REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1246.06, 62.154, 81.779, 41.5382, 396.314, -364.305, -1466.54, 2.75034, 0.246124 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.698996E-03,0.463249,1.26821,42.5761,4.758769E-03,0.204079 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 23, 10 REMARK =============================================================== REMARK DATE:17-Dec-2009 14:33:02 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -7.400 0.210 -17.782 1.00 43.21 ATOM 2 CB MET 1 -6.410 1.049 -19.489 1.00 12.43 ATOM 3 HB1 MET 1 -7.352 1.270 -19.970 1.00 36.85 ATOM 4 HB2 MET 1 -6.057 0.091 -19.843 1.00 73.13 ATOM 5 CG MET 1 -5.401 2.109 -19.909 1.00 72.40 ATOM 6 HG1 MET 1 -4.435 1.855 -19.495 1.00 36.85 ATOM 7 HG2 MET 1 -5.716 3.066 -19.522 1.00 4.21 ATOM 8 SD MET 1 -5.248 2.233 -21.703 1.00 12.33 ATOM 9 CE MET 1 -4.067 3.572 -21.860 1.00 43.10 ATOM 10 HE1 MET 1 -3.150 3.306 -21.352 1.00 10.01 ATOM 11 HE2 MET 1 -4.476 4.468 -21.418 1.00 41.03 ATOM 12 HE3 MET 1 -3.861 3.751 -22.906 1.00 11.22 ATOM 13 C MET 1 -5.354 0.531 -17.256 1.00 21.54 ATOM 14 O MET 1 -4.552 1.371 -16.845 1.00 54.14 ATOM 15 N MET 1 -7.153 2.256 -17.443 1.00 34.40 ATOM 16 HT1 MET 1 -7.985 2.565 -17.985 1.00 36.85 ATOM 17 HT2 MET 1 -6.420 2.990 -17.506 1.00 36.85 ATOM 18 HT3 MET 1 -7.431 2.147 -16.445 1.00 36.85 ATOM 19 CA MET 1 -6.642 0.960 -17.973 1.00 11.32 ATOM 20 N GLY 2 -5.164 -0.778 -17.110 1.00 10.44 ATOM 21 HN GLY 2 -5.823 -1.401 -17.489 1.00 36.85 ATOM 22 CA GLY 2 -3.999 -1.308 -16.399 1.00 64.31 ATOM 23 HA1 GLY 2 -3.686 -0.593 -15.652 1.00 36.85 ATOM 24 HA2 GLY 2 -3.193 -1.448 -17.107 1.00 11.15 ATOM 25 C GLY 2 -4.293 -2.642 -15.714 1.00 50.10 ATOM 26 O GLY 2 -5.165 -3.390 -16.155 1.00 20.55 ATOM 27 N HIS 3 -3.574 -2.951 -14.637 1.00 40.45 ATOM 28 HN HIS 3 -2.871 -2.334 -14.337 1.00 36.85 ATOM 29 CA HIS 3 -3.808 -4.194 -13.884 1.00 53.44 ATOM 30 HA HIS 3 -4.748 -4.611 -14.222 1.00 35.10 ATOM 31 CB HIS 3 -2.692 -5.213 -14.165 1.00 13.12 ATOM 32 HB1 HIS 3 -2.844 -6.085 -13.543 1.00 36.85 ATOM 33 HB2 HIS 3 -1.739 -4.768 -13.921 1.00 41.22 ATOM 34 CG HIS 3 -2.634 -5.673 -15.596 1.00 72.35 ATOM 35 ND1 HIS 3 -1.488 -5.628 -16.357 1.00 51.24 ATOM 36 HD1 HIS 3 -0.611 -5.299 -16.057 1.00 71.13 ATOM 37 CD2 HIS 3 -3.586 -6.214 -16.397 1.00 42.52 ATOM 38 HD2 HIS 3 -4.616 -6.400 -16.132 1.00 22.42 ATOM 39 CE1 HIS 3 -1.734 -6.115 -17.556 1.00 22.10 ATOM 40 HE1 HIS 3 -1.020 -6.199 -18.360 1.00 51.00 ATOM 41 NE2 HIS 3 -2.999 -6.481 -17.609 1.00 41.14 ATOM 42 HE2 HIS 3 -3.376 -7.076 -18.293 1.00 36.85 ATOM 43 C HIS 3 -3.914 -3.925 -12.372 1.00 64.44 ATOM 44 O HIS 3 -3.115 -3.185 -11.800 1.00 2.04 ATOM 45 N HIS 4 -4.892 -4.559 -11.729 1.00 20.32 ATOM 46 HN HIS 4 -5.446 -5.194 -12.230 1.00 36.85 ATOM 47 CA HIS 4 -5.160 -4.364 -10.294 1.00 73.30 ATOM 48 HA HIS 4 -4.902 -3.344 -10.043 1.00 23.41 ATOM 49 CB HIS 4 -6.660 -4.578 -10.020 1.00 43.31 ATOM 50 HB1 HIS 4 -7.222 -3.804 -10.523 1.00 36.85 ATOM 51 HB2 HIS 4 -6.839 -4.506 -8.957 1.00 14.23 ATOM 52 CG HIS 4 -7.188 -5.909 -10.484 1.00 21.41 ATOM 53 ND1 HIS 4 -7.927 -6.066 -11.638 1.00 22.24 ATOM 54 HD1 HIS 4 -8.199 -5.347 -12.251 1.00 51.22 ATOM 55 CD2 HIS 4 -7.077 -7.151 -9.946 1.00 65.24 ATOM 56 HD2 HIS 4 -6.558 -7.410 -9.032 1.00 43.31 ATOM 57 CE1 HIS 4 -8.244 -7.340 -11.789 1.00 42.01 ATOM 58 HE1 HIS 4 -8.817 -7.757 -12.606 1.00 25.14 ATOM 59 NE2 HIS 4 -7.741 -8.016 -10.778 1.00 1.42 ATOM 60 HE2 HIS 4 -7.945 -8.954 -10.573 1.00 36.85 ATOM 61 C HIS 4 -4.312 -5.312 -9.421 1.00 2.30 ATOM 62 O HIS 4 -4.757 -5.774 -8.372 1.00 65.01 ATOM 63 N HIS 5 -3.080 -5.576 -9.845 1.00 4.51 ATOM 64 HN HIS 5 -2.749 -5.122 -10.645 1.00 36.85 ATOM 65 CA HIS 5 -2.212 -6.538 -9.151 1.00 1.24 ATOM 66 HA HIS 5 -2.810 -7.420 -8.960 1.00 25.34 ATOM 67 CB HIS 5 -1.037 -6.946 -10.058 1.00 3.14 ATOM 68 HB1 HIS 5 -1.432 -7.356 -10.978 1.00 36.85 ATOM 69 HB2 HIS 5 -0.457 -7.707 -9.557 1.00 52.12 ATOM 70 CG HIS 5 -0.103 -5.824 -10.418 1.00 74.24 ATOM 71 ND1 HIS 5 1.255 -5.999 -10.560 1.00 51.42 ATOM 72 HD1 HIS 5 1.736 -6.851 -10.462 1.00 62.40 ATOM 73 CD2 HIS 5 -0.331 -4.511 -10.668 1.00 12.52 ATOM 74 HD2 HIS 5 -1.289 -4.010 -10.643 1.00 33.30 ATOM 75 CE1 HIS 5 1.818 -4.854 -10.879 1.00 10.52 ATOM 76 HE1 HIS 5 2.874 -4.696 -11.052 1.00 0.44 ATOM 77 NE2 HIS 5 0.880 -3.935 -10.952 1.00 74.10 ATOM 78 HE2 HIS 5 1.000 -3.051 -11.365 1.00 36.85 ATOM 79 C HIS 5 -1.701 -6.010 -7.791 1.00 51.23 ATOM 80 O HIS 5 -0.552 -5.586 -7.663 1.00 42.45 ATOM 81 N HIS 6 -2.577 -6.021 -6.785 1.00 1.24 ATOM 82 HN HIS 6 -3.503 -6.278 -6.971 1.00 36.85 ATOM 83 CA HIS 6 -2.192 -5.658 -5.410 1.00 51.41 ATOM 84 HA HIS 6 -1.240 -6.131 -5.216 1.00 33.21 ATOM 85 CB HIS 6 -2.014 -4.132 -5.259 1.00 43.44 ATOM 86 HB1 HIS 6 -1.238 -3.805 -5.939 1.00 36.85 ATOM 87 HB2 HIS 6 -1.702 -3.914 -4.248 1.00 13.21 ATOM 88 CG HIS 6 -3.244 -3.312 -5.540 1.00 2.01 ATOM 89 ND1 HIS 6 -3.455 -2.655 -6.735 1.00 51.11 ATOM 90 HD1 HIS 6 -2.846 -2.657 -7.507 1.00 63.04 ATOM 91 CD2 HIS 6 -4.318 -3.014 -4.760 1.00 44.11 ATOM 92 HD2 HIS 6 -4.496 -3.361 -3.752 1.00 41.11 ATOM 93 CE1 HIS 6 -4.593 -1.988 -6.679 1.00 14.13 ATOM 94 HE1 HIS 6 -5.010 -1.380 -7.468 1.00 31.14 ATOM 95 NE2 HIS 6 -5.134 -2.191 -5.496 1.00 1.41 ATOM 96 HE2 HIS 6 -5.948 -1.751 -5.164 1.00 36.85 ATOM 97 C HIS 6 -3.199 -6.193 -4.374 1.00 60.50 ATOM 98 O HIS 6 -2.833 -6.476 -3.234 1.00 2.21 ATOM 99 N HIS 7 -4.466 -6.326 -4.770 1.00 55.24 ATOM 100 HN HIS 7 -4.718 -6.047 -5.676 1.00 36.85 ATOM 101 CA HIS 7 -5.500 -6.870 -3.881 1.00 65.54 ATOM 102 HA HIS 7 -5.440 -6.336 -2.942 1.00 51.53 ATOM 103 CB HIS 7 -6.890 -6.640 -4.489 1.00 63.11 ATOM 104 HB1 HIS 7 -6.914 -7.068 -5.482 1.00 36.85 ATOM 105 HB2 HIS 7 -7.072 -5.577 -4.561 1.00 53.12 ATOM 106 CG HIS 7 -8.015 -7.244 -3.699 1.00 3.30 ATOM 107 ND1 HIS 7 -8.580 -8.466 -4.004 1.00 40.42 ATOM 108 HD1 HIS 7 -8.311 -9.053 -4.743 1.00 34.14 ATOM 109 CD2 HIS 7 -8.684 -6.791 -2.611 1.00 54.23 ATOM 110 HD2 HIS 7 -8.510 -5.858 -2.092 1.00 63.45 ATOM 111 CE1 HIS 7 -9.541 -8.734 -3.147 1.00 21.20 ATOM 112 HE1 HIS 7 -10.159 -9.620 -3.146 1.00 62.01 ATOM 113 NE2 HIS 7 -9.624 -7.737 -2.293 1.00 11.04 ATOM 114 HE2 HIS 7 -10.326 -7.634 -1.618 1.00 36.85 ATOM 115 C HIS 7 -5.288 -8.370 -3.610 1.00 4.25 ATOM 116 O HIS 7 -5.390 -9.193 -4.520 1.00 34.55 ATOM 117 N HIS 8 -4.998 -8.718 -2.357 1.00 53.13 ATOM 118 HN HIS 8 -4.885 -8.016 -1.681 1.00 36.85 ATOM 119 CA HIS 8 -4.841 -10.124 -1.967 1.00 72.34 ATOM 120 HA HIS 8 -4.367 -10.634 -2.797 1.00 1.25 ATOM 121 CB HIS 8 -3.928 -10.254 -0.732 1.00 44.13 ATOM 122 HB1 HIS 8 -2.930 -9.941 -1.003 1.00 36.85 ATOM 123 HB2 HIS 8 -3.897 -11.290 -0.428 1.00 50.22 ATOM 124 CG HIS 8 -4.353 -9.445 0.462 1.00 33.50 ATOM 125 ND1 HIS 8 -3.816 -8.212 0.767 1.00 44.42 ATOM 126 HD1 HIS 8 -3.132 -7.736 0.247 1.00 3.04 ATOM 127 CD2 HIS 8 -5.246 -9.713 1.446 1.00 13.34 ATOM 128 HD2 HIS 8 -5.856 -10.601 1.535 1.00 22.23 ATOM 129 CE1 HIS 8 -4.358 -7.760 1.882 1.00 24.41 ATOM 130 HE1 HIS 8 -4.124 -6.822 2.362 1.00 73.30 ATOM 131 NE2 HIS 8 -5.226 -8.650 2.312 1.00 21.25 ATOM 132 HE2 HIS 8 -5.857 -8.510 3.052 1.00 36.85 ATOM 133 C HIS 8 -6.211 -10.783 -1.718 1.00 24.13 ATOM 134 O HIS 8 -6.947 -10.393 -0.814 1.00 45.21 ATOM 135 N SER 9 -6.548 -11.772 -2.544 1.00 45.10 ATOM 136 HN SER 9 -5.911 -12.048 -3.236 1.00 36.85 ATOM 137 CA SER 9 -7.856 -12.445 -2.466 1.00 64.53 ATOM 138 HA SER 9 -8.618 -11.682 -2.551 1.00 71.25 ATOM 139 CB SER 9 -8.020 -13.430 -3.632 1.00 74.00 ATOM 140 HB1 SER 9 -7.215 -14.151 -3.609 1.00 36.85 ATOM 141 HB2 SER 9 -7.989 -12.891 -4.567 1.00 21.23 ATOM 142 OG SER 9 -9.256 -14.123 -3.551 1.00 41.33 ATOM 143 HG SER 9 -9.584 -14.300 -4.444 1.00 11.30 ATOM 144 C SER 9 -8.060 -13.190 -1.135 1.00 32.44 ATOM 145 O SER 9 -9.106 -13.062 -0.492 1.00 21.32 ATOM 146 N HIS 10 -7.058 -13.966 -0.724 1.00 4.32 ATOM 147 HN HIS 10 -6.226 -13.982 -1.241 1.00 36.85 ATOM 148 CA HIS 10 -7.158 -14.786 0.492 1.00 23.24 ATOM 149 HA HIS 10 -8.028 -14.463 1.045 1.00 43.01 ATOM 150 CB HIS 10 -7.332 -16.267 0.108 1.00 73.10 ATOM 151 HB1 HIS 10 -8.214 -16.372 -0.508 1.00 36.85 ATOM 152 HB2 HIS 10 -7.456 -16.854 1.005 1.00 60.54 ATOM 153 CG HIS 10 -6.169 -16.831 -0.655 1.00 12.12 ATOM 154 ND1 HIS 10 -6.105 -16.848 -2.031 1.00 50.40 ATOM 155 HD1 HIS 10 -6.799 -16.524 -2.645 1.00 74.42 ATOM 156 CD2 HIS 10 -5.015 -17.400 -0.226 1.00 3.25 ATOM 157 HD2 HIS 10 -4.720 -17.556 0.802 1.00 33.34 ATOM 158 CE1 HIS 10 -4.969 -17.394 -2.412 1.00 20.15 ATOM 159 HE1 HIS 10 -4.649 -17.533 -3.432 1.00 72.23 ATOM 160 NE2 HIS 10 -4.291 -17.738 -1.340 1.00 21.23 ATOM 161 HE2 HIS 10 -3.508 -18.330 -1.345 1.00 36.85 ATOM 162 C HIS 10 -5.915 -14.618 1.384 1.00 32.03 ATOM 163 O HIS 10 -4.848 -14.252 0.896 1.00 64.31 ATOM 164 N PRO 11 -6.039 -14.882 2.702 1.00 1.24 ATOM 165 CA PRO 11 -4.888 -14.867 3.622 1.00 33.34 ATOM 166 HA PRO 11 -4.365 -13.922 3.573 1.00 62.03 ATOM 167 CB PRO 11 -5.526 -15.032 5.019 1.00 20.32 ATOM 168 HB1 PRO 11 -5.090 -14.316 5.702 1.00 36.85 ATOM 169 HB2 PRO 11 -5.350 -16.034 5.385 1.00 25.15 ATOM 170 CG PRO 11 -6.986 -14.776 4.823 1.00 12.10 ATOM 171 HG1 PRO 11 -7.199 -13.725 4.967 1.00 36.85 ATOM 172 HG2 PRO 11 -7.560 -15.371 5.521 1.00 23.31 ATOM 173 CD PRO 11 -7.295 -15.186 3.409 1.00 23.31 ATOM 174 HD1 PRO 11 -8.114 -14.602 3.015 1.00 36.85 ATOM 175 HD2 PRO 11 -7.522 -16.243 3.360 1.00 64.35 ATOM 176 C PRO 11 -3.892 -16.009 3.342 1.00 11.12 ATOM 177 O PRO 11 -4.200 -17.183 3.556 1.00 41.23 ATOM 178 N ASN 12 -2.708 -15.656 2.841 1.00 13.33 ATOM 179 HN ASN 12 -2.553 -14.716 2.620 1.00 36.85 ATOM 180 CA ASN 12 -1.640 -16.633 2.580 1.00 5.13 ATOM 181 HA ASN 12 -2.035 -17.383 1.909 1.00 42.41 ATOM 182 CB ASN 12 -0.452 -15.940 1.898 1.00 4.13 ATOM 183 HB1 ASN 12 0.374 -16.635 1.831 1.00 36.85 ATOM 184 HB2 ASN 12 -0.150 -15.088 2.490 1.00 4.33 ATOM 185 CG ASN 12 -0.784 -15.454 0.499 1.00 55.43 ATOM 186 OD1 ASN 12 -1.930 -15.172 0.176 1.00 32.33 ATOM 187 ND2 ASN 12 0.224 -15.337 -0.340 1.00 50.21 ATOM 188 HD21 ASN 12 1.122 -15.560 -0.020 1.00 61.34 ATOM 189 HD22 ASN 12 0.030 -15.036 -1.250 1.00 54.01 ATOM 190 C ASN 12 -1.168 -17.326 3.870 1.00 62.22 ATOM 191 O ASN 12 -1.473 -16.879 4.978 1.00 71.15 ATOM 192 N GLU 13 -0.407 -18.408 3.719 1.00 44.32 ATOM 193 HN GLU 13 -0.163 -18.695 2.814 1.00 36.85 ATOM 194 CA GLU 13 0.080 -19.178 4.871 1.00 13.14 ATOM 195 HA GLU 13 -0.789 -19.542 5.405 1.00 50.40 ATOM 196 CB GLU 13 0.908 -20.382 4.399 1.00 71.11 ATOM 197 HB1 GLU 13 1.748 -20.021 3.822 1.00 36.85 ATOM 198 HB2 GLU 13 0.288 -20.999 3.763 1.00 4.11 ATOM 199 CG GLU 13 1.447 -21.252 5.534 1.00 25.02 ATOM 200 HG1 GLU 13 0.650 -21.431 6.245 1.00 36.85 ATOM 201 HG2 GLU 13 2.252 -20.726 6.026 1.00 34.22 ATOM 202 CD GLU 13 1.967 -22.591 5.039 1.00 24.21 ATOM 203 OE1 GLU 13 1.143 -23.511 4.860 1.00 52.23 ATOM 204 OE2 GLU 13 3.188 -22.722 4.806 1.00 2.34 ATOM 205 C GLU 13 0.906 -18.300 5.826 1.00 75.13 ATOM 206 O GLU 13 0.699 -18.316 7.041 1.00 34.52 ATOM 207 N GLU 14 1.828 -17.528 5.261 1.00 13.12 ATOM 208 HN GLU 14 1.986 -17.610 4.295 1.00 36.85 ATOM 209 CA GLU 14 2.626 -16.567 6.032 1.00 42.40 ATOM 210 HA GLU 14 3.200 -17.118 6.764 1.00 23.22 ATOM 211 CB GLU 14 3.588 -15.836 5.086 1.00 21.15 ATOM 212 HB1 GLU 14 4.162 -15.118 5.655 1.00 36.85 ATOM 213 HB2 GLU 14 3.008 -15.308 4.341 1.00 54.44 ATOM 214 CG GLU 14 4.563 -16.766 4.366 1.00 74.15 ATOM 215 HG1 GLU 14 4.041 -17.673 4.090 1.00 36.85 ATOM 216 HG2 GLU 14 5.372 -17.014 5.040 1.00 52.13 ATOM 217 CD GLU 14 5.152 -16.140 3.112 1.00 61.32 ATOM 218 OE1 GLU 14 4.681 -16.477 2.002 1.00 34.43 ATOM 219 OE2 GLU 14 6.067 -15.300 3.229 1.00 52.44 ATOM 220 C GLU 14 1.726 -15.550 6.759 1.00 42.31 ATOM 221 O GLU 14 2.055 -15.074 7.849 1.00 64.43 ATOM 222 N ALA 15 0.577 -15.240 6.153 1.00 31.15 ATOM 223 HN ALA 15 0.356 -15.679 5.305 1.00 36.85 ATOM 224 CA ALA 15 -0.367 -14.270 6.718 1.00 13.23 ATOM 225 HA ALA 15 0.205 -13.421 7.071 1.00 13.12 ATOM 226 CB ALA 15 -1.321 -13.773 5.634 1.00 62.34 ATOM 227 HB1 ALA 15 -1.965 -13.007 6.041 1.00 74.23 ATOM 228 HB2 ALA 15 -1.923 -14.596 5.275 1.00 42.42 ATOM 229 HB3 ALA 15 -0.752 -13.362 4.813 1.00 51.34 ATOM 230 C ALA 15 -1.153 -14.860 7.901 1.00 71.44 ATOM 231 O ALA 15 -1.208 -14.263 8.975 1.00 65.41 ATOM 232 N ARG 16 -1.748 -16.040 7.709 1.00 53.34 ATOM 233 HN ARG 16 -1.686 -16.469 6.828 1.00 36.85 ATOM 234 CA ARG 16 -2.501 -16.706 8.785 1.00 22.02 ATOM 235 HA ARG 16 -3.263 -16.015 9.121 1.00 73.11 ATOM 236 CB ARG 16 -3.191 -17.985 8.266 1.00 50.33 ATOM 237 HB1 ARG 16 -3.877 -17.710 7.476 1.00 36.85 ATOM 238 HB2 ARG 16 -3.756 -18.429 9.074 1.00 22.41 ATOM 239 CG ARG 16 -2.232 -19.040 7.718 1.00 0.34 ATOM 240 HG1 ARG 16 -1.550 -19.331 8.505 1.00 36.85 ATOM 241 HG2 ARG 16 -1.671 -18.610 6.900 1.00 44.24 ATOM 242 CD ARG 16 -2.962 -20.284 7.212 1.00 61.12 ATOM 243 HD1 ARG 16 -3.695 -19.984 6.475 1.00 36.85 ATOM 244 HD2 ARG 16 -3.463 -20.756 8.046 1.00 21.42 ATOM 245 NE ARG 16 -2.040 -21.251 6.606 1.00 0.21 ATOM 246 HE ARG 16 -1.092 -21.170 6.824 1.00 20.54 ATOM 247 CZ ARG 16 -2.407 -22.203 5.782 1.00 3.51 ATOM 248 NH1 ARG 16 -3.658 -22.401 5.513 1.00 24.34 ATOM 249 HH11 ARG 16 -4.357 -21.833 5.937 1.00 33.03 ATOM 250 HH12 ARG 16 -3.917 -23.126 4.878 1.00 54.11 ATOM 251 NH2 ARG 16 -1.520 -22.988 5.255 1.00 2.14 ATOM 252 HH21 ARG 16 -0.551 -22.879 5.474 1.00 13.52 ATOM 253 HH22 ARG 16 -1.809 -23.704 4.621 1.00 41.11 ATOM 254 C ARG 16 -1.584 -17.035 9.976 1.00 3.40 ATOM 255 O ARG 16 -1.977 -16.896 11.136 1.00 43.32 ATOM 256 N LEU 17 -0.355 -17.456 9.675 1.00 52.34 ATOM 257 HN LEU 17 -0.116 -17.584 8.733 1.00 36.85 ATOM 258 CA LEU 17 0.648 -17.739 10.704 1.00 13.30 ATOM 259 HA LEU 17 0.231 -18.468 11.383 1.00 24.23 ATOM 260 CB LEU 17 1.910 -18.326 10.055 1.00 23.53 ATOM 261 HB1 LEU 17 2.318 -17.585 9.382 1.00 36.85 ATOM 262 HB2 LEU 17 1.618 -19.189 9.473 1.00 70.12 ATOM 263 CG LEU 17 3.020 -18.752 11.028 1.00 30.30 ATOM 264 HG LEU 17 3.318 -17.896 11.616 1.00 35.13 ATOM 265 CD1 LEU 17 2.518 -19.821 11.991 1.00 13.23 ATOM 266 HD11 LEU 17 2.174 -20.681 11.433 1.00 75.23 ATOM 267 HD12 LEU 17 1.703 -19.424 12.578 1.00 33.22 ATOM 268 HD13 LEU 17 3.321 -20.118 12.649 1.00 71.21 ATOM 269 CD2 LEU 17 4.247 -19.248 10.262 1.00 40.20 ATOM 270 HD21 LEU 17 3.985 -20.120 9.681 1.00 3.50 ATOM 271 HD22 LEU 17 5.031 -19.503 10.960 1.00 65.41 ATOM 272 HD23 LEU 17 4.598 -18.468 9.601 1.00 4.12 ATOM 273 C LEU 17 0.996 -16.467 11.494 1.00 3.14 ATOM 274 O LEU 17 1.218 -16.512 12.708 1.00 31.44 ATOM 275 N ASP 18 1.030 -15.334 10.794 1.00 41.35 ATOM 276 HN ASP 18 0.871 -15.369 9.827 1.00 36.85 ATOM 277 CA ASP 18 1.304 -14.038 11.416 1.00 21.41 ATOM 278 HA ASP 18 2.239 -14.118 11.953 1.00 53.43 ATOM 279 CB ASP 18 1.441 -12.963 10.331 1.00 23.03 ATOM 280 HB1 ASP 18 0.465 -12.746 9.917 1.00 36.85 ATOM 281 HB2 ASP 18 2.081 -13.333 9.543 1.00 32.25 ATOM 282 CG ASP 18 2.035 -11.675 10.866 1.00 40.42 ATOM 283 OD1 ASP 18 3.276 -11.597 10.988 1.00 73.10 ATOM 284 OD2 ASP 18 1.272 -10.733 11.160 1.00 34.30 ATOM 285 C ASP 18 0.191 -13.659 12.411 1.00 11.02 ATOM 286 O ASP 18 0.464 -13.294 13.558 1.00 21.34 ATOM 287 N ILE 19 -1.062 -13.767 11.965 1.00 50.30 ATOM 288 HN ILE 19 -1.209 -14.042 11.034 1.00 36.85 ATOM 289 CA ILE 19 -2.228 -13.485 12.818 1.00 43.12 ATOM 290 HA ILE 19 -2.211 -12.436 13.076 1.00 23.02 ATOM 291 CB ILE 19 -3.557 -13.793 12.079 1.00 5.44 ATOM 292 HB ILE 19 -3.646 -14.867 11.979 1.00 24.31 ATOM 293 CG1 ILE 19 -3.568 -13.156 10.678 1.00 65.24 ATOM 294 HG11 ILE 19 -2.643 -13.392 10.174 1.00 36.85 ATOM 295 HG12 ILE 19 -3.658 -12.084 10.772 1.00 73.43 ATOM 296 CG2 ILE 19 -4.752 -13.296 12.896 1.00 51.34 ATOM 297 HG21 ILE 19 -4.755 -13.779 13.863 1.00 12.01 ATOM 298 HG22 ILE 19 -5.670 -13.533 12.376 1.00 0.14 ATOM 299 HG23 ILE 19 -4.681 -12.226 13.029 1.00 52.23 ATOM 300 CD1 ILE 19 -4.707 -13.643 9.805 1.00 32.32 ATOM 301 HD11 ILE 19 -4.641 -13.177 8.834 1.00 2.55 ATOM 302 HD12 ILE 19 -5.651 -13.388 10.264 1.00 73.40 ATOM 303 HD13 ILE 19 -4.639 -14.717 9.694 1.00 75.14 ATOM 304 C ILE 19 -2.182 -14.323 14.111 1.00 30.40 ATOM 305 O ILE 19 -2.466 -13.827 15.209 1.00 44.11 ATOM 306 N LEU 20 -1.829 -15.601 13.959 1.00 31.45 ATOM 307 HN LEU 20 -1.690 -15.947 13.050 1.00 36.85 ATOM 308 CA LEU 20 -1.647 -16.511 15.096 1.00 3.14 ATOM 309 HA LEU 20 -2.603 -16.619 15.589 1.00 53.12 ATOM 310 CB LEU 20 -1.189 -17.891 14.587 1.00 24.41 ATOM 311 HB1 LEU 20 -0.812 -18.460 15.427 1.00 36.85 ATOM 312 HB2 LEU 20 -0.376 -17.739 13.888 1.00 20.33 ATOM 313 CG LEU 20 -2.281 -18.725 13.890 1.00 25.13 ATOM 314 HG LEU 20 -2.867 -18.079 13.252 1.00 34.25 ATOM 315 CD1 LEU 20 -1.668 -19.812 13.012 1.00 14.44 ATOM 316 HD11 LEU 20 -2.458 -20.409 12.578 1.00 61.52 ATOM 317 HD12 LEU 20 -1.024 -20.443 13.606 1.00 10.21 ATOM 318 HD13 LEU 20 -1.094 -19.351 12.221 1.00 53.14 ATOM 319 CD2 LEU 20 -3.223 -19.344 14.921 1.00 0.22 ATOM 320 HD21 LEU 20 -3.683 -18.562 15.505 1.00 21.11 ATOM 321 HD22 LEU 20 -2.664 -20.000 15.575 1.00 33.41 ATOM 322 HD23 LEU 20 -3.989 -19.911 14.414 1.00 62.51 ATOM 323 C LEU 20 -0.632 -15.952 16.106 1.00 65.20 ATOM 324 O LEU 20 -0.920 -15.860 17.302 1.00 23.42 ATOM 325 N LYS 21 0.542 -15.561 15.613 1.00 5.33 ATOM 326 HN LYS 21 0.705 -15.645 14.646 1.00 36.85 ATOM 327 CA LYS 21 1.604 -15.010 16.469 1.00 72.22 ATOM 328 HA LYS 21 1.874 -15.773 17.188 1.00 20.25 ATOM 329 CB LYS 21 2.840 -14.670 15.623 1.00 40.44 ATOM 330 HB1 LYS 21 3.586 -14.218 16.262 1.00 36.85 ATOM 331 HB2 LYS 21 2.555 -13.957 14.861 1.00 51.40 ATOM 332 CG LYS 21 3.470 -15.877 14.935 1.00 51.12 ATOM 333 HG1 LYS 21 2.717 -16.366 14.332 1.00 36.85 ATOM 334 HG2 LYS 21 3.826 -16.564 15.690 1.00 24.03 ATOM 335 CD LYS 21 4.642 -15.476 14.037 1.00 63.41 ATOM 336 HD1 LYS 21 5.400 -14.997 14.639 1.00 36.85 ATOM 337 HD2 LYS 21 4.288 -14.784 13.286 1.00 2.34 ATOM 338 CE LYS 21 5.253 -16.685 13.339 1.00 13.22 ATOM 339 HE1 LYS 21 4.479 -17.191 12.781 1.00 36.85 ATOM 340 HE2 LYS 21 5.650 -17.354 14.088 1.00 41.03 ATOM 341 NZ LYS 21 6.346 -16.303 12.405 1.00 62.14 ATOM 342 HZ1 LYS 21 5.988 -15.657 11.671 1.00 22.42 ATOM 343 HZ2 LYS 21 6.731 -17.149 11.940 1.00 0.12 ATOM 344 HZ3 LYS 21 7.115 -15.828 12.922 1.00 73.32 ATOM 345 C LYS 21 1.136 -13.754 17.233 1.00 12.22 ATOM 346 O LYS 21 1.541 -13.523 18.373 1.00 61.42 ATOM 347 N ILE 22 0.287 -12.947 16.594 1.00 22.34 ATOM 348 HN ILE 22 0.003 -13.183 15.684 1.00 36.85 ATOM 349 CA ILE 22 -0.222 -11.706 17.204 1.00 42.34 ATOM 350 HA ILE 22 0.621 -11.184 17.642 1.00 60.25 ATOM 351 CB ILE 22 -0.865 -10.777 16.138 1.00 61.41 ATOM 352 HB ILE 22 -1.708 -11.298 15.706 1.00 24.25 ATOM 353 CG1 ILE 22 0.144 -10.454 15.024 1.00 73.22 ATOM 354 HG11 ILE 22 0.503 -11.377 14.593 1.00 36.85 ATOM 355 HG12 ILE 22 0.979 -9.911 15.444 1.00 24.54 ATOM 356 CG2 ILE 22 -1.389 -9.488 16.782 1.00 63.14 ATOM 357 HG21 ILE 22 -0.572 -8.962 17.255 1.00 52.20 ATOM 358 HG22 ILE 22 -2.134 -9.733 17.524 1.00 33.55 ATOM 359 HG23 ILE 22 -1.833 -8.857 16.024 1.00 14.31 ATOM 360 CD1 ILE 22 -0.434 -9.615 13.902 1.00 20.13 ATOM 361 HD11 ILE 22 -1.253 -10.146 13.442 1.00 15.21 ATOM 362 HD12 ILE 22 0.331 -9.425 13.164 1.00 2.43 ATOM 363 HD13 ILE 22 -0.791 -8.676 14.300 1.00 22.14 ATOM 364 C ILE 22 -1.259 -11.978 18.312 1.00 41.41 ATOM 365 O ILE 22 -1.237 -11.337 19.363 1.00 44.13 ATOM 366 N HIS 23 -2.174 -12.918 18.071 1.00 3.30 ATOM 367 HN HIS 23 -2.113 -13.443 17.242 1.00 36.85 ATOM 368 CA HIS 23 -3.268 -13.191 19.020 1.00 24.11 ATOM 369 HA HIS 23 -3.563 -12.244 19.451 1.00 42.23 ATOM 370 CB HIS 23 -4.480 -13.780 18.282 1.00 43.43 ATOM 371 HB1 HIS 23 -5.173 -14.188 19.005 1.00 36.85 ATOM 372 HB2 HIS 23 -4.145 -14.572 17.629 1.00 53.11 ATOM 373 CG HIS 23 -5.225 -12.781 17.447 1.00 73.33 ATOM 374 ND1 HIS 23 -6.491 -12.340 17.762 1.00 4.03 ATOM 375 HD1 HIS 23 -7.010 -12.600 18.555 1.00 1.22 ATOM 376 CD2 HIS 23 -4.889 -12.148 16.297 1.00 25.41 ATOM 377 HD2 HIS 23 -3.959 -12.252 15.756 1.00 63.05 ATOM 378 CE1 HIS 23 -6.901 -11.487 16.848 1.00 1.15 ATOM 379 HE1 HIS 23 -7.857 -10.984 16.838 1.00 60.31 ATOM 380 NE2 HIS 23 -5.949 -11.349 15.947 1.00 4.22 ATOM 381 HE2 HIS 23 -5.913 -10.623 15.288 1.00 36.85 ATOM 382 C HIS 23 -2.849 -14.126 20.173 1.00 43.00 ATOM 383 O HIS 23 -3.133 -13.844 21.340 1.00 61.01 ATOM 384 N SER 24 -2.164 -15.221 19.848 1.00 54.32 ATOM 385 HN SER 24 -1.857 -15.335 18.924 1.00 36.85 ATOM 386 CA SER 24 -1.845 -16.267 20.842 1.00 71.42 ATOM 387 HA SER 24 -2.753 -16.490 21.384 1.00 42.40 ATOM 388 CB SER 24 -1.366 -17.546 20.142 1.00 3.33 ATOM 389 HB1 SER 24 -2.114 -17.869 19.432 1.00 36.85 ATOM 390 HB2 SER 24 -1.211 -18.324 20.878 1.00 4.04 ATOM 391 OG SER 24 -0.147 -17.330 19.451 1.00 22.41 ATOM 392 HG SER 24 -0.327 -17.190 18.517 1.00 33.41 ATOM 393 C SER 24 -0.779 -15.815 21.851 1.00 73.44 ATOM 394 O SER 24 -0.678 -16.372 22.947 1.00 13.40 ATOM 395 N ARG 25 -0.010 -14.787 21.492 1.00 22.11 ATOM 396 HN ARG 25 -0.206 -14.323 20.652 1.00 36.85 ATOM 397 CA ARG 25 1.133 -14.345 22.306 1.00 51.24 ATOM 398 HA ARG 25 1.775 -15.205 22.429 1.00 65.33 ATOM 399 CB ARG 25 1.931 -13.261 21.564 1.00 34.51 ATOM 400 HB1 ARG 25 2.288 -13.678 20.633 1.00 36.85 ATOM 401 HB2 ARG 25 2.783 -12.985 22.167 1.00 32.20 ATOM 402 CG ARG 25 1.149 -11.989 21.245 1.00 52.04 ATOM 403 HG1 ARG 25 0.821 -11.536 22.170 1.00 36.85 ATOM 404 HG2 ARG 25 0.289 -12.247 20.644 1.00 41.45 ATOM 405 CD ARG 25 2.011 -10.986 20.477 1.00 52.12 ATOM 406 HD1 ARG 25 2.377 -11.463 19.578 1.00 36.85 ATOM 407 HD2 ARG 25 2.851 -10.705 21.097 1.00 15.23 ATOM 408 NE ARG 25 1.273 -9.778 20.103 1.00 11.22 ATOM 409 HE ARG 25 0.313 -9.755 20.292 1.00 60.13 ATOM 410 CZ ARG 25 1.818 -8.730 19.539 1.00 65.50 ATOM 411 NH1 ARG 25 3.082 -8.712 19.255 1.00 44.21 ATOM 412 HH11 ARG 25 3.653 -9.504 19.460 1.00 54.14 ATOM 413 HH12 ARG 25 3.489 -7.901 18.837 1.00 33.12 ATOM 414 NH2 ARG 25 1.091 -7.701 19.253 1.00 23.12 ATOM 415 HH21 ARG 25 0.117 -7.708 19.465 1.00 42.10 ATOM 416 HH22 ARG 25 1.507 -6.899 18.820 1.00 5.23 ATOM 417 C ARG 25 0.736 -13.857 23.717 1.00 62.44 ATOM 418 O ARG 25 1.606 -13.507 24.522 1.00 33.04 ATOM 419 N LYS 26 -0.563 -13.838 24.025 1.00 71.02 ATOM 420 HN LYS 26 -1.221 -14.027 23.326 1.00 36.85 ATOM 421 CA LYS 26 -1.025 -13.534 25.388 1.00 74.41 ATOM 422 HA LYS 26 -0.463 -12.687 25.758 1.00 75.05 ATOM 423 CB LYS 26 -2.524 -13.195 25.410 1.00 23.33 ATOM 424 HB1 LYS 26 -2.781 -12.846 26.402 1.00 36.85 ATOM 425 HB2 LYS 26 -3.085 -14.096 25.205 1.00 43.30 ATOM 426 CG LYS 26 -2.959 -12.136 24.408 1.00 53.14 ATOM 427 HG1 LYS 26 -2.781 -12.505 23.407 1.00 36.85 ATOM 428 HG2 LYS 26 -2.381 -11.237 24.571 1.00 4.14 ATOM 429 CD LYS 26 -4.446 -11.810 24.564 1.00 70.40 ATOM 430 HD1 LYS 26 -4.582 -11.220 25.460 1.00 36.85 ATOM 431 HD2 LYS 26 -5.000 -12.733 24.654 1.00 44.45 ATOM 432 CE LYS 26 -4.988 -11.033 23.373 1.00 31.45 ATOM 433 HE1 LYS 26 -4.439 -10.107 23.277 1.00 36.85 ATOM 434 HE2 LYS 26 -6.033 -10.815 23.543 1.00 61.04 ATOM 435 NZ LYS 26 -4.855 -11.807 22.110 1.00 0.44 ATOM 436 HZ1 LYS 26 -5.301 -11.293 21.326 1.00 73.40 ATOM 437 HZ2 LYS 26 -5.310 -12.738 22.208 1.00 43.54 ATOM 438 HZ3 LYS 26 -3.849 -11.950 21.886 1.00 35.12 ATOM 439 C LYS 26 -0.801 -14.735 26.318 1.00 2.02 ATOM 440 O LYS 26 -0.301 -14.597 27.437 1.00 44.33 ATOM 441 N MET 27 -1.163 -15.917 25.824 1.00 60.12 ATOM 442 HN MET 27 -1.374 -15.983 24.869 1.00 36.85 ATOM 443 CA MET 27 -1.228 -17.129 26.647 1.00 51.14 ATOM 444 HA MET 27 -1.621 -16.849 27.614 1.00 11.22 ATOM 445 CB MET 27 -2.187 -18.139 26.006 1.00 32.33 ATOM 446 HB1 MET 27 -2.252 -19.013 26.640 1.00 36.85 ATOM 447 HB2 MET 27 -1.793 -18.433 25.043 1.00 34.53 ATOM 448 CG MET 27 -3.592 -17.596 25.800 1.00 43.20 ATOM 449 HG1 MET 27 -3.539 -16.724 25.163 1.00 36.85 ATOM 450 HG2 MET 27 -3.998 -17.313 26.761 1.00 51.13 ATOM 451 SD MET 27 -4.698 -18.800 25.042 1.00 5.13 ATOM 452 CE MET 27 -3.850 -19.134 23.496 1.00 0.14 ATOM 453 HE1 MET 27 -3.739 -18.214 22.941 1.00 53.21 ATOM 454 HE2 MET 27 -4.428 -19.838 22.916 1.00 14.24 ATOM 455 HE3 MET 27 -2.876 -19.552 23.701 1.00 62.11 ATOM 456 C MET 27 0.147 -17.778 26.847 1.00 11.21 ATOM 457 O MET 27 1.075 -17.559 26.070 1.00 40.25 ATOM 458 N ASN 28 0.259 -18.587 27.896 1.00 2.33 ATOM 459 HN ASN 28 -0.507 -18.695 28.494 1.00 36.85 ATOM 460 CA ASN 28 1.498 -19.312 28.191 1.00 31.32 ATOM 461 HA ASN 28 2.315 -18.604 28.156 1.00 25.12 ATOM 462 CB ASN 28 1.427 -19.921 29.598 1.00 1.04 ATOM 463 HB1 ASN 28 2.385 -20.359 29.845 1.00 36.85 ATOM 464 HB2 ASN 28 0.670 -20.692 29.613 1.00 32.34 ATOM 465 CG ASN 28 1.080 -18.892 30.658 1.00 43.33 ATOM 466 OD1 ASN 28 1.427 -17.723 30.546 1.00 54.21 ATOM 467 ND2 ASN 28 0.380 -19.315 31.690 1.00 10.14 ATOM 468 HD21 ASN 28 0.121 -20.261 31.718 1.00 21.41 ATOM 469 HD22 ASN 28 0.142 -18.662 32.383 1.00 60.30 ATOM 470 C ASN 28 1.754 -20.413 27.148 1.00 32.24 ATOM 471 O ASN 28 1.328 -21.556 27.317 1.00 21.44 ATOM 472 N LEU 29 2.417 -20.052 26.053 1.00 5.43 ATOM 473 HN LEU 29 2.701 -19.119 25.956 1.00 36.85 ATOM 474 CA LEU 29 2.729 -21.009 24.984 1.00 43.25 ATOM 475 HA LEU 29 1.821 -21.547 24.747 1.00 54.21 ATOM 476 CB LEU 29 3.207 -20.266 23.726 1.00 43.25 ATOM 477 HB1 LEU 29 3.427 -20.998 22.962 1.00 36.85 ATOM 478 HB2 LEU 29 4.121 -19.741 23.970 1.00 62.54 ATOM 479 CG LEU 29 2.207 -19.249 23.144 1.00 24.33 ATOM 480 HG LEU 29 2.029 -18.475 23.878 1.00 72.14 ATOM 481 CD1 LEU 29 2.779 -18.579 21.896 1.00 15.44 ATOM 482 HD11 LEU 29 2.066 -17.866 21.509 1.00 72.02 ATOM 483 HD12 LEU 29 2.984 -19.328 21.143 1.00 50.02 ATOM 484 HD13 LEU 29 3.695 -18.066 22.150 1.00 1.43 ATOM 485 CD2 LEU 29 0.868 -19.917 22.835 1.00 25.12 ATOM 486 HD21 LEU 29 1.012 -20.706 22.110 1.00 54.14 ATOM 487 HD22 LEU 29 0.183 -19.183 22.435 1.00 32.44 ATOM 488 HD23 LEU 29 0.455 -20.335 23.742 1.00 52.13 ATOM 489 C LEU 29 3.794 -22.017 25.441 1.00 21.35 ATOM 490 O LEU 29 4.894 -21.630 25.852 1.00 31.44 ATOM 491 N THR 30 3.462 -23.306 25.364 1.00 64.41 ATOM 492 HN THR 30 2.587 -23.547 24.990 1.00 36.85 ATOM 493 CA THR 30 4.358 -24.377 25.828 1.00 62.23 ATOM 494 HA THR 30 4.516 -24.234 26.889 1.00 50.31 ATOM 495 CB THR 30 3.720 -25.774 25.625 1.00 60.35 ATOM 496 HB THR 30 2.753 -25.780 26.107 1.00 50.12 ATOM 497 OG1 THR 30 4.542 -26.792 26.222 1.00 40.55 ATOM 498 HG1 THR 30 4.184 -27.664 26.000 1.00 2.44 ATOM 499 CG2 THR 30 3.526 -26.084 24.144 1.00 14.21 ATOM 500 HG21 THR 30 3.066 -27.055 24.037 1.00 2.32 ATOM 501 HG22 THR 30 4.483 -26.084 23.644 1.00 44.24 ATOM 502 HG23 THR 30 2.888 -25.335 23.697 1.00 53.23 ATOM 503 C THR 30 5.721 -24.346 25.120 1.00 45.13 ATOM 504 O THR 30 5.847 -23.836 24.003 1.00 44.13 ATOM 505 N ARG 31 6.736 -24.895 25.779 1.00 12.40 ATOM 506 HN ARG 31 6.566 -25.295 26.660 1.00 36.85 ATOM 507 CA ARG 31 8.101 -24.918 25.244 1.00 62.20 ATOM 508 HA ARG 31 8.370 -23.903 24.989 1.00 33.42 ATOM 509 CB ARG 31 9.061 -25.424 26.328 1.00 13.41 ATOM 510 HB1 ARG 31 10.061 -25.470 25.919 1.00 36.85 ATOM 511 HB2 ARG 31 8.758 -26.418 26.626 1.00 74.21 ATOM 512 CG ARG 31 9.091 -24.537 27.571 1.00 31.22 ATOM 513 HG1 ARG 31 8.076 -24.337 27.884 1.00 36.85 ATOM 514 HG2 ARG 31 9.580 -23.605 27.324 1.00 55.12 ATOM 515 CD ARG 31 9.842 -25.192 28.723 1.00 72.13 ATOM 516 HD1 ARG 31 9.922 -24.482 29.533 1.00 36.85 ATOM 517 HD2 ARG 31 10.833 -25.462 28.383 1.00 11.14 ATOM 518 NE ARG 31 9.164 -26.394 29.210 1.00 15.04 ATOM 519 HE ARG 31 8.317 -26.640 28.783 1.00 73.33 ATOM 520 CZ ARG 31 9.618 -27.154 30.171 1.00 12.33 ATOM 521 NH1 ARG 31 10.728 -26.873 30.770 1.00 13.40 ATOM 522 HH11 ARG 31 11.247 -26.070 30.502 1.00 21.31 ATOM 523 HH12 ARG 31 11.065 -27.472 31.496 1.00 72.31 ATOM 524 NH2 ARG 31 8.957 -28.201 30.538 1.00 12.30 ATOM 525 HH21 ARG 31 8.098 -28.435 30.086 1.00 14.41 ATOM 526 HH22 ARG 31 9.310 -28.776 31.273 1.00 53.53 ATOM 527 C ARG 31 8.212 -25.792 23.978 1.00 73.14 ATOM 528 O ARG 31 7.939 -26.996 24.008 1.00 21.32 ATOM 529 N GLY 32 8.620 -25.173 22.870 1.00 31.14 ATOM 530 HN GLY 32 8.831 -24.216 22.912 1.00 36.85 ATOM 531 CA GLY 32 8.777 -25.892 21.607 1.00 3.20 ATOM 532 HA1 GLY 32 9.208 -26.862 21.812 1.00 36.85 ATOM 533 HA2 GLY 32 9.459 -25.338 20.982 1.00 11.03 ATOM 534 C GLY 32 7.471 -26.090 20.840 1.00 42.13 ATOM 535 O GLY 32 7.308 -27.080 20.118 1.00 34.11 ATOM 536 N ILE 33 6.540 -25.150 20.982 1.00 41.12 ATOM 537 HN ILE 33 6.720 -24.387 21.572 1.00 36.85 ATOM 538 CA ILE 33 5.246 -25.232 20.292 1.00 1.12 ATOM 539 HA ILE 33 4.874 -26.240 20.418 1.00 21.31 ATOM 540 CB ILE 33 4.213 -24.259 20.924 1.00 4.10 ATOM 541 HB ILE 33 4.102 -24.527 21.965 1.00 0.15 ATOM 542 CG1 ILE 33 2.845 -24.391 20.232 1.00 14.01 ATOM 543 HG11 ILE 33 2.519 -25.421 20.282 1.00 36.85 ATOM 544 HG12 ILE 33 2.942 -24.102 19.196 1.00 54.52 ATOM 545 CG2 ILE 33 4.716 -22.813 20.869 1.00 30.14 ATOM 546 HG21 ILE 33 3.980 -22.157 21.315 1.00 2.13 ATOM 547 HG22 ILE 33 4.875 -22.523 19.839 1.00 60.55 ATOM 548 HG23 ILE 33 5.646 -22.731 21.413 1.00 44.11 ATOM 549 CD1 ILE 33 1.759 -23.531 20.849 1.00 42.11 ATOM 550 HD11 ILE 33 1.620 -23.812 21.882 1.00 44.51 ATOM 551 HD12 ILE 33 0.835 -23.678 20.310 1.00 22.14 ATOM 552 HD13 ILE 33 2.046 -22.491 20.792 1.00 64.44 ATOM 553 C ILE 33 5.380 -24.943 18.781 1.00 43.43 ATOM 554 O ILE 33 6.031 -23.978 18.371 1.00 11.42 ATOM 555 N ASN 34 4.759 -25.792 17.959 1.00 2.41 ATOM 556 HN ASN 34 4.259 -26.541 18.343 1.00 36.85 ATOM 557 CA ASN 34 4.785 -25.638 16.497 1.00 61.22 ATOM 558 HA ASN 34 5.647 -25.038 16.236 1.00 53.12 ATOM 559 CB ASN 34 4.919 -27.020 15.838 1.00 70.12 ATOM 560 HB1 ASN 34 4.037 -27.604 16.065 1.00 36.85 ATOM 561 HB2 ASN 34 5.783 -27.520 16.250 1.00 31.13 ATOM 562 CG ASN 34 5.081 -26.965 14.326 1.00 73.23 ATOM 563 OD1 ASN 34 4.605 -26.054 13.657 1.00 61.11 ATOM 564 ND2 ASN 34 5.741 -27.960 13.772 1.00 43.31 ATOM 565 HD21 ASN 34 6.083 -28.668 14.354 1.00 41.45 ATOM 566 HD22 ASN 34 5.859 -27.951 12.800 1.00 64.23 ATOM 567 C ASN 34 3.509 -24.930 16.008 1.00 2.44 ATOM 568 O ASN 34 2.403 -25.449 16.163 1.00 33.13 ATOM 569 N LEU 35 3.672 -23.750 15.411 1.00 12.32 ATOM 570 HN LEU 35 4.582 -23.417 15.259 1.00 36.85 ATOM 571 CA LEU 35 2.530 -22.939 14.969 1.00 65.44 ATOM 572 HA LEU 35 1.670 -23.243 15.553 1.00 11.42 ATOM 573 CB LEU 35 2.796 -21.450 15.243 1.00 60.34 ATOM 574 HB1 LEU 35 1.959 -20.881 14.861 1.00 36.85 ATOM 575 HB2 LEU 35 3.684 -21.161 14.697 1.00 35.40 ATOM 576 CG LEU 35 2.994 -21.074 16.723 1.00 71.24 ATOM 577 HG LEU 35 3.853 -21.607 17.108 1.00 45.35 ATOM 578 CD1 LEU 35 3.273 -19.578 16.871 1.00 72.14 ATOM 579 HD11 LEU 35 3.400 -19.336 17.917 1.00 72.04 ATOM 580 HD12 LEU 35 2.444 -19.013 16.471 1.00 21.14 ATOM 581 HD13 LEU 35 4.175 -19.324 16.333 1.00 33.12 ATOM 582 CD2 LEU 35 1.777 -21.483 17.552 1.00 0.23 ATOM 583 HD21 LEU 35 0.894 -20.991 17.168 1.00 53.15 ATOM 584 HD22 LEU 35 1.928 -21.197 18.583 1.00 54.15 ATOM 585 HD23 LEU 35 1.645 -22.554 17.494 1.00 1.31 ATOM 586 C LEU 35 2.198 -23.147 13.479 1.00 12.42 ATOM 587 O LEU 35 1.034 -23.059 13.087 1.00 51.35 ATOM 588 N ARG 36 3.206 -23.419 12.642 1.00 40.24 ATOM 589 HN ARG 36 4.124 -23.483 12.990 1.00 36.85 ATOM 590 CA ARG 36 2.951 -23.621 11.207 1.00 12.33 ATOM 591 HA ARG 36 2.426 -22.746 10.848 1.00 12.41 ATOM 592 CB ARG 36 4.244 -23.789 10.394 1.00 34.24 ATOM 593 HB1 ARG 36 4.730 -24.710 10.686 1.00 36.85 ATOM 594 HB2 ARG 36 4.903 -22.957 10.601 1.00 51.13 ATOM 595 CG ARG 36 3.975 -23.836 8.888 1.00 71.01 ATOM 596 HG1 ARG 36 3.634 -22.859 8.570 1.00 36.85 ATOM 597 HG2 ARG 36 3.197 -24.560 8.696 1.00 54.12 ATOM 598 CD ARG 36 5.200 -24.215 8.065 1.00 42.34 ATOM 599 HD1 ARG 36 5.512 -25.213 8.337 1.00 36.85 ATOM 600 HD2 ARG 36 5.996 -23.515 8.279 1.00 72.52 ATOM 601 NE ARG 36 4.899 -24.177 6.631 1.00 25.43 ATOM 602 HE ARG 36 4.231 -23.526 6.331 1.00 51.35 ATOM 603 CZ ARG 36 5.448 -24.941 5.727 1.00 21.22 ATOM 604 NH1 ARG 36 6.334 -25.832 6.047 1.00 31.24 ATOM 605 HH11 ARG 36 6.608 -25.941 6.999 1.00 62.22 ATOM 606 HH12 ARG 36 6.735 -26.413 5.339 1.00 73.02 ATOM 607 NH2 ARG 36 5.101 -24.806 4.489 1.00 65.23 ATOM 608 HH21 ARG 36 4.417 -24.118 4.240 1.00 21.33 ATOM 609 HH22 ARG 36 5.512 -25.384 3.785 1.00 74.41 ATOM 610 C ARG 36 2.060 -24.848 10.979 1.00 14.11 ATOM 611 O ARG 36 1.093 -24.792 10.221 1.00 55.15 ATOM 612 N LYS 37 2.393 -25.951 11.651 1.00 33.03 ATOM 613 HN LYS 37 3.189 -25.932 12.226 1.00 36.85 ATOM 614 CA LYS 37 1.615 -27.192 11.555 1.00 45.22 ATOM 615 HA LYS 37 1.684 -27.545 10.534 1.00 73.05 ATOM 616 CB LYS 37 2.227 -28.250 12.495 1.00 52.42 ATOM 617 HB1 LYS 37 2.087 -27.926 13.518 1.00 36.85 ATOM 618 HB2 LYS 37 3.287 -28.306 12.298 1.00 73.21 ATOM 619 CG LYS 37 1.649 -29.659 12.365 1.00 5.24 ATOM 620 HG1 LYS 37 2.393 -30.372 12.696 1.00 36.85 ATOM 621 HG2 LYS 37 1.415 -29.843 11.327 1.00 44.10 ATOM 622 CD LYS 37 0.378 -29.847 13.196 1.00 31.12 ATOM 623 HD1 LYS 37 -0.439 -29.335 12.706 1.00 36.85 ATOM 624 HD2 LYS 37 0.533 -29.423 14.178 1.00 41.42 ATOM 625 CE LYS 37 0.023 -31.320 13.341 1.00 73.13 ATOM 626 HE1 LYS 37 0.865 -31.834 13.781 1.00 36.85 ATOM 627 HE2 LYS 37 -0.174 -31.728 12.362 1.00 64.03 ATOM 628 NZ LYS 37 -1.172 -31.528 14.198 1.00 61.14 ATOM 629 HZ1 LYS 37 -2.011 -31.111 13.754 1.00 73.24 ATOM 630 HZ2 LYS 37 -1.031 -31.081 15.126 1.00 54.30 ATOM 631 HZ3 LYS 37 -1.337 -32.546 14.340 1.00 12.13 ATOM 632 C LYS 37 0.134 -26.931 11.887 1.00 54.01 ATOM 633 O LYS 37 -0.763 -27.560 11.328 1.00 71.10 ATOM 634 N ILE 38 -0.105 -25.990 12.799 1.00 74.24 ATOM 635 HN ILE 38 0.653 -25.586 13.271 1.00 36.85 ATOM 636 CA ILE 38 -1.464 -25.539 13.118 1.00 25.13 ATOM 637 HA ILE 38 -2.068 -26.412 13.327 1.00 31.21 ATOM 638 CB ILE 38 -1.468 -24.624 14.371 1.00 72.15 ATOM 639 HB ILE 38 -0.838 -23.769 14.162 1.00 50.31 ATOM 640 CG1 ILE 38 -0.897 -25.373 15.584 1.00 44.11 ATOM 641 HG11 ILE 38 -0.923 -24.724 16.447 1.00 36.85 ATOM 642 HG12 ILE 38 0.128 -25.647 15.380 1.00 72.51 ATOM 643 CG2 ILE 38 -2.876 -24.104 14.666 1.00 10.01 ATOM 644 HG21 ILE 38 -3.539 -24.936 14.857 1.00 32.34 ATOM 645 HG22 ILE 38 -3.241 -23.543 13.816 1.00 75.42 ATOM 646 HG23 ILE 38 -2.850 -23.460 15.534 1.00 72.34 ATOM 647 CD1 ILE 38 -1.651 -26.637 15.932 1.00 34.13 ATOM 648 HD11 ILE 38 -2.688 -26.399 16.116 1.00 45.10 ATOM 649 HD12 ILE 38 -1.222 -27.076 16.820 1.00 52.54 ATOM 650 HD13 ILE 38 -1.582 -27.338 15.114 1.00 22.21 ATOM 651 C ILE 38 -2.081 -24.772 11.936 1.00 54.22 ATOM 652 O ILE 38 -3.188 -25.079 11.488 1.00 53.25 ATOM 653 N ALA 39 -1.341 -23.787 11.428 1.00 72.01 ATOM 654 HN ALA 39 -0.462 -23.605 11.824 1.00 36.85 ATOM 655 CA ALA 39 -1.793 -22.962 10.303 1.00 65.11 ATOM 656 HA ALA 39 -2.686 -22.438 10.617 1.00 31.31 ATOM 657 CB ALA 39 -0.731 -21.920 9.962 1.00 30.10 ATOM 658 HB1 ALA 39 0.172 -22.417 9.635 1.00 70.40 ATOM 659 HB2 ALA 39 -0.514 -21.325 10.837 1.00 64.22 ATOM 660 HB3 ALA 39 -1.094 -21.278 9.172 1.00 52.33 ATOM 661 C ALA 39 -2.126 -23.811 9.065 1.00 4.54 ATOM 662 O ALA 39 -3.117 -23.560 8.377 1.00 31.02 ATOM 663 N GLU 40 -1.299 -24.821 8.792 1.00 62.04 ATOM 664 HN GLU 40 -0.525 -24.971 9.374 1.00 36.85 ATOM 665 CA GLU 40 -1.510 -25.716 7.646 1.00 1.14 ATOM 666 HA GLU 40 -1.536 -25.105 6.754 1.00 41.52 ATOM 667 CB GLU 40 -0.349 -26.714 7.527 1.00 61.50 ATOM 668 HB1 GLU 40 -0.550 -27.384 6.702 1.00 36.85 ATOM 669 HB2 GLU 40 -0.292 -27.291 8.439 1.00 43.24 ATOM 670 CG GLU 40 1.011 -26.062 7.293 1.00 51.12 ATOM 671 HG1 GLU 40 1.277 -25.489 8.170 1.00 36.85 ATOM 672 HG2 GLU 40 0.936 -25.397 6.444 1.00 11.03 ATOM 673 CD GLU 40 2.107 -27.081 7.022 1.00 72.13 ATOM 674 OE1 GLU 40 2.326 -27.423 5.839 1.00 21.41 ATOM 675 OE2 GLU 40 2.746 -27.554 7.987 1.00 54.31 ATOM 676 C GLU 40 -2.844 -26.475 7.757 1.00 42.32 ATOM 677 O GLU 40 -3.418 -26.895 6.751 1.00 13.00 ATOM 678 N LEU 41 -3.335 -26.644 8.984 1.00 52.33 ATOM 679 HN LEU 41 -2.826 -26.306 9.752 1.00 36.85 ATOM 680 CA LEU 41 -4.616 -27.320 9.221 1.00 63.22 ATOM 681 HA LEU 41 -4.731 -28.088 8.470 1.00 41.01 ATOM 682 CB LEU 41 -4.614 -27.983 10.609 1.00 31.40 ATOM 683 HB1 LEU 41 -5.593 -28.408 10.784 1.00 36.85 ATOM 684 HB2 LEU 41 -4.439 -27.214 11.350 1.00 11.52 ATOM 685 CG LEU 41 -3.567 -29.092 10.808 1.00 74.50 ATOM 686 HG LEU 41 -2.580 -28.670 10.672 1.00 61.01 ATOM 687 CD1 LEU 41 -3.641 -29.656 12.225 1.00 2.13 ATOM 688 HD11 LEU 41 -2.887 -30.420 12.350 1.00 52.01 ATOM 689 HD12 LEU 41 -4.619 -30.085 12.393 1.00 4.53 ATOM 690 HD13 LEU 41 -3.470 -28.863 12.939 1.00 3.25 ATOM 691 CD2 LEU 41 -3.752 -30.202 9.774 1.00 41.02 ATOM 692 HD21 LEU 41 -4.745 -30.617 9.862 1.00 45.15 ATOM 693 HD22 LEU 41 -3.021 -30.980 9.945 1.00 34.45 ATOM 694 HD23 LEU 41 -3.617 -29.798 8.782 1.00 31.24 ATOM 695 C LEU 41 -5.802 -26.347 9.105 1.00 1.40 ATOM 696 O LEU 41 -6.946 -26.715 9.383 1.00 54.13 ATOM 697 N MET 42 -5.523 -25.107 8.690 1.00 33.12 ATOM 698 HN MET 42 -4.591 -24.872 8.499 1.00 36.85 ATOM 699 CA MET 42 -6.566 -24.084 8.515 1.00 73.34 ATOM 700 HA MET 42 -7.502 -24.496 8.866 1.00 11.12 ATOM 701 CB MET 42 -6.226 -22.837 9.351 1.00 11.32 ATOM 702 HB1 MET 42 -7.067 -22.160 9.324 1.00 36.85 ATOM 703 HB2 MET 42 -5.368 -22.347 8.910 1.00 21.44 ATOM 704 CG MET 42 -5.900 -23.138 10.809 1.00 63.30 ATOM 705 HG1 MET 42 -5.065 -23.824 10.844 1.00 36.85 ATOM 706 HG2 MET 42 -6.761 -23.602 11.268 1.00 33.34 ATOM 707 SD MET 42 -5.471 -21.661 11.755 1.00 71.14 ATOM 708 CE MET 42 -7.031 -20.780 11.760 1.00 1.03 ATOM 709 HE1 MET 42 -7.795 -21.397 12.209 1.00 2.11 ATOM 710 HE2 MET 42 -7.312 -20.539 10.746 1.00 21.54 ATOM 711 HE3 MET 42 -6.925 -19.868 12.330 1.00 1.30 ATOM 712 C MET 42 -6.723 -23.689 7.028 1.00 52.13 ATOM 713 O MET 42 -6.164 -22.682 6.580 1.00 0.01 ATOM 714 N PRO 43 -7.471 -24.489 6.233 1.00 50.04 ATOM 715 CA PRO 43 -7.693 -24.211 4.806 1.00 40.34 ATOM 716 HA PRO 43 -6.767 -23.957 4.310 1.00 34.14 ATOM 717 CB PRO 43 -8.225 -25.550 4.246 1.00 51.03 ATOM 718 HB1 PRO 43 -7.613 -25.859 3.409 1.00 36.85 ATOM 719 HB2 PRO 43 -9.247 -25.426 3.913 1.00 64.45 ATOM 720 CG PRO 43 -8.141 -26.535 5.374 1.00 65.41 ATOM 721 HG1 PRO 43 -7.225 -27.106 5.297 1.00 36.85 ATOM 722 HG2 PRO 43 -8.996 -27.196 5.350 1.00 63.42 ATOM 723 CD PRO 43 -8.147 -25.727 6.641 1.00 45.21 ATOM 724 HD1 PRO 43 -7.596 -26.235 7.418 1.00 36.85 ATOM 725 HD2 PRO 43 -9.160 -25.529 6.961 1.00 33.53 ATOM 726 C PRO 43 -8.714 -23.084 4.576 1.00 31.03 ATOM 727 O PRO 43 -9.914 -23.262 4.806 1.00 4.13 ATOM 728 N GLY 44 -8.233 -21.927 4.125 1.00 4.32 ATOM 729 HN GLY 44 -7.273 -21.843 3.955 1.00 36.85 ATOM 730 CA GLY 44 -9.116 -20.789 3.881 1.00 23.54 ATOM 731 HA1 GLY 44 -9.959 -21.120 3.293 1.00 36.85 ATOM 732 HA2 GLY 44 -8.574 -20.043 3.318 1.00 43.12 ATOM 733 C GLY 44 -9.633 -20.151 5.167 1.00 73.40 ATOM 734 O GLY 44 -10.843 -20.013 5.365 1.00 60.11 ATOM 735 N ALA 45 -8.709 -19.761 6.044 1.00 2.35 ATOM 736 HN ALA 45 -7.765 -19.893 5.827 1.00 36.85 ATOM 737 CA ALA 45 -9.061 -19.138 7.325 1.00 3.01 ATOM 738 HA ALA 45 -10.135 -19.202 7.447 1.00 64.11 ATOM 739 CB ALA 45 -8.412 -19.899 8.474 1.00 54.44 ATOM 740 HB1 ALA 45 -7.336 -19.827 8.395 1.00 44.03 ATOM 741 HB2 ALA 45 -8.705 -20.939 8.429 1.00 54.25 ATOM 742 HB3 ALA 45 -8.733 -19.478 9.416 1.00 74.15 ATOM 743 C ALA 45 -8.647 -17.660 7.367 1.00 10.44 ATOM 744 O ALA 45 -7.622 -17.273 6.806 1.00 71.52 ATOM 745 N SER 46 -9.451 -16.842 8.042 1.00 34.44 ATOM 746 HN SER 46 -10.256 -17.211 8.462 1.00 36.85 ATOM 747 CA SER 46 -9.172 -15.405 8.178 1.00 1.14 ATOM 748 HA SER 46 -8.238 -15.198 7.676 1.00 34.42 ATOM 749 CB SER 46 -10.283 -14.583 7.508 1.00 61.32 ATOM 750 HB1 SER 46 -10.066 -13.529 7.623 1.00 36.85 ATOM 751 HB2 SER 46 -11.229 -14.807 7.977 1.00 11.35 ATOM 752 OG SER 46 -10.384 -14.877 6.120 1.00 25.21 ATOM 753 HG SER 46 -10.821 -15.733 6.008 1.00 61.43 ATOM 754 C SER 46 -9.030 -15.001 9.654 1.00 73.42 ATOM 755 O SER 46 -9.007 -15.855 10.543 1.00 73.50 ATOM 756 N GLY 47 -8.955 -13.693 9.907 1.00 12.25 ATOM 757 HN GLY 47 -9.079 -13.056 9.170 1.00 36.85 ATOM 758 CA GLY 47 -8.690 -13.181 11.251 1.00 20.11 ATOM 759 HA1 GLY 47 -8.746 -12.103 11.217 1.00 36.85 ATOM 760 HA2 GLY 47 -7.682 -13.460 11.529 1.00 54.42 ATOM 761 C GLY 47 -9.648 -13.679 12.337 1.00 4.13 ATOM 762 O GLY 47 -9.214 -14.026 13.441 1.00 64.43 ATOM 763 N ALA 48 -10.948 -13.706 12.043 1.00 20.22 ATOM 764 HN ALA 48 -11.244 -13.436 11.147 1.00 36.85 ATOM 765 CA ALA 48 -11.948 -14.138 13.030 1.00 64.31 ATOM 766 HA ALA 48 -11.815 -13.528 13.913 1.00 1.21 ATOM 767 CB ALA 48 -13.358 -13.902 12.505 1.00 72.35 ATOM 768 HB1 ALA 48 -13.475 -12.860 12.241 1.00 23.13 ATOM 769 HB2 ALA 48 -14.077 -14.161 13.270 1.00 14.54 ATOM 770 HB3 ALA 48 -13.527 -14.514 11.632 1.00 62.01 ATOM 771 C ALA 48 -11.761 -15.612 13.422 1.00 23.33 ATOM 772 O ALA 48 -11.831 -15.961 14.603 1.00 43.34 ATOM 773 N GLU 49 -11.511 -16.468 12.429 1.00 44.32 ATOM 774 HN GLU 49 -11.502 -16.134 11.509 1.00 36.85 ATOM 775 CA GLU 49 -11.259 -17.894 12.673 1.00 14.22 ATOM 776 HA GLU 49 -12.121 -18.296 13.185 1.00 45.40 ATOM 777 CB GLU 49 -11.072 -18.654 11.343 1.00 31.41 ATOM 778 HB1 GLU 49 -10.768 -19.668 11.565 1.00 36.85 ATOM 779 HB2 GLU 49 -10.286 -18.172 10.779 1.00 51.32 ATOM 780 CG GLU 49 -12.323 -18.716 10.459 1.00 35.14 ATOM 781 HG1 GLU 49 -13.157 -19.049 11.063 1.00 36.85 ATOM 782 HG2 GLU 49 -12.151 -19.435 9.670 1.00 33.40 ATOM 783 CD GLU 49 -12.685 -17.380 9.822 1.00 21.24 ATOM 784 OE1 GLU 49 -13.441 -16.599 10.437 1.00 12.15 ATOM 785 OE2 GLU 49 -12.211 -17.103 8.702 1.00 73.02 ATOM 786 C GLU 49 -10.024 -18.093 13.566 1.00 13.10 ATOM 787 O GLU 49 -10.054 -18.867 14.523 1.00 54.35 ATOM 788 N VAL 50 -8.941 -17.385 13.244 1.00 3.24 ATOM 789 HN VAL 50 -8.960 -16.828 12.437 1.00 36.85 ATOM 790 CA VAL 50 -7.718 -17.423 14.057 1.00 31.34 ATOM 791 HA VAL 50 -7.357 -18.442 14.063 1.00 64.22 ATOM 792 CB VAL 50 -6.615 -16.518 13.455 1.00 21.41 ATOM 793 HB VAL 50 -6.994 -15.505 13.412 1.00 31.15 ATOM 794 CG1 VAL 50 -5.367 -16.516 14.336 1.00 34.12 ATOM 795 HG11 VAL 50 -4.983 -17.522 14.421 1.00 40.34 ATOM 796 HG12 VAL 50 -5.617 -16.143 15.320 1.00 25.03 ATOM 797 HG13 VAL 50 -4.614 -15.881 13.894 1.00 50.40 ATOM 798 CG2 VAL 50 -6.272 -16.957 12.031 1.00 70.32 ATOM 799 HG21 VAL 50 -5.508 -16.307 11.624 1.00 71.05 ATOM 800 HG22 VAL 50 -7.156 -16.900 11.412 1.00 24.14 ATOM 801 HG23 VAL 50 -5.907 -17.974 12.043 1.00 21.34 ATOM 802 C VAL 50 -7.993 -16.986 15.506 1.00 21.51 ATOM 803 O VAL 50 -7.482 -17.582 16.458 1.00 73.12 ATOM 804 N LYS 51 -8.799 -15.936 15.665 1.00 11.41 ATOM 805 HN LYS 51 -9.135 -15.466 14.871 1.00 36.85 ATOM 806 CA LYS 51 -9.199 -15.468 16.995 1.00 21.43 ATOM 807 HA LYS 51 -8.299 -15.258 17.556 1.00 64.41 ATOM 808 CB LYS 51 -10.031 -14.182 16.890 1.00 33.51 ATOM 809 HB1 LYS 51 -10.910 -14.379 16.292 1.00 36.85 ATOM 810 HB2 LYS 51 -9.437 -13.423 16.399 1.00 13.51 ATOM 811 CG LYS 51 -10.482 -13.632 18.240 1.00 13.04 ATOM 812 HG1 LYS 51 -9.607 -13.420 18.838 1.00 36.85 ATOM 813 HG2 LYS 51 -11.084 -14.379 18.737 1.00 13.21 ATOM 814 CD LYS 51 -11.305 -12.354 18.095 1.00 40.32 ATOM 815 HD1 LYS 51 -12.155 -12.552 17.456 1.00 36.85 ATOM 816 HD2 LYS 51 -10.688 -11.587 17.646 1.00 72.33 ATOM 817 CE LYS 51 -11.805 -11.855 19.446 1.00 12.02 ATOM 818 HE1 LYS 51 -10.951 -11.635 20.071 1.00 36.85 ATOM 819 HE2 LYS 51 -12.396 -12.632 19.909 1.00 63.24 ATOM 820 NZ LYS 51 -12.639 -10.629 19.321 1.00 32.42 ATOM 821 HZ1 LYS 51 -13.427 -10.796 18.659 1.00 52.55 ATOM 822 HZ2 LYS 51 -12.064 -9.837 18.967 1.00 22.44 ATOM 823 HZ3 LYS 51 -13.031 -10.370 20.249 1.00 2.42 ATOM 824 C LYS 51 -9.993 -16.550 17.737 1.00 52.55 ATOM 825 O LYS 51 -9.795 -16.767 18.934 1.00 21.22 ATOM 826 N GLY 52 -10.886 -17.230 17.019 1.00 35.20 ATOM 827 HN GLY 52 -11.033 -16.984 16.079 1.00 36.85 ATOM 828 CA GLY 52 -11.645 -18.330 17.606 1.00 74.13 ATOM 829 HA1 GLY 52 -12.321 -18.722 16.860 1.00 36.85 ATOM 830 HA2 GLY 52 -12.226 -17.952 18.436 1.00 0.30 ATOM 831 C GLY 52 -10.748 -19.459 18.100 1.00 50.45 ATOM 832 O GLY 52 -10.918 -19.963 19.213 1.00 3.34 ATOM 833 N VAL 53 -9.781 -19.846 17.268 1.00 71.00 ATOM 834 HN VAL 53 -9.732 -19.435 16.376 1.00 36.85 ATOM 835 CA VAL 53 -8.796 -20.868 17.635 1.00 23.04 ATOM 836 HA VAL 53 -9.331 -21.786 17.837 1.00 2.11 ATOM 837 CB VAL 53 -7.801 -21.129 16.474 1.00 62.34 ATOM 838 HB VAL 53 -7.305 -20.196 16.240 1.00 10.11 ATOM 839 CG1 VAL 53 -6.728 -22.142 16.880 1.00 61.10 ATOM 840 HG11 VAL 53 -6.187 -21.772 17.739 1.00 43.21 ATOM 841 HG12 VAL 53 -6.039 -22.290 16.060 1.00 75.14 ATOM 842 HG13 VAL 53 -7.196 -23.085 17.129 1.00 34.21 ATOM 843 CG2 VAL 53 -8.549 -21.596 15.223 1.00 61.21 ATOM 844 HG21 VAL 53 -7.845 -21.757 14.418 1.00 64.23 ATOM 845 HG22 VAL 53 -9.264 -20.842 14.928 1.00 31.13 ATOM 846 HG23 VAL 53 -9.069 -22.520 15.436 1.00 12.21 ATOM 847 C VAL 53 -8.012 -20.460 18.893 1.00 2.53 ATOM 848 O VAL 53 -7.910 -21.226 19.853 1.00 12.00 ATOM 849 N CYS 54 -7.470 -19.241 18.882 1.00 5.13 ATOM 850 HN CYS 54 -7.588 -18.677 18.088 1.00 36.85 ATOM 851 CA CYS 54 -6.695 -18.721 20.019 1.00 64.33 ATOM 852 HA CYS 54 -5.863 -19.390 20.184 1.00 51.41 ATOM 853 CB CYS 54 -6.148 -17.324 19.697 1.00 13.41 ATOM 854 HB1 CYS 54 -6.975 -16.659 19.496 1.00 36.85 ATOM 855 HB2 CYS 54 -5.519 -17.383 18.821 1.00 44.30 ATOM 856 SG CYS 54 -5.162 -16.590 21.025 1.00 32.21 ATOM 857 HG CYS 54 -5.963 -15.835 21.767 1.00 63.23 ATOM 858 C CYS 54 -7.537 -18.656 21.302 1.00 2.24 ATOM 859 O CYS 54 -7.071 -19.019 22.385 1.00 20.32 ATOM 860 N THR 55 -8.782 -18.197 21.175 1.00 44.12 ATOM 861 HN THR 55 -9.109 -17.945 20.285 1.00 36.85 ATOM 862 CA THR 55 -9.677 -18.061 22.331 1.00 64.01 ATOM 863 HA THR 55 -9.154 -17.488 23.086 1.00 23.43 ATOM 864 CB THR 55 -10.974 -17.298 21.962 1.00 64.42 ATOM 865 HB THR 55 -11.526 -17.885 21.239 1.00 65.31 ATOM 866 OG1 THR 55 -10.651 -16.024 21.378 1.00 51.42 ATOM 867 HG1 THR 55 -10.866 -16.043 20.435 1.00 51.44 ATOM 868 CG2 THR 55 -11.855 -17.085 23.192 1.00 63.41 ATOM 869 HG21 THR 55 -12.743 -16.541 22.909 1.00 62.13 ATOM 870 HG22 THR 55 -11.310 -16.520 23.936 1.00 4.24 ATOM 871 HG23 THR 55 -12.137 -18.043 23.605 1.00 11.43 ATOM 872 C THR 55 -10.048 -19.429 22.922 1.00 62.45 ATOM 873 O THR 55 -9.885 -19.660 24.121 1.00 12.44 ATOM 874 N GLU 56 -10.534 -20.340 22.079 1.00 22.30 ATOM 875 HN GLU 56 -10.650 -20.105 21.131 1.00 36.85 ATOM 876 CA GLU 56 -10.897 -21.688 22.535 1.00 64.23 ATOM 877 HA GLU 56 -11.611 -21.568 23.340 1.00 40.41 ATOM 878 CB GLU 56 -11.565 -22.496 21.410 1.00 33.35 ATOM 879 HB1 GLU 56 -11.468 -23.551 21.630 1.00 36.85 ATOM 880 HB2 GLU 56 -11.057 -22.286 20.480 1.00 72.23 ATOM 881 CG GLU 56 -13.049 -22.184 21.225 1.00 32.44 ATOM 882 HG1 GLU 56 -13.434 -22.792 20.417 1.00 36.85 ATOM 883 HG2 GLU 56 -13.156 -21.139 20.967 1.00 52.41 ATOM 884 CD GLU 56 -13.865 -22.469 22.482 1.00 1.54 ATOM 885 OE1 GLU 56 -13.948 -23.649 22.889 1.00 11.41 ATOM 886 OE2 GLU 56 -14.428 -21.524 23.066 1.00 54.11 ATOM 887 C GLU 56 -9.685 -22.447 23.090 1.00 22.41 ATOM 888 O GLU 56 -9.811 -23.179 24.070 1.00 44.10 ATOM 889 N ALA 57 -8.516 -22.267 22.469 1.00 11.54 ATOM 890 HN ALA 57 -8.488 -21.717 21.658 1.00 36.85 ATOM 891 CA ALA 57 -7.275 -22.882 22.965 1.00 73.41 ATOM 892 HA ALA 57 -7.384 -23.956 22.891 1.00 51.41 ATOM 893 CB ALA 57 -6.088 -22.464 22.101 1.00 74.33 ATOM 894 HB1 ALA 57 -5.194 -22.960 22.452 1.00 31.24 ATOM 895 HB2 ALA 57 -5.953 -21.394 22.163 1.00 54.42 ATOM 896 HB3 ALA 57 -6.273 -22.743 21.074 1.00 55.14 ATOM 897 C ALA 57 -7.021 -22.508 24.433 1.00 14.50 ATOM 898 O ALA 57 -6.729 -23.370 25.266 1.00 11.35 ATOM 899 N GLY 58 -7.153 -21.218 24.742 1.00 3.24 ATOM 900 HN GLY 58 -7.323 -20.569 24.025 1.00 36.85 ATOM 901 CA GLY 58 -7.040 -20.759 26.120 1.00 30.52 ATOM 902 HA1 GLY 58 -7.087 -19.680 26.130 1.00 36.85 ATOM 903 HA2 GLY 58 -6.084 -21.070 26.517 1.00 51.55 ATOM 904 C GLY 58 -8.148 -21.307 27.010 1.00 22.00 ATOM 905 O GLY 58 -7.907 -21.693 28.157 1.00 0.14 ATOM 906 N MET 59 -9.370 -21.352 26.481 1.00 65.22 ATOM 907 HN MET 59 -9.508 -21.014 25.569 1.00 36.85 ATOM 908 CA MET 59 -10.508 -21.885 27.231 1.00 41.55 ATOM 909 HA MET 59 -10.527 -21.377 28.186 1.00 41.43 ATOM 910 CB MET 59 -11.831 -21.603 26.506 1.00 50.44 ATOM 911 HB1 MET 59 -12.635 -22.065 27.060 1.00 36.85 ATOM 912 HB2 MET 59 -11.787 -22.046 25.521 1.00 50.25 ATOM 913 CG MET 59 -12.149 -20.117 26.351 1.00 13.25 ATOM 914 HG1 MET 59 -11.802 -19.785 25.384 1.00 36.85 ATOM 915 HG2 MET 59 -11.635 -19.563 27.124 1.00 73.05 ATOM 916 SD MET 59 -13.916 -19.776 26.479 1.00 53.43 ATOM 917 CE MET 59 -14.208 -20.279 28.177 1.00 52.42 ATOM 918 HE1 MET 59 -15.255 -20.162 28.413 1.00 61.03 ATOM 919 HE2 MET 59 -13.616 -19.664 28.839 1.00 14.32 ATOM 920 HE3 MET 59 -13.925 -21.314 28.300 1.00 20.44 ATOM 921 C MET 59 -10.362 -23.394 27.498 1.00 12.32 ATOM 922 O MET 59 -10.868 -23.896 28.501 1.00 34.55 ATOM 923 N TYR 60 -9.695 -24.119 26.596 1.00 75.23 ATOM 924 HN TYR 60 -9.399 -23.694 25.762 1.00 36.85 ATOM 925 CA TYR 60 -9.384 -25.537 26.828 1.00 0.30 ATOM 926 HA TYR 60 -10.314 -26.051 27.023 1.00 3.04 ATOM 927 CB TYR 60 -8.709 -26.172 25.602 1.00 13.24 ATOM 928 HB1 TYR 60 -8.289 -27.128 25.887 1.00 36.85 ATOM 929 HB2 TYR 60 -7.909 -25.526 25.268 1.00 65.05 ATOM 930 CG TYR 60 -9.637 -26.409 24.421 1.00 63.44 ATOM 931 CD1 TYR 60 -9.294 -25.985 23.139 1.00 5.11 ATOM 932 HD1 TYR 60 -8.355 -25.471 22.990 1.00 55.13 ATOM 933 CD2 TYR 60 -10.852 -27.068 24.587 1.00 73.22 ATOM 934 HD2 TYR 60 -11.138 -27.406 25.574 1.00 1.11 ATOM 935 CE1 TYR 60 -10.134 -26.208 22.065 1.00 1.21 ATOM 936 HE1 TYR 60 -9.848 -25.872 21.080 1.00 65.12 ATOM 937 CE2 TYR 60 -11.695 -27.292 23.516 1.00 34.43 ATOM 938 HE2 TYR 60 -12.636 -27.802 23.667 1.00 21.33 ATOM 939 CZ TYR 60 -11.332 -26.860 22.259 1.00 31.23 ATOM 940 OH TYR 60 -12.169 -27.086 21.193 1.00 60.14 ATOM 941 HH TYR 60 -11.650 -27.365 20.433 1.00 72.42 ATOM 942 C TYR 60 -8.474 -25.687 28.049 1.00 34.20 ATOM 943 O TYR 60 -8.736 -26.497 28.940 1.00 74.12 ATOM 944 N ALA 61 -7.406 -24.891 28.077 1.00 33.34 ATOM 945 HN ALA 61 -7.219 -24.318 27.301 1.00 36.85 ATOM 946 CA ALA 61 -6.497 -24.853 29.223 1.00 73.45 ATOM 947 HA ALA 61 -6.022 -25.823 29.301 1.00 12.41 ATOM 948 CB ALA 61 -5.408 -23.807 29.000 1.00 22.23 ATOM 949 HB1 ALA 61 -4.723 -23.814 29.836 1.00 55.45 ATOM 950 HB2 ALA 61 -5.858 -22.828 28.913 1.00 13.20 ATOM 951 HB3 ALA 61 -4.868 -24.035 28.093 1.00 14.55 ATOM 952 C ALA 61 -7.260 -24.565 30.525 1.00 55.32 ATOM 953 O ALA 61 -7.192 -25.338 31.479 1.00 54.45 ATOM 954 N LEU 62 -8.019 -23.468 30.541 1.00 10.04 ATOM 955 HN LEU 62 -8.066 -22.907 29.733 1.00 36.85 ATOM 956 CA LEU 62 -8.781 -23.068 31.732 1.00 20.01 ATOM 957 HA LEU 62 -8.072 -22.863 32.519 1.00 41.13 ATOM 958 CB LEU 62 -9.582 -21.787 31.446 1.00 30.04 ATOM 959 HB1 LEU 62 -10.189 -21.566 32.314 1.00 36.85 ATOM 960 HB2 LEU 62 -10.241 -21.981 30.610 1.00 43.42 ATOM 961 CG LEU 62 -8.740 -20.540 31.119 1.00 52.24 ATOM 962 HG LEU 62 -8.143 -20.741 30.241 1.00 1.43 ATOM 963 CD1 LEU 62 -9.643 -19.348 30.803 1.00 12.02 ATOM 964 HD11 LEU 62 -10.279 -19.138 31.651 1.00 75.03 ATOM 965 HD12 LEU 62 -10.257 -19.579 29.944 1.00 45.25 ATOM 966 HD13 LEU 62 -9.036 -18.481 30.585 1.00 22.14 ATOM 967 CD2 LEU 62 -7.786 -20.216 32.271 1.00 63.21 ATOM 968 HD21 LEU 62 -7.228 -19.321 32.037 1.00 61.31 ATOM 969 HD22 LEU 62 -7.100 -21.039 32.412 1.00 24.12 ATOM 970 HD23 LEU 62 -8.352 -20.062 33.179 1.00 60.31 ATOM 971 C LEU 62 -9.732 -24.179 32.211 1.00 2.34 ATOM 972 O LEU 62 -9.697 -24.583 33.375 1.00 54.14 ATOM 973 N ARG 63 -10.563 -24.688 31.300 1.00 25.13 ATOM 974 HN ARG 63 -10.486 -24.391 30.369 1.00 36.85 ATOM 975 CA ARG 63 -11.588 -25.679 31.654 1.00 33.21 ATOM 976 HA ARG 63 -12.172 -25.263 32.464 1.00 54.14 ATOM 977 CB ARG 63 -12.526 -25.934 30.455 1.00 54.32 ATOM 978 HB1 ARG 63 -12.802 -24.981 30.024 1.00 36.85 ATOM 979 HB2 ARG 63 -13.421 -26.421 30.815 1.00 33.14 ATOM 980 CG ARG 63 -11.926 -26.802 29.349 1.00 40.31 ATOM 981 HG1 ARG 63 -11.752 -27.794 29.742 1.00 36.85 ATOM 982 HG2 ARG 63 -10.986 -26.370 29.037 1.00 32.44 ATOM 983 CD ARG 63 -12.849 -26.907 28.131 1.00 34.25 ATOM 984 HD1 ARG 63 -13.867 -27.015 28.477 1.00 36.85 ATOM 985 HD2 ARG 63 -12.572 -27.782 27.563 1.00 30.02 ATOM 986 NE ARG 63 -12.766 -25.733 27.257 1.00 51.44 ATOM 987 HE ARG 63 -12.055 -25.095 27.436 1.00 72.23 ATOM 988 CZ ARG 63 -13.540 -25.527 26.218 1.00 60.13 ATOM 989 NH1 ARG 63 -14.560 -26.297 25.988 1.00 12.35 ATOM 990 HH11 ARG 63 -14.765 -27.052 26.606 1.00 61.43 ATOM 991 HH12 ARG 63 -15.140 -26.132 25.189 1.00 61.13 ATOM 992 NH2 ARG 63 -13.305 -24.529 25.425 1.00 11.42 ATOM 993 HH21 ARG 63 -12.541 -23.924 25.604 1.00 62.23 ATOM 994 HH22 ARG 63 -13.889 -24.372 24.624 1.00 41.42 ATOM 995 C ARG 63 -10.960 -27.000 32.145 1.00 72.52 ATOM 996 O ARG 63 -11.585 -27.759 32.889 1.00 4.23 ATOM 997 N GLU 64 -9.720 -27.268 31.732 1.00 22.43 ATOM 998 HN GLU 64 -9.275 -26.640 31.124 1.00 36.85 ATOM 999 CA GLU 64 -9.011 -28.489 32.147 1.00 54.21 ATOM 1000 HA GLU 64 -9.734 -29.150 32.604 1.00 51.13 ATOM 1001 CB GLU 64 -8.411 -29.193 30.924 1.00 52.15 ATOM 1002 HB1 GLU 64 -7.820 -30.035 31.258 1.00 36.85 ATOM 1003 HB2 GLU 64 -7.767 -28.497 30.405 1.00 65.13 ATOM 1004 CG GLU 64 -9.459 -29.703 29.941 1.00 73.42 ATOM 1005 HG1 GLU 64 -10.057 -28.866 29.606 1.00 36.85 ATOM 1006 HG2 GLU 64 -10.098 -30.412 30.450 1.00 54.01 ATOM 1007 CD GLU 64 -8.849 -30.383 28.728 1.00 22.11 ATOM 1008 OE1 GLU 64 -8.600 -29.693 27.719 1.00 33.44 ATOM 1009 OE2 GLU 64 -8.613 -31.609 28.776 1.00 1.54 ATOM 1010 C GLU 64 -7.907 -28.200 33.181 1.00 15.24 ATOM 1011 O GLU 64 -7.070 -29.061 33.459 1.00 41.33 ATOM 1012 N ARG 65 -7.911 -26.987 33.744 1.00 24.34 ATOM 1013 HN ARG 65 -8.578 -26.331 33.447 1.00 36.85 ATOM 1014 CA ARG 65 -6.952 -26.602 34.796 1.00 0.45 ATOM 1015 HA ARG 65 -7.133 -25.564 35.033 1.00 72.11 ATOM 1016 CB ARG 65 -7.193 -27.442 36.060 1.00 44.43 ATOM 1017 HB1 ARG 65 -6.460 -27.167 36.806 1.00 36.85 ATOM 1018 HB2 ARG 65 -7.061 -28.486 35.812 1.00 75.21 ATOM 1019 CG ARG 65 -8.580 -27.270 36.669 1.00 44.54 ATOM 1020 HG1 ARG 65 -8.668 -27.924 37.526 1.00 36.85 ATOM 1021 HG2 ARG 65 -9.323 -27.544 35.933 1.00 30.23 ATOM 1022 CD ARG 65 -8.837 -25.833 37.116 1.00 54.31 ATOM 1023 HD1 ARG 65 -8.891 -25.199 36.241 1.00 36.85 ATOM 1024 HD2 ARG 65 -8.017 -25.509 37.740 1.00 23.13 ATOM 1025 NE ARG 65 -10.085 -25.712 37.863 1.00 61.44 ATOM 1026 HE ARG 65 -10.876 -26.155 37.495 1.00 63.52 ATOM 1027 CZ ARG 65 -10.211 -25.065 38.991 1.00 22.01 ATOM 1028 NH1 ARG 65 -9.204 -24.444 39.518 1.00 52.03 ATOM 1029 HH11 ARG 65 -8.315 -24.451 39.062 1.00 64.12 ATOM 1030 HH12 ARG 65 -9.319 -23.959 40.382 1.00 44.11 ATOM 1031 NH2 ARG 65 -11.353 -25.040 39.591 1.00 71.23 ATOM 1032 HH21 ARG 65 -12.132 -25.515 39.195 1.00 30.15 ATOM 1033 HH22 ARG 65 -11.451 -24.550 40.454 1.00 2.22 ATOM 1034 C ARG 65 -5.486 -26.746 34.341 1.00 63.24 ATOM 1035 O ARG 65 -4.619 -27.153 35.117 1.00 40.13 ATOM 1036 N ARG 66 -5.213 -26.413 33.087 1.00 62.33 ATOM 1037 HN ARG 66 -5.942 -26.114 32.508 1.00 36.85 ATOM 1038 CA ARG 66 -3.851 -26.473 32.545 1.00 24.05 ATOM 1039 HA ARG 66 -3.251 -27.061 33.228 1.00 23.33 ATOM 1040 CB ARG 66 -3.861 -27.170 31.177 1.00 35.44 ATOM 1041 HB1 ARG 66 -2.892 -27.047 30.711 1.00 36.85 ATOM 1042 HB2 ARG 66 -4.613 -26.706 30.554 1.00 74.32 ATOM 1043 CG ARG 66 -4.164 -28.663 31.266 1.00 2.14 ATOM 1044 HG1 ARG 66 -5.125 -28.792 31.744 1.00 36.85 ATOM 1045 HG2 ARG 66 -3.400 -29.139 31.864 1.00 62.42 ATOM 1046 CD ARG 66 -4.201 -29.326 29.890 1.00 2.34 ATOM 1047 HD1 ARG 66 -4.194 -30.399 30.023 1.00 36.85 ATOM 1048 HD2 ARG 66 -3.320 -29.031 29.337 1.00 63.34 ATOM 1049 NE ARG 66 -5.393 -28.955 29.123 1.00 61.30 ATOM 1050 HE ARG 66 -6.259 -29.223 29.482 1.00 21.31 ATOM 1051 CZ ARG 66 -5.374 -28.328 27.976 1.00 2.55 ATOM 1052 NH1 ARG 66 -4.259 -27.916 27.463 1.00 51.30 ATOM 1053 HH11 ARG 66 -3.405 -28.069 27.941 1.00 50.34 ATOM 1054 HH12 ARG 66 -4.264 -27.452 26.572 1.00 24.33 ATOM 1055 NH2 ARG 66 -6.476 -28.107 27.345 1.00 50.01 ATOM 1056 HH21 ARG 66 -7.346 -28.413 27.727 1.00 61.43 ATOM 1057 HH22 ARG 66 -6.453 -27.634 26.465 1.00 63.12 ATOM 1058 C ARG 66 -3.229 -25.071 32.441 1.00 64.24 ATOM 1059 O ARG 66 -3.865 -24.131 31.969 1.00 65.43 ATOM 1060 N VAL 67 -1.981 -24.948 32.888 1.00 34.42 ATOM 1061 HN VAL 67 -1.503 -25.751 33.181 1.00 36.85 ATOM 1062 CA VAL 67 -1.295 -23.650 32.957 1.00 2.42 ATOM 1063 HA VAL 67 -2.021 -22.908 33.263 1.00 1.10 ATOM 1064 CB VAL 67 -0.163 -23.681 34.018 1.00 24.25 ATOM 1065 HB VAL 67 0.603 -24.362 33.673 1.00 0.34 ATOM 1066 CG1 VAL 67 0.476 -22.302 34.186 1.00 42.25 ATOM 1067 HG11 VAL 67 1.270 -22.360 34.915 1.00 51.45 ATOM 1068 HG12 VAL 67 -0.270 -21.597 34.521 1.00 62.32 ATOM 1069 HG13 VAL 67 0.880 -21.973 33.239 1.00 0.41 ATOM 1070 CG2 VAL 67 -0.690 -24.202 35.353 1.00 24.54 ATOM 1071 HG21 VAL 67 -1.087 -25.199 35.220 1.00 14.33 ATOM 1072 HG22 VAL 67 -1.472 -23.549 35.712 1.00 71.04 ATOM 1073 HG23 VAL 67 0.115 -24.231 36.073 1.00 14.54 ATOM 1074 C VAL 67 -0.698 -23.228 31.602 1.00 22.51 ATOM 1075 O VAL 67 -0.763 -22.054 31.225 1.00 53.25 ATOM 1076 N HIS 68 -0.103 -24.177 30.877 1.00 73.23 ATOM 1077 HN HIS 68 -0.095 -25.099 31.211 1.00 36.85 ATOM 1078 CA HIS 68 0.531 -23.871 29.587 1.00 22.24 ATOM 1079 HA HIS 68 0.572 -22.793 29.496 1.00 23.43 ATOM 1080 CB HIS 68 1.971 -24.414 29.541 1.00 32.54 ATOM 1081 HB1 HIS 68 2.540 -23.960 30.341 1.00 36.85 ATOM 1082 HB2 HIS 68 2.419 -24.142 28.597 1.00 51.52 ATOM 1083 CG HIS 68 2.091 -25.906 29.686 1.00 42.15 ATOM 1084 ND1 HIS 68 2.421 -26.524 30.871 1.00 70.11 ATOM 1085 HD1 HIS 68 2.595 -26.073 31.724 1.00 43.51 ATOM 1086 CD2 HIS 68 1.953 -26.902 28.777 1.00 4.42 ATOM 1087 HD2 HIS 68 1.691 -26.787 27.733 1.00 73.01 ATOM 1088 CE1 HIS 68 2.480 -27.827 30.687 1.00 21.22 ATOM 1089 HE1 HIS 68 2.712 -28.561 31.444 1.00 33.34 ATOM 1090 NE2 HIS 68 2.201 -28.083 29.427 1.00 3.12 ATOM 1091 HE2 HIS 68 2.007 -28.975 29.069 1.00 36.85 ATOM 1092 C HIS 68 -0.284 -24.420 28.404 1.00 73.23 ATOM 1093 O HIS 68 -0.672 -25.589 28.391 1.00 64.42 ATOM 1094 N VAL 69 -0.526 -23.569 27.410 1.00 75.21 ATOM 1095 HN VAL 69 -0.192 -22.652 27.483 1.00 36.85 ATOM 1096 CA VAL 69 -1.262 -23.962 26.203 1.00 71.14 ATOM 1097 HA VAL 69 -2.074 -24.613 26.503 1.00 3.35 ATOM 1098 CB VAL 69 -1.868 -22.728 25.487 1.00 12.01 ATOM 1099 HB VAL 69 -1.053 -22.112 25.124 1.00 10.22 ATOM 1100 CG1 VAL 69 -2.712 -23.154 24.284 1.00 52.41 ATOM 1101 HG11 VAL 69 -2.097 -23.708 23.588 1.00 55.34 ATOM 1102 HG12 VAL 69 -3.108 -22.278 23.791 1.00 40.34 ATOM 1103 HG13 VAL 69 -3.528 -23.778 24.618 1.00 40.34 ATOM 1104 CG2 VAL 69 -2.694 -21.892 26.467 1.00 3.11 ATOM 1105 HG21 VAL 69 -3.104 -21.032 25.954 1.00 44.31 ATOM 1106 HG22 VAL 69 -2.062 -21.557 27.278 1.00 22.04 ATOM 1107 HG23 VAL 69 -3.500 -22.493 26.864 1.00 61.42 ATOM 1108 C VAL 69 -0.346 -24.720 25.229 1.00 71.33 ATOM 1109 O VAL 69 0.783 -24.299 24.964 1.00 23.45 ATOM 1110 N THR 70 -0.839 -25.834 24.698 1.00 62.35 ATOM 1111 HN THR 70 -1.771 -26.076 24.887 1.00 36.85 ATOM 1112 CA THR 70 -0.035 -26.707 23.832 1.00 42.14 ATOM 1113 HA THR 70 0.998 -26.400 23.906 1.00 12.20 ATOM 1114 CB THR 70 -0.136 -28.186 24.280 1.00 42.14 ATOM 1115 HB THR 70 0.620 -28.757 23.759 1.00 15.21 ATOM 1116 OG1 THR 70 -1.429 -28.715 23.954 1.00 64.15 ATOM 1117 HG1 THR 70 -2.097 -28.305 24.521 1.00 25.34 ATOM 1118 CG2 THR 70 0.100 -28.326 25.782 1.00 24.21 ATOM 1119 HG21 THR 70 1.091 -27.973 26.028 1.00 14.21 ATOM 1120 HG22 THR 70 0.007 -29.363 26.067 1.00 71.13 ATOM 1121 HG23 THR 70 -0.634 -27.740 26.318 1.00 71.02 ATOM 1122 C THR 70 -0.472 -26.623 22.365 1.00 61.41 ATOM 1123 O THR 70 -1.514 -26.048 22.045 1.00 15.31 ATOM 1124 N GLN 71 0.332 -27.208 21.477 1.00 14.45 ATOM 1125 HN GLN 71 1.190 -27.577 21.781 1.00 36.85 ATOM 1126 CA GLN 71 -0.024 -27.308 20.059 1.00 21.34 ATOM 1127 HA GLN 71 -0.137 -26.306 19.673 1.00 21.22 ATOM 1128 CB GLN 71 1.099 -28.021 19.287 1.00 51.14 ATOM 1129 HB1 GLN 71 1.246 -29.003 19.715 1.00 36.85 ATOM 1130 HB2 GLN 71 2.012 -27.452 19.395 1.00 11.22 ATOM 1131 CG GLN 71 0.815 -28.185 17.798 1.00 15.14 ATOM 1132 HG1 GLN 71 0.668 -27.205 17.364 1.00 36.85 ATOM 1133 HG2 GLN 71 -0.089 -28.764 17.680 1.00 52.54 ATOM 1134 CD GLN 71 1.932 -28.884 17.045 1.00 52.55 ATOM 1135 OE1 GLN 71 2.645 -29.720 17.588 1.00 24.12 ATOM 1136 NE2 GLN 71 2.102 -28.541 15.784 1.00 53.54 ATOM 1137 HE21 GLN 71 1.508 -27.863 15.406 1.00 42.22 ATOM 1138 HE22 GLN 71 2.820 -28.979 15.282 1.00 41.33 ATOM 1139 C GLN 71 -1.351 -28.064 19.883 1.00 42.31 ATOM 1140 O GLN 71 -2.161 -27.738 19.012 1.00 23.51 ATOM 1141 N GLU 72 -1.570 -29.058 20.747 1.00 23.53 ATOM 1142 HN GLU 72 -0.899 -29.237 21.436 1.00 36.85 ATOM 1143 CA GLU 72 -2.782 -29.885 20.713 1.00 31.40 ATOM 1144 HA GLU 72 -2.823 -30.370 19.749 1.00 73.32 ATOM 1145 CB GLU 72 -2.704 -30.961 21.808 1.00 41.21 ATOM 1146 HB1 GLU 72 -3.585 -31.587 21.747 1.00 36.85 ATOM 1147 HB2 GLU 72 -2.684 -30.476 22.775 1.00 44.21 ATOM 1148 CG GLU 72 -1.470 -31.856 21.691 1.00 53.33 ATOM 1149 HG1 GLU 72 -0.589 -31.227 21.649 1.00 36.85 ATOM 1150 HG2 GLU 72 -1.540 -32.423 20.774 1.00 64.10 ATOM 1151 CD GLU 72 -1.319 -32.827 22.854 1.00 44.12 ATOM 1152 OE1 GLU 72 -1.958 -33.902 22.831 1.00 71.03 ATOM 1153 OE2 GLU 72 -0.541 -32.529 23.788 1.00 22.21 ATOM 1154 C GLU 72 -4.046 -29.032 20.890 1.00 64.21 ATOM 1155 O GLU 72 -5.062 -29.260 20.230 1.00 35.41 ATOM 1156 N ASP 73 -3.970 -28.038 21.774 1.00 1.12 ATOM 1157 HN ASP 73 -3.144 -27.926 22.294 1.00 36.85 ATOM 1158 CA ASP 73 -5.083 -27.110 21.997 1.00 54.34 ATOM 1159 HA ASP 73 -5.935 -27.691 22.323 1.00 54.51 ATOM 1160 CB ASP 73 -4.721 -26.108 23.097 1.00 24.41 ATOM 1161 HB1 ASP 73 -5.491 -25.349 23.158 1.00 36.85 ATOM 1162 HB2 ASP 73 -3.779 -25.638 22.854 1.00 3.02 ATOM 1163 CG ASP 73 -4.597 -26.774 24.450 1.00 62.32 ATOM 1164 OD1 ASP 73 -3.463 -26.967 24.935 1.00 73.34 ATOM 1165 OD2 ASP 73 -5.639 -27.120 25.030 1.00 0.35 ATOM 1166 C ASP 73 -5.461 -26.357 20.713 1.00 61.01 ATOM 1167 O ASP 73 -6.635 -26.298 20.336 1.00 24.51 ATOM 1168 N PHE 74 -4.458 -25.793 20.041 1.00 42.00 ATOM 1169 HN PHE 74 -3.543 -25.903 20.374 1.00 36.85 ATOM 1170 CA PHE 74 -4.686 -25.016 18.821 1.00 33.12 ATOM 1171 HA PHE 74 -5.379 -24.222 19.073 1.00 65.15 ATOM 1172 CB PHE 74 -3.378 -24.379 18.332 1.00 11.51 ATOM 1173 HB1 PHE 74 -3.521 -23.996 17.330 1.00 36.85 ATOM 1174 HB2 PHE 74 -2.603 -25.132 18.314 1.00 5.03 ATOM 1175 CG PHE 74 -2.906 -23.240 19.200 1.00 32.34 ATOM 1176 CD1 PHE 74 -1.973 -23.448 20.207 1.00 74.21 ATOM 1177 HD1 PHE 74 -1.572 -24.439 20.364 1.00 55.30 ATOM 1178 CD2 PHE 74 -3.411 -21.959 19.014 1.00 30.11 ATOM 1179 HD2 PHE 74 -4.137 -21.783 18.232 1.00 53.55 ATOM 1180 CE1 PHE 74 -1.552 -22.401 21.004 1.00 71.24 ATOM 1181 HE1 PHE 74 -0.824 -22.574 21.783 1.00 50.53 ATOM 1182 CE2 PHE 74 -2.991 -20.911 19.807 1.00 35.01 ATOM 1183 HE2 PHE 74 -3.391 -19.919 19.651 1.00 54.30 ATOM 1184 CZ PHE 74 -2.063 -21.132 20.806 1.00 45.32 ATOM 1185 HZ PHE 74 -1.736 -20.314 21.431 1.00 44.21 ATOM 1186 C PHE 74 -5.319 -25.862 17.707 1.00 54.33 ATOM 1187 O PHE 74 -6.352 -25.489 17.164 1.00 44.24 ATOM 1188 N GLU 75 -4.713 -27.002 17.375 1.00 3.04 ATOM 1189 HN GLU 75 -3.901 -27.273 17.857 1.00 36.85 ATOM 1190 CA GLU 75 -5.239 -27.858 16.301 1.00 34.31 ATOM 1191 HA GLU 75 -5.318 -27.235 15.419 1.00 31.30 ATOM 1192 CB GLU 75 -4.269 -29.009 15.986 1.00 41.12 ATOM 1193 HB1 GLU 75 -3.378 -28.593 15.538 1.00 36.85 ATOM 1194 HB2 GLU 75 -4.737 -29.672 15.272 1.00 42.43 ATOM 1195 CG GLU 75 -3.850 -29.834 17.195 1.00 33.34 ATOM 1196 HG1 GLU 75 -4.713 -30.369 17.567 1.00 36.85 ATOM 1197 HG2 GLU 75 -3.483 -29.167 17.962 1.00 43.02 ATOM 1198 CD GLU 75 -2.757 -30.834 16.857 1.00 15.41 ATOM 1199 OE1 GLU 75 -3.042 -32.048 16.805 1.00 4.32 ATOM 1200 OE2 GLU 75 -1.609 -30.409 16.614 1.00 72.52 ATOM 1201 C GLU 75 -6.648 -28.390 16.624 1.00 61.34 ATOM 1202 O GLU 75 -7.472 -28.564 15.722 1.00 52.31 ATOM 1203 N MET 76 -6.933 -28.639 17.906 1.00 20.41 ATOM 1204 HN MET 76 -6.215 -28.602 18.575 1.00 36.85 ATOM 1205 CA MET 76 -8.300 -28.975 18.324 1.00 55.41 ATOM 1206 HA MET 76 -8.618 -29.832 17.746 1.00 33.45 ATOM 1207 CB MET 76 -8.362 -29.330 19.814 1.00 30.04 ATOM 1208 HB1 MET 76 -9.382 -29.218 20.156 1.00 36.85 ATOM 1209 HB2 MET 76 -7.735 -28.641 20.362 1.00 42.23 ATOM 1210 CG MET 76 -7.908 -30.744 20.144 1.00 43.23 ATOM 1211 HG1 MET 76 -6.840 -30.814 19.991 1.00 36.85 ATOM 1212 HG2 MET 76 -8.413 -31.436 19.486 1.00 2.13 ATOM 1213 SD MET 76 -8.281 -31.189 21.851 1.00 51.40 ATOM 1214 CE MET 76 -10.048 -30.869 21.904 1.00 31.23 ATOM 1215 HE1 MET 76 -10.240 -29.836 21.640 1.00 62.51 ATOM 1216 HE2 MET 76 -10.417 -31.058 22.900 1.00 65.10 ATOM 1217 HE3 MET 76 -10.554 -31.518 21.202 1.00 30.51 ATOM 1218 C MET 76 -9.257 -27.810 18.039 1.00 34.13 ATOM 1219 O MET 76 -10.324 -27.993 17.450 1.00 12.45 ATOM 1220 N ALA 77 -8.864 -26.613 18.462 1.00 63.31 ATOM 1221 HN ALA 77 -8.017 -26.532 18.952 1.00 36.85 ATOM 1222 CA ALA 77 -9.658 -25.410 18.213 1.00 12.51 ATOM 1223 HA ALA 77 -10.635 -25.560 18.655 1.00 11.24 ATOM 1224 CB ALA 77 -9.012 -24.212 18.894 1.00 41.41 ATOM 1225 HB1 ALA 77 -8.032 -24.040 18.472 1.00 63.12 ATOM 1226 HB2 ALA 77 -8.915 -24.409 19.954 1.00 72.13 ATOM 1227 HB3 ALA 77 -9.626 -23.336 18.747 1.00 13.35 ATOM 1228 C ALA 77 -9.832 -25.166 16.705 1.00 54.04 ATOM 1229 O ALA 77 -10.894 -24.745 16.254 1.00 70.31 ATOM 1230 N VAL 78 -8.788 -25.456 15.929 1.00 21.51 ATOM 1231 HN VAL 78 -7.951 -25.736 16.349 1.00 36.85 ATOM 1232 CA VAL 78 -8.857 -25.363 14.466 1.00 54.15 ATOM 1233 HA VAL 78 -9.106 -24.341 14.211 1.00 54.23 ATOM 1234 CB VAL 78 -7.498 -25.713 13.803 1.00 60.10 ATOM 1235 HB VAL 78 -7.182 -26.682 14.171 1.00 44.40 ATOM 1236 CG1 VAL 78 -7.638 -25.806 12.284 1.00 71.41 ATOM 1237 HG11 VAL 78 -8.336 -26.592 12.031 1.00 0.02 ATOM 1238 HG12 VAL 78 -6.676 -26.026 11.844 1.00 3.32 ATOM 1239 HG13 VAL 78 -8.003 -24.864 11.896 1.00 43.53 ATOM 1240 CG2 VAL 78 -6.430 -24.688 14.185 1.00 20.14 ATOM 1241 HG21 VAL 78 -6.735 -23.705 13.854 1.00 33.10 ATOM 1242 HG22 VAL 78 -5.492 -24.949 13.714 1.00 11.11 ATOM 1243 HG23 VAL 78 -6.301 -24.682 15.258 1.00 61.32 ATOM 1244 C VAL 78 -9.944 -26.288 13.907 1.00 54.23 ATOM 1245 O VAL 78 -10.775 -25.868 13.106 1.00 60.51 ATOM 1246 N ALA 79 -9.936 -27.547 14.337 1.00 52.31 ATOM 1247 HN ALA 79 -9.226 -27.839 14.951 1.00 36.85 ATOM 1248 CA ALA 79 -10.958 -28.508 13.917 1.00 60.21 ATOM 1249 HA ALA 79 -10.920 -28.582 12.838 1.00 41.04 ATOM 1250 CB ALA 79 -10.656 -29.885 14.498 1.00 74.31 ATOM 1251 HB1 ALA 79 -9.664 -30.196 14.199 1.00 22.44 ATOM 1252 HB2 ALA 79 -11.380 -30.597 14.132 1.00 41.35 ATOM 1253 HB3 ALA 79 -10.708 -29.841 15.576 1.00 50.51 ATOM 1254 C ALA 79 -12.363 -28.045 14.333 1.00 12.42 ATOM 1255 O ALA 79 -13.320 -28.148 13.562 1.00 3.52 ATOM 1256 N LYS 80 -12.469 -27.517 15.554 1.00 51.30 ATOM 1257 HN LYS 80 -11.664 -27.455 16.112 1.00 36.85 ATOM 1258 CA LYS 80 -13.747 -27.035 16.095 1.00 25.04 ATOM 1259 HA LYS 80 -14.474 -27.827 15.975 1.00 25.33 ATOM 1260 CB LYS 80 -13.597 -26.725 17.596 1.00 0.33 ATOM 1261 HB1 LYS 80 -12.887 -25.918 17.714 1.00 36.85 ATOM 1262 HB2 LYS 80 -13.211 -27.606 18.104 1.00 62.55 ATOM 1263 CG LYS 80 -14.904 -26.314 18.273 1.00 32.22 ATOM 1264 HG1 LYS 80 -15.618 -27.121 18.178 1.00 36.85 ATOM 1265 HG2 LYS 80 -15.289 -25.433 17.780 1.00 31.34 ATOM 1266 CD LYS 80 -14.702 -26.000 19.754 1.00 43.52 ATOM 1267 HD1 LYS 80 -14.006 -25.177 19.844 1.00 36.85 ATOM 1268 HD2 LYS 80 -14.292 -26.871 20.246 1.00 44.21 ATOM 1269 CE LYS 80 -16.008 -25.619 20.439 1.00 53.23 ATOM 1270 HE1 LYS 80 -16.709 -26.434 20.334 1.00 36.85 ATOM 1271 HE2 LYS 80 -16.408 -24.735 19.962 1.00 71.52 ATOM 1272 NZ LYS 80 -15.807 -25.336 21.883 1.00 12.14 ATOM 1273 HZ1 LYS 80 -16.704 -25.059 22.328 1.00 34.22 ATOM 1274 HZ2 LYS 80 -15.122 -24.565 22.006 1.00 14.42 ATOM 1275 HZ3 LYS 80 -15.443 -26.180 22.366 1.00 70.21 ATOM 1276 C LYS 80 -14.253 -25.782 15.347 1.00 41.13 ATOM 1277 O LYS 80 -15.452 -25.632 15.106 1.00 44.15 ATOM 1278 N VAL 81 -13.336 -24.884 14.981 1.00 62.42 ATOM 1279 HN VAL 81 -12.392 -25.063 15.175 1.00 36.85 ATOM 1280 CA VAL 81 -13.702 -23.630 14.300 1.00 11.33 ATOM 1281 HA VAL 81 -14.644 -23.297 14.715 1.00 41.14 ATOM 1282 CB VAL 81 -12.650 -22.517 14.562 1.00 75.44 ATOM 1283 HB VAL 81 -11.683 -22.881 14.237 1.00 41.25 ATOM 1284 CG1 VAL 81 -12.975 -21.253 13.761 1.00 12.24 ATOM 1285 HG11 VAL 81 -13.959 -20.897 14.030 1.00 34.51 ATOM 1286 HG12 VAL 81 -12.951 -21.479 12.705 1.00 24.42 ATOM 1287 HG13 VAL 81 -12.244 -20.488 13.980 1.00 5.35 ATOM 1288 CG2 VAL 81 -12.565 -22.204 16.058 1.00 75.43 ATOM 1289 HG21 VAL 81 -13.518 -21.830 16.405 1.00 54.15 ATOM 1290 HG22 VAL 81 -11.801 -21.459 16.230 1.00 4.32 ATOM 1291 HG23 VAL 81 -12.315 -23.105 16.600 1.00 33.42 ATOM 1292 C VAL 81 -13.881 -23.822 12.782 1.00 43.52 ATOM 1293 O VAL 81 -14.920 -23.457 12.222 1.00 44.40 ATOM 1294 N MET 82 -12.875 -24.394 12.119 1.00 61.40 ATOM 1295 HN MET 82 -12.086 -24.691 12.616 1.00 36.85 ATOM 1296 CA MET 82 -12.921 -24.588 10.661 1.00 13.34 ATOM 1297 HA MET 82 -13.149 -23.631 10.211 1.00 73.21 ATOM 1298 CB MET 82 -11.559 -25.067 10.139 1.00 11.00 ATOM 1299 HB1 MET 82 -11.627 -25.223 9.071 1.00 36.85 ATOM 1300 HB2 MET 82 -11.316 -26.007 10.615 1.00 64.12 ATOM 1301 CG MET 82 -10.419 -24.089 10.406 1.00 21.53 ATOM 1302 HG1 MET 82 -9.505 -24.504 10.006 1.00 36.85 ATOM 1303 HG2 MET 82 -10.315 -23.962 11.473 1.00 74.34 ATOM 1304 SD MET 82 -10.689 -22.468 9.659 1.00 14.44 ATOM 1305 CE MET 82 -10.796 -22.897 7.924 1.00 51.41 ATOM 1306 HE1 MET 82 -9.895 -23.410 7.620 1.00 62.21 ATOM 1307 HE2 MET 82 -10.911 -21.996 7.338 1.00 44.22 ATOM 1308 HE3 MET 82 -11.648 -23.540 7.766 1.00 25.25 ATOM 1309 C MET 82 -14.013 -25.591 10.257 1.00 11.03 ATOM 1310 O MET 82 -14.604 -25.472 9.183 1.00 52.45 ATOM 1311 N GLN 83 -14.268 -26.579 11.122 1.00 33.24 ATOM 1312 HN GLN 83 -13.718 -26.652 11.932 1.00 36.85 ATOM 1313 CA GLN 83 -15.349 -27.560 10.908 1.00 1.14 ATOM 1314 HA GLN 83 -15.301 -28.273 11.716 1.00 54.44 ATOM 1315 CB GLN 83 -16.711 -26.851 10.958 1.00 71.13 ATOM 1316 HB1 GLN 83 -17.489 -27.576 10.759 1.00 36.85 ATOM 1317 HB2 GLN 83 -16.735 -26.091 10.191 1.00 71.04 ATOM 1318 CG GLN 83 -17.005 -26.191 12.300 1.00 34.14 ATOM 1319 HG1 GLN 83 -16.151 -25.594 12.589 1.00 36.85 ATOM 1320 HG2 GLN 83 -17.168 -26.963 13.039 1.00 61.40 ATOM 1321 CD GLN 83 -18.231 -25.296 12.258 1.00 33.32 ATOM 1322 OE1 GLN 83 -19.349 -25.736 12.502 1.00 64.15 ATOM 1323 NE2 GLN 83 -18.033 -24.032 11.939 1.00 71.23 ATOM 1324 HE21 GLN 83 -17.118 -23.740 11.748 1.00 61.22 ATOM 1325 HE22 GLN 83 -18.810 -23.439 11.906 1.00 63.11 ATOM 1326 C GLN 83 -15.202 -28.325 9.579 1.00 20.54 ATOM 1327 O GLN 83 -16.177 -28.873 9.057 1.00 51.30 ATOM 1328 N LYS 84 -13.983 -28.374 9.041 1.00 64.51 ATOM 1329 HN LYS 84 -13.248 -27.921 9.497 1.00 36.85 ATOM 1330 CA LYS 84 -13.719 -29.083 7.782 1.00 2.45 ATOM 1331 HA LYS 84 -14.644 -29.544 7.466 1.00 23.55 ATOM 1332 CB LYS 84 -13.262 -28.104 6.686 1.00 64.22 ATOM 1333 HB1 LYS 84 -13.042 -28.666 5.788 1.00 36.85 ATOM 1334 HB2 LYS 84 -12.358 -27.612 7.019 1.00 73.24 ATOM 1335 CG LYS 84 -14.291 -27.026 6.337 1.00 52.31 ATOM 1336 HG1 LYS 84 -14.401 -26.358 7.180 1.00 36.85 ATOM 1337 HG2 LYS 84 -15.239 -27.501 6.130 1.00 42.12 ATOM 1338 CD LYS 84 -13.875 -26.212 5.112 1.00 32.43 ATOM 1339 HD1 LYS 84 -14.634 -25.467 4.915 1.00 36.85 ATOM 1340 HD2 LYS 84 -13.793 -26.875 4.263 1.00 64.54 ATOM 1341 CE LYS 84 -12.536 -25.509 5.311 1.00 42.53 ATOM 1342 HE1 LYS 84 -11.780 -26.251 5.531 1.00 36.85 ATOM 1343 HE2 LYS 84 -12.620 -24.825 6.143 1.00 34.20 ATOM 1344 NZ LYS 84 -12.130 -24.752 4.100 1.00 51.31 ATOM 1345 HZ1 LYS 84 -12.844 -24.031 3.871 1.00 44.52 ATOM 1346 HZ2 LYS 84 -12.032 -25.397 3.289 1.00 21.24 ATOM 1347 HZ3 LYS 84 -11.220 -24.279 4.258 1.00 74.11 ATOM 1348 C LYS 84 -12.662 -30.189 7.955 1.00 43.41 ATOM 1349 O LYS 84 -11.509 -29.918 8.297 1.00 61.33 ATOM 1350 N ASP 85 -13.069 -31.431 7.712 1.00 23.31 ATOM 1351 HN ASP 85 -14.019 -31.588 7.531 1.00 36.85 ATOM 1352 CA ASP 85 -12.152 -32.575 7.712 1.00 1.31 ATOM 1353 HA ASP 85 -11.141 -32.194 7.653 1.00 44.13 ATOM 1354 CB ASP 85 -12.311 -33.380 9.009 1.00 43.54 ATOM 1355 HB1 ASP 85 -13.292 -33.836 9.025 1.00 36.85 ATOM 1356 HB2 ASP 85 -12.220 -32.710 9.852 1.00 23.21 ATOM 1357 CG ASP 85 -11.265 -34.473 9.156 1.00 10.40 ATOM 1358 OD1 ASP 85 -10.060 -34.150 9.145 1.00 2.32 ATOM 1359 OD2 ASP 85 -11.639 -35.654 9.315 1.00 15.34 ATOM 1360 C ASP 85 -12.419 -33.451 6.478 1.00 42.31 ATOM 1361 O ASP 85 -13.277 -34.337 6.497 1.00 63.02 ATOM 1362 N SER 86 -11.694 -33.172 5.395 1.00 10.21 ATOM 1363 HN SER 86 -10.957 -32.526 5.473 1.00 36.85 ATOM 1364 HA SER 86 -12.767 -34.509 4.221 1.00 13.33 ATOM 1365 CB SER 86 -12.388 -32.746 3.064 1.00 63.23 ATOM 1366 HB1 SER 86 -13.330 -32.315 3.373 1.00 36.85 ATOM 1367 HB2 SER 86 -12.509 -33.211 2.097 1.00 2.33 ATOM 1368 OG SER 86 -11.427 -31.703 2.947 1.00 24.24 ATOM 1369 HG SER 86 -10.547 -32.092 2.857 1.00 11.22 ATOM 1370 CA SER 86 -11.952 -33.807 4.090 1.00 51.44 ATOM 1371 C SER 86 -10.727 -34.577 3.563 1.00 64.31 ATOM 1372 OT1 SER 86 -10.729 -35.827 3.632 1.00 36.85 ATOM 1373 OT2 SER 86 -9.769 -33.934 3.077 1.00 36.85 ATOM 1374 OH2 TIP3 1 -16.450 -32.329 0.423 1.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -15.581 -32.559 0.069 1.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -17.034 -33.024 0.095 1.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.842 -41.138 3.756 1.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -17.208 -40.708 4.561 1.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -17.596 -41.219 3.167 1.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -15.300 -43.382 4.247 1.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -15.923 -42.646 4.091 1.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -14.438 -42.984 4.148 1.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -12.384 -35.865 0.964 1.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -12.011 -35.164 0.388 1.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -11.653 -36.091 1.560 1.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -16.235 -29.270 3.785 1.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -17.045 -28.913 3.368 1.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -16.437 -29.260 4.752 1.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -16.760 -29.469 6.454 1.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -16.526 -30.398 6.668 1.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -16.667 -29.003 7.300 1.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -19.873 -32.599 5.307 1.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -18.945 -32.901 5.417 1.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -20.342 -32.974 6.089 1.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -17.218 -33.438 5.362 1.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -17.025 -32.905 4.553 1.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -16.581 -34.186 5.313 1.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -16.003 -31.947 7.340 1.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -16.013 -32.375 8.227 1.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -16.508 -32.563 6.768 1.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -17.616 -39.701 5.926 1.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -16.918 -39.911 6.592 1.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -17.730 -38.730 6.003 1.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -14.301 -37.636 2.020 1.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -14.564 -37.957 1.136 1.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -13.783 -36.831 1.830 1.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -11.810 -29.767 1.198 1.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -12.685 -29.357 1.364 1.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -11.797 -30.547 1.791 1.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -10.829 -29.088 4.003 1.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -10.363 -29.287 4.848 1.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -11.126 -29.957 3.687 1.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -11.090 -34.092 -0.697 1.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -10.233 -34.486 -0.985 1.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -11.683 -34.241 -1.462 1.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -16.601 -31.965 3.194 1.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -16.398 -31.025 3.374 1.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -16.537 -32.043 2.225 1.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -15.399 -35.455 5.412 1.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -15.288 -36.398 5.144 1.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -14.499 -35.175 5.694 1.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -15.459 -38.034 4.498 1.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -15.838 -38.923 4.553 1.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -15.124 -37.972 3.578 1.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -20.209 -30.265 3.639 1.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -20.726 -30.918 3.119 1.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -19.886 -30.780 4.404 1.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -18.534 -28.585 2.292 1.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -19.064 -27.777 2.316 1.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -19.116 -29.264 2.702 1.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -14.352 -28.830 1.816 1.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -14.813 -28.979 2.670 1.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -15.035 -29.049 1.140 1.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -13.427 -26.275 1.788 1.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -12.474 -26.498 1.792 1.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -13.874 -27.150 1.805 1.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -20.207 -37.364 10.418 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -19.785 -38.060 10.949 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -20.101 -37.676 9.496 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -15.596 -33.042 9.823 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -16.128 -33.545 10.471 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -14.761 -33.519 9.784 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -19.456 -35.236 12.074 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -19.649 -36.016 11.513 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -20.313 -34.766 12.132 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -15.986 -30.071 18.739 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -16.666 -29.779 18.105 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -16.451 -30.068 19.599 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -16.774 -34.425 11.957 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -17.606 -34.923 11.811 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -17.031 -33.715 12.571 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -13.558 -33.246 19.621 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -12.820 -32.649 19.358 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -14.355 -32.740 19.418 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -19.394 -38.747 8.106 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -19.362 -39.533 7.539 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -19.015 -38.034 7.544 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -12.854 -35.828 18.986 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -11.950 -35.579 18.691 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -13.290 -34.970 19.166 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -14.539 -36.076 12.144 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -15.288 -35.441 12.174 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -14.908 -36.899 12.537 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -18.541 -29.198 18.119 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -18.310 -29.148 19.069 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -19.120 -29.987 18.058 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -18.016 -37.043 6.464 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -17.549 -36.554 7.186 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -17.730 -36.594 5.656 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -18.698 -32.888 13.417 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -18.987 -33.800 13.224 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -18.973 -32.380 12.623 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -20.116 -31.370 18.598 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -20.318 -31.025 19.496 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -20.895 -31.887 18.363 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -16.330 -35.696 8.064 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -15.557 -35.980 8.597 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -15.938 -35.346 7.246 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.208 -39.423 10.517 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -18.635 -39.313 9.644 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -17.275 -39.162 10.361 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -17.435 -40.421 12.953 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -17.881 -40.113 12.134 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -17.488 -41.379 12.904 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -11.411 -31.692 18.972 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -11.970 -30.953 18.645 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -11.031 -32.085 18.153 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -15.524 -38.803 10.221 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -15.362 -38.780 11.190 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -15.042 -38.018 9.880 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -19.545 -31.935 10.951 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -19.271 -31.042 10.636 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -19.496 -32.487 10.160 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -17.815 -29.648 20.783 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -18.766 -29.853 20.925 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -17.426 -29.693 21.684 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -11.832 -36.520 11.972 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -12.782 -36.340 12.149 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -11.698 -36.207 11.048 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -10.324 -35.414 18.047 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -10.353 -36.199 17.460 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -9.597 -35.614 18.676 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -9.934 -36.702 13.916 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -9.458 -37.381 13.394 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -10.743 -36.525 13.382 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -22.397 -31.745 14.116 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -21.628 -31.862 14.717 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -22.807 -30.920 14.416 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -20.164 -31.892 15.633 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -19.673 -31.806 16.462 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -19.500 -32.217 14.990 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -21.609 -33.464 12.051 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -21.029 -32.766 11.684 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -22.102 -33.008 12.770 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -21.402 -33.657 7.330 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -22.347 -33.555 7.202 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -21.329 -34.196 8.149 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -21.602 -34.995 9.686 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -21.811 -34.544 10.528 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -21.245 -35.862 9.959 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -15.516 -38.502 12.985 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -16.237 -39.173 13.023 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -15.210 -38.432 13.921 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -21.285 -32.688 2.972 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -21.531 -33.587 2.753 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -20.792 -32.771 3.820 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -16.982 -29.755 23.398 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -17.623 -29.187 23.898 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -16.950 -30.575 23.904 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -18.725 -29.576 9.797 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -17.823 -29.607 9.425 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -18.854 -28.650 10.026 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.664 -27.378 7.957 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.279 -28.258 8.051 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -21.390 -27.504 7.312 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -13.394 -32.804 27.497 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -12.414 -32.781 27.417 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -13.664 -33.518 26.875 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -9.733 -33.953 14.281 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -9.695 -33.578 13.373 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -9.866 -34.911 14.136 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -13.381 -30.103 18.047 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -14.307 -30.066 18.381 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -13.465 -29.935 17.104 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -15.585 -39.896 7.698 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -15.638 -39.608 8.633 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -14.652 -39.819 7.481 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -11.575 -33.934 21.492 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -10.981 -33.252 21.150 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -12.375 -33.852 20.936 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -14.164 -36.518 9.486 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -14.198 -36.286 10.438 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -13.227 -36.319 9.224 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -15.024 -38.441 15.636 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -14.239 -38.262 16.204 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -15.614 -38.941 16.204 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -20.551 -30.018 20.982 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.984 -30.193 21.849 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -20.781 -29.085 20.787 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -24.078 -28.057 17.352 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -24.969 -28.266 17.063 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -23.503 -28.460 16.666 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -18.989 -26.547 18.741 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -19.398 -25.946 18.101 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -18.838 -27.372 18.235 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -15.132 -27.718 23.270 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -14.272 -28.151 23.193 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -15.773 -28.462 23.307 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -22.564 -28.986 15.255 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -21.625 -29.189 15.347 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -22.580 -28.157 14.721 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -16.300 -29.335 34.428 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.883 -29.461 35.312 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.884 -30.007 33.869 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -17.719 -27.444 31.672 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -18.436 -27.470 32.344 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -17.728 -28.346 31.279 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -15.047 -31.049 32.193 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -15.245 -31.332 31.280 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -14.650 -31.852 32.608 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -19.661 -27.549 33.609 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -20.387 -26.908 33.405 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -20.113 -28.288 34.029 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -11.203 -29.825 26.746 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -11.129 -30.794 26.640 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -10.278 -29.536 26.910 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -9.213 -30.684 42.211 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -9.258 -31.508 41.691 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -9.402 -29.979 41.552 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -21.751 -25.908 33.215 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -21.674 -25.013 33.626 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -22.568 -25.865 32.715 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -16.115 -27.254 28.234 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.777 -27.935 28.849 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -16.438 -26.539 28.829 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -9.767 -28.996 40.146 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -10.631 -28.513 40.179 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -9.091 -28.281 40.172 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -11.812 -32.168 41.576 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -12.676 -32.641 41.665 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -11.764 -31.615 42.374 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -7.944 -33.154 26.594 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -7.500 -32.499 26.015 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -8.189 -32.637 27.391 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -15.628 -31.511 29.460 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -15.426 -32.364 29.047 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -15.040 -30.882 29.001 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -12.417 -30.058 36.903 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -12.475 -30.124 35.921 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -11.532 -30.421 37.115 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -13.842 -33.379 32.912 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -12.932 -33.075 33.147 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -13.792 -34.335 32.968 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -18.644 -28.080 24.709 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -19.474 -27.790 24.274 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -18.476 -27.396 25.382 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -12.571 -29.855 34.131 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -12.155 -29.051 33.745 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -13.399 -29.952 33.633 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -21.588 -29.815 23.508 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -21.678 -30.033 24.439 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -21.428 -28.849 23.502 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -10.669 -32.534 27.128 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -10.064 -32.250 27.850 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -10.096 -33.052 26.534 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -14.377 -32.913 41.789 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -14.829 -32.402 41.105 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -14.997 -32.904 42.545 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -14.702 -28.773 30.266 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -14.120 -29.255 29.643 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -14.886 -29.421 30.971 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -15.190 -29.538 36.950 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -14.253 -29.786 37.026 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -15.484 -29.423 37.874 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -17.233 -26.782 34.731 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -18.154 -26.912 34.425 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -16.832 -27.679 34.659 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -11.441 -32.358 33.645 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -10.483 -32.363 33.861 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -11.718 -31.439 33.818 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -18.069 -26.012 26.562 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -17.437 -26.556 27.079 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -18.441 -25.385 27.226 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -9.928 -30.691 38.037 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -9.174 -30.504 37.464 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -9.838 -30.041 38.776 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -16.182 -30.421 42.190 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -15.414 -30.168 42.729 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -16.592 -31.145 42.692 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -14.039 -30.329 44.173 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -14.134 -29.353 44.244 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -13.075 -30.464 44.057 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -13.371 -30.932 39.590 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -12.717 -31.350 40.182 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -12.902 -30.836 38.745 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -17.952 -14.943 1.151 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -17.838 -14.627 2.077 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -18.888 -15.146 1.085 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -13.571 -19.897 -1.060 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -13.468 -20.826 -0.767 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -12.672 -19.514 -0.966 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -13.072 -13.398 -2.709 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -13.297 -13.302 -3.659 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -13.350 -14.315 -2.488 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -11.828 -22.934 2.008 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -12.209 -22.411 2.738 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -12.468 -22.815 1.270 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -11.297 -15.789 0.718 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -10.883 -15.620 -0.160 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -11.050 -15.009 1.249 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -15.493 -18.070 -1.462 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -14.796 -18.763 -1.378 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -16.253 -18.541 -1.820 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -14.814 -20.236 1.914 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -14.198 -19.723 2.481 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -14.943 -19.672 1.139 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -16.598 -29.535 0.495 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -17.358 -29.226 1.029 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -16.732 -30.497 0.421 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -13.085 -22.168 4.346 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -14.040 -21.938 4.379 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -12.643 -21.410 4.769 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -12.564 -12.158 4.221 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -11.609 -12.209 4.410 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -12.608 -11.860 3.290 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -14.200 -15.718 -1.770 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -14.704 -16.561 -1.778 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -14.611 -15.204 -1.043 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -15.360 -14.539 0.454 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -16.337 -14.646 0.567 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -14.983 -14.982 1.229 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -14.094 -12.263 -0.391 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -14.650 -12.978 -0.009 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -13.732 -12.657 -1.215 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -11.612 -10.849 -7.978 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -11.649 -11.789 -7.703 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -11.607 -10.353 -7.127 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -15.001 -24.785 0.155 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -14.371 -25.272 0.733 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -15.585 -25.469 -0.186 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -13.844 -12.745 -5.283 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -13.959 -11.819 -4.965 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -14.645 -12.922 -5.788 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -17.408 -13.976 3.665 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -16.902 -13.169 3.792 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -17.430 -14.387 4.553 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -13.700 -16.882 1.523 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -12.831 -16.477 1.300 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -14.142 -16.976 0.668 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.753 -17.562 5.527 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -16.926 -18.091 5.500 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -18.464 -18.230 5.485 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -20.297 -22.381 5.047 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -20.446 -23.267 4.639 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -19.417 -22.450 5.455 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -13.376 -18.537 3.695 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -13.455 -17.865 2.978 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -12.818 -18.099 4.372 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -21.062 -24.911 4.331 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -20.857 -25.841 4.096 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -21.934 -24.964 4.758 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -22.820 -27.588 6.230 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -23.060 -26.637 6.136 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -23.668 -28.045 6.251 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -13.304 -10.034 -1.784 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -12.398 -10.422 -1.815 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -13.805 -10.658 -1.216 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -11.115 -11.662 -1.848 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -11.678 -12.371 -2.228 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -10.426 -12.143 -1.358 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -11.554 -13.321 -6.699 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -12.335 -13.094 -6.151 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -11.307 -14.224 -6.399 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -8.726 -18.776 -4.901 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -9.350 -19.482 -5.105 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -8.503 -18.923 -3.951 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -10.697 -15.702 -5.606 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -11.054 -16.323 -4.940 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -10.095 -16.250 -6.147 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -10.421 -13.250 1.842 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -9.891 -13.140 1.025 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -11.127 -12.568 1.762 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -11.945 -17.592 5.993 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -11.577 -18.492 5.904 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -12.076 -17.479 6.962 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -13.823 -22.335 0.268 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -14.323 -23.172 0.108 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -14.423 -21.797 0.817 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -15.790 -21.549 4.102 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -15.610 -21.098 3.244 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -16.654 -21.964 3.975 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -15.960 -5.776 -3.448 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -16.845 -6.139 -3.577 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -15.464 -6.502 -2.990 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -14.175 -10.217 -4.344 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -13.865 -10.184 -3.409 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -14.743 -9.442 -4.431 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -11.967 -11.098 7.572 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -12.511 -10.947 8.371 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -12.516 -11.688 7.022 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -19.520 -22.184 8.925 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -19.725 -21.911 9.845 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -19.717 -23.143 8.912 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -16.602 -21.660 13.122 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -15.963 -22.220 12.633 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -16.055 -20.975 13.528 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -18.591 -16.380 14.778 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -19.195 -16.636 14.049 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -17.926 -17.096 14.795 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -17.111 -11.966 16.168 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -17.518 -12.446 16.922 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -17.355 -12.500 15.385 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -17.048 -23.498 15.251 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -16.522 -24.312 15.107 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -16.955 -23.000 14.420 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -22.766 -23.740 13.511 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -23.658 -23.421 13.336 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -22.460 -24.093 12.647 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -18.914 -20.112 13.324 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -19.596 -20.670 13.755 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -18.213 -20.749 13.071 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -19.644 -17.554 12.447 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -19.534 -18.504 12.660 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -19.902 -17.549 11.497 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -13.890 -15.724 19.716 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -13.602 -15.809 18.785 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -14.497 -14.956 19.703 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -15.273 -17.059 12.508 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -15.888 -16.392 12.167 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -14.546 -17.070 11.848 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -18.036 -21.607 6.722 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -18.529 -21.780 7.562 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -17.115 -21.535 6.999 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -19.589 -19.684 5.587 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -18.958 -20.255 6.078 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -20.114 -20.317 5.062 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -20.355 -14.945 19.443 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -19.900 -15.295 18.651 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -20.928 -15.689 19.736 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -15.728 -15.311 9.913 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -15.709 -15.278 8.946 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -14.915 -15.816 10.150 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -18.665 -15.019 11.728 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -19.145 -15.811 12.033 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -18.397 -15.238 10.828 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -16.027 -12.587 10.313 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -16.296 -12.450 9.377 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -15.978 -13.562 10.402 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -17.687 -13.723 13.933 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -18.027 -13.922 13.031 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -17.897 -14.527 14.442 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -22.307 -26.624 13.877 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -21.629 -26.544 13.195 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -22.488 -25.706 14.139 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -20.825 -27.261 20.672 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -20.082 -26.957 20.103 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -21.630 -27.011 20.162 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -15.495 -19.096 5.388 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -15.684 -20.006 5.096 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -14.717 -18.833 4.858 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -21.024 -27.670 4.108 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -21.627 -27.758 4.870 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -20.756 -28.591 3.909 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -20.390 -22.202 11.527 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -20.497 -21.949 12.465 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -20.925 -23.014 11.437 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -20.531 -19.251 22.244 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -20.216 -19.873 22.932 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -19.864 -18.522 22.261 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -23.438 -24.956 5.869 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -24.245 -24.544 5.538 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -23.013 -24.250 6.408 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -19.363 -23.094 16.541 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -18.513 -23.268 16.067 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -19.083 -22.848 17.450 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -22.008 -22.955 7.075 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -21.778 -22.318 7.768 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -21.497 -22.647 6.289 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -15.132 -7.586 21.569 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -15.754 -7.935 20.895 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -14.475 -7.095 21.046 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -20.616 -22.123 14.289 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -20.191 -22.416 15.128 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -21.409 -22.696 14.213 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -21.438 -24.735 11.336 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -21.268 -24.840 10.373 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -20.664 -25.170 11.764 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -21.510 -22.479 19.972 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -22.205 -23.095 20.316 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -21.925 -21.586 20.041 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -20.792 -17.821 7.260 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -21.333 -17.377 6.602 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -20.348 -18.537 6.759 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -20.293 -16.986 9.831 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -21.027 -16.366 9.824 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -20.341 -17.422 8.951 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -21.523 -17.304 20.241 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -22.042 -18.061 19.928 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -21.039 -17.650 21.007 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -16.942 -18.551 14.376 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -17.692 -19.100 14.055 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -16.535 -18.198 13.560 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -18.645 -15.839 17.459 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -18.726 -15.972 16.486 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -18.215 -16.644 17.772 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -14.495 -11.563 21.262 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -14.775 -10.931 21.957 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -14.527 -12.435 21.713 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -12.704 -14.059 9.451 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -13.061 -14.062 8.545 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -12.915 -14.956 9.793 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -16.162 -12.827 7.580 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -16.559 -13.531 7.034 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -15.253 -12.736 7.228 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -22.538 -20.030 20.648 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -23.325 -19.809 21.155 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -21.789 -19.783 21.243 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -20.596 -24.747 8.719 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -21.127 -24.354 8.001 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -20.469 -25.685 8.439 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -13.429 -15.601 16.933 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -13.998 -16.284 16.514 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -12.784 -15.386 16.248 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -15.489 -13.476 19.405 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -16.440 -13.432 19.169 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -15.369 -12.753 20.050 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -13.612 -13.072 6.569 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -13.751 -14.043 6.585 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -13.327 -12.881 5.645 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -17.383 -15.001 6.260 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -18.046 -15.013 6.960 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -17.404 -15.921 5.898 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -18.857 -22.522 19.182 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -19.785 -22.518 19.499 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -18.412 -21.884 19.747 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -14.932 -16.666 22.228 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -14.566 -16.630 21.319 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -14.894 -17.614 22.465 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -21.285 -24.494 17.926 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -21.392 -23.769 18.565 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -20.737 -24.104 17.214 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -15.971 -22.471 25.122 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -16.250 -21.653 25.578 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -15.392 -22.151 24.382 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -14.960 -13.897 22.673 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -14.691 -14.073 23.587 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -15.095 -14.789 22.290 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -22.888 -26.368 19.143 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -22.404 -25.764 18.534 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -23.381 -26.973 18.538 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -19.461 -20.939 24.154 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -18.669 -21.374 24.493 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -19.923 -21.648 23.642 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -22.977 -24.440 21.121 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -22.862 -24.911 21.960 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -23.113 -25.154 20.460 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -20.617 -22.811 22.596 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -20.885 -22.704 21.664 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -21.168 -23.547 22.919 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -18.073 -13.338 18.383 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -18.157 -14.252 18.029 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -18.879 -13.215 18.907 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -18.851 -14.610 21.698 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -19.376 -14.664 20.869 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -19.263 -13.897 22.193 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -13.813 -8.796 17.694 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -14.737 -9.100 17.556 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -13.429 -8.808 16.807 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -11.681 -9.474 21.905 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -12.174 -9.311 22.739 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -11.484 -8.572 21.564 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -18.777 -16.364 27.166 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -18.955 -17.217 26.703 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -19.653 -15.987 27.306 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -16.564 -16.296 28.791 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -17.331 -16.381 28.186 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -16.912 -16.550 29.651 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -21.668 -23.414 34.275 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -20.761 -23.192 34.595 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -22.148 -22.587 34.343 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.166 -18.715 25.772 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -18.541 -18.322 25.122 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.574 -19.464 25.285 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -19.161 -22.649 35.013 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -18.569 -21.916 35.238 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -18.559 -23.339 34.668 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -14.333 -26.559 35.224 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -15.286 -26.546 35.411 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -14.284 -26.748 34.264 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -17.030 -14.398 26.042 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -17.648 -15.040 26.443 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -16.299 -14.956 25.689 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -16.983 -20.266 26.475 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -17.762 -19.680 26.379 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -16.222 -19.671 26.359 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -19.043 -24.236 28.391 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -18.723 -23.319 28.509 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -18.575 -24.741 29.091 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -13.632 -16.908 35.896 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -14.418 -17.092 35.374 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -13.430 -15.962 35.701 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -15.452 -12.428 27.136 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -16.068 -13.034 26.668 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -15.935 -11.597 27.191 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -14.838 -19.039 23.822 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -14.365 -19.117 24.669 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -14.720 -19.934 23.399 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -10.354 -11.227 27.352 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -10.450 -10.947 26.417 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -11.205 -11.672 27.554 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -15.062 -20.970 41.200 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -15.200 -21.850 41.621 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -15.021 -20.358 41.944 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -15.292 -22.938 39.149 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -15.126 -22.174 39.727 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -14.993 -22.638 38.264 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -20.883 -27.149 23.388 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -20.837 -27.179 22.402 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -21.412 -26.347 23.577 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -17.315 -22.064 28.578 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -17.283 -21.368 27.888 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -16.695 -22.732 28.269 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -16.432 -23.173 31.311 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -16.972 -22.518 30.844 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -15.809 -22.632 31.850 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.115 -25.232 40.268 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.860 -25.589 39.769 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.829 -24.444 39.743 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -16.591 -24.993 24.425 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -16.373 -24.065 24.691 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -17.194 -25.307 25.129 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -17.056 -17.643 24.472 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -16.372 -18.241 24.091 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -16.546 -16.873 24.782 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -10.790 -12.933 36.174 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -10.360 -12.472 36.899 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -10.441 -13.856 36.232 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -14.991 -15.827 24.910 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -14.169 -15.998 25.427 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -14.794 -16.188 24.019 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -10.577 -10.516 24.667 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -11.369 -9.934 24.692 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -10.608 -10.915 23.788 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -12.700 -16.032 26.496 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -11.809 -15.728 26.747 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -13.275 -15.713 27.224 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -17.135 -25.435 29.983 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -16.800 -24.688 30.530 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -17.357 -26.137 30.645 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -20.656 -24.658 26.098 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -20.462 -24.310 26.990 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -19.914 -25.252 25.914 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -12.531 -27.264 37.176 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -12.530 -28.228 37.008 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -13.175 -26.908 36.512 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -14.829 -21.615 32.913 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -13.971 -21.685 33.344 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -15.457 -21.466 33.652 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -17.016 -12.503 24.008 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.606 -13.027 23.296 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -17.189 -13.155 24.715 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -18.777 -17.247 22.364 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -18.703 -16.312 22.070 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -18.105 -17.329 23.068 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -14.538 -27.272 41.187 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -15.079 -26.491 40.938 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -14.981 -28.022 40.732 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -12.330 -11.926 34.040 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -11.680 -12.159 34.732 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -12.362 -10.967 34.057 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -14.778 -19.514 38.818 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -14.870 -20.005 39.662 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -15.511 -18.887 38.826 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -17.022 -24.102 34.059 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -16.975 -25.049 34.321 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -16.792 -24.104 33.114 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -16.452 -21.647 35.146 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -16.604 -22.585 34.896 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.770 -21.692 35.847 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -14.354 -21.579 36.960 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -13.396 -21.570 36.727 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -14.485 -20.745 37.451 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -14.978 -27.166 32.508 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -14.720 -27.595 31.674 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -15.949 -27.249 32.525 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -17.659 -30.009 30.753 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -17.674 -30.521 31.568 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -17.075 -30.519 30.161 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -22.232 -24.790 23.888 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -21.690 -24.699 24.713 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -23.126 -24.561 24.170 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.586 -29.388 39.771 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -16.083 -29.748 40.540 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -14.796 -29.974 39.704 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.066 -27.607 43.899 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -14.231 -27.492 42.937 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.366 -26.755 44.295 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -12.515 -23.215 41.488 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -11.705 -23.426 42.002 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -12.342 -22.337 41.125 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -15.096 -23.559 42.256 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -14.144 -23.595 42.001 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -15.534 -24.178 41.634 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -14.876 -25.101 44.579 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -15.026 -24.496 43.825 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -15.295 -24.660 45.323 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -11.303 2.398 -16.936 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -10.500 2.846 -16.570 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -11.901 3.122 -17.146 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -8.716 -2.091 -20.764 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -8.441 -2.215 -21.690 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -9.521 -1.542 -20.823 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -9.459 6.300 -15.215 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -9.630 7.123 -15.729 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -9.155 6.616 -14.355 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -10.001 5.065 -20.152 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -10.077 4.599 -21.025 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -10.892 5.029 -19.790 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -11.545 9.836 -21.640 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -12.254 10.410 -21.947 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -10.986 9.698 -22.435 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -11.092 -0.496 -20.716 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -12.011 -0.788 -20.676 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -10.999 -0.118 -21.626 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -11.769 0.935 -14.613 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -11.021 1.340 -14.133 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -11.704 1.308 -15.515 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -13.105 -0.678 -12.925 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -13.843 -0.138 -12.623 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -12.704 -0.148 -13.660 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -11.848 -5.437 -12.213 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -12.566 -5.914 -11.743 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -12.287 -4.633 -12.566 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -14.014 -8.893 -12.064 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -14.071 -7.956 -11.805 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -14.631 -8.977 -12.794 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -13.901 -5.950 0.029 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -14.360 -5.971 0.895 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -14.261 -5.150 -0.414 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -15.008 -6.240 2.530 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -15.880 -6.494 2.859 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -14.711 -5.557 3.146 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -14.803 -6.412 -5.918 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -15.176 -6.098 -5.074 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -13.910 -6.733 -5.681 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -13.018 -8.582 1.829 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -12.884 -8.590 2.784 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -13.737 -7.944 1.696 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -12.556 -8.805 -9.693 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -12.972 -9.187 -10.496 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -12.389 -9.581 -9.115 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -10.441 -4.746 -10.078 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -10.931 -5.031 -10.888 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -9.865 -4.025 -10.395 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -10.427 -0.676 -12.126 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -11.390 -0.701 -12.288 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -10.166 0.226 -12.386 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -13.152 -3.377 -13.270 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -13.015 -2.412 -13.133 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -14.051 -3.535 -12.956 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -13.737 -6.492 -10.566 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -13.294 -7.246 -10.120 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -14.454 -6.234 -9.940 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -14.982 -4.027 -1.563 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.478 -4.541 -2.239 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -15.453 -3.186 -1.513 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -9.860 -12.807 4.571 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -10.072 -13.607 5.112 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -9.959 -13.110 3.643 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -15.548 -6.060 -8.565 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -15.214 -6.191 -7.649 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -16.496 -6.195 -8.491 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -10.353 -7.318 -9.063 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -10.464 -6.388 -9.355 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -11.227 -7.732 -9.243 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -12.413 -11.299 1.576 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -12.559 -10.332 1.542 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -13.016 -11.656 0.886 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -14.447 -7.570 -2.156 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -14.234 -7.082 -1.334 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -14.010 -8.441 -2.034 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -12.267 -6.935 -4.867 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -11.594 -6.402 -5.352 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -12.422 -6.430 -4.046 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -9.132 -10.325 21.026 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -9.997 -10.078 21.406 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -8.698 -9.464 20.845 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -13.631 -6.616 19.400 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -14.095 -5.924 18.915 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -13.725 -7.413 18.829 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -14.576 -11.769 17.478 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -14.797 -12.575 17.987 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.278 -11.719 16.802 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -16.386 -9.331 16.833 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -16.805 -10.209 16.710 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -16.044 -9.106 15.936 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -14.078 -15.650 7.366 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -14.472 -16.309 6.780 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -13.442 -16.168 7.916 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -16.637 -8.275 19.363 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -17.588 -8.260 19.505 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -16.538 -8.614 18.447 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -12.974 -9.131 24.296 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.429 -8.325 24.594 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -13.707 -9.757 24.099 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -13.642 -10.137 12.172 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -14.350 -10.724 12.504 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -13.509 -10.427 11.244 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -15.552 -7.722 24.269 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -16.148 -6.999 24.488 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -15.379 -7.609 23.304 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -7.562 -9.174 3.834 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -7.569 -9.933 4.453 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -8.490 -9.034 3.624 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -14.619 -17.437 15.291 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -15.430 -17.980 15.279 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -14.502 -17.170 14.363 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -15.210 -9.353 14.390 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -15.636 -10.164 14.044 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -14.566 -9.117 13.704 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -15.917 -11.683 12.981 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -16.044 -11.901 12.034 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -16.461 -12.348 13.450 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -13.545 -11.489 9.799 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -13.126 -12.373 9.754 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -14.502 -11.686 9.865 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -15.267 -10.412 23.650 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -15.644 -9.550 23.925 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -15.982 -11.060 23.840 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -8.828 -35.194 -1.727 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -8.431 -35.766 -1.037 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -8.102 -34.617 -1.999 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -12.119 -35.168 -2.992 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -12.495 -35.002 -3.862 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -11.255 -35.564 -3.175 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -6.862 -33.603 -0.145 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -7.150 -34.481 0.188 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -7.579 -32.999 0.129 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -7.366 -33.147 4.112 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -7.007 -34.046 4.168 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -8.230 -33.265 3.659 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -3.182 -34.415 4.913 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -3.771 -35.104 4.540 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -3.260 -34.536 5.888 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -7.786 -35.941 3.934 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -8.525 -35.410 3.568 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -8.223 -36.739 4.287 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -9.277 -32.590 0.776 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -9.335 -33.131 1.598 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -10.015 -32.921 0.222 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -9.151 -29.828 0.518 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -8.976 -30.791 0.560 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -10.095 -29.747 0.788 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 5.065 -28.242 9.162 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 5.275 -28.943 8.505 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 4.181 -27.895 8.864 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -5.184 -28.342 3.009 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -4.408 -28.731 2.548 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -5.135 -28.727 3.916 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -7.484 -36.167 0.504 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -6.685 -36.513 0.947 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -8.227 -36.657 0.930 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -14.121 -37.377 -0.772 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -13.429 -36.820 -0.371 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -13.862 -37.452 -1.693 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -4.423 -34.853 -0.220 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -5.239 -34.307 -0.153 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -3.928 -34.448 -0.936 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -0.611 -33.385 4.920 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -0.523 -32.658 4.263 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -1.485 -33.787 4.721 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 0.006 -31.186 3.392 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 0.520 -31.219 2.581 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 0.584 -30.696 4.020 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -9.634 -37.321 1.658 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -9.874 -36.706 2.384 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -10.190 -38.101 1.818 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -9.959 -27.817 -1.242 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -9.552 -28.584 -0.789 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -10.781 -28.165 -1.602 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -7.303 -27.931 1.307 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -7.855 -28.714 1.091 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -6.671 -28.260 1.978 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 3.004 -30.198 7.306 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 2.378 -30.622 7.905 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 2.883 -29.226 7.477 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -4.921 -36.976 1.388 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -4.632 -36.202 0.848 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -4.602 -37.739 0.896 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -5.107 -36.318 4.048 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -6.080 -36.169 4.017 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -4.886 -36.611 3.136 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -9.628 -37.829 5.010 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -10.166 -38.571 4.693 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -10.094 -37.031 4.663 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -7.730 -34.568 7.884 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -7.790 -35.477 7.541 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -8.568 -34.449 8.405 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -6.964 -39.842 7.698 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -6.494 -40.585 7.312 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -6.877 -39.981 8.669 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 4.054 -28.141 3.922 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 3.657 -29.026 3.844 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 3.613 -27.754 4.722 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 1.953 -33.522 8.614 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 1.746 -33.885 7.727 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 1.123 -33.068 8.886 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -11.812 -38.368 3.147 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -12.737 -38.419 2.845 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -11.717 -37.453 3.472 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -9.749 -29.876 6.329 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -10.265 -29.892 7.160 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -9.300 -30.749 6.312 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -1.787 -31.749 6.899 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -2.690 -31.762 6.533 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -1.270 -32.295 6.277 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 0.877 -26.042 4.025 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 1.302 -26.639 4.693 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 0.963 -25.140 4.427 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -9.624 -22.023 0.729 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -10.386 -22.395 1.224 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -9.408 -22.715 0.073 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -5.261 -25.952 1.369 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -5.962 -26.343 0.824 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -5.215 -26.537 2.143 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -2.734 -29.377 2.165 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -2.319 -30.164 2.544 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -2.224 -28.625 2.559 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 2.870 -26.282 2.242 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 2.109 -26.223 2.856 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 3.432 -26.979 2.632 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -9.076 -26.088 0.613 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -9.463 -26.647 -0.103 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -8.316 -26.622 0.943 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 2.050 -29.930 4.758 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 1.961 -28.999 5.067 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 2.422 -30.397 5.533 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -1.911 -35.828 13.801 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -1.852 -36.080 12.855 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -2.800 -36.143 14.079 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -0.594 -33.044 17.692 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -0.046 -32.276 17.902 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -1.445 -32.652 17.385 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -8.273 -38.367 18.052 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -8.215 -37.635 18.707 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -7.380 -38.778 18.077 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -4.950 -33.404 15.481 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -4.293 -32.871 15.993 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -5.763 -33.355 16.015 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -10.779 -38.786 19.329 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -9.873 -38.814 18.965 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -11.349 -38.881 18.554 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -4.566 -35.871 14.370 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -4.853 -35.041 14.806 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -4.889 -35.779 13.449 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 1.811 -33.669 22.827 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 1.032 -33.311 23.307 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 1.456 -34.450 22.356 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -2.597 -33.422 10.634 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -2.913 -33.306 11.555 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -3.407 -33.386 10.099 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -0.326 -33.987 15.052 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -0.286 -34.039 16.024 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -0.784 -34.810 14.782 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 0.219 -38.081 22.439 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -0.581 -38.520 22.100 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 0.134 -37.156 22.122 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -7.748 -34.730 16.011 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -8.395 -34.261 15.443 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -7.726 -35.623 15.653 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -5.546 -38.854 18.569 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -5.438 -38.178 19.264 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -4.638 -39.173 18.410 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -8.349 -36.228 19.795 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -8.922 -36.452 20.569 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -7.726 -35.561 20.151 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -9.651 -33.114 11.638 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -9.719 -33.606 10.780 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -10.152 -32.305 11.485 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 4.198 -33.809 5.900 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 4.484 -33.942 6.826 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 3.258 -34.084 5.900 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -10.601 -33.006 16.740 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -10.461 -33.858 17.208 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -10.378 -33.206 15.809 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 8.268 -33.701 20.968 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 7.602 -33.417 20.295 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 8.168 -34.658 21.011 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -4.999 -35.387 11.679 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -5.335 -34.683 11.087 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -4.485 -35.969 11.084 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -2.432 -38.219 21.428 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -2.407 -37.714 22.270 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -3.253 -37.911 20.994 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -6.691 -40.118 10.408 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -7.143 -40.521 11.156 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -6.650 -39.163 10.637 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -13.170 -46.715 11.380 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -13.445 -46.595 10.469 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -12.507 -47.405 11.342 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -9.096 -36.919 9.561 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -8.817 -37.112 8.644 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -9.856 -36.294 9.453 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -2.690 -38.995 18.726 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -2.417 -38.967 19.663 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -2.183 -38.291 18.311 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -9.715 -38.367 11.762 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -9.388 -38.007 10.913 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -10.620 -38.015 11.832 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -1.803 -36.083 11.059 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -1.925 -35.168 10.731 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -2.412 -36.617 10.507 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -5.190 -36.908 6.790 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -5.089 -36.855 5.816 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -6.134 -37.123 6.920 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -6.945 -34.107 20.888 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -6.000 -34.209 21.123 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -7.318 -33.601 21.628 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -5.627 -33.731 9.522 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -6.336 -34.023 8.902 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -6.063 -33.026 10.062 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 0.030 -35.465 21.654 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -0.699 -34.967 22.085 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -0.228 -35.489 20.702 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -6.611 -33.468 18.104 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -7.164 -33.937 17.439 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -7.012 -33.705 18.960 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -3.065 -33.266 13.384 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -2.735 -34.180 13.498 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -3.858 -33.226 13.961 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -12.409 -37.495 21.138 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -12.738 -36.931 20.409 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -11.880 -38.186 20.682 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -5.411 -34.337 23.948 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -5.077 -35.069 24.502 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -4.967 -34.463 23.092 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 4.011 -32.211 22.077 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 3.291 -32.843 22.308 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 4.189 -32.387 21.145 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 4.654 -33.943 8.627 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 3.758 -33.541 8.619 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 4.593 -34.631 9.318 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -0.843 -35.407 19.060 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -0.654 -34.551 18.620 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -1.663 -35.718 18.633 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -7.668 -29.411 10.914 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -7.616 -28.795 11.650 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -7.515 -28.860 10.132 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -7.114 -32.148 11.122 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -7.288 -31.183 11.087 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -7.968 -32.534 11.401 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 3.094 -35.209 10.557 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 2.431 -35.708 11.076 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 2.560 -34.669 9.946 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 0.869 -36.306 11.846 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 0.721 -36.492 12.777 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -0.029 -36.289 11.459 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -3.847 -34.680 7.530 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -4.353 -35.501 7.348 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -4.383 -34.216 8.198 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -4.485 -36.834 20.206 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -4.473 -36.026 20.756 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -4.037 -36.565 19.377 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -7.944 -37.400 7.091 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -7.638 -38.315 7.323 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -8.593 -37.544 6.362 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -0.409 -32.313 9.219 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -0.872 -31.969 8.422 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -1.117 -32.733 9.742 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -10.066 -36.295 21.829 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -10.849 -36.839 21.609 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -10.436 -35.420 22.031 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -4.203 -31.899 5.402 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -3.872 -32.786 5.147 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -5.127 -31.901 5.112 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -12.959 -35.590 23.251 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -12.891 -36.392 22.698 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -12.471 -34.912 22.747 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -4.045 -37.151 9.700 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -4.054 -37.170 8.729 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -4.909 -37.537 9.952 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -3.322 -35.867 17.883 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -3.599 -34.956 18.129 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -3.755 -36.026 17.031 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -8.951 -32.488 6.250 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -8.704 -33.086 6.979 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -8.280 -32.668 5.558 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -4.046 -33.409 18.859 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -5.003 -33.332 18.631 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -3.595 -32.834 18.194 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 0.830 -38.236 26.603 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 1.151 -39.142 26.637 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 1.302 -37.841 25.830 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -2.385 -36.498 23.572 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -2.267 -35.549 23.334 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -1.888 -36.596 24.416 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 3.260 -29.410 25.501 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 2.446 -29.763 25.097 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 3.954 -29.603 24.835 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 1.533 -34.583 6.096 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 1.271 -35.504 5.997 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 0.822 -34.080 5.633 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 8.753 -31.650 17.343 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 9.226 -31.982 16.563 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 9.392 -31.771 18.087 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -10.443 -37.637 16.465 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -9.606 -38.042 16.785 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -10.253 -37.395 15.532 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 6.679 -31.720 24.755 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 5.918 -32.218 25.092 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 7.463 -32.214 25.106 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -12.981 -38.011 17.340 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -12.110 -37.867 16.912 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -13.067 -37.260 17.967 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -6.653 -37.417 10.702 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -6.414 -36.654 11.257 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -7.521 -37.168 10.311 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 2.753 -28.764 22.242 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 2.294 -29.541 22.621 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 3.693 -28.934 22.428 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -0.490 -34.570 30.144 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 0.050 -35.138 29.544 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -1.230 -35.143 30.410 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 2.002 -28.718 33.784 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 2.294 -29.269 34.530 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 1.151 -28.356 34.083 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -5.491 -31.128 36.916 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -5.300 -30.690 36.058 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -4.802 -31.824 36.983 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 0.087 -32.038 26.365 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -0.127 -32.109 25.403 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -0.607 -32.570 26.795 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -6.798 -32.401 39.724 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -6.773 -32.197 38.777 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -7.732 -32.667 39.888 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -6.830 -30.787 25.877 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -7.016 -30.214 25.100 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -7.396 -30.411 26.588 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 1.420 -29.934 36.317 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 0.975 -29.234 36.829 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 0.761 -30.637 36.257 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 0.927 -30.448 28.427 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 0.579 -30.889 27.621 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 0.641 -31.034 29.160 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -2.795 -36.216 30.643 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -3.026 -35.710 29.825 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -2.856 -37.138 30.372 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -1.352 -36.657 26.095 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -0.642 -37.302 26.299 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -1.159 -35.905 26.673 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -3.600 -35.455 33.216 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -3.211 -35.760 32.367 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -4.316 -34.869 32.948 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -3.028 -35.554 35.938 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -2.148 -35.938 35.862 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -3.360 -35.533 35.007 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -1.546 -31.137 36.284 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -1.678 -30.585 37.084 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -2.182 -31.874 36.399 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -3.470 -33.005 37.009 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -3.344 -33.886 36.599 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -3.527 -33.192 37.966 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -3.299 -35.058 28.216 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -2.844 -34.481 27.567 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -4.252 -34.892 28.056 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -4.088 -33.050 39.824 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -5.060 -32.978 39.907 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -3.931 -34.006 39.672 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -8.047 -32.874 31.678 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -7.274 -32.957 31.080 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -8.795 -32.759 31.078 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 4.918 -30.030 23.427 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 4.579 -30.765 22.862 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 5.707 -30.409 23.853 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -13.416 -30.226 28.327 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -12.647 -29.890 27.815 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -13.464 -31.180 28.078 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -2.186 -29.684 38.533 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -2.616 -29.892 39.383 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -1.449 -29.097 38.772 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -9.518 -32.561 40.100 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -10.362 -32.703 40.585 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -9.784 -32.061 39.304 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 1.980 -37.283 24.335 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 1.311 -37.608 23.683 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 2.796 -37.242 23.832 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -4.485 -32.220 25.452 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -5.205 -31.592 25.669 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -4.916 -32.887 24.878 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -4.798 -29.794 34.615 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -4.592 -28.875 34.891 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -5.649 -29.711 34.128 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -2.248 -33.554 26.117 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -1.827 -33.573 25.236 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -3.060 -33.006 25.979 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 7.097 -29.559 29.041 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 7.669 -30.313 29.312 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 7.056 -29.634 28.060 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -13.788 -34.895 25.752 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -13.450 -35.033 24.835 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -14.106 -35.762 26.016 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 0.177 -31.985 30.596 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -0.152 -32.885 30.340 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 0.792 -32.160 31.318 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -2.109 -29.974 33.903 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -3.078 -29.996 34.038 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -1.753 -30.491 34.663 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 1.642 -30.865 23.673 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 0.725 -31.225 23.706 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 2.201 -31.656 23.593 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 2.827 -32.246 26.289 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 3.117 -31.334 26.427 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 1.850 -32.203 26.382 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -8.758 -32.222 34.198 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -8.455 -32.406 33.275 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -8.089 -32.631 34.750 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -6.317 -32.881 29.555 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -7.091 -32.394 29.190 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -6.072 -33.506 28.846 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 4.954 -26.264 36.746 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 5.827 -26.704 36.664 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 5.030 -25.732 37.558 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -6.417 -30.624 41.854 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -7.273 -30.505 42.305 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -6.602 -31.292 41.164 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -4.203 -34.348 21.408 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -4.029 -33.896 20.549 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -3.386 -34.168 21.942 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -5.911 -34.767 27.443 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -5.623 -35.394 26.752 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -6.677 -34.298 27.036 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -4.279 -36.275 25.604 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -3.839 -36.660 24.823 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -3.557 -36.161 26.247 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 2.514 -34.999 26.541 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 2.277 -35.234 25.634 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 2.744 -34.048 26.491 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -7.319 -28.972 23.937 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -6.707 -28.276 24.271 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -7.010 -29.152 23.044 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 7.620 -26.938 36.967 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 7.662 -25.995 37.226 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 8.107 -27.396 37.658 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -11.304 -30.626 43.960 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -11.016 -31.073 44.767 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -10.488 -30.581 43.405 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -5.941 -29.286 38.860 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -5.356 -29.668 39.543 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -5.909 -29.942 38.126 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -4.022 -30.425 40.639 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -4.759 -30.524 41.287 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -3.833 -31.350 40.351 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -3.784 -35.536 38.689 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -3.677 -36.416 39.065 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -3.667 -35.670 37.727 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -0.896 -29.567 31.436 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -0.589 -30.418 31.058 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -1.284 -29.817 32.303 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -0.069 -27.810 37.388 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -0.623 -27.313 38.032 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 0.747 -27.261 37.301 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 2.127 -26.356 36.868 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 2.156 -25.659 36.196 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 3.034 -26.715 36.877 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 7.058 -29.407 26.332 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 7.004 -30.188 25.752 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 7.368 -28.699 25.752 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -4.059 -27.871 41.905 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -4.970 -28.035 42.194 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -3.806 -28.691 41.439 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -15.865 -32.406 44.099 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -15.187 -31.719 44.295 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -16.191 -32.670 44.964 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -7.584 -27.418 40.120 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -6.988 -28.092 39.727 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -7.248 -26.564 39.764 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 2.021 -6.937 -21.075 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 2.806 -6.435 -21.380 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 1.914 -7.632 -21.733 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -7.582 -9.310 -14.788 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -6.637 -9.549 -14.725 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -7.575 -8.355 -14.992 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -5.216 -10.768 -15.112 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -5.240 -11.645 -14.686 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -5.366 -10.959 -16.057 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 5.646 -10.072 -13.170 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 5.963 -9.239 -12.759 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 6.329 -10.296 -13.808 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -1.608 -9.345 -18.182 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -2.471 -9.497 -17.764 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -1.828 -8.859 -19.008 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -6.802 -10.772 -9.779 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -6.684 -11.737 -9.889 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -7.719 -10.679 -9.438 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -8.251 -11.798 -15.655 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -9.211 -11.870 -15.616 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -8.061 -10.905 -15.272 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -7.976 -6.631 -15.589 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -8.716 -6.961 -16.112 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -7.467 -6.067 -16.223 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -4.632 -12.623 -12.325 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -5.211 -12.812 -11.568 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -5.117 -12.980 -13.091 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 0.952 -9.366 -15.047 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 0.927 -9.471 -16.020 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 1.892 -9.148 -14.857 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -4.343 -8.401 -14.352 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -3.360 -8.448 -14.386 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -4.632 -9.301 -14.628 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -6.279 -11.294 -17.588 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -6.335 -11.955 -18.287 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -7.065 -11.470 -17.027 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 1.031 -9.649 -17.788 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 0.058 -9.524 -17.911 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 1.205 -10.520 -18.162 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 2.518 -7.386 -18.350 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 2.061 -8.202 -18.051 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 2.180 -7.243 -19.258 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 4.830 -6.134 -19.256 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 4.081 -6.658 -18.905 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 5.277 -5.793 -18.457 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -4.872 -9.196 -21.049 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -5.531 -8.572 -21.382 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -4.736 -9.813 -21.779 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -3.814 -17.877 -6.493 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -3.368 -17.143 -6.006 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -3.070 -18.411 -6.857 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 0.877 -14.043 -4.116 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 0.215 -14.719 -3.851 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 1.535 -14.061 -3.386 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -3.333 -22.158 -4.897 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -2.774 -22.606 -4.217 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -3.298 -22.763 -5.672 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -7.002 -16.606 -4.654 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -7.576 -17.386 -4.784 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -6.616 -16.445 -5.540 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 5.853 -23.715 -0.678 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 5.954 -22.745 -0.767 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 4.892 -23.845 -0.543 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -1.751 -20.881 -1.092 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -2.731 -20.799 -1.017 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -1.521 -21.588 -0.446 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -7.335 -21.849 -1.481 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -6.765 -21.971 -2.273 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -7.868 -22.677 -1.436 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -8.070 -19.298 -2.319 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -7.730 -20.208 -2.205 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -8.535 -19.115 -1.480 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 2.997 -22.496 2.057 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 2.096 -22.889 2.038 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 3.248 -22.524 3.011 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -8.949 -19.476 0.287 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -8.071 -19.546 0.700 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -9.345 -20.376 0.418 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -2.668 -15.937 -4.948 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -1.999 -16.066 -4.253 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -2.223 -15.345 -5.594 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -6.458 -20.681 0.788 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -6.942 -21.139 0.058 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -6.182 -21.396 1.371 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -10.527 -15.561 -10.891 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -10.485 -15.455 -11.850 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -11.407 -15.241 -10.654 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 0.588 -23.766 2.209 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 0.715 -24.718 2.079 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 0.692 -23.643 3.183 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -0.870 -14.438 -6.324 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -0.254 -14.208 -5.608 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -0.417 -14.150 -7.126 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -0.484 -16.245 -3.180 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 0.353 -16.698 -3.432 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -0.999 -16.944 -2.719 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 2.326 -17.974 2.232 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 3.121 -17.403 2.138 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 2.504 -18.725 1.647 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 1.788 -12.862 -6.505 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 2.743 -12.736 -6.336 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 1.463 -13.300 -5.698 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -6.162 -16.769 -7.258 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -5.314 -17.215 -7.014 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -6.051 -16.551 -8.208 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -10.145 -15.724 -1.743 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -9.780 -15.029 -2.337 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -10.639 -16.312 -2.344 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 3.002 -14.831 0.639 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 3.593 -15.510 1.038 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 3.415 -13.983 0.900 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -2.590 -10.530 -12.371 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -3.172 -10.088 -11.726 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -3.033 -11.388 -12.534 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 1.498 -10.453 -7.991 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 1.419 -11.385 -7.716 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 1.965 -10.028 -7.247 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -2.713 -28.015 -0.236 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -2.756 -28.584 0.563 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -3.096 -28.554 -0.932 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -4.387 -29.050 5.467 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -3.856 -28.525 6.094 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -4.161 -29.976 5.675 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -2.009 -23.116 -2.730 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -1.852 -23.826 -2.096 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -1.777 -22.305 -2.240 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -1.772 -19.672 -6.833 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -1.871 -20.627 -6.809 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -1.090 -19.484 -6.147 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -0.057 -19.407 -4.724 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -0.154 -19.800 -3.850 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 0.558 -18.661 -4.583 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -2.647 -25.523 0.898 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -2.454 -26.333 0.370 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -3.628 -25.548 1.015 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -5.551 -21.366 -3.460 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -4.935 -21.976 -3.916 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -5.293 -20.486 -3.793 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -3.356 -23.780 -7.084 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -3.819 -24.623 -7.074 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -3.054 -23.684 -7.993 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -1.416 -23.089 0.445 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -0.671 -23.192 1.074 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -1.915 -23.929 0.529 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 2.747 -10.227 4.897 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 3.198 -10.376 4.032 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 3.429 -10.443 5.553 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -1.790 -18.547 -2.452 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -1.594 -19.372 -1.954 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -2.313 -18.854 -3.226 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -4.411 -20.532 -1.032 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -5.120 -20.551 -0.361 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -4.836 -20.883 -1.840 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -6.221 -16.530 -9.995 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -5.693 -17.131 -10.532 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -7.135 -16.896 -10.050 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -3.639 -19.511 -4.292 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -3.417 -20.407 -4.632 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -3.742 -18.967 -5.102 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 8.523 -9.534 -8.436 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 7.865 -9.862 -9.093 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 9.357 -9.554 -8.911 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -8.762 -17.537 -9.944 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -8.996 -17.679 -9.009 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -9.518 -17.041 -10.308 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -8.839 -17.201 -7.163 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -8.907 -17.861 -6.442 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -7.870 -17.030 -7.238 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -1.393 -27.174 2.943 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -0.597 -26.846 3.411 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -1.618 -26.462 2.325 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -6.512 -13.626 -10.263 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -6.088 -14.505 -10.283 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -7.330 -13.774 -9.748 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -6.150 -13.339 -14.628 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -6.134 -14.114 -15.198 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -6.962 -12.861 -14.894 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 1.839 -17.567 -3.790 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 2.635 -17.115 -4.092 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 2.172 -18.253 -3.163 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -8.782 -14.585 -8.934 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -8.755 -15.367 -8.361 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -9.364 -14.852 -9.675 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 2.553 -13.995 -1.965 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 2.635 -14.323 -1.043 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 3.482 -13.979 -2.296 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -8.993 -23.987 -1.122 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -9.559 -24.381 -1.796 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -8.913 -24.690 -0.436 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -8.930 -12.520 -7.109 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -8.753 -13.210 -7.779 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -9.871 -12.650 -6.881 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -9.423 -11.166 8.404 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -8.872 -10.655 7.795 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -10.330 -11.116 8.010 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -4.401 -9.551 -10.349 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -3.890 -9.923 -9.621 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -5.282 -9.988 -10.270 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 6.921 -10.262 -10.510 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 6.367 -10.901 -10.975 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 6.695 -9.406 -10.924 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -3.116 -24.233 3.379 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -3.682 -24.970 3.715 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -2.905 -24.494 2.464 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -4.615 -26.086 4.544 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -4.231 -26.400 5.388 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -4.917 -26.901 4.104 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -11.768 -9.541 -5.568 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -11.851 -8.578 -5.409 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -12.560 -9.919 -5.145 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 5.961 -11.361 -1.810 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 6.242 -11.254 -0.895 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 5.296 -10.651 -1.942 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 4.961 -13.215 1.657 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 5.121 -13.896 2.343 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 5.733 -13.293 1.070 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 3.466 -20.436 0.367 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 4.287 -20.777 -0.055 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 3.225 -21.140 1.017 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 3.462 -24.543 0.269 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 3.334 -23.733 0.802 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 3.204 -25.271 0.882 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 2.548 -19.665 -2.172 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 2.757 -19.834 -1.231 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 2.686 -20.516 -2.600 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -11.250 -18.393 -0.791 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -10.452 -18.811 -0.404 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -11.298 -17.526 -0.350 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -11.771 -17.262 -3.378 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -11.671 -17.946 -2.686 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -12.615 -16.831 -3.164 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 4.157 -12.344 -5.210 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 4.320 -12.994 -4.497 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 4.980 -11.802 -5.224 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -10.909 -26.741 2.612 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -10.167 -26.672 1.976 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -10.809 -27.644 3.007 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 6.473 -27.127 3.463 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 6.758 -27.562 2.637 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 5.641 -27.599 3.707 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 1.951 -11.465 -2.907 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 1.520 -11.867 -3.676 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 2.098 -12.219 -2.298 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -9.361 -9.877 -9.286 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -10.037 -10.445 -8.860 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -9.690 -8.966 -9.136 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 0.353 -9.812 -12.364 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 0.548 -9.905 -13.320 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -0.500 -10.267 -12.248 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 7.552 -8.711 -6.031 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 7.911 -9.132 -6.850 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 7.678 -7.756 -6.185 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -7.664 -10.657 -5.629 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -8.114 -11.331 -6.195 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -6.809 -10.528 -6.051 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -2.392 -10.552 2.824 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -1.509 -10.684 3.225 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -2.961 -10.297 3.583 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -6.936 -17.308 24.445 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -6.174 -17.747 24.866 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -7.123 -17.862 23.663 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 6.672 -13.570 5.202 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 7.245 -14.179 5.690 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 6.363 -14.099 4.433 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 4.819 -15.525 23.277 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 4.105 -15.898 23.844 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 5.460 -16.260 23.186 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 2.803 -16.007 24.965 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 2.371 -15.158 25.143 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 2.193 -16.671 25.349 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 5.247 -11.378 8.438 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 5.653 -11.294 9.327 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 5.055 -12.334 8.354 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -6.321 -14.095 23.017 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -7.206 -14.192 22.609 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -6.476 -14.289 23.960 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -1.269 -10.399 6.736 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -0.674 -9.975 7.396 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -1.755 -11.053 7.249 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 4.553 -13.124 19.151 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 5.252 -13.717 18.776 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 3.720 -13.534 18.877 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 5.577 -12.198 21.562 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 5.253 -12.748 20.823 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 5.140 -12.575 22.352 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 0.289 -9.695 8.896 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 0.485 -10.129 9.767 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 1.176 -9.511 8.526 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -9.710 -18.049 37.617 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -10.675 -18.216 37.682 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -9.356 -18.358 38.485 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 2.344 -15.356 35.172 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 1.603 -14.988 34.653 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 2.149 -15.090 36.089 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -10.216 -15.595 36.351 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -10.867 -16.008 35.772 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -9.835 -16.346 36.854 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -0.079 -14.350 34.217 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -0.192 -13.832 35.034 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -0.579 -13.838 33.537 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -2.561 -18.655 33.222 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -2.789 -18.532 32.292 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -1.834 -18.005 33.379 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 6.357 -23.977 31.894 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 7.286 -24.285 31.854 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 6.392 -23.204 32.487 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -4.990 -18.595 34.520 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -5.362 -17.731 34.225 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -4.114 -18.634 34.086 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -7.231 -16.493 44.709 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -7.001 -16.565 45.640 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -8.205 -16.410 44.708 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -14.364 -14.758 28.265 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -14.839 -13.936 28.032 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -15.080 -15.377 28.541 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -0.109 -13.284 36.848 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -0.912 -13.682 37.201 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 0.615 -13.845 37.208 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 3.549 -24.381 35.342 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 3.640 -23.645 35.975 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 4.118 -25.091 35.715 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -1.396 -12.835 32.341 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -0.766 -12.246 31.877 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -1.913 -13.246 31.622 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -0.438 -15.927 29.743 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -0.032 -15.448 28.996 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 0.299 -16.439 30.132 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -0.996 -21.612 37.580 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -1.256 -21.144 36.757 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -1.368 -21.053 38.297 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -5.881 -16.171 33.648 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -6.002 -15.810 32.740 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -6.452 -15.627 34.194 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -7.814 -22.547 37.886 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -6.987 -22.503 37.392 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -8.404 -21.916 37.422 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 1.775 -15.023 37.871 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 2.421 -14.757 38.536 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 1.788 -16.009 37.906 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -7.901 -16.631 42.044 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -7.320 -16.563 42.834 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -7.293 -16.586 41.296 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -2.325 -13.956 29.878 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -1.828 -13.258 29.403 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -1.716 -14.728 29.878 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -13.061 -14.332 35.259 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -13.199 -13.678 34.550 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -12.367 -13.932 35.813 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -9.880 -16.159 43.945 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -10.515 -15.445 43.839 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -9.341 -16.128 43.127 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -4.973 -13.456 29.607 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -4.806 -12.494 29.471 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -4.073 -13.831 29.741 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -2.112 -9.477 32.953 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -1.161 -9.607 33.142 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -2.425 -10.356 32.703 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -1.719 -26.556 39.109 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -1.717 -25.576 39.163 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -2.627 -26.775 38.820 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 1.379 -22.658 38.308 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 1.094 -23.513 38.657 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 0.557 -22.272 37.920 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -7.567 -21.473 40.404 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -7.691 -21.974 39.568 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -6.614 -21.215 40.387 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -2.036 -20.125 39.616 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -2.796 -19.840 39.074 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -2.436 -20.413 40.451 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -4.952 -20.946 39.922 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -4.393 -21.663 40.293 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -4.617 -20.827 39.010 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -0.256 -27.019 32.078 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -0.450 -27.890 31.665 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -0.163 -27.228 33.033 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 0.687 -18.550 35.710 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 1.173 -18.239 36.501 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 1.394 -18.828 35.087 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -1.793 -19.807 35.690 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -0.937 -19.325 35.756 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -2.150 -19.538 34.818 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -12.418 -18.574 37.644 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -13.176 -18.852 38.195 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -12.813 -17.939 36.998 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -3.924 -20.392 37.425 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -4.735 -20.438 36.880 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -3.222 -20.139 36.787 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 6.324 -17.890 29.717 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 5.926 -17.061 29.361 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 5.815 -18.074 30.511 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -0.453 -17.092 33.691 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -0.014 -17.447 34.490 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -0.334 -16.120 33.764 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -8.866 -14.771 29.610 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -9.505 -14.535 30.294 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -9.413 -14.897 28.807 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -6.591 -14.971 31.291 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -5.971 -14.388 30.806 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -7.395 -14.969 30.745 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -6.825 -14.218 27.809 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -6.038 -13.932 28.331 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -7.442 -14.568 28.486 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 2.100 -17.801 38.051 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 1.634 -18.443 38.638 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 2.955 -18.228 37.866 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 0.613 -10.951 26.772 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 0.666 -11.676 26.140 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 1.551 -10.728 26.953 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -0.502 -27.821 34.631 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -1.124 -28.558 34.448 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -0.442 -27.796 35.611 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -4.583 -25.076 37.220 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -3.727 -24.634 37.156 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -4.360 -26.033 37.203 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -7.687 -11.689 27.226 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -7.361 -12.596 27.404 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -8.649 -11.736 27.420 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -10.291 -14.669 27.186 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -10.746 -13.825 27.027 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -9.622 -14.720 26.477 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -12.638 -12.689 27.423 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -12.883 -13.484 27.929 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -13.497 -12.326 27.130 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 0.880 -19.845 39.397 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 1.095 -20.785 39.313 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -0.075 -19.833 39.592 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -9.045 -19.192 39.993 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -8.482 -19.990 40.064 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -9.420 -19.087 40.884 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -9.481 -18.789 42.738 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -8.815 -18.138 42.431 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -9.972 -18.315 43.426 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -6.440 -25.124 39.198 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -5.827 -25.020 38.434 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -5.863 -24.997 39.983 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -6.143 -20.747 35.631 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -6.002 -21.388 34.924 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -5.825 -19.891 35.245 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -9.087 -21.543 42.685 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -9.242 -20.597 42.877 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -8.428 -21.533 41.957 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -3.391 -22.930 40.969 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -2.877 -22.957 41.811 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -3.985 -23.714 41.034 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -1.948 -23.864 38.852 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -2.419 -23.457 39.612 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -1.631 -23.101 38.331 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -3.968 -27.656 37.989 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -3.326 -28.390 37.891 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -4.800 -28.102 38.244 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -4.801 -25.220 41.347 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -4.272 -26.035 41.439 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -5.563 -25.362 41.956 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -7.898 -14.889 25.333 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -7.419 -14.710 26.172 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -7.640 -15.813 25.100 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 4.414 -19.447 37.276 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 4.272 -18.840 36.508 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 5.298 -19.226 37.589 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -8.832 -20.422 36.438 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -7.906 -20.376 36.124 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -9.029 -19.510 36.740 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 3.812 -24.821 32.644 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 4.757 -24.654 32.430 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 3.749 -24.652 33.612 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 3.761 -22.114 37.054 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 4.036 -21.187 37.254 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 2.885 -22.205 37.502 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -12.148 -27.782 39.931 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -12.934 -27.622 40.496 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -12.497 -27.755 39.022 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -11.670 -20.993 36.593 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -10.711 -21.016 36.419 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -11.824 -20.099 36.957 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 2.664 -12.651 31.013 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 3.149 -12.934 30.214 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 2.786 -13.377 31.633 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 6.463 -27.006 28.023 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 6.446 -27.928 28.338 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 5.708 -26.952 27.399 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 4.051 -13.185 28.629 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 4.625 -12.409 28.816 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 3.498 -12.892 27.888 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -8.475 -9.240 28.319 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -7.926 -10.029 28.154 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -9.381 -9.552 28.171 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -2.157 -23.519 43.291 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -2.315 -24.492 43.323 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -2.024 -23.272 44.208 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -9.381 -25.938 44.080 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -10.097 -26.620 44.070 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -9.247 -25.752 45.016 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -2.575 -26.222 43.581 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -2.123 -26.856 44.145 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -3.075 -26.779 42.948 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -10.033 -24.004 42.206 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -9.752 -24.682 42.862 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -9.633 -23.163 42.543 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -11.358 -27.798 44.304 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -11.318 -28.758 44.168 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -12.312 -27.586 44.230 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -7.049 -26.225 42.561 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -7.827 -26.100 43.141 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -7.388 -26.759 41.818 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -0.439 1.787 -22.118 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -1.146 1.571 -22.766 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -0.062 2.621 -22.459 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -1.539 2.204 -19.626 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -1.859 3.128 -19.564 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -1.095 2.162 -20.502 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 1.459 3.157 -17.293 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 1.172 4.095 -17.357 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 2.354 3.160 -17.648 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -8.461 -6.362 -25.230 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -8.641 -6.093 -24.301 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -9.221 -6.897 -25.474 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 0.189 8.750 -24.468 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -0.511 8.204 -24.886 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 0.438 9.377 -25.153 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -0.042 -1.345 -16.831 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -0.005 -1.692 -17.751 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -0.267 -0.396 -16.943 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -8.537 -2.253 -26.497 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -8.038 -1.716 -27.137 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -7.922 -2.980 -26.261 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -8.776 -5.208 -22.777 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -8.448 -4.293 -22.853 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -8.874 -5.345 -21.830 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -7.625 -2.659 -23.297 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -7.737 -1.766 -23.666 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -7.315 -3.193 -24.060 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -6.916 -4.899 -17.340 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -7.205 -4.309 -18.054 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -6.243 -4.374 -16.860 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -2.190 2.032 -24.238 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -2.970 2.281 -24.768 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -1.655 2.850 -24.200 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 4.296 -5.486 -21.807 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 4.547 -5.631 -20.858 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 5.108 -5.669 -22.294 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -6.859 -4.198 -25.539 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -5.966 -4.559 -25.603 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -7.442 -4.999 -25.533 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 0.358 -0.663 -21.176 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 0.228 0.259 -21.495 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 0.726 -1.128 -21.938 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 2.898 -5.650 -16.255 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 2.794 -6.395 -16.886 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 2.049 -5.158 -16.330 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -2.635 -7.868 -20.184 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -2.609 -6.980 -20.620 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -3.382 -8.324 -20.617 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -1.774 7.457 -25.887 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -2.202 6.583 -25.706 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -1.797 7.535 -26.847 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 0.161 -3.009 -13.514 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -0.496 -2.286 -13.442 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 0.939 -2.580 -13.931 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -11.525 2.748 -24.678 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -10.821 3.115 -25.261 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -12.346 3.028 -25.097 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -0.551 4.191 -23.514 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -0.865 4.692 -22.727 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -0.290 4.874 -24.141 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -3.310 5.296 -25.406 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -4.159 5.702 -25.137 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -3.543 4.368 -25.607 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -10.830 -1.153 -25.575 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -11.582 -1.648 -25.919 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -10.042 -1.671 -25.874 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -9.948 0.505 -18.395 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -10.566 1.167 -18.018 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -10.362 0.243 -19.245 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -10.201 3.792 -22.489 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -9.305 3.472 -22.716 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -10.771 3.426 -23.194 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -4.502 2.782 -25.689 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -4.755 1.871 -25.941 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -5.355 3.259 -25.636 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -9.962 9.738 -23.897 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -9.737 10.327 -24.624 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -9.112 9.591 -23.432 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 3.564 -3.993 -14.157 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 3.029 -3.252 -14.520 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 3.380 -4.739 -14.769 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -4.530 -9.050 -18.197 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -4.660 -9.153 -19.157 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -5.163 -9.675 -17.804 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -5.181 -4.109 -21.942 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -4.599 -3.348 -21.718 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -6.039 -3.705 -22.120 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -7.459 -0.109 -27.999 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -7.722 0.187 -28.880 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -8.078 0.358 -27.392 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 2.445 -3.535 -22.375 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 2.859 -3.063 -23.101 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 3.128 -4.179 -22.087 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -7.389 -2.288 -18.412 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -8.091 -2.126 -17.746 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -7.857 -2.220 -19.278 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 0.534 -5.628 -14.412 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 1.059 -6.257 -13.871 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 0.592 -4.785 -13.927 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -7.002 0.174 -24.043 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -6.414 0.093 -23.279 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -6.393 0.164 -24.816 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 0.478 -2.611 -19.245 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 0.617 -1.881 -19.884 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 0.301 -3.394 -19.814 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -2.043 -0.518 -19.749 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -1.170 -0.697 -20.150 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -2.061 0.451 -19.640 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -5.338 0.149 -26.284 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -4.581 -0.329 -26.647 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -6.037 0.049 -26.970 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -8.326 0.789 -15.339 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -8.683 -0.097 -15.550 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -8.693 0.992 -14.464 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -0.687 4.643 -15.360 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -0.240 5.170 -16.057 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -1.463 4.258 -15.812 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -0.580 1.354 -17.216 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -0.912 1.518 -18.127 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 0.245 1.891 -17.164 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -6.836 4.235 -25.211 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -6.394 5.082 -24.980 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -7.120 3.866 -24.347 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -8.998 0.871 -25.930 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -8.427 0.622 -25.177 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -9.784 0.291 -25.835 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -5.628 6.590 -24.604 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -5.007 7.256 -24.239 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -6.489 7.047 -24.618 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -2.613 3.112 -16.650 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -3.368 2.477 -16.659 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -1.819 2.531 -16.681 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 1.155 8.411 -13.475 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 0.692 9.047 -12.924 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 1.494 7.743 -12.840 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -9.040 -4.616 -13.945 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -9.838 -4.320 -14.439 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -8.612 -5.254 -14.551 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -11.115 8.811 -19.170 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -12.026 8.637 -18.912 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -11.197 9.260 -20.048 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 5.500 -5.224 -16.719 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 4.532 -5.293 -16.534 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 5.753 -4.377 -16.337 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -2.847 -5.403 -21.192 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -3.686 -4.992 -21.491 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -2.194 -4.692 -21.267 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -8.473 6.930 -24.503 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -9.308 7.394 -24.665 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -8.631 6.033 -24.834 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -9.824 8.575 -16.719 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -10.278 8.605 -17.586 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -9.339 9.403 -16.680 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -5.504 7.023 -14.636 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -5.266 7.935 -14.433 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -5.441 6.972 -15.619 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -0.021 5.027 -11.106 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -0.619 4.676 -11.803 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -0.486 4.847 -10.285 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -9.169 3.763 -16.022 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -8.383 3.580 -15.469 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -9.352 4.722 -15.864 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 1.623 3.316 -14.460 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 1.712 2.816 -15.292 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 0.840 3.882 -14.608 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -9.350 -1.508 -16.606 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -9.683 -0.827 -17.234 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -10.133 -2.039 -16.390 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 2.641 2.114 -12.215 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 1.972 2.515 -12.811 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 3.438 2.659 -12.356 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -1.676 -8.595 -14.270 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -1.801 -9.355 -13.669 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -0.768 -8.709 -14.617 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -9.352 3.569 -26.121 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -8.445 3.917 -26.015 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -9.226 2.601 -26.205 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 3.813 6.385 -14.051 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 3.246 6.552 -13.276 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 3.324 6.779 -14.794 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -10.950 0.383 -23.271 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -10.954 -0.240 -24.025 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -11.195 1.242 -23.673 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 3.127 0.599 -14.608 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 2.975 1.003 -13.736 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 4.082 0.399 -14.618 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 4.778 -1.887 -12.734 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 4.413 -2.661 -13.211 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 5.188 -1.341 -13.444 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 0.776 -4.043 -16.917 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 0.446 -3.248 -16.469 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 0.898 -3.755 -17.843 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 2.058 -1.846 -15.086 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 1.419 -1.662 -15.807 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 2.476 -0.972 -14.912 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -11.343 -3.894 -15.375 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -11.858 -4.510 -15.904 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -11.935 -3.666 -14.630 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 5.891 -7.687 -15.604 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 5.708 -6.822 -16.023 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 6.846 -7.774 -15.653 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 5.257 -5.360 -12.385 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 4.947 -5.087 -11.499 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 4.608 -4.960 -13.002 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -7.575 4.423 -19.035 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -8.473 4.644 -19.363 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -7.048 5.221 -19.232 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -5.186 4.212 -16.839 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -5.231 5.174 -17.036 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -4.269 4.072 -16.541 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 2.067 7.724 -15.922 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 2.466 8.546 -16.227 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 1.630 7.971 -15.071 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -6.360 6.928 -19.735 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -7.285 7.237 -19.867 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -5.842 7.449 -20.386 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -2.530 4.698 -18.916 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -2.608 4.209 -18.070 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -2.679 5.636 -18.666 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 0.469 6.989 -19.811 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 0.790 7.665 -20.443 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 0.015 6.333 -20.376 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 0.737 5.830 -17.377 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 1.253 6.493 -16.859 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 0.652 6.239 -18.270 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -8.935 7.581 -20.311 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -9.612 8.097 -19.825 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -9.316 6.676 -20.359 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -7.637 2.797 -23.025 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -7.698 1.893 -23.383 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -6.872 2.759 -22.417 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -3.393 -2.134 -21.447 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -3.013 -1.715 -20.642 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -3.075 -1.584 -22.167 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 0.322 -4.673 -20.999 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 0.960 -4.232 -21.599 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 0.672 -5.578 -20.906 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -4.694 -7.316 -11.981 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -4.557 -8.089 -11.393 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -4.605 -7.690 -12.888 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 3.596 -8.761 -14.460 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 4.118 -9.406 -13.936 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 4.274 -8.287 -14.988 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -9.308 0.232 -2.632 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -10.011 0.878 -2.760 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -8.822 0.556 -1.840 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -2.070 -0.435 -4.349 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -1.535 -0.648 -3.555 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -1.413 -0.195 -5.014 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -7.949 0.643 -0.312 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -6.972 0.624 -0.447 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -8.134 -0.174 0.201 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -10.512 -5.165 -5.898 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -10.385 -4.547 -5.144 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -11.040 -4.643 -6.553 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -9.641 1.892 -13.053 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -8.731 1.761 -12.686 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -9.781 2.848 -12.999 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -4.772 3.457 0.344 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -4.562 4.038 1.083 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -5.760 3.489 0.286 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 1.555 -8.761 -3.754 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 1.451 -9.664 -3.408 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 2.025 -8.887 -4.604 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -6.608 -4.488 -6.701 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -7.139 -3.913 -6.108 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -7.234 -5.186 -6.979 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -3.170 -1.546 -9.734 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -2.304 -1.080 -9.746 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -3.170 -2.065 -10.563 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -5.014 -0.606 1.725 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -5.070 0.090 2.388 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -5.087 -0.127 0.863 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 3.952 -9.577 -2.396 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 3.395 -10.357 -2.604 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 3.322 -8.840 -2.378 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -3.380 3.531 -2.001 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -2.498 3.251 -1.738 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -3.866 3.622 -1.155 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 1.115 -2.369 -0.446 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 2.035 -2.268 -0.181 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 0.621 -2.416 0.410 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -7.479 3.309 0.267 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -7.754 2.396 0.041 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -8.306 3.791 0.357 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -4.360 0.473 -3.113 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -3.580 0.024 -3.501 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -4.464 1.276 -3.656 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -4.459 2.938 -4.391 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -4.209 3.226 -3.477 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -3.786 3.335 -4.953 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 1.675 -8.805 -10.159 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 1.660 -9.419 -9.391 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 1.269 -9.324 -10.885 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -7.549 -0.852 -10.487 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -8.190 -0.672 -9.788 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -7.933 -1.611 -10.972 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -0.979 -8.285 -1.067 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -0.864 -8.272 -0.089 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -0.490 -9.065 -1.352 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 2.330 -1.630 -11.514 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 3.229 -1.554 -11.891 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 2.215 -0.811 -10.993 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -5.238 0.820 -0.549 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -4.923 0.596 -1.461 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -4.895 1.722 -0.394 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -6.894 -4.046 -1.356 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -7.591 -3.429 -1.650 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -6.492 -3.601 -0.581 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -12.837 -4.700 -3.205 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -13.365 -4.508 -2.406 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -13.403 -4.415 -3.934 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -0.689 -4.268 -1.477 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -0.302 -5.000 -2.011 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 0.087 -3.744 -1.196 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -8.553 -6.350 -7.288 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -9.101 -6.867 -7.915 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -9.215 -5.912 -6.706 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -6.883 2.191 -5.447 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -6.012 2.389 -5.040 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -7.235 3.053 -5.682 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -8.032 -2.980 -4.992 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -8.827 -3.231 -4.484 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -8.004 -2.000 -4.926 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -0.750 -0.343 -10.211 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 0.167 -0.002 -10.130 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -1.161 0.242 -10.883 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -0.295 -0.962 -2.357 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 0.250 -1.422 -1.681 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 0.316 -0.849 -3.120 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -7.480 -0.368 -4.691 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -7.232 0.500 -5.084 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -8.103 -0.132 -3.972 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -9.045 -2.942 -11.734 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -9.069 -3.391 -12.605 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -9.602 -2.135 -11.866 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -8.413 -1.795 0.922 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -7.574 -2.307 0.993 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -8.904 -2.036 1.717 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -2.452 -2.242 -1.173 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -1.915 -3.048 -1.337 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -1.909 -1.521 -1.538 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 2.159 6.526 -11.771 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 1.379 5.949 -11.583 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 2.710 6.441 -10.985 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -10.260 -3.842 -3.583 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -9.902 -3.382 -2.789 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -11.163 -4.119 -3.314 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 1.838 0.648 -10.072 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 2.326 0.988 -9.314 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 2.085 1.253 -10.812 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -1.719 3.984 -12.977 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -1.213 4.267 -13.770 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -2.655 4.141 -13.226 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -1.956 1.336 -12.184 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -2.908 1.502 -12.005 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -1.620 2.205 -12.489 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -7.150 1.245 -12.256 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -7.283 0.478 -11.660 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -6.211 1.487 -12.127 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -2.952 -5.899 -0.710 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -2.239 -5.257 -0.536 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -2.799 -6.173 -1.643 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -0.226 -2.685 1.868 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -0.180 -3.192 2.682 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -1.184 -2.501 1.754 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -0.899 -2.522 -8.130 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -0.122 -2.709 -7.562 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -0.606 -1.795 -8.704 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -4.581 2.065 -11.678 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -4.862 2.968 -11.426 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -4.705 1.534 -10.854 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -4.272 4.661 -13.809 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -4.638 4.581 -12.906 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -4.581 5.537 -14.113 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -6.793 3.330 -14.743 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -6.470 2.644 -14.135 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -5.978 3.692 -15.153 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -1.531 -0.866 -13.834 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -1.676 -0.137 -13.191 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -1.141 -0.427 -14.603 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -5.157 0.354 -9.681 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -5.981 -0.136 -9.867 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -4.470 -0.344 -9.622 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -6.040 -3.092 1.127 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -5.477 -3.757 1.571 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -5.610 -2.234 1.343 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 4.309 3.746 -13.734 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 4.411 4.721 -13.825 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 3.426 3.567 -14.116 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -5.771 -5.661 4.554 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -6.640 -5.347 4.295 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -5.160 -5.216 3.927 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -5.650 -6.381 -0.670 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -4.730 -6.049 -0.592 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -6.174 -5.582 -0.894 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -2.908 -2.338 1.470 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -2.794 -2.314 0.489 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -3.546 -1.620 1.652 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -4.104 -4.447 2.704 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -3.402 -4.834 3.282 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -3.638 -3.729 2.220 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -0.881 -8.584 1.641 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -0.160 -8.650 2.283 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -1.530 -9.251 1.946 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -0.019 -10.201 4.235 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 0.945 -10.235 4.411 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -0.425 -10.228 5.125 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -3.510 -9.653 5.137 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -2.743 -9.814 5.717 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -3.966 -8.887 5.549 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -7.376 5.616 -13.180 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -6.822 6.243 -13.692 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -7.445 4.836 -13.759 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 1.020 -0.657 -4.779 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 1.861 -0.141 -4.772 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 1.163 -1.330 -5.468 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 3.502 0.536 -4.943 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 4.231 -0.037 -5.283 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 3.959 1.270 -4.527 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 6.431 2.039 -13.611 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 7.171 2.576 -13.312 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 5.687 2.678 -13.694 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 1.863 -7.423 -12.868 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 2.595 -7.807 -13.399 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 1.336 -8.198 -12.597 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 1.325 -2.945 -6.432 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 1.288 -3.425 -5.594 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 2.077 -3.352 -6.906 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 0.295 -6.463 -2.783 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 0.842 -7.119 -3.260 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -0.325 -7.010 -2.260 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 5.369 -9.854 6.166 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 5.197 -8.958 6.487 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 5.443 -10.394 6.986 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -9.106 -2.351 -1.684 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -9.011 -2.139 -0.733 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -9.178 -1.472 -2.118 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 3.093 -4.897 -7.537 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 3.772 -5.333 -6.965 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 2.335 -5.491 -7.493 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -11.952 -4.060 -7.875 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -11.399 -4.233 -8.665 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -12.855 -4.091 -8.207 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -11.513 -7.288 -0.157 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -11.783 -7.975 0.480 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -12.246 -6.642 -0.132 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 4.419 -10.840 2.854 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 4.474 -11.641 2.295 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 5.292 -10.798 3.292 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 3.093 -9.757 -5.828 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 3.388 -10.666 -5.618 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 3.886 -9.323 -6.169 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 5.721 -7.955 -3.914 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 6.212 -8.550 -4.515 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 5.146 -8.559 -3.398 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -7.863 -11.224 5.636 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -8.669 -11.663 5.270 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -7.330 -11.957 5.969 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -7.017 -8.976 7.197 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -6.231 -8.511 6.837 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -7.245 -9.626 6.511 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -5.617 4.640 -11.362 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -5.747 5.033 -10.493 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -6.368 4.989 -11.898 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 3.068 -9.579 8.517 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 3.239 -9.197 9.399 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 3.642 -10.373 8.488 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 7.287 -8.639 19.909 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 7.105 -8.333 19.002 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 8.084 -8.139 20.171 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -2.671 -4.583 14.809 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -2.189 -4.642 15.667 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -2.207 -5.231 14.231 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -8.441 -7.073 17.617 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -7.827 -6.333 17.820 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -8.414 -7.147 16.642 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -1.301 -6.299 13.222 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -0.461 -6.455 13.701 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -1.012 -6.089 12.304 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 4.934 -6.633 18.516 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 5.211 -5.772 18.908 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 5.754 -6.989 18.123 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -7.788 -12.614 20.401 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -8.221 -11.743 20.576 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -8.237 -13.229 21.021 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 1.388 -6.556 13.980 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 1.497 -6.931 13.082 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 1.999 -7.081 14.530 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -6.995 -9.188 18.775 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -6.305 -8.780 18.206 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -7.687 -8.504 18.836 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 3.197 -3.491 17.924 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 2.663 -4.041 18.535 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 2.660 -3.447 17.116 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 1.954 -5.096 19.791 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 1.260 -4.732 20.393 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 2.707 -5.259 20.373 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -2.179 -5.412 4.336 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -1.615 -6.186 4.256 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -2.031 -5.101 5.261 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -2.053 -4.201 23.004 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -2.235 -4.966 23.557 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -2.678 -3.514 23.335 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -4.660 -5.590 10.968 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -4.519 -4.858 11.618 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -5.619 -5.567 10.787 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -4.773 -7.517 6.300 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -5.126 -6.819 5.698 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -4.309 -7.014 7.003 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -10.808 -9.636 15.692 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -10.340 -10.486 15.529 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -11.176 -9.395 14.809 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -4.336 -3.672 12.835 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -3.813 -4.068 13.566 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -4.125 -2.734 12.877 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -4.932 -8.351 17.191 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -4.521 -7.480 17.258 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -5.286 -8.381 16.275 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -6.040 -3.395 16.164 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -5.197 -2.890 16.183 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -6.351 -3.297 15.260 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -8.787 -7.844 14.939 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -9.193 -7.514 14.127 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -9.425 -8.509 15.268 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -1.170 -4.438 17.065 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -0.276 -4.342 16.661 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -1.004 -4.413 18.012 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -1.711 -4.902 6.963 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -2.408 -5.326 7.506 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -1.056 -4.611 7.606 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -11.182 -7.203 20.520 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -12.013 -6.730 20.306 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -10.932 -7.633 19.675 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -3.433 -7.788 12.046 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -2.726 -7.440 12.626 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -3.833 -6.984 11.648 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -7.076 -5.630 9.639 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -7.861 -5.097 9.461 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -6.470 -5.415 8.913 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -6.668 -5.012 18.267 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -6.951 -4.324 18.881 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -6.405 -4.515 17.455 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -5.951 -8.903 12.087 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -5.015 -8.614 11.986 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -6.354 -8.724 11.209 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -3.556 -6.270 8.509 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -3.912 -5.965 9.371 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -2.940 -7.001 8.753 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 1.313 -4.493 15.952 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 1.248 -4.838 15.042 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 1.784 -5.204 16.440 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -9.246 -11.711 14.849 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -8.807 -11.184 14.137 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -9.290 -12.611 14.483 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -4.842 -10.359 19.813 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -5.693 -10.024 19.445 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -4.322 -9.553 19.967 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -2.365 -10.718 21.588 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -1.942 -10.856 20.716 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -2.652 -9.787 21.570 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -3.573 -2.258 15.919 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -3.231 -3.078 15.506 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -2.836 -1.935 16.448 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -3.701 -8.220 21.468 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -4.390 -7.653 21.037 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -3.809 -8.039 22.431 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 0.256 -4.013 21.598 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 0.548 -3.202 22.026 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -0.636 -4.177 21.985 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -7.193 -6.735 23.121 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -6.957 -7.230 23.929 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -6.638 -5.945 23.160 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -4.025 -2.810 24.236 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -4.523 -2.202 24.786 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -4.458 -3.678 24.381 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -1.075 -8.067 20.868 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -0.719 -7.697 21.687 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -2.048 -7.966 20.961 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -6.240 -7.886 25.475 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -6.812 -8.681 25.330 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -6.326 -7.704 26.438 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 3.036 -7.889 6.397 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 2.961 -8.425 7.215 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 2.803 -8.513 5.683 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -0.144 -6.245 10.773 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -0.711 -6.782 10.191 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 0.627 -6.821 10.955 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 2.626 -6.533 17.147 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 2.838 -7.196 16.451 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 3.498 -6.321 17.547 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 5.506 -4.084 19.273 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 4.745 -3.748 18.746 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 5.911 -3.292 19.633 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -8.417 -7.626 20.895 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -9.315 -7.240 20.877 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -8.037 -7.313 21.751 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 6.418 -9.501 26.909 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 7.000 -8.813 26.577 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 6.046 -9.914 26.095 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 1.779 -8.068 11.627 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 2.729 -8.091 11.393 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 1.491 -9.010 11.541 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -10.625 -8.631 18.242 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -10.774 -8.972 17.333 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -9.830 -8.057 18.150 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 9.480 -6.923 20.163 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 9.280 -6.101 19.655 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 9.823 -6.602 21.006 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 4.807 -5.901 6.765 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 4.719 -5.327 6.001 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 4.107 -6.584 6.635 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -11.263 -9.085 13.046 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -12.160 -9.385 12.775 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -10.729 -9.175 12.233 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 3.299 -8.304 15.217 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 4.108 -8.651 15.652 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 3.129 -8.944 14.493 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -8.091 -10.427 12.847 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -8.734 -10.160 12.154 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -7.279 -9.930 12.621 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -9.649 -9.638 10.751 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -8.946 -9.040 10.411 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -9.795 -10.269 10.019 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -6.170 -8.691 14.801 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -7.093 -8.353 14.867 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -5.976 -8.662 13.839 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -7.428 -8.350 9.824 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -7.291 -8.638 8.891 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -7.330 -7.376 9.789 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -1.844 -8.098 9.580 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -1.130 -8.738 9.361 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -2.225 -8.436 10.410 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -7.785 -10.049 25.053 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -8.733 -10.129 24.833 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -7.656 -10.683 25.793 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -8.907 -14.319 22.247 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -9.563 -14.966 21.883 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -9.046 -14.360 23.206 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 0.413 -11.135 31.172 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 1.267 -11.615 31.050 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 0.559 -10.588 31.972 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 3.403 -10.906 26.843 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 3.987 -10.706 26.083 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 3.937 -10.663 27.624 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -5.684 -6.888 20.153 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -6.566 -7.217 20.410 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -5.871 -6.218 19.467 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -3.817 -8.432 27.948 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -4.747 -8.139 28.004 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -3.341 -7.837 28.576 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -2.141 -9.198 25.924 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -2.700 -8.994 26.708 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -1.328 -9.566 26.301 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 0.584 -9.778 33.615 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 1.200 -9.057 33.781 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 0.436 -10.177 34.505 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -2.644 -6.775 29.770 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -1.697 -6.641 29.860 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -2.972 -6.796 30.698 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -3.136 -6.998 32.452 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -3.453 -6.698 33.307 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -2.797 -7.908 32.625 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -3.816 -7.913 24.191 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -4.642 -8.048 24.707 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -3.118 -8.348 24.739 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -4.906 -5.401 24.551 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -4.378 -6.159 24.229 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -5.393 -5.760 25.306 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 5.191 -10.453 18.996 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 5.101 -11.423 19.139 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 5.991 -10.209 19.497 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 5.207 -10.720 28.988 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 5.761 -10.249 28.317 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 5.498 -10.358 29.830 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 0.282 -10.629 36.186 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 0.176 -11.588 36.363 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 0.113 -10.214 37.036 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -1.114 -11.582 28.908 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -0.517 -11.369 28.162 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -0.595 -11.334 29.705 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -6.456 -7.463 28.167 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -6.550 -6.802 28.863 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -7.222 -8.074 28.309 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -3.867 -11.062 28.966 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -3.930 -10.141 28.654 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -2.906 -11.240 28.993 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -5.191 14.292 -18.540 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -4.880 15.125 -18.170 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -6.147 14.328 -18.441 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -1.359 5.522 -21.267 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -1.699 6.424 -21.466 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -1.870 5.242 -20.479 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -5.248 8.671 -21.610 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -4.689 8.544 -22.401 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -6.125 8.922 -21.975 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -2.584 7.413 -18.427 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -1.621 7.505 -18.376 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -2.876 8.227 -18.906 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -7.817 8.702 -22.545 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -7.968 7.951 -23.159 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -8.215 8.402 -21.697 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 -3.842 12.240 -19.781 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 -4.337 12.870 -19.214 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 -3.543 12.776 -20.521 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -3.335 9.575 -19.890 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -3.431 10.542 -19.717 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -4.129 9.350 -20.423 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -5.075 6.895 -17.335 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -5.637 6.987 -18.139 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -4.186 7.188 -17.632 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -1.762 8.195 -21.676 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -2.205 8.764 -21.008 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -0.844 8.538 -21.711 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -3.531 8.191 -23.766 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -2.865 8.188 -23.041 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -2.995 8.102 -24.578 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 0.937 8.845 -21.844 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 0.734 8.761 -22.807 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 1.684 9.454 -21.814 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 6.760 -27.976 0.829 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 6.660 -28.887 0.528 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 6.248 -27.447 0.166 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 5.691 -30.051 7.240 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 4.732 -30.195 7.058 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 6.113 -30.088 6.358 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 5.338 -26.418 -0.876 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 5.820 -25.638 -1.209 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 4.461 -26.068 -0.639 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 7.504 -31.290 22.146 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 7.140 -31.585 23.006 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 7.843 -32.114 21.737 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 6.704 -32.447 19.180 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 7.308 -32.300 18.428 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 6.434 -31.551 19.446 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 4.493 -30.256 15.654 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 5.345 -30.215 16.133 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 3.824 -30.298 16.367 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 6.819 -28.642 11.205 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 7.428 -29.288 10.796 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 6.120 -28.511 10.528 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 10.147 -32.054 19.699 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 10.696 -31.645 20.390 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 9.580 -32.682 20.187 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 9.182 -28.721 8.289 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 10.125 -28.667 8.485 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 8.856 -29.441 8.878 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 6.719 -29.698 19.982 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 6.974 -30.188 20.794 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 6.930 -28.766 20.188 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 8.346 -30.644 10.067 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 7.852 -31.251 9.461 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 8.385 -31.134 10.909 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 9.017 -29.236 23.207 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 8.415 -28.492 23.430 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 8.443 -29.879 22.736 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 6.034 -32.639 4.292 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 5.322 -32.960 4.897 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 6.264 -33.414 3.771 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 7.520 -32.086 12.351 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 7.122 -32.900 12.007 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 6.763 -31.510 12.531 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 11.890 -30.943 21.786 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 12.769 -31.316 21.660 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 11.939 -30.063 21.357 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 12.212 -28.464 20.540 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 11.402 -28.274 20.003 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 12.937 -28.381 19.905 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 11.302 -26.890 13.942 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 11.132 -27.840 14.100 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.763 -26.439 14.620 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 6.716 -29.857 17.238 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 7.460 -30.499 17.171 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 6.537 -29.802 18.204 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 10.617 -29.400 15.063 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 10.455 -29.499 16.008 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 10.246 -30.218 14.671 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 9.553 -31.913 14.308 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 8.791 -31.893 13.692 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 10.100 -32.636 13.982 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 6.759 -32.174 8.542 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 6.085 -32.888 8.542 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 6.321 -31.434 8.068 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 7.425 -30.475 5.134 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 8.031 -31.006 5.663 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 6.874 -31.144 4.660 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 11.027 -33.486 35.002 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 10.434 -33.589 34.251 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 11.334 -34.378 35.187 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 15.944 -26.054 32.945 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 15.096 -26.034 33.436 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 16.378 -26.885 33.255 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 0.891 -36.137 28.415 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 0.871 -37.010 27.982 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 1.562 -35.634 27.901 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 12.901 -30.495 32.210 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 12.573 -31.191 31.603 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 13.104 -29.733 31.614 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 14.194 -29.511 34.408 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 13.773 -29.929 33.622 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 13.743 -29.923 35.162 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 11.827 -30.988 35.904 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 11.077 -30.416 35.641 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 11.565 -31.884 35.596 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 12.931 -30.366 28.357 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 13.890 -30.280 28.564 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 12.639 -29.441 28.222 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 10.597 -29.069 32.608 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 10.342 -29.147 33.550 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 11.406 -29.615 32.533 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 12.725 -30.620 38.455 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 12.436 -30.765 37.525 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 12.649 -31.485 38.863 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 11.851 -32.052 30.194 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 12.237 -31.425 29.540 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 12.018 -32.921 29.814 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 10.700 -31.546 27.085 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 10.751 -31.235 26.153 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 11.527 -31.217 27.490 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 9.182 -31.327 29.444 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 9.939 -31.530 30.019 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 9.545 -31.396 28.540 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 10.957 -30.644 24.508 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 11.397 -31.004 23.715 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 10.168 -30.182 24.149 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 12.562 -27.638 28.134 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 12.310 -27.807 27.195 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 13.086 -26.808 28.092 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 8.724 -33.095 25.870 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 9.007 -34.011 25.943 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 9.386 -32.596 26.393 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.483 -24.307 37.892 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 6.619 -24.286 38.354 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 7.546 -23.417 37.468 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 12.895 -27.926 38.478 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 13.696 -27.750 38.979 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 12.794 -28.907 38.525 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 9.904 -29.055 35.271 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 10.510 -28.346 35.586 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 9.018 -28.688 35.409 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 13.174 -28.255 30.736 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 14.055 -27.828 30.698 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 12.804 -28.114 29.839 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 16.697 -28.551 33.611 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 17.197 -29.316 33.317 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 15.884 -28.932 34.006 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 15.458 -29.455 28.931 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 15.512 -28.639 29.472 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 16.273 -29.453 28.423 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 9.152 -20.364 2.037 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 8.855 -21.302 2.040 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 9.269 -20.145 2.981 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 10.044 -24.205 0.065 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 9.629 -25.069 0.313 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 10.485 -24.388 -0.772 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 8.127 -18.123 0.918 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 8.330 -19.014 1.283 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 7.196 -18.192 0.623 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 10.271 -19.658 -2.527 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 10.550 -19.399 -1.620 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 10.446 -18.879 -3.060 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.635 -18.945 0.080 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 9.838 -18.396 0.203 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 10.533 -19.654 0.737 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 8.665 -12.110 2.447 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 9.431 -11.538 2.528 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 7.992 -11.696 3.033 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 5.074 -13.703 -2.910 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 5.462 -14.400 -2.326 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 5.487 -12.870 -2.590 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 5.435 -18.446 0.394 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 5.251 -17.695 1.012 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 4.647 -19.015 0.470 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.349 -22.969 1.894 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 7.517 -23.472 1.753 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.953 -23.303 1.196 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 12.313 -19.863 4.504 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 12.326 -20.843 4.389 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 13.073 -19.556 3.995 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 9.077 -26.472 1.079 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 8.372 -27.141 0.976 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 9.398 -26.600 1.997 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 5.925 -15.297 -0.895 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 5.650 -16.115 -0.463 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 6.604 -14.925 -0.290 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 6.803 -11.084 4.181 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 6.767 -11.984 4.585 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 6.406 -10.501 4.866 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 9.748 -18.937 4.387 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 9.708 -18.118 3.846 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 10.704 -19.158 4.421 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 12.324 -22.583 4.401 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 12.874 -23.199 4.942 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 12.089 -23.113 3.599 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 11.453 -24.296 2.514 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 11.097 -24.201 1.612 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 11.110 -25.158 2.818 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 8.335 -24.193 4.333 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 7.377 -24.313 4.413 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 8.443 -23.701 3.487 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 6.251 -21.079 7.842 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 7.010 -21.693 7.935 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 6.292 -20.789 6.926 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 6.316 -10.802 -4.805 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 6.927 -10.222 -5.310 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 6.821 -11.056 -4.020 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 8.446 -21.416 -1.587 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 9.038 -22.102 -1.262 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 9.042 -20.784 -2.051 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 5.968 -20.953 -0.677 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 6.866 -21.133 -1.058 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 5.990 -19.999 -0.468 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 6.260 -24.729 1.866 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 6.444 -25.679 1.825 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 6.024 -24.489 0.945 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 7.498 -14.196 1.105 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 7.137 -14.689 1.877 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 8.019 -13.466 1.510 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 9.903 -26.364 3.717 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 9.658 -27.066 4.361 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 9.368 -25.594 3.994 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 8.751 -28.021 5.601 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 8.932 -28.264 6.529 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 8.225 -28.771 5.256 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 6.293 -22.049 16.635 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 5.563 -21.492 16.931 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 6.307 -22.790 17.283 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 9.723 -20.863 14.881 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 9.816 -21.807 15.119 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.604 -20.871 13.907 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 9.217 -21.174 12.128 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 9.662 -20.974 11.273 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 9.020 -22.115 12.074 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 6.104 -23.373 13.850 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 6.724 -24.099 13.632 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 6.614 -22.791 14.430 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 7.940 -27.413 17.458 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 7.622 -27.210 18.360 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 7.464 -28.239 17.217 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 9.361 -25.886 15.686 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 8.765 -25.798 14.912 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.853 -26.441 16.319 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 4.255 -13.909 8.971 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 3.919 -13.363 9.704 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 3.450 -14.302 8.575 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 7.570 -19.159 9.266 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 8.259 -19.225 8.570 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 6.857 -19.750 8.948 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 8.136 -19.971 16.974 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 7.524 -20.721 16.838 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 8.794 -20.068 16.250 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 5.700 -16.113 9.792 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 6.367 -16.336 9.114 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 5.229 -15.340 9.420 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 7.589 -17.351 17.859 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 8.500 -17.131 18.087 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 7.648 -18.254 17.486 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 9.006 -15.935 12.657 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 9.108 -15.506 11.782 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 9.698 -16.603 12.677 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 5.655 -6.422 9.279 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 6.212 -5.673 9.514 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 5.372 -6.230 8.354 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 7.839 -17.593 20.887 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 8.331 -18.423 20.687 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 7.277 -17.461 20.106 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 13.166 -25.517 16.048 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 13.802 -24.770 16.101 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 13.004 -25.625 15.099 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 12.293 -21.758 16.148 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 11.869 -20.972 15.777 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 11.563 -22.409 16.221 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 8.516 -22.693 8.035 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 8.632 -23.512 8.568 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 9.113 -22.822 7.268 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 10.036 -23.321 16.181 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 9.957 -24.267 15.919 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 9.528 -23.262 17.000 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 13.322 -24.459 6.099 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 13.764 -25.296 5.927 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 12.911 -24.581 6.978 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 7.944 -25.482 13.328 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 8.748 -25.442 12.760 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 7.441 -26.229 12.973 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 11.690 -23.400 10.712 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 11.931 -23.792 9.852 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 11.396 -22.497 10.488 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 10.281 -23.377 6.041 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 9.556 -23.749 5.486 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 10.986 -23.157 5.394 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 8.836 -19.912 19.750 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 9.306 -20.734 19.967 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 8.631 -19.996 18.799 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 9.062 -24.998 9.390 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 9.364 -25.272 10.285 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 8.354 -25.644 9.166 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 14.555 -23.173 16.546 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 15.344 -22.642 16.397 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 13.808 -22.561 16.335 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 7.517 -18.822 11.924 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 8.060 -19.580 12.203 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 7.506 -18.887 10.940 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 10.611 -22.399 20.073 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 10.916 -23.233 20.481 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 11.267 -22.223 19.384 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.507 -14.987 20.097 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 8.828 -14.392 20.779 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 8.411 -15.846 20.551 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 7.868 -16.475 8.029 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 7.892 -16.310 7.062 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 8.033 -17.433 8.108 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 11.489 -24.592 8.192 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 10.705 -24.878 8.705 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 11.110 -24.243 7.358 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 9.369 -16.671 2.849 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 9.701 -15.878 2.410 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 8.836 -17.124 2.152 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 6.689 -13.764 11.562 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 7.488 -13.946 11.034 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 6.503 -12.820 11.398 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 4.282 -12.969 23.904 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 3.377 -13.043 24.261 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 4.529 -13.900 23.683 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 6.584 -19.869 24.753 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 5.919 -20.519 25.053 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 6.831 -19.390 25.575 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 9.152 -19.090 7.084 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 9.957 -19.628 7.210 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.132 -18.918 6.120 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 10.092 -22.525 22.837 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 10.301 -22.215 21.938 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 9.208 -22.142 23.023 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 10.326 -21.217 9.594 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 10.883 -20.846 8.879 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 9.560 -21.598 9.121 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 12.690 -24.086 18.470 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 12.429 -24.703 17.765 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 13.457 -23.614 18.096 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 11.360 -20.749 7.047 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 11.224 -21.628 6.656 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 11.891 -20.272 6.380 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 11.933 -24.759 20.968 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.871 -25.717 20.899 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 12.331 -24.483 20.110 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 10.320 -27.773 18.775 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 11.018 -27.840 18.083 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 9.495 -27.652 18.270 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 11.876 -25.072 23.775 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 11.589 -25.986 23.563 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 11.835 -24.606 22.914 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 12.351 -27.949 16.998 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 12.322 -28.416 16.150 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 12.765 -27.084 16.780 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 15.008 -22.570 25.377 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 14.745 -23.514 25.299 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 15.490 -22.393 24.563 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 11.266 -27.638 23.010 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 11.691 -27.941 22.180 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 10.444 -28.174 23.067 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 12.035 -28.283 25.567 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 11.800 -29.216 25.410 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 11.857 -27.849 24.711 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 7.926 -16.095 5.214 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.650 -16.361 4.618 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 7.171 -15.945 4.610 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 3.133 -10.406 13.474 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 3.130 -10.633 12.512 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 2.308 -10.787 13.803 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 5.472 -9.543 16.409 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 5.281 -10.005 17.255 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 6.186 -8.916 16.639 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 6.729 -17.471 23.419 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 7.162 -17.508 22.536 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 6.705 -18.407 23.713 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 5.255 -10.542 24.688 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 4.969 -11.426 24.367 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 5.621 -10.104 23.883 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 6.526 -14.727 18.220 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 6.659 -15.623 17.863 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.251 -14.624 18.874 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 10.249 -25.463 11.816 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 10.844 -24.720 11.556 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 10.805 -26.019 12.408 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 8.865 -14.876 10.105 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 9.460 -14.360 9.548 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 8.458 -15.522 9.484 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 7.241 -26.792 8.541 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 6.423 -27.267 8.817 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 7.901 -27.509 8.408 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 3.124 -22.249 31.823 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 3.477 -21.871 32.647 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 3.302 -23.201 31.905 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 4.099 -21.414 34.234 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 3.975 -21.734 35.145 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 5.055 -21.569 34.052 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 9.171 -24.166 32.290 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 9.777 -23.668 31.710 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 9.679 -24.296 33.111 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 6.748 -21.883 33.781 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 7.615 -22.172 34.130 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 6.976 -21.137 33.174 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 10.590 -20.744 32.548 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 11.411 -20.240 32.567 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 10.773 -21.477 31.916 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 10.134 -24.926 37.348 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 10.595 -24.606 38.134 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 9.194 -24.687 37.508 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 9.374 -21.867 34.760 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 9.736 -21.301 34.046 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 9.911 -22.685 34.709 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 6.748 -18.617 27.160 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 6.703 -18.436 28.129 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 6.602 -17.738 26.750 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 13.534 -26.749 34.362 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 13.858 -27.667 34.282 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 12.817 -26.810 35.020 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 9.259 -21.352 29.099 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 8.359 -21.397 28.718 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 9.793 -20.915 28.397 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 11.525 -27.084 36.295 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 12.068 -27.432 37.044 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 11.003 -26.361 36.699 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 14.246 -25.219 25.192 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 13.990 -25.337 26.133 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 13.391 -25.211 24.711 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 10.753 -24.236 34.657 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 10.494 -24.545 35.551 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 11.641 -24.598 34.531 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 10.945 -22.716 30.668 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 10.249 -22.236 30.151 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 11.658 -22.873 30.010 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 13.884 -25.281 27.922 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 14.789 -25.077 28.250 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 13.358 -24.489 28.168 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 5.925 -23.766 28.932 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 6.233 -22.858 28.749 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 5.988 -23.849 29.897 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 16.398 -24.717 28.875 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 16.863 -24.511 29.723 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 17.079 -25.193 28.338 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 7.916 -20.060 32.152 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 7.798 -19.713 31.259 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 8.878 -20.220 32.221 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 12.491 -22.988 28.414 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 13.356 -22.517 28.375 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 12.097 -22.838 27.525 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 11.623 -23.036 25.708 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 11.665 -23.746 25.035 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 11.157 -22.316 25.260 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 7.492 -21.954 23.229 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 7.269 -21.110 23.678 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 6.805 -22.579 23.541 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 6.721 -21.303 27.877 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 6.777 -20.338 27.730 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 6.054 -21.601 27.231 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 16.349 -26.974 25.345 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 15.688 -26.260 25.213 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 15.896 -27.769 25.056 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 15.094 -22.300 28.114 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 15.224 -22.334 27.145 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 15.705 -22.975 28.461 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 18.033 -26.273 27.351 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 18.906 -26.561 27.074 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 17.450 -26.508 26.592 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 10.670 -20.166 27.040 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 10.353 -19.433 26.505 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 11.606 -20.279 26.762 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 13.293 -20.436 26.221 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 13.645 -21.250 25.812 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 14.035 -20.087 26.726 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 6.355 -16.202 25.872 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 6.287 -15.277 25.609 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 6.517 -16.677 25.027 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 3.919 -17.584 35.372 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 3.534 -18.070 34.617 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 3.522 -16.686 35.303 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 7.437 -21.903 36.656 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 8.281 -21.757 36.173 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 6.757 -21.646 36.021 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 2.499 -19.283 33.740 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 2.168 -19.363 32.833 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 3.069 -20.077 33.861 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 4.817 -24.057 38.578 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 4.156 -23.929 39.272 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 4.629 -23.335 37.936 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 17.525 -24.498 31.323 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 16.971 -24.951 31.998 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 18.333 -24.277 31.792 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 5.149 -15.768 28.471 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 4.714 -14.896 28.577 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 5.385 -15.806 27.528 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 15.597 -27.029 30.347 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 15.841 -26.267 29.790 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 15.799 -26.732 31.259 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 7.666 -4.269 -11.601 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 7.926 -4.985 -11.000 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 6.943 -4.656 -12.133 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 7.008 -1.214 -8.034 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 6.615 -1.514 -8.887 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 7.287 -0.307 -8.207 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 5.679 -0.849 -5.722 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 6.084 -0.984 -6.601 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 6.027 -1.593 -5.184 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 6.840 -3.129 -4.731 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 6.856 -3.982 -4.260 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 7.485 -3.243 -5.452 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 4.890 -6.380 -6.140 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 5.820 -6.244 -6.406 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 4.953 -6.831 -5.279 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 4.881 -4.585 -9.682 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 5.272 -3.688 -9.701 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 4.267 -4.566 -8.915 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 8.371 -3.344 -7.026 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 7.821 -2.601 -7.369 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 9.269 -3.112 -7.289 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 5.779 -0.320 -14.738 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 6.156 0.496 -14.325 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 6.269 -0.416 -15.561 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 6.239 -2.232 -10.440 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 5.690 -1.979 -11.216 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 6.930 -2.823 -10.821 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 7.621 -5.938 -6.501 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 7.961 -5.079 -6.837 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 7.672 -5.846 -5.523 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 7.339 -5.733 -3.778 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 7.818 -5.723 -2.942 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 6.717 -6.491 -3.692 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 7.101 -6.303 -9.578 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 7.317 -6.483 -8.650 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 6.289 -5.759 -9.535 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 6.456 -7.820 -11.798 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 6.848 -7.395 -11.004 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 5.962 -7.093 -12.234 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 5.996 -7.655 12.972 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 5.384 -7.685 12.218 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 6.072 -8.590 13.253 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 9.154 -4.928 18.322 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 8.560 -4.330 17.856 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 9.477 -5.531 17.633 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 9.981 -7.566 17.507 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 9.952 -7.553 18.487 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 10.832 -7.967 17.299 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 6.467 -6.131 15.146 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 5.954 -5.340 14.956 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 6.359 -6.687 14.336 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 7.239 -7.594 17.259 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 7.020 -7.031 16.471 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 8.220 -7.647 17.247 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 4.433 -8.368 10.704 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 5.022 -9.133 10.595 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 4.863 -7.652 10.169 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 6.304 -9.688 22.302 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 6.180 -10.604 21.971 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 6.639 -9.197 21.525 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 5.835 -10.287 13.741 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 4.861 -10.411 13.673 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 6.001 -10.250 14.703 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 5.873 -11.093 11.105 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 6.082 -10.794 12.016 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 4.901 -11.301 11.136 1.00 0.00 WAT1 END