.00 63.32 ATOM 157 HD2 HIS 10 -11.089 -15.934 -0.895 1.00 73.11 ATOM 158 CE1 HIS 10 -10.863 -19.064 -1.668 1.00 15.33 ATOM 159 HE1 HIS 10 -11.232 -20.035 -1.963 1.00 43.31 ATOM 160 NE2 HIS 10 -11.596 -17.986 -1.488 1.00 22.33 ATOM 161 HE2 HIS 10 -12.525 -17.892 -1.785 1.00 37.41 ATOM 162 C HIS 10 -6.696 -15.797 1.051 1.00 4.14 ATOM 163 O HIS 10 -5.866 -15.594 0.159 1.00 43.34 ATOM 164 N PRO 11 -6.383 -15.635 2.353 1.00 43.43 ATOM 165 CA PRO 11 -5.055 -15.192 2.803 1.00 13.15 ATOM 166 HA PRO 11 -4.676 -14.394 2.179 1.00 72.04 ATOM 167 CB PRO 11 -5.341 -14.651 4.206 1.00 34.44 ATOM 168 HB1 PRO 11 -5.619 -13.608 4.144 1.00 37.41 ATOM 169 HB2 PRO 11 -4.462 -14.757 4.828 1.00 4.32 ATOM 170 CG PRO 11 -6.474 -15.486 4.706 1.00 72.54 ATOM 171 HG1 PRO 11 -7.069 -14.915 5.404 1.00 37.41 ATOM 172 HG2 PRO 11 -6.090 -16.377 5.185 1.00 51.33 ATOM 173 CD PRO 11 -7.301 -15.856 3.492 1.00 13.42 ATOM 174 HD1 PRO 11 -8.169 -15.215 3.416 1.00 37.41 ATOM 175 HD2 PRO 11 -7.604 -16.893 3.544 1.00 34.43 ATOM 176 C PRO 11 -4.017 -16.333 2.852 1.00 74.12 ATOM 177 O PRO 11 -4.325 -17.453 3.261 1.00 71.44 ATOM 178 N ASN 12 -2.786 -16.028 2.440 1.00 4.11 ATOM 179 HN ASN 12 -2.608 -15.115 2.137 1.00 37.41 ATOM 180 CA ASN 12 -1.688 -17.011 2.417 1.00 5.54 ATOM 181 HA ASN 12 -2.008 -17.838 1.800 1.00 53.34 ATOM 182 CB ASN 12 -0.445 -16.368 1.769 1.00 44.23 ATOM 183 HB1 ASN 12 -0.290 -15.390 2.204 1.00 37.41 ATOM 184 HB2 ASN 12 -0.619 -16.258 0.709 1.00 61.53 ATOM 185 CG ASN 12 0.825 -17.183 1.959 1.00 2.35 ATOM 186 OD1 ASN 12 1.602 -16.939 2.875 1.00 42.33 ATOM 187 ND2 ASN 12 1.026 -18.177 1.122 1.00 13.52 ATOM 188 HD21 ASN 12 0.359 -18.339 0.424 1.00 22.42 ATOM 189 HD22 ASN 12 1.836 -18.718 1.235 1.00 42.42 ATOM 190 C ASN 12 -1.348 -17.554 3.823 1.00 23.11 ATOM 191 O ASN 12 -1.712 -16.958 4.842 1.00 75.12 ATOM 192 N GLU 13 -0.634 -18.686 3.854 1.00 41.13 ATOM 193 HN GLU 13 -0.411 -19.122 3.005 1.00 37.41 ATOM 194 CA GLU 13 -0.175 -19.314 5.104 1.00 64.34 ATOM 195 HA GLU 13 -1.033 -19.749 5.598 1.00 42.35 ATOM 196 CB GLU 13 0.831 -20.424 4.775 1.00 1.52 ATOM 197 HB1 GLU 13 1.641 -19.996 4.199 1.00 37.41 ATOM 198 HB2 GLU 13 0.337 -21.175 4.177 1.00 73.21 ATOM 199 CG GLU 13 1.426 -21.108 6.001 1.00 50.43 ATOM 200 HG1 GLU 13 0.683 -21.770 6.424 1.00 37.41 ATOM 201 HG2 GLU 13 1.687 -20.352 6.730 1.00 61.12 ATOM 202 CD GLU 13 2.669 -21.915 5.667 1.00 43.22 ATOM 203 OE1 GLU 13 3.787 -21.367 5.776 1.00 23.44 ATOM 204 OE2 GLU 13 2.539 -23.097 5.287 1.00 4.23 ATOM 205 C GLU 13 0.492 -18.296 6.046 1.00 42.51 ATOM 206 O GLU 13 0.062 -18.117 7.183 1.00 24.34 ATOM 207 N GLU 14 1.538 -17.634 5.557 1.00 72.44 ATOM 208 HN GLU 14 1.829 -17.827 4.640 1.00 37.41 ATOM 209 CA GLU 14 2.277 -16.630 6.336 1.00 63.54 ATOM 210 HA GLU 14 2.737 -17.133 7.175 1.00 1.34 ATOM 211 CB GLU 14 3.379 -16.014 5.460 1.00 61.55 ATOM 212 HB1 GLU 14 2.919 -15.569 4.587 1.00 37.41 ATOM 213 HB2 GLU 14 4.045 -16.802 5.137 1.00 41.15 ATOM 214 CG GLU 14 4.213 -14.945 6.157 1.00 0.05 ATOM 215 HG1 GLU 14 4.732 -15.396 6.992 1.00 37.41 ATOM 216 HG2 GLU 14 3.552 -14.173 6.524 1.00 61.23 ATOM 217 CD GLU 14 5.237 -14.312 5.229 1.00 44.04 ATOM 218 OE1 GLU 14 4.906 -13.300 4.575 1.00 24.43 ATOM 219 OE2 GLU 14 6.373 -14.828 5.143 1.00 72.12 ATOM 220 C GLU 14 1.347 -15.524 6.867 1.00 75.23 ATOM 221 O GLU 14 1.496 -15.057 8.001 1.00 32.35 ATOM 222 N ALA 15 0.376 -15.125 6.043 1.00 15.14 ATOM 223 HN ALA 15 0.291 -15.560 5.171 1.00 37.41 ATOM 224 CA ALA 15 -0.572 -14.063 6.405 1.00 40.42 ATOM 225 HA ALA 15 0.002 -13.200 6.719 1.00 51.51 ATOM 226 CB ALA 15 -1.399 -13.659 5.186 1.00 22.43 ATOM 227 HB1 ALA 15 -2.002 -14.497 4.865 1.00 44.24 ATOM 228 HB2 ALA 15 -0.740 -13.363 4.383 1.00 10.12 ATOM 229 HB3 ALA 15 -2.044 -12.831 5.444 1.00 20.43 ATOM 230 C ALA 15 -1.495 -14.491 7.560 1.00 14.22 ATOM 231 O ALA 15 -1.662 -13.762 8.540 1.00 50.10 ATOM 232 N ARG 16 -2.094 -15.676 7.440 1.00 13.41 ATOM 233 HN ARG 16 -1.940 -16.207 6.630 1.00 37.41 ATOM 234 CA ARG 16 -2.977 -16.204 8.490 1.00 72.20 ATOM 235 HA ARG 16 -3.661 -15.413 8.771 1.00 65.11 ATOM 236 CB ARG 16 -3.792 -17.394 7.964 1.00 52.42 ATOM 237 HB1 ARG 16 -4.350 -17.076 7.094 1.00 37.41 ATOM 238 HB2 ARG 16 -4.489 -17.705 8.730 1.00 24.23 ATOM 239 CG ARG 16 -2.945 -18.600 7.574 1.00 1.54 ATOM 240 HG1 ARG 16 -2.440 -18.974 8.456 1.00 37.41 ATOM 241 HG2 ARG 16 -2.210 -18.289 6.846 1.00 2.53 ATOM 242 CD ARG 16 -3.785 -19.721 6.974 1.00 14.01 ATOM 243 HD1 ARG 16 -4.595 -19.948 7.652 1.00 37.41 ATOM 244 HD2 ARG 16 -3.161 -20.596 6.858 1.00 41.01 ATOM 245 NE ARG 16 -4.342 -19.364 5.671 1.00 64.41 ATOM 246 HE ARG 16 -4.369 -18.419 5.430 1.00 1.21 ATOM 247 CZ ARG 16 -4.804 -20.234 4.813 1.00 2.32 ATOM 248 NH1 ARG 16 -4.770 -21.500 5.075 1.00 75.41 ATOM 249 HH11 ARG 16 -4.385 -21.823 5.935 1.00 51.34 ATOM 250 HH12 ARG 16 -5.140 -22.154 4.421 1.00 11.04 ATOM 251 NH2 ARG 16 -5.282 -19.834 3.682 1.00 2.03 ATOM 252 HH21 ARG 16 -5.297 -18.862 3.464 1.00 60.13 ATOM 253 HH22 ARG 16 -5.623 -20.501 3.023 1.00 55.43 ATOM 254 C ARG 16 -2.169 -16.612 9.735 1.00 2.14 ATOM 255 O ARG 16 -2.650 -16.512 10.865 1.00 13.13 ATOM 256 N LEU 17 -0.941 -17.081 9.508 1.00 54.22 ATOM 257 HN LEU 17 -0.653 -17.212 8.584 1.00 37.41 ATOM 258 CA LEU 17 -0.007 -17.409 10.592 1.00 63.53 ATOM 259 HA LEU 17 -0.433 -18.221 11.164 1.00 53.14 ATOM 260 CB LEU 17 1.339 -17.863 10.002 1.00 74.14 ATOM 261 HB1 LEU 17 1.631 -17.145 9.247 1.00 37.41 ATOM 262 HB2 LEU 17 1.190 -18.819 9.520 1.00 30.40 ATOM 263 CG LEU 17 2.504 -18.003 11.003 1.00 71.42 ATOM 264 HG LEU 17 2.625 -17.065 11.528 1.00 25.44 ATOM 265 CD1 LEU 17 2.216 -19.077 12.049 1.00 45.43 ATOM 266 HD11 LEU 17 2.088 -20.034 11.563 1.00 2.23 ATOM 267 HD12 LEU 17 1.315 -18.824 12.589 1.00 0.10 ATOM 268 HD13 LEU 17 3.044 -19.132 12.742 1.00 33.42 ATOM 269 CD2 LEU 17 3.811 -18.294 10.268 1.00 73.20 ATOM 270 HD21 LEU 17 3.717 -19.215 9.711 1.00 54.34 ATOM 271 HD22 LEU 17 4.615 -18.385 10.984 1.00 13.10 ATOM 272 HD23 LEU 17 4.028 -17.482 9.589 1.00 34.43 ATOM 273 C LEU 17 0.207 -16.205 11.515 1.00 24.30 ATOM 274 O LEU 17 0.213 -16.342 12.739 1.00 23.41 ATOM 275 N ASP 18 0.375 -15.027 10.918 1.00 71.21 ATOM 276 HN ASP 18 0.361 -14.982 9.937 1.00 37.41 ATOM 277 CA ASP 18 0.589 -13.799 11.683 1.00 4.43 ATOM 278 HA ASP 18 1.492 -13.929 12.263 1.00 41.11 ATOM 279 CB ASP 18 0.778 -12.614 10.733 1.00 22.55 ATOM 280 HB1 ASP 18 -0.181 -12.334 10.320 1.00 37.41 ATOM 281 HB2 ASP 18 1.439 -12.907 9.929 1.00 22.41 ATOM 282 CG ASP 18 1.376 -11.410 11.436 1.00 72.33 ATOM 283 OD1 ASP 18 2.521 -11.518 11.929 1.00 43.23 ATOM 284 OD2 ASP 18 0.719 -10.350 11.486 1.00 50.11 ATOM 285 C ASP 18 -0.579 -13.538 12.648 1.00 12.43 ATOM 286 O ASP 18 -0.377 -13.117 13.784 1.00 55.04 ATOM 287 N ILE 19 -1.797 -13.817 12.189 1.00 41.13 ATOM 288 HN ILE 19 -1.892 -14.128 11.265 1.00 37.41 ATOM 289 CA ILE 19 -2.997 -13.675 13.021 1.00 24.32 ATOM 290 HA ILE 19 -3.062 -12.646 13.349 1.00 65.54 ATOM 291 CB ILE 19 -4.272 -14.016 12.210 1.00 71.34 ATOM 292 HB ILE 19 -4.273 -15.081 12.013 1.00 2.01 ATOM 293 CG1 ILE 19 -4.275 -13.261 10.870 1.00 35.11 ATOM 294 HG11 ILE 19 -3.336 -13.436 10.364 1.00 37.41 ATOM 295 HG12 ILE 19 -4.385 -12.203 11.057 1.00 52.13 ATOM 296 CG2 ILE 19 -5.527 -13.682 13.016 1.00 1.11 ATOM 297 HG21 ILE 19 -5.523 -14.242 13.940 1.00 21.32 ATOM 298 HG22 ILE 19 -6.406 -13.944 12.443 1.00 32.21 ATOM 299 HG23 ILE 19 -5.544 -12.624 13.236 1.00 32.33 ATOM 300 CD1 ILE 19 -5.390 -13.683 9.937 1.00 62.41 ATOM 301 HD11 ILE 19 -5.319 -13.123 9.017 1.00 41.02 ATOM 302 HD12 ILE 19 -6.344 -13.488 10.405 1.00 33.14 ATOM 303 HD13 ILE 19 -5.301 -14.739 9.723 1.00 61.14 ATOM 304 C ILE 19 -2.919 -14.595 14.254 1.00 70.51 ATOM 305 O ILE 19 -3.158 -14.168 15.390 1.00 71.20 ATOM 306 N LEU 20 -2.578 -15.860 14.016 1.00 20.00 ATOM 307 HN LEU 20 -2.458 -16.148 13.085 1.00 37.41 ATOM 308 CA LEU 20 -2.375 -16.838 15.093 1.00 52.42 ATOM 309 HA LEU 20 -3.307 -16.940 15.630 1.00 15.11 ATOM 310 CB LEU 20 -1.994 -18.199 14.490 1.00 64.01 ATOM 311 HB1 LEU 20 -1.689 -18.856 15.293 1.00 37.41 ATOM 312 HB2 LEU 20 -1.149 -18.051 13.830 1.00 21.12 ATOM 313 CG LEU 20 -3.114 -18.895 13.697 1.00 53.54 ATOM 314 HG LEU 20 -3.596 -18.169 13.056 1.00 12.42 ATOM 315 CD1 LEU 20 -2.551 -19.999 12.806 1.00 31.23 ATOM 316 HD11 LEU 20 -1.841 -19.573 12.112 1.00 0.32 ATOM 317 HD12 LEU 20 -3.357 -20.462 12.253 1.00 31.40 ATOM 318 HD13 LEU 20 -2.057 -20.742 13.415 1.00 72.04 ATOM 319 CD2 LEU 20 -4.172 -19.460 14.647 1.00 44.32 ATOM 320 HD21 LEU 20 -3.717 -20.190 15.303 1.00 72.44 ATOM 321 HD22 LEU 20 -4.958 -19.932 14.075 1.00 42.24 ATOM 322 HD23 LEU 20 -4.591 -18.658 15.238 1.00 52.24 ATOM 323 C LEU 20 -1.288 -16.363 16.072 1.00 41.33 ATOM 324 O LEU 20 -1.432 -16.488 17.292 1.00 75.04 ATOM 325 N LYS 21 -0.205 -15.816 15.525 1.00 13.44 ATOM 326 HN LYS 21 -0.125 -15.805 14.546 1.00 37.41 ATOM 327 CA LYS 21 0.872 -15.231 16.330 1.00 3.11 ATOM 328 HA LYS 21 1.277 -16.012 16.958 1.00 43.12 ATOM 329 CB LYS 21 1.983 -14.707 15.403 1.00 53.42 ATOM 330 HB1 LYS 21 2.703 -14.158 15.996 1.00 37.41 ATOM 331 HB2 LYS 21 1.543 -14.033 14.680 1.00 30.52 ATOM 332 CG LYS 21 2.730 -15.807 14.643 1.00 13.40 ATOM 333 HG1 LYS 21 2.042 -16.614 14.430 1.00 37.41 ATOM 334 HG2 LYS 21 3.535 -16.176 15.262 1.00 11.31 ATOM 335 CD LYS 21 3.316 -15.298 13.323 1.00 72.01 ATOM 336 HD1 LYS 21 2.503 -14.990 12.683 1.00 37.41 ATOM 337 HD2 LYS 21 3.855 -16.106 12.849 1.00 3.00 ATOM 338 CE LYS 21 4.268 -14.124 13.511 1.00 12.15 ATOM 339 HE1 LYS 21 5.203 -14.495 13.905 1.00 37.41 ATOM 340 HE2 LYS 21 3.833 -13.429 14.211 1.00 72.30 ATOM 341 NZ LYS 21 4.532 -13.412 12.227 1.00 31.14 ATOM 342 HZ1 LYS 21 5.277 -12.699 12.361 1.00 24.14 ATOM 343 HZ2 LYS 21 3.668 -12.931 11.899 1.00 15.14 ATOM 344 HZ3 LYS 21 4.836 -14.082 11.494 1.00 32.43 ATOM 345 C LYS 21 0.343 -14.095 17.228 1.00 52.30 ATOM 346 O LYS 21 0.536 -14.112 18.440 1.00 14.53 ATOM 347 N ILE 22 -0.347 -13.132 16.622 1.00 20.32 ATOM 348 HN ILE 22 -0.503 -13.201 15.656 1.00 37.41 ATOM 349 CA ILE 22 -0.883 -11.967 17.344 1.00 15.43 ATOM 350 HA ILE 22 -0.043 -11.409 17.734 1.00 52.23 ATOM 351 CB ILE 22 -1.666 -11.038 16.378 1.00 22.14 ATOM 352 HB ILE 22 -2.424 -11.631 15.885 1.00 31.11 ATOM 353 CG1 ILE 22 -0.722 -10.457 15.311 1.00 72.45 ATOM 354 HG11 ILE 22 -0.216 -11.268 14.806 1.00 37.41 ATOM 355 HG12 ILE 22 0.013 -9.828 15.792 1.00 3.11 ATOM 356 CG2 ILE 22 -2.373 -9.917 17.142 1.00 45.34 ATOM 357 HG21 ILE 22 -1.645 -9.338 17.691 1.00 34.01 ATOM 358 HG22 ILE 22 -3.087 -10.343 17.832 1.00 53.25 ATOM 359 HG23 ILE 22 -2.890 -9.274 16.444 1.00 62.02 ATOM 360 CD1 ILE 22 -1.427 -9.624 14.261 1.00 0.12 ATOM 361 HD11 ILE 22 -1.902 -8.776 14.732 1.00 65.44 ATOM 362 HD12 ILE 22 -2.175 -10.227 13.767 1.00 63.34 ATOM 363 HD13 ILE 22 -0.708 -9.276 13.535 1.00 13.43 ATOM 364 C ILE 22 -1.795 -12.368 18.521 1.00 4.05 ATOM 365 O ILE 22 -1.664 -11.840 19.628 1.00 55.23 ATOM 366 N HIS 23 -2.715 -13.301 18.284 1.00 73.35 ATOM 367 HN HIS 23 -2.762 -13.710 17.393 1.00 37.41 ATOM 368 CA HIS 23 -3.651 -13.736 19.333 1.00 13.14 ATOM 369 HA HIS 23 -4.075 -12.845 19.780 1.00 61.25 ATOM 370 CB HIS 23 -4.790 -14.570 18.732 1.00 34.34 ATOM 371 HB1 HIS 23 -5.355 -15.026 19.534 1.00 37.41 ATOM 372 HB2 HIS 23 -4.367 -15.348 18.114 1.00 1.00 ATOM 373 CG HIS 23 -5.750 -13.784 17.884 1.00 72.51 ATOM 374 ND1 HIS 23 -6.762 -13.012 18.412 1.00 51.31 ATOM 375 HD1 HIS 23 -6.946 -12.884 19.369 1.00 45.43 ATOM 376 CD2 HIS 23 -5.867 -13.670 16.538 1.00 12.44 ATOM 377 HD2 HIS 23 -5.240 -14.146 15.799 1.00 53.31 ATOM 378 CE1 HIS 23 -7.455 -12.463 17.437 1.00 61.13 ATOM 379 HE1 HIS 23 -8.308 -11.812 17.558 1.00 22.44 ATOM 380 NE2 HIS 23 -6.934 -12.844 16.291 1.00 12.52 ATOM 381 HE2 HIS 23 -7.361 -12.717 15.414 1.00 37.41 ATOM 382 C HIS 23 -2.946 -14.545 20.439 1.00 53.13 ATOM 383 O HIS 23 -3.233 -14.375 21.626 1.00 63.22 ATOM 384 N SER 24 -2.013 -15.411 20.047 1.00 30.40 ATOM 385 HN SER 24 -1.758 -15.441 19.099 1.00 37.41 ATOM 386 CA SER 24 -1.344 -16.317 20.997 1.00 23.05 ATOM 387 HA SER 24 -2.117 -16.824 21.559 1.00 4.25 ATOM 388 CB SER 24 -0.520 -17.369 20.242 1.00 54.34 ATOM 389 HB1 SER 24 -1.176 -17.950 19.610 1.00 37.41 ATOM 390 HB2 SER 24 -0.035 -18.025 20.952 1.00 22.43 ATOM 391 OG SER 24 0.474 -16.763 19.431 1.00 23.32 ATOM 392 HG SER 24 0.182 -16.769 18.514 1.00 65.22 ATOM 393 C SER 24 -0.443 -15.562 21.989 1.00 0.15 ATOM 394 O SER 24 -0.229 -16.020 23.111 1.00 24.44 ATOM 395 N ARG 25 0.068 -14.398 21.580 1.00 52.23 ATOM 396 HN ARG 25 -0.149 -14.079 20.677 1.00 37.41 ATOM 397 CA ARG 25 0.960 -13.586 22.433 1.00 15.34 ATOM 398 HA ARG 25 1.839 -14.179 22.641 1.00 3.31 ATOM 399 CB ARG 25 1.390 -12.314 21.687 1.00 33.23 ATOM 400 HB1 ARG 25 1.981 -11.699 22.354 1.00 37.41 ATOM 401 HB2 ARG 25 0.504 -11.765 21.398 1.00 23.43 ATOM 402 CG ARG 25 2.211 -12.584 20.433 1.00 61.21 ATOM 403 HG1 ARG 25 1.648 -13.237 19.784 1.00 37.41 ATOM 404 HG2 ARG 25 3.134 -13.069 20.715 1.00 13.54 ATOM 405 CD ARG 25 2.543 -11.305 19.677 1.00 62.01 ATOM 406 HD1 ARG 25 3.185 -10.690 20.293 1.00 37.41 ATOM 407 HD2 ARG 25 1.625 -10.772 19.470 1.00 35.52 ATOM 408 NE ARG 25 3.223 -11.591 18.418 1.00 53.25 ATOM 409 HE ARG 25 3.409 -12.526 18.211 1.00 64.44 ATOM 410 CZ ARG 25 3.579 -10.687 17.549 1.00 5.34 ATOM 411 NH1 ARG 25 3.399 -9.427 17.795 1.00 71.24 ATOM 412 HH11 ARG 25 2.988 -9.140 18.658 1.00 3.32 ATOM 413 HH12 ARG 25 3.672 -8.743 17.121 1.00 70.12 ATOM 414 NH2 ARG 25 4.145 -11.056 16.447 1.00 44.24 ATOM 415 HH21 ARG 25 4.306 -12.024 16.276 1.00 22.41 ATOM 416 HH22 ARG 25 4.408 -10.376 15.763 1.00 43.32 ATOM 417 C ARG 25 0.310 -13.194 23.772 1.00 4.40 ATOM 418 O ARG 25 1.005 -12.881 24.739 1.00 65.34 ATOM 419 N LYS 26 -1.019 -13.204 23.826 1.00 61.55 ATOM 420 HN LYS 26 -1.527 -13.472 23.030 1.00 37.41 ATOM 421 CA LYS 26 -1.745 -12.822 25.046 1.00 4.44 ATOM 422 HA LYS 26 -1.203 -12.008 25.505 1.00 23.43 ATOM 423 CB LYS 26 -3.159 -12.332 24.690 1.00 11.43 ATOM 424 HB1 LYS 26 -3.696 -12.128 25.607 1.00 37.41 ATOM 425 HB2 LYS 26 -3.673 -13.121 24.158 1.00 32.32 ATOM 426 CG LYS 26 -3.202 -11.068 23.819 1.00 34.42 ATOM 427 HG1 LYS 26 -4.133 -11.061 23.267 1.00 37.41 ATOM 428 HG2 LYS 26 -2.379 -11.101 23.119 1.00 33.34 ATOM 429 CD LYS 26 -3.102 -9.765 24.629 1.00 73.14 ATOM 430 HD1 LYS 26 -3.849 -9.784 25.411 1.00 37.41 ATOM 431 HD2 LYS 26 -3.302 -8.934 23.969 1.00 53.11 ATOM 432 CE LYS 26 -1.730 -9.554 25.265 1.00 60.24 ATOM 433 HE1 LYS 26 -0.980 -9.582 24.489 1.00 37.41 ATOM 434 HE2 LYS 26 -1.548 -10.350 25.972 1.00 51.11 ATOM 435 NZ LYS 26 -1.641 -8.252 25.978 1.00 52.04 ATOM 436 HZ1 LYS 26 -2.326 -8.221 26.760 1.00 73.32 ATOM 437 HZ2 LYS 26 -1.848 -7.472 25.324 1.00 1.31 ATOM 438 HZ3 LYS 26 -0.684 -8.114 26.363 1.00 61.34 ATOM 439 C LYS 26 -1.824 -13.977 26.060 1.00 3.32 ATOM 440 O LYS 26 -2.294 -13.796 27.185 1.00 12.21 ATOM 441 N MET 27 -1.356 -15.159 25.664 1.00 21.23 ATOM 442 HN MET 27 -0.967 -15.239 24.766 1.00 37.41 ATOM 443 CA MET 27 -1.392 -16.345 26.531 1.00 52.43 ATOM 444 HA MET 27 -1.705 -16.033 27.518 1.00 63.24 ATOM 445 CB MET 27 -2.404 -17.367 25.984 1.00 0.54 ATOM 446 HB1 MET 27 -2.405 -18.237 26.628 1.00 37.41 ATOM 447 HB2 MET 27 -2.095 -17.667 24.993 1.00 61.44 ATOM 448 CG MET 27 -3.831 -16.840 25.896 1.00 53.52 ATOM 449 HG1 MET 27 -3.843 -15.976 25.246 1.00 37.41 ATOM 450 HG2 MET 27 -4.154 -16.547 26.885 1.00 44.14 ATOM 451 SD MET 27 -4.986 -18.068 25.250 1.00 51.43 ATOM 452 CE MET 27 -4.354 -18.300 23.589 1.00 45.15 ATOM 453 HE1 MET 27 -4.970 -19.019 23.069 1.00 53.22 ATOM 454 HE2 MET 27 -3.337 -18.662 23.635 1.00 4.52 ATOM 455 HE3 MET 27 -4.377 -17.359 23.060 1.00 75.33 ATOM 456 C MET 27 -0.004 -16.998 26.638 1.00 44.14 ATOM 457 O MET 27 0.908 -16.670 25.880 1.00 12.21 ATOM 458 N ASN 28 0.155 -17.913 27.594 1.00 55.41 ATOM 459 HN ASN 28 -0.562 -18.059 28.243 1.00 37.41 ATOM 460 CA ASN 28 1.387 -18.702 27.692 1.00 51.04 ATOM 461 HA ASN 28 2.227 -18.033 27.548 1.00 73.52 ATOM 462 CB ASN 28 1.507 -19.380 29.064 1.00 51.33 ATOM 463 HB1 ASN 28 2.500 -19.794 29.169 1.00 37.41 ATOM 464 HB2 ASN 28 0.785 -20.181 29.126 1.00 14.14 ATOM 465 CG ASN 28 1.261 -18.432 30.219 1.00 43.44 ATOM 466 OD1 ASN 28 2.154 -17.714 30.655 1.00 4.21 ATOM 467 ND2 ASN 28 0.060 -18.455 30.755 1.00 71.44 ATOM 468 HD21 ASN 28 -0.601 -19.077 30.386 1.00 24.54 ATOM 469 HD22 ASN 28 -0.118 -17.856 31.509 1.00 4.21 ATOM 470 C ASN 28 1.402 -19.770 26.591 1.00 61.14 ATOM 471 O ASN 28 0.387 -20.416 26.333 1.00 62.21 ATOM 472 N LEU 29 2.543 -19.960 25.943 1.00 53.55 ATOM 473 HN LEU 29 3.330 -19.436 26.198 1.00 37.41 ATOM 474 CA LEU 29 2.652 -20.936 24.851 1.00 42.33 ATOM 475 HA LEU 29 1.697 -21.430 24.742 1.00 61.05 ATOM 476 CB LEU 29 2.996 -20.224 23.536 1.00 21.21 ATOM 477 HB1 LEU 29 3.062 -20.968 22.756 1.00 37.41 ATOM 478 HB2 LEU 29 3.968 -19.761 23.650 1.00 64.12 ATOM 479 CG LEU 29 2.000 -19.145 23.086 1.00 51.32 ATOM 480 HG LEU 29 1.954 -18.371 23.840 1.00 45.43 ATOM 481 CD1 LEU 29 2.466 -18.497 21.784 1.00 54.31 ATOM 482 HD11 LEU 29 3.439 -18.052 21.930 1.00 43.32 ATOM 483 HD12 LEU 29 1.763 -17.732 21.490 1.00 41.22 ATOM 484 HD13 LEU 29 2.526 -19.247 21.007 1.00 41.32 ATOM 485 CD2 LEU 29 0.596 -19.731 22.931 1.00 71.13 ATOM 486 HD21 LEU 29 0.610 -20.517 22.190 1.00 4.42 ATOM 487 HD22 LEU 29 -0.087 -18.954 22.618 1.00 60.34 ATOM 488 HD23 LEU 29 0.267 -20.134 23.879 1.00 71.24 ATOM 489 C LEU 29 3.721 -21.990 25.149 1.00 22.02 ATOM 490 O LEU 29 4.717 -21.706 25.816 1.00 32.55 ATOM 491 N THR 30 3.506 -23.213 24.662 1.00 10.13 ATOM 492 HN THR 30 2.641 -23.421 24.245 1.00 37.41 ATOM 493 CA THR 30 4.543 -24.249 24.738 1.00 55.01 ATOM 494 HA THR 30 4.878 -24.302 25.768 1.00 51.44 ATOM 495 CB THR 30 4.017 -25.649 24.327 1.00 33.34 ATOM 496 HB THR 30 3.218 -25.925 25.001 1.00 41.32 ATOM 497 OG1 THR 30 5.067 -26.623 24.435 1.00 51.30 ATOM 498 HG1 THR 30 4.728 -27.406 24.901 1.00 5.02 ATOM 499 CG2 THR 30 3.468 -25.647 22.905 1.00 55.23 ATOM 500 HG21 THR 30 2.648 -24.946 22.838 1.00 63.11 ATOM 501 HG22 THR 30 3.117 -26.636 22.654 1.00 73.43 ATOM 502 HG23 THR 30 4.248 -25.356 22.216 1.00 40.43 ATOM 503 C THR 30 5.735 -23.865 23.852 1.00 65.14 ATOM 504 O THR 30 5.565 -23.224 22.814 1.00 15.35 ATOM 505 N ARG 31 6.934 -24.256 24.266 1.00 11.40 ATOM 506 HN ARG 31 6.995 -24.861 25.034 1.00 37.41 ATOM 507 CA ARG 31 8.168 -23.816 23.601 1.00 52.53 ATOM 508 HA ARG 31 8.258 -22.750 23.756 1.00 35.34 ATOM 509 CB ARG 31 9.376 -24.505 24.247 1.00 25.02 ATOM 510 HB1 ARG 31 10.281 -24.103 23.814 1.00 37.41 ATOM 511 HB2 ARG 31 9.326 -25.563 24.032 1.00 44.11 ATOM 512 CG ARG 31 9.450 -24.328 25.766 1.00 45.51 ATOM 513 HG1 ARG 31 10.329 -24.840 26.134 1.00 37.41 ATOM 514 HG2 ARG 31 8.570 -24.766 26.213 1.00 3.21 ATOM 515 CD ARG 31 9.527 -22.860 26.176 1.00 43.24 ATOM 516 HD1 ARG 31 8.652 -22.348 25.803 1.00 37.41 ATOM 517 HD2 ARG 31 10.413 -22.422 25.740 1.00 34.02 ATOM 518 NE ARG 31 9.589 -22.698 27.628 1.00 72.14 ATOM 519 HE ARG 31 9.935 -23.446 28.155 1.00 31.43 ATOM 520 CZ ARG 31 9.208 -21.624 28.266 1.00 72.45 ATOM 521 NH1 ARG 31 8.765 -20.589 27.627 1.00 61.41 ATOM 522 HH11 ARG 31 8.710 -20.599 26.631 1.00 32.10 ATOM 523 HH12 ARG 31 8.480 -19.780 28.136 1.00 10.30 ATOM 524 NH2 ARG 31 9.284 -21.584 29.553 1.00 2.52 ATOM 525 HH21 ARG 31 9.636 -22.371 30.056 1.00 12.01 ATOM 526 HH22 ARG 31 8.982 -20.769 30.042 1.00 31.04 ATOM 527 C ARG 31 8.142 -24.084 22.083 1.00 22.11 ATOM 528 O ARG 31 8.456 -23.201 21.278 1.00 11.21 ATOM 529 N GLY 32 7.757 -25.297 21.701 1.00 61.43 ATOM 530 HN GLY 32 7.511 -25.956 22.381 1.00 37.41 ATOM 531 CA GLY 32 7.697 -25.660 20.288 1.00 42.33 ATOM 532 HA1 GLY 32 8.151 -26.632 20.166 1.00 37.41 ATOM 533 HA2 GLY 32 8.264 -24.940 19.714 1.00 32.14 ATOM 534 C GLY 32 6.274 -25.712 19.737 1.00 33.33 ATOM 535 O GLY 32 5.853 -26.724 19.166 1.00 51.20 ATOM 536 N ILE 33 5.525 -24.625 19.909 1.00 55.34 ATOM 537 HN ILE 33 5.895 -23.863 20.402 1.00 37.41 ATOM 538 CA ILE 33 4.160 -24.545 19.383 1.00 60.54 ATOM 539 HA ILE 33 3.690 -25.506 19.559 1.00 24.32 ATOM 540 CB ILE 33 3.324 -23.463 20.124 1.00 63.43 ATOM 541 HB ILE 33 3.288 -23.739 21.170 1.00 50.13 ATOM 542 CG1 ILE 33 1.886 -23.422 19.576 1.00 32.03 ATOM 543 HG11 ILE 33 1.458 -24.414 19.631 1.00 37.41 ATOM 544 HG12 ILE 33 1.908 -23.105 18.543 1.00 40.35 ATOM 545 CG2 ILE 33 3.986 -22.085 20.036 1.00 42.13 ATOM 546 HG21 ILE 33 4.974 -22.130 20.474 1.00 33.44 ATOM 547 HG22 ILE 33 3.389 -21.363 20.574 1.00 0.53 ATOM 548 HG23 ILE 33 4.066 -21.785 19.001 1.00 31.32 ATOM 549 CD1 ILE 33 0.970 -22.479 20.328 1.00 31.32 ATOM 550 HD11 ILE 33 0.882 -22.805 21.355 1.00 44.21 ATOM 551 HD12 ILE 33 -0.006 -22.480 19.866 1.00 31.10 ATOM 552 HD13 ILE 33 1.379 -21.480 20.301 1.00 23.22 ATOM 553 C ILE 33 4.163 -24.277 17.865 1.00 62.33 ATOM 554 O ILE 33 4.575 -23.212 17.401 1.00 25.13 ATOM 555 N ASN 34 3.723 -25.263 17.089 1.00 11.41 ATOM 556 HN ASN 34 3.403 -26.090 17.507 1.00 37.41 ATOM 557 CA ASN 34 3.712 -25.150 15.628 1.00 40.03 ATOM 558 HA ASN 34 4.490 -24.452 15.343 1.00 0.03 ATOM 559 CB ASN 34 4.020 -26.517 14.995 1.00 52.53 ATOM 560 HB1 ASN 34 3.227 -27.206 15.245 1.00 37.41 ATOM 561 HB2 ASN 34 4.951 -26.891 15.401 1.00 71.43 ATOM 562 CG ASN 34 4.152 -26.463 13.480 1.00 74.05 ATOM 563 OD1 ASN 34 3.554 -25.624 12.815 1.00 1.25 ATOM 564 ND2 ASN 34 4.926 -27.367 12.919 1.00 34.14 ATOM 565 HD21 ASN 34 5.376 -28.020 13.498 1.00 2.41 ATOM 566 HD22 ASN 34 5.014 -27.354 11.943 1.00 60.14 ATOM 567 C ASN 34 2.361 -24.610 15.122 1.00 23.41 ATOM 568 O ASN 34 1.390 -25.356 14.986 1.00 64.41 ATOM 569 N LEU 35 2.306 -23.308 14.854 1.00 60.32 ATOM 570 HN LEU 35 3.094 -22.753 15.034 1.00 37.41 ATOM 571 CA LEU 35 1.092 -22.674 14.324 1.00 53.22 ATOM 572 HA LEU 35 0.242 -23.156 14.786 1.00 10.51 ATOM 573 CB LEU 35 1.072 -21.183 14.694 1.00 3.04 ATOM 574 HB1 LEU 35 0.208 -20.728 14.226 1.00 37.41 ATOM 575 HB2 LEU 35 1.962 -20.724 14.286 1.00 43.51 ATOM 576 CG LEU 35 1.018 -20.879 16.202 1.00 42.12 ATOM 577 HG LEU 35 1.866 -21.345 16.686 1.00 54.20 ATOM 578 CD1 LEU 35 1.106 -19.375 16.457 1.00 0.43 ATOM 579 HD11 LEU 35 0.280 -18.876 15.971 1.00 15.35 ATOM 580 HD12 LEU 35 2.037 -18.996 16.062 1.00 31.22 ATOM 581 HD13 LEU 35 1.065 -19.185 17.520 1.00 10.14 ATOM 582 CD2 LEU 35 -0.255 -21.460 16.821 1.00 32.11 ATOM 583 HD21 LEU 35 -1.122 -21.018 16.351 1.00 4.30 ATOM 584 HD22 LEU 35 -0.272 -21.245 17.880 1.00 64.55 ATOM 585 HD23 LEU 35 -0.272 -22.530 16.674 1.00 13.02 ATOM 586 C LEU 35 0.977 -22.848 12.797 1.00 52.12 ATOM 587 O LEU 35 -0.097 -22.665 12.223 1.00 73.43 ATOM 588 N ARG 36 2.080 -23.217 12.146 1.00 54.10 ATOM 589 HN ARG 36 2.906 -23.364 12.650 1.00 37.41 ATOM 590 CA ARG 36 2.085 -23.414 10.689 1.00 72.40 ATOM 591 HA ARG 36 1.700 -22.512 10.234 1.00 24.53 ATOM 592 CB ARG 36 3.514 -23.655 10.184 1.00 14.33 ATOM 593 HB1 ARG 36 3.857 -24.614 10.546 1.00 37.41 ATOM 594 HB2 ARG 36 4.158 -22.880 10.578 1.00 71.10 ATOM 595 CG ARG 36 3.628 -23.647 8.662 1.00 43.55 ATOM 596 HG1 ARG 36 3.344 -22.669 8.297 1.00 37.41 ATOM 597 HG2 ARG 36 2.956 -24.389 8.257 1.00 55.51 ATOM 598 CD ARG 36 5.044 -23.958 8.187 1.00 4.21 ATOM 599 HD1 ARG 36 5.252 -25.003 8.370 1.00 37.41 ATOM 600 HD2 ARG 36 5.743 -23.349 8.745 1.00 11.33 ATOM 601 NE ARG 36 5.208 -23.681 6.764 1.00 11.24 ATOM 602 HE ARG 36 4.575 -23.058 6.352 1.00 62.13 ATOM 603 CZ ARG 36 6.156 -24.171 6.017 1.00 63.32 ATOM 604 NH1 ARG 36 6.982 -25.051 6.485 1.00 34.22 ATOM 605 HH11 ARG 36 6.897 -25.366 7.428 1.00 35.41 ATOM 606 HH12 ARG 36 7.702 -25.415 5.900 1.00 54.22 ATOM 607 NH2 ARG 36 6.262 -23.796 4.786 1.00 51.14 ATOM 608 HH21 ARG 36 5.616 -23.133 4.408 1.00 74.31 ATOM 609 HH22 ARG 36 6.994 -24.161 4.217 1.00 43.01 ATOM 610 C ARG 36 1.184 -24.593 10.289 1.00 62.13 ATOM 611 O ARG 36 0.364 -24.482 9.376 1.00 41.44 ATOM 612 N LYS 37 1.347 -25.722 10.982 1.00 5.32 ATOM 613 HN LYS 37 2.072 -25.771 11.639 1.00 37.41 ATOM 614 CA LYS 37 0.490 -26.897 10.775 1.00 3.45 ATOM 615 HA LYS 37 0.671 -27.266 9.775 1.00 43.31 ATOM 616 CB LYS 37 0.860 -27.999 11.797 1.00 14.00 ATOM 617 HB1 LYS 37 0.483 -27.712 12.769 1.00 37.41 ATOM 618 HB2 LYS 37 1.939 -28.064 11.854 1.00 73.44 ATOM 619 CG LYS 37 0.324 -29.400 11.469 1.00 74.34 ATOM 620 HG1 LYS 37 0.889 -30.129 12.035 1.00 37.41 ATOM 621 HG2 LYS 37 0.470 -29.583 10.415 1.00 0.42 ATOM 622 CD LYS 37 -1.163 -29.572 11.788 1.00 63.45 ATOM 623 HD1 LYS 37 -1.520 -30.470 11.303 1.00 37.41 ATOM 624 HD2 LYS 37 -1.698 -28.721 11.400 1.00 43.34 ATOM 625 CE LYS 37 -1.446 -29.673 13.285 1.00 33.42 ATOM 626 HE1 LYS 37 -2.518 -29.646 13.436 1.00 37.41 ATOM 627 HE2 LYS 37 -0.995 -28.828 13.783 1.00 13.34 ATOM 628 NZ LYS 37 -0.908 -30.925 13.884 1.00 43.13 ATOM 629 HZ1 LYS 37 -1.247 -31.750 13.353 1.00 61.11 ATOM 630 HZ2 LYS 37 -1.226 -31.014 14.872 1.00 10.13 ATOM 631 HZ3 LYS 37 0.133 -30.919 13.864 1.00 34.12 ATOM 632 C LYS 37 -0.992 -26.500 10.899 1.00 74.13 ATOM 633 O LYS 37 -1.839 -26.935 10.119 1.00 44.41 ATOM 634 N ILE 38 -1.287 -25.642 11.875 1.00 50.55 ATOM 635 HN ILE 38 -0.568 -25.332 12.463 1.00 37.41 ATOM 636 CA ILE 38 -2.646 -25.136 12.086 1.00 21.33 ATOM 637 HA ILE 38 -3.300 -25.986 12.238 1.00 64.24 ATOM 638 CB ILE 38 -2.713 -24.231 13.345 1.00 21.44 ATOM 639 HB ILE 38 -2.103 -23.358 13.162 1.00 54.14 ATOM 640 CG1 ILE 38 -2.155 -24.976 14.573 1.00 11.20 ATOM 641 HG11 ILE 38 -2.248 -24.343 15.445 1.00 37.41 ATOM 642 HG12 ILE 38 -1.110 -25.199 14.409 1.00 64.14 ATOM 643 CG2 ILE 38 -4.144 -23.756 13.604 1.00 22.02 ATOM 644 HG21 ILE 38 -4.480 -23.151 12.774 1.00 23.03 ATOM 645 HG22 ILE 38 -4.172 -23.168 14.510 1.00 65.30 ATOM 646 HG23 ILE 38 -4.796 -24.612 13.712 1.00 52.21 ATOM 647 CD1 ILE 38 -2.862 -26.283 14.871 1.00 65.45 ATOM 648 HD11 ILE 38 -2.746 -26.955 14.034 1.00 21.12 ATOM 649 HD12 ILE 38 -3.913 -26.095 15.038 1.00 14.04 ATOM 650 HD13 ILE 38 -2.432 -26.730 15.755 1.00 35.21 ATOM 651 C ILE 38 -3.130 -24.349 10.856 1.00 23.14 ATOM 652 O ILE 38 -4.254 -24.529 10.388 1.00 52.34 ATOM 653 N ALA 39 -2.255 -23.493 10.328 1.00 2.34 ATOM 654 HN ALA 39 -1.380 -23.386 10.760 1.00 37.41 ATOM 655 CA ALA 39 -2.557 -22.702 9.129 1.00 32.02 ATOM 656 HA ALA 39 -3.436 -22.107 9.341 1.00 41.14 ATOM 657 CB ALA 39 -1.403 -21.750 8.828 1.00 51.41 ATOM 658 HB1 ALA 39 -1.645 -21.150 7.961 1.00 51.43 ATOM 659 HB2 ALA 39 -0.505 -22.318 8.631 1.00 11.31 ATOM 660 HB3 ALA 39 -1.239 -21.102 9.677 1.00 5.13 ATOM 661 C ALA 39 -2.850 -23.593 7.908 1.00 31.32 ATOM 662 O ALA 39 -3.637 -23.224 7.031 1.00 61.33 ATOM 663 N GLU 40 -2.205 -24.756 7.852 1.00 35.14 ATOM 664 HN GLU 40 -1.540 -24.964 8.546 1.00 37.41 ATOM 665 CA GLU 40 -2.445 -25.735 6.782 1.00 75.34 ATOM 666 HA GLU 40 -2.452 -25.195 5.845 1.00 4.45 ATOM 667 CB GLU 40 -1.310 -26.771 6.743 1.00 23.31 ATOM 668 HB1 GLU 40 -1.680 -27.683 6.292 1.00 37.41 ATOM 669 HB2 GLU 40 -0.998 -26.986 7.756 1.00 34.14 ATOM 670 CG GLU 40 -0.088 -26.311 5.955 1.00 51.01 ATOM 671 HG1 GLU 40 0.707 -27.030 6.093 1.00 37.41 ATOM 672 HG2 GLU 40 0.229 -25.349 6.333 1.00 53.10 ATOM 673 CD GLU 40 -0.379 -26.183 4.465 1.00 10.51 ATOM 674 OE1 GLU 40 -0.286 -27.203 3.747 1.00 65.03 ATOM 675 OE2 GLU 40 -0.731 -25.073 4.009 1.00 3.53 ATOM 676 C GLU 40 -3.801 -26.438 6.943 1.00 33.41 ATOM 677 O GLU 40 -4.442 -26.800 5.955 1.00 61.42 ATOM 678 N LEU 41 -4.236 -26.625 8.185 1.00 51.53 ATOM 679 HN LEU 41 -3.666 -26.350 8.938 1.00 37.41 ATOM 680 CA LEU 41 -5.537 -27.247 8.460 1.00 5.32 ATOM 681 HA LEU 41 -5.621 -28.125 7.836 1.00 62.02 ATOM 682 CB LEU 41 -5.627 -27.678 9.931 1.00 42.41 ATOM 683 HB1 LEU 41 -6.598 -28.122 10.093 1.00 37.41 ATOM 684 HB2 LEU 41 -5.551 -26.791 10.546 1.00 72.31 ATOM 685 CG LEU 41 -4.558 -28.681 10.397 1.00 0.10 ATOM 686 HG LEU 41 -3.585 -28.212 10.334 1.00 40.03 ATOM 687 CD1 LEU 41 -4.787 -29.075 11.855 1.00 61.03 ATOM 688 HD11 LEU 41 -4.049 -29.806 12.152 1.00 24.44 ATOM 689 HD12 LEU 41 -5.776 -29.498 11.966 1.00 20.53 ATOM 690 HD13 LEU 41 -4.698 -28.201 12.484 1.00 12.15 ATOM 691 CD2 LEU 41 -4.545 -29.916 9.498 1.00 11.44 ATOM 692 HD21 LEU 41 -3.792 -30.609 9.847 1.00 51.10 ATOM 693 HD22 LEU 41 -4.317 -29.623 8.483 1.00 62.21 ATOM 694 HD23 LEU 41 -5.514 -30.394 9.524 1.00 50.13 ATOM 695 C LEU 41 -6.706 -26.305 8.129 1.00 23.34 ATOM 696 O LEU 41 -7.868 -26.714 8.163 1.00 74.35 ATOM 697 N MET 42 -6.388 -25.052 7.816 1.00 42.41 ATOM 698 HN MET 42 -5.444 -24.800 7.794 1.00 37.41 ATOM 699 CA MET 42 -7.397 -24.030 7.509 1.00 40.55 ATOM 700 HA MET 42 -8.352 -24.369 7.888 1.00 52.41 ATOM 701 CB MET 42 -7.015 -22.720 8.219 1.00 24.33 ATOM 702 HB1 MET 42 -7.791 -21.990 8.041 1.00 37.41 ATOM 703 HB2 MET 42 -6.089 -22.354 7.799 1.00 73.40 ATOM 704 CG MET 42 -6.833 -22.865 9.726 1.00 13.12 ATOM 705 HG1 MET 42 -6.377 -21.962 10.108 1.00 37.41 ATOM 706 HG2 MET 42 -6.178 -23.703 9.916 1.00 24.52 ATOM 707 SD MET 42 -8.385 -23.142 10.601 1.00 52.42 ATOM 708 CE MET 42 -9.140 -21.524 10.481 1.00 61.14 ATOM 709 HE1 MET 42 -8.490 -20.789 10.931 1.00 45.41 ATOM 710 HE2 MET 42 -10.088 -21.531 10.998 1.00 43.43 ATOM 711 HE3 MET 42 -9.298 -21.277 9.443 1.00 33.33 ATOM 712 C MET 42 -7.514 -23.788 5.986 1.00 35.34 ATOM 713 O MET 42 -6.764 -22.995 5.420 1.00 34.51 ATOM 714 N PRO 43 -8.450 -24.474 5.297 1.00 11.30 ATOM 715 CA PRO 43 -8.647 -24.302 3.842 1.00 14.35 ATOM 716 HA PRO 43 -7.716 -24.421 3.303 1.00 22.32 ATOM 717 CB PRO 43 -9.597 -25.454 3.482 1.00 30.44 ATOM 718 HB1 PRO 43 -9.022 -26.316 3.173 1.00 37.41 ATOM 719 HB2 PRO 43 -10.258 -25.151 2.680 1.00 53.43 ATOM 720 CG PRO 43 -10.349 -25.725 4.741 1.00 54.50 ATOM 721 HG1 PRO 43 -10.688 -26.750 4.755 1.00 37.41 ATOM 722 HG2 PRO 43 -11.192 -25.050 4.820 1.00 44.13 ATOM 723 CD PRO 43 -9.373 -25.478 5.861 1.00 1.24 ATOM 724 HD1 PRO 43 -8.844 -26.388 6.109 1.00 37.41 ATOM 725 HD2 PRO 43 -9.882 -25.089 6.731 1.00 11.21 ATOM 726 C PRO 43 -9.273 -22.942 3.472 1.00 52.12 ATOM 727 O PRO 43 -10.449 -22.692 3.750 1.00 1.22 ATOM 728 N GLY 44 -8.468 -22.063 2.863 1.00 63.43 ATOM 729 HN GLY 44 -7.535 -22.312 2.695 1.00 37.41 ATOM 730 CA GLY 44 -8.951 -20.749 2.434 1.00 43.30 ATOM 731 HA1 GLY 44 -9.663 -20.889 1.634 1.00 37.41 ATOM 732 HA2 GLY 44 -8.112 -20.185 2.052 1.00 22.32 ATOM 733 C GLY 44 -9.614 -19.936 3.548 1.00 62.51 ATOM 734 O GLY 44 -10.427 -19.046 3.281 1.00 43.22 ATOM 735 N ALA 45 -9.258 -20.228 4.796 1.00 35.03 ATOM 736 HN ALA 45 -8.561 -20.900 4.946 1.00 37.41 ATOM 737 CA ALA 45 -9.881 -19.576 5.953 1.00 51.41 ATOM 738 HA ALA 45 -10.936 -19.464 5.738 1.00 3.24 ATOM 739 CB ALA 45 -9.750 -20.460 7.182 1.00 70.55 ATOM 740 HB1 ALA 45 -10.315 -20.032 7.997 1.00 31.13 ATOM 741 HB2 ALA 45 -8.711 -20.531 7.465 1.00 4.52 ATOM 742 HB3 ALA 45 -10.131 -21.447 6.960 1.00 54.25 ATOM 743 C ALA 45 -9.284 -18.187 6.228 1.00 44.12 ATOM 744 O ALA 45 -8.065 -18.009 6.235 1.00 3.11 ATOM 745 N SER 46 -10.155 -17.209 6.461 1.00 31.21 ATOM 746 HN SER 46 -11.112 -17.420 6.460 1.00 37.41 ATOM 747 CA SER 46 -9.731 -15.823 6.712 1.00 11.41 ATOM 748 HA SER 46 -8.784 -15.666 6.214 1.00 72.31 ATOM 749 CB SER 46 -10.762 -14.847 6.132 1.00 22.25 ATOM 750 HB1 SER 46 -10.918 -15.071 5.087 1.00 37.41 ATOM 751 HB2 SER 46 -10.396 -13.836 6.231 1.00 1.15 ATOM 752 OG SER 46 -12.010 -14.947 6.810 1.00 74.32 ATOM 753 HG SER 46 -12.579 -15.576 6.342 1.00 4.43 ATOM 754 C SER 46 -9.552 -15.538 8.212 1.00 14.52 ATOM 755 O SER 46 -9.775 -16.409 9.060 1.00 43.45 ATOM 756 N GLY 47 -9.159 -14.301 8.531 1.00 24.20 ATOM 757 HN GLY 47 -8.980 -13.658 7.810 1.00 37.41 ATOM 758 CA GLY 47 -8.972 -13.887 9.920 1.00 13.34 ATOM 759 HA1 GLY 47 -8.714 -12.837 9.934 1.00 37.41 ATOM 760 HA2 GLY 47 -8.152 -14.448 10.340 1.00 24.53 ATOM 761 C GLY 47 -10.205 -14.098 10.795 1.00 31.24 ATOM 762 O GLY 47 -10.090 -14.242 12.016 1.00 32.14 ATOM 763 N ALA 48 -11.384 -14.115 10.173 1.00 53.34 ATOM 764 HN ALA 48 -11.411 -13.954 9.206 1.00 37.41 ATOM 765 CA ALA 48 -12.638 -14.364 10.890 1.00 2.20 ATOM 766 HA ALA 48 -12.716 -13.637 11.689 1.00 50.43 ATOM 767 CB ALA 48 -13.826 -14.172 9.954 1.00 74.41 ATOM 768 HB1 ALA 48 -13.791 -13.182 9.523 1.00 65.31 ATOM 769 HB2 ALA 48 -14.746 -14.289 10.511 1.00 44.34 ATOM 770 HB3 ALA 48 -13.787 -14.910 9.166 1.00 32.14 ATOM 771 C ALA 48 -12.658 -15.775 11.497 1.00 31.45 ATOM 772 O ALA 48 -13.019 -15.962 12.661 1.00 41.24 ATOM 773 N GLU 49 -12.252 -16.763 10.699 1.00 71.32 ATOM 774 HN GLU 49 -11.981 -16.552 9.782 1.00 37.41 ATOM 775 CA GLU 49 -12.203 -18.156 11.155 1.00 32.43 ATOM 776 HA GLU 49 -13.135 -18.375 11.658 1.00 13.05 ATOM 777 CB GLU 49 -12.045 -19.110 9.958 1.00 70.01 ATOM 778 HB1 GLU 49 -12.207 -20.124 10.300 1.00 37.41 ATOM 779 HB2 GLU 49 -11.036 -19.029 9.579 1.00 43.15 ATOM 780 CG GLU 49 -13.009 -18.838 8.804 1.00 3.01 ATOM 781 HG1 GLU 49 -12.914 -19.636 8.080 1.00 37.41 ATOM 782 HG2 GLU 49 -12.733 -17.903 8.338 1.00 24.52 ATOM 783 CD GLU 49 -14.462 -18.753 9.244 1.00 63.42 ATOM 784 OE1 GLU 49 -15.020 -19.775 9.696 1.00 2.02 ATOM 785 OE2 GLU 49 -15.061 -17.664 9.128 1.00 75.31 ATOM 786 C GLU 49 -11.044 -18.365 12.141 1.00 44.51 ATOM 787 O GLU 49 -11.193 -19.028 13.170 1.00 45.14 ATOM 788 N VAL 50 -9.887 -17.787 11.813 1.00 42.34 ATOM 789 HN VAL 50 -9.827 -17.301 10.963 1.00 37.41 ATOM 790 CA VAL 50 -8.703 -17.860 12.676 1.00 22.21 ATOM 791 HA VAL 50 -8.422 -18.902 12.764 1.00 53.45 ATOM 792 CB VAL 50 -7.511 -17.087 12.053 1.00 12.43 ATOM 793 HB VAL 50 -7.800 -16.050 11.949 1.00 25.33 ATOM 794 CG1 VAL 50 -6.284 -17.146 12.959 1.00 11.42 ATOM 795 HG11 VAL 50 -6.011 -18.177 13.133 1.00 44.13 ATOM 796 HG12 VAL 50 -6.507 -16.670 13.903 1.00 21.43 ATOM 797 HG13 VAL 50 -5.460 -16.632 12.485 1.00 12.41 ATOM 798 CG2 VAL 50 -7.186 -17.629 10.661 1.00 44.11 ATOM 799 HG21 VAL 50 -8.054 -17.531 10.023 1.00 42.35 ATOM 800 HG22 VAL 50 -6.908 -18.671 10.732 1.00 52.24 ATOM 801 HG23 VAL 50 -6.366 -17.067 10.237 1.00 20.41 ATOM 802 C VAL 50 -9.000 -17.307 14.082 1.00 40.43 ATOM 803 O VAL 50 -8.489 -17.815 15.085 1.00 55.12 ATOM 804 N LYS 51 -9.836 -16.267 14.142 1.00 52.02 ATOM 805 HN LYS 51 -10.158 -15.869 13.305 1.00 37.41 ATOM 806 CA LYS 51 -10.287 -15.701 15.418 1.00 71.13 ATOM 807 HA LYS 51 -9.417 -15.342 15.949 1.00 63.12 ATOM 808 CB LYS 51 -11.237 -14.521 15.163 1.00 72.01 ATOM 809 HB1 LYS 51 -12.048 -14.860 14.533 1.00 37.41 ATOM 810 HB2 LYS 51 -10.694 -13.743 14.644 1.00 33.42 ATOM 811 CG LYS 51 -11.835 -13.921 16.434 1.00 31.55 ATOM 812 HG1 LYS 51 -11.032 -13.551 17.058 1.00 37.41 ATOM 813 HG2 LYS 51 -12.374 -14.693 16.964 1.00 62.24 ATOM 814 CD LYS 51 -12.798 -12.772 16.134 1.00 13.22 ATOM 815 HD1 LYS 51 -12.253 -11.978 15.641 1.00 37.41 ATOM 816 HD2 LYS 51 -13.201 -12.401 17.066 1.00 2.54 ATOM 817 CE LYS 51 -13.954 -13.207 15.238 1.00 15.15 ATOM 818 HE1 LYS 51 -14.429 -14.074 15.677 1.00 37.41 ATOM 819 HE2 LYS 51 -13.565 -13.465 14.265 1.00 62.21 ATOM 820 NZ LYS 51 -14.968 -12.131 15.080 1.00 33.22 ATOM 821 HZ1 LYS 51 -15.407 -11.919 16.000 1.00 11.21 ATOM 822 HZ2 LYS 51 -15.710 -12.426 14.417 1.00 3.20 ATOM 823 HZ3 LYS 51 -14.522 -11.262 14.716 1.00 23.33 ATOM 824 C LYS 51 -10.990 -16.767 16.276 1.00 0.24 ATOM 825 O LYS 51 -10.717 -16.900 17.471 1.00 13.13 ATOM 826 N GLY 52 -11.897 -17.521 15.656 1.00 0.22 ATOM 827 HN GLY 52 -12.101 -17.347 14.712 1.00 37.41 ATOM 828 CA GLY 52 -12.582 -18.603 16.356 1.00 34.33 ATOM 829 HA1 GLY 52 -13.281 -19.066 15.676 1.00 37.41 ATOM 830 HA2 GLY 52 -13.130 -18.191 17.192 1.00 62.33 ATOM 831 C GLY 52 -11.617 -19.668 16.871 1.00 43.24 ATOM 832 O GLY 52 -11.761 -20.164 17.990 1.00 23.45 ATOM 833 N VAL 53 -10.624 -20.006 16.051 1.00 12.52 ATOM 834 HN VAL 53 -10.572 -19.576 15.171 1.00 37.41 ATOM 835 CA VAL 53 -9.613 -21.006 16.414 1.00 21.21 ATOM 836 HA VAL 53 -10.129 -21.933 16.628 1.00 73.14 ATOM 837 CB VAL 53 -8.635 -21.262 15.240 1.00 41.00 ATOM 838 HB VAL 53 -8.165 -20.323 14.983 1.00 15.43 ATOM 839 CG1 VAL 53 -7.538 -22.249 15.642 1.00 22.24 ATOM 840 HG11 VAL 53 -6.968 -21.840 16.464 1.00 70.50 ATOM 841 HG12 VAL 53 -6.881 -22.422 14.801 1.00 62.34 ATOM 842 HG13 VAL 53 -7.986 -23.184 15.945 1.00 35.20 ATOM 843 CG2 VAL 53 -9.395 -21.763 14.012 1.00 12.15 ATOM 844 HG21 VAL 53 -9.902 -22.687 14.250 1.00 20.01 ATOM 845 HG22 VAL 53 -8.700 -21.933 13.202 1.00 10.11 ATOM 846 HG23 VAL 53 -10.122 -21.022 13.709 1.00 12.22 ATOM 847 C VAL 53 -8.812 -20.586 17.661 1.00 52.44 ATOM 848 O VAL 53 -8.722 -21.338 18.632 1.00 12.24 ATOM 849 N CYS 54 -8.237 -19.383 17.633 1.00 34.14 ATOM 850 HN CYS 54 -8.349 -18.818 16.836 1.00 37.41 ATOM 851 CA CYS 54 -7.440 -18.886 18.765 1.00 4.32 ATOM 852 HA CYS 54 -6.650 -19.602 18.948 1.00 64.21 ATOM 853 CB CYS 54 -6.809 -17.529 18.434 1.00 32.42 ATOM 854 HB1 CYS 54 -6.281 -17.605 17.494 1.00 37.41 ATOM 855 HB2 CYS 54 -6.106 -17.266 19.212 1.00 14.24 ATOM 856 SG CYS 54 -7.991 -16.169 18.287 1.00 30.12 ATOM 857 HG CYS 54 -8.080 -15.579 19.474 1.00 70.15 ATOM 858 C CYS 54 -8.294 -18.765 20.035 1.00 24.12 ATOM 859 O CYS 54 -7.816 -19.011 21.144 1.00 64.11 ATOM 860 N THR 55 -9.566 -18.398 19.865 1.00 62.32 ATOM 861 HN THR 55 -9.887 -18.206 18.956 1.00 37.41 ATOM 862 CA THR 55 -10.498 -18.281 20.995 1.00 75.34 ATOM 863 HA THR 55 -10.042 -17.634 21.735 1.00 62.25 ATOM 864 CB THR 55 -11.845 -17.648 20.563 1.00 61.10 ATOM 865 HB THR 55 -12.313 -18.297 19.836 1.00 32.03 ATOM 866 OG1 THR 55 -11.623 -16.359 19.961 1.00 13.33 ATOM 867 HG1 THR 55 -10.949 -16.437 19.273 1.00 34.21 ATOM 868 CG2 THR 55 -12.787 -17.493 21.754 1.00 44.11 ATOM 869 HG21 THR 55 -12.987 -18.463 22.187 1.00 12.34 ATOM 870 HG22 THR 55 -13.715 -17.049 21.425 1.00 72.41 ATOM 871 HG23 THR 55 -12.327 -16.855 22.496 1.00 45.20 ATOM 872 C THR 55 -10.772 -19.652 21.635 1.00 73.03 ATOM 873 O THR 55 -10.625 -19.824 22.847 1.00 33.02 ATOM 874 N GLU 56 -11.161 -20.626 20.808 1.00 12.42 ATOM 875 HN GLU 56 -11.263 -20.429 19.853 1.00 37.41 ATOM 876 CA GLU 56 -11.442 -21.987 21.288 1.00 14.21 ATOM 877 HA GLU 56 -12.213 -21.910 22.042 1.00 41.30 ATOM 878 CB GLU 56 -11.959 -22.871 20.144 1.00 23.32 ATOM 879 HB1 GLU 56 -12.013 -23.894 20.492 1.00 37.41 ATOM 880 HB2 GLU 56 -11.261 -22.819 19.321 1.00 41.11 ATOM 881 CG GLU 56 -13.335 -22.473 19.624 1.00 23.32 ATOM 882 HG1 GLU 56 -13.610 -23.148 18.825 1.00 37.41 ATOM 883 HG2 GLU 56 -13.282 -21.465 19.236 1.00 22.21 ATOM 884 CD GLU 56 -14.409 -22.532 20.701 1.00 11.00 ATOM 885 OE1 GLU 56 -14.628 -23.623 21.267 1.00 45.31 ATOM 886 OE2 GLU 56 -15.048 -21.495 20.974 1.00 14.02 ATOM 887 C GLU 56 -10.201 -22.627 21.926 1.00 62.14 ATOM 888 O GLU 56 -10.302 -23.285 22.961 1.00 11.20 ATOM 889 N ALA 57 -9.034 -22.427 21.309 1.00 40.42 ATOM 890 HN ALA 57 -9.023 -21.937 20.459 1.00 37.41 ATOM 891 CA ALA 57 -7.767 -22.925 21.863 1.00 55.03 ATOM 892 HA ALA 57 -7.804 -24.007 21.857 1.00 53.14 ATOM 893 CB ALA 57 -6.600 -22.485 20.985 1.00 10.42 ATOM 894 HB1 ALA 57 -5.678 -22.890 21.378 1.00 74.41 ATOM 895 HB2 ALA 57 -6.542 -21.406 20.974 1.00 43.53 ATOM 896 HB3 ALA 57 -6.748 -22.847 19.977 1.00 41.45 ATOM 897 C ALA 57 -7.564 -22.441 23.309 1.00 4.43 ATOM 898 O ALA 57 -7.197 -23.217 24.194 1.00 4.23 ATOM 899 N GLY 58 -7.815 -21.150 23.537 1.00 32.03 ATOM 900 HN GLY 58 -8.036 -20.564 22.781 1.00 37.41 ATOM 901 CA GLY 58 -7.760 -20.601 24.887 1.00 31.12 ATOM 902 HA1 GLY 58 -7.936 -19.537 24.839 1.00 37.41 ATOM 903 HA2 GLY 58 -6.773 -20.774 25.293 1.00 51.10 ATOM 904 C GLY 58 -8.796 -21.230 25.818 1.00 1.20 ATOM 905 O GLY 58 -8.505 -21.521 26.980 1.00 34.10 ATOM 906 N MET 59 -10.006 -21.456 25.302 1.00 43.34 ATOM 907 HN MET 59 -10.185 -21.184 24.375 1.00 37.41 ATOM 908 CA MET 59 -11.074 -22.105 26.075 1.00 74.23 ATOM 909 HA MET 59 -11.239 -21.516 26.965 1.00 33.13 ATOM 910 CB MET 59 -12.378 -22.161 25.262 1.00 1.21 ATOM 911 HB1 MET 59 -13.135 -22.644 25.865 1.00 37.41 ATOM 912 HB2 MET 59 -12.207 -22.756 24.377 1.00 3.41 ATOM 913 CG MET 59 -12.927 -20.801 24.820 1.00 10.21 ATOM 914 HG1 MET 59 -13.500 -20.941 23.913 1.00 37.41 ATOM 915 HG2 MET 59 -12.098 -20.140 24.615 1.00 34.43 ATOM 916 SD MET 59 -13.995 -20.016 26.055 1.00 23.32 ATOM 917 CE MET 59 -12.845 -19.632 27.375 1.00 3.20 ATOM 918 HE1 MET 59 -12.013 -19.069 26.978 1.00 55.25 ATOM 919 HE2 MET 59 -12.486 -20.549 27.816 1.00 1.24 ATOM 920 HE3 MET 59 -13.350 -19.045 28.127 1.00 64.22 ATOM 921 C MET 59 -10.665 -23.526 26.500 1.00 21.45 ATOM 922 O MET 59 -10.974 -23.965 27.609 1.00 22.11 ATOM 923 N TYR 60 -9.970 -24.238 25.613 1.00 1.32 ATOM 924 HN TYR 60 -9.792 -23.853 24.727 1.00 37.41 ATOM 925 CA TYR 60 -9.468 -25.582 25.922 1.00 73.33 ATOM 926 HA TYR 60 -10.310 -26.180 26.240 1.00 44.42 ATOM 927 CB TYR 60 -8.844 -26.229 24.678 1.00 25.22 ATOM 928 HB1 TYR 60 -8.476 -27.212 24.941 1.00 37.41 ATOM 929 HB2 TYR 60 -8.014 -25.621 24.345 1.00 72.35 ATOM 930 CG TYR 60 -9.806 -26.387 23.512 1.00 33.41 ATOM 931 CD1 TYR 60 -9.372 -26.240 22.198 1.00 42.35 ATOM 932 HD1 TYR 60 -8.333 -26.014 22.010 1.00 21.45 ATOM 933 CD2 TYR 60 -11.152 -26.678 23.723 1.00 32.35 ATOM 934 HD2 TYR 60 -11.513 -26.796 24.735 1.00 1.05 ATOM 935 CE1 TYR 60 -10.245 -26.380 21.137 1.00 40.44 ATOM 936 HE1 TYR 60 -9.887 -26.264 20.125 1.00 44.13 ATOM 937 CE2 TYR 60 -12.027 -26.819 22.664 1.00 44.42 ATOM 938 HE2 TYR 60 -13.067 -27.044 22.850 1.00 22.53 ATOM 939 CZ TYR 60 -11.569 -26.668 21.375 1.00 62.20 ATOM 940 OH TYR 60 -12.440 -26.815 20.316 1.00 22.33 ATOM 941 HH TYR 60 -11.967 -27.189 19.561 1.00 44.53 ATOM 942 C TYR 60 -8.440 -25.536 27.060 1.00 13.30 ATOM 943 O TYR 60 -8.544 -26.280 28.040 1.00 60.21 ATOM 944 N ALA 61 -7.458 -24.648 26.934 1.00 61.23 ATOM 945 HN ALA 61 -7.407 -24.108 26.114 1.00 37.41 ATOM 946 CA ALA 61 -6.441 -24.464 27.973 1.00 34.24 ATOM 947 HA ALA 61 -5.872 -25.381 28.043 1.00 4.12 ATOM 948 CB ALA 61 -5.483 -23.346 27.579 1.00 44.12 ATOM 949 HB1 ALA 61 -4.712 -23.249 28.330 1.00 22.21 ATOM 950 HB2 ALA 61 -6.027 -22.416 27.499 1.00 71.13 ATOM 951 HB3 ALA 61 -5.028 -23.579 26.626 1.00 30.34 ATOM 952 C ALA 61 -7.078 -24.168 29.341 1.00 72.01 ATOM 953 O ALA 61 -6.760 -24.817 30.340 1.00 23.55 ATOM 954 N LEU 62 -7.993 -23.198 29.374 1.00 3.54 ATOM 955 HN LEU 62 -8.221 -22.734 28.540 1.00 37.41 ATOM 956 CA LEU 62 -8.661 -22.799 30.622 1.00 52.50 ATOM 957 HA LEU 62 -7.890 -22.517 31.326 1.00 53.13 ATOM 958 CB LEU 62 -9.568 -21.583 30.379 1.00 45.02 ATOM 959 HB1 LEU 62 -10.094 -21.364 31.298 1.00 37.41 ATOM 960 HB2 LEU 62 -10.296 -21.850 29.624 1.00 4.43 ATOM 961 CG LEU 62 -8.844 -20.303 29.922 1.00 53.35 ATOM 962 HG LEU 62 -8.340 -20.503 28.987 1.00 30.12 ATOM 963 CD1 LEU 62 -9.846 -19.175 29.678 1.00 41.11 ATOM 964 HD11 LEU 62 -10.365 -18.944 30.597 1.00 11.23 ATOM 965 HD12 LEU 62 -10.562 -19.485 28.931 1.00 41.13 ATOM 966 HD13 LEU 62 -9.323 -18.297 29.328 1.00 23.25 ATOM 967 CD2 LEU 62 -7.786 -19.881 30.945 1.00 34.13 ATOM 968 HD21 LEU 62 -8.258 -19.688 31.898 1.00 13.23 ATOM 969 HD22 LEU 62 -7.289 -18.985 30.603 1.00 30.24 ATOM 970 HD23 LEU 62 -7.058 -20.672 31.059 1.00 43.10 ATOM 971 C LEU 62 -9.479 -23.950 31.239 1.00 13.23 ATOM 972 O LEU 62 -9.349 -24.242 32.430 1.00 62.22 ATOM 973 N ARG 63 -10.313 -24.610 30.429 1.00 2.53 ATOM 974 HN ARG 63 -10.365 -24.351 29.482 1.00 37.41 ATOM 975 CA ARG 63 -11.161 -25.708 30.926 1.00 33.24 ATOM 976 HA ARG 63 -11.723 -25.324 31.766 1.00 2.01 ATOM 977 CB ARG 63 -12.152 -26.171 29.844 1.00 61.21 ATOM 978 HB1 ARG 63 -12.703 -25.311 29.490 1.00 37.41 ATOM 979 HB2 ARG 63 -12.850 -26.871 30.287 1.00 1.33 ATOM 980 CG ARG 63 -11.498 -26.846 28.641 1.00 72.52 ATOM 981 HG1 ARG 63 -10.959 -27.720 28.984 1.00 37.41 ATOM 982 HG2 ARG 63 -10.805 -26.153 28.187 1.00 31.13 ATOM 983 CD ARG 63 -12.521 -27.276 27.592 1.00 23.42 ATOM 984 HD1 ARG 63 -13.203 -27.983 28.043 1.00 37.41 ATOM 985 HD2 ARG 63 -12.000 -27.756 26.776 1.00 1.10 ATOM 986 NE ARG 63 -13.289 -26.147 27.064 1.00 30.40 ATOM 987 HE ARG 63 -13.146 -25.272 27.477 1.00 72.11 ATOM 988 CZ ARG 63 -14.154 -26.237 26.088 1.00 35.01 ATOM 989 NH1 ARG 63 -14.387 -27.369 25.504 1.00 23.10 ATOM 990 HH11 ARG 63 -13.903 -28.192 25.798 1.00 74.40 ATOM 991 HH12 ARG 63 -15.053 -27.417 24.762 1.00 3.33 ATOM 992 NH2 ARG 63 -14.794 -25.184 25.701 1.00 43.44 ATOM 993 HH21 ARG 63 -14.628 -24.308 26.151 1.00 74.22 ATOM 994 HH22 ARG 63 -15.454 -25.249 24.956 1.00 62.43 ATOM 995 C ARG 63 -10.317 -26.899 31.420 1.00 62.42 ATOM 996 O ARG 63 -10.747 -27.662 32.286 1.00 3.31 ATOM 997 N GLU 64 -9.117 -27.057 30.862 1.00 13.54 ATOM 998 HN GLU 64 -8.848 -26.459 30.131 1.00 37.41 ATOM 999 CA GLU 64 -8.195 -28.118 31.295 1.00 31.15 ATOM 1000 HA GLU 64 -8.783 -28.891 31.773 1.00 2.23 ATOM 1001 CB GLU 64 -7.483 -28.726 30.080 1.00 41.15 ATOM 1002 HB1 GLU 64 -6.772 -29.464 30.426 1.00 37.41 ATOM 1003 HB2 GLU 64 -6.949 -27.941 29.561 1.00 21.21 ATOM 1004 CG GLU 64 -8.431 -29.398 29.091 1.00 52.33 ATOM 1005 HG1 GLU 64 -9.066 -28.640 28.652 1.00 37.41 ATOM 1006 HG2 GLU 64 -9.044 -30.110 29.626 1.00 52.13 ATOM 1007 CD GLU 64 -7.703 -30.132 27.979 1.00 61.53 ATOM 1008 OE1 GLU 64 -6.912 -31.049 28.292 1.00 32.30 ATOM 1009 OE2 GLU 64 -7.933 -29.819 26.794 1.00 1.42 ATOM 1010 C GLU 64 -7.166 -27.596 32.313 1.00 24.35 ATOM 1011 O GLU 64 -6.201 -28.288 32.650 1.00 21.23 ATOM 1012 N ARG 65 -7.380 -26.367 32.794 1.00 51.41 ATOM 1013 HN ARG 65 -8.128 -25.847 32.433 1.00 37.41 ATOM 1014 CA ARG 65 -6.537 -25.759 33.837 1.00 15.53 ATOM 1015 HA ARG 65 -6.896 -24.751 33.994 1.00 31.33 ATOM 1016 CB ARG 65 -6.682 -26.542 35.153 1.00 53.55 ATOM 1017 HB1 ARG 65 -6.178 -25.998 35.940 1.00 37.41 ATOM 1018 HB2 ARG 65 -6.209 -27.508 35.037 1.00 41.25 ATOM 1019 CG ARG 65 -8.133 -26.771 35.581 1.00 42.15 ATOM 1020 HG1 ARG 65 -8.139 -27.242 36.553 1.00 37.41 ATOM 1021 HG2 ARG 65 -8.608 -27.425 34.864 1.00 55.44 ATOM 1022 CD ARG 65 -8.925 -25.469 35.659 1.00 62.33 ATOM 1023 HD1 ARG 65 -9.951 -25.703 35.907 1.00 37.41 ATOM 1024 HD2 ARG 65 -8.895 -24.983 34.694 1.00 34.30 ATOM 1025 NE ARG 65 -8.391 -24.558 36.670 1.00 32.04 ATOM 1026 HE ARG 65 -7.947 -24.954 37.446 1.00 75.53 ATOM 1027 CZ ARG 65 -8.491 -23.257 36.614 1.00 73.31 ATOM 1028 NH1 ARG 65 -9.064 -22.681 35.605 1.00 15.14 ATOM 1029 HH11 ARG 65 -9.439 -23.233 34.862 1.00 50.50 ATOM 1030 HH12 ARG 65 -9.127 -21.685 35.568 1.00 21.15 ATOM 1031 NH2 ARG 65 -8.023 -22.533 37.576 1.00 72.21 ATOM 1032 HH21 ARG 65 -7.586 -22.969 38.360 1.00 14.40 ATOM 1033 HH22 ARG 65 -8.107 -21.543 37.538 1.00 23.11 ATOM 1034 C ARG 65 -5.058 -25.683 33.416 1.00 65.30 ATOM 1035 O ARG 65 -4.158 -25.650 34.260 1.00 30.51 ATOM 1036 N ARG 66 -4.817 -25.651 32.109 1.00 42.24 ATOM 1037 HN ARG 66 -5.576 -25.673 31.489 1.00 37.41 ATOM 1038 CA ARG 66 -3.457 -25.570 31.567 1.00 2.34 ATOM 1039 HA ARG 66 -2.842 -26.274 32.111 1.00 44.42 ATOM 1040 CB ARG 66 -3.450 -25.947 30.076 1.00 11.02 ATOM 1041 HB1 ARG 66 -2.459 -25.774 29.679 1.00 37.41 ATOM 1042 HB2 ARG 66 -4.150 -25.309 29.555 1.00 22.24 ATOM 1043 CG ARG 66 -3.832 -27.398 29.791 1.00 2.21 ATOM 1044 HG1 ARG 66 -4.826 -27.580 30.172 1.00 37.41 ATOM 1045 HG2 ARG 66 -3.129 -28.052 30.288 1.00 1.53 ATOM 1046 CD ARG 66 -3.813 -27.699 28.294 1.00 31.51 ATOM 1047 HD1 ARG 66 -2.862 -27.387 27.887 1.00 37.41 ATOM 1048 HD2 ARG 66 -4.606 -27.141 27.816 1.00 61.42 ATOM 1049 NE ARG 66 -4.000 -29.122 28.017 1.00 24.43 ATOM 1050 HE ARG 66 -4.015 -29.731 28.779 1.00 12.32 ATOM 1051 CZ ARG 66 -4.124 -29.625 26.817 1.00 15.11 ATOM 1052 NH1 ARG 66 -4.164 -28.862 25.772 1.00 20.53 ATOM 1053 HH11 ARG 66 -4.104 -27.868 25.868 1.00 54.13 ATOM 1054 HH12 ARG 66 -4.267 -29.262 24.870 1.00 60.01 ATOM 1055 NH2 ARG 66 -4.223 -30.903 26.663 1.00 35.24 ATOM 1056 HH21 ARG 66 -4.204 -31.502 27.457 1.00 74.41 ATOM 1057 HH22 ARG 66 -4.327 -31.285 25.749 1.00 72.14 ATOM 1058 C ARG 66 -2.866 -24.162 31.736 1.00 70.32 ATOM 1059 O ARG 66 -3.581 -23.161 31.666 1.00 54.53 ATOM 1060 N VAL 67 -1.557 -24.094 31.952 1.00 45.52 ATOM 1061 HN VAL 67 -1.047 -24.924 32.060 1.00 37.41 ATOM 1062 CA VAL 67 -0.860 -22.810 32.035 1.00 14.32 ATOM 1063 HA VAL 67 -1.517 -22.102 32.525 1.00 22.44 ATOM 1064 CB VAL 67 0.441 -22.928 32.871 1.00 51.23 ATOM 1065 HB VAL 67 1.113 -23.600 32.353 1.00 33.31 ATOM 1066 CG1 VAL 67 1.137 -21.572 32.998 1.00 52.45 ATOM 1067 HG11 VAL 67 2.036 -21.681 33.589 1.00 51.52 ATOM 1068 HG12 VAL 67 0.474 -20.867 33.481 1.00 42.23 ATOM 1069 HG13 VAL 67 1.398 -21.205 32.015 1.00 41.23 ATOM 1070 CG2 VAL 67 0.146 -23.520 34.249 1.00 63.53 ATOM 1071 HG21 VAL 67 -0.286 -24.505 34.134 1.00 73.31 ATOM 1072 HG22 VAL 67 -0.551 -22.885 34.776 1.00 73.03 ATOM 1073 HG23 VAL 67 1.063 -23.594 34.817 1.00 64.23 ATOM 1074 C VAL 67 -0.517 -22.287 30.633 1.00 33.12 ATOM 1075 O VAL 67 -0.711 -21.107 30.332 1.00 54.13 ATOM 1076 N HIS 68 -0.025 -23.180 29.773 1.00 34.54 ATOM 1077 HN HIS 68 0.054 -24.117 30.055 1.00 37.41 ATOM 1078 CA HIS 68 0.384 -22.808 28.414 1.00 32.44 ATOM 1079 HA HIS 68 0.149 -21.759 28.278 1.00 10.02 ATOM 1080 CB HIS 68 1.901 -22.992 28.241 1.00 0.42 ATOM 1081 HB1 HIS 68 2.412 -22.322 28.919 1.00 37.41 ATOM 1082 HB2 HIS 68 2.173 -22.737 27.227 1.00 62.12 ATOM 1083 CG HIS 68 2.396 -24.384 28.511 1.00 44.42 ATOM 1084 ND1 HIS 68 3.003 -24.748 29.691 1.00 31.01 ATOM 1085 HD1 HIS 68 3.163 -24.158 30.464 1.00 61.32 ATOM 1086 CD2 HIS 68 2.398 -25.495 27.736 1.00 55.40 ATOM 1087 HD2 HIS 68 1.999 -25.580 26.735 1.00 33.02 ATOM 1088 CE1 HIS 68 3.354 -26.016 29.633 1.00 75.32 ATOM 1089 HE1 HIS 68 3.842 -26.572 30.418 1.00 64.15 ATOM 1090 NE2 HIS 68 2.999 -26.493 28.459 1.00 41.43 ATOM 1091 HE2 HIS 68 3.304 -27.351 28.092 1.00 37.41 ATOM 1092 C HIS 68 -0.372 -23.613 27.346 1.00 4.45 ATOM 1093 O HIS 68 -0.587 -24.817 27.491 1.00 50.43 ATOM 1094 N VAL 69 -0.754 -22.936 26.267 1.00 50.33 ATOM 1095 HN VAL 69 -0.544 -21.983 26.210 1.00 37.41 ATOM 1096 CA VAL 69 -1.480 -23.565 25.160 1.00 75.15 ATOM 1097 HA VAL 69 -2.186 -24.270 25.580 1.00 11.41 ATOM 1098 CB VAL 69 -2.272 -22.502 24.354 1.00 41.23 ATOM 1099 HB VAL 69 -1.560 -21.880 23.826 1.00 33.12 ATOM 1100 CG1 VAL 69 -3.180 -23.158 23.316 1.00 65.32 ATOM 1101 HG11 VAL 69 -3.905 -23.787 23.813 1.00 73.14 ATOM 1102 HG12 VAL 69 -2.585 -23.760 22.643 1.00 5.53 ATOM 1103 HG13 VAL 69 -3.696 -22.394 22.750 1.00 44.04 ATOM 1104 CG2 VAL 69 -3.079 -21.603 25.292 1.00 3.24 ATOM 1105 HG21 VAL 69 -3.799 -22.199 25.837 1.00 75.12 ATOM 1106 HG22 VAL 69 -3.599 -20.852 24.715 1.00 4.21 ATOM 1107 HG23 VAL 69 -2.412 -21.119 25.992 1.00 2.40 ATOM 1108 C VAL 69 -0.520 -24.315 24.215 1.00 63.42 ATOM 1109 O VAL 69 0.648 -23.935 24.063 1.00 22.31 ATOM 1110 N THR 70 -1.016 -25.381 23.588 1.00 51.24 ATOM 1111 HN THR 70 -1.953 -25.636 23.752 1.00 37.41 ATOM 1112 CA THR 70 -0.215 -26.189 22.654 1.00 10.33 ATOM 1113 HA THR 70 0.773 -25.756 22.582 1.00 34.44 ATOM 1114 CB THR 70 -0.076 -27.653 23.141 1.00 62.11 ATOM 1115 HB THR 70 0.648 -28.156 22.514 1.00 33.32 ATOM 1116 OG1 THR 70 -1.336 -28.331 23.026 1.00 53.45 ATOM 1117 HG1 THR 70 -1.983 -27.912 23.611 1.00 2.33 ATOM 1118 CG2 THR 70 0.409 -27.716 24.588 1.00 75.42 ATOM 1119 HG21 THR 70 0.499 -28.749 24.892 1.00 10.45 ATOM 1120 HG22 THR 70 -0.301 -27.214 25.230 1.00 1.23 ATOM 1121 HG23 THR 70 1.372 -27.232 24.669 1.00 52.32 ATOM 1122 C THR 70 -0.853 -26.216 21.261 1.00 71.12 ATOM 1123 O THR 70 -1.930 -25.655 21.049 1.00 74.24 ATOM 1124 N GLN 71 -0.190 -26.878 20.309 1.00 12.11 ATOM 1125 HN GLN 71 0.695 -27.253 20.513 1.00 37.41 ATOM 1126 CA GLN 71 -0.756 -27.063 18.968 1.00 73.31 ATOM 1127 HA GLN 71 -1.003 -26.084 18.577 1.00 62.14 ATOM 1128 CB GLN 71 0.266 -27.732 18.032 1.00 73.42 ATOM 1129 HB1 GLN 71 0.686 -28.593 18.533 1.00 37.41 ATOM 1130 HB2 GLN 71 1.059 -27.028 17.822 1.00 75.44 ATOM 1131 CG GLN 71 -0.332 -28.191 16.705 1.00 64.24 ATOM 1132 HG1 GLN 71 -0.736 -27.329 16.192 1.00 37.41 ATOM 1133 HG2 GLN 71 -1.132 -28.889 16.907 1.00 24.54 ATOM 1134 CD GLN 71 0.675 -28.869 15.793 1.00 71.35 ATOM 1135 OE1 GLN 71 0.898 -30.072 15.866 1.00 21.00 ATOM 1136 NE2 GLN 71 1.260 -28.113 14.892 1.00 21.32 ATOM 1137 HE21 GLN 71 1.015 -27.165 14.854 1.00 3.34 ATOM 1138 HE22 GLN 71 1.912 -28.531 14.295 1.00 40.21 ATOM 1139 C GLN 71 -2.038 -27.911 19.029 1.00 63.03 ATOM 1140 O GLN 71 -2.967 -27.712 18.242 1.00 33.03 ATOM 1141 N GLU 72 -2.073 -28.843 19.985 1.00 52.43 ATOM 1142 HN GLU 72 -1.314 -28.908 20.603 1.00 37.41 ATOM 1143 CA GLU 72 -3.208 -29.758 20.165 1.00 63.53 ATOM 1144 HA GLU 72 -3.276 -30.385 19.286 1.00 34.31 ATOM 1145 CB GLU 72 -2.961 -30.644 21.397 1.00 23.42 ATOM 1146 HB1 GLU 72 -3.774 -31.351 21.488 1.00 37.41 ATOM 1147 HB2 GLU 72 -2.943 -30.017 22.278 1.00 64.23 ATOM 1148 CG GLU 72 -1.649 -31.428 21.341 1.00 54.11 ATOM 1149 HG1 GLU 72 -0.838 -30.734 21.158 1.00 37.41 ATOM 1150 HG2 GLU 72 -1.702 -32.135 20.525 1.00 3.14 ATOM 1151 CD GLU 72 -1.355 -32.191 22.628 1.00 12.13 ATOM 1152 OE1 GLU 72 -1.795 -33.356 22.754 1.00 24.02 ATOM 1153 OE2 GLU 72 -0.682 -31.632 23.517 1.00 13.22 ATOM 1154 C GLU 72 -4.528 -28.987 20.332 1.00 31.51 ATOM 1155 O GLU 72 -5.551 -29.341 19.739 1.00 60.10 ATOM 1156 N ASP 73 -4.489 -27.926 21.137 1.00 74.41 ATOM 1157 HN ASP 73 -3.649 -27.712 21.600 1.00 37.41 ATOM 1158 CA ASP 73 -5.660 -27.073 21.370 1.00 72.23 ATOM 1159 HA ASP 73 -6.458 -27.698 21.746 1.00 14.34 ATOM 1160 CB ASP 73 -5.325 -26.006 22.419 1.00 24.54 ATOM 1161 HB1 ASP 73 -6.219 -25.443 22.652 1.00 37.41 ATOM 1162 HB2 ASP 73 -4.579 -25.334 22.018 1.00 11.33 ATOM 1163 CG ASP 73 -4.789 -26.615 23.704 1.00 4.14 ATOM 1164 OD1 ASP 73 -3.557 -26.790 23.816 1.00 72.41 ATOM 1165 OD2 ASP 73 -5.595 -26.931 24.601 1.00 71.12 ATOM 1166 C ASP 73 -6.127 -26.396 20.069 1.00 61.34 ATOM 1167 O ASP 73 -7.308 -26.440 19.716 1.00 71.00 ATOM 1168 N PHE 74 -5.183 -25.782 19.354 1.00 3.43 ATOM 1169 HN PHE 74 -4.254 -25.820 19.667 1.00 37.41 ATOM 1170 CA PHE 74 -5.492 -25.053 18.117 1.00 53.42 ATOM 1171 HA PHE 74 -6.208 -24.285 18.375 1.00 20.22 ATOM 1172 CB PHE 74 -4.233 -24.371 17.558 1.00 3.24 ATOM 1173 HB1 PHE 74 -4.410 -24.092 16.528 1.00 37.41 ATOM 1174 HB2 PHE 74 -3.408 -25.068 17.597 1.00 74.41 ATOM 1175 CG PHE 74 -3.823 -23.128 18.308 1.00 72.52 ATOM 1176 CD1 PHE 74 -2.937 -23.199 19.371 1.00 30.10 ATOM 1177 HD1 PHE 74 -2.537 -24.158 19.664 1.00 54.14 ATOM 1178 CD2 PHE 74 -4.326 -21.884 17.945 1.00 51.11 ATOM 1179 HD2 PHE 74 -5.016 -21.813 17.118 1.00 20.21 ATOM 1180 CE1 PHE 74 -2.564 -22.059 20.059 1.00 62.15 ATOM 1181 HE1 PHE 74 -1.873 -22.129 20.886 1.00 50.41 ATOM 1182 CE2 PHE 74 -3.956 -20.742 18.629 1.00 3.24 ATOM 1183 HE2 PHE 74 -4.354 -19.782 18.334 1.00 61.23 ATOM 1184 CZ PHE 74 -3.072 -20.829 19.686 1.00 33.15 ATOM 1185 HZ PHE 74 -2.780 -19.937 20.223 1.00 13.10 ATOM 1186 C PHE 74 -6.121 -25.952 17.037 1.00 52.22 ATOM 1187 O PHE 74 -7.132 -25.585 16.442 1.00 31.12 ATOM 1188 N GLU 75 -5.532 -27.121 16.780 1.00 12.31 ATOM 1189 HN GLU 75 -4.734 -27.384 17.290 1.00 37.41 ATOM 1190 CA GLU 75 -6.063 -28.020 15.740 1.00 20.10 ATOM 1191 HA GLU 75 -6.182 -27.423 14.845 1.00 63.04 ATOM 1192 CB GLU 75 -5.078 -29.161 15.427 1.00 55.23 ATOM 1193 HB1 GLU 75 -4.175 -28.727 15.019 1.00 37.41 ATOM 1194 HB2 GLU 75 -5.520 -29.800 14.677 1.00 62.12 ATOM 1195 CG GLU 75 -4.688 -30.032 16.617 1.00 72.23 ATOM 1196 HG1 GLU 75 -5.577 -30.505 17.010 1.00 37.41 ATOM 1197 HG2 GLU 75 -4.247 -29.406 17.381 1.00 45.50 ATOM 1198 CD GLU 75 -3.686 -31.113 16.230 1.00 1.14 ATOM 1199 OE1 GLU 75 -4.115 -32.245 15.921 1.00 0.45 ATOM 1200 OE2 GLU 75 -2.467 -30.827 16.207 1.00 43.51 ATOM 1201 C GLU 75 -7.449 -28.568 16.119 1.00 54.43 ATOM 1202 O GLU 75 -8.304 -28.771 15.255 1.00 72.32 ATOM 1203 N MET 76 -7.674 -28.791 17.414 1.00 15.04 ATOM 1204 HN MET 76 -6.927 -28.715 18.049 1.00 37.41 ATOM 1205 CA MET 76 -9.007 -29.157 17.910 1.00 54.14 ATOM 1206 HA MET 76 -9.346 -30.011 17.340 1.00 43.01 ATOM 1207 CB MET 76 -8.948 -29.541 19.392 1.00 64.42 ATOM 1208 HB1 MET 76 -9.950 -29.541 19.794 1.00 37.41 ATOM 1209 HB2 MET 76 -8.359 -28.802 19.920 1.00 45.34 ATOM 1210 CG MET 76 -8.333 -30.909 19.644 1.00 72.23 ATOM 1211 HG1 MET 76 -8.325 -31.098 20.708 1.00 37.41 ATOM 1212 HG2 MET 76 -7.317 -30.909 19.274 1.00 70.10 ATOM 1213 SD MET 76 -9.244 -32.240 18.825 1.00 71.35 ATOM 1214 CE MET 76 -10.893 -31.998 19.487 1.00 42.45 ATOM 1215 HE1 MET 76 -11.265 -31.029 19.184 1.00 74.01 ATOM 1216 HE2 MET 76 -10.860 -32.051 20.565 1.00 70.24 ATOM 1217 HE3 MET 76 -11.549 -32.768 19.108 1.00 42.05 ATOM 1218 C MET 76 -10.006 -28.009 17.706 1.00 35.44 ATOM 1219 O MET 76 -11.195 -28.232 17.468 1.00 52.54 ATOM 1220 N ALA 77 -9.518 -26.778 17.822 1.00 4.13 ATOM 1221 HN ALA 77 -8.589 -26.659 18.121 1.00 37.41 ATOM 1222 CA ALA 77 -10.326 -25.594 17.530 1.00 51.13 ATOM 1223 HA ALA 77 -11.240 -25.662 18.106 1.00 61.21 ATOM 1224 CB ALA 77 -9.582 -24.339 17.967 1.00 35.44 ATOM 1225 HB1 ALA 77 -8.673 -24.239 17.391 1.00 24.23 ATOM 1226 HB2 ALA 77 -9.334 -24.415 19.017 1.00 50.53 ATOM 1227 HB3 ALA 77 -10.206 -23.472 17.808 1.00 12.43 ATOM 1228 C ALA 77 -10.684 -25.525 16.037 1.00 4.30 ATOM 1229 O ALA 77 -11.830 -25.259 15.675 1.00 15.02 ATOM 1230 N VAL 78 -9.699 -25.788 15.176 1.00 11.21 ATOM 1231 HN VAL 78 -8.799 -25.963 15.527 1.00 37.41 ATOM 1232 CA VAL 78 -9.914 -25.818 13.722 1.00 34.01 ATOM 1233 HA VAL 78 -10.247 -24.834 13.415 1.00 3.24 ATOM 1234 CB VAL 78 -8.600 -26.146 12.962 1.00 50.33 ATOM 1235 HB VAL 78 -8.259 -27.122 13.284 1.00 32.42 ATOM 1236 CG1 VAL 78 -8.833 -26.202 11.452 1.00 62.21 ATOM 1237 HG11 VAL 78 -9.531 -26.995 11.222 1.00 60.35 ATOM 1238 HG12 VAL 78 -7.896 -26.390 10.948 1.00 2.23 ATOM 1239 HG13 VAL 78 -9.237 -25.258 11.114 1.00 61.11 ATOM 1240 CG2 VAL 78 -7.513 -25.128 13.302 1.00 3.24 ATOM 1241 HG21 VAL 78 -7.834 -24.141 13.000 1.00 14.35 ATOM 1242 HG22 VAL 78 -6.601 -25.385 12.782 1.00 15.15 ATOM 1243 HG23 VAL 78 -7.333 -25.134 14.367 1.00 22.44 ATOM 1244 C VAL 78 -10.992 -26.849 13.340 1.00 3.52 ATOM 1245 O VAL 78 -11.876 -26.571 12.524 1.00 62.05 ATOM 1246 N ALA 79 -10.913 -28.035 13.942 1.00 32.30 ATOM 1247 HN ALA 79 -10.166 -28.207 14.558 1.00 37.41 ATOM 1248 CA ALA 79 -11.900 -29.096 13.708 1.00 14.32 ATOM 1249 HA ALA 79 -11.860 -29.359 12.659 1.00 33.45 ATOM 1250 CB ALA 79 -11.539 -30.335 14.520 1.00 41.22 ATOM 1251 HB1 ALA 79 -11.572 -30.098 15.574 1.00 25.02 ATOM 1252 HB2 ALA 79 -10.544 -30.664 14.257 1.00 43.41 ATOM 1253 HB3 ALA 79 -12.246 -31.125 14.306 1.00 61.42 ATOM 1254 C ALA 79 -13.327 -28.633 14.049 1.00 51.04 ATOM 1255 O ALA 79 -14.289 -28.988 13.361 1.00 42.14 ATOM 1256 N LYS 80 -13.456 -27.838 15.112 1.00 32.10 ATOM 1257 HN LYS 80 -12.657 -27.607 15.633 1.00 37.41 ATOM 1258 CA LYS 80 -14.759 -27.306 15.531 1.00 45.22 ATOM 1259 HA LYS 80 -15.479 -28.111 15.468 1.00 31.31 ATOM 1260 CB LYS 80 -14.693 -26.816 16.988 1.00 61.30 ATOM 1261 HB1 LYS 80 -13.952 -26.031 17.058 1.00 37.41 ATOM 1262 HB2 LYS 80 -14.390 -27.642 17.619 1.00 70.22 ATOM 1263 CG LYS 80 -16.022 -26.271 17.511 1.00 24.14 ATOM 1264 HG1 LYS 80 -16.745 -27.076 17.531 1.00 37.41 ATOM 1265 HG2 LYS 80 -16.369 -25.497 16.841 1.00 52.33 ATOM 1266 CD LYS 80 -15.897 -25.680 18.915 1.00 72.23 ATOM 1267 HD1 LYS 80 -16.841 -25.226 19.185 1.00 37.41 ATOM 1268 HD2 LYS 80 -15.126 -24.923 18.910 1.00 51.23 ATOM 1269 CE LYS 80 -15.542 -26.734 19.960 1.00 54.40 ATOM 1270 HE1 LYS 80 -14.622 -27.220 19.671 1.00 37.41 ATOM 1271 HE2 LYS 80 -16.336 -27.466 20.002 1.00 30.22 ATOM 1272 NZ LYS 80 -15.369 -26.136 21.311 1.00 41.45 ATOM 1273 HZ1 LYS 80 -15.143 -26.874 22.007 1.00 20.35 ATOM 1274 HZ2 LYS 80 -16.242 -25.655 21.606 1.00 41.21 ATOM 1275 HZ3 LYS 80 -14.596 -25.439 21.298 1.00 41.13 ATOM 1276 C LYS 80 -15.223 -26.158 14.617 1.00 71.03 ATOM 1277 O LYS 80 -16.285 -26.236 14.000 1.00 63.04 ATOM 1278 N VAL 81 -14.412 -25.102 14.528 1.00 72.15 ATOM 1279 HN VAL 81 -13.550 -25.129 14.992 1.00 37.41 ATOM 1280 CA VAL 81 -14.764 -23.900 13.755 1.00 4.34 ATOM 1281 HA VAL 81 -15.659 -23.480 14.194 1.00 65.31 ATOM 1282 CB VAL 81 -13.641 -22.830 13.837 1.00 12.04 ATOM 1283 HB VAL 81 -12.742 -23.251 13.408 1.00 11.43 ATOM 1284 CG1 VAL 81 -14.008 -21.580 13.030 1.00 43.33 ATOM 1285 HG11 VAL 81 -14.914 -21.145 13.427 1.00 62.42 ATOM 1286 HG12 VAL 81 -14.164 -21.851 11.995 1.00 2.41 ATOM 1287 HG13 VAL 81 -13.205 -20.859 13.093 1.00 15.42 ATOM 1288 CG2 VAL 81 -13.346 -22.467 15.292 1.00 70.32 ATOM 1289 HG21 VAL 81 -14.232 -22.047 15.748 1.00 30.23 ATOM 1290 HG22 VAL 81 -12.546 -21.742 15.329 1.00 62.44 ATOM 1291 HG23 VAL 81 -13.050 -23.355 15.833 1.00 11.12 ATOM 1292 C VAL 81 -15.045 -24.215 12.276 1.00 40.22 ATOM 1293 O VAL 81 -16.050 -23.770 11.717 1.00 43.10 ATOM 1294 N MET 82 -14.160 -24.990 11.652 1.00 11.51 ATOM 1295 HN MET 82 -13.407 -25.358 12.163 1.00 37.41 ATOM 1296 CA MET 82 -14.277 -25.306 10.223 1.00 13.11 ATOM 1297 HA MET 82 -14.713 -24.446 9.732 1.00 33.35 ATOM 1298 CB MET 82 -12.882 -25.554 9.628 1.00 44.42 ATOM 1299 HB1 MET 82 -12.988 -25.834 8.589 1.00 37.41 ATOM 1300 HB2 MET 82 -12.415 -26.368 10.164 1.00 31.34 ATOM 1301 CG MET 82 -11.955 -24.345 9.702 1.00 72.02 ATOM 1302 HG1 MET 82 -10.977 -24.635 9.343 1.00 37.41 ATOM 1303 HG2 MET 82 -11.877 -24.029 10.733 1.00 12.41 ATOM 1304 SD MET 82 -12.544 -22.953 8.715 1.00 1.23 ATOM 1305 CE MET 82 -12.390 -23.608 7.050 1.00 50.13 ATOM 1306 HE1 MET 82 -12.958 -24.524 6.965 1.00 14.15 ATOM 1307 HE2 MET 82 -11.350 -23.807 6.837 1.00 60.42 ATOM 1308 HE3 MET 82 -12.768 -22.884 6.344 1.00 32.50 ATOM 1309 C MET 82 -15.187 -26.522 9.967 1.00 31.54 ATOM 1310 O MET 82 -15.514 -26.820 8.817 1.00 10.13 ATOM 1311 N GLN 83 -15.587 -27.222 11.039 1.00 31.52 ATOM 1312 HN GLN 83 -15.295 -26.933 11.930 1.00 37.41 ATOM 1313 CA GLN 83 -16.460 -28.405 10.925 1.00 53.11 ATOM 1314 HA GLN 83 -16.491 -28.880 11.895 1.00 60.43 ATOM 1315 CB GLN 83 -17.885 -27.975 10.536 1.00 21.25 ATOM 1316 HB1 GLN 83 -18.492 -28.859 10.398 1.00 37.41 ATOM 1317 HB2 GLN 83 -17.843 -27.429 9.603 1.00 35.11 ATOM 1318 CG GLN 83 -18.561 -27.092 11.577 1.00 74.35 ATOM 1319 HG1 GLN 83 -17.919 -26.247 11.785 1.00 37.41 ATOM 1320 HG2 GLN 83 -18.700 -27.667 12.483 1.00 23.32 ATOM 1321 CD GLN 83 -19.913 -26.573 11.119 1.00 33.32 ATOM 1322 OE1 GLN 83 -20.014 -25.505 10.520 1.00 32.12 ATOM 1323 NE2 GLN 83 -20.959 -27.329 11.380 1.00 13.04 ATOM 1324 HE21 GLN 83 -20.815 -28.174 11.851 1.00 64.03 ATOM 1325 HE22 GLN 83 -21.839 -27.018 11.084 1.00 32.34 ATOM 1326 C GLN 83 -15.905 -29.414 9.903 1.00 22.14 ATOM 1327 O GLN 83 -16.629 -29.908 9.033 1.00 13.00 ATOM 1328 N LYS 84 -14.620 -29.733 10.035 1.00 54.41 ATOM 1329 HN LYS 84 -14.141 -29.439 10.838 1.00 37.41 ATOM 1330 CA LYS 84 -13.906 -30.527 9.027 1.00 5.52 ATOM 1331 HA LYS 84 -14.602 -30.775 8.239 1.00 25.23 ATOM 1332 CB LYS 84 -12.769 -29.692 8.430 1.00 61.54 ATOM 1333 HB1 LYS 84 -13.196 -28.872 7.868 1.00 37.41 ATOM 1334 HB2 LYS 84 -12.193 -30.314 7.759 1.00 63.03 ATOM 1335 CG LYS 84 -11.826 -29.109 9.483 1.00 54.23 ATOM 1336 HG1 LYS 84 -11.586 -29.879 10.206 1.00 37.41 ATOM 1337 HG2 LYS 84 -12.325 -28.292 9.985 1.00 62.11 ATOM 1338 CD LYS 84 -10.533 -28.591 8.865 1.00 12.53 ATOM 1339 HD1 LYS 84 -9.964 -28.072 9.624 1.00 37.41 ATOM 1340 HD2 LYS 84 -10.775 -27.906 8.065 1.00 33.11 ATOM 1341 CE LYS 84 -9.689 -29.730 8.307 1.00 63.25 ATOM 1342 HE1 LYS 84 -10.269 -30.259 7.564 1.00 37.41 ATOM 1343 HE2 LYS 84 -9.436 -30.405 9.112 1.00 44.14 ATOM 1344 NZ LYS 84 -8.437 -29.241 7.679 1.00 21.53 ATOM 1345 HZ1 LYS 84 -7.965 -28.559 8.306 1.00 65.13 ATOM 1346 HZ2 LYS 84 -8.648 -28.777 6.773 1.00 54.54 ATOM 1347 HZ3 LYS 84 -7.791 -30.039 7.503 1.00 33.31 ATOM 1348 C LYS 84 -13.324 -31.830 9.596 1.00 4.04 ATOM 1349 O LYS 84 -13.276 -32.026 10.811 1.00 0.00 ATOM 1350 N ASP 85 -12.878 -32.703 8.688 1.00 25.21 ATOM 1351 HN ASP 85 -13.028 -32.505 7.738 1.00 37.41 ATOM 1352 CA ASP 85 -12.178 -33.950 9.037 1.00 12.25 ATOM 1353 HA ASP 85 -11.853 -34.396 8.108 1.00 41.02 ATOM 1354 CB ASP 85 -10.935 -33.649 9.887 1.00 20.22 ATOM 1355 HB1 ASP 85 -11.248 -33.329 10.872 1.00 37.41 ATOM 1356 HB2 ASP 85 -10.370 -32.853 9.421 1.00 63.31 ATOM 1357 CG ASP 85 -10.028 -34.856 10.033 1.00 14.23 ATOM 1358 OD1 ASP 85 -9.398 -35.249 9.030 1.00 22.52 ATOM 1359 OD2 ASP 85 -9.928 -35.410 11.149 1.00 13.12 ATOM 1360 C ASP 85 -13.097 -34.962 9.752 1.00 11.02 ATOM 1361 O ASP 85 -13.470 -35.986 9.175 1.00 72.20 ATOM 1362 N SER 86 -13.451 -34.680 11.002 1.00 74.41 ATOM 1363 HN SER 86 -13.113 -33.858 11.418 1.00 37.41 ATOM 1364 HA SER 86 -13.990 -36.578 11.636 1.00 44.52 ATOM 1365 CB SER 86 -14.255 -35.228 13.278 1.00 24.15 ATOM 1366 HB1 SER 86 -13.244 -35.395 13.625 1.00 37.41 ATOM 1367 HB2 SER 86 -14.929 -35.867 13.828 1.00 72.15 ATOM 1368 OG SER 86 -14.605 -33.874 13.535 1.00 21.04 ATOM 1369 HG SER 86 -15.190 -33.559 12.833 1.00 21.13 ATOM 1370 CA SER 86 -14.338 -35.563 11.780 1.00 3.32 ATOM 1371 C SER 86 -15.797 -35.472 11.294 1.00 42.15 ATOM 1372 OT1 SER 86 -16.436 -34.415 11.503 1.00 37.41 ATOM 1373 OT2 SER 86 -16.300 -36.459 10.711 1.00 37.41 ATOM 1374 OH2 TIP3 1 -9.486 -38.864 6.326 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -9.965 -39.212 5.534 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -9.976 -38.038 6.555 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.253 -32.009 7.346 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -16.468 -31.262 7.932 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.671 -32.781 7.783 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -13.924 -32.151 5.910 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -14.799 -32.085 6.355 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -14.149 -32.196 4.950 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -7.905 -34.100 7.010 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -7.977 -34.819 6.347 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -8.379 -34.460 7.801 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -13.486 -38.846 5.345 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -14.413 -38.997 5.588 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -13.251 -38.022 5.816 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -23.686 -32.175 6.986 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -23.495 -32.916 7.615 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -23.499 -32.549 6.120 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -18.892 -31.414 9.693 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -18.214 -30.765 9.440 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -19.690 -30.863 9.885 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -16.785 -40.611 5.960 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -16.537 -39.729 6.320 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -17.640 -40.466 5.549 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -19.492 -37.515 9.639 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -18.868 -38.132 10.078 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -18.939 -37.061 8.968 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -14.535 -32.005 3.243 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -15.207 -32.028 2.549 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -13.872 -31.366 2.916 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -25.167 -31.206 9.082 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -25.524 -32.001 9.524 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -24.786 -31.549 8.247 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -22.301 -37.561 10.099 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -21.988 -37.105 10.892 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -21.485 -37.766 9.608 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -17.540 -33.695 9.100 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -18.096 -32.931 9.368 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -17.118 -33.993 9.946 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -23.217 -34.165 8.768 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -23.627 -34.827 9.355 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -22.399 -33.901 9.240 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -16.765 -32.051 0.797 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -15.899 -32.130 0.331 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -17.316 -32.721 0.383 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -25.640 -32.085 12.543 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -24.928 -32.572 13.016 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -25.856 -32.659 11.778 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -24.511 -35.985 10.549 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -24.498 -36.194 11.509 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -23.932 -36.673 10.153 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -15.987 -38.199 6.870 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -16.591 -37.488 7.176 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -15.421 -38.383 7.658 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -17.388 -36.311 8.277 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -17.528 -35.343 8.251 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -16.898 -36.456 9.129 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -14.626 -41.910 7.080 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -15.481 -41.567 6.745 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -14.057 -41.919 6.308 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -12.702 -29.950 2.717 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -13.176 -29.356 3.333 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -11.769 -29.662 2.780 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -14.345 -32.401 -0.397 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -13.857 -33.150 -0.748 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -13.653 -31.719 -0.236 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -15.700 -28.310 6.575 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -15.647 -27.683 7.324 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -16.143 -29.084 6.947 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -13.298 -36.395 6.618 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -14.092 -36.030 6.206 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -13.492 -36.363 7.582 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -10.533 -36.452 6.861 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -11.506 -36.323 6.845 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -10.241 -36.010 7.697 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -11.085 -39.516 4.266 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -11.968 -39.284 4.640 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -11.285 -39.899 3.410 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -19.154 -31.712 13.815 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -19.019 -32.644 13.538 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -18.269 -31.410 14.066 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -23.134 -29.375 8.262 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -23.026 -30.007 7.533 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -23.998 -29.606 8.648 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -17.890 -29.737 1.784 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -17.942 -29.263 0.948 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -17.502 -30.607 1.542 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -20.947 -36.993 16.187 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -20.774 -37.938 16.246 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -20.074 -36.600 15.983 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -20.646 -31.566 17.683 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -20.902 -31.108 16.859 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -20.754 -32.523 17.467 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -16.960 -29.851 17.471 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -16.914 -30.004 16.509 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -16.027 -29.930 17.770 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -14.853 -37.925 16.400 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -14.367 -38.469 15.741 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -14.173 -37.301 16.745 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -20.928 -34.162 16.889 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -21.463 -34.961 16.997 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -20.134 -34.471 16.409 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -14.330 -30.190 18.191 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -13.762 -29.980 18.965 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -13.966 -31.013 17.844 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -16.175 -30.503 14.745 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -15.623 -29.900 14.212 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -15.638 -31.300 14.831 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -12.494 -32.813 22.919 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -11.872 -33.485 23.296 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -12.618 -33.098 22.008 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -18.646 -34.232 12.954 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -17.786 -34.253 12.454 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -19.271 -34.694 12.363 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -14.481 -38.457 9.076 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -13.664 -38.989 9.150 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -14.234 -37.586 9.447 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -19.385 -31.799 22.117 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -20.340 -31.959 21.955 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -19.029 -31.581 21.234 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -23.480 -32.966 13.935 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -22.906 -33.759 14.001 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -23.588 -32.667 14.866 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -8.627 -31.932 24.130 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -8.389 -32.376 23.289 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -8.286 -31.024 24.028 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -16.393 -40.298 14.065 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -16.603 -40.307 15.023 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -17.259 -40.141 13.635 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -18.906 -35.337 15.422 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -18.004 -35.395 15.809 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -18.760 -34.925 14.538 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -20.506 -35.650 11.445 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -20.698 -34.872 10.869 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -20.038 -36.277 10.851 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -16.702 -39.933 16.791 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -16.102 -39.163 16.709 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -16.710 -40.129 17.730 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -17.421 -38.894 10.859 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -16.976 -38.006 10.905 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -16.755 -39.466 10.450 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -21.836 -35.188 13.811 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -21.232 -35.451 14.523 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -21.322 -35.347 12.987 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -16.503 -30.265 25.939 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -16.575 -30.893 25.194 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -15.542 -30.107 26.028 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -13.767 -39.620 14.426 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -13.350 -40.490 14.328 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -14.706 -39.775 14.164 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -11.989 -34.277 27.119 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -12.350 -34.958 26.514 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -11.371 -34.778 27.702 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -23.902 -31.625 16.274 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -24.281 -31.368 17.142 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -23.152 -31.004 16.150 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -16.760 -31.848 23.550 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -16.604 -31.218 22.815 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -17.679 -32.141 23.414 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -12.925 -29.464 20.482 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -12.930 -28.493 20.556 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -12.686 -29.770 21.382 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -26.073 -33.664 10.321 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -26.937 -34.024 10.097 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -25.486 -34.453 10.352 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -23.971 -36.718 13.157 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -23.241 -36.128 13.449 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -24.127 -37.291 13.912 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -21.499 -31.794 12.349 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -20.725 -31.707 12.949 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -22.235 -32.050 12.940 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -25.437 -30.140 14.506 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -25.771 -30.732 13.800 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -25.074 -30.751 15.176 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -16.413 -35.632 16.562 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -16.286 -35.639 17.518 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -15.936 -36.433 16.253 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -20.975 -33.302 10.158 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -20.240 -32.776 9.790 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -21.285 -32.769 10.929 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -18.939 -39.813 12.952 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -18.435 -39.468 12.182 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -19.837 -39.904 12.625 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -14.230 -32.684 26.980 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -13.406 -33.163 27.220 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -14.508 -33.098 26.137 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -13.292 -35.886 17.281 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -13.490 -34.987 16.949 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -12.326 -35.878 17.436 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -13.284 -35.801 25.262 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -13.911 -36.519 25.402 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -13.830 -35.071 24.896 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -14.699 -33.564 24.387 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -15.494 -33.076 24.078 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -13.964 -33.181 23.860 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -13.921 -41.790 9.768 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -14.258 -41.962 8.862 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -13.255 -41.087 9.643 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -14.479 -33.596 16.155 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -14.349 -33.595 15.180 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.280 -34.138 16.284 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -11.760 -41.946 13.663 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -11.383 -42.819 13.803 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -12.612 -42.125 13.192 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -11.164 -39.307 13.535 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -12.089 -39.026 13.694 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -11.218 -40.291 13.514 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -18.176 -28.081 26.216 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -17.561 -28.846 26.177 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -19.008 -28.430 25.876 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -22.045 -31.516 21.417 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -22.012 -30.782 20.766 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -22.810 -32.034 21.147 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -14.802 -28.542 22.807 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -15.413 -29.183 22.385 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -14.025 -29.081 23.058 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -12.340 -30.054 23.167 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -12.325 -31.036 23.216 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -11.689 -29.772 23.843 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -11.693 -30.557 28.095 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -11.339 -31.093 27.352 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -10.936 -30.430 28.676 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -15.621 -31.026 28.855 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -16.330 -30.862 28.213 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -15.024 -31.651 28.393 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -15.744 -30.856 31.693 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -14.762 -30.806 31.760 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -15.907 -31.029 30.742 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -13.778 -30.043 26.365 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -13.947 -31.008 26.387 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -13.058 -29.921 27.020 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -9.192 -30.916 40.094 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -9.476 -31.063 41.015 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -8.953 -29.971 40.066 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -16.069 -31.669 34.315 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -16.066 -31.474 33.353 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.386 -32.338 34.422 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -13.061 -30.432 31.739 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -13.104 -29.458 31.810 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -12.142 -30.613 31.467 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -13.133 -13.349 -4.674 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -13.802 -13.315 -5.370 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -13.620 -13.078 -3.858 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -19.845 -19.646 -1.429 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -20.796 -19.602 -1.558 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -19.725 -19.476 -0.464 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -11.217 -16.826 2.112 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -10.874 -17.618 2.572 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -12.194 -16.937 2.150 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -15.395 -21.401 2.259 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -15.460 -22.099 2.952 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -14.775 -21.783 1.596 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -19.557 -19.192 1.226 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -19.076 -19.821 1.798 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -19.674 -18.412 1.783 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -14.915 -25.962 1.697 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -14.795 -26.160 2.641 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -15.890 -25.989 1.570 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -13.869 -15.618 4.771 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -13.940 -15.315 3.842 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -13.544 -16.541 4.695 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -14.427 -25.553 4.506 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -14.800 -25.367 5.390 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -14.606 -24.740 4.001 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -15.880 -16.296 1.047 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -16.605 -16.159 1.709 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -16.347 -16.653 0.251 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -16.925 -17.050 -1.304 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -16.398 -16.631 -2.004 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -17.256 -17.871 -1.714 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -17.410 -19.506 -2.561 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -18.315 -19.672 -2.197 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -16.832 -20.095 -2.042 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -14.858 -19.530 4.283 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -15.465 -19.844 4.980 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -14.950 -20.195 3.570 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -17.660 -15.860 3.005 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -18.037 -16.684 3.391 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -17.995 -15.160 3.571 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -17.308 -18.110 -4.890 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -17.396 -18.607 -4.041 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -18.116 -18.320 -5.369 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -11.211 -11.507 -4.016 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -11.874 -12.172 -4.312 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -11.103 -11.688 -3.057 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -15.711 -12.144 6.842 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -16.137 -11.709 6.071 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -15.977 -13.085 6.764 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -14.391 -8.643 -1.965 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -14.943 -9.450 -1.948 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -13.516 -8.951 -1.697 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -18.987 -25.475 4.857 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -19.445 -25.551 5.716 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -18.712 -26.391 4.649 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -15.705 -24.365 6.762 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -16.368 -24.915 7.205 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -15.572 -23.610 7.377 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -14.275 -23.492 -5.373 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -14.140 -24.038 -6.154 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -14.760 -24.061 -4.765 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -18.541 -22.795 7.364 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -19.232 -23.488 7.291 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -18.036 -23.051 8.165 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -18.004 -20.577 3.070 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -17.119 -20.802 2.714 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -18.264 -21.372 3.587 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -13.582 -28.125 4.720 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -13.731 -27.176 4.510 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -14.315 -28.348 5.334 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -13.261 -10.744 10.340 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -12.520 -10.923 10.971 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -14.053 -11.039 10.817 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -12.547 -18.074 4.957 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -13.355 -18.626 4.863 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -11.913 -18.478 4.338 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -17.441 -14.376 8.850 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -17.231 -15.064 9.524 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -16.841 -14.583 8.104 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -15.920 -14.957 6.538 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -16.302 -15.860 6.572 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -15.174 -15.043 5.906 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -12.953 -21.114 -4.863 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -13.420 -21.968 -4.998 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -13.655 -20.437 -4.967 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -14.215 -14.800 -0.596 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -14.317 -15.261 -1.456 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -14.885 -15.227 -0.020 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -13.890 -17.650 2.406 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -14.623 -17.261 1.887 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -14.336 -18.245 3.043 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -18.811 -18.122 4.021 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -19.161 -18.263 4.908 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -18.477 -19.005 3.750 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -15.952 -15.695 -5.223 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -15.590 -15.682 -4.317 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -16.589 -16.437 -5.213 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -13.076 -12.553 6.367 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -12.900 -13.477 6.658 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -14.027 -12.409 6.580 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -10.893 -9.256 -5.625 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -11.754 -8.828 -5.835 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -11.143 -10.056 -5.113 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -14.702 -16.260 -2.841 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -13.833 -16.033 -3.255 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -14.634 -17.227 -2.664 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -15.846 -23.136 4.281 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -15.658 -23.509 5.167 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -16.818 -23.014 4.281 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -18.524 -22.803 4.629 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -18.563 -22.640 5.596 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -18.816 -23.742 4.536 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -13.733 -22.655 0.435 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -13.836 -23.622 0.395 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -12.759 -22.524 0.458 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -12.708 -12.683 3.605 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -12.898 -12.882 4.538 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -13.101 -13.435 3.113 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -17.081 -16.553 10.404 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -17.825 -17.081 10.079 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -16.293 -16.918 9.917 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -16.446 -17.668 6.828 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -15.882 -17.654 7.645 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -16.422 -18.603 6.540 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -17.685 -19.507 10.016 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -16.728 -19.624 9.783 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -17.669 -19.297 10.964 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -14.659 -18.978 -5.144 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -14.273 -18.313 -5.762 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -15.618 -18.783 -5.158 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -22.208 -26.728 7.921 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -22.532 -27.644 8.024 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -22.656 -26.232 8.637 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -20.075 -25.137 7.524 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -19.771 -25.352 8.419 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -20.929 -25.628 7.442 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -17.713 -24.135 9.621 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -18.464 -24.523 10.104 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -17.066 -23.915 10.322 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -21.139 -30.003 10.141 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -21.825 -29.694 9.516 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -21.646 -30.433 10.859 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -23.312 -28.759 13.542 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -24.135 -29.097 13.965 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -23.292 -29.215 12.671 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -10.626 -11.602 5.549 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -11.546 -11.923 5.611 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -10.369 -11.781 4.617 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -14.091 -16.891 -6.808 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -14.759 -16.347 -6.334 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -13.715 -16.293 -7.456 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -15.384 -20.756 -0.839 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -14.757 -21.486 -0.652 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -15.746 -20.531 0.031 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -14.137 -18.857 -2.451 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -14.591 -19.581 -1.964 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -14.271 -19.084 -3.400 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -12.572 -25.344 0.447 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -12.075 -26.141 0.221 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -13.405 -25.684 0.849 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -14.289 -12.621 -2.354 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -14.182 -13.290 -1.653 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -14.888 -11.957 -1.957 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -19.098 -12.081 5.801 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -20.019 -12.340 5.701 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -18.973 -12.011 6.777 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -16.916 -10.893 4.706 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -17.171 -10.360 3.912 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -17.760 -11.325 4.986 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -14.406 -10.580 3.390 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -13.820 -11.365 3.421 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -15.218 -10.867 3.847 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -11.108 -28.961 5.433 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -11.998 -28.612 5.202 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -10.587 -28.851 4.610 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -17.650 -26.068 1.911 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.754 -26.785 2.570 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -18.270 -25.390 2.203 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -23.908 -30.256 11.351 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -24.295 -30.418 10.469 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -24.446 -30.812 11.947 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -18.975 -19.361 14.374 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -19.622 -18.952 13.750 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -18.616 -20.122 13.874 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -18.636 -21.511 21.732 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -18.199 -21.138 20.938 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -19.067 -20.737 22.153 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -18.814 -18.495 19.176 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -18.194 -19.238 19.347 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -19.371 -18.817 18.433 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -16.173 -12.718 17.527 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -15.619 -12.541 18.319 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -16.529 -13.604 17.680 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -17.179 -20.665 19.579 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -16.364 -20.899 20.101 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -17.107 -21.198 18.780 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -20.656 -18.633 12.345 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -21.492 -19.064 12.151 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -20.528 -18.011 11.591 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -17.448 -16.119 18.973 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -17.979 -16.949 19.013 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -17.132 -16.083 18.049 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -24.593 -30.261 18.552 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -25.061 -29.427 18.640 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -23.684 -30.061 18.861 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -15.999 -15.915 16.576 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -15.979 -16.734 16.030 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -15.191 -15.979 17.139 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -16.380 -17.994 14.757 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -16.031 -18.245 13.870 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -17.243 -18.448 14.809 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -13.859 -16.224 24.987 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -14.383 -16.998 24.728 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -13.932 -16.206 25.968 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -19.461 -22.441 15.235 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -18.933 -22.173 14.455 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -19.443 -21.664 15.812 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -15.129 -22.080 8.300 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -15.200 -21.294 8.900 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -14.213 -22.394 8.437 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -15.884 -18.425 12.111 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -16.138 -17.607 11.643 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -15.383 -18.935 11.443 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -17.271 -23.915 21.552 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -17.788 -23.083 21.606 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -16.328 -23.607 21.511 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -19.333 -17.284 21.670 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -19.239 -17.711 20.796 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -19.455 -18.032 22.289 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -17.187 -15.257 14.156 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -16.914 -15.226 15.092 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -17.002 -16.172 13.891 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -13.642 -14.113 23.178 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -13.789 -14.876 23.778 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -14.544 -13.860 22.885 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -16.377 -10.546 9.050 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -16.081 -9.622 8.907 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -16.006 -11.038 8.287 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -18.203 -13.621 12.205 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -18.888 -14.043 11.650 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -17.894 -14.344 12.800 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -20.126 -29.557 23.566 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -21.087 -29.620 23.529 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -19.816 -30.405 23.184 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -16.597 -26.271 23.792 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -17.333 -25.717 24.141 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -17.050 -27.068 23.442 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -21.804 -23.560 14.484 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -20.908 -23.308 14.817 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -21.637 -23.890 13.591 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -18.200 -22.237 24.384 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -17.756 -21.439 24.732 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -18.327 -22.043 23.435 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -22.062 -21.517 16.484 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -22.035 -22.103 15.706 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -22.156 -22.119 17.230 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -23.382 -26.161 12.664 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -23.838 -25.681 13.380 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -23.330 -27.086 12.991 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -19.391 -25.450 22.202 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -18.698 -24.836 21.870 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -19.411 -25.280 23.171 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -21.997 -29.811 19.269 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -21.551 -30.492 18.713 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -21.543 -28.984 19.034 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -24.343 -24.506 14.668 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -23.420 -24.158 14.711 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -24.889 -23.716 14.593 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -16.798 -29.968 21.493 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -17.391 -29.230 21.768 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -17.263 -30.374 20.732 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -22.755 -25.248 10.180 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -21.805 -25.091 10.320 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -23.102 -25.453 11.076 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -20.326 -26.546 19.835 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -20.144 -26.084 20.680 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -21.118 -26.094 19.478 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -18.144 -21.639 12.954 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -18.705 -21.624 12.141 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -17.351 -22.126 12.682 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -19.325 -21.656 10.500 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -19.621 -22.105 9.702 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -18.820 -20.884 10.169 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -18.249 -14.773 21.237 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -18.709 -15.544 21.637 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -18.133 -15.031 20.302 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -20.045 -19.641 16.961 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -19.756 -19.382 16.063 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -20.871 -20.150 16.812 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -19.508 -19.464 23.360 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -18.673 -19.447 23.885 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -20.188 -19.676 24.008 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -16.081 -13.314 22.018 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -16.969 -13.726 21.854 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -16.280 -12.360 22.146 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -18.289 -27.921 22.430 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -18.789 -27.104 22.204 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -18.949 -28.481 22.902 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -20.536 -17.043 10.133 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -20.089 -17.265 9.289 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -20.475 -16.068 10.188 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -20.339 -28.092 17.602 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -20.186 -27.510 18.384 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -19.473 -28.492 17.433 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -18.715 -24.837 24.771 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -18.596 -23.857 24.691 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -18.552 -25.019 25.719 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -22.375 -26.042 18.024 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -21.839 -26.686 17.538 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -23.269 -26.129 17.629 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -24.690 -26.417 16.582 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -24.596 -25.739 15.878 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -25.487 -26.898 16.341 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -18.667 -11.998 8.486 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -18.178 -12.838 8.626 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -18.042 -11.309 8.783 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -18.849 -17.893 8.151 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -18.558 -18.644 8.712 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -18.071 -17.697 7.593 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -15.502 -19.412 22.605 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -15.530 -18.735 21.924 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -15.300 -20.246 22.107 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -16.576 -20.504 6.473 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -15.928 -20.965 7.043 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -17.407 -20.980 6.633 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -17.158 -19.651 24.759 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -16.858 -19.007 25.433 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -16.485 -19.575 24.039 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -14.476 -23.657 27.989 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -14.891 -24.370 28.532 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -13.916 -23.159 28.632 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -17.153 -22.848 27.685 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -17.633 -23.683 27.524 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -16.218 -23.118 27.726 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -14.014 -27.883 32.310 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -14.975 -27.910 32.512 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -13.745 -26.972 32.552 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -12.492 -13.990 20.674 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -12.876 -14.135 21.567 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -12.178 -14.882 20.401 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -14.053 -16.380 27.792 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -14.286 -16.935 28.575 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -13.106 -16.149 27.939 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -15.346 -15.632 20.675 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -15.603 -14.865 21.216 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -16.182 -15.914 20.251 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -14.509 -12.431 19.688 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -15.063 -12.543 20.479 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -13.726 -12.997 19.864 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -16.356 -10.548 22.052 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -16.063 -10.024 21.281 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -17.133 -10.076 22.377 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -18.533 -30.934 19.461 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -19.311 -31.259 18.963 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -17.948 -30.557 18.764 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -21.947 -29.726 15.866 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -21.448 -29.015 16.313 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -22.310 -29.298 15.062 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -19.935 -14.319 10.078 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -20.261 -13.432 9.874 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -19.117 -14.400 9.548 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -15.008 -28.359 29.515 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -14.762 -28.418 30.449 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.160 -29.287 29.247 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -15.050 -13.149 26.304 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -15.372 -13.774 25.645 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -15.095 -13.639 27.137 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -11.565 -24.255 37.447 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -10.872 -24.475 38.113 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -12.097 -25.081 37.372 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -9.695 -24.727 39.421 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -10.065 -23.983 39.942 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -9.512 -25.419 40.091 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -15.536 -25.027 34.211 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -14.574 -25.117 34.051 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.731 -25.722 34.866 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -12.923 -18.457 38.903 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -13.013 -17.527 39.128 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -12.182 -18.479 38.258 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -16.455 -21.586 30.316 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -17.150 -22.193 30.031 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -16.258 -21.060 29.517 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -11.368 -15.811 27.797 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -10.638 -15.329 28.206 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -11.129 -15.850 26.850 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -16.140 -20.314 27.869 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -16.649 -21.120 27.626 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -15.425 -20.274 27.201 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -17.701 -25.561 27.236 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -17.887 -26.479 26.927 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -17.046 -25.681 27.953 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -15.737 -25.739 29.218 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -15.455 -26.683 29.177 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -16.089 -25.639 30.134 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -13.016 -22.405 29.903 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -12.766 -21.488 30.049 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -13.496 -22.657 30.727 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -16.263 -17.800 26.739 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -16.389 -18.553 27.350 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -15.592 -17.247 27.179 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -14.725 -18.132 29.835 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -15.317 -18.892 29.897 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -14.381 -18.018 30.752 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -16.673 -28.481 32.902 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -17.015 -28.745 33.780 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -16.550 -29.329 32.428 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.600 -25.863 31.819 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.853 -26.759 32.110 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -16.343 -25.408 32.647 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -13.630 -17.863 32.312 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -12.895 -17.273 32.495 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -13.881 -18.218 33.194 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -9.663 -17.380 35.196 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -9.922 -16.464 35.326 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -10.183 -17.875 35.868 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -14.235 -18.681 34.864 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -14.099 -19.558 35.243 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -14.898 -18.276 35.432 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -14.704 -22.819 31.992 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -15.206 -23.264 32.690 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -15.386 -22.329 31.479 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -12.926 -26.552 36.788 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -12.608 -27.437 36.552 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -13.895 -26.612 36.676 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -12.971 -21.036 39.751 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -13.854 -21.205 40.096 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -12.972 -20.070 39.548 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -12.934 -25.726 33.855 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -12.419 -24.907 34.030 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -12.684 -26.320 34.578 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -17.239 -29.512 35.449 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -16.805 -30.347 35.145 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.006 -29.813 35.947 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -15.336 -27.483 35.762 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -14.606 -28.040 35.430 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -16.108 -28.087 35.780 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -12.901 -28.654 34.825 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -13.139 -28.488 33.894 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -12.243 -29.367 34.777 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.394 -9.284 -10.529 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -14.611 -8.765 -10.751 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -16.082 -8.935 -11.106 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.058 -8.050 2.654 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -14.246 -8.977 2.937 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.245 -7.513 3.456 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -17.536 -9.118 2.762 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -17.901 -8.259 3.053 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -17.032 -8.904 1.953 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -13.550 -2.486 3.442 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -13.008 -1.667 3.368 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -14.289 -2.334 2.850 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -19.330 -4.580 2.764 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -19.158 -3.672 3.032 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -19.937 -4.498 2.020 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -13.177 -7.950 -6.369 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -13.527 -7.502 -5.566 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -13.959 -8.419 -6.744 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -12.191 -2.602 8.359 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -12.109 -3.515 8.717 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -12.613 -2.107 9.069 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -14.158 -5.652 7.563 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -14.068 -4.860 6.985 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -13.472 -5.524 8.247 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -18.617 -6.878 4.091 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -19.412 -6.896 4.635 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -18.717 -6.061 3.551 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.540 -7.078 5.173 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.377 -6.497 5.938 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -15.389 -7.519 5.386 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -11.152 -4.805 0.952 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -12.098 -4.619 1.028 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -10.773 -4.469 1.799 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -16.910 -8.269 5.828 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -16.968 -9.186 5.501 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -17.500 -7.763 5.230 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -11.920 -5.190 9.271 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -11.266 -5.764 8.829 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -11.883 -5.465 10.203 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -11.233 -5.108 5.420 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -10.997 -4.782 4.529 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -12.152 -4.795 5.554 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -13.476 -3.600 5.926 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -13.217 -2.850 6.489 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -13.568 -3.206 5.024 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -8.363 -11.927 6.921 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -7.683 -11.358 6.496 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -9.169 -11.786 6.372 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -9.959 -5.829 -3.041 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -10.875 -5.931 -3.341 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -9.438 -5.764 -3.877 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -13.069 -8.136 9.601 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -13.896 -7.977 9.100 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -13.142 -9.073 9.886 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -15.223 -9.349 -7.567 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -15.663 -9.028 -8.364 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -14.975 -10.269 -7.788 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -12.030 -10.528 7.962 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -12.579 -10.666 8.767 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -12.409 -11.147 7.309 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -15.919 -10.841 -1.038 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -15.902 -10.192 -0.300 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -16.834 -11.146 -1.061 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -15.774 -8.589 0.576 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -15.419 -8.175 -0.228 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -15.131 -8.338 1.278 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -14.010 -14.616 2.190 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -14.807 -15.167 2.052 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -13.733 -14.377 1.287 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -14.042 -6.844 -4.000 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -14.849 -6.324 -3.964 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -14.139 -7.490 -3.268 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -14.814 -10.218 13.009 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.350 -10.823 12.443 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -15.454 -9.571 13.336 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -11.060 -11.727 21.276 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -11.176 -11.881 22.238 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -11.558 -12.461 20.859 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -13.497 -10.081 18.565 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -14.102 -9.440 18.996 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -13.743 -10.941 18.965 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -13.944 -15.989 18.362 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -13.036 -16.176 18.642 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -14.432 -15.862 19.207 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -15.063 -7.349 22.191 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -15.142 -6.605 22.826 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.600 -8.051 22.701 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -16.119 -11.943 11.412 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -16.857 -12.577 11.555 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -16.343 -11.501 10.563 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -15.198 -5.246 23.935 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -15.541 -5.004 24.800 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -14.853 -4.423 23.576 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -15.511 -7.975 8.199 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -16.126 -8.132 7.450 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -15.197 -7.057 8.057 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.101 -9.715 15.895 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -13.426 -9.194 15.416 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -13.786 -9.725 16.822 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -11.175 -11.010 12.021 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -11.109 -11.065 12.991 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -10.587 -10.260 11.787 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -14.109 -9.576 23.403 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -14.828 -10.105 23.015 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -13.777 -10.126 24.140 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -15.468 -8.570 19.842 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -15.250 -8.055 20.657 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -15.923 -7.935 19.278 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -17.574 -12.017 14.335 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -18.313 -12.081 14.949 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -17.877 -12.511 13.541 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -8.327 -36.240 5.264 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -8.180 -37.194 5.200 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -9.225 -36.165 5.656 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -7.930 -30.488 2.201 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -8.151 -31.083 2.952 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -6.989 -30.692 2.004 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 0.238 -29.457 2.385 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -0.653 -29.769 2.139 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 0.075 -28.598 2.849 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -5.023 -33.672 3.283 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -5.028 -33.502 4.244 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -5.266 -34.622 3.209 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -7.172 -31.676 8.210 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -7.436 -32.517 7.784 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -6.675 -31.959 9.005 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 4.641 -31.747 4.651 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 3.900 -31.262 4.227 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 4.780 -32.507 4.083 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -2.424 -30.064 1.474 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -1.886 -30.501 0.767 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -3.057 -29.502 0.979 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -5.197 -31.300 2.049 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -5.125 -32.259 2.284 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -4.301 -31.059 1.761 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -5.948 -36.188 3.762 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -6.866 -36.064 4.058 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -5.546 -36.739 4.460 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -3.351 -29.863 6.038 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -2.956 -29.327 5.319 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -4.193 -30.178 5.662 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -8.063 -28.951 5.067 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -7.310 -28.558 4.579 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -8.125 -29.864 4.717 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.197 -30.791 0.146 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -11.306 -30.411 0.037 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -12.469 -30.509 1.044 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 5.582 -30.855 7.061 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 5.396 -31.238 6.172 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 4.737 -30.418 7.309 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -4.354 -33.639 8.455 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -4.240 -34.585 8.673 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -4.898 -33.291 9.191 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -6.905 -27.047 0.166 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -6.705 -26.535 0.985 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -6.199 -27.720 0.130 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -7.354 -38.090 7.890 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -8.190 -38.241 7.403 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -7.145 -38.957 8.273 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -5.549 -33.137 5.975 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -6.380 -33.549 6.290 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -4.932 -33.245 6.731 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -2.304 -40.734 9.770 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -1.415 -40.788 9.405 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -2.620 -41.669 9.766 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -2.237 -31.617 7.823 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -2.703 -30.982 7.234 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -2.903 -32.300 8.015 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -5.571 -30.692 4.677 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -5.645 -31.542 5.167 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -5.446 -30.966 3.742 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 0.006 -29.983 7.906 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -0.797 -30.541 7.802 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 0.267 -29.764 6.992 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -8.632 -40.713 8.152 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -7.846 -41.028 7.671 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -9.123 -40.190 7.487 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -11.178 -31.641 5.766 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -11.232 -30.668 5.654 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -12.108 -31.941 5.701 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 2.640 -30.392 3.331 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 1.814 -30.279 2.814 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 3.122 -29.547 3.197 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -2.195 -35.090 10.633 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -2.561 -34.658 11.420 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -2.967 -35.533 10.223 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -8.054 -33.495 12.036 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -7.653 -33.897 12.832 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -8.781 -34.106 11.800 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -6.023 -40.618 7.090 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -5.423 -40.144 7.713 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -5.881 -40.173 6.243 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -2.532 -38.315 11.084 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -1.632 -37.931 11.182 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -2.374 -39.208 10.721 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -7.106 -40.255 10.403 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -7.856 -40.443 9.798 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -7.530 -39.833 11.185 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -5.355 -37.604 6.111 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -4.594 -37.437 6.677 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -6.115 -37.630 6.732 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -5.637 -42.393 9.222 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -6.163 -41.866 9.851 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -5.812 -41.976 8.358 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -11.100 -37.920 11.074 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -11.013 -38.222 11.994 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -10.709 -37.016 11.077 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -17.883 -27.946 3.910 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -17.160 -28.235 4.484 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -17.996 -28.690 3.273 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -9.517 -29.855 -0.013 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -9.140 -30.351 -0.748 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -8.955 -30.099 0.756 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 3.598 -27.816 3.215 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 3.191 -27.068 3.700 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 3.443 -27.605 2.269 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 4.060 -27.217 7.323 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 4.390 -26.991 8.220 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 3.631 -28.094 7.444 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 1.737 -31.705 13.374 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 2.482 -31.545 13.978 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 2.162 -32.011 12.548 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 1.311 -29.341 5.536 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 0.891 -28.580 5.103 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 1.717 -29.840 4.800 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -8.681 -31.684 4.567 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -9.598 -31.777 4.915 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -8.208 -32.435 4.950 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -12.043 -39.762 9.335 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -11.715 -39.073 9.963 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -11.249 -40.058 8.876 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -0.657 -30.974 -0.374 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -0.219 -31.728 -0.778 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 0.005 -30.246 -0.445 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -3.294 -25.777 3.178 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -3.287 -26.664 3.587 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -2.420 -25.395 3.424 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -2.679 -28.524 3.771 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -2.616 -29.174 3.041 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -1.788 -28.104 3.797 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -10.145 -28.902 2.803 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -9.342 -29.453 2.691 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -10.033 -28.188 2.159 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -6.012 -25.874 2.424 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -6.104 -26.604 3.069 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -5.164 -25.458 2.658 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -5.723 -28.023 4.067 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -5.203 -27.551 4.759 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -5.509 -28.970 4.216 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 3.107 -29.779 7.591 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 2.417 -29.668 6.900 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 2.685 -30.355 8.256 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -0.590 -34.555 18.134 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -0.729 -33.592 18.015 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -1.393 -34.965 17.740 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 0.366 -34.817 23.646 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 0.136 -35.752 23.573 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -0.421 -34.346 23.283 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -8.451 -35.758 23.165 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -8.289 -34.821 22.940 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -7.963 -36.252 22.480 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 1.848 -32.870 17.768 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 1.490 -33.764 17.645 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 1.052 -32.296 17.769 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -10.178 -37.642 15.523 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -9.709 -37.118 14.837 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -10.599 -38.362 15.019 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -8.938 -34.918 19.385 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -9.550 -35.449 18.829 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -8.981 -34.023 18.997 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -3.007 -35.698 17.292 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -3.895 -35.447 16.964 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -3.191 -36.264 18.072 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -0.685 -31.799 17.982 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -0.883 -31.234 18.736 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -1.322 -31.497 17.283 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -4.505 -33.637 22.467 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -4.788 -32.975 23.135 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -3.531 -33.675 22.567 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -5.276 -31.751 24.241 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -5.828 -32.282 24.862 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -5.785 -30.910 24.132 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 3.409 -30.400 15.172 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 3.904 -30.557 16.008 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 2.475 -30.327 15.465 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 3.635 -34.221 24.709 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 4.114 -34.932 24.247 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 3.245 -33.692 23.988 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -3.568 -36.942 13.193 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -3.145 -37.463 12.477 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -4.526 -37.091 13.057 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -2.027 -35.338 14.715 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -2.276 -35.478 15.650 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -2.563 -36.003 14.222 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -0.903 -38.251 18.955 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -1.168 -38.731 18.169 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -1.746 -37.918 19.328 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -10.644 -36.484 17.885 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -10.346 -36.849 17.014 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -10.905 -37.264 18.387 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -5.671 -33.627 20.088 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -5.008 -33.520 19.395 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -5.145 -33.635 20.927 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -6.931 -32.668 26.158 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -6.948 -31.936 26.829 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -7.662 -32.446 25.545 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -7.757 -34.694 27.775 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -7.440 -33.888 27.310 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -7.583 -35.419 27.127 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -8.378 -39.024 12.565 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -8.618 -38.096 12.772 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -9.135 -39.538 12.885 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 3.596 -31.829 11.153 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 2.876 -31.707 10.492 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 4.392 -32.012 10.604 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -10.149 -35.772 28.447 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -9.930 -36.628 28.824 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -9.278 -35.383 28.208 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 3.795 -29.206 24.157 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 4.547 -29.602 23.706 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 3.018 -29.659 23.770 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -8.004 -33.360 21.790 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -7.101 -33.285 21.425 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -8.506 -33.804 21.082 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 1.576 -31.589 9.373 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 0.962 -32.179 9.865 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 0.977 -31.010 8.847 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -14.150 -42.211 12.461 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -14.115 -42.161 11.474 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -15.026 -41.868 12.684 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -4.771 -37.348 22.021 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -4.769 -37.112 22.965 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -5.577 -36.922 21.667 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -3.118 -43.329 9.474 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -4.066 -43.063 9.406 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -3.137 -44.286 9.406 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -4.705 -39.400 9.130 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -5.360 -39.645 9.814 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -3.869 -39.811 9.438 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -8.234 -32.771 29.929 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -7.755 -32.157 29.322 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -8.194 -33.631 29.471 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -1.865 -35.064 20.649 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -1.195 -34.773 20.007 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -1.799 -34.416 21.383 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -6.655 -34.980 13.909 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -6.304 -35.791 13.477 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -6.229 -34.977 14.798 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 4.532 -36.276 23.005 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 3.954 -35.996 22.254 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 5.339 -36.583 22.578 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 0.173 -32.894 25.680 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -0.183 -32.308 24.959 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 0.459 -33.700 25.201 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -6.877 -36.030 20.812 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -7.670 -35.937 20.246 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -6.314 -35.276 20.552 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -5.936 -32.746 10.542 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -5.349 -32.581 11.299 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -6.780 -33.047 10.958 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -7.292 -36.286 25.625 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -7.785 -36.167 24.789 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -6.365 -36.412 25.339 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 1.138 -30.517 26.911 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 1.854 -30.281 26.303 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 0.694 -31.272 26.475 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 4.954 -30.320 12.961 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 4.415 -30.346 13.782 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 4.483 -30.928 12.346 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 1.039 -36.365 19.435 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 0.528 -35.708 18.922 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 0.486 -37.176 19.395 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -5.403 -34.558 16.312 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -4.845 -33.746 16.163 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -6.045 -34.283 16.977 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -2.113 -33.307 12.965 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -1.937 -34.022 13.632 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -3.083 -33.145 13.041 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 5.894 -31.881 9.579 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 5.826 -31.632 8.630 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 6.664 -32.489 9.613 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -0.276 -36.826 11.497 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 0.085 -36.383 12.271 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -0.831 -36.141 11.065 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -4.762 -32.895 13.360 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -4.553 -32.576 14.275 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -5.497 -33.521 13.493 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -3.283 -37.111 19.707 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -2.787 -36.354 20.102 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -3.860 -37.420 20.439 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -8.968 -36.471 13.407 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -8.242 -35.863 13.656 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -9.362 -36.058 12.595 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 2.052 -28.794 20.804 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 1.928 -29.465 21.508 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 3.005 -28.855 20.583 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -10.803 -32.078 25.982 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -11.128 -32.951 26.294 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -10.087 -32.298 25.350 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -2.594 -34.177 25.216 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -2.345 -33.912 24.300 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -2.186 -33.503 25.772 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -4.463 -36.312 9.570 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -4.170 -37.221 9.771 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -5.417 -36.313 9.798 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 3.655 -37.644 25.230 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 3.919 -37.129 24.439 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 3.801 -38.558 24.975 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -6.155 -37.298 12.554 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -6.667 -38.108 12.737 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -6.484 -37.004 11.672 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -7.190 -36.579 10.138 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -8.029 -36.066 10.111 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -7.227 -37.129 9.325 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -2.450 -36.441 26.750 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -2.429 -35.678 26.135 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -1.537 -36.808 26.711 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -4.589 -36.428 24.863 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -4.093 -36.846 25.590 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -4.181 -35.551 24.775 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 2.465 -35.675 26.694 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 2.947 -36.481 26.401 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 2.824 -34.965 26.115 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 4.740 -28.845 20.329 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 5.086 -28.102 19.798 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 5.233 -28.778 21.177 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 0.728 -34.017 28.112 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 1.439 -34.650 27.875 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 0.505 -33.582 27.261 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -0.347 -32.939 10.807 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -0.872 -33.071 11.617 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -0.780 -33.512 10.154 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 3.220 -35.432 20.772 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 2.455 -35.868 20.320 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 3.685 -34.957 20.046 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 2.351 -33.362 22.414 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 1.606 -33.854 22.823 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 2.685 -33.970 21.722 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -11.104 -34.998 23.585 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -10.218 -35.414 23.538 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -11.595 -35.550 24.218 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -6.655 -29.452 24.484 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -6.350 -28.507 24.473 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -7.110 -29.543 25.363 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 1.828 -30.692 22.874 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 2.162 -31.591 22.658 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 0.891 -30.847 23.149 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -7.393 -32.181 38.538 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -7.733 -33.034 38.249 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -8.126 -31.800 39.085 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 5.672 -28.129 36.249 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 5.189 -28.916 36.517 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 5.564 -27.511 37.009 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -3.736 -28.567 33.680 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -3.556 -27.731 34.134 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -4.678 -28.500 33.419 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -10.554 -31.485 30.968 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -11.143 -32.083 30.486 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -9.656 -31.828 30.772 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 2.102 -27.587 35.253 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 2.437 -27.605 34.335 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 1.422 -28.283 35.270 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -0.096 -27.948 32.356 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -0.143 -28.396 33.228 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -0.357 -28.646 31.717 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -5.349 -28.803 38.797 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -4.959 -27.944 38.569 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -5.860 -29.055 37.997 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 0.100 -29.645 34.521 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 0.342 -30.450 34.010 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -0.695 -29.903 35.004 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 1.217 -31.551 29.490 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 1.338 -31.171 28.595 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 1.108 -32.509 29.329 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -2.992 -32.393 28.632 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -2.766 -33.338 28.809 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -2.134 -31.955 28.571 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 0.165 -37.128 26.931 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 0.947 -36.568 26.745 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 0.510 -37.839 27.478 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -3.396 -33.053 32.561 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -4.300 -33.111 32.893 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -3.256 -32.097 32.414 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -0.989 -33.399 31.318 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -1.834 -33.400 31.821 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -1.162 -33.992 30.563 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -0.710 -29.846 30.472 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -1.480 -30.232 30.950 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -0.117 -30.614 30.307 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -7.279 -29.810 37.099 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -7.457 -29.950 36.137 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -7.242 -30.717 37.467 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -4.557 -32.766 43.813 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -4.747 -33.278 44.635 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -3.976 -33.343 43.307 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -2.985 -30.413 31.860 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -3.195 -29.736 32.549 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -3.805 -30.474 31.327 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 2.400 -30.226 31.679 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 2.208 -30.605 30.801 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 1.867 -30.767 32.290 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -1.793 -34.799 28.924 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -0.860 -34.727 28.631 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -2.165 -35.516 28.367 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -9.516 -31.327 42.816 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -9.905 -32.134 43.170 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -8.545 -31.516 42.795 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -6.828 -31.763 32.149 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -6.130 -31.448 31.551 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -7.430 -32.263 31.567 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -10.345 -30.003 33.441 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -10.425 -30.620 32.689 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -10.451 -29.116 33.036 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -4.957 -31.149 30.092 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -4.354 -31.827 29.718 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -5.710 -31.110 29.440 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -7.801 -30.477 34.513 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -7.346 -30.895 33.752 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -8.721 -30.356 34.203 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -10.330 -29.460 25.387 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -9.459 -29.327 25.823 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -10.545 -30.391 25.575 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -10.144 -28.656 42.827 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -9.885 -29.601 42.850 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -10.835 -28.585 43.488 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 0.050 -26.117 30.358 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 0.184 -26.694 29.578 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 0.049 -26.737 31.117 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -6.907 -31.967 42.565 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -6.491 -31.705 41.719 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -6.157 -32.269 43.115 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -1.813 -28.885 41.863 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -1.283 -29.071 42.641 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -2.655 -29.359 42.027 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -5.436 -25.714 38.288 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -5.828 -24.947 38.764 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -4.827 -25.300 37.628 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -5.130 -34.493 45.860 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -6.046 -34.543 46.152 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -4.665 -35.123 46.422 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -7.988 -28.465 39.450 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -8.157 -28.804 38.550 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -7.012 -28.454 39.514 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -5.502 -31.152 40.259 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -5.270 -30.346 39.746 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -6.052 -31.675 39.638 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -4.155 -30.260 42.485 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -4.541 -30.636 41.664 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -4.246 -30.979 43.141 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 0.627 -31.940 33.034 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 0.016 -32.348 32.375 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 1.069 -32.695 33.439 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -0.059 -8.037 -21.071 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 0.379 -8.883 -21.218 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -0.250 -7.709 -21.958 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 1.171 -12.220 -11.072 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 0.434 -12.647 -11.553 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 1.109 -12.584 -10.162 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -1.054 -11.579 -8.347 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -0.200 -12.046 -8.217 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -1.684 -12.076 -7.795 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -4.693 -10.531 -13.347 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -5.622 -10.348 -13.524 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -4.286 -9.640 -13.244 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 3.993 -12.354 -11.421 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 3.025 -12.191 -11.431 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 4.273 -12.184 -12.342 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -3.879 -12.042 -11.251 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -4.205 -11.667 -12.099 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -3.089 -11.496 -11.041 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -3.387 -10.275 -6.719 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -3.434 -11.217 -6.956 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -4.313 -10.023 -6.541 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -0.836 -12.896 -12.889 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -1.091 -13.826 -12.890 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -1.507 -12.465 -13.477 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -1.198 -8.872 -7.629 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -2.084 -9.111 -7.281 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -0.852 -9.712 -7.974 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 0.949 -10.192 -16.367 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 0.855 -10.506 -15.440 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 0.570 -10.905 -16.896 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -6.429 -12.090 -10.191 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -6.440 -12.986 -9.808 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -5.552 -12.024 -10.622 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 1.354 -12.841 -8.386 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 2.186 -12.707 -7.883 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 1.160 -13.805 -8.277 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -14.799 -11.606 -9.134 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -15.146 -12.393 -9.559 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -15.001 -10.883 -9.761 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -3.757 -14.118 -9.467 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -3.746 -13.447 -10.190 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -4.711 -14.266 -9.291 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 5.887 -10.163 -16.364 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 5.266 -9.496 -16.732 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 6.488 -10.366 -17.113 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 2.901 -9.687 -12.400 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 3.860 -9.719 -12.197 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 2.864 -9.311 -13.306 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 0.599 -10.672 -13.728 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 1.315 -10.493 -13.083 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 0.196 -11.509 -13.411 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -4.710 -17.587 -1.265 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -3.779 -17.421 -1.511 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -4.953 -16.825 -0.704 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -2.505 -11.638 -14.594 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -2.195 -10.769 -14.919 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -3.407 -11.458 -14.264 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -1.637 -10.500 -10.761 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -0.860 -10.727 -11.286 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -1.424 -10.836 -9.858 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 2.547 -9.913 -9.613 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 2.101 -10.766 -9.527 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 2.627 -9.784 -10.577 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -7.832 -20.016 -3.238 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -8.370 -20.834 -3.117 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -8.222 -19.590 -4.038 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 3.217 -25.695 5.049 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 3.421 -26.078 5.927 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 2.834 -24.803 5.257 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -6.642 -24.854 -1.528 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -6.676 -25.679 -1.006 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -5.705 -24.585 -1.488 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 4.314 -24.765 2.732 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 3.564 -24.932 2.118 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 3.953 -25.002 3.618 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -5.717 -21.806 1.776 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -5.764 -21.374 0.897 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -4.830 -22.242 1.782 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 1.035 -23.300 3.050 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 0.334 -23.943 3.325 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 1.598 -23.205 3.859 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -3.114 -25.885 0.471 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -3.526 -25.185 -0.078 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -3.252 -25.579 1.395 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -0.193 -18.573 -1.440 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 0.597 -18.026 -1.655 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -0.930 -18.114 -1.889 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -2.158 -16.951 -2.631 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -1.699 -16.194 -3.011 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -2.476 -17.456 -3.415 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -3.004 -18.152 -4.936 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -2.444 -18.890 -5.271 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -3.855 -18.587 -4.716 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 0.250 -21.201 -0.683 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 0.826 -21.047 0.093 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 0.018 -20.302 -0.994 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -1.880 -20.578 -5.640 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -1.776 -21.304 -4.992 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -1.620 -20.972 -6.477 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -8.789 -18.969 -5.561 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -9.665 -19.310 -5.880 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -8.184 -19.165 -6.284 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 4.248 -14.172 -9.354 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 3.850 -14.996 -9.651 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 4.181 -13.577 -10.133 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -4.224 -22.017 -3.441 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -3.311 -22.219 -3.742 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -4.741 -22.784 -3.720 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 1.880 -21.053 1.584 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 1.435 -21.752 2.112 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 2.809 -21.348 1.540 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -3.151 -22.601 2.073 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -2.353 -22.645 1.533 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -2.816 -22.626 3.000 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -11.017 -23.061 0.401 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -11.504 -23.890 0.590 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -10.286 -23.346 -0.178 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -3.950 -24.043 -1.417 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -4.046 -23.118 -1.701 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -3.007 -24.254 -1.606 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -9.642 -21.986 -2.705 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -9.504 -22.830 -2.215 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -10.480 -22.117 -3.166 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -2.229 -22.916 4.606 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -1.552 -23.606 4.405 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -2.613 -23.200 5.447 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -9.332 -24.369 -1.367 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -9.624 -25.252 -1.067 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -8.360 -24.469 -1.496 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -5.691 -16.811 -3.777 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -5.665 -17.709 -4.166 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -5.460 -16.957 -2.837 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -1.695 -22.939 -4.113 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -0.889 -23.278 -4.567 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -1.689 -23.406 -3.253 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -1.888 -16.013 -8.814 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -2.361 -16.821 -9.032 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -2.510 -15.295 -9.066 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 3.733 -9.882 -6.966 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 3.395 -9.566 -7.824 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 3.703 -10.857 -7.045 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -11.107 -19.902 -6.468 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -11.685 -20.382 -5.832 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -11.670 -19.760 -7.235 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 0.666 -15.449 -8.109 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -0.252 -15.596 -8.437 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 0.815 -16.174 -7.497 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 5.270 -6.564 -8.799 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 5.304 -6.811 -9.736 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 5.925 -7.151 -8.373 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 1.959 -16.890 -1.706 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 2.707 -16.940 -2.308 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 2.266 -16.290 -0.992 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -3.205 -13.145 -6.969 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -3.356 -13.906 -6.370 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -3.365 -13.512 -7.866 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -9.781 -16.629 -4.439 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -9.471 -17.447 -4.876 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -9.053 -15.985 -4.593 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -5.800 -20.152 -0.522 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -5.282 -19.340 -0.697 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -5.997 -20.499 -1.400 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -1.272 -24.540 -1.840 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -1.101 -25.423 -1.481 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -0.392 -24.099 -1.817 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -7.580 -15.068 -4.861 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -6.884 -15.652 -4.492 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -7.094 -14.407 -5.371 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 3.844 -12.637 -7.172 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 4.507 -12.892 -6.521 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 4.053 -13.196 -7.960 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -6.364 -14.370 -8.584 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -6.583 -13.866 -7.767 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -6.929 -15.152 -8.536 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -3.727 -15.316 -5.134 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -4.492 -15.676 -4.644 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -3.202 -16.105 -5.356 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -5.291 -19.542 -4.164 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -4.795 -20.355 -3.924 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -6.199 -19.713 -3.834 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -12.224 -15.746 -3.661 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -11.376 -16.100 -4.019 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -12.369 -14.917 -4.165 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 3.179 -15.215 0.151 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 3.891 -15.860 0.352 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 3.166 -14.624 0.933 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 4.432 -22.217 1.636 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 4.393 -23.150 1.934 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 4.847 -21.742 2.399 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 5.558 -21.164 3.842 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 4.839 -21.155 4.529 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 6.204 -20.503 4.165 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 1.196 -23.338 -2.048 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 2.104 -23.414 -1.675 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 0.831 -22.525 -1.622 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 2.078 -24.931 1.194 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 1.742 -24.181 1.732 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 1.267 -25.441 0.972 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 1.226 -29.049 -0.147 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 1.986 -28.433 -0.157 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 0.953 -29.073 0.789 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 3.285 -27.298 0.498 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 4.242 -27.175 0.301 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 2.914 -26.392 0.456 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -9.666 -27.010 -0.235 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -9.832 -27.965 -0.321 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -8.694 -26.947 -0.126 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -4.427 -28.245 0.871 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -3.914 -27.446 0.612 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -4.667 -28.083 1.794 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -0.318 -26.222 1.112 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -0.326 -26.435 2.073 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -1.258 -26.195 0.865 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -7.031 -12.723 -6.506 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -7.705 -12.492 -5.822 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -7.145 -12.026 -7.189 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -9.002 -14.203 25.992 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -9.716 -14.756 25.624 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -8.692 -13.677 25.230 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 3.539 -13.682 27.644 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 2.658 -13.783 28.048 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 4.102 -14.285 28.153 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 1.055 -7.675 24.822 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 1.706 -7.007 25.121 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 1.432 -8.019 23.977 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -13.358 -11.149 25.534 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -13.989 -11.858 25.808 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -13.244 -10.617 26.328 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -6.154 -16.530 28.660 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -5.332 -15.991 28.608 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -6.071 -17.160 27.929 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 0.604 -28.296 28.591 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 0.726 -28.957 27.884 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 0.122 -28.783 29.289 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -11.056 -15.842 25.006 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -10.718 -16.099 24.141 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -12.028 -15.937 24.923 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -8.740 -12.773 23.583 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -8.377 -11.880 23.561 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -9.708 -12.638 23.663 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -10.308 -9.120 21.785 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -11.102 -8.581 21.861 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -10.643 -10.003 21.527 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -7.329 -13.867 21.217 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -7.883 -13.758 22.013 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -6.654 -13.165 21.302 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -2.353 -18.909 38.811 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -2.101 -19.601 38.157 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -2.191 -19.336 39.680 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -11.827 -21.530 37.290 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -11.611 -22.487 37.319 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -12.311 -21.373 38.125 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 -3.481 -14.684 36.471 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 -2.748 -15.073 36.981 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -4.189 -15.359 36.521 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -11.673 -23.486 34.835 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -12.102 -22.622 34.848 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -11.629 -23.745 35.783 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -8.684 -19.971 34.961 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -7.781 -19.941 34.560 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -9.052 -19.081 34.784 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -1.687 -16.759 37.131 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -1.944 -17.424 37.801 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -0.792 -17.038 36.853 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -1.803 -20.784 36.894 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -1.654 -21.734 37.091 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -1.318 -20.633 36.066 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -3.682 -24.462 36.631 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -2.783 -24.124 36.828 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -3.637 -24.733 35.695 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -1.571 -19.251 34.459 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -2.013 -19.802 33.802 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -2.074 -18.408 34.443 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -4.767 -17.592 39.063 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -3.827 -17.867 38.990 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -4.943 -17.116 38.227 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 5.011 -24.562 35.329 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 5.454 -25.288 34.854 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 4.209 -24.979 35.709 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -6.444 -16.703 33.906 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -7.401 -16.627 34.019 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -6.274 -16.314 33.018 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -0.610 -15.301 30.798 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -0.238 -15.683 31.624 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -1.573 -15.260 30.970 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 2.701 -16.665 34.938 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 2.614 -15.712 35.028 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 1.975 -17.026 35.485 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -6.151 -19.447 34.281 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -5.350 -19.607 34.819 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -6.081 -18.511 34.020 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -8.140 -22.632 41.380 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -8.106 -22.181 42.244 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -9.069 -22.527 41.092 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -0.016 -16.605 33.134 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -0.860 -16.634 33.636 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 0.638 -16.974 33.749 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 1.081 -14.161 28.967 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 0.510 -14.575 29.663 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 0.608 -14.338 28.141 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 0.589 -11.597 29.987 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 1.339 -11.435 30.603 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 0.796 -12.463 29.586 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -1.968 -11.391 31.066 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -1.024 -11.387 30.793 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -2.128 -12.301 31.344 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -1.329 -26.907 39.893 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -1.322 -27.693 40.476 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -2.195 -26.492 40.071 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -2.137 -20.674 41.000 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -2.325 -20.686 41.969 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -1.668 -21.508 40.840 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 2.806 -25.464 36.808 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 2.595 -26.242 36.236 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 2.038 -25.405 37.415 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -4.157 -19.459 36.173 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -4.707 -19.819 36.904 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -3.270 -19.843 36.332 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -2.426 -16.624 34.446 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -2.928 -15.836 34.173 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -2.357 -16.536 35.421 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -5.654 -20.077 38.397 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -5.388 -20.728 39.079 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -5.411 -19.209 38.788 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -3.309 -15.095 31.473 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -3.252 -14.628 32.338 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -4.233 -15.424 31.446 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -10.815 -22.546 40.743 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -11.507 -22.024 40.286 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -10.976 -22.370 41.696 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -11.177 -21.866 43.400 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -11.955 -21.377 43.684 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -10.989 -22.475 44.151 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 3.987 -22.183 30.687 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 4.937 -22.399 30.812 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 3.918 -21.256 30.974 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 3.462 -15.609 29.875 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 2.739 -14.976 29.734 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 3.020 -16.384 30.281 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 0.471 -18.025 35.848 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 1.122 -18.734 36.075 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -0.231 -18.501 35.355 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -8.268 -19.714 37.650 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -8.205 -19.619 36.679 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -7.335 -19.686 37.957 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -5.074 -16.886 36.312 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -5.586 -16.726 35.489 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -4.695 -17.785 36.186 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 5.507 -10.830 27.901 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 5.202 -10.040 27.424 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 4.774 -11.052 28.486 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -7.265 -25.772 43.117 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -6.508 -26.334 42.871 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -7.930 -25.948 42.419 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -3.984 -14.876 28.822 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -3.336 -14.432 28.228 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -3.538 -14.891 29.695 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -3.418 -13.889 33.894 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -3.416 -14.045 34.869 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -3.756 -12.990 33.801 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -1.372 -23.481 37.663 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -1.801 -23.469 38.550 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -0.652 -24.134 37.758 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -4.111 -9.841 32.169 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -3.913 -8.886 32.074 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -3.279 -10.284 31.916 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -2.594 -23.518 40.137 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -3.360 -22.938 40.283 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -2.910 -24.404 40.412 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -6.273 -7.819 33.949 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -6.103 -8.699 33.599 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -6.682 -7.976 34.803 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 2.340 -19.991 35.950 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 2.588 -20.933 36.086 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 3.018 -19.657 35.330 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -6.074 -15.604 31.348 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -6.226 -16.161 30.555 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -6.356 -14.717 31.070 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -5.673 -18.131 41.612 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -5.600 -17.292 42.077 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -5.397 -17.921 40.694 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 5.750 -17.553 30.247 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 5.068 -16.914 29.966 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 5.238 -18.290 30.647 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -6.361 -23.531 39.613 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -5.651 -22.910 39.875 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -7.044 -23.421 40.324 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -5.773 -20.576 42.871 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -5.887 -19.677 42.485 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -6.641 -20.771 43.289 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -4.670 -21.561 40.534 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -5.163 -21.360 41.364 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -3.812 -21.098 40.650 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -10.508 -23.328 45.560 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -10.778 -23.881 46.299 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -9.578 -23.588 45.390 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -3.881 -25.991 40.542 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -4.350 -26.544 41.202 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -4.470 -26.001 39.761 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -3.144 -20.975 43.511 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -3.076 -21.200 44.443 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -4.108 -20.840 43.365 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -8.191 -21.452 43.880 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -8.035 -22.296 44.356 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -9.148 -21.307 43.962 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -2.742 -10.140 28.702 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -2.477 -10.562 29.545 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -3.715 -10.060 28.777 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -7.988 -14.398 28.518 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -7.571 -15.276 28.474 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -8.330 -14.246 27.607 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 4.221 -18.841 34.243 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 5.121 -18.549 33.984 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 3.757 -18.005 34.481 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 7.548 -21.602 37.385 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 7.212 -21.245 36.535 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 7.739 -20.820 37.910 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 4.048 -19.393 31.536 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 3.284 -18.817 31.344 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 4.108 -19.391 32.514 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 6.504 -20.689 34.996 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 6.625 -19.858 34.488 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 5.541 -20.809 35.027 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -10.853 -18.949 37.149 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -9.963 -19.134 37.523 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -11.238 -19.843 37.006 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 3.288 -22.554 36.052 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 4.010 -23.026 35.595 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 2.740 -23.262 36.416 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -9.064 -26.724 41.232 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -9.528 -27.342 41.844 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -8.727 -27.306 40.517 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -5.491 -27.755 42.102 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -4.892 -28.486 42.358 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -6.298 -28.202 41.821 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 5.278 -26.194 38.112 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 4.426 -25.806 37.848 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 5.918 -25.466 38.003 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 3.244 -24.955 32.548 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 2.992 -25.894 32.643 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 4.217 -24.974 32.493 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 0.570 -25.425 38.522 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -0.090 -26.099 38.810 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 0.924 -25.080 39.347 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -0.093 -9.556 28.239 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 0.270 -10.265 28.811 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -1.058 -9.590 28.406 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -7.875 -23.963 45.028 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -7.744 -24.587 44.268 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -7.143 -24.162 45.621 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 0.720 -0.553 -19.309 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 0.501 0.324 -19.643 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 1.313 -0.935 -19.997 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -2.692 -1.012 -15.606 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -2.651 -0.042 -15.740 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -3.014 -1.359 -16.471 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -2.583 1.758 -15.714 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -2.796 2.141 -16.571 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -1.906 2.374 -15.337 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -2.008 -3.625 -14.940 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -2.291 -2.689 -15.006 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -1.460 -3.764 -15.743 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 1.132 -2.583 -15.189 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.619 -3.263 -15.667 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 1.598 -2.092 -15.905 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 6.608 -6.031 -20.249 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 6.679 -7.010 -20.252 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 7.279 -5.741 -20.907 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 4.513 -6.477 -14.250 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 3.785 -7.116 -14.357 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 4.640 -6.416 -13.285 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 6.483 -0.519 -19.625 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 6.716 0.230 -19.036 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 7.199 -0.533 -20.286 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -1.137 -7.111 -16.767 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -2.053 -6.888 -16.978 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -0.638 -6.857 -17.572 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 1.721 2.944 -14.576 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 2.417 3.038 -13.885 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 2.227 2.872 -15.414 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 6.209 3.203 -13.823 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 6.506 2.465 -14.400 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 6.827 3.187 -13.081 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -1.008 -2.708 -19.198 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -0.517 -3.274 -19.834 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -0.491 -1.873 -19.175 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 0.507 -2.696 -12.504 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 0.398 -2.632 -13.478 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -0.392 -2.930 -12.177 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -0.299 -4.150 -16.986 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 0.092 -4.923 -17.426 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -0.589 -3.576 -17.727 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -3.375 -1.952 -18.047 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -4.084 -2.330 -18.574 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -2.555 -2.236 -18.507 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -0.630 -5.960 -14.279 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -0.726 -6.331 -15.178 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -1.089 -5.098 -14.327 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -1.239 -0.431 -13.410 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -1.637 -0.695 -14.264 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -1.955 -0.560 -12.765 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -6.562 0.856 -12.572 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -7.228 1.205 -13.174 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -5.712 1.172 -12.944 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 0.028 3.028 -9.505 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -0.546 3.372 -8.816 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -0.528 2.363 -9.971 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 2.472 -1.899 -20.889 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 3.201 -2.037 -20.240 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 2.913 -1.934 -21.748 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 3.732 3.093 -12.761 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 4.589 3.158 -13.250 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 3.836 3.716 -12.017 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -0.877 3.653 -14.782 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -0.809 4.579 -14.537 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 0.046 3.316 -14.702 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 2.016 1.169 -9.514 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 1.421 1.948 -9.585 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 1.465 0.419 -9.835 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -5.931 -0.803 -10.510 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -6.644 -1.452 -10.492 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -6.239 -0.124 -11.159 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 2.422 -1.487 -17.292 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 1.788 -1.091 -17.920 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 3.186 -1.731 -17.846 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -2.049 -2.991 -11.291 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -2.685 -3.471 -10.736 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -2.505 -2.157 -11.507 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -4.014 1.602 -13.383 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -3.536 1.496 -14.239 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -3.657 2.422 -13.015 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -1.275 -6.177 -7.389 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -2.189 -6.093 -7.728 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -1.128 -7.149 -7.349 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -8.621 -5.569 -7.964 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -8.294 -5.865 -8.819 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -9.510 -5.994 -7.886 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -1.508 -9.111 -14.947 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -0.668 -9.459 -14.595 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -1.234 -8.489 -15.656 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -3.844 -5.539 -14.146 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -4.578 -5.016 -13.812 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -3.181 -4.870 -14.423 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -3.415 -8.105 -13.281 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -3.597 -7.177 -13.558 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -2.713 -8.405 -13.901 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -6.590 -3.530 -7.691 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -6.496 -3.539 -6.710 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -7.360 -4.105 -7.856 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -3.083 -8.130 -10.535 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -2.616 -8.985 -10.458 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -3.322 -8.074 -11.482 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -3.747 -6.416 -8.494 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -3.863 -5.576 -8.972 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -3.545 -7.074 -9.202 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 3.854 0.673 -11.445 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 3.230 0.870 -10.706 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 3.752 1.445 -12.052 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 4.498 -2.263 -19.102 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 5.000 -2.962 -18.619 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 5.184 -1.573 -19.302 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 7.219 1.635 -18.055 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 6.588 2.359 -17.857 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 7.843 2.032 -18.699 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 1.213 0.606 -13.114 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 0.277 0.300 -13.158 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 1.221 1.426 -13.640 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 6.122 -4.245 -18.223 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 6.298 -4.945 -18.889 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 6.984 -4.077 -17.824 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 4.499 -4.403 -21.074 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 4.584 -3.698 -20.412 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 5.170 -5.063 -20.806 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 5.168 -6.919 -11.579 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 5.264 -7.879 -11.792 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 6.088 -6.572 -11.632 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 0.844 -4.117 -20.622 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 1.428 -3.331 -20.666 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 1.184 -4.702 -21.336 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 2.033 -8.309 -18.077 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 1.494 -8.947 -17.568 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 1.394 -7.632 -18.368 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 4.468 -7.963 -17.094 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 4.717 -7.055 -17.316 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 3.636 -8.117 -17.611 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 2.384 -5.418 -22.458 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 3.170 -5.084 -21.966 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 2.718 -5.601 -23.339 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 0.261 -6.288 -19.003 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 0.541 -5.479 -19.488 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 0.056 -6.934 -19.721 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -7.457 -10.596 -8.231 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -8.266 -10.170 -8.538 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -7.081 -11.016 -9.046 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 4.063 4.817 -10.611 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 3.399 4.596 -9.941 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 3.884 5.741 -10.828 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 0.000 -3.282 -0.569 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 0.907 -2.942 -0.754 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -0.549 -2.492 -0.573 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -9.599 -1.228 4.198 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -8.685 -0.910 4.231 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -9.755 -1.609 5.090 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 0.545 0.341 -1.620 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 0.624 1.240 -1.285 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -0.217 0.383 -2.242 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -8.312 -2.583 -3.067 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -8.671 -3.079 -2.310 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -8.391 -1.661 -2.805 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -9.177 -4.222 -0.934 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -9.928 -4.252 -0.300 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -9.468 -4.801 -1.676 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -6.326 -0.580 3.103 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -6.252 -0.631 4.084 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -6.190 0.350 2.905 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -10.761 -7.480 0.126 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -10.899 -6.558 0.415 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -9.967 -7.441 -0.427 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -7.711 -6.155 0.780 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -8.121 -5.294 0.610 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -7.851 -6.652 -0.049 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 2.827 -7.259 4.613 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 3.167 -7.306 5.543 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 3.532 -6.782 4.126 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -1.511 0.593 -3.441 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -2.475 0.436 -3.358 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -1.401 0.890 -4.351 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -1.431 0.853 -10.316 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -0.707 0.202 -10.467 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -2.203 0.453 -10.756 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 7.334 -1.599 1.032 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 7.894 -0.970 1.499 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 7.783 -1.718 0.158 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 0.086 -4.470 6.791 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 0.515 -5.113 7.395 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 0.697 -4.421 6.024 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -5.054 -2.046 -2.501 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -4.767 -2.836 -2.996 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -5.590 -2.408 -1.768 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -6.167 -3.050 1.998 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -5.279 -3.390 2.238 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -6.163 -2.114 2.313 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -7.529 -3.147 6.486 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -7.414 -3.669 5.663 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -8.496 -2.973 6.525 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -6.652 -3.734 -4.951 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -5.848 -3.980 -4.445 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -7.203 -3.235 -4.303 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -0.003 -2.669 8.912 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -0.588 -1.958 8.643 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -0.025 -3.296 8.157 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 0.572 -10.028 7.255 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 0.811 -9.832 6.318 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -0.331 -9.655 7.351 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -6.029 -6.426 2.874 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -6.615 -6.397 2.083 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -5.298 -5.806 2.654 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -8.354 -7.461 -1.563 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -8.937 -6.956 -2.176 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -7.476 -7.458 -2.015 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -10.089 -3.816 3.253 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -9.180 -4.077 3.522 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -10.102 -2.844 3.378 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -4.927 -7.114 -5.389 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -5.190 -7.985 -5.735 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -4.521 -6.670 -6.153 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -8.355 -10.229 -1.438 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -8.514 -9.296 -1.680 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -9.128 -10.706 -1.793 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -8.320 -8.700 -4.963 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -8.182 -7.728 -4.977 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -9.270 -8.810 -5.207 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 1.812 -4.668 4.700 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 2.044 -5.615 4.737 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 2.588 -4.251 4.308 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -8.307 -5.929 -5.218 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -7.645 -5.232 -5.018 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -8.458 -5.839 -6.182 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -5.845 -7.414 -2.733 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -5.148 -8.068 -2.518 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -5.669 -7.180 -3.672 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -4.396 -4.552 -3.563 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -4.225 -4.875 -2.655 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -4.125 -5.291 -4.133 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -4.588 -5.518 -0.965 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -5.214 -4.791 -0.755 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -5.141 -6.188 -1.405 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -3.938 -4.645 2.443 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -3.434 -4.716 1.625 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -3.260 -4.746 3.155 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -3.152 -0.161 -6.265 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -3.841 -0.526 -6.868 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -3.614 -0.057 -5.409 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -6.461 -3.545 -0.640 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -7.413 -3.689 -0.802 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -6.412 -3.324 0.319 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -0.851 0.420 -7.583 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -1.088 0.574 -8.516 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -1.712 0.242 -7.143 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -10.205 -2.745 6.466 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -10.506 -3.628 6.158 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -10.829 -2.522 7.192 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 2.249 -1.849 -1.152 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 3.074 -1.749 -0.628 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 1.863 -0.948 -1.173 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -4.219 0.206 -3.741 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -4.891 0.858 -3.512 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -4.522 -0.621 -3.288 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 0.552 -0.995 -10.369 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 0.477 -1.496 -11.208 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 0.914 -1.650 -9.734 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 2.015 1.284 -6.749 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 1.785 2.216 -6.734 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 2.120 1.079 -7.701 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -2.051 -5.197 4.377 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -1.375 -4.775 4.930 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -2.461 -5.862 4.971 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 1.123 -9.367 4.662 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 1.610 -9.970 4.067 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 1.705 -8.580 4.731 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 2.723 -6.979 -0.801 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 3.636 -6.626 -0.800 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 2.724 -7.641 -0.079 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -3.440 -0.546 -11.735 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -4.246 -0.754 -11.215 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -3.733 0.158 -12.355 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -7.905 -4.267 9.025 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -7.657 -3.979 8.123 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -7.906 -3.455 9.540 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -5.010 -1.243 -7.958 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -5.285 -0.891 -8.830 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -5.674 -1.932 -7.759 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -6.314 -0.785 5.810 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -6.657 -1.659 6.106 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -5.836 -0.448 6.575 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -4.142 -3.702 -9.248 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -5.017 -3.834 -8.832 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -3.829 -2.865 -8.871 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -7.515 -4.364 3.993 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -7.114 -3.778 3.314 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -7.086 -5.230 3.838 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -4.918 -8.437 4.442 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -5.378 -7.774 3.882 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -4.336 -7.898 5.021 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 1.520 -6.000 8.651 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 1.194 -6.846 9.039 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 1.562 -5.389 9.415 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -8.074 -6.833 9.961 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -8.853 -7.061 9.430 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -7.869 -5.908 9.695 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -3.448 -10.378 3.043 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -3.722 -9.688 3.677 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -4.246 -10.933 2.944 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -4.364 -7.730 8.639 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -4.697 -7.379 9.490 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -4.876 -8.553 8.506 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -3.205 -7.123 6.127 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -2.543 -7.787 6.400 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -3.722 -6.958 6.943 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -9.488 -10.185 8.783 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -10.385 -10.429 8.450 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -8.882 -10.768 8.282 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -3.112 -11.575 8.002 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -2.577 -12.283 8.420 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -3.023 -11.738 7.055 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -1.961 -9.040 7.809 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -2.308 -9.930 8.011 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -2.548 -8.439 8.309 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 3.490 -3.766 -3.440 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 3.799 -4.509 -3.982 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 4.180 -3.677 -2.748 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 4.614 -1.989 0.389 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 5.432 -1.503 0.605 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 4.639 -2.764 0.977 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 6.385 0.648 -10.411 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 5.470 0.586 -10.754 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 6.585 1.610 -10.450 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -12.038 -0.220 3.394 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -12.048 0.693 3.696 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -11.130 -0.533 3.601 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 4.165 -5.698 2.843 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 4.689 -6.477 2.557 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 4.725 -4.931 2.592 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 6.048 -3.935 1.884 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 6.582 -3.129 1.716 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 6.645 -4.673 1.637 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -10.536 -7.645 8.602 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -10.076 -8.503 8.733 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -11.445 -7.808 8.946 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 3.631 -7.112 7.183 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 4.323 -7.371 7.826 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 2.944 -6.677 7.733 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 6.079 -9.236 5.972 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 5.293 -9.818 5.875 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 5.814 -8.592 6.643 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -10.776 -7.211 -7.631 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -11.732 -7.166 -7.438 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -10.478 -7.994 -7.141 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 6.492 -12.286 2.670 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 6.132 -12.733 1.882 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 5.940 -12.635 3.417 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -8.557 -11.456 -4.701 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -8.442 -10.488 -4.782 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -9.521 -11.571 -4.564 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -6.016 -9.724 -6.043 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -6.422 -9.949 -6.910 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -6.761 -9.348 -5.524 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -6.656 -9.994 5.990 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -6.037 -9.501 5.411 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -6.227 -9.972 6.872 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 7.124 -10.165 16.292 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 7.049 -10.963 15.716 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 8.051 -9.912 16.220 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 2.119 -7.160 18.919 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 2.505 -6.509 19.537 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 2.609 -7.016 18.081 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -3.598 -10.110 20.577 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -3.577 -9.301 20.021 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -2.769 -10.579 20.351 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 4.528 -5.317 13.167 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 4.631 -5.304 14.138 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 3.660 -4.879 13.019 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 6.909 -7.138 24.655 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 7.258 -7.976 24.336 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 7.151 -6.496 23.955 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -7.656 -9.485 21.194 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -8.526 -9.175 21.540 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -7.018 -8.814 21.509 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -5.274 -8.150 21.796 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -5.042 -7.725 20.947 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -4.697 -8.932 21.831 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -2.982 -7.077 12.227 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -3.868 -7.021 11.813 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -2.548 -7.829 11.759 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -0.570 -3.699 24.884 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -0.843 -3.571 25.818 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -0.842 -4.621 24.680 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 2.737 -5.586 25.590 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 3.632 -5.852 25.892 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 2.354 -5.138 26.357 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -5.939 -11.572 20.770 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -5.069 -11.114 20.764 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -6.589 -10.846 20.899 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -1.633 -8.992 10.859 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -1.015 -9.621 11.289 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -1.096 -8.576 10.165 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -3.852 -3.847 21.678 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -4.562 -4.122 22.283 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -3.303 -3.233 22.215 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -4.086 -7.701 19.260 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -3.525 -6.936 19.533 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -4.209 -7.573 18.312 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -2.731 -3.925 15.258 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -2.484 -3.962 16.203 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -3.105 -4.808 15.075 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -3.932 -4.912 28.281 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -3.263 -5.163 28.968 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -4.780 -5.152 28.683 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 3.340 -7.016 16.488 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 3.771 -6.174 16.233 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 2.598 -7.109 15.845 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -5.587 -7.162 11.148 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -5.746 -7.083 12.118 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -6.479 -7.072 10.752 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -10.909 -10.321 17.380 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -10.269 -10.485 18.104 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -11.758 -10.175 17.842 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -0.718 -6.410 21.466 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 0.043 -5.830 21.328 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -1.427 -6.022 20.904 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -0.365 -8.136 19.255 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -0.644 -7.800 20.126 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 0.574 -7.855 19.181 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -10.539 -10.536 14.688 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -11.081 -9.761 14.423 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -10.574 -10.521 15.674 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -3.232 -6.674 14.974 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -2.411 -6.893 15.455 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -3.030 -6.900 14.037 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 2.166 -8.720 22.540 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 2.764 -9.356 22.990 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 2.624 -8.526 21.700 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -1.428 -4.474 17.640 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -0.573 -4.041 17.729 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -1.208 -5.377 17.305 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -8.705 -12.491 13.984 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -9.322 -11.758 14.213 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -9.164 -12.974 13.276 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -2.698 -5.444 19.879 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -2.383 -4.914 19.116 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -3.143 -4.782 20.467 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -0.644 -6.020 13.330 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -0.655 -5.046 13.303 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -1.433 -6.284 12.814 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 1.296 -7.261 14.725 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 1.742 -7.743 13.998 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 0.584 -6.751 14.267 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 2.094 -4.015 13.304 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 1.958 -4.013 12.329 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 1.209 -3.799 13.664 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -0.823 -6.949 16.736 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -0.083 -7.235 16.167 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -0.731 -7.500 17.545 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -1.134 -6.265 24.127 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -0.264 -6.652 24.372 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -1.147 -6.318 23.144 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -5.812 -6.821 13.862 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -4.961 -6.808 14.343 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -6.444 -6.461 14.490 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 3.582 -3.700 18.438 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 3.266 -4.246 19.194 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 3.759 -2.837 18.829 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -9.588 -8.921 11.194 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -9.417 -9.485 10.408 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -8.875 -8.255 11.166 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -5.223 -6.831 24.276 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -5.497 -5.942 23.974 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -5.259 -7.378 23.465 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -6.102 -4.373 23.309 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -6.847 -4.292 22.702 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -6.205 -3.627 23.914 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -2.376 -2.278 23.362 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -1.723 -2.795 23.880 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -2.151 -1.362 23.547 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -2.124 -5.606 30.133 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -1.188 -5.889 30.205 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -2.595 -6.174 30.776 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -1.605 -3.680 27.468 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -1.390 -3.260 28.311 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -2.534 -3.979 27.579 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -0.539 -6.249 27.373 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -0.161 -6.321 28.272 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -0.901 -5.344 27.339 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -5.346 -10.240 29.728 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -5.670 -11.165 29.643 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -5.094 -10.162 30.672 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -0.524 -3.258 13.872 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -0.723 -2.415 13.452 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -1.338 -3.464 14.394 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 3.891 -4.459 15.759 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 3.206 -4.077 15.182 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 3.737 -4.035 16.632 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 2.501 -4.907 31.110 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 3.032 -4.331 31.664 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 3.126 -5.215 30.412 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 0.837 -8.476 9.544 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 0.869 -9.169 10.246 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 0.815 -8.984 8.708 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 2.226 -8.318 12.378 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 1.816 -9.203 12.185 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 1.635 -7.688 11.940 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 2.945 -5.148 20.723 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 3.775 -5.575 21.035 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 2.473 -4.910 21.554 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 1.674 -4.623 23.157 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 0.944 -4.127 23.570 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 2.185 -4.968 23.917 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 6.079 -11.960 23.708 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 5.846 -12.866 23.453 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 6.420 -12.052 24.626 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -9.195 -10.936 19.449 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -9.837 -11.292 20.102 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -8.626 -10.340 19.977 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 5.082 -6.622 26.656 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 4.722 -7.529 26.613 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 5.846 -6.640 26.039 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 1.701 -4.004 10.594 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 1.075 -3.440 10.082 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 2.592 -3.717 10.285 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -12.480 -8.779 13.854 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -12.213 -8.035 13.274 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -13.217 -9.205 13.374 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -11.531 -12.443 23.863 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -12.194 -13.132 23.643 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -11.998 -11.864 24.503 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 3.853 -10.382 23.790 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 3.445 -10.915 24.502 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 4.682 -10.859 23.583 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -11.663 -7.178 11.714 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -12.276 -7.438 10.996 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -10.882 -7.755 11.580 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -5.474 -10.258 8.497 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -5.882 -10.572 9.314 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -4.621 -10.747 8.448 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -5.920 -12.937 29.531 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -6.781 -13.269 29.194 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -5.264 -13.541 29.140 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -4.022 -7.143 31.532 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -4.518 -7.219 30.685 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -4.678 -6.808 32.162 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 2.770 -11.325 31.630 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 2.879 -10.463 32.048 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 3.459 -11.871 32.024 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -5.290 -7.525 29.128 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -4.911 -7.521 28.229 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -5.547 -8.460 29.275 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -3.978 -7.141 26.684 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -4.471 -6.981 25.842 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -3.893 -6.251 27.086 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 2.184 -8.003 28.285 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 2.698 -8.266 27.497 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 1.352 -8.524 28.212 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 0.541 -6.363 29.909 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 1.101 -5.775 30.467 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 1.177 -6.989 29.513 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 3.932 -6.026 29.104 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 3.332 -6.772 28.910 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 4.573 -6.039 28.365 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 3.874 -9.067 26.287 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 3.355 -9.899 26.382 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 4.060 -9.018 25.330 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 7.339 -28.709 7.014 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 6.964 -29.590 7.210 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 6.900 -28.448 6.183 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 5.560 -27.804 5.065 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 4.849 -27.940 4.395 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 5.071 -27.637 5.899 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 11.201 -32.689 26.428 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 11.583 -33.479 26.822 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 10.708 -33.025 25.639 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 4.229 -33.833 18.805 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 3.376 -33.480 18.478 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 4.891 -33.368 18.285 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 10.520 -25.295 14.835 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 10.972 -26.150 14.977 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 9.853 -25.258 15.556 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 9.740 -33.365 24.259 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 8.864 -33.753 24.181 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 9.832 -32.817 23.451 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 12.937 -28.171 19.572 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 12.205 -28.161 18.938 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 12.855 -27.319 20.038 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 9.063 -27.820 22.648 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 9.934 -27.401 22.813 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 9.121 -28.137 21.717 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 9.266 -28.413 13.537 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 9.947 -28.310 14.227 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 9.410 -27.648 12.945 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 5.007 -27.859 27.119 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 5.819 -27.313 27.133 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 5.344 -28.782 27.161 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 8.932 -31.063 26.776 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 9.714 -31.632 26.893 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 9.032 -30.705 25.869 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 3.820 -30.770 17.824 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 4.008 -30.414 18.705 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 3.084 -31.398 17.969 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 9.444 -30.027 24.287 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 9.219 -29.190 23.836 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 9.519 -30.679 23.556 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 9.785 -31.650 22.089 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 9.391 -31.165 21.354 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 10.596 -32.063 21.697 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 11.995 -32.712 20.974 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 12.573 -31.933 20.789 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 12.558 -33.469 20.794 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 6.242 -28.042 22.544 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 5.807 -27.513 23.249 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 7.183 -28.062 22.803 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 9.107 -28.723 19.986 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 9.698 -28.223 19.388 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 8.392 -29.024 19.413 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 11.157 -27.893 15.608 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 10.882 -27.739 16.534 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 11.985 -28.381 15.686 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 5.850 -29.315 10.597 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 5.620 -29.606 11.502 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 5.951 -30.153 10.100 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 8.234 -33.328 9.689 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 8.865 -33.805 9.142 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 8.769 -32.946 10.393 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 2.587 -27.633 32.542 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 2.829 -28.539 32.245 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 1.611 -27.606 32.441 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 6.696 -26.600 34.292 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 7.514 -26.305 34.745 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 6.320 -27.286 34.900 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 6.468 -30.150 27.461 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 6.049 -30.938 27.821 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 7.380 -30.450 27.229 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 6.730 -11.406 -10.632 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 5.770 -11.548 -10.707 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 7.028 -12.111 -10.047 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 6.968 -8.745 -20.578 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 6.348 -9.251 -21.113 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 7.120 -9.308 -19.788 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 7.560 -10.527 -18.540 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 7.713 -11.439 -18.812 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 8.455 -10.202 -18.274 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 6.710 -8.069 -14.784 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 5.988 -7.409 -14.862 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 6.471 -8.763 -15.433 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 5.334 -11.730 -13.954 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 5.309 -11.175 -14.759 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 5.993 -12.404 -14.152 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 10.112 -9.881 -17.856 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 10.271 -9.625 -16.915 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 10.920 -10.344 -18.114 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 6.282 -17.131 3.377 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 6.533 -17.870 3.960 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 6.298 -16.348 3.961 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 3.765 -23.142 -1.023 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 4.604 -22.897 -1.453 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 3.890 -22.889 -0.093 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 5.720 -20.253 0.090 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 6.654 -20.538 0.179 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 5.226 -20.878 0.656 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 5.926 -21.824 -2.208 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 5.771 -21.113 -1.550 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 5.535 -21.484 -3.021 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 8.037 -21.653 -0.414 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 8.926 -21.980 -0.577 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 7.533 -21.914 -1.208 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 8.743 -25.096 4.240 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 9.545 -24.990 3.668 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 8.167 -25.714 3.731 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 12.817 -18.353 3.101 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 11.936 -17.920 2.997 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 13.446 -17.633 2.994 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 7.181 -19.236 5.122 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 7.219 -18.437 5.698 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 8.128 -19.421 4.908 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 10.340 -17.259 2.957 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 9.875 -16.477 3.312 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 9.633 -17.887 2.765 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 13.301 -21.031 2.954 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 14.012 -21.033 2.307 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 13.062 -20.078 3.044 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 7.810 -13.636 7.173 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 7.272 -13.971 6.422 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 8.101 -12.764 6.884 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 6.056 -12.581 -1.398 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 6.954 -12.213 -1.311 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 6.036 -13.305 -0.735 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 8.946 -15.202 4.267 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 9.323 -15.423 5.128 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 7.993 -15.032 4.459 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 9.826 -19.643 4.786 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 10.008 -20.164 5.596 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 10.699 -19.376 4.474 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 5.951 -26.674 0.458 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 6.384 -25.886 0.121 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 6.328 -26.794 1.350 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 0.730 -24.097 -4.652 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 0.982 -23.816 -3.744 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 1.393 -24.751 -4.888 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 7.582 -13.935 9.921 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 8.410 -14.419 10.138 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 7.596 -13.866 8.941 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 5.217 -17.052 0.849 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 5.552 -17.120 1.774 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 5.344 -17.945 0.485 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 11.425 -19.840 9.172 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 11.091 -20.100 8.287 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 10.631 -19.872 9.744 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 11.020 -24.701 2.906 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 11.504 -24.053 3.457 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 11.662 -24.978 2.247 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 7.033 -10.616 -3.549 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 6.567 -11.457 -3.482 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 6.845 -10.307 -4.466 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 2.823 -11.442 8.162 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 1.939 -11.141 7.855 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 3.123 -10.731 8.742 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 7.342 -16.919 6.531 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 7.475 -16.652 7.449 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 6.920 -16.136 6.110 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 10.675 -17.703 11.217 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 9.990 -18.411 11.164 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 11.372 -18.008 10.616 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 10.050 -21.103 7.127 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 10.056 -22.022 6.786 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 9.295 -21.088 7.751 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 10.885 -24.449 10.444 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 11.578 -23.794 10.228 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 10.227 -24.347 9.725 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 10.065 -23.704 6.193 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 10.848 -23.420 5.674 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 9.527 -24.209 5.549 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 12.156 -22.795 4.641 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 12.417 -22.130 3.957 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 12.829 -22.702 5.325 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 7.995 -21.511 8.960 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 8.111 -22.484 8.882 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 7.203 -21.316 8.402 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 8.882 -24.097 8.625 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 9.316 -24.044 7.743 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 8.537 -25.018 8.669 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 3.259 -12.746 -1.239 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 4.226 -12.725 -1.389 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 3.103 -13.613 -0.821 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 6.624 -26.266 3.119 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 5.817 -25.743 2.911 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 6.324 -26.901 3.812 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 5.061 -26.872 9.851 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 5.304 -27.827 9.930 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 5.799 -26.404 10.293 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 3.629 -13.832 9.610 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 3.050 -14.470 9.163 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 3.452 -12.988 9.145 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 8.736 -13.654 1.913 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 8.093 -13.052 2.346 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 9.042 -14.234 2.639 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 7.142 -9.678 3.477 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 6.925 -10.607 3.237 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 6.830 -9.590 4.409 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 8.933 -7.824 2.605 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 8.306 -8.527 2.893 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 9.756 -8.051 3.045 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 3.079 -13.864 2.613 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 2.713 -14.700 2.927 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 3.783 -13.648 3.266 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 6.357 -14.384 0.633 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 7.266 -14.396 0.990 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 6.075 -15.319 0.663 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 6.285 -9.771 -6.046 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 5.335 -9.754 -6.294 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 6.732 -9.343 -6.800 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 9.628 -25.945 12.334 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 9.980 -25.594 13.182 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 10.190 -25.519 11.646 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 7.782 -26.586 8.629 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 7.660 -26.900 9.540 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 7.699 -27.406 8.078 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 10.438 -20.639 22.410 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 10.318 -21.078 21.546 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 9.646 -20.064 22.498 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 8.327 -18.934 21.900 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 8.813 -18.177 21.507 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 7.536 -18.523 22.304 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 8.530 -17.384 18.366 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 9.183 -17.819 17.792 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 9.027 -17.187 19.190 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 8.810 -25.461 16.950 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 8.274 -24.663 17.174 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 8.141 -26.182 16.854 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 10.240 -21.778 19.805 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 10.043 -21.735 18.839 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 9.554 -22.380 20.162 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 13.313 -16.924 23.471 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 12.804 -17.398 22.774 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 13.867 -16.311 22.982 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 9.273 -17.137 24.371 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 9.626 -17.011 25.277 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 9.519 -16.328 23.907 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 13.639 -30.627 20.538 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 14.241 -30.381 21.262 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 13.405 -29.768 20.118 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 10.284 -16.834 13.888 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 10.312 -17.272 13.011 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 10.881 -16.084 13.793 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 12.194 -23.279 21.296 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 11.734 -22.689 20.669 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 13.151 -23.091 21.150 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 11.840 -18.290 21.628 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 11.486 -19.063 22.112 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 11.821 -18.572 20.683 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 9.746 -13.293 24.868 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 10.100 -12.439 24.607 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 9.582 -13.755 24.020 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 9.257 -19.996 10.838 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 9.515 -20.728 11.439 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 8.604 -20.410 10.226 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 6.148 -18.196 19.577 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 6.936 -17.868 19.085 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 6.263 -19.169 19.583 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 4.544 -15.899 19.193 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 3.628 -16.204 19.257 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 5.079 -16.722 19.264 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 7.282 -12.437 14.752 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 7.647 -13.330 14.930 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 7.298 -12.364 13.779 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 5.847 -17.827 22.312 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 4.929 -18.060 22.502 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 5.926 -17.936 21.338 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 13.443 -28.547 23.812 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 13.016 -29.311 24.258 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 14.159 -28.950 23.281 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 12.029 -22.279 23.928 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 11.448 -21.569 23.570 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 12.240 -22.823 23.144 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 7.360 -23.233 17.587 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 6.409 -23.022 17.543 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 7.799 -22.371 17.535 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 14.719 -23.679 28.905 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 14.715 -24.396 28.223 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 15.642 -23.402 28.948 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 10.378 -22.517 14.761 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 10.523 -23.485 14.788 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 10.337 -22.309 13.805 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 11.715 -25.916 20.574 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 11.918 -24.967 20.705 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 11.596 -26.258 21.486 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 9.866 -21.204 17.088 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 9.918 -20.305 16.729 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 10.042 -21.782 16.307 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 10.400 -22.215 12.012 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 10.119 -23.092 11.694 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 11.271 -22.082 11.592 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 7.145 -27.587 16.792 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 6.393 -27.743 17.379 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 6.985 -28.185 16.024 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 11.622 -26.649 23.207 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 12.252 -27.397 23.343 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 11.930 -25.967 23.839 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 11.264 -19.249 19.152 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 10.960 -20.140 19.412 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.988 -19.166 18.229 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 12.639 -21.831 28.965 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 12.424 -21.550 28.053 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 13.358 -22.488 28.849 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 9.671 -16.770 20.833 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 9.564 -15.954 21.364 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 10.539 -17.126 21.116 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 6.067 -20.789 7.177 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 6.505 -20.212 6.525 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 5.166 -20.928 6.803 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 8.376 -13.577 19.966 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 7.791 -12.922 19.533 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 8.413 -14.308 19.342 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 6.501 -15.236 22.950 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 6.368 -16.196 22.796 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 6.023 -15.062 23.797 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 10.500 -18.424 16.371 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 10.116 -18.090 15.535 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 11.447 -18.266 16.273 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 8.227 -15.105 14.994 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 8.118 -15.541 15.848 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 8.823 -15.695 14.497 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 14.903 -22.911 21.228 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 15.614 -22.792 20.589 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 15.351 -22.928 22.081 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 6.846 -29.066 14.532 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 6.432 -29.761 13.982 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 7.731 -28.925 14.116 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 7.032 -12.287 11.993 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 7.284 -11.414 11.667 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 7.315 -12.905 11.272 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 2.820 -11.557 26.043 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 3.218 -12.260 26.604 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 2.075 -12.011 25.586 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 9.965 -15.092 10.589 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 10.837 -14.779 10.331 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 10.110 -16.028 10.838 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 12.636 -18.084 25.826 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 12.822 -17.631 24.967 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 13.439 -17.942 26.347 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 12.505 -22.189 10.131 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 12.205 -21.348 9.717 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 13.466 -22.144 10.085 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 12.411 -20.799 26.329 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 12.360 -21.352 25.523 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 12.329 -19.881 25.993 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 15.487 -29.889 22.464 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 16.168 -29.656 21.819 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 15.958 -30.391 23.139 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 14.765 -25.633 27.001 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 14.404 -26.525 27.142 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 14.305 -25.317 26.204 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 12.705 -24.821 25.181 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 12.531 -23.876 25.015 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 12.284 -24.998 26.052 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 11.950 -30.230 25.436 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 11.859 -31.111 25.860 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 11.065 -30.063 25.047 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 13.077 -27.907 26.497 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 13.402 -27.790 25.584 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 12.645 -28.785 26.478 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.186 -20.795 20.282 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 7.425 -21.671 20.621 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 7.669 -20.173 20.866 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 5.157 -14.530 25.178 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 4.357 -14.574 25.720 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 5.738 -13.901 25.662 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 5.843 -11.119 21.052 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 5.570 -12.048 20.868 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 6.124 -11.140 21.985 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 4.889 -13.714 17.442 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 4.874 -14.524 17.995 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 5.610 -13.170 17.833 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 5.401 -13.827 20.854 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 5.889 -14.307 21.555 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 5.066 -14.535 20.271 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 10.613 -27.055 18.288 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 10.009 -26.422 17.833 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 10.984 -26.533 19.038 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 7.066 -26.156 11.497 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 6.677 -26.474 12.321 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 8.015 -26.010 11.723 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 7.578 -26.950 27.350 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 8.243 -26.579 27.970 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 7.760 -27.901 27.350 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 5.635 -7.932 8.887 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 6.490 -8.339 9.049 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 5.287 -7.733 9.791 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 10.664 -21.068 33.890 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 11.295 -20.702 34.514 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 11.209 -21.298 33.103 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 6.762 -18.572 33.207 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 7.149 -17.701 32.963 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 7.013 -19.153 32.475 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 12.182 -21.851 31.747 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 12.608 -22.726 31.806 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.225 -21.633 30.795 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 8.210 -22.028 33.299 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 9.080 -21.611 33.510 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.599 -21.657 33.973 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 13.135 -24.364 31.052 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 13.671 -24.124 30.262 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 13.548 -25.168 31.381 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 11.709 -25.819 27.584 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 10.983 -26.122 28.161 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 12.154 -26.649 27.301 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 7.084 -24.253 37.073 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 6.335 -24.155 36.448 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 7.301 -23.328 37.335 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 6.560 -22.899 31.218 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 6.344 -23.791 31.555 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 7.152 -22.523 31.897 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 9.289 -24.538 32.988 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 9.323 -24.880 33.909 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 8.888 -23.645 33.082 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 10.419 -24.034 30.506 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 10.071 -24.185 31.413 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 11.395 -24.077 30.615 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 9.188 -14.418 27.321 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 9.534 -15.324 27.179 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 9.435 -13.940 26.496 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 10.365 -16.943 26.886 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 10.321 -17.183 27.835 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 11.196 -17.365 26.570 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 8.135 -18.973 29.863 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 7.308 -18.450 29.919 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 8.848 -18.298 29.882 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 8.350 -26.759 31.681 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 8.708 -25.960 32.131 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 8.036 -27.316 32.407 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 9.251 -14.670 30.098 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 9.122 -14.530 29.131 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.508 -13.801 30.429 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 8.315 -19.648 25.052 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 8.736 -18.809 24.756 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 7.425 -19.602 24.691 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 10.253 -17.215 29.650 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 10.006 -16.310 29.941 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 11.133 -17.355 30.026 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 13.340 -19.117 28.553 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 13.032 -19.533 27.737 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 13.289 -19.824 29.209 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 7.680 -16.377 31.807 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 6.993 -16.626 31.156 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 8.234 -15.729 31.335 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 8.918 -25.553 35.535 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 9.530 -25.982 36.144 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 8.324 -25.027 36.124 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 5.899 -25.463 31.986 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 6.587 -25.866 31.430 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 6.068 -25.839 32.879 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 9.467 -26.211 29.221 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 9.043 -26.664 29.983 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 9.850 -25.398 29.615 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 7.141 4.673 -19.732 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 7.141 5.129 -20.579 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 7.894 4.047 -19.796 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 8.373 -5.264 -22.215 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 8.181 -5.060 -23.138 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.172 -4.721 -22.008 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 6.879 1.049 -15.367 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.587 0.499 -14.954 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 7.154 1.130 -16.306 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 12.287 -7.313 -16.867 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 11.683 -7.284 -17.634 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 12.949 -6.623 -17.060 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 11.793 -2.070 -18.652 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 12.593 -2.154 -18.100 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 11.508 -2.992 -18.798 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 8.943 1.749 -22.510 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 9.075 1.751 -23.462 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.863 0.800 -22.279 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 10.245 0.115 -19.121 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 10.909 -0.610 -19.029 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 9.836 0.167 -18.248 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 8.181 -1.122 -11.490 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 7.485 -0.512 -11.161 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 8.870 -1.091 -10.795 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 4.167 0.588 -15.005 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 5.134 0.723 -15.103 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 3.774 1.275 -15.577 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 3.334 2.576 -16.810 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 3.069 2.214 -17.662 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 4.120 3.130 -17.019 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 5.652 3.885 -17.579 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 6.057 4.284 -18.387 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 5.980 4.434 -16.855 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 12.502 -10.310 -13.636 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 13.439 -10.157 -13.473 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 12.257 -10.990 -13.000 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 14.243 -2.526 -17.392 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 14.803 -1.918 -17.890 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 14.542 -2.416 -16.458 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 8.856 -0.760 -21.321 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.389 -0.419 -20.568 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 9.194 -1.657 -21.462 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 11.470 -4.815 -19.144 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 10.960 -5.645 -19.006 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 12.352 -5.015 -18.765 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 15.398 -2.082 -14.970 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 15.044 -1.488 -14.298 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 16.237 -2.382 -14.606 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 10.432 -7.351 -18.927 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 10.161 -7.384 -19.876 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 10.169 -8.226 -18.578 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 13.911 -5.245 -17.847 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 14.023 -4.297 -17.613 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 14.807 -5.550 -18.032 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 8.974 2.611 -19.950 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 8.912 2.440 -20.920 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 9.697 2.030 -19.655 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 10.827 -9.042 -15.351 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 11.441 -9.538 -14.760 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 11.403 -8.365 -15.781 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 6.424 3.366 -10.686 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 7.021 3.911 -10.165 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 5.587 3.875 -10.701 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 7.861 -3.866 -10.617 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 7.797 -4.629 -11.225 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 7.853 -3.086 -11.201 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 8.658 -0.622 -14.183 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 8.592 -0.727 -13.212 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 8.556 -1.528 -14.525 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 7.847 -6.421 -11.736 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 8.340 -6.861 -12.461 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 8.036 -6.975 -10.959 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 8.999 -8.297 -13.387 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 8.228 -8.197 -13.991 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 9.734 -8.552 -13.984 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 9.726 -3.788 -8.691 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 10.191 -4.616 -8.852 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 8.947 -3.827 -9.305 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 8.290 -9.086 -10.763 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 7.739 -9.899 -10.831 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 8.644 -8.961 -11.668 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 10.497 -3.753 -21.484 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 11.305 -3.643 -21.994 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 10.808 -4.078 -20.608 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 2.828 -8.568 -14.930 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 3.479 -8.392 -15.642 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 2.075 -8.979 -15.397 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 9.352 -7.605 -21.362 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 8.555 -8.161 -21.291 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 9.016 -6.749 -21.698 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 5.649 -9.350 -12.577 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 5.870 -10.294 -12.700 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 6.148 -8.895 -13.285 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 5.502 -3.636 -1.663 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 5.290 -2.940 -1.009 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 6.474 -3.732 -1.610 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 8.606 -2.032 -1.318 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 8.557 -3.007 -1.390 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 9.013 -1.755 -2.166 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 7.511 -6.134 1.024 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 8.072 -6.566 1.712 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 8.033 -6.238 0.197 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 9.087 -7.025 -1.012 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.661 -7.906 -1.157 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.974 -7.242 -0.698 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 9.722 -1.906 -3.858 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 10.565 -1.527 -4.117 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 9.321 -2.197 -4.701 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 8.063 -4.641 -1.870 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 7.894 -4.648 -2.837 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 8.531 -5.486 -1.701 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 8.012 -9.481 -1.312 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 7.698 -9.816 -2.185 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 8.224 -10.294 -0.810 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 7.408 -0.857 -8.101 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 8.291 -0.799 -8.512 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 6.841 -0.324 -8.683 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 8.661 -2.660 -6.342 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 8.072 -1.992 -6.760 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 9.084 -3.110 -7.102 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 5.627 -7.899 2.093 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 6.150 -8.552 2.616 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 6.303 -7.391 1.604 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 9.877 -1.105 -9.295 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 10.779 -0.765 -9.279 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 9.969 -2.048 -9.036 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 3.106 -8.623 1.427 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 4.030 -8.371 1.649 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 2.943 -9.426 1.969 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 5.420 -6.291 -0.818 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 5.383 -5.464 -1.342 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 6.126 -6.126 -0.165 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 5.219 -5.929 -4.215 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 4.727 -5.908 -5.053 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 5.995 -5.354 -4.375 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 2.889 -10.831 3.096 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 3.414 -10.835 3.926 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 2.918 -11.755 2.791 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 8.675 -12.078 -0.434 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.728 -12.582 0.406 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 9.484 -12.317 -0.902 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 7.194 -4.026 -4.420 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 6.751 -3.240 -4.072 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 7.740 -3.684 -5.161 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 7.402 -8.367 -8.257 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 7.660 -8.727 -9.135 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 8.238 -8.127 -7.846 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 4.037 -11.005 5.656 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 4.397 -11.865 5.323 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 3.597 -11.241 6.498 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 4.703 -7.489 11.396 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 4.778 -6.727 12.004 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 3.843 -7.891 11.627 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 9.667 -4.862 17.550 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 10.147 -4.194 17.055 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 9.419 -5.528 16.879 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 5.948 -5.552 18.652 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 5.295 -4.980 18.217 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 6.205 -6.202 17.952 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 8.352 -5.159 19.946 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 7.505 -5.216 19.461 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 9.018 -5.013 19.240 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 9.092 -14.563 22.433 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 8.988 -14.050 21.597 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 8.168 -14.789 22.687 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 4.249 -3.474 9.848 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 4.744 -2.885 9.268 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 4.874 -4.173 10.069 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 6.783 -7.273 16.715 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 7.626 -7.068 16.262 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 6.684 -8.234 16.609 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 9.288 -6.780 15.555 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 9.196 -6.517 14.606 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 10.139 -7.229 15.593 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 9.207 -6.075 12.935 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 9.712 -5.970 12.125 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 8.415 -5.504 12.800 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 6.679 -11.854 18.491 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 6.414 -11.353 19.292 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 6.792 -11.165 17.804 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 6.779 -12.675 26.312 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 6.431 -12.025 26.967 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 7.555 -13.064 26.750 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 7.710 -5.499 22.567 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 8.126 -4.739 22.989 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 8.031 -5.456 21.630 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 5.388 -6.309 21.219 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 5.696 -6.052 20.321 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 6.132 -6.065 21.806 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 4.201 -8.704 20.659 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 4.862 -9.408 20.794 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 4.686 -7.876 20.860 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 3.936 -10.209 13.814 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 3.379 -10.735 13.189 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 3.771 -9.292 13.550 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 7.063 -4.432 12.514 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 6.181 -4.829 12.682 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 6.937 -3.495 12.694 1.00 0.00 WAT1 END