REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -668.233, 78.2775, 102.474, 49.7651, 565.289, -612.342, -856.405, 4.51792, 0.190094 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.257662E-03,0.431113,1.1634,42.3042,4.988029E-03,0.144227 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 45, 7 REMARK =============================================================== REMARK DATE:13-Sep-2010 14:10:19 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 5.860 -3.515 -2.579 1.00 72.53 ATOM 2 CB MET 1 4.285 -2.512 -1.506 1.00 4.43 ATOM 3 HB1 MET 1 3.366 -2.795 -1.009 1.00 37.26 ATOM 4 HB2 MET 1 4.057 -1.767 -2.253 1.00 21.32 ATOM 5 CG MET 1 5.206 -1.875 -0.474 1.00 64.12 ATOM 6 HG1 MET 1 6.118 -1.570 -0.966 1.00 37.26 ATOM 7 HG2 MET 1 5.438 -2.608 0.285 1.00 20.32 ATOM 8 SD MET 1 4.474 -0.434 0.326 1.00 54.41 ATOM 9 CE MET 1 3.008 -1.165 1.058 1.00 71.34 ATOM 10 HE1 MET 1 2.361 -1.533 0.276 1.00 73.34 ATOM 11 HE2 MET 1 2.485 -0.419 1.636 1.00 42.30 ATOM 12 HE3 MET 1 3.296 -1.983 1.702 1.00 74.20 ATOM 13 C MET 1 4.983 -4.928 -1.220 1.00 3.22 ATOM 14 O MET 1 4.298 -5.940 -1.377 1.00 61.42 ATOM 15 N MET 1 4.016 -4.120 -3.369 1.00 2.15 ATOM 16 HT1 MET 1 3.039 -4.300 -3.054 1.00 37.26 ATOM 17 HT2 MET 1 4.381 -4.979 -3.826 1.00 37.26 ATOM 18 HT3 MET 1 4.009 -3.351 -4.069 1.00 37.26 ATOM 19 CA MET 1 4.872 -3.751 -2.208 1.00 4.23 ATOM 20 N GLY 2 5.880 -4.812 -0.236 1.00 22.43 ATOM 21 HN GLY 2 6.472 -4.031 -0.217 1.00 37.26 ATOM 22 CA GLY 2 5.995 -5.825 0.814 1.00 64.22 ATOM 23 HA1 GLY 2 5.005 -6.179 1.064 1.00 37.26 ATOM 24 HA2 GLY 2 6.423 -5.359 1.689 1.00 40.01 ATOM 25 C GLY 2 6.861 -7.024 0.433 1.00 12.04 ATOM 26 O GLY 2 7.394 -7.711 1.307 1.00 53.11 ATOM 27 N HIS 3 7.026 -7.271 -0.864 1.00 1.44 ATOM 28 HN HIS 3 6.667 -6.635 -1.518 1.00 37.26 ATOM 29 CA HIS 3 7.754 -8.453 -1.339 1.00 72.42 ATOM 30 HA HIS 3 7.512 -9.269 -0.674 1.00 75.45 ATOM 31 CB HIS 3 7.287 -8.826 -2.750 1.00 12.04 ATOM 32 HB1 HIS 3 7.881 -9.653 -3.115 1.00 37.26 ATOM 33 HB2 HIS 3 7.421 -7.976 -3.405 1.00 33.31 ATOM 34 CG HIS 3 5.844 -9.231 -2.803 1.00 65.41 ATOM 35 ND1 HIS 3 4.812 -8.341 -3.022 1.00 23.31 ATOM 36 HD1 HIS 3 4.906 -7.376 -3.172 1.00 63.13 ATOM 37 CD2 HIS 3 5.260 -10.442 -2.653 1.00 3.35 ATOM 38 HD2 HIS 3 5.767 -11.379 -2.473 1.00 60.24 ATOM 39 CE1 HIS 3 3.664 -8.986 -3.001 1.00 4.11 ATOM 40 HE1 HIS 3 2.689 -8.545 -3.145 1.00 53.44 ATOM 41 NE2 HIS 3 3.906 -10.261 -2.781 1.00 21.30 ATOM 42 HE2 HIS 3 3.245 -10.982 -2.878 1.00 37.26 ATOM 43 C HIS 3 9.278 -8.249 -1.304 1.00 73.01 ATOM 44 O HIS 3 9.925 -8.073 -2.342 1.00 54.23 ATOM 45 N HIS 4 9.833 -8.249 -0.091 1.00 22.14 ATOM 46 HN HIS 4 9.244 -8.321 0.690 1.00 37.26 ATOM 47 CA HIS 4 11.285 -8.137 0.119 1.00 64.30 ATOM 48 HA HIS 4 11.776 -8.573 -0.742 1.00 40.44 ATOM 49 CB HIS 4 11.712 -6.665 0.238 1.00 43.43 ATOM 50 HB1 HIS 4 12.728 -6.620 0.612 1.00 37.26 ATOM 51 HB2 HIS 4 11.059 -6.161 0.934 1.00 42.40 ATOM 52 CG HIS 4 11.673 -5.912 -1.058 1.00 65.52 ATOM 53 ND1 HIS 4 12.618 -6.077 -2.044 1.00 52.25 ATOM 54 HD1 HIS 4 13.397 -6.676 -1.994 1.00 61.22 ATOM 55 CD2 HIS 4 10.794 -4.999 -1.536 1.00 61.31 ATOM 56 HD2 HIS 4 9.913 -4.628 -1.030 1.00 51.51 ATOM 57 CE1 HIS 4 12.334 -5.297 -3.064 1.00 41.42 ATOM 58 HE1 HIS 4 12.901 -5.224 -3.980 1.00 54.12 ATOM 59 NE2 HIS 4 11.233 -4.633 -2.784 1.00 24.52 ATOM 60 HE2 HIS 4 10.866 -3.898 -3.324 1.00 37.26 ATOM 61 C HIS 4 11.741 -8.906 1.374 1.00 4.53 ATOM 62 O HIS 4 12.907 -8.834 1.759 1.00 35.22 ATOM 63 N HIS 5 10.830 -9.650 2.002 1.00 55.13 ATOM 64 HN HIS 5 9.932 -9.733 1.617 1.00 37.26 ATOM 65 CA HIS 5 11.152 -10.387 3.229 1.00 3.52 ATOM 66 HA HIS 5 11.909 -9.821 3.758 1.00 73.43 ATOM 67 CB HIS 5 9.914 -10.503 4.129 1.00 31.30 ATOM 68 HB1 HIS 5 10.140 -11.156 4.959 1.00 37.26 ATOM 69 HB2 HIS 5 9.101 -10.926 3.557 1.00 70.13 ATOM 70 CG HIS 5 9.454 -9.188 4.683 1.00 24.13 ATOM 71 ND1 HIS 5 9.768 -8.757 5.954 1.00 34.44 ATOM 72 HD1 HIS 5 10.292 -9.258 6.616 1.00 54.42 ATOM 73 CD2 HIS 5 8.696 -8.206 4.136 1.00 40.42 ATOM 74 HD2 HIS 5 8.271 -8.202 3.144 1.00 60.42 ATOM 75 CE1 HIS 5 9.230 -7.574 6.163 1.00 2.43 ATOM 76 HE1 HIS 5 9.313 -6.995 7.072 1.00 55.02 ATOM 77 NE2 HIS 5 8.574 -7.214 5.079 1.00 13.53 ATOM 78 HE2 HIS 5 7.919 -6.485 5.046 1.00 37.26 ATOM 79 C HIS 5 11.723 -11.779 2.916 1.00 13.12 ATOM 80 O HIS 5 10.979 -12.741 2.702 1.00 51.23 ATOM 81 N HIS 6 13.050 -11.870 2.887 1.00 0.12 ATOM 82 HN HIS 6 13.580 -11.072 3.089 1.00 37.26 ATOM 83 CA HIS 6 13.745 -13.123 2.574 1.00 74.34 ATOM 84 HA HIS 6 13.024 -13.929 2.624 1.00 10.14 ATOM 85 CB HIS 6 14.324 -13.063 1.150 1.00 64.54 ATOM 86 HB1 HIS 6 13.511 -13.057 0.440 1.00 37.26 ATOM 87 HB2 HIS 6 14.934 -13.938 0.978 1.00 4.13 ATOM 88 CG HIS 6 15.172 -11.849 0.889 1.00 72.03 ATOM 89 ND1 HIS 6 14.696 -10.720 0.255 1.00 3.44 ATOM 90 HD1 HIS 6 13.784 -10.593 -0.086 1.00 64.43 ATOM 91 CD2 HIS 6 16.470 -11.586 1.182 1.00 72.24 ATOM 92 HD2 HIS 6 17.159 -12.248 1.686 1.00 70.33 ATOM 93 CE1 HIS 6 15.656 -9.824 0.172 1.00 3.33 ATOM 94 HE1 HIS 6 15.568 -8.843 -0.270 1.00 33.22 ATOM 95 NE2 HIS 6 16.741 -10.320 0.725 1.00 32.51 ATOM 96 HE2 HIS 6 17.539 -9.796 0.956 1.00 37.26 ATOM 97 C HIS 6 14.864 -13.407 3.588 1.00 62.43 ATOM 98 O HIS 6 15.444 -12.485 4.165 1.00 30.12 ATOM 99 N HIS 7 15.171 -14.685 3.797 1.00 53.11 ATOM 100 HN HIS 7 14.680 -15.379 3.305 1.00 37.26 ATOM 101 CA HIS 7 16.227 -15.087 4.733 1.00 33.12 ATOM 102 HA HIS 7 16.694 -14.188 5.111 1.00 35.40 ATOM 103 CB HIS 7 15.627 -15.865 5.915 1.00 11.24 ATOM 104 HB1 HIS 7 16.424 -16.168 6.581 1.00 37.26 ATOM 105 HB2 HIS 7 15.126 -16.745 5.542 1.00 45.12 ATOM 106 CG HIS 7 14.634 -15.078 6.715 1.00 62.31 ATOM 107 ND1 HIS 7 14.997 -14.066 7.578 1.00 5.10 ATOM 108 HD1 HIS 7 15.913 -13.754 7.742 1.00 14.23 ATOM 109 CD2 HIS 7 13.282 -15.155 6.783 1.00 62.22 ATOM 110 HD2 HIS 7 12.648 -15.838 6.234 1.00 64.21 ATOM 111 CE1 HIS 7 13.920 -13.559 8.141 1.00 3.25 ATOM 112 HE1 HIS 7 13.903 -12.749 8.856 1.00 5.20 ATOM 113 NE2 HIS 7 12.870 -14.199 7.678 1.00 45.11 ATOM 114 HE2 HIS 7 11.937 -13.972 7.882 1.00 37.26 ATOM 115 C HIS 7 17.304 -15.933 4.035 1.00 44.24 ATOM 116 O HIS 7 17.002 -16.750 3.163 1.00 13.25 ATOM 117 N HIS 8 18.561 -15.728 4.433 1.00 45.30 ATOM 118 HN HIS 8 18.731 -15.073 5.143 1.00 37.26 ATOM 119 CA HIS 8 19.697 -16.456 3.852 1.00 52.11 ATOM 120 HA HIS 8 19.602 -16.413 2.776 1.00 41.24 ATOM 121 CB HIS 8 21.012 -15.775 4.263 1.00 73.32 ATOM 122 HB1 HIS 8 21.140 -15.870 5.333 1.00 37.26 ATOM 123 HB2 HIS 8 20.958 -14.726 4.008 1.00 20.03 ATOM 124 CG HIS 8 22.236 -16.344 3.598 1.00 13.22 ATOM 125 ND1 HIS 8 23.227 -17.013 4.285 1.00 24.43 ATOM 126 HD1 HIS 8 23.237 -17.189 5.251 1.00 4.14 ATOM 127 CD2 HIS 8 22.635 -16.326 2.302 1.00 71.52 ATOM 128 HD2 HIS 8 22.102 -15.886 1.470 1.00 11.15 ATOM 129 CE1 HIS 8 24.175 -17.378 3.447 1.00 15.11 ATOM 130 HE1 HIS 8 25.077 -17.912 3.708 1.00 2.13 ATOM 131 NE2 HIS 8 23.842 -16.977 2.240 1.00 74.12 ATOM 132 HE2 HIS 8 24.296 -17.248 1.415 1.00 37.26 ATOM 133 C HIS 8 19.688 -17.933 4.289 1.00 64.21 ATOM 134 O HIS 8 20.310 -18.788 3.654 1.00 52.21 ATOM 135 N SER 9 18.973 -18.217 5.373 1.00 74.02 ATOM 136 HN SER 9 18.540 -17.484 5.857 1.00 37.26 ATOM 137 CA SER 9 18.805 -19.590 5.875 1.00 61.14 ATOM 138 HA SER 9 19.214 -20.275 5.145 1.00 25.04 ATOM 139 CB SER 9 19.542 -19.770 7.212 1.00 14.24 ATOM 140 HB1 SER 9 19.493 -20.807 7.510 1.00 37.26 ATOM 141 HB2 SER 9 19.066 -19.160 7.966 1.00 33.41 ATOM 142 OG SER 9 20.907 -19.386 7.119 1.00 72.51 ATOM 143 HG SER 9 21.359 -19.957 6.484 1.00 60.50 ATOM 144 C SER 9 17.317 -19.907 6.078 1.00 15.13 ATOM 145 O SER 9 16.460 -19.032 5.926 1.00 21.34 ATOM 146 N HIS 10 17.007 -21.154 6.421 1.00 34.04 ATOM 147 HN HIS 10 17.715 -21.836 6.446 1.00 37.26 ATOM 148 CA HIS 10 15.631 -21.535 6.763 1.00 72.21 ATOM 149 HA HIS 10 14.979 -21.158 5.987 1.00 21.35 ATOM 150 CB HIS 10 15.495 -23.062 6.831 1.00 14.11 ATOM 151 HB1 HIS 10 14.557 -23.315 7.308 1.00 37.26 ATOM 152 HB2 HIS 10 16.307 -23.462 7.419 1.00 52.44 ATOM 153 CG HIS 10 15.525 -23.733 5.493 1.00 53.10 ATOM 154 ND1 HIS 10 16.489 -24.645 5.126 1.00 14.20 ATOM 155 HD1 HIS 10 17.253 -24.927 5.675 1.00 41.14 ATOM 156 CD2 HIS 10 14.679 -23.644 4.440 1.00 33.51 ATOM 157 HD2 HIS 10 13.796 -23.023 4.376 1.00 52.40 ATOM 158 CE1 HIS 10 16.237 -25.084 3.913 1.00 61.43 ATOM 159 HE1 HIS 10 16.822 -25.812 3.371 1.00 52.54 ATOM 160 NE2 HIS 10 15.146 -24.496 3.472 1.00 71.30 ATOM 161 HE2 HIS 10 14.629 -24.796 2.693 1.00 37.26 ATOM 162 C HIS 10 15.203 -20.923 8.107 1.00 75.43 ATOM 163 O HIS 10 16.036 -20.689 8.983 1.00 13.00 ATOM 164 N MET 11 13.904 -20.663 8.265 1.00 73.23 ATOM 165 HN MET 11 13.290 -20.807 7.515 1.00 37.26 ATOM 166 CA MET 11 13.379 -20.172 9.541 1.00 42.11 ATOM 167 HA MET 11 13.972 -19.312 9.828 1.00 74.24 ATOM 168 CB MET 11 11.912 -19.732 9.406 1.00 61.32 ATOM 169 HB1 MET 11 11.490 -19.603 10.394 1.00 37.26 ATOM 170 HB2 MET 11 11.360 -20.504 8.889 1.00 64.14 ATOM 171 CG MET 11 11.736 -18.425 8.642 1.00 44.12 ATOM 172 HG1 MET 11 12.317 -17.656 9.133 1.00 37.26 ATOM 173 HG2 MET 11 10.694 -18.150 8.662 1.00 33.43 ATOM 174 SD MET 11 12.269 -18.535 6.920 1.00 0.53 ATOM 175 CE MET 11 11.054 -19.670 6.250 1.00 64.31 ATOM 176 HE1 MET 11 11.097 -20.603 6.793 1.00 45.41 ATOM 177 HE2 MET 11 11.268 -19.851 5.207 1.00 24.44 ATOM 178 HE3 MET 11 10.068 -19.241 6.347 1.00 4.33 ATOM 179 C MET 11 13.528 -21.244 10.625 1.00 44.12 ATOM 180 O MET 11 12.695 -22.145 10.754 1.00 64.20 ATOM 181 N ASN 12 14.624 -21.152 11.371 1.00 22.25 ATOM 182 HN ASN 12 15.231 -20.395 11.223 1.00 37.26 ATOM 183 CA ASN 12 14.958 -22.139 12.398 1.00 25.14 ATOM 184 HA ASN 12 15.048 -23.101 11.912 1.00 30.01 ATOM 185 CB ASN 12 16.300 -21.784 13.048 1.00 70.11 ATOM 186 HB1 ASN 12 16.206 -20.836 13.559 1.00 37.26 ATOM 187 HB2 ASN 12 17.054 -21.699 12.277 1.00 45.12 ATOM 188 CG ASN 12 16.758 -22.826 14.050 1.00 63.34 ATOM 189 OD1 ASN 12 16.392 -22.782 15.218 1.00 35.54 ATOM 190 ND2 ASN 12 17.566 -23.765 13.603 1.00 70.40 ATOM 191 HD21 ASN 12 17.826 -23.742 12.659 1.00 64.51 ATOM 192 HD22 ASN 12 17.870 -24.448 14.234 1.00 62.45 ATOM 193 C ASN 12 13.853 -22.225 13.460 1.00 4.54 ATOM 194 O ASN 12 13.562 -21.250 14.160 1.00 13.43 ATOM 195 N SER 13 13.240 -23.399 13.572 1.00 50.14 ATOM 196 HN SER 13 13.537 -24.143 13.006 1.00 37.26 ATOM 197 CA SER 13 12.132 -23.615 14.509 1.00 41.23 ATOM 198 HA SER 13 11.378 -22.869 14.301 1.00 32.31 ATOM 199 CB SER 13 11.517 -25.005 14.299 1.00 24.33 ATOM 200 HB1 SER 13 10.764 -25.182 15.053 1.00 37.26 ATOM 201 HB2 SER 13 12.289 -25.755 14.382 1.00 43.34 ATOM 202 OG SER 13 10.915 -25.117 13.020 1.00 34.34 ATOM 203 HG SER 13 10.833 -26.050 12.782 1.00 42.45 ATOM 204 C SER 13 12.579 -23.464 15.969 1.00 74.45 ATOM 205 O SER 13 11.797 -23.050 16.825 1.00 25.41 ATOM 206 N ALA 14 13.838 -23.787 16.253 1.00 34.54 ATOM 207 HN ALA 14 14.433 -24.076 15.529 1.00 37.26 ATOM 208 CA ALA 14 14.359 -23.709 17.622 1.00 2.24 ATOM 209 HA ALA 14 13.691 -24.281 18.254 1.00 73.03 ATOM 210 CB ALA 14 15.742 -24.348 17.710 1.00 41.45 ATOM 211 HB1 ALA 14 16.434 -23.801 17.085 1.00 11.10 ATOM 212 HB2 ALA 14 15.688 -25.374 17.374 1.00 20.23 ATOM 213 HB3 ALA 14 16.087 -24.324 18.734 1.00 31.00 ATOM 214 C ALA 14 14.391 -22.258 18.136 1.00 53.44 ATOM 215 O ALA 14 14.098 -22.004 19.305 1.00 21.14 ATOM 216 N GLU 15 14.736 -21.310 17.256 1.00 74.32 ATOM 217 HN GLU 15 15.002 -21.578 16.350 1.00 37.26 ATOM 218 CA GLU 15 14.740 -19.879 17.610 1.00 53.24 ATOM 219 HA GLU 15 15.514 -19.718 18.348 1.00 73.42 ATOM 220 CB GLU 15 15.036 -19.012 16.376 1.00 41.30 ATOM 221 HB1 GLU 15 15.029 -17.974 16.675 1.00 37.26 ATOM 222 HB2 GLU 15 14.250 -19.169 15.650 1.00 31.13 ATOM 223 CG GLU 15 16.369 -19.303 15.696 1.00 2.51 ATOM 224 HG1 GLU 15 16.372 -20.331 15.362 1.00 37.26 ATOM 225 HG2 GLU 15 17.165 -19.159 16.414 1.00 74.12 ATOM 226 CD GLU 15 16.619 -18.401 14.493 1.00 14.15 ATOM 227 OE1 GLU 15 15.789 -18.409 13.557 1.00 72.14 ATOM 228 OE2 GLU 15 17.644 -17.684 14.478 1.00 31.44 ATOM 229 C GLU 15 13.389 -19.448 18.203 1.00 22.54 ATOM 230 O GLU 15 13.313 -18.975 19.340 1.00 23.13 ATOM 231 N GLN 16 12.327 -19.619 17.415 1.00 14.42 ATOM 232 HN GLN 16 12.458 -19.993 16.520 1.00 37.26 ATOM 233 CA GLN 16 10.972 -19.255 17.844 1.00 32.22 ATOM 234 HA GLN 16 10.996 -18.213 18.137 1.00 23.15 ATOM 235 CB GLN 16 9.976 -19.414 16.678 1.00 60.30 ATOM 236 HB1 GLN 16 10.262 -18.737 15.883 1.00 37.26 ATOM 237 HB2 GLN 16 8.989 -19.143 17.025 1.00 31.42 ATOM 238 CG GLN 16 9.910 -20.826 16.104 1.00 54.44 ATOM 239 HG1 GLN 16 9.629 -21.508 16.895 1.00 37.26 ATOM 240 HG2 GLN 16 10.889 -21.094 15.735 1.00 63.11 ATOM 241 CD GLN 16 8.910 -20.961 14.966 1.00 24.13 ATOM 242 OE1 GLN 16 7.741 -21.267 15.180 1.00 14.32 ATOM 243 NE2 GLN 16 9.364 -20.742 13.746 1.00 45.44 ATOM 244 HE21 GLN 16 10.305 -20.508 13.636 1.00 51.04 ATOM 245 HE22 GLN 16 8.733 -20.826 13.001 1.00 15.44 ATOM 246 C GLN 16 10.518 -20.090 19.059 1.00 1.43 ATOM 247 O GLN 16 9.753 -19.612 19.896 1.00 32.44 ATOM 248 N THR 17 11.005 -21.334 19.159 1.00 21.31 ATOM 249 HN THR 17 11.603 -21.670 18.459 1.00 37.26 ATOM 250 CA THR 17 10.663 -22.207 20.296 1.00 22.15 ATOM 251 HA THR 17 9.583 -22.275 20.341 1.00 71.21 ATOM 252 CB THR 17 11.226 -23.645 20.125 1.00 12.12 ATOM 253 HB THR 17 12.298 -23.581 20.002 1.00 23.23 ATOM 254 OG1 THR 17 10.662 -24.271 18.961 1.00 44.13 ATOM 255 HG1 THR 17 10.716 -23.672 18.211 1.00 64.42 ATOM 256 CG2 THR 17 10.929 -24.510 21.352 1.00 73.44 ATOM 257 HG21 THR 17 11.402 -24.076 22.223 1.00 74.55 ATOM 258 HG22 THR 17 11.316 -25.506 21.194 1.00 21.14 ATOM 259 HG23 THR 17 9.861 -24.560 21.509 1.00 31.42 ATOM 260 C THR 17 11.171 -21.620 21.622 1.00 3.43 ATOM 261 O THR 17 10.464 -21.643 22.629 1.00 24.42 ATOM 262 N VAL 18 12.394 -21.080 21.618 1.00 44.30 ATOM 263 HN VAL 18 12.931 -21.115 20.796 1.00 37.26 ATOM 264 CA VAL 18 12.952 -20.429 22.812 1.00 42.03 ATOM 265 HA VAL 18 13.049 -21.181 23.586 1.00 41.35 ATOM 266 CB VAL 18 14.355 -19.825 22.534 1.00 32.24 ATOM 267 HB VAL 18 14.251 -19.075 21.760 1.00 4.21 ATOM 268 CG1 VAL 18 14.912 -19.141 23.784 1.00 52.03 ATOM 269 HG11 VAL 18 15.884 -18.723 23.566 1.00 2.44 ATOM 270 HG12 VAL 18 15.004 -19.864 24.583 1.00 34.24 ATOM 271 HG13 VAL 18 14.242 -18.350 24.093 1.00 71.10 ATOM 272 CG2 VAL 18 15.318 -20.897 22.029 1.00 41.54 ATOM 273 HG21 VAL 18 14.913 -21.354 21.138 1.00 25.03 ATOM 274 HG22 VAL 18 15.453 -21.653 22.789 1.00 62.32 ATOM 275 HG23 VAL 18 16.274 -20.446 21.798 1.00 70.42 ATOM 276 C VAL 18 12.013 -19.317 23.312 1.00 32.42 ATOM 277 O VAL 18 11.542 -19.347 24.451 1.00 15.21 ATOM 278 N THR 19 11.731 -18.348 22.439 1.00 54.42 ATOM 279 HN THR 19 12.153 -18.370 21.551 1.00 37.26 ATOM 280 CA THR 19 10.816 -17.243 22.766 1.00 10.21 ATOM 281 HA THR 19 11.250 -16.686 23.586 1.00 72.24 ATOM 282 CB THR 19 10.639 -16.279 21.560 1.00 54.22 ATOM 283 HB THR 19 10.166 -16.819 20.750 1.00 3.34 ATOM 284 OG1 THR 19 11.922 -15.806 21.113 1.00 44.32 ATOM 285 HG1 THR 19 11.835 -14.904 20.783 1.00 53.21 ATOM 286 CG2 THR 19 9.762 -15.084 21.926 1.00 23.01 ATOM 287 HG21 THR 19 10.234 -14.518 22.718 1.00 73.24 ATOM 288 HG22 THR 19 8.796 -15.433 22.262 1.00 73.24 ATOM 289 HG23 THR 19 9.633 -14.451 21.060 1.00 72.31 ATOM 290 C THR 19 9.435 -17.767 23.196 1.00 12.45 ATOM 291 O THR 19 8.809 -17.226 24.108 1.00 63.23 ATOM 292 N TRP 20 8.976 -18.829 22.536 1.00 21.35 ATOM 293 HN TRP 20 9.516 -19.205 21.809 1.00 37.26 ATOM 294 CA TRP 20 7.688 -19.456 22.852 1.00 72.21 ATOM 295 HA TRP 20 6.920 -18.702 22.746 1.00 33.21 ATOM 296 CB TRP 20 7.414 -20.588 21.851 1.00 14.21 ATOM 297 HB1 TRP 20 8.207 -21.320 21.926 1.00 37.26 ATOM 298 HB2 TRP 20 7.415 -20.179 20.850 1.00 2.22 ATOM 299 CG TRP 20 6.105 -21.297 22.055 1.00 12.22 ATOM 300 CD1 TRP 20 4.862 -20.734 22.103 1.00 75.21 ATOM 301 HD1 TRP 20 4.671 -19.677 22.009 1.00 4.22 ATOM 302 CD2 TRP 20 5.914 -22.708 22.211 1.00 62.53 ATOM 303 NE1 TRP 20 3.913 -21.709 22.293 1.00 70.04 ATOM 304 HE1 TRP 20 2.950 -21.557 22.369 1.00 63.02 ATOM 305 CE2 TRP 20 4.532 -22.927 22.364 1.00 1.41 ATOM 306 CE3 TRP 20 6.781 -23.808 22.240 1.00 22.12 ATOM 307 HE3 TRP 20 7.851 -23.683 22.127 1.00 3.21 ATOM 308 CZ2 TRP 20 3.997 -24.199 22.542 1.00 3.14 ATOM 309 HZ2 TRP 20 2.937 -24.361 22.660 1.00 12.04 ATOM 310 CZ3 TRP 20 6.248 -25.071 22.419 1.00 73.24 ATOM 311 HZ3 TRP 20 6.901 -25.934 22.445 1.00 54.45 ATOM 312 CH2 TRP 20 4.866 -25.257 22.567 1.00 34.21 ATOM 313 HH2 TRP 20 4.492 -26.261 22.706 1.00 54.25 ATOM 314 C TRP 20 7.657 -19.989 24.300 1.00 72.55 ATOM 315 O TRP 20 6.692 -19.769 25.035 1.00 31.43 ATOM 316 N LEU 21 8.720 -20.675 24.709 1.00 62.32 ATOM 317 HN LEU 21 9.451 -20.844 24.077 1.00 37.26 ATOM 318 CA LEU 21 8.823 -21.190 26.080 1.00 14.24 ATOM 319 HA LEU 21 7.938 -21.778 26.278 1.00 11.41 ATOM 320 CB LEU 21 10.060 -22.090 26.218 1.00 54.13 ATOM 321 HB1 LEU 21 10.123 -22.424 27.245 1.00 37.26 ATOM 322 HB2 LEU 21 10.937 -21.495 26.000 1.00 21.44 ATOM 323 CG LEU 21 10.079 -23.331 25.309 1.00 3.02 ATOM 324 HG LEU 21 10.041 -23.010 24.277 1.00 22.20 ATOM 325 CD1 LEU 21 11.370 -24.127 25.498 1.00 22.03 ATOM 326 HD11 LEU 21 12.219 -23.491 25.293 1.00 32.42 ATOM 327 HD12 LEU 21 11.380 -24.966 24.817 1.00 24.55 ATOM 328 HD13 LEU 21 11.429 -24.489 26.516 1.00 65.35 ATOM 329 CD2 LEU 21 8.858 -24.211 25.572 1.00 31.24 ATOM 330 HD21 LEU 21 8.843 -24.510 26.612 1.00 22.04 ATOM 331 HD22 LEU 21 8.905 -25.091 24.946 1.00 72.11 ATOM 332 HD23 LEU 21 7.959 -23.657 25.344 1.00 53.31 ATOM 333 C LEU 21 8.889 -20.041 27.106 1.00 5.32 ATOM 334 O LEU 21 8.324 -20.129 28.203 1.00 73.32 ATOM 335 N ILE 22 9.577 -18.961 26.739 1.00 13.00 ATOM 336 HN ILE 22 10.016 -18.956 25.858 1.00 37.26 ATOM 337 CA ILE 22 9.713 -17.787 27.611 1.00 30.21 ATOM 338 HA ILE 22 10.049 -18.134 28.579 1.00 51.45 ATOM 339 CB ILE 22 10.779 -16.804 27.054 1.00 61.23 ATOM 340 HB ILE 22 10.476 -16.516 26.056 1.00 43.55 ATOM 341 CG1 ILE 22 12.155 -17.492 26.978 1.00 2.40 ATOM 342 HG11 ILE 22 12.072 -18.388 26.378 1.00 37.26 ATOM 343 HG12 ILE 22 12.472 -17.765 27.975 1.00 64.13 ATOM 344 CG2 ILE 22 10.856 -15.536 27.908 1.00 51.34 ATOM 345 HG21 ILE 22 11.114 -15.800 28.924 1.00 12.44 ATOM 346 HG22 ILE 22 9.899 -15.034 27.900 1.00 52.02 ATOM 347 HG23 ILE 22 11.610 -14.876 27.506 1.00 73.04 ATOM 348 CD1 ILE 22 13.242 -16.626 26.371 1.00 40.24 ATOM 349 HD11 ILE 22 13.362 -15.730 26.962 1.00 21.33 ATOM 350 HD12 ILE 22 12.967 -16.356 25.361 1.00 3.40 ATOM 351 HD13 ILE 22 14.173 -17.173 26.355 1.00 74.10 ATOM 352 C ILE 22 8.371 -17.045 27.789 1.00 71.43 ATOM 353 O ILE 22 7.975 -16.716 28.912 1.00 0.42 ATOM 354 N THR 23 7.664 -16.801 26.684 1.00 22.01 ATOM 355 HN THR 23 8.003 -17.125 25.822 1.00 37.26 ATOM 356 CA THR 23 6.393 -16.054 26.722 1.00 54.23 ATOM 357 HA THR 23 6.579 -15.127 27.252 1.00 71.34 ATOM 358 CB THR 23 5.886 -15.690 25.297 1.00 43.22 ATOM 359 HB THR 23 6.673 -15.153 24.780 1.00 60.42 ATOM 360 OG1 THR 23 4.726 -14.844 25.378 1.00 44.44 ATOM 361 HG1 THR 23 4.644 -14.489 26.273 1.00 15.13 ATOM 362 CG2 THR 23 5.540 -16.937 24.489 1.00 72.14 ATOM 363 HG21 THR 23 4.753 -17.485 24.987 1.00 51.13 ATOM 364 HG22 THR 23 6.416 -17.566 24.401 1.00 2.43 ATOM 365 HG23 THR 23 5.204 -16.650 23.503 1.00 52.04 ATOM 366 C THR 23 5.292 -16.827 27.473 1.00 40.14 ATOM 367 O THR 23 4.359 -16.229 28.012 1.00 61.32 ATOM 368 N LEU 24 5.407 -18.157 27.511 1.00 60.40 ATOM 369 HN LEU 24 6.133 -18.584 27.006 1.00 37.26 ATOM 370 CA LEU 24 4.466 -19.003 28.265 1.00 5.21 ATOM 371 HA LEU 24 3.482 -18.564 28.174 1.00 25.52 ATOM 372 CB LEU 24 4.428 -20.419 27.668 1.00 73.13 ATOM 373 HB1 LEU 24 3.866 -21.056 28.338 1.00 37.26 ATOM 374 HB2 LEU 24 5.443 -20.793 27.617 1.00 13.04 ATOM 375 CG LEU 24 3.803 -20.529 26.267 1.00 34.34 ATOM 376 HG LEU 24 4.343 -19.883 25.589 1.00 15.55 ATOM 377 CD1 LEU 24 3.912 -21.955 25.738 1.00 12.15 ATOM 378 HD11 LEU 24 3.486 -22.006 24.745 1.00 33.43 ATOM 379 HD12 LEU 24 3.377 -22.628 26.393 1.00 54.35 ATOM 380 HD13 LEU 24 4.952 -22.245 25.697 1.00 12.12 ATOM 381 CD2 LEU 24 2.345 -20.076 26.291 1.00 14.33 ATOM 382 HD21 LEU 24 1.925 -20.157 25.298 1.00 71.01 ATOM 383 HD22 LEU 24 2.291 -19.048 26.619 1.00 24.10 ATOM 384 HD23 LEU 24 1.783 -20.701 26.973 1.00 51.05 ATOM 385 C LEU 24 4.827 -19.077 29.759 1.00 44.40 ATOM 386 O LEU 24 4.079 -19.640 30.559 1.00 14.54 ATOM 387 N GLY 25 5.978 -18.515 30.124 1.00 12.11 ATOM 388 HN GLY 25 6.537 -18.084 29.445 1.00 37.26 ATOM 389 CA GLY 25 6.410 -18.516 31.520 1.00 14.40 ATOM 390 HA1 GLY 25 5.596 -18.157 32.135 1.00 37.26 ATOM 391 HA2 GLY 25 7.242 -17.837 31.620 1.00 74.21 ATOM 392 C GLY 25 6.840 -19.894 32.029 1.00 75.00 ATOM 393 O GLY 25 6.929 -20.117 33.239 1.00 2.34 ATOM 394 N VAL 26 7.118 -20.817 31.109 1.00 44.21 ATOM 395 HN VAL 26 7.035 -20.582 30.162 1.00 37.26 ATOM 396 CA VAL 26 7.538 -22.176 31.474 1.00 11.22 ATOM 397 HA VAL 26 7.199 -22.369 32.486 1.00 22.31 ATOM 398 CB VAL 26 6.888 -23.228 30.543 1.00 42.33 ATOM 399 HB VAL 26 7.177 -24.214 30.889 1.00 11.01 ATOM 400 CG1 VAL 26 5.368 -23.126 30.626 1.00 62.01 ATOM 401 HG11 VAL 26 4.921 -23.814 29.926 1.00 33.23 ATOM 402 HG12 VAL 26 5.057 -22.119 30.388 1.00 23.13 ATOM 403 HG13 VAL 26 5.045 -23.375 31.628 1.00 22.13 ATOM 404 CG2 VAL 26 7.372 -23.065 29.100 1.00 35.22 ATOM 405 HG21 VAL 26 6.919 -23.824 28.477 1.00 44.41 ATOM 406 HG22 VAL 26 8.447 -23.167 29.064 1.00 61.45 ATOM 407 HG23 VAL 26 7.093 -22.087 28.733 1.00 40.44 ATOM 408 C VAL 26 9.064 -22.321 31.440 1.00 43.52 ATOM 409 O VAL 26 9.621 -23.290 31.957 1.00 33.40 ATOM 410 N LEU 27 9.733 -21.353 30.822 1.00 62.13 ATOM 411 HN LEU 27 9.230 -20.640 30.373 1.00 37.26 ATOM 412 CA LEU 27 11.194 -21.317 30.793 1.00 25.25 ATOM 413 HA LEU 27 11.556 -22.012 31.539 1.00 50.24 ATOM 414 CB LEU 27 11.719 -21.748 29.415 1.00 31.14 ATOM 415 HB1 LEU 27 11.340 -21.055 28.677 1.00 37.26 ATOM 416 HB2 LEU 27 11.320 -22.730 29.194 1.00 71.15 ATOM 417 CG LEU 27 13.253 -21.806 29.278 1.00 3.55 ATOM 418 HG LEU 27 13.661 -20.833 29.512 1.00 3.13 ATOM 419 CD1 LEU 27 13.852 -22.811 30.262 1.00 65.31 ATOM 420 HD11 LEU 27 13.468 -23.799 30.049 1.00 73.44 ATOM 421 HD12 LEU 27 13.584 -22.532 31.270 1.00 20.12 ATOM 422 HD13 LEU 27 14.929 -22.815 30.165 1.00 12.44 ATOM 423 CD2 LEU 27 13.654 -22.149 27.843 1.00 54.44 ATOM 424 HD21 LEU 27 14.731 -22.163 27.762 1.00 4.14 ATOM 425 HD22 LEU 27 13.255 -21.405 27.167 1.00 72.33 ATOM 426 HD23 LEU 27 13.261 -23.120 27.579 1.00 10.04 ATOM 427 C LEU 27 11.704 -19.913 31.140 1.00 53.11 ATOM 428 O LEU 27 11.181 -18.907 30.651 1.00 52.41 ATOM 429 N GLU 28 12.715 -19.851 32.002 1.00 2.21 ATOM 430 HN GLU 28 13.065 -20.681 32.380 1.00 37.26 ATOM 431 CA GLU 28 13.317 -18.576 32.399 1.00 51.11 ATOM 432 HA GLU 28 12.511 -17.889 32.617 1.00 64.22 ATOM 433 CB GLU 28 14.160 -18.763 33.667 1.00 3.43 ATOM 434 HB1 GLU 28 13.512 -19.088 34.470 1.00 37.26 ATOM 435 HB2 GLU 28 14.598 -17.811 33.937 1.00 13.42 ATOM 436 CG GLU 28 15.284 -19.780 33.520 1.00 43.41 ATOM 437 HG1 GLU 28 15.997 -19.404 32.798 1.00 37.26 ATOM 438 HG2 GLU 28 14.867 -20.712 33.160 1.00 24.15 ATOM 439 CD GLU 28 16.005 -20.041 34.832 1.00 12.53 ATOM 440 OE1 GLU 28 15.628 -20.996 35.546 1.00 5.00 ATOM 441 OE2 GLU 28 16.943 -19.285 35.162 1.00 10.31 ATOM 442 C GLU 28 14.165 -17.983 31.260 1.00 2.43 ATOM 443 O GLU 28 14.749 -18.712 30.454 1.00 14.20 ATOM 444 N SER 29 14.235 -16.658 31.208 1.00 40.34 ATOM 445 HN SER 29 13.849 -16.135 31.943 1.00 37.26 ATOM 446 CA SER 29 14.885 -15.957 30.090 1.00 72.22 ATOM 447 HA SER 29 14.717 -16.541 29.196 1.00 73.50 ATOM 448 CB SER 29 14.257 -14.568 29.892 1.00 61.43 ATOM 449 HB1 SER 29 14.398 -13.979 30.786 1.00 37.26 ATOM 450 HB2 SER 29 13.200 -14.677 29.698 1.00 35.21 ATOM 451 OG SER 29 14.848 -13.882 28.797 1.00 35.31 ATOM 452 HG SER 29 15.733 -13.585 29.039 1.00 52.14 ATOM 453 C SER 29 16.401 -15.804 30.299 1.00 15.44 ATOM 454 O SER 29 16.873 -15.652 31.429 1.00 45.41 ATOM 455 N PRO 30 17.188 -15.861 29.203 1.00 63.35 ATOM 456 CA PRO 30 18.635 -15.591 29.238 1.00 45.14 ATOM 457 HA PRO 30 19.103 -16.022 30.112 1.00 74.44 ATOM 458 CB PRO 30 19.128 -16.305 27.976 1.00 22.53 ATOM 459 HB1 PRO 30 19.318 -17.346 28.192 1.00 37.26 ATOM 460 HB2 PRO 30 20.034 -15.834 27.614 1.00 72.04 ATOM 461 CG PRO 30 17.999 -16.144 27.013 1.00 73.42 ATOM 462 HG1 PRO 30 18.018 -16.940 26.282 1.00 37.26 ATOM 463 HG2 PRO 30 18.070 -15.184 26.523 1.00 33.50 ATOM 464 CD PRO 30 16.735 -16.219 27.838 1.00 34.42 ATOM 465 HD1 PRO 30 16.327 -17.220 27.818 1.00 37.26 ATOM 466 HD2 PRO 30 16.005 -15.508 27.476 1.00 43.13 ATOM 467 C PRO 30 18.957 -14.085 29.166 1.00 53.15 ATOM 468 O PRO 30 18.094 -13.267 28.826 1.00 72.22 ATOM 469 N LYS 31 20.198 -13.720 29.487 1.00 5.55 ATOM 470 HN LYS 31 20.832 -14.403 29.793 1.00 37.26 ATOM 471 CA LYS 31 20.637 -12.321 29.411 1.00 61.53 ATOM 472 HA LYS 31 19.788 -11.696 29.657 1.00 10.02 ATOM 473 CB LYS 31 21.755 -12.064 30.440 1.00 60.42 ATOM 474 HB1 LYS 31 22.631 -12.625 30.145 1.00 37.26 ATOM 475 HB2 LYS 31 21.425 -12.425 31.404 1.00 62.32 ATOM 476 CG LYS 31 22.157 -10.592 30.598 1.00 24.20 ATOM 477 HG1 LYS 31 22.511 -10.439 31.608 1.00 37.26 ATOM 478 HG2 LYS 31 21.287 -9.974 30.430 1.00 43.22 ATOM 479 CD LYS 31 23.258 -10.165 29.623 1.00 74.10 ATOM 480 HD1 LYS 31 23.399 -9.096 29.703 1.00 37.26 ATOM 481 HD2 LYS 31 22.952 -10.413 28.615 1.00 61.34 ATOM 482 CE LYS 31 24.582 -10.865 29.923 1.00 43.12 ATOM 483 HE1 LYS 31 25.331 -10.503 29.234 1.00 37.26 ATOM 484 HE2 LYS 31 24.453 -11.929 29.785 1.00 41.25 ATOM 485 NZ LYS 31 25.045 -10.612 31.317 1.00 31.13 ATOM 486 HZ1 LYS 31 25.081 -9.589 31.507 1.00 5.43 ATOM 487 HZ2 LYS 31 25.995 -11.007 31.453 1.00 4.14 ATOM 488 HZ3 LYS 31 24.399 -11.059 32.002 1.00 11.41 ATOM 489 C LYS 31 21.105 -11.966 27.989 1.00 72.32 ATOM 490 O LYS 31 20.881 -10.855 27.507 1.00 20.33 ATOM 491 N LYS 32 21.763 -12.913 27.322 1.00 43.44 ATOM 492 HN LYS 32 21.943 -13.767 27.765 1.00 37.26 ATOM 493 CA LYS 32 22.228 -12.711 25.941 1.00 11.25 ATOM 494 HA LYS 32 22.250 -11.647 25.750 1.00 13.14 ATOM 495 CB LYS 32 23.642 -13.273 25.753 1.00 15.53 ATOM 496 HB1 LYS 32 23.867 -13.296 24.694 1.00 37.26 ATOM 497 HB2 LYS 32 23.666 -14.285 26.133 1.00 20.21 ATOM 498 CG LYS 32 24.737 -12.478 26.452 1.00 11.40 ATOM 499 HG1 LYS 32 24.570 -12.510 27.520 1.00 37.26 ATOM 500 HG2 LYS 32 24.698 -11.453 26.110 1.00 21.15 ATOM 501 CD LYS 32 26.119 -13.050 26.145 1.00 70.44 ATOM 502 HD1 LYS 32 26.177 -14.054 26.544 1.00 37.26 ATOM 503 HD2 LYS 32 26.867 -12.431 26.622 1.00 63.52 ATOM 504 CE LYS 32 26.397 -13.095 24.643 1.00 54.31 ATOM 505 HE1 LYS 32 25.635 -13.695 24.165 1.00 37.26 ATOM 506 HE2 LYS 32 27.364 -13.550 24.481 1.00 3.13 ATOM 507 NZ LYS 32 26.395 -11.737 24.030 1.00 35.32 ATOM 508 HZ1 LYS 32 25.528 -11.226 24.287 1.00 63.31 ATOM 509 HZ2 LYS 32 26.442 -11.808 22.994 1.00 13.24 ATOM 510 HZ3 LYS 32 27.218 -11.191 24.366 1.00 51.34 ATOM 511 C LYS 32 21.302 -13.373 24.911 1.00 40.23 ATOM 512 O LYS 32 20.481 -14.227 25.246 1.00 45.41 ATOM 513 N THR 33 21.462 -12.972 23.650 1.00 1.22 ATOM 514 HN THR 33 22.053 -12.213 23.466 1.00 37.26 ATOM 515 CA THR 33 20.775 -13.625 22.529 1.00 53.41 ATOM 516 HA THR 33 19.721 -13.687 22.768 1.00 61.22 ATOM 517 CB THR 33 20.938 -12.812 21.219 1.00 13.44 ATOM 518 HB THR 33 21.989 -12.782 20.958 1.00 31.25 ATOM 519 OG1 THR 33 20.471 -11.468 21.417 1.00 14.44 ATOM 520 HG1 THR 33 20.720 -10.925 20.659 1.00 41.02 ATOM 521 CG2 THR 33 20.166 -13.453 20.067 1.00 71.32 ATOM 522 HG21 THR 33 19.118 -13.513 20.323 1.00 22.40 ATOM 523 HG22 THR 33 20.548 -14.449 19.885 1.00 53.14 ATOM 524 HG23 THR 33 20.283 -12.856 19.175 1.00 61.23 ATOM 525 C THR 33 21.329 -15.040 22.313 1.00 60.24 ATOM 526 O THR 33 22.544 -15.236 22.276 1.00 70.43 ATOM 527 N ILE 34 20.443 -16.020 22.173 1.00 63.22 ATOM 528 HN ILE 34 19.490 -15.803 22.174 1.00 37.26 ATOM 529 CA ILE 34 20.860 -17.419 22.022 1.00 41.51 ATOM 530 HA ILE 34 21.475 -17.670 22.878 1.00 52.20 ATOM 531 CB ILE 34 19.637 -18.375 22.016 1.00 73.21 ATOM 532 HB ILE 34 19.048 -18.163 21.132 1.00 63.42 ATOM 533 CG1 ILE 34 18.761 -18.152 23.267 1.00 54.41 ATOM 534 HG11 ILE 34 17.903 -18.809 23.221 1.00 37.26 ATOM 535 HG12 ILE 34 18.418 -17.127 23.280 1.00 40.20 ATOM 536 CG2 ILE 34 20.098 -19.829 21.937 1.00 60.14 ATOM 537 HG21 ILE 34 20.728 -20.057 22.785 1.00 30.24 ATOM 538 HG22 ILE 34 20.656 -19.984 21.025 1.00 54.54 ATOM 539 HG23 ILE 34 19.237 -20.484 21.943 1.00 3.13 ATOM 540 CD1 ILE 34 19.478 -18.415 24.579 1.00 64.22 ATOM 541 HD11 ILE 34 20.290 -17.712 24.696 1.00 21.24 ATOM 542 HD12 ILE 34 19.870 -19.422 24.581 1.00 23.11 ATOM 543 HD13 ILE 34 18.783 -18.300 25.398 1.00 23.22 ATOM 544 C ILE 34 21.690 -17.640 20.739 1.00 72.22 ATOM 545 O ILE 34 21.193 -17.463 19.623 1.00 65.52 ATOM 546 N SER 35 22.956 -18.028 20.909 1.00 34.24 ATOM 547 HN SER 35 23.297 -18.153 21.820 1.00 37.26 ATOM 548 CA SER 35 23.853 -18.274 19.769 1.00 50.41 ATOM 549 HA SER 35 23.823 -17.400 19.132 1.00 62.40 ATOM 550 CB SER 35 25.299 -18.486 20.241 1.00 74.31 ATOM 551 HB1 SER 35 25.338 -19.336 20.909 1.00 37.26 ATOM 552 HB2 SER 35 25.636 -17.604 20.764 1.00 45.12 ATOM 553 OG SER 35 26.175 -18.727 19.143 1.00 22.32 ATOM 554 HG SER 35 26.441 -19.657 19.143 1.00 74.42 ATOM 555 C SER 35 23.392 -19.485 18.956 1.00 1.53 ATOM 556 O SER 35 23.275 -19.415 17.730 1.00 53.12 ATOM 557 N ASP 36 23.134 -20.598 19.638 1.00 75.12 ATOM 558 HN ASP 36 23.306 -20.618 20.605 1.00 37.26 ATOM 559 CA ASP 36 22.601 -21.794 18.983 1.00 41.33 ATOM 560 HA ASP 36 22.263 -21.508 17.996 1.00 61.22 ATOM 561 CB ASP 36 23.689 -22.864 18.840 1.00 65.52 ATOM 562 HB1 ASP 36 23.861 -23.332 19.800 1.00 37.26 ATOM 563 HB2 ASP 36 24.604 -22.397 18.505 1.00 72.22 ATOM 564 CG ASP 36 23.296 -23.938 17.841 1.00 14.44 ATOM 565 OD1 ASP 36 22.643 -24.925 18.239 1.00 70.04 ATOM 566 OD2 ASP 36 23.627 -23.789 16.647 1.00 13.02 ATOM 567 C ASP 36 21.402 -22.352 19.770 1.00 4.33 ATOM 568 O ASP 36 21.570 -23.037 20.783 1.00 43.02 ATOM 569 N PRO 37 20.169 -22.055 19.319 1.00 2.12 ATOM 570 CA PRO 37 18.944 -22.476 20.022 1.00 70.22 ATOM 571 HA PRO 37 18.928 -22.097 21.035 1.00 10.31 ATOM 572 CB PRO 37 17.820 -21.811 19.210 1.00 74.32 ATOM 573 HB1 PRO 37 17.538 -20.878 19.677 1.00 37.26 ATOM 574 HB2 PRO 37 16.961 -22.467 19.163 1.00 44.41 ATOM 575 CG PRO 37 18.410 -21.584 17.859 1.00 44.13 ATOM 576 HG1 PRO 37 17.927 -20.743 17.382 1.00 37.26 ATOM 577 HG2 PRO 37 18.298 -22.474 17.254 1.00 24.11 ATOM 578 CD PRO 37 19.866 -21.290 18.093 1.00 63.03 ATOM 579 HD1 PRO 37 20.019 -20.232 18.251 1.00 37.26 ATOM 580 HD2 PRO 37 20.461 -21.640 17.261 1.00 5.34 ATOM 581 C PRO 37 18.767 -24.000 20.060 1.00 63.10 ATOM 582 O PRO 37 18.158 -24.540 20.986 1.00 21.23 ATOM 583 N GLU 38 19.321 -24.689 19.064 1.00 33.15 ATOM 584 HN GLU 38 19.832 -24.209 18.380 1.00 37.26 ATOM 585 CA GLU 38 19.196 -26.146 18.973 1.00 3.13 ATOM 586 HA GLU 38 18.151 -26.391 19.111 1.00 51.42 ATOM 587 CB GLU 38 19.633 -26.624 17.581 1.00 10.53 ATOM 588 HB1 GLU 38 19.502 -27.695 17.520 1.00 37.26 ATOM 589 HB2 GLU 38 20.678 -26.388 17.442 1.00 21.02 ATOM 590 CG GLU 38 18.839 -25.979 16.448 1.00 10.31 ATOM 591 HG1 GLU 38 19.029 -24.915 16.456 1.00 37.26 ATOM 592 HG2 GLU 38 17.785 -26.150 16.624 1.00 1.41 ATOM 593 CD GLU 38 19.200 -26.527 15.077 1.00 73.34 ATOM 594 OE1 GLU 38 18.415 -27.323 14.523 1.00 60.41 ATOM 595 OE2 GLU 38 20.270 -26.161 14.546 1.00 42.51 ATOM 596 C GLU 38 20.011 -26.848 20.072 1.00 64.30 ATOM 597 O GLU 38 19.557 -27.825 20.673 1.00 24.35 ATOM 598 N GLY 39 21.214 -26.346 20.335 1.00 54.03 ATOM 599 HN GLY 39 21.563 -25.621 19.771 1.00 37.26 ATOM 600 CA GLY 39 22.024 -26.867 21.432 1.00 72.40 ATOM 601 HA1 GLY 39 23.046 -26.544 21.293 1.00 37.26 ATOM 602 HA2 GLY 39 21.994 -27.948 21.408 1.00 41.15 ATOM 603 C GLY 39 21.537 -26.384 22.798 1.00 34.41 ATOM 604 O GLY 39 21.483 -27.158 23.762 1.00 33.42 ATOM 605 N PHE 40 21.170 -25.100 22.870 1.00 73.34 ATOM 606 HN PHE 40 21.262 -24.539 22.068 1.00 37.26 ATOM 607 CA PHE 40 20.652 -24.493 24.104 1.00 32.15 ATOM 608 HA PHE 40 21.440 -24.535 24.842 1.00 62.54 ATOM 609 CB PHE 40 20.287 -23.020 23.856 1.00 65.22 ATOM 610 HB1 PHE 40 19.595 -22.963 23.025 1.00 37.26 ATOM 611 HB2 PHE 40 21.184 -22.473 23.603 1.00 31.11 ATOM 612 CG PHE 40 19.649 -22.337 25.045 1.00 61.43 ATOM 613 CD1 PHE 40 20.415 -21.949 26.137 1.00 40.01 ATOM 614 HD1 PHE 40 21.480 -22.133 26.131 1.00 11.41 ATOM 615 CD2 PHE 40 18.281 -22.087 25.072 1.00 23.41 ATOM 616 HD2 PHE 40 17.671 -22.381 24.230 1.00 73.24 ATOM 617 CE1 PHE 40 19.831 -21.329 27.226 1.00 24.21 ATOM 618 HE1 PHE 40 20.439 -21.033 28.069 1.00 65.20 ATOM 619 CE2 PHE 40 17.696 -21.467 26.160 1.00 54.44 ATOM 620 HE2 PHE 40 16.632 -21.279 26.167 1.00 31.42 ATOM 621 CZ PHE 40 18.471 -21.089 27.238 1.00 1.34 ATOM 622 HZ PHE 40 18.015 -20.607 28.089 1.00 41.45 ATOM 623 C PHE 40 19.432 -25.253 24.649 1.00 40.13 ATOM 624 O PHE 40 19.439 -25.712 25.791 1.00 52.01 ATOM 625 N LEU 41 18.388 -25.384 23.828 1.00 14.12 ATOM 626 HN LEU 41 18.438 -24.999 22.925 1.00 37.26 ATOM 627 CA LEU 41 17.168 -26.090 24.239 1.00 21.43 ATOM 628 HA LEU 41 16.751 -25.556 25.083 1.00 31.40 ATOM 629 CB LEU 41 16.139 -26.091 23.101 1.00 24.22 ATOM 630 HB1 LEU 41 15.308 -26.718 23.392 1.00 37.26 ATOM 631 HB2 LEU 41 16.604 -26.527 22.226 1.00 43.53 ATOM 632 CG LEU 41 15.584 -24.708 22.714 1.00 10.41 ATOM 633 HG LEU 41 16.407 -24.066 22.431 1.00 44.40 ATOM 634 CD1 LEU 41 14.650 -24.818 21.511 1.00 62.12 ATOM 635 HD11 LEU 41 14.252 -23.842 21.272 1.00 23.11 ATOM 636 HD12 LEU 41 13.835 -25.492 21.742 1.00 1.53 ATOM 637 HD13 LEU 41 15.200 -25.197 20.662 1.00 33.22 ATOM 638 CD2 LEU 41 14.869 -24.060 23.901 1.00 3.33 ATOM 639 HD21 LEU 41 15.573 -23.912 24.707 1.00 61.24 ATOM 640 HD22 LEU 41 14.067 -24.702 24.238 1.00 65.33 ATOM 641 HD23 LEU 41 14.463 -23.105 23.600 1.00 3.43 ATOM 642 C LEU 41 17.472 -27.530 24.677 1.00 31.34 ATOM 643 O LEU 41 16.965 -27.996 25.693 1.00 11.41 ATOM 644 N GLN 42 18.320 -28.219 23.914 1.00 21.33 ATOM 645 HN GLN 42 18.684 -27.793 23.109 1.00 37.26 ATOM 646 CA GLN 42 18.724 -29.595 24.238 1.00 31.21 ATOM 647 HA GLN 42 17.853 -30.228 24.133 1.00 32.25 ATOM 648 CB GLN 42 19.803 -30.055 23.236 1.00 13.13 ATOM 649 HB1 GLN 42 20.702 -29.478 23.411 1.00 37.26 ATOM 650 HB2 GLN 42 19.449 -29.839 22.238 1.00 40.32 ATOM 651 CG GLN 42 20.171 -31.544 23.288 1.00 12.41 ATOM 652 HG1 GLN 42 20.595 -31.826 22.334 1.00 37.26 ATOM 653 HG2 GLN 42 19.270 -32.116 23.454 1.00 44.25 ATOM 654 CD GLN 42 21.174 -31.898 24.382 1.00 11.24 ATOM 655 OE1 GLN 42 22.382 -31.804 24.184 1.00 30.15 ATOM 656 NE2 GLN 42 20.693 -32.346 25.523 1.00 53.44 ATOM 657 HE21 GLN 42 19.720 -32.435 25.617 1.00 41.03 ATOM 658 HE22 GLN 42 21.327 -32.572 26.230 1.00 72.02 ATOM 659 C GLN 42 19.238 -29.695 25.686 1.00 45.52 ATOM 660 O GLN 42 18.876 -30.612 26.425 1.00 0.03 ATOM 661 N ALA 43 20.070 -28.734 26.087 1.00 41.45 ATOM 662 HN ALA 43 20.318 -28.023 25.455 1.00 37.26 ATOM 663 CA ALA 43 20.637 -28.716 27.442 1.00 22.21 ATOM 664 HA ALA 43 20.871 -29.735 27.718 1.00 72.42 ATOM 665 CB ALA 43 21.939 -27.922 27.450 1.00 21.10 ATOM 666 HB1 ALA 43 22.606 -28.317 26.697 1.00 2.11 ATOM 667 HB2 ALA 43 22.405 -28.004 28.421 1.00 23.51 ATOM 668 HB3 ALA 43 21.731 -26.883 27.237 1.00 71.53 ATOM 669 C ALA 43 19.659 -28.138 28.483 1.00 1.53 ATOM 670 O ALA 43 19.622 -28.590 29.629 1.00 0.44 ATOM 671 N SER 44 18.866 -27.143 28.081 1.00 43.41 ATOM 672 HN SER 44 18.893 -26.869 27.142 1.00 37.26 ATOM 673 CA SER 44 17.955 -26.445 29.008 1.00 3.44 ATOM 674 HA SER 44 18.456 -26.371 29.963 1.00 31.25 ATOM 675 CB SER 44 17.655 -25.025 28.505 1.00 44.42 ATOM 676 HB1 SER 44 17.093 -25.081 27.583 1.00 37.26 ATOM 677 HB2 SER 44 18.584 -24.504 28.325 1.00 1.20 ATOM 678 OG SER 44 16.899 -24.287 29.457 1.00 34.15 ATOM 679 HG SER 44 16.227 -24.862 29.849 1.00 42.21 ATOM 680 C SER 44 16.635 -27.205 29.213 1.00 64.12 ATOM 681 O SER 44 15.858 -26.875 30.107 1.00 42.01 ATOM 682 N LEU 45 16.370 -28.197 28.364 1.00 31.15 ATOM 683 HN LEU 45 16.980 -28.357 27.615 1.00 37.26 ATOM 684 CA LEU 45 15.171 -29.043 28.500 1.00 65.22 ATOM 685 HA LEU 45 14.502 -28.574 29.208 1.00 1.33 ATOM 686 CB LEU 45 14.458 -29.165 27.142 1.00 15.12 ATOM 687 HB1 LEU 45 13.600 -29.813 27.267 1.00 37.26 ATOM 688 HB2 LEU 45 15.140 -29.635 26.445 1.00 73.41 ATOM 689 CG LEU 45 13.975 -27.841 26.521 1.00 15.40 ATOM 690 HG LEU 45 14.823 -27.182 26.398 1.00 54.03 ATOM 691 CD1 LEU 45 13.370 -28.077 25.137 1.00 73.15 ATOM 692 HD11 LEU 45 13.029 -27.136 24.729 1.00 61.21 ATOM 693 HD12 LEU 45 12.535 -28.759 25.216 1.00 12.33 ATOM 694 HD13 LEU 45 14.120 -28.500 24.483 1.00 33.45 ATOM 695 CD2 LEU 45 12.973 -27.147 27.438 1.00 13.41 ATOM 696 HD21 LEU 45 12.628 -26.238 26.970 1.00 63.24 ATOM 697 HD22 LEU 45 13.449 -26.908 28.377 1.00 35.43 ATOM 698 HD23 LEU 45 12.131 -27.802 27.617 1.00 62.33 ATOM 699 C LEU 45 15.530 -30.447 29.013 1.00 42.04 ATOM 700 O LEU 45 14.654 -31.296 29.188 1.00 35.14 ATOM 701 N LYS 46 16.819 -30.677 29.267 1.00 53.45 ATOM 702 HN LYS 46 17.450 -29.928 29.217 1.00 37.26 ATOM 703 CA LYS 46 17.326 -32.011 29.621 1.00 11.30 ATOM 704 HA LYS 46 17.068 -32.683 28.814 1.00 41.45 ATOM 705 CB LYS 46 18.855 -31.972 29.759 1.00 24.21 ATOM 706 HB1 LYS 46 19.110 -31.521 30.707 1.00 37.26 ATOM 707 HB2 LYS 46 19.262 -31.363 28.962 1.00 21.05 ATOM 708 CG LYS 46 19.506 -33.351 29.691 1.00 44.21 ATOM 709 HG1 LYS 46 19.423 -33.724 28.679 1.00 37.26 ATOM 710 HG2 LYS 46 18.978 -34.016 30.358 1.00 20.24 ATOM 711 CD LYS 46 20.980 -33.329 30.090 1.00 61.32 ATOM 712 HD1 LYS 46 21.482 -32.547 29.538 1.00 37.26 ATOM 713 HD2 LYS 46 21.422 -34.283 29.843 1.00 24.12 ATOM 714 CE LYS 46 21.159 -33.076 31.583 1.00 34.14 ATOM 715 HE1 LYS 46 20.584 -33.809 32.131 1.00 37.26 ATOM 716 HE2 LYS 46 20.792 -32.088 31.818 1.00 21.44 ATOM 717 NZ LYS 46 22.583 -33.172 31.999 1.00 3.43 ATOM 718 HZ1 LYS 46 23.167 -32.514 31.444 1.00 35.51 ATOM 719 HZ2 LYS 46 22.935 -34.137 31.850 1.00 25.03 ATOM 720 HZ3 LYS 46 22.680 -32.934 33.008 1.00 42.21 ATOM 721 C LYS 46 16.704 -32.547 30.925 1.00 62.34 ATOM 722 O LYS 46 16.572 -33.757 31.112 1.00 13.22 ATOM 723 N ASP 47 16.333 -31.641 31.824 1.00 50.51 ATOM 724 HN ASP 47 16.467 -30.689 31.623 1.00 37.26 ATOM 725 CA ASP 47 15.730 -32.019 33.107 1.00 73.41 ATOM 726 HA ASP 47 16.356 -32.779 33.552 1.00 23.04 ATOM 727 CB ASP 47 15.694 -30.804 34.035 1.00 33.23 ATOM 728 HB1 ASP 47 16.708 -30.515 34.279 1.00 37.26 ATOM 729 HB2 ASP 47 15.171 -31.067 34.945 1.00 64.30 ATOM 730 CG ASP 47 14.991 -29.619 33.394 1.00 64.10 ATOM 731 OD1 ASP 47 15.649 -28.878 32.640 1.00 14.12 ATOM 732 OD2 ASP 47 13.780 -29.430 33.638 1.00 41.41 ATOM 733 C ASP 47 14.311 -32.589 32.933 1.00 23.25 ATOM 734 O ASP 47 13.809 -33.306 33.802 1.00 22.13 ATOM 735 N GLY 48 13.663 -32.248 31.818 1.00 12.31 ATOM 736 HN GLY 48 14.114 -31.674 31.164 1.00 37.26 ATOM 737 CA GLY 48 12.307 -32.721 31.547 1.00 61.14 ATOM 738 HA1 GLY 48 12.236 -33.762 31.832 1.00 37.26 ATOM 739 HA2 GLY 48 12.124 -32.644 30.486 1.00 71.33 ATOM 740 C GLY 48 11.222 -31.934 32.286 1.00 14.34 ATOM 741 O GLY 48 10.074 -31.874 31.836 1.00 44.32 ATOM 742 N VAL 49 11.582 -31.321 33.416 1.00 62.34 ATOM 743 HN VAL 49 12.516 -31.372 33.707 1.00 37.26 ATOM 744 CA VAL 49 10.626 -30.560 34.229 1.00 22.35 ATOM 745 HA VAL 49 9.800 -31.218 34.471 1.00 43.22 ATOM 746 CB VAL 49 11.261 -30.071 35.556 1.00 53.10 ATOM 747 HB VAL 49 12.026 -29.343 35.316 1.00 20.21 ATOM 748 CG1 VAL 49 10.219 -29.387 36.440 1.00 30.24 ATOM 749 HG11 VAL 49 9.426 -30.085 36.672 1.00 61.23 ATOM 750 HG12 VAL 49 9.805 -28.536 35.918 1.00 1.31 ATOM 751 HG13 VAL 49 10.683 -29.052 37.358 1.00 30.24 ATOM 752 CG2 VAL 49 11.927 -31.231 36.295 1.00 43.15 ATOM 753 HG21 VAL 49 12.683 -31.677 35.664 1.00 52.24 ATOM 754 HG22 VAL 49 11.184 -31.974 36.545 1.00 52.34 ATOM 755 HG23 VAL 49 12.389 -30.866 37.203 1.00 21.33 ATOM 756 C VAL 49 10.083 -29.354 33.449 1.00 4.30 ATOM 757 O VAL 49 8.893 -29.042 33.517 1.00 45.34 ATOM 758 N VAL 50 10.960 -28.681 32.700 1.00 43.22 ATOM 759 HN VAL 50 11.915 -28.926 32.747 1.00 37.26 ATOM 760 CA VAL 50 10.541 -27.577 31.826 1.00 2.11 ATOM 761 HA VAL 50 10.122 -26.802 32.455 1.00 72.40 ATOM 762 CB VAL 50 11.733 -26.974 31.041 1.00 1.51 ATOM 763 HB VAL 50 12.112 -27.730 30.366 1.00 72.41 ATOM 764 CG1 VAL 50 11.280 -25.775 30.205 1.00 22.31 ATOM 765 HG11 VAL 50 12.128 -25.359 29.680 1.00 25.53 ATOM 766 HG12 VAL 50 10.855 -25.022 30.852 1.00 13.52 ATOM 767 HG13 VAL 50 10.536 -26.094 29.489 1.00 12.44 ATOM 768 CG2 VAL 50 12.863 -26.573 31.987 1.00 53.35 ATOM 769 HG21 VAL 50 12.505 -25.828 32.683 1.00 11.22 ATOM 770 HG22 VAL 50 13.686 -26.166 31.416 1.00 41.24 ATOM 771 HG23 VAL 50 13.201 -27.441 32.534 1.00 74.01 ATOM 772 C VAL 50 9.465 -28.043 30.830 1.00 31.21 ATOM 773 O VAL 50 8.507 -27.321 30.549 1.00 52.41 ATOM 774 N LEU 51 9.624 -29.263 30.314 1.00 12.00 ATOM 775 HN LEU 51 10.425 -29.777 30.550 1.00 37.26 ATOM 776 CA LEU 51 8.632 -29.860 29.413 1.00 3.01 ATOM 777 HA LEU 51 8.484 -29.182 28.584 1.00 52.22 ATOM 778 CB LEU 51 9.134 -31.205 28.875 1.00 72.32 ATOM 779 HB1 LEU 51 8.350 -31.643 28.273 1.00 37.26 ATOM 780 HB2 LEU 51 9.318 -31.856 29.719 1.00 61.13 ATOM 781 CG LEU 51 10.413 -31.151 28.027 1.00 1.24 ATOM 782 HG LEU 51 11.221 -30.766 28.632 1.00 70.32 ATOM 783 CD1 LEU 51 10.804 -32.552 27.568 1.00 33.33 ATOM 784 HD11 LEU 51 11.700 -32.498 26.968 1.00 3.33 ATOM 785 HD12 LEU 51 10.004 -32.979 26.980 1.00 25.04 ATOM 786 HD13 LEU 51 10.988 -33.176 28.431 1.00 2.41 ATOM 787 CD2 LEU 51 10.234 -30.215 26.832 1.00 24.21 ATOM 788 HD21 LEU 51 10.022 -29.216 27.184 1.00 75.44 ATOM 789 HD22 LEU 51 9.413 -30.561 26.219 1.00 42.34 ATOM 790 HD23 LEU 51 11.140 -30.203 26.244 1.00 34.11 ATOM 791 C LEU 51 7.293 -30.065 30.133 1.00 15.55 ATOM 792 O LEU 51 6.228 -29.776 29.586 1.00 50.51 ATOM 793 N CYS 52 7.356 -30.570 31.366 1.00 74.52 ATOM 794 HN CYS 52 8.230 -30.827 31.731 1.00 37.26 ATOM 795 CA CYS 52 6.153 -30.758 32.186 1.00 24.21 ATOM 796 HA CYS 52 5.484 -31.408 31.639 1.00 4.15 ATOM 797 CB CYS 52 6.509 -31.423 33.519 1.00 73.24 ATOM 798 HB1 CYS 52 5.613 -31.524 34.117 1.00 37.26 ATOM 799 HB2 CYS 52 7.218 -30.801 34.047 1.00 2.50 ATOM 800 SG CYS 52 7.244 -33.067 33.346 1.00 22.45 ATOM 801 HG CYS 52 7.974 -33.085 32.237 1.00 42.40 ATOM 802 C CYS 52 5.443 -29.421 32.436 1.00 1.14 ATOM 803 O CYS 52 4.223 -29.330 32.330 1.00 33.12 ATOM 804 N ARG 53 6.219 -28.384 32.762 1.00 43.42 ATOM 805 HN ARG 53 7.175 -28.538 32.912 1.00 37.26 ATOM 806 CA ARG 53 5.680 -27.023 32.910 1.00 41.35 ATOM 807 HA ARG 53 4.963 -27.031 33.720 1.00 64.45 ATOM 808 CB ARG 53 6.807 -26.034 33.246 1.00 34.21 ATOM 809 HB1 ARG 53 6.390 -25.038 33.298 1.00 37.26 ATOM 810 HB2 ARG 53 7.540 -26.062 32.451 1.00 71.40 ATOM 811 CG ARG 53 7.525 -26.317 34.563 1.00 1.34 ATOM 812 HG1 ARG 53 7.902 -27.331 34.546 1.00 37.26 ATOM 813 HG2 ARG 53 6.822 -26.207 35.376 1.00 31.41 ATOM 814 CD ARG 53 8.691 -25.357 34.782 1.00 11.12 ATOM 815 HD1 ARG 53 8.309 -24.344 34.781 1.00 37.26 ATOM 816 HD2 ARG 53 9.394 -25.474 33.969 1.00 42.04 ATOM 817 NE ARG 53 9.382 -25.602 36.051 1.00 13.25 ATOM 818 HE ARG 53 8.837 -25.624 36.865 1.00 31.32 ATOM 819 CZ ARG 53 10.674 -25.771 36.169 1.00 64.32 ATOM 820 NH1 ARG 53 11.438 -25.782 35.122 1.00 65.04 ATOM 821 HH11 ARG 53 11.045 -25.655 34.220 1.00 13.22 ATOM 822 HH12 ARG 53 12.422 -25.929 35.225 1.00 10.25 ATOM 823 NH2 ARG 53 11.198 -25.927 37.338 1.00 25.15 ATOM 824 HH21 ARG 53 10.616 -25.914 38.152 1.00 34.42 ATOM 825 HH22 ARG 53 12.181 -26.061 37.428 1.00 64.34 ATOM 826 C ARG 53 4.974 -26.570 31.622 1.00 62.52 ATOM 827 O ARG 53 3.870 -26.026 31.661 1.00 11.43 ATOM 828 N LEU 54 5.631 -26.801 30.485 1.00 1.14 ATOM 829 HN LEU 54 6.522 -27.210 30.531 1.00 37.26 ATOM 830 CA LEU 54 5.076 -26.461 29.169 1.00 11.33 ATOM 831 HA LEU 54 4.947 -25.391 29.133 1.00 21.23 ATOM 832 CB LEU 54 6.062 -26.880 28.067 1.00 3.31 ATOM 833 HB1 LEU 54 6.249 -27.940 28.171 1.00 37.26 ATOM 834 HB2 LEU 54 6.993 -26.353 28.229 1.00 55.04 ATOM 835 CG LEU 54 5.603 -26.614 26.623 1.00 33.44 ATOM 836 HG LEU 54 4.671 -27.132 26.449 1.00 21.52 ATOM 837 CD1 LEU 54 5.354 -25.124 26.395 1.00 74.43 ATOM 838 HD11 LEU 54 5.057 -24.960 25.369 1.00 33.23 ATOM 839 HD12 LEU 54 6.259 -24.569 26.599 1.00 33.04 ATOM 840 HD13 LEU 54 4.568 -24.783 27.054 1.00 62.13 ATOM 841 CD2 LEU 54 6.632 -27.150 25.630 1.00 43.32 ATOM 842 HD21 LEU 54 6.288 -26.973 24.621 1.00 32.21 ATOM 843 HD22 LEU 54 6.761 -28.212 25.783 1.00 14.23 ATOM 844 HD23 LEU 54 7.578 -26.648 25.780 1.00 5.33 ATOM 845 C LEU 54 3.713 -27.133 28.940 1.00 13.32 ATOM 846 O LEU 54 2.719 -26.466 28.630 1.00 53.34 ATOM 847 N LEU 55 3.671 -28.452 29.105 1.00 73.04 ATOM 848 HN LEU 55 4.489 -28.925 29.365 1.00 37.26 ATOM 849 CA LEU 55 2.437 -29.218 28.905 1.00 33.34 ATOM 850 HA LEU 55 2.056 -28.970 27.924 1.00 11.03 ATOM 851 CB LEU 55 2.735 -30.724 28.949 1.00 75.11 ATOM 852 HB1 LEU 55 3.070 -30.975 29.946 1.00 37.26 ATOM 853 HB2 LEU 55 3.542 -30.929 28.257 1.00 24.12 ATOM 854 CG LEU 55 1.553 -31.642 28.595 1.00 35.34 ATOM 855 HG LEU 55 0.764 -31.498 29.320 1.00 3.24 ATOM 856 CD1 LEU 55 0.991 -31.299 27.217 1.00 24.24 ATOM 857 HD11 LEU 55 0.635 -30.278 27.216 1.00 54.45 ATOM 858 HD12 LEU 55 0.173 -31.964 26.984 1.00 55.03 ATOM 859 HD13 LEU 55 1.767 -31.409 26.471 1.00 62.02 ATOM 860 CD2 LEU 55 1.981 -33.106 28.649 1.00 23.23 ATOM 861 HD21 LEU 55 1.145 -33.735 28.386 1.00 55.03 ATOM 862 HD22 LEU 55 2.310 -33.349 29.649 1.00 53.24 ATOM 863 HD23 LEU 55 2.792 -33.274 27.953 1.00 32.42 ATOM 864 C LEU 55 1.370 -28.848 29.951 1.00 52.13 ATOM 865 O LEU 55 0.183 -28.805 29.644 1.00 73.00 ATOM 866 N GLU 56 1.803 -28.565 31.178 1.00 75.15 ATOM 867 HN GLU 56 2.757 -28.655 31.375 1.00 37.26 ATOM 868 CA GLU 56 0.891 -28.132 32.249 1.00 43.12 ATOM 869 HA GLU 56 0.046 -28.806 32.251 1.00 20.11 ATOM 870 CB GLU 56 1.594 -28.221 33.613 1.00 22.41 ATOM 871 HB1 GLU 56 1.100 -27.552 34.304 1.00 37.26 ATOM 872 HB2 GLU 56 2.620 -27.902 33.496 1.00 2.43 ATOM 873 CG GLU 56 1.599 -29.618 34.226 1.00 64.23 ATOM 874 HG1 GLU 56 2.237 -29.614 35.099 1.00 37.26 ATOM 875 HG2 GLU 56 1.995 -30.315 33.499 1.00 14.30 ATOM 876 CD GLU 56 0.208 -30.075 34.642 1.00 53.11 ATOM 877 OE1 GLU 56 -0.307 -31.058 34.075 1.00 21.11 ATOM 878 OE2 GLU 56 -0.382 -29.438 35.539 1.00 75.24 ATOM 879 C GLU 56 0.369 -26.702 32.021 1.00 13.00 ATOM 880 O GLU 56 -0.662 -26.313 32.575 1.00 74.22 ATOM 881 N ARG 57 1.092 -25.919 31.226 1.00 3.33 ATOM 882 HN ARG 57 1.948 -26.253 30.880 1.00 37.26 ATOM 883 CA ARG 57 0.657 -24.563 30.870 1.00 63.32 ATOM 884 HA ARG 57 0.274 -24.087 31.763 1.00 61.11 ATOM 885 CB ARG 57 1.849 -23.751 30.338 1.00 63.23 ATOM 886 HB1 ARG 57 2.208 -24.214 29.429 1.00 37.26 ATOM 887 HB2 ARG 57 2.641 -23.776 31.074 1.00 14.33 ATOM 888 CG ARG 57 1.527 -22.288 30.034 1.00 53.41 ATOM 889 HG1 ARG 57 0.679 -22.247 29.363 1.00 37.26 ATOM 890 HG2 ARG 57 2.384 -21.832 29.557 1.00 2.21 ATOM 891 CD ARG 57 1.196 -21.505 31.300 1.00 31.13 ATOM 892 HD1 ARG 57 2.043 -21.554 31.970 1.00 37.26 ATOM 893 HD2 ARG 57 0.338 -21.959 31.774 1.00 74.44 ATOM 894 NE ARG 57 0.892 -20.101 31.017 1.00 50.41 ATOM 895 HE ARG 57 0.513 -19.889 30.140 1.00 71.24 ATOM 896 CZ ARG 57 1.083 -19.123 31.862 1.00 44.23 ATOM 897 NH1 ARG 57 1.612 -19.347 33.022 1.00 3.33 ATOM 898 HH11 ARG 57 1.879 -20.267 33.278 1.00 14.33 ATOM 899 HH12 ARG 57 1.755 -18.586 33.656 1.00 3.45 ATOM 900 NH2 ARG 57 0.754 -17.917 31.545 1.00 33.14 ATOM 901 HH21 ARG 57 0.356 -17.725 30.649 1.00 31.34 ATOM 902 HH22 ARG 57 0.892 -17.177 32.204 1.00 11.33 ATOM 903 C ARG 57 -0.455 -24.608 29.810 1.00 60.44 ATOM 904 O ARG 57 -1.511 -23.987 29.962 1.00 12.01 ATOM 905 N LEU 58 -0.198 -25.346 28.735 1.00 75.55 ATOM 906 HN LEU 58 0.666 -25.815 28.680 1.00 37.26 ATOM 907 CA LEU 58 -1.147 -25.477 27.623 1.00 73.04 ATOM 908 HA LEU 58 -1.564 -24.499 27.426 1.00 22.44 ATOM 909 CB LEU 58 -0.393 -25.956 26.375 1.00 41.25 ATOM 910 HB1 LEU 58 -1.079 -25.958 25.540 1.00 37.26 ATOM 911 HB2 LEU 58 -0.058 -26.971 26.548 1.00 52.33 ATOM 912 CG LEU 58 0.829 -25.096 25.996 1.00 12.13 ATOM 913 HG LEU 58 1.509 -25.068 26.837 1.00 41.12 ATOM 914 CD1 LEU 58 1.582 -25.700 24.816 1.00 54.24 ATOM 915 HD11 LEU 58 1.882 -26.710 25.057 1.00 71.05 ATOM 916 HD12 LEU 58 2.461 -25.107 24.609 1.00 53.30 ATOM 917 HD13 LEU 58 0.946 -25.710 23.945 1.00 72.33 ATOM 918 CD2 LEU 58 0.407 -23.659 25.689 1.00 75.51 ATOM 919 HD21 LEU 58 -0.291 -23.653 24.865 1.00 5.34 ATOM 920 HD22 LEU 58 1.279 -23.076 25.425 1.00 65.22 ATOM 921 HD23 LEU 58 -0.062 -23.225 26.560 1.00 44.43 ATOM 922 C LEU 58 -2.296 -26.443 27.970 1.00 23.34 ATOM 923 O LEU 58 -3.456 -26.200 27.627 1.00 2.04 ATOM 924 N LEU 59 -1.962 -27.536 28.650 1.00 54.35 ATOM 925 HN LEU 59 -1.017 -27.690 28.855 1.00 37.26 ATOM 926 CA LEU 59 -2.953 -28.521 29.110 1.00 24.42 ATOM 927 HA LEU 59 -3.940 -28.116 28.928 1.00 51.33 ATOM 928 CB LEU 59 -2.804 -29.839 28.328 1.00 42.40 ATOM 929 HB1 LEU 59 -3.467 -30.570 28.771 1.00 37.26 ATOM 930 HB2 LEU 59 -1.787 -30.188 28.449 1.00 64.33 ATOM 931 CG LEU 59 -3.110 -29.767 26.824 1.00 22.43 ATOM 932 HG LEU 59 -2.500 -28.995 26.376 1.00 45.53 ATOM 933 CD1 LEU 59 -2.768 -31.091 26.145 1.00 10.24 ATOM 934 HD11 LEU 59 -3.358 -31.884 26.584 1.00 52.41 ATOM 935 HD12 LEU 59 -1.719 -31.307 26.281 1.00 60.42 ATOM 936 HD13 LEU 59 -2.987 -31.022 25.089 1.00 52.32 ATOM 937 CD2 LEU 59 -4.576 -29.410 26.588 1.00 3.45 ATOM 938 HD21 LEU 59 -5.207 -30.180 27.010 1.00 23.35 ATOM 939 HD22 LEU 59 -4.762 -29.336 25.526 1.00 61.02 ATOM 940 HD23 LEU 59 -4.800 -28.463 27.057 1.00 55.05 ATOM 941 C LEU 59 -2.800 -28.789 30.624 1.00 74.24 ATOM 942 O LEU 59 -2.160 -29.761 31.031 1.00 4.33 ATOM 943 N PRO 60 -3.371 -27.917 31.481 1.00 53.21 ATOM 944 CA PRO 60 -3.268 -28.058 32.948 1.00 44.33 ATOM 945 HA PRO 60 -2.233 -28.063 33.265 1.00 12.15 ATOM 946 CB PRO 60 -3.956 -26.788 33.479 1.00 33.13 ATOM 947 HB1 PRO 60 -3.209 -26.039 33.704 1.00 37.26 ATOM 948 HB2 PRO 60 -4.518 -27.019 34.374 1.00 24.02 ATOM 949 CG PRO 60 -4.851 -26.346 32.368 1.00 51.15 ATOM 950 HG1 PRO 60 -4.996 -25.276 32.416 1.00 37.26 ATOM 951 HG2 PRO 60 -5.801 -26.857 32.435 1.00 24.53 ATOM 952 CD PRO 60 -4.144 -26.722 31.095 1.00 32.24 ATOM 953 HD1 PRO 60 -3.487 -25.925 30.776 1.00 37.26 ATOM 954 HD2 PRO 60 -4.860 -26.957 30.321 1.00 2.14 ATOM 955 C PRO 60 -3.963 -29.325 33.484 1.00 23.41 ATOM 956 O PRO 60 -5.163 -29.534 33.267 1.00 10.51 ATOM 957 N GLY 61 -3.206 -30.164 34.189 1.00 60.13 ATOM 958 HN GLY 61 -2.263 -29.936 34.361 1.00 37.26 ATOM 959 CA GLY 61 -3.752 -31.413 34.711 1.00 43.11 ATOM 960 HA1 GLY 61 -4.805 -31.278 34.920 1.00 37.26 ATOM 961 HA2 GLY 61 -3.245 -31.653 35.634 1.00 43.13 ATOM 962 C GLY 61 -3.585 -32.578 33.745 1.00 30.04 ATOM 963 O GLY 61 -4.467 -33.429 33.618 1.00 72.11 ATOM 964 N THR 62 -2.451 -32.609 33.051 1.00 65.35 ATOM 965 HN THR 62 -1.805 -31.878 33.169 1.00 37.26 ATOM 966 CA THR 62 -2.136 -33.699 32.114 1.00 24.43 ATOM 967 HA THR 62 -3.004 -34.344 32.051 1.00 63.53 ATOM 968 CB THR 62 -1.834 -33.163 30.691 1.00 22.43 ATOM 969 HB THR 62 -0.940 -32.557 30.730 1.00 71.24 ATOM 970 OG1 THR 62 -2.928 -32.355 30.234 1.00 2.14 ATOM 971 HG1 THR 62 -2.751 -31.433 30.453 1.00 63.25 ATOM 972 CG2 THR 62 -1.613 -34.301 29.701 1.00 61.41 ATOM 973 HG21 THR 62 -1.426 -33.893 28.718 1.00 30.51 ATOM 974 HG22 THR 62 -2.492 -34.928 29.668 1.00 41.13 ATOM 975 HG23 THR 62 -0.762 -34.892 30.011 1.00 13.21 ATOM 976 C THR 62 -0.947 -34.531 32.612 1.00 53.03 ATOM 977 O THR 62 -0.864 -35.734 32.357 1.00 20.11 ATOM 978 N ILE 63 -0.023 -33.884 33.319 1.00 64.33 ATOM 979 HN ILE 63 -0.098 -32.911 33.424 1.00 37.26 ATOM 980 CA ILE 63 1.100 -34.583 33.950 1.00 24.43 ATOM 981 HA ILE 63 1.461 -35.336 33.259 1.00 54.24 ATOM 982 CB ILE 63 2.265 -33.609 34.271 1.00 21.54 ATOM 983 HB ILE 63 1.898 -32.867 34.967 1.00 41.44 ATOM 984 CG1 ILE 63 2.747 -32.898 32.993 1.00 11.14 ATOM 985 HG11 ILE 63 3.517 -32.184 33.253 1.00 37.26 ATOM 986 HG12 ILE 63 1.916 -32.370 32.547 1.00 12.23 ATOM 987 CG2 ILE 63 3.423 -34.350 34.942 1.00 21.43 ATOM 988 HG21 ILE 63 3.094 -34.753 35.889 1.00 52.23 ATOM 989 HG22 ILE 63 4.244 -33.667 35.108 1.00 74.35 ATOM 990 HG23 ILE 63 3.753 -35.159 34.304 1.00 1.14 ATOM 991 CD1 ILE 63 3.318 -33.833 31.945 1.00 73.11 ATOM 992 HD11 ILE 63 3.630 -33.262 31.083 1.00 73.54 ATOM 993 HD12 ILE 63 2.562 -34.546 31.647 1.00 72.43 ATOM 994 HD13 ILE 63 4.167 -34.359 32.354 1.00 21.01 ATOM 995 C ILE 63 0.638 -35.268 35.247 1.00 13.34 ATOM 996 O ILE 63 0.144 -34.608 36.163 1.00 1.13 ATOM 997 N GLU 64 0.796 -36.587 35.323 1.00 50.23 ATOM 998 HN GLU 64 1.257 -37.055 34.595 1.00 37.26 ATOM 999 CA GLU 64 0.309 -37.357 36.475 1.00 62.11 ATOM 1000 HA GLU 64 -0.581 -36.868 36.845 1.00 53.02 ATOM 1001 CB GLU 64 -0.061 -38.780 36.038 1.00 24.13 ATOM 1002 HB1 GLU 64 0.835 -39.286 35.704 1.00 37.26 ATOM 1003 HB2 GLU 64 -0.755 -38.720 35.211 1.00 21.24 ATOM 1004 CG GLU 64 -0.703 -39.620 37.138 1.00 25.22 ATOM 1005 HG1 GLU 64 -1.568 -39.093 37.518 1.00 37.26 ATOM 1006 HG2 GLU 64 0.012 -39.754 37.937 1.00 22.34 ATOM 1007 CD GLU 64 -1.146 -40.988 36.642 1.00 2.05 ATOM 1008 OE1 GLU 64 -0.395 -41.970 36.834 1.00 1.34 ATOM 1009 OE2 GLU 64 -2.245 -41.082 36.051 1.00 22.14 ATOM 1010 C GLU 64 1.348 -37.399 37.605 1.00 70.12 ATOM 1011 O GLU 64 1.005 -37.280 38.785 1.00 35.05 ATOM 1012 N LYS 65 2.617 -37.570 37.243 1.00 14.03 ATOM 1013 HN LYS 65 2.833 -37.693 36.290 1.00 37.26 ATOM 1014 CA LYS 65 3.699 -37.576 38.233 1.00 33.41 ATOM 1015 HA LYS 65 3.394 -36.940 39.053 1.00 33.23 ATOM 1016 CB LYS 65 3.938 -38.989 38.775 1.00 51.25 ATOM 1017 HB1 LYS 65 4.226 -39.636 37.959 1.00 37.26 ATOM 1018 HB2 LYS 65 3.019 -39.357 39.209 1.00 31.01 ATOM 1019 CG LYS 65 5.029 -39.038 39.838 1.00 64.43 ATOM 1020 HG1 LYS 65 4.747 -38.389 40.655 1.00 37.26 ATOM 1021 HG2 LYS 65 5.956 -38.688 39.405 1.00 33.32 ATOM 1022 CD LYS 65 5.243 -40.444 40.375 1.00 64.00 ATOM 1023 HD1 LYS 65 5.608 -41.071 39.576 1.00 37.26 ATOM 1024 HD2 LYS 65 4.301 -40.827 40.737 1.00 33.42 ATOM 1025 CE LYS 65 6.254 -40.453 41.515 1.00 41.40 ATOM 1026 HE1 LYS 65 7.216 -40.145 41.130 1.00 37.26 ATOM 1027 HE2 LYS 65 6.329 -41.455 41.907 1.00 74.11 ATOM 1028 NZ LYS 65 5.858 -39.533 42.616 1.00 13.32 ATOM 1029 HZ1 LYS 65 5.874 -38.546 42.285 1.00 22.24 ATOM 1030 HZ2 LYS 65 6.518 -39.624 43.416 1.00 70.53 ATOM 1031 HZ3 LYS 65 4.898 -39.758 42.948 1.00 32.24 ATOM 1032 C LYS 65 5.007 -37.023 37.655 1.00 34.43 ATOM 1033 O LYS 65 5.543 -37.551 36.681 1.00 25.03 ATOM 1034 N VAL 66 5.535 -35.988 38.294 1.00 10.13 ATOM 1035 HN VAL 66 5.092 -35.660 39.106 1.00 37.26 ATOM 1036 CA VAL 66 6.764 -35.330 37.839 1.00 14.42 ATOM 1037 HA VAL 66 7.242 -35.978 37.115 1.00 3.40 ATOM 1038 CB VAL 66 6.455 -33.973 37.150 1.00 73.21 ATOM 1039 HB VAL 66 5.756 -34.159 36.344 1.00 3.44 ATOM 1040 CG1 VAL 66 5.794 -33.002 38.128 1.00 30.34 ATOM 1041 HG11 VAL 66 4.892 -33.445 38.523 1.00 12.21 ATOM 1042 HG12 VAL 66 5.547 -32.083 37.617 1.00 60.55 ATOM 1043 HG13 VAL 66 6.475 -32.789 38.941 1.00 42.43 ATOM 1044 CG2 VAL 66 7.719 -33.359 36.547 1.00 21.13 ATOM 1045 HG21 VAL 66 8.148 -34.045 35.830 1.00 44.24 ATOM 1046 HG22 VAL 66 8.437 -33.163 37.331 1.00 11.31 ATOM 1047 HG23 VAL 66 7.469 -32.432 36.050 1.00 3.40 ATOM 1048 C VAL 66 7.732 -35.096 39.009 1.00 62.34 ATOM 1049 O VAL 66 7.310 -34.905 40.152 1.00 32.54 ATOM 1050 N TYR 67 9.029 -35.126 38.717 1.00 23.14 ATOM 1051 HN TYR 67 9.301 -35.314 37.792 1.00 37.26 ATOM 1052 CA TYR 67 10.065 -34.887 39.726 1.00 12.34 ATOM 1053 HA TYR 67 9.629 -35.064 40.701 1.00 55.24 ATOM 1054 CB TYR 67 11.231 -35.862 39.520 1.00 62.01 ATOM 1055 HB1 TYR 67 11.984 -35.679 40.274 1.00 37.26 ATOM 1056 HB2 TYR 67 11.663 -35.696 38.542 1.00 11.21 ATOM 1057 CG TYR 67 10.818 -37.322 39.609 1.00 75.23 ATOM 1058 CD1 TYR 67 10.354 -38.007 38.490 1.00 24.41 ATOM 1059 HD1 TYR 67 10.288 -37.486 37.545 1.00 11.14 ATOM 1060 CD2 TYR 67 10.891 -38.013 40.813 1.00 25.23 ATOM 1061 HD2 TYR 67 11.248 -37.498 41.694 1.00 62.03 ATOM 1062 CE1 TYR 67 9.973 -39.333 38.571 1.00 13.43 ATOM 1063 HE1 TYR 67 9.615 -39.846 37.690 1.00 50.21 ATOM 1064 CE2 TYR 67 10.513 -39.337 40.900 1.00 62.14 ATOM 1065 HE2 TYR 67 10.578 -39.855 41.846 1.00 13.30 ATOM 1066 CZ TYR 67 10.057 -39.993 39.778 1.00 64.23 ATOM 1067 OH TYR 67 9.681 -41.314 39.866 1.00 54.22 ATOM 1068 HH TYR 67 10.113 -41.815 39.164 1.00 0.51 ATOM 1069 C TYR 67 10.569 -33.435 39.665 1.00 23.44 ATOM 1070 O TYR 67 11.362 -33.081 38.790 1.00 1.33 ATOM 1071 N PRO 68 10.113 -32.570 40.596 1.00 33.22 ATOM 1072 CA PRO 68 10.482 -31.141 40.599 1.00 73.23 ATOM 1073 HA PRO 68 10.299 -30.689 39.634 1.00 61.41 ATOM 1074 CB PRO 68 9.530 -30.537 41.637 1.00 44.13 ATOM 1075 HB1 PRO 68 8.644 -30.168 41.140 1.00 37.26 ATOM 1076 HB2 PRO 68 10.019 -29.725 42.157 1.00 0.01 ATOM 1077 CG PRO 68 9.201 -31.664 42.560 1.00 71.33 ATOM 1078 HG1 PRO 68 8.221 -31.510 42.992 1.00 37.26 ATOM 1079 HG2 PRO 68 9.948 -31.733 43.339 1.00 42.43 ATOM 1080 CD PRO 68 9.208 -32.911 41.715 1.00 44.23 ATOM 1081 HD1 PRO 68 8.213 -33.127 41.351 1.00 37.26 ATOM 1082 HD2 PRO 68 9.592 -33.748 42.281 1.00 55.40 ATOM 1083 C PRO 68 11.949 -30.903 40.990 1.00 4.20 ATOM 1084 O PRO 68 12.476 -29.794 40.841 1.00 2.44 ATOM 1085 N GLU 69 12.597 -31.948 41.492 1.00 51.33 ATOM 1086 HN GLU 69 12.102 -32.780 41.644 1.00 37.26 ATOM 1087 CA GLU 69 14.021 -31.904 41.834 1.00 61.11 ATOM 1088 HA GLU 69 14.463 -31.070 41.304 1.00 2.24 ATOM 1089 CB GLU 69 14.197 -31.680 43.345 1.00 43.30 ATOM 1090 HB1 GLU 69 13.869 -30.678 43.588 1.00 37.26 ATOM 1091 HB2 GLU 69 15.247 -31.771 43.590 1.00 43.23 ATOM 1092 CG GLU 69 13.415 -32.664 44.213 1.00 15.42 ATOM 1093 HG1 GLU 69 13.756 -33.667 43.996 1.00 37.26 ATOM 1094 HG2 GLU 69 12.365 -32.586 43.967 1.00 14.35 ATOM 1095 CD GLU 69 13.587 -32.402 45.698 1.00 62.45 ATOM 1096 OE1 GLU 69 12.731 -31.708 46.289 1.00 31.25 ATOM 1097 OE2 GLU 69 14.585 -32.878 46.280 1.00 3.42 ATOM 1098 C GLU 69 14.729 -33.196 41.383 1.00 55.24 ATOM 1099 O GLU 69 15.045 -34.065 42.198 1.00 34.14 ATOM 1100 N PRO 70 14.974 -33.343 40.065 1.00 2.04 ATOM 1101 CA PRO 70 15.572 -34.567 39.504 1.00 2.05 ATOM 1102 HA PRO 70 14.982 -35.438 39.760 1.00 50.21 ATOM 1103 CB PRO 70 15.502 -34.336 37.986 1.00 71.23 ATOM 1104 HB1 PRO 70 14.611 -34.803 37.590 1.00 37.26 ATOM 1105 HB2 PRO 70 16.376 -34.757 37.508 1.00 44.23 ATOM 1106 CG PRO 70 15.451 -32.853 37.827 1.00 21.40 ATOM 1107 HG1 PRO 70 14.931 -32.598 36.915 1.00 37.26 ATOM 1108 HG2 PRO 70 16.455 -32.451 37.812 1.00 54.53 ATOM 1109 CD PRO 70 14.697 -32.335 39.023 1.00 32.34 ATOM 1110 HD1 PRO 70 13.638 -32.283 38.811 1.00 37.26 ATOM 1111 HD2 PRO 70 15.072 -31.364 39.316 1.00 12.02 ATOM 1112 C PRO 70 17.021 -34.791 39.971 1.00 65.31 ATOM 1113 O PRO 70 17.953 -34.125 39.511 1.00 41.04 ATOM 1114 N ARG 71 17.199 -35.726 40.900 1.00 53.44 ATOM 1115 HN ARG 71 16.418 -36.230 41.225 1.00 37.26 ATOM 1116 CA ARG 71 18.521 -36.027 41.459 1.00 75.41 ATOM 1117 HA ARG 71 19.089 -35.107 41.487 1.00 40.05 ATOM 1118 CB ARG 71 18.367 -36.561 42.894 1.00 61.24 ATOM 1119 HB1 ARG 71 19.349 -36.666 43.335 1.00 37.26 ATOM 1120 HB2 ARG 71 17.896 -37.534 42.855 1.00 42.24 ATOM 1121 CG ARG 71 17.527 -35.662 43.805 1.00 34.44 ATOM 1122 HG1 ARG 71 17.470 -36.114 44.786 1.00 37.26 ATOM 1123 HG2 ARG 71 16.531 -35.579 43.391 1.00 45.13 ATOM 1124 CD ARG 71 18.122 -34.264 43.937 1.00 42.22 ATOM 1125 HD1 ARG 71 18.191 -33.823 42.952 1.00 37.26 ATOM 1126 HD2 ARG 71 19.113 -34.347 44.360 1.00 4.21 ATOM 1127 NE ARG 71 17.317 -33.389 44.791 1.00 14.30 ATOM 1128 HE ARG 71 16.467 -33.741 45.135 1.00 62.53 ATOM 1129 CZ ARG 71 17.661 -32.173 45.120 1.00 22.23 ATOM 1130 NH1 ARG 71 18.769 -31.663 44.685 1.00 43.24 ATOM 1131 HH11 ARG 71 19.365 -32.199 44.092 1.00 31.43 ATOM 1132 HH12 ARG 71 19.027 -30.734 44.947 1.00 74.21 ATOM 1133 NH2 ARG 71 16.893 -31.465 45.878 1.00 31.51 ATOM 1134 HH21 ARG 71 16.035 -31.851 46.214 1.00 71.22 ATOM 1135 HH22 ARG 71 17.154 -30.533 46.120 1.00 24.11 ATOM 1136 C ARG 71 19.278 -37.050 40.592 1.00 42.54 ATOM 1137 O ARG 71 20.512 -37.066 40.560 1.00 63.25 ATOM 1138 N SER 72 18.527 -37.902 39.893 1.00 4.24 ATOM 1139 HN SER 72 17.550 -37.825 39.958 1.00 37.26 ATOM 1140 CA SER 72 19.100 -38.963 39.045 1.00 3.52 ATOM 1141 HA SER 72 20.168 -38.810 38.991 1.00 21.11 ATOM 1142 CB SER 72 18.826 -40.338 39.681 1.00 72.05 ATOM 1143 HB1 SER 72 19.155 -41.117 39.009 1.00 37.26 ATOM 1144 HB2 SER 72 17.766 -40.444 39.860 1.00 41.13 ATOM 1145 OG SER 72 19.510 -40.490 40.921 1.00 21.44 ATOM 1146 HG SER 72 19.970 -39.669 41.141 1.00 4.11 ATOM 1147 C SER 72 18.523 -38.930 37.616 1.00 11.33 ATOM 1148 O SER 72 17.522 -38.257 37.353 1.00 62.33 ATOM 1149 N GLU 73 19.155 -39.672 36.697 1.00 3.33 ATOM 1150 HN GLU 73 19.946 -40.184 36.964 1.00 37.26 ATOM 1151 CA GLU 73 18.698 -39.746 35.295 1.00 55.12 ATOM 1152 HA GLU 73 18.728 -38.745 34.887 1.00 51.15 ATOM 1153 CB GLU 73 19.626 -40.647 34.467 1.00 1.44 ATOM 1154 HB1 GLU 73 19.174 -40.819 33.499 1.00 37.26 ATOM 1155 HB2 GLU 73 19.734 -41.594 34.977 1.00 63.21 ATOM 1156 CG GLU 73 21.012 -40.066 34.248 1.00 5.24 ATOM 1157 HG1 GLU 73 21.469 -39.882 35.210 1.00 37.26 ATOM 1158 HG2 GLU 73 20.908 -39.131 33.717 1.00 51.55 ATOM 1159 CD GLU 73 21.918 -40.981 33.441 1.00 25.01 ATOM 1160 OE1 GLU 73 22.541 -41.888 34.039 1.00 45.13 ATOM 1161 OE2 GLU 73 22.028 -40.790 32.213 1.00 32.00 ATOM 1162 C GLU 73 17.267 -40.275 35.192 1.00 62.43 ATOM 1163 O GLU 73 16.443 -39.719 34.466 1.00 45.11 ATOM 1164 N SER 74 16.984 -41.352 35.924 1.00 62.35 ATOM 1165 HN SER 74 17.693 -41.748 36.475 1.00 37.26 ATOM 1166 CA SER 74 15.648 -41.969 35.939 1.00 24.23 ATOM 1167 HA SER 74 15.508 -42.488 35.001 1.00 65.31 ATOM 1168 CB SER 74 15.555 -42.977 37.087 1.00 2.52 ATOM 1169 HB1 SER 74 16.280 -43.763 36.934 1.00 37.26 ATOM 1170 HB2 SER 74 14.561 -43.404 37.117 1.00 52.14 ATOM 1171 OG SER 74 15.823 -42.347 38.330 1.00 54.54 ATOM 1172 HG SER 74 15.571 -42.937 39.050 1.00 45.14 ATOM 1173 C SER 74 14.544 -40.916 36.095 1.00 10.22 ATOM 1174 O SER 74 13.515 -40.970 35.421 1.00 31.33 ATOM 1175 N GLU 75 14.780 -39.951 36.978 1.00 55.22 ATOM 1176 HN GLU 75 15.614 -39.977 37.492 1.00 37.26 ATOM 1177 CA GLU 75 13.833 -38.859 37.219 1.00 5.22 ATOM 1178 HA GLU 75 12.873 -39.301 37.445 1.00 52.52 ATOM 1179 CB GLU 75 14.294 -38.039 38.428 1.00 72.54 ATOM 1180 HB1 GLU 75 13.612 -37.214 38.574 1.00 37.26 ATOM 1181 HB2 GLU 75 15.282 -37.646 38.227 1.00 74.24 ATOM 1182 CG GLU 75 14.351 -38.845 39.719 1.00 71.21 ATOM 1183 HG1 GLU 75 14.959 -39.724 39.551 1.00 37.26 ATOM 1184 HG2 GLU 75 13.349 -39.148 39.987 1.00 11.43 ATOM 1185 CD GLU 75 14.942 -38.053 40.869 1.00 54.41 ATOM 1186 OE1 GLU 75 14.271 -37.131 41.368 1.00 25.23 ATOM 1187 OE2 GLU 75 16.089 -38.342 41.266 1.00 21.11 ATOM 1188 C GLU 75 13.681 -37.948 35.988 1.00 54.00 ATOM 1189 O GLU 75 12.582 -37.803 35.454 1.00 23.13 ATOM 1190 N CYS 76 14.789 -37.344 35.540 1.00 54.44 ATOM 1191 HN CYS 76 15.636 -37.499 36.010 1.00 37.26 ATOM 1192 CA CYS 76 14.776 -36.454 34.363 1.00 35.43 ATOM 1193 HA CYS 76 14.217 -35.566 34.624 1.00 31.24 ATOM 1194 CB CYS 76 16.209 -36.048 33.983 1.00 31.13 ATOM 1195 HB1 CYS 76 16.172 -35.341 33.165 1.00 37.26 ATOM 1196 HB2 CYS 76 16.752 -36.926 33.666 1.00 51.23 ATOM 1197 SG CYS 76 17.154 -35.282 35.325 1.00 60.24 ATOM 1198 HG CYS 76 16.974 -33.969 35.257 1.00 4.40 ATOM 1199 C CYS 76 14.102 -37.132 33.160 1.00 34.22 ATOM 1200 O CYS 76 13.243 -36.551 32.496 1.00 21.10 ATOM 1201 N LEU 77 14.495 -38.377 32.903 1.00 21.33 ATOM 1202 HN LEU 77 15.194 -38.772 33.463 1.00 37.26 ATOM 1203 CA LEU 77 13.928 -39.176 31.813 1.00 25.51 ATOM 1204 HA LEU 77 14.092 -38.635 30.891 1.00 3.11 ATOM 1205 CB LEU 77 14.660 -40.524 31.732 1.00 20.11 ATOM 1206 HB1 LEU 77 14.193 -41.122 30.962 1.00 37.26 ATOM 1207 HB2 LEU 77 14.541 -41.033 32.680 1.00 72.00 ATOM 1208 CG LEU 77 16.166 -40.426 31.418 1.00 75.22 ATOM 1209 HG LEU 77 16.608 -39.675 32.059 1.00 44.21 ATOM 1210 CD1 LEU 77 16.879 -41.749 31.695 1.00 22.42 ATOM 1211 HD11 LEU 77 16.512 -42.510 31.021 1.00 11.30 ATOM 1212 HD12 LEU 77 16.690 -42.052 32.716 1.00 3.20 ATOM 1213 HD13 LEU 77 17.944 -41.622 31.553 1.00 43.43 ATOM 1214 CD2 LEU 77 16.383 -39.992 29.969 1.00 44.33 ATOM 1215 HD21 LEU 77 15.895 -40.692 29.305 1.00 71.13 ATOM 1216 HD22 LEU 77 17.442 -39.973 29.753 1.00 11.23 ATOM 1217 HD23 LEU 77 15.969 -39.005 29.820 1.00 23.21 ATOM 1218 C LEU 77 12.414 -39.391 31.996 1.00 35.55 ATOM 1219 O LEU 77 11.643 -39.276 31.042 1.00 0.14 ATOM 1220 N SER 78 11.991 -39.690 33.230 1.00 42.13 ATOM 1221 HN SER 78 12.653 -39.793 33.949 1.00 37.26 ATOM 1222 CA SER 78 10.559 -39.871 33.538 1.00 60.32 ATOM 1223 HA SER 78 10.177 -40.626 32.864 1.00 45.03 ATOM 1224 CB SER 78 10.359 -40.355 34.983 1.00 21.14 ATOM 1225 HB1 SER 78 9.302 -40.382 35.211 1.00 37.26 ATOM 1226 HB2 SER 78 10.855 -39.677 35.662 1.00 2.43 ATOM 1227 OG SER 78 10.895 -41.657 35.170 1.00 64.31 ATOM 1228 HG SER 78 11.753 -41.591 35.603 1.00 1.31 ATOM 1229 C SER 78 9.768 -38.576 33.310 1.00 11.20 ATOM 1230 O SER 78 8.635 -38.611 32.825 1.00 61.55 ATOM 1231 N ASN 79 10.372 -37.436 33.656 1.00 45.23 ATOM 1232 HN ASN 79 11.250 -37.477 34.092 1.00 37.26 ATOM 1233 CA ASN 79 9.757 -36.125 33.408 1.00 2.23 ATOM 1234 HA ASN 79 8.819 -36.092 33.945 1.00 23.14 ATOM 1235 CB ASN 79 10.667 -34.999 33.919 1.00 4.52 ATOM 1236 HB1 ASN 79 10.199 -34.046 33.719 1.00 37.26 ATOM 1237 HB2 ASN 79 11.613 -35.046 33.397 1.00 54.22 ATOM 1238 CG ASN 79 10.941 -35.092 35.409 1.00 40.03 ATOM 1239 OD1 ASN 79 10.136 -35.609 36.171 1.00 53.45 ATOM 1240 ND2 ASN 79 12.076 -34.579 35.840 1.00 3.32 ATOM 1241 HD21 ASN 79 12.678 -34.168 35.185 1.00 2.11 ATOM 1242 HD22 ASN 79 12.263 -34.623 36.799 1.00 41.43 ATOM 1243 C ASN 79 9.479 -35.930 31.908 1.00 1.24 ATOM 1244 O ASN 79 8.442 -35.389 31.514 1.00 43.23 ATOM 1245 N ILE 80 10.416 -36.383 31.075 1.00 41.02 ATOM 1246 HN ILE 80 11.251 -36.741 31.448 1.00 37.26 ATOM 1247 CA ILE 80 10.238 -36.349 29.620 1.00 24.13 ATOM 1248 HA ILE 80 9.925 -35.350 29.348 1.00 60.15 ATOM 1249 CB ILE 80 11.566 -36.663 28.877 1.00 54.12 ATOM 1250 HB ILE 80 11.863 -37.672 29.129 1.00 32.45 ATOM 1251 CG1 ILE 80 12.672 -35.692 29.324 1.00 71.33 ATOM 1252 HG11 ILE 80 12.776 -35.746 30.399 1.00 37.26 ATOM 1253 HG12 ILE 80 12.394 -34.686 29.048 1.00 22.51 ATOM 1254 CG2 ILE 80 11.369 -36.594 27.361 1.00 71.35 ATOM 1255 HG21 ILE 80 11.055 -35.599 27.082 1.00 11.41 ATOM 1256 HG22 ILE 80 10.613 -37.306 27.063 1.00 33.20 ATOM 1257 HG23 ILE 80 12.299 -36.832 26.863 1.00 53.44 ATOM 1258 CD1 ILE 80 14.028 -35.979 28.713 1.00 52.12 ATOM 1259 HD11 ILE 80 14.742 -35.249 29.066 1.00 33.34 ATOM 1260 HD12 ILE 80 13.960 -35.924 27.636 1.00 42.11 ATOM 1261 HD13 ILE 80 14.352 -36.968 29.004 1.00 42.43 ATOM 1262 C ILE 80 9.153 -37.348 29.179 1.00 60.32 ATOM 1263 O ILE 80 8.335 -37.048 28.308 1.00 54.10 ATOM 1264 N ARG 81 9.143 -38.533 29.802 1.00 53.11 ATOM 1265 HN ARG 81 9.828 -38.713 30.482 1.00 37.26 ATOM 1266 CA ARG 81 8.143 -39.570 29.502 1.00 30.12 ATOM 1267 HA ARG 81 8.240 -39.821 28.454 1.00 60.14 ATOM 1268 CB ARG 81 8.412 -40.832 30.338 1.00 2.23 ATOM 1269 HB1 ARG 81 7.620 -41.546 30.158 1.00 37.26 ATOM 1270 HB2 ARG 81 8.409 -40.563 31.385 1.00 34.14 ATOM 1271 CG ARG 81 9.744 -41.508 30.022 1.00 34.43 ATOM 1272 HG1 ARG 81 10.537 -40.782 30.127 1.00 37.26 ATOM 1273 HG2 ARG 81 9.722 -41.870 29.003 1.00 53.21 ATOM 1274 CD ARG 81 10.021 -42.684 30.957 1.00 73.42 ATOM 1275 HD1 ARG 81 9.248 -43.428 30.817 1.00 37.26 ATOM 1276 HD2 ARG 81 9.994 -42.330 31.979 1.00 22.34 ATOM 1277 NE ARG 81 11.325 -43.300 30.704 1.00 55.32 ATOM 1278 HE ARG 81 11.750 -43.118 29.841 1.00 62.32 ATOM 1279 CZ ARG 81 11.959 -44.066 31.558 1.00 10.41 ATOM 1280 NH1 ARG 81 11.415 -44.388 32.688 1.00 54.34 ATOM 1281 HH11 ARG 81 10.501 -44.057 32.915 1.00 62.53 ATOM 1282 HH12 ARG 81 11.907 -44.973 33.324 1.00 15.23 ATOM 1283 NH2 ARG 81 13.127 -44.536 31.270 1.00 12.45 ATOM 1284 HH21 ARG 81 13.551 -44.319 30.392 1.00 61.11 ATOM 1285 HH22 ARG 81 13.604 -45.118 31.926 1.00 41.53 ATOM 1286 C ARG 81 6.709 -39.065 29.750 1.00 74.12 ATOM 1287 O ARG 81 5.792 -39.390 28.997 1.00 63.11 ATOM 1288 N GLU 82 6.522 -38.272 30.807 1.00 12.35 ATOM 1289 HN GLU 82 7.272 -38.113 31.421 1.00 37.26 ATOM 1290 CA GLU 82 5.220 -37.645 31.090 1.00 14.42 ATOM 1291 HA GLU 82 4.483 -38.436 31.149 1.00 21.24 ATOM 1292 CB GLU 82 5.259 -36.904 32.433 1.00 62.24 ATOM 1293 HB1 GLU 82 4.372 -36.290 32.521 1.00 37.26 ATOM 1294 HB2 GLU 82 6.129 -36.263 32.452 1.00 44.22 ATOM 1295 CG GLU 82 5.323 -37.823 33.647 1.00 20.54 ATOM 1296 HG1 GLU 82 5.411 -37.214 34.536 1.00 37.26 ATOM 1297 HG2 GLU 82 6.199 -38.452 33.560 1.00 31.32 ATOM 1298 CD GLU 82 4.093 -38.711 33.783 1.00 52.42 ATOM 1299 OE1 GLU 82 4.188 -39.925 33.475 1.00 35.23 ATOM 1300 OE2 GLU 82 3.028 -38.205 34.206 1.00 74.44 ATOM 1301 C GLU 82 4.805 -36.680 29.968 1.00 31.34 ATOM 1302 O GLU 82 3.649 -36.671 29.539 1.00 41.10 ATOM 1303 N PHE 83 5.751 -35.869 29.499 1.00 24.52 ATOM 1304 HN PHE 83 6.633 -35.871 29.927 1.00 37.26 ATOM 1305 CA PHE 83 5.508 -34.971 28.364 1.00 54.41 ATOM 1306 HA PHE 83 4.705 -34.299 28.639 1.00 41.03 ATOM 1307 CB PHE 83 6.771 -34.148 28.067 1.00 25.31 ATOM 1308 HB1 PHE 83 7.577 -34.824 27.812 1.00 37.26 ATOM 1309 HB2 PHE 83 7.047 -33.596 28.954 1.00 12.24 ATOM 1310 CG PHE 83 6.616 -33.159 26.935 1.00 42.31 ATOM 1311 CD1 PHE 83 7.167 -33.410 25.684 1.00 3.31 ATOM 1312 HD1 PHE 83 7.712 -34.330 25.519 1.00 71.23 ATOM 1313 CD2 PHE 83 5.920 -31.974 27.127 1.00 13.44 ATOM 1314 HD2 PHE 83 5.483 -31.765 28.094 1.00 33.31 ATOM 1315 CE1 PHE 83 7.027 -32.500 24.653 1.00 62.22 ATOM 1316 HE1 PHE 83 7.461 -32.707 23.684 1.00 12.23 ATOM 1317 CE2 PHE 83 5.777 -31.062 26.099 1.00 74.20 ATOM 1318 HE2 PHE 83 5.234 -30.143 26.264 1.00 40.11 ATOM 1319 CZ PHE 83 6.331 -31.324 24.861 1.00 30.33 ATOM 1320 HZ PHE 83 6.222 -30.611 24.057 1.00 40.43 ATOM 1321 C PHE 83 5.088 -35.773 27.119 1.00 21.14 ATOM 1322 O PHE 83 4.127 -35.421 26.428 1.00 21.43 ATOM 1323 N LEU 84 5.815 -36.859 26.853 1.00 42.50 ATOM 1324 HN LEU 84 6.594 -37.053 27.417 1.00 37.26 ATOM 1325 CA LEU 84 5.496 -37.771 25.745 1.00 3.24 ATOM 1326 HA LEU 84 5.515 -37.201 24.827 1.00 34.04 ATOM 1327 CB LEU 84 6.548 -38.890 25.663 1.00 54.24 ATOM 1328 HB1 LEU 84 6.282 -39.546 24.846 1.00 37.26 ATOM 1329 HB2 LEU 84 6.511 -39.458 26.583 1.00 55.42 ATOM 1330 CG LEU 84 7.993 -38.415 25.446 1.00 5.32 ATOM 1331 HG LEU 84 8.264 -37.740 26.246 1.00 24.32 ATOM 1332 CD1 LEU 84 8.963 -39.593 25.482 1.00 41.51 ATOM 1333 HD11 LEU 84 9.974 -39.232 25.358 1.00 71.42 ATOM 1334 HD12 LEU 84 8.727 -40.280 24.681 1.00 53.04 ATOM 1335 HD13 LEU 84 8.878 -40.104 26.431 1.00 71.41 ATOM 1336 CD2 LEU 84 8.114 -37.653 24.130 1.00 1.13 ATOM 1337 HD21 LEU 84 7.483 -36.775 24.162 1.00 52.33 ATOM 1338 HD22 LEU 84 7.803 -38.288 23.312 1.00 51.33 ATOM 1339 HD23 LEU 84 9.140 -37.351 23.981 1.00 52.24 ATOM 1340 C LEU 84 4.098 -38.386 25.916 1.00 63.40 ATOM 1341 O LEU 84 3.314 -38.454 24.968 1.00 3.05 ATOM 1342 N ARG 85 3.802 -38.822 27.139 1.00 62.13 ATOM 1343 HN ARG 85 4.475 -38.731 27.845 1.00 37.26 ATOM 1344 CA ARG 85 2.506 -39.426 27.470 1.00 32.44 ATOM 1345 HA ARG 85 2.376 -40.302 26.847 1.00 11.35 ATOM 1346 CB ARG 85 2.491 -39.854 28.947 1.00 74.30 ATOM 1347 HB1 ARG 85 2.644 -38.976 29.562 1.00 37.26 ATOM 1348 HB2 ARG 85 3.308 -40.542 29.118 1.00 31.00 ATOM 1349 CG ARG 85 1.194 -40.531 29.397 1.00 61.11 ATOM 1350 HG1 ARG 85 0.359 -39.903 29.120 1.00 37.26 ATOM 1351 HG2 ARG 85 1.215 -40.645 30.471 1.00 43.04 ATOM 1352 CD ARG 85 1.013 -41.909 28.763 1.00 64.40 ATOM 1353 HD1 ARG 85 0.991 -41.799 27.687 1.00 37.26 ATOM 1354 HD2 ARG 85 0.072 -42.325 29.098 1.00 13.15 ATOM 1355 NE ARG 85 2.098 -42.821 29.126 1.00 50.33 ATOM 1356 HE ARG 85 2.975 -42.427 29.306 1.00 61.42 ATOM 1357 CZ ARG 85 1.975 -44.119 29.229 1.00 53.00 ATOM 1358 NH1 ARG 85 0.841 -44.701 29.005 1.00 23.43 ATOM 1359 HH11 ARG 85 0.043 -44.161 28.748 1.00 13.43 ATOM 1360 HH12 ARG 85 0.764 -45.693 29.097 1.00 3.13 ATOM 1361 NH2 ARG 85 2.997 -44.839 29.559 1.00 74.41 ATOM 1362 HH21 ARG 85 3.875 -44.404 29.736 1.00 4.22 ATOM 1363 HH22 ARG 85 2.902 -45.830 29.640 1.00 14.11 ATOM 1364 C ARG 85 1.353 -38.446 27.200 1.00 43.04 ATOM 1365 O ARG 85 0.460 -38.725 26.403 1.00 1.52 ATOM 1366 N GLY 86 1.394 -37.292 27.861 1.00 23.30 ATOM 1367 HN GLY 86 2.157 -37.108 28.452 1.00 37.26 ATOM 1368 CA GLY 86 0.332 -36.301 27.722 1.00 20.24 ATOM 1369 HA1 GLY 86 0.577 -35.449 28.337 1.00 37.26 ATOM 1370 HA2 GLY 86 -0.592 -36.730 28.084 1.00 12.31 ATOM 1371 C GLY 86 0.123 -35.825 26.285 1.00 44.42 ATOM 1372 O GLY 86 -0.990 -35.899 25.752 1.00 74.40 ATOM 1373 N CYS 87 1.191 -35.341 25.652 1.00 5.12 ATOM 1374 HN CYS 87 2.051 -35.300 26.128 1.00 37.26 ATOM 1375 CA CYS 87 1.120 -34.867 24.262 1.00 13.14 ATOM 1376 HA CYS 87 0.367 -34.091 24.218 1.00 41.15 ATOM 1377 CB CYS 87 2.464 -34.271 23.828 1.00 21.23 ATOM 1378 HB1 CYS 87 2.400 -33.970 22.791 1.00 37.26 ATOM 1379 HB2 CYS 87 3.235 -35.020 23.931 1.00 70.33 ATOM 1380 SG CYS 87 2.976 -32.825 24.786 1.00 62.04 ATOM 1381 HG CYS 87 4.187 -32.475 24.380 1.00 10.01 ATOM 1382 C CYS 87 0.715 -35.994 23.300 1.00 71.21 ATOM 1383 O CYS 87 0.004 -35.762 22.322 1.00 43.01 ATOM 1384 N GLY 88 1.172 -37.212 23.585 1.00 13.55 ATOM 1385 HN GLY 88 1.763 -37.328 24.359 1.00 37.26 ATOM 1386 CA GLY 88 0.825 -38.366 22.762 1.00 11.40 ATOM 1387 HA1 GLY 88 1.556 -39.142 22.933 1.00 37.26 ATOM 1388 HA2 GLY 88 0.869 -38.078 21.721 1.00 21.54 ATOM 1389 C GLY 88 -0.568 -38.933 23.054 1.00 11.35 ATOM 1390 O GLY 88 -1.131 -39.660 22.233 1.00 2.42 ATOM 1391 N ALA 89 -1.117 -38.622 24.227 1.00 51.12 ATOM 1392 HN ALA 89 -0.603 -38.081 24.863 1.00 37.26 ATOM 1393 CA ALA 89 -2.460 -39.087 24.607 1.00 13.53 ATOM 1394 HA ALA 89 -2.657 -40.008 24.074 1.00 71.34 ATOM 1395 CB ALA 89 -2.506 -39.395 26.101 1.00 31.44 ATOM 1396 HB1 ALA 89 -1.748 -40.126 26.343 1.00 0.45 ATOM 1397 HB2 ALA 89 -3.478 -39.787 26.362 1.00 71.30 ATOM 1398 HB3 ALA 89 -2.322 -38.490 26.661 1.00 24.11 ATOM 1399 C ALA 89 -3.547 -38.064 24.238 1.00 32.30 ATOM 1400 O ALA 89 -4.391 -38.321 23.378 1.00 32.22 ATOM 1401 N SER 90 -3.509 -36.901 24.890 1.00 2.51 ATOM 1402 HN SER 90 -2.769 -36.731 25.512 1.00 37.26 ATOM 1403 CA SER 90 -4.541 -35.865 24.704 1.00 75.30 ATOM 1404 HA SER 90 -5.502 -36.328 24.879 1.00 15.45 ATOM 1405 CB SER 90 -4.348 -34.730 25.721 1.00 22.24 ATOM 1406 HB1 SER 90 -3.379 -34.276 25.572 1.00 37.26 ATOM 1407 HB2 SER 90 -4.404 -35.131 26.722 1.00 60.20 ATOM 1408 OG SER 90 -5.346 -33.734 25.578 1.00 42.32 ATOM 1409 HG SER 90 -5.720 -33.528 26.443 1.00 20.10 ATOM 1410 C SER 90 -4.528 -35.288 23.281 1.00 21.04 ATOM 1411 O SER 90 -5.547 -35.286 22.587 1.00 4.43 ATOM 1412 N LEU 91 -3.369 -34.791 22.853 1.00 14.14 ATOM 1413 HN LEU 91 -2.599 -34.804 23.457 1.00 37.26 ATOM 1414 CA LEU 91 -3.212 -34.221 21.506 1.00 13.04 ATOM 1415 HA LEU 91 -4.156 -33.773 21.225 1.00 32.02 ATOM 1416 CB LEU 91 -2.135 -33.127 21.528 1.00 60.20 ATOM 1417 HB1 LEU 91 -1.839 -32.918 20.509 1.00 37.26 ATOM 1418 HB2 LEU 91 -1.274 -33.510 22.062 1.00 45.04 ATOM 1419 CG LEU 91 -2.568 -31.805 22.184 1.00 73.04 ATOM 1420 HG LEU 91 -3.085 -32.018 23.110 1.00 64.52 ATOM 1421 CD1 LEU 91 -1.358 -30.937 22.510 1.00 1.32 ATOM 1422 HD11 LEU 91 -0.820 -30.705 21.601 1.00 23.13 ATOM 1423 HD12 LEU 91 -0.705 -31.469 23.188 1.00 43.22 ATOM 1424 HD13 LEU 91 -1.687 -30.019 22.977 1.00 61.32 ATOM 1425 CD2 LEU 91 -3.531 -31.052 21.267 1.00 31.43 ATOM 1426 HD21 LEU 91 -3.038 -30.833 20.328 1.00 63.50 ATOM 1427 HD22 LEU 91 -3.834 -30.130 21.739 1.00 23.54 ATOM 1428 HD23 LEU 91 -4.403 -31.662 21.080 1.00 73.53 ATOM 1429 C LEU 91 -2.858 -35.300 20.471 1.00 51.11 ATOM 1430 O LEU 91 -3.226 -35.192 19.301 1.00 52.55 ATOM 1431 N ARG 92 -2.130 -36.327 20.915 1.00 62.25 ATOM 1432 HN ARG 92 -1.815 -36.314 21.842 1.00 37.26 ATOM 1433 CA ARG 92 -1.774 -37.471 20.063 1.00 35.24 ATOM 1434 HA ARG 92 -1.203 -38.161 20.668 1.00 34.44 ATOM 1435 CB ARG 92 -3.061 -38.169 19.589 1.00 2.42 ATOM 1436 HB1 ARG 92 -3.463 -37.621 18.747 1.00 37.26 ATOM 1437 HB2 ARG 92 -3.782 -38.143 20.393 1.00 52.13 ATOM 1438 CG ARG 92 -2.879 -39.625 19.166 1.00 61.50 ATOM 1439 HG1 ARG 92 -2.247 -40.125 19.886 1.00 37.26 ATOM 1440 HG2 ARG 92 -2.411 -39.654 18.191 1.00 63.41 ATOM 1441 CD ARG 92 -4.220 -40.345 19.096 1.00 51.22 ATOM 1442 HD1 ARG 92 -4.045 -41.388 18.870 1.00 37.26 ATOM 1443 HD2 ARG 92 -4.816 -39.902 18.309 1.00 31.00 ATOM 1444 NE ARG 92 -4.943 -40.249 20.368 1.00 14.44 ATOM 1445 HE ARG 92 -4.416 -40.300 21.190 1.00 42.44 ATOM 1446 CZ ARG 92 -6.233 -40.075 20.475 1.00 75.33 ATOM 1447 NH1 ARG 92 -6.982 -40.028 19.420 1.00 3.05 ATOM 1448 HH11 ARG 92 -6.576 -40.128 18.515 1.00 21.32 ATOM 1449 HH12 ARG 92 -7.965 -39.891 19.514 1.00 72.12 ATOM 1450 NH2 ARG 92 -6.773 -39.957 21.645 1.00 72.32 ATOM 1451 HH21 ARG 92 -6.203 -40.002 22.466 1.00 55.43 ATOM 1452 HH22 ARG 92 -7.758 -39.815 21.729 1.00 2.31 ATOM 1453 C ARG 92 -0.897 -37.025 18.877 1.00 13.35 ATOM 1454 O ARG 92 -1.031 -37.518 17.755 1.00 61.41 ATOM 1455 N LEU 93 0.030 -36.109 19.160 1.00 64.55 ATOM 1456 HN LEU 93 0.149 -35.840 20.095 1.00 37.26 ATOM 1457 CA LEU 93 0.878 -35.489 18.132 1.00 42.12 ATOM 1458 HA LEU 93 0.366 -35.581 17.185 1.00 13.44 ATOM 1459 CB LEU 93 1.038 -33.989 18.454 1.00 63.41 ATOM 1460 HB1 LEU 93 0.089 -33.505 18.263 1.00 37.26 ATOM 1461 HB2 LEU 93 1.768 -33.574 17.774 1.00 1.11 ATOM 1462 CG LEU 93 1.469 -33.639 19.900 1.00 34.30 ATOM 1463 HG LEU 93 0.898 -34.249 20.587 1.00 50.30 ATOM 1464 CD1 LEU 93 2.946 -33.934 20.144 1.00 1.13 ATOM 1465 HD11 LEU 93 3.206 -33.655 21.155 1.00 44.15 ATOM 1466 HD12 LEU 93 3.550 -33.368 19.448 1.00 3.35 ATOM 1467 HD13 LEU 93 3.131 -34.989 20.005 1.00 12.10 ATOM 1468 CD2 LEU 93 1.162 -32.180 20.216 1.00 44.52 ATOM 1469 HD21 LEU 93 1.461 -31.963 21.232 1.00 2.42 ATOM 1470 HD22 LEU 93 0.101 -32.004 20.110 1.00 21.34 ATOM 1471 HD23 LEU 93 1.703 -31.538 19.536 1.00 4.24 ATOM 1472 C LEU 93 2.257 -36.171 18.000 1.00 21.05 ATOM 1473 O LEU 93 2.503 -37.226 18.590 1.00 63.55 ATOM 1474 N GLU 94 3.144 -35.556 17.206 1.00 11.41 ATOM 1475 HN GLU 94 2.858 -34.758 16.715 1.00 37.26 ATOM 1476 CA GLU 94 4.520 -36.049 17.015 1.00 11.02 ATOM 1477 HA GLU 94 4.463 -36.985 16.477 1.00 10.24 ATOM 1478 CB GLU 94 5.341 -35.048 16.183 1.00 71.04 ATOM 1479 HB1 GLU 94 6.342 -35.439 16.063 1.00 37.26 ATOM 1480 HB2 GLU 94 5.396 -34.114 16.724 1.00 1.11 ATOM 1481 CG GLU 94 4.778 -34.756 14.797 1.00 13.34 ATOM 1482 HG1 GLU 94 5.462 -34.096 14.280 1.00 37.26 ATOM 1483 HG2 GLU 94 3.823 -34.260 14.908 1.00 12.12 ATOM 1484 CD GLU 94 4.586 -36.007 13.956 1.00 52.12 ATOM 1485 OE1 GLU 94 3.476 -36.196 13.410 1.00 44.21 ATOM 1486 OE2 GLU 94 5.541 -36.809 13.846 1.00 74.31 ATOM 1487 C GLU 94 5.245 -36.285 18.352 1.00 63.24 ATOM 1488 O GLU 94 5.528 -35.344 19.091 1.00 13.11 ATOM 1489 N THR 95 5.550 -37.542 18.654 1.00 62.42 ATOM 1490 HN THR 95 5.256 -38.259 18.055 1.00 37.26 ATOM 1491 CA THR 95 6.306 -37.888 19.865 1.00 63.12 ATOM 1492 HA THR 95 6.318 -37.019 20.512 1.00 71.02 ATOM 1493 CB THR 95 5.638 -39.052 20.637 1.00 73.22 ATOM 1494 HB THR 95 6.296 -39.355 21.443 1.00 71.53 ATOM 1495 OG1 THR 95 5.431 -40.174 19.761 1.00 15.50 ATOM 1496 HG1 THR 95 6.073 -40.866 19.970 1.00 34.41 ATOM 1497 CG2 THR 95 4.304 -38.618 21.237 1.00 34.41 ATOM 1498 HG21 THR 95 4.466 -37.810 21.937 1.00 65.51 ATOM 1499 HG22 THR 95 3.851 -39.453 21.751 1.00 63.21 ATOM 1500 HG23 THR 95 3.647 -38.283 20.448 1.00 60.20 ATOM 1501 C THR 95 7.756 -38.269 19.538 1.00 73.21 ATOM 1502 O THR 95 8.116 -38.461 18.376 1.00 13.41 ATOM 1503 N PHE 96 8.584 -38.368 20.575 1.00 64.41 ATOM 1504 HN PHE 96 8.234 -38.200 21.475 1.00 37.26 ATOM 1505 CA PHE 96 10.000 -38.725 20.425 1.00 12.14 ATOM 1506 HA PHE 96 10.105 -39.283 19.504 1.00 24.24 ATOM 1507 CB PHE 96 10.870 -37.456 20.341 1.00 31.31 ATOM 1508 HB1 PHE 96 10.591 -36.898 19.457 1.00 37.26 ATOM 1509 HB2 PHE 96 11.907 -37.746 20.256 1.00 21.31 ATOM 1510 CG PHE 96 10.748 -36.530 21.531 1.00 40.44 ATOM 1511 CD1 PHE 96 9.752 -35.563 21.578 1.00 43.44 ATOM 1512 HD1 PHE 96 9.056 -35.478 20.757 1.00 2.32 ATOM 1513 CD2 PHE 96 11.632 -36.622 22.597 1.00 75.11 ATOM 1514 HD2 PHE 96 12.412 -37.367 22.576 1.00 14.21 ATOM 1515 CE1 PHE 96 9.642 -34.710 22.662 1.00 74.51 ATOM 1516 HE1 PHE 96 8.862 -33.962 22.685 1.00 5.45 ATOM 1517 CE2 PHE 96 11.525 -35.772 23.683 1.00 0.55 ATOM 1518 HE2 PHE 96 12.220 -35.858 24.508 1.00 4.33 ATOM 1519 CZ PHE 96 10.528 -34.817 23.717 1.00 70.34 ATOM 1520 HZ PHE 96 10.443 -34.151 24.566 1.00 3.53 ATOM 1521 C PHE 96 10.459 -39.617 21.586 1.00 24.33 ATOM 1522 O PHE 96 9.667 -39.957 22.464 1.00 51.50 ATOM 1523 N ASP 97 11.726 -40.019 21.578 1.00 61.14 ATOM 1524 HN ASP 97 12.305 -39.782 20.815 1.00 37.26 ATOM 1525 CA ASP 97 12.284 -40.815 22.680 1.00 5.45 ATOM 1526 HA ASP 97 11.461 -41.319 23.171 1.00 50.15 ATOM 1527 CB ASP 97 13.249 -41.872 22.133 1.00 52.52 ATOM 1528 HB1 ASP 97 14.041 -41.380 21.584 1.00 37.26 ATOM 1529 HB2 ASP 97 12.710 -42.527 21.463 1.00 54.40 ATOM 1530 CG ASP 97 13.869 -42.715 23.233 1.00 63.14 ATOM 1531 OD1 ASP 97 13.187 -43.620 23.759 1.00 12.54 ATOM 1532 OD2 ASP 97 15.039 -42.476 23.589 1.00 21.02 ATOM 1533 C ASP 97 12.990 -39.917 23.716 1.00 65.12 ATOM 1534 O ASP 97 13.614 -38.916 23.367 1.00 53.35 ATOM 1535 N ALA 98 12.895 -40.294 24.991 1.00 42.23 ATOM 1536 HN ALA 98 12.439 -41.135 25.200 1.00 37.26 ATOM 1537 CA ALA 98 13.453 -39.489 26.088 1.00 2.14 ATOM 1538 HA ALA 98 12.940 -38.537 26.085 1.00 74.42 ATOM 1539 CB ALA 98 13.178 -40.161 27.430 1.00 13.02 ATOM 1540 HB1 ALA 98 13.527 -39.523 28.231 1.00 25.51 ATOM 1541 HB2 ALA 98 13.695 -41.108 27.474 1.00 33.44 ATOM 1542 HB3 ALA 98 12.115 -40.326 27.541 1.00 65.42 ATOM 1543 C ALA 98 14.962 -39.231 25.922 1.00 23.32 ATOM 1544 O ALA 98 15.460 -38.157 26.269 1.00 75.34 ATOM 1545 N ASN 99 15.686 -40.210 25.382 1.00 45.03 ATOM 1546 HN ASN 99 15.239 -41.040 25.102 1.00 37.26 ATOM 1547 CA ASN 99 17.135 -40.078 25.187 1.00 21.10 ATOM 1548 HA ASN 99 17.549 -39.656 26.093 1.00 24.42 ATOM 1549 CB ASN 99 17.770 -41.449 24.950 1.00 64.31 ATOM 1550 HB1 ASN 99 18.835 -41.329 24.801 1.00 37.26 ATOM 1551 HB2 ASN 99 17.334 -41.895 24.067 1.00 23.22 ATOM 1552 CG ASN 99 17.551 -42.388 26.120 1.00 35.04 ATOM 1553 OD1 ASN 99 16.580 -43.137 26.161 1.00 34.10 ATOM 1554 ND2 ASN 99 18.441 -42.348 27.092 1.00 0.10 ATOM 1555 HD21 ASN 99 19.191 -41.721 27.013 1.00 5.01 ATOM 1556 HD22 ASN 99 18.319 -42.948 27.855 1.00 11.00 ATOM 1557 C ASN 99 17.463 -39.136 24.022 1.00 35.13 ATOM 1558 O ASN 99 18.525 -38.504 24.006 1.00 31.20 ATOM 1559 N ASP 100 16.549 -39.040 23.052 1.00 2.45 ATOM 1560 HN ASP 100 15.749 -39.608 23.092 1.00 37.26 ATOM 1561 CA ASP 100 16.709 -38.116 21.923 1.00 75.45 ATOM 1562 HA ASP 100 17.561 -38.448 21.345 1.00 11.53 ATOM 1563 CB ASP 100 15.462 -38.123 21.022 1.00 24.22 ATOM 1564 HB1 ASP 100 15.574 -37.365 20.259 1.00 37.26 ATOM 1565 HB2 ASP 100 14.594 -37.891 21.622 1.00 62.45 ATOM 1566 CG ASP 100 15.220 -39.457 20.333 1.00 62.41 ATOM 1567 OD1 ASP 100 16.143 -40.297 20.289 1.00 31.43 ATOM 1568 OD2 ASP 100 14.105 -39.659 19.805 1.00 74.14 ATOM 1569 C ASP 100 16.978 -36.688 22.417 1.00 50.20 ATOM 1570 O ASP 100 17.781 -35.961 21.837 1.00 13.22 ATOM 1571 N LEU 101 16.295 -36.301 23.492 1.00 14.02 ATOM 1572 HN LEU 101 15.639 -36.916 23.880 1.00 37.26 ATOM 1573 CA LEU 101 16.488 -34.984 24.107 1.00 52.05 ATOM 1574 HA LEU 101 16.784 -34.293 23.330 1.00 62.31 ATOM 1575 CB LEU 101 15.176 -34.492 24.729 1.00 12.21 ATOM 1576 HB1 LEU 101 14.827 -35.244 25.423 1.00 37.26 ATOM 1577 HB2 LEU 101 14.443 -34.390 23.940 1.00 13.42 ATOM 1578 CG LEU 101 15.272 -33.152 25.481 1.00 63.44 ATOM 1579 HG LEU 101 15.983 -33.255 26.289 1.00 45.11 ATOM 1580 CD1 LEU 101 15.776 -32.042 24.559 1.00 5.53 ATOM 1581 HD11 LEU 101 16.766 -32.291 24.205 1.00 31.33 ATOM 1582 HD12 LEU 101 15.815 -31.110 25.104 1.00 72.23 ATOM 1583 HD13 LEU 101 15.108 -31.939 23.716 1.00 13.30 ATOM 1584 CD2 LEU 101 13.925 -32.782 26.089 1.00 15.04 ATOM 1585 HD21 LEU 101 14.015 -31.848 26.625 1.00 35.45 ATOM 1586 HD22 LEU 101 13.611 -33.558 26.773 1.00 23.51 ATOM 1587 HD23 LEU 101 13.188 -32.677 25.304 1.00 51.51 ATOM 1588 C LEU 101 17.580 -35.016 25.186 1.00 42.14 ATOM 1589 O LEU 101 18.514 -34.212 25.158 1.00 24.30 ATOM 1590 N TYR 102 17.460 -35.956 26.124 1.00 61.25 ATOM 1591 HN TYR 102 16.744 -36.621 26.039 1.00 37.26 ATOM 1592 CA TYR 102 18.359 -36.023 27.283 1.00 0.45 ATOM 1593 HA TYR 102 18.233 -35.107 27.842 1.00 24.31 ATOM 1594 CB TYR 102 17.971 -37.203 28.187 1.00 50.23 ATOM 1595 HB1 TYR 102 18.195 -38.130 27.676 1.00 37.26 ATOM 1596 HB2 TYR 102 16.909 -37.159 28.390 1.00 31.42 ATOM 1597 CG TYR 102 18.699 -37.210 29.517 1.00 3.53 ATOM 1598 CD1 TYR 102 18.289 -36.382 30.554 1.00 64.14 ATOM 1599 HD1 TYR 102 17.436 -35.737 30.404 1.00 72.02 ATOM 1600 CD2 TYR 102 19.801 -38.029 29.732 1.00 42.12 ATOM 1601 HD2 TYR 102 20.134 -38.681 28.937 1.00 30.32 ATOM 1602 CE1 TYR 102 18.955 -36.367 31.763 1.00 21.42 ATOM 1603 HE1 TYR 102 18.621 -35.713 32.557 1.00 34.34 ATOM 1604 CE2 TYR 102 20.469 -38.023 30.939 1.00 54.21 ATOM 1605 HE2 TYR 102 21.325 -38.668 31.086 1.00 23.32 ATOM 1606 CZ TYR 102 20.043 -37.188 31.950 1.00 41.04 ATOM 1607 OH TYR 102 20.712 -37.170 33.153 1.00 71.33 ATOM 1608 HH TYR 102 21.664 -37.237 32.990 1.00 14.43 ATOM 1609 C TYR 102 19.837 -36.136 26.863 1.00 33.52 ATOM 1610 O TYR 102 20.727 -35.617 27.536 1.00 74.12 ATOM 1611 N GLN 103 20.096 -36.832 25.760 1.00 20.55 ATOM 1612 HN GLN 103 19.354 -37.270 25.289 1.00 37.26 ATOM 1613 CA GLN 103 21.461 -36.973 25.233 1.00 74.14 ATOM 1614 HA GLN 103 22.147 -36.592 25.978 1.00 2.25 ATOM 1615 CB GLN 103 21.774 -38.456 24.990 1.00 12.33 ATOM 1616 HB1 GLN 103 22.759 -38.540 24.551 1.00 37.26 ATOM 1617 HB2 GLN 103 21.047 -38.857 24.296 1.00 45.33 ATOM 1618 CG GLN 103 21.741 -39.304 26.257 1.00 35.42 ATOM 1619 HG1 GLN 103 21.875 -40.342 25.984 1.00 37.26 ATOM 1620 HG2 GLN 103 20.779 -39.182 26.735 1.00 74.52 ATOM 1621 CD GLN 103 22.829 -38.918 27.248 1.00 24.43 ATOM 1622 OE1 GLN 103 23.924 -39.463 27.226 1.00 73.12 ATOM 1623 NE2 GLN 103 22.543 -37.964 28.112 1.00 44.44 ATOM 1624 HE21 GLN 103 21.658 -37.554 28.073 1.00 35.43 ATOM 1625 HE22 GLN 103 23.234 -37.709 28.759 1.00 53.11 ATOM 1626 C GLN 103 21.656 -36.173 23.935 1.00 42.44 ATOM 1627 O GLN 103 22.775 -36.035 23.436 1.00 22.35 ATOM 1628 N GLY 104 20.564 -35.634 23.401 1.00 4.22 ATOM 1629 HN GLY 104 19.713 -35.703 23.883 1.00 37.26 ATOM 1630 CA GLY 104 20.621 -34.923 22.129 1.00 63.02 ATOM 1631 HA1 GLY 104 21.448 -34.227 22.153 1.00 37.26 ATOM 1632 HA2 GLY 104 19.703 -34.366 22.003 1.00 70.52 ATOM 1633 C GLY 104 20.795 -35.857 20.934 1.00 23.32 ATOM 1634 O GLY 104 21.213 -35.427 19.860 1.00 32.25 ATOM 1635 N GLN 105 20.458 -37.135 21.123 1.00 2.32 ATOM 1636 HN GLN 105 20.109 -37.406 21.997 1.00 37.26 ATOM 1637 CA GLN 105 20.591 -38.149 20.065 1.00 45.24 ATOM 1638 HA GLN 105 21.639 -38.221 19.808 1.00 2.42 ATOM 1639 CB GLN 105 20.112 -39.513 20.581 1.00 23.35 ATOM 1640 HB1 GLN 105 20.213 -40.242 19.789 1.00 37.26 ATOM 1641 HB2 GLN 105 19.069 -39.436 20.854 1.00 63.34 ATOM 1642 CG GLN 105 20.883 -40.016 21.795 1.00 44.01 ATOM 1643 HG1 GLN 105 20.436 -40.940 22.133 1.00 37.26 ATOM 1644 HG2 GLN 105 20.811 -39.278 22.580 1.00 31.04 ATOM 1645 CD GLN 105 22.353 -40.265 21.500 1.00 71.12 ATOM 1646 OE1 GLN 105 23.187 -39.375 21.632 1.00 1.02 ATOM 1647 NE2 GLN 105 22.687 -41.476 21.103 1.00 15.21 ATOM 1648 HE21 GLN 105 21.978 -42.149 21.018 1.00 71.51 ATOM 1649 HE22 GLN 105 23.630 -41.653 20.913 1.00 12.41 ATOM 1650 C GLN 105 19.801 -37.761 18.808 1.00 43.03 ATOM 1651 O GLN 105 20.255 -37.982 17.685 1.00 2.54 ATOM 1652 N ASN 106 18.617 -37.184 19.014 1.00 51.33 ATOM 1653 HN ASN 106 18.308 -37.065 19.936 1.00 37.26 ATOM 1654 CA ASN 106 17.762 -36.715 17.917 1.00 51.32 ATOM 1655 HA ASN 106 18.392 -36.506 17.063 1.00 54.51 ATOM 1656 CB ASN 106 16.724 -37.781 17.529 1.00 60.54 ATOM 1657 HB1 ASN 106 16.007 -37.338 16.851 1.00 37.26 ATOM 1658 HB2 ASN 106 16.206 -38.106 18.419 1.00 75.21 ATOM 1659 CG ASN 106 17.312 -39.006 16.856 1.00 4.02 ATOM 1660 OD1 ASN 106 18.299 -38.926 16.131 1.00 13.43 ATOM 1661 ND2 ASN 106 16.702 -40.151 17.084 1.00 12.31 ATOM 1662 HD21 ASN 106 15.919 -40.149 17.675 1.00 52.21 ATOM 1663 HD22 ASN 106 17.042 -40.951 16.637 1.00 33.13 ATOM 1664 C ASN 106 17.024 -35.428 18.315 1.00 72.42 ATOM 1665 O ASN 106 15.856 -35.472 18.710 1.00 43.21 ATOM 1666 N PHE 107 17.692 -34.280 18.229 1.00 73.24 ATOM 1667 HN PHE 107 18.624 -34.282 17.923 1.00 37.26 ATOM 1668 CA PHE 107 17.050 -33.018 18.605 1.00 21.51 ATOM 1669 HA PHE 107 16.622 -33.160 19.589 1.00 50.14 ATOM 1670 CB PHE 107 18.058 -31.865 18.676 1.00 43.31 ATOM 1671 HB1 PHE 107 18.473 -31.692 17.692 1.00 37.26 ATOM 1672 HB2 PHE 107 18.857 -32.131 19.356 1.00 71.45 ATOM 1673 CG PHE 107 17.434 -30.576 19.162 1.00 72.12 ATOM 1674 CD1 PHE 107 17.187 -30.378 20.515 1.00 34.31 ATOM 1675 HD1 PHE 107 17.458 -31.150 21.222 1.00 62.50 ATOM 1676 CD2 PHE 107 17.080 -29.571 18.269 1.00 74.23 ATOM 1677 HD2 PHE 107 17.266 -29.710 17.213 1.00 53.42 ATOM 1678 CE1 PHE 107 16.602 -29.210 20.965 1.00 32.11 ATOM 1679 HE1 PHE 107 16.415 -29.071 22.020 1.00 63.15 ATOM 1680 CE2 PHE 107 16.496 -28.401 18.717 1.00 71.24 ATOM 1681 HE2 PHE 107 16.226 -27.628 18.012 1.00 73.10 ATOM 1682 CZ PHE 107 16.256 -28.221 20.066 1.00 41.14 ATOM 1683 HZ PHE 107 15.797 -27.307 20.418 1.00 62.04 ATOM 1684 C PHE 107 15.912 -32.664 17.638 1.00 64.13 ATOM 1685 O PHE 107 14.881 -32.147 18.056 1.00 33.02 ATOM 1686 N ASN 108 16.104 -32.942 16.346 1.00 51.15 ATOM 1687 HN ASN 108 16.976 -33.291 16.058 1.00 37.26 ATOM 1688 CA ASN 108 15.057 -32.708 15.341 1.00 12.12 ATOM 1689 HA ASN 108 14.891 -31.640 15.291 1.00 1.02 ATOM 1690 CB ASN 108 15.517 -33.196 13.959 1.00 12.02 ATOM 1691 HB1 ASN 108 16.380 -32.623 13.650 1.00 37.26 ATOM 1692 HB2 ASN 108 14.718 -33.042 13.246 1.00 75.31 ATOM 1693 CG ASN 108 15.887 -34.667 13.949 1.00 22.31 ATOM 1694 OD1 ASN 108 15.044 -35.529 13.732 1.00 20.02 ATOM 1695 ND2 ASN 108 17.147 -34.967 14.176 1.00 14.32 ATOM 1696 HD21 ASN 108 17.778 -34.235 14.337 1.00 71.40 ATOM 1697 HD22 ASN 108 17.402 -35.915 14.162 1.00 31.43 ATOM 1698 C ASN 108 13.732 -33.386 15.739 1.00 12.25 ATOM 1699 O ASN 108 12.658 -32.824 15.541 1.00 60.25 ATOM 1700 N LYS 109 13.822 -34.590 16.309 1.00 63.23 ATOM 1701 HN LYS 109 14.698 -35.023 16.361 1.00 37.26 ATOM 1702 CA LYS 109 12.647 -35.291 16.854 1.00 63.33 ATOM 1703 HA LYS 109 11.962 -35.478 16.038 1.00 32.15 ATOM 1704 CB LYS 109 13.073 -36.631 17.473 1.00 21.14 ATOM 1705 HB1 LYS 109 12.256 -37.014 18.069 1.00 37.26 ATOM 1706 HB2 LYS 109 13.922 -36.458 18.119 1.00 41.50 ATOM 1707 CG LYS 109 13.462 -37.697 16.454 1.00 64.10 ATOM 1708 HG1 LYS 109 14.025 -38.471 16.958 1.00 37.26 ATOM 1709 HG2 LYS 109 14.079 -37.243 15.692 1.00 20.50 ATOM 1710 CD LYS 109 12.243 -38.327 15.785 1.00 63.41 ATOM 1711 HD1 LYS 109 12.579 -39.044 15.050 1.00 37.26 ATOM 1712 HD2 LYS 109 11.667 -37.554 15.298 1.00 63.55 ATOM 1713 CE LYS 109 11.354 -39.041 16.798 1.00 15.41 ATOM 1714 HE1 LYS 109 10.962 -38.311 17.492 1.00 37.26 ATOM 1715 HE2 LYS 109 11.950 -39.764 17.337 1.00 43.34 ATOM 1716 NZ LYS 109 10.220 -39.748 16.150 1.00 65.33 ATOM 1717 HZ1 LYS 109 9.635 -39.075 15.613 1.00 20.21 ATOM 1718 HZ2 LYS 109 9.628 -40.209 16.869 1.00 2.42 ATOM 1719 HZ3 LYS 109 10.578 -40.476 15.497 1.00 12.34 ATOM 1720 C LYS 109 11.936 -34.439 17.916 1.00 72.41 ATOM 1721 O LYS 109 10.716 -34.255 17.876 1.00 12.13 ATOM 1722 N VAL 110 12.716 -33.922 18.861 1.00 52.43 ATOM 1723 HN VAL 110 13.680 -34.098 18.825 1.00 37.26 ATOM 1724 CA VAL 110 12.187 -33.093 19.947 1.00 21.00 ATOM 1725 HA VAL 110 11.409 -33.651 20.450 1.00 52.22 ATOM 1726 CB VAL 110 13.294 -32.758 20.976 1.00 61.04 ATOM 1727 HB VAL 110 14.014 -32.106 20.496 1.00 32.45 ATOM 1728 CG1 VAL 110 12.717 -32.015 22.182 1.00 54.42 ATOM 1729 HG11 VAL 110 13.503 -31.812 22.893 1.00 31.51 ATOM 1730 HG12 VAL 110 11.956 -32.622 22.651 1.00 13.43 ATOM 1731 HG13 VAL 110 12.280 -31.081 21.856 1.00 53.11 ATOM 1732 CG2 VAL 110 14.025 -34.029 21.407 1.00 41.41 ATOM 1733 HG21 VAL 110 14.818 -33.775 22.095 1.00 2.32 ATOM 1734 HG22 VAL 110 14.446 -34.516 20.539 1.00 33.04 ATOM 1735 HG23 VAL 110 13.330 -34.701 21.893 1.00 64.23 ATOM 1736 C VAL 110 11.597 -31.785 19.404 1.00 45.52 ATOM 1737 O VAL 110 10.468 -31.415 19.725 1.00 40.23 ATOM 1738 N LEU 111 12.373 -31.102 18.568 1.00 15.12 ATOM 1739 HN LEU 111 13.253 -31.462 18.347 1.00 37.26 ATOM 1740 CA LEU 111 11.963 -29.830 17.978 1.00 50.34 ATOM 1741 HA LEU 111 11.775 -29.140 18.791 1.00 10.34 ATOM 1742 CB LEU 111 13.098 -29.268 17.109 1.00 15.21 ATOM 1743 HB1 LEU 111 13.209 -29.904 16.241 1.00 37.26 ATOM 1744 HB2 LEU 111 14.015 -29.312 17.681 1.00 43.11 ATOM 1745 CG LEU 111 12.903 -27.824 16.622 1.00 1.40 ATOM 1746 HG LEU 111 12.008 -27.770 16.022 1.00 22.42 ATOM 1747 CD1 LEU 111 12.726 -26.873 17.805 1.00 33.40 ATOM 1748 HD11 LEU 111 12.590 -25.865 17.440 1.00 72.32 ATOM 1749 HD12 LEU 111 13.603 -26.910 18.435 1.00 25.05 ATOM 1750 HD13 LEU 111 11.859 -27.166 18.379 1.00 13.42 ATOM 1751 CD2 LEU 111 14.080 -27.391 15.749 1.00 51.10 ATOM 1752 HD21 LEU 111 14.141 -28.032 14.882 1.00 71.32 ATOM 1753 HD22 LEU 111 14.998 -27.465 16.315 1.00 52.21 ATOM 1754 HD23 LEU 111 13.937 -26.369 15.431 1.00 44.40 ATOM 1755 C LEU 111 10.673 -29.982 17.154 1.00 33.30 ATOM 1756 O LEU 111 9.746 -29.188 17.295 1.00 14.11 ATOM 1757 N SER 112 10.616 -31.007 16.301 1.00 33.30 ATOM 1758 HN SER 112 11.406 -31.579 16.188 1.00 37.26 ATOM 1759 CA SER 112 9.401 -31.298 15.518 1.00 60.03 ATOM 1760 HA SER 112 9.224 -30.455 14.865 1.00 72.43 ATOM 1761 CB SER 112 9.588 -32.560 14.658 1.00 71.24 ATOM 1762 HB1 SER 112 8.647 -32.822 14.198 1.00 37.26 ATOM 1763 HB2 SER 112 9.920 -33.376 15.285 1.00 1.44 ATOM 1764 OG SER 112 10.552 -32.356 13.634 1.00 2.40 ATOM 1765 HG SER 112 10.125 -31.942 12.872 1.00 30.13 ATOM 1766 C SER 112 8.178 -31.473 16.430 1.00 42.22 ATOM 1767 O SER 112 7.073 -31.035 16.096 1.00 65.12 ATOM 1768 N SER 113 8.385 -32.115 17.581 1.00 34.05 ATOM 1769 HN SER 113 9.278 -32.480 17.767 1.00 37.26 ATOM 1770 CA SER 113 7.318 -32.291 18.579 1.00 73.22 ATOM 1771 HA SER 113 6.469 -32.735 18.078 1.00 31.52 ATOM 1772 CB SER 113 7.775 -33.230 19.705 1.00 42.42 ATOM 1773 HB1 SER 113 8.655 -32.820 20.181 1.00 37.26 ATOM 1774 HB2 SER 113 8.013 -34.199 19.289 1.00 12.43 ATOM 1775 OG SER 113 6.761 -33.393 20.683 1.00 25.30 ATOM 1776 HG SER 113 6.166 -34.102 20.414 1.00 43.02 ATOM 1777 C SER 113 6.887 -30.943 19.176 1.00 72.50 ATOM 1778 O SER 113 5.701 -30.611 19.187 1.00 40.13 ATOM 1779 N LEU 114 7.862 -30.165 19.653 1.00 11.11 ATOM 1780 HN LEU 114 8.786 -30.494 19.626 1.00 37.26 ATOM 1781 CA LEU 114 7.597 -28.837 20.223 1.00 4.04 ATOM 1782 HA LEU 114 6.977 -28.971 21.099 1.00 35.13 ATOM 1783 CB LEU 114 8.916 -28.173 20.646 1.00 74.41 ATOM 1784 HB1 LEU 114 8.692 -27.186 21.029 1.00 37.26 ATOM 1785 HB2 LEU 114 9.535 -28.064 19.765 1.00 14.52 ATOM 1786 CG LEU 114 9.727 -28.932 21.713 1.00 43.31 ATOM 1787 HG LEU 114 9.945 -29.925 21.347 1.00 72.43 ATOM 1788 CD1 LEU 114 11.059 -28.234 21.982 1.00 32.20 ATOM 1789 HD11 LEU 114 10.878 -27.235 22.349 1.00 14.45 ATOM 1790 HD12 LEU 114 11.632 -28.182 21.066 1.00 62.25 ATOM 1791 HD13 LEU 114 11.617 -28.793 22.721 1.00 12.41 ATOM 1792 CD2 LEU 114 8.922 -29.074 23.005 1.00 12.45 ATOM 1793 HD21 LEU 114 8.024 -29.641 22.808 1.00 42.31 ATOM 1794 HD22 LEU 114 8.654 -28.094 23.376 1.00 21.23 ATOM 1795 HD23 LEU 114 9.516 -29.589 23.745 1.00 50.41 ATOM 1796 C LEU 114 6.854 -27.932 19.225 1.00 31.03 ATOM 1797 O LEU 114 5.867 -27.282 19.572 1.00 40.35 ATOM 1798 N VAL 115 7.335 -27.902 17.983 1.00 3.35 ATOM 1799 HN VAL 115 8.148 -28.406 17.778 1.00 37.26 ATOM 1800 CA VAL 115 6.686 -27.129 16.917 1.00 64.34 ATOM 1801 HA VAL 115 6.663 -26.093 17.230 1.00 71.14 ATOM 1802 CB VAL 115 7.476 -27.216 15.587 1.00 61.43 ATOM 1803 HB VAL 115 7.540 -28.258 15.300 1.00 12.32 ATOM 1804 CG1 VAL 115 6.760 -26.458 14.468 1.00 64.34 ATOM 1805 HG11 VAL 115 7.348 -26.509 13.562 1.00 14.32 ATOM 1806 HG12 VAL 115 6.632 -25.423 14.754 1.00 35.31 ATOM 1807 HG13 VAL 115 5.791 -26.904 14.291 1.00 1.11 ATOM 1808 CG2 VAL 115 8.895 -26.689 15.773 1.00 3.14 ATOM 1809 HG21 VAL 115 9.394 -27.260 16.543 1.00 12.13 ATOM 1810 HG22 VAL 115 8.861 -25.649 16.063 1.00 13.32 ATOM 1811 HG23 VAL 115 9.441 -26.786 14.845 1.00 44.41 ATOM 1812 C VAL 115 5.247 -27.607 16.682 1.00 30.33 ATOM 1813 O VAL 115 4.335 -26.798 16.533 1.00 13.53 ATOM 1814 N THR 116 5.044 -28.926 16.658 1.00 73.25 ATOM 1815 HN THR 116 5.815 -29.530 16.738 1.00 37.26 ATOM 1816 CA THR 116 3.693 -29.490 16.513 1.00 2.43 ATOM 1817 HA THR 116 3.268 -29.094 15.598 1.00 20.04 ATOM 1818 CB THR 116 3.706 -31.036 16.413 1.00 1.41 ATOM 1819 HB THR 116 4.145 -31.437 17.317 1.00 10.44 ATOM 1820 OG1 THR 116 4.498 -31.452 15.289 1.00 54.23 ATOM 1821 HG1 THR 116 5.295 -31.897 15.608 1.00 52.02 ATOM 1822 CG2 THR 116 2.287 -31.592 16.272 1.00 1.10 ATOM 1823 HG21 THR 116 1.700 -31.318 17.140 1.00 23.41 ATOM 1824 HG22 THR 116 2.328 -32.669 16.194 1.00 62.44 ATOM 1825 HG23 THR 116 1.825 -31.185 15.384 1.00 41.54 ATOM 1826 C THR 116 2.802 -29.080 17.688 1.00 30.55 ATOM 1827 O THR 116 1.625 -28.768 17.510 1.00 61.31 ATOM 1828 N LEU 117 3.379 -29.077 18.888 1.00 1.04 ATOM 1829 HN LEU 117 4.307 -29.384 18.970 1.00 37.26 ATOM 1830 CA LEU 117 2.671 -28.629 20.089 1.00 63.12 ATOM 1831 HA LEU 117 1.780 -29.234 20.193 1.00 71.32 ATOM 1832 CB LEU 117 3.560 -28.827 21.327 1.00 52.32 ATOM 1833 HB1 LEU 117 4.450 -28.225 21.202 1.00 37.26 ATOM 1834 HB2 LEU 117 3.857 -29.866 21.364 1.00 44.10 ATOM 1835 CG LEU 117 2.920 -28.463 22.678 1.00 60.01 ATOM 1836 HG LEU 117 2.631 -27.421 22.661 1.00 31.03 ATOM 1837 CD1 LEU 117 1.665 -29.293 22.930 1.00 71.31 ATOM 1838 HD11 LEU 117 1.921 -30.343 22.936 1.00 30.22 ATOM 1839 HD12 LEU 117 0.943 -29.103 22.149 1.00 35.24 ATOM 1840 HD13 LEU 117 1.238 -29.022 23.886 1.00 64.04 ATOM 1841 CD2 LEU 117 3.926 -28.653 23.810 1.00 14.52 ATOM 1842 HD21 LEU 117 4.803 -28.052 23.618 1.00 40.53 ATOM 1843 HD22 LEU 117 4.211 -29.694 23.872 1.00 12.43 ATOM 1844 HD23 LEU 117 3.479 -28.347 24.746 1.00 0.53 ATOM 1845 C LEU 117 2.257 -27.155 19.951 1.00 33.13 ATOM 1846 O LEU 117 1.152 -26.771 20.330 1.00 64.12 ATOM 1847 N ASN 118 3.151 -26.342 19.392 1.00 34.13 ATOM 1848 HN ASN 118 4.045 -26.690 19.185 1.00 37.26 ATOM 1849 CA ASN 118 2.849 -24.938 19.086 1.00 1.34 ATOM 1850 HA ASN 118 2.511 -24.466 20.000 1.00 63.21 ATOM 1851 CB ASN 118 4.122 -24.228 18.598 1.00 50.32 ATOM 1852 HB1 ASN 118 4.519 -24.763 17.746 1.00 37.26 ATOM 1853 HB2 ASN 118 4.855 -24.237 19.392 1.00 14.23 ATOM 1854 CG ASN 118 3.880 -22.784 18.189 1.00 60.31 ATOM 1855 OD1 ASN 118 3.593 -22.490 17.035 1.00 31.44 ATOM 1856 ND2 ASN 118 4.006 -21.870 19.130 1.00 45.34 ATOM 1857 HD21 ASN 118 4.248 -22.162 20.031 1.00 44.05 ATOM 1858 HD22 ASN 118 3.851 -20.936 18.882 1.00 50.03 ATOM 1859 C ASN 118 1.732 -24.831 18.029 1.00 11.22 ATOM 1860 O ASN 118 0.783 -24.073 18.198 1.00 32.23 ATOM 1861 N LYS 119 1.855 -25.610 16.953 1.00 55.31 ATOM 1862 HN LYS 119 2.641 -26.186 16.880 1.00 37.26 ATOM 1863 CA LYS 119 0.859 -25.630 15.870 1.00 72.20 ATOM 1864 HA LYS 119 0.840 -24.646 15.421 1.00 23.23 ATOM 1865 CB LYS 119 1.271 -26.656 14.801 1.00 52.20 ATOM 1866 HB1 LYS 119 0.466 -26.757 14.085 1.00 37.26 ATOM 1867 HB2 LYS 119 1.431 -27.610 15.282 1.00 73.33 ATOM 1868 CG LYS 119 2.542 -26.287 14.041 1.00 3.33 ATOM 1869 HG1 LYS 119 3.299 -25.985 14.752 1.00 37.26 ATOM 1870 HG2 LYS 119 2.325 -25.462 13.378 1.00 23.30 ATOM 1871 CD LYS 119 3.079 -27.456 13.212 1.00 13.10 ATOM 1872 HD1 LYS 119 3.351 -28.261 13.882 1.00 37.26 ATOM 1873 HD2 LYS 119 3.957 -27.127 12.675 1.00 64.14 ATOM 1874 CE LYS 119 2.056 -27.975 12.204 1.00 62.54 ATOM 1875 HE1 LYS 119 1.799 -27.175 11.525 1.00 37.26 ATOM 1876 HE2 LYS 119 1.171 -28.294 12.735 1.00 5.25 ATOM 1877 NZ LYS 119 2.586 -29.122 11.418 1.00 63.12 ATOM 1878 HZ1 LYS 119 1.868 -29.459 10.746 1.00 42.21 ATOM 1879 HZ2 LYS 119 2.844 -29.906 12.049 1.00 40.23 ATOM 1880 HZ3 LYS 119 3.432 -28.831 10.884 1.00 10.44 ATOM 1881 C LYS 119 -0.551 -25.963 16.389 1.00 32.42 ATOM 1882 O LYS 119 -1.493 -25.192 16.199 1.00 54.21 ATOM 1883 N VAL 120 -0.689 -27.114 17.052 1.00 0.34 ATOM 1884 HN VAL 120 0.105 -27.668 17.215 1.00 37.26 ATOM 1885 CA VAL 120 -1.996 -27.570 17.539 1.00 41.24 ATOM 1886 HA VAL 120 -2.658 -27.610 16.684 1.00 2.24 ATOM 1887 CB VAL 120 -1.923 -28.999 18.144 1.00 13.32 ATOM 1888 HB VAL 120 -2.912 -29.269 18.494 1.00 11.21 ATOM 1889 CG1 VAL 120 -1.507 -30.015 17.082 1.00 1.43 ATOM 1890 HG11 VAL 120 -0.534 -29.753 16.692 1.00 62.21 ATOM 1891 HG12 VAL 120 -2.228 -30.012 16.276 1.00 11.34 ATOM 1892 HG13 VAL 120 -1.465 -31.002 17.521 1.00 3.34 ATOM 1893 CG2 VAL 120 -0.969 -29.046 19.336 1.00 1.15 ATOM 1894 HG21 VAL 120 0.015 -28.728 19.024 1.00 10.52 ATOM 1895 HG22 VAL 120 -0.916 -30.056 19.719 1.00 23.43 ATOM 1896 HG23 VAL 120 -1.329 -28.386 20.113 1.00 21.01 ATOM 1897 C VAL 120 -2.606 -26.599 18.570 1.00 41.44 ATOM 1898 O VAL 120 -3.791 -26.278 18.497 1.00 32.43 ATOM 1899 N THR 121 -1.795 -26.112 19.513 1.00 24.22 ATOM 1900 HN THR 121 -0.848 -26.369 19.513 1.00 37.26 ATOM 1901 CA THR 121 -2.292 -25.189 20.545 1.00 3.35 ATOM 1902 HA THR 121 -3.243 -25.576 20.893 1.00 41.12 ATOM 1903 CB THR 121 -1.344 -25.101 21.763 1.00 54.45 ATOM 1904 HB THR 121 -1.767 -24.409 22.480 1.00 71.02 ATOM 1905 OG1 THR 121 -0.055 -24.616 21.361 1.00 51.15 ATOM 1906 HG1 THR 121 0.577 -25.342 21.365 1.00 20.01 ATOM 1907 CG2 THR 121 -1.204 -26.466 22.435 1.00 5.13 ATOM 1908 HG21 THR 121 -0.743 -27.161 21.747 1.00 21.44 ATOM 1909 HG22 THR 121 -2.182 -26.832 22.714 1.00 3.14 ATOM 1910 HG23 THR 121 -0.592 -26.373 23.318 1.00 32.11 ATOM 1911 C THR 121 -2.527 -23.784 19.979 1.00 13.10 ATOM 1912 O THR 121 -3.360 -23.035 20.489 1.00 32.51 ATOM 1913 N ALA 122 -1.797 -23.428 18.923 1.00 21.33 ATOM 1914 HN ALA 122 -1.059 -24.007 18.635 1.00 37.26 ATOM 1915 CA ALA 122 -2.062 -22.185 18.190 1.00 51.34 ATOM 1916 HA ALA 122 -2.090 -21.373 18.907 1.00 52.33 ATOM 1917 CB ALA 122 -0.949 -21.900 17.184 1.00 10.24 ATOM 1918 HB1 ALA 122 -0.004 -21.826 17.703 1.00 54.24 ATOM 1919 HB2 ALA 122 -1.152 -20.970 16.674 1.00 32.11 ATOM 1920 HB3 ALA 122 -0.900 -22.703 16.462 1.00 2.42 ATOM 1921 C ALA 122 -3.417 -22.271 17.483 1.00 33.21 ATOM 1922 O ALA 122 -4.163 -21.294 17.406 1.00 44.40 ATOM 1923 N ASP 123 -3.730 -23.459 16.969 1.00 60.32 ATOM 1924 HN ASP 123 -3.051 -24.171 16.967 1.00 37.26 ATOM 1925 CA ASP 123 -5.044 -23.735 16.390 1.00 0.11 ATOM 1926 HA ASP 123 -5.229 -22.997 15.622 1.00 2.12 ATOM 1927 CB ASP 123 -5.045 -25.131 15.754 1.00 12.22 ATOM 1928 HB1 ASP 123 -4.931 -25.875 16.532 1.00 37.26 ATOM 1929 HB2 ASP 123 -4.213 -25.207 15.069 1.00 73.43 ATOM 1930 CG ASP 123 -6.320 -25.420 14.987 1.00 11.31 ATOM 1931 OD1 ASP 123 -7.123 -26.261 15.438 1.00 24.42 ATOM 1932 OD2 ASP 123 -6.530 -24.795 13.925 1.00 63.21 ATOM 1933 C ASP 123 -6.143 -23.622 17.462 1.00 12.54 ATOM 1934 O ASP 123 -7.253 -23.165 17.189 1.00 40.23 ATOM 1935 N ILE 124 -5.813 -24.033 18.683 1.00 71.14 ATOM 1936 HN ILE 124 -4.936 -24.453 18.817 1.00 37.26 ATOM 1937 CA ILE 124 -6.723 -23.906 19.829 1.00 4.14 ATOM 1938 HA ILE 124 -7.699 -24.266 19.527 1.00 72.51 ATOM 1939 CB ILE 124 -6.226 -24.767 21.017 1.00 4.22 ATOM 1940 HB ILE 124 -5.253 -24.392 21.312 1.00 62.34 ATOM 1941 CG1 ILE 124 -6.088 -26.239 20.597 1.00 11.10 ATOM 1942 HG11 ILE 124 -5.494 -26.296 19.697 1.00 37.26 ATOM 1943 HG12 ILE 124 -7.069 -26.644 20.398 1.00 61.14 ATOM 1944 CG2 ILE 124 -7.165 -24.638 22.217 1.00 32.54 ATOM 1945 HG21 ILE 124 -6.801 -25.254 23.028 1.00 62.50 ATOM 1946 HG22 ILE 124 -8.157 -24.963 21.936 1.00 22.34 ATOM 1947 HG23 ILE 124 -7.202 -23.607 22.539 1.00 53.01 ATOM 1948 CD1 ILE 124 -5.431 -27.117 21.644 1.00 71.55 ATOM 1949 HD11 ILE 124 -6.025 -27.109 22.546 1.00 11.23 ATOM 1950 HD12 ILE 124 -4.442 -26.741 21.861 1.00 4.01 ATOM 1951 HD13 ILE 124 -5.359 -28.127 21.271 1.00 51.34 ATOM 1952 C ILE 124 -6.846 -22.441 20.298 1.00 44.15 ATOM 1953 O ILE 124 -7.925 -21.988 20.681 1.00 52.35 ATOM 1954 N GLY 125 -5.731 -21.710 20.265 1.00 13.42 ATOM 1955 HN GLY 125 -4.904 -22.119 19.936 1.00 37.26 ATOM 1956 CA GLY 125 -5.720 -20.316 20.705 1.00 22.42 ATOM 1957 HA1 GLY 125 -6.694 -20.064 21.103 1.00 37.26 ATOM 1958 HA2 GLY 125 -5.525 -19.684 19.850 1.00 65.12 ATOM 1959 C GLY 125 -4.666 -20.029 21.773 1.00 23.14 ATOM 1960 O GLY 125 -4.927 -20.172 22.969 1.00 63.51 ATOM 1961 N LEU 126 -3.470 -19.634 21.341 1.00 51.43 ATOM 1962 HN LEU 126 -3.301 -19.612 20.375 1.00 37.26 ATOM 1963 HA LEU 126 -2.449 -19.888 23.127 1.00 71.31 ATOM 1964 CB LEU 126 -1.018 -19.433 21.597 1.00 25.54 ATOM 1965 HB1 LEU 126 -0.272 -18.943 22.207 1.00 37.26 ATOM 1966 HB2 LEU 126 -1.042 -18.947 20.632 1.00 25.14 ATOM 1967 CG LEU 126 -0.585 -20.895 21.390 1.00 63.32 ATOM 1968 HG LEU 126 -1.321 -21.395 20.776 1.00 63.44 ATOM 1969 CD1 LEU 126 0.755 -20.966 20.661 1.00 11.25 ATOM 1970 HD11 LEU 126 0.664 -20.497 19.692 1.00 52.11 ATOM 1971 HD12 LEU 126 1.042 -21.999 20.530 1.00 55.45 ATOM 1972 HD13 LEU 126 1.513 -20.456 21.240 1.00 74.53 ATOM 1973 CD2 LEU 126 -0.511 -21.631 22.727 1.00 51.45 ATOM 1974 HD21 LEU 126 -1.489 -21.646 23.187 1.00 4.42 ATOM 1975 HD22 LEU 126 0.186 -21.127 23.381 1.00 43.34 ATOM 1976 HD23 LEU 126 -0.178 -22.645 22.561 1.00 2.22 ATOM 1977 CA LEU 126 -2.391 -19.239 22.264 1.00 21.22 ATOM 1978 C LEU 126 -2.549 -17.779 22.737 1.00 20.00 ATOM 1979 OT1 LEU 126 -2.401 -16.856 21.901 1.00 37.26 ATOM 1980 OT2 LEU 126 -2.803 -17.558 23.946 1.00 37.26 ATOM 1981 OH2 TIP3 1 -9.489 -44.598 15.391 1.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -10.235 -44.958 15.888 1.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -8.722 -45.112 15.706 1.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -6.593 -40.819 16.468 1.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -6.144 -41.116 15.652 1.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -7.363 -41.430 16.552 1.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -6.499 -39.896 12.474 1.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -5.829 -39.913 11.746 1.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -6.239 -40.644 13.053 1.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -8.837 -42.337 16.769 1.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -9.011 -43.175 16.284 1.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.848 -42.601 17.715 1.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -11.833 -43.552 17.788 1.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -12.483 -43.331 17.095 1.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -11.634 -42.700 18.203 1.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -13.237 -42.240 15.812 1.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -12.366 -42.039 15.390 1.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -13.844 -42.331 15.072 1.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -5.577 -42.004 14.030 1.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -4.998 -42.336 13.335 1.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -5.670 -42.768 14.650 1.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -4.607 -40.039 10.543 1.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -4.762 -40.192 9.608 1.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -3.680 -39.706 10.581 1.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -3.561 -44.423 17.756 1.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -3.128 -45.279 17.648 1.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -2.906 -43.886 18.254 1.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -9.751 -42.453 12.628 1.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -10.142 -42.197 13.489 1.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -9.501 -43.375 12.750 1.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -9.793 -40.002 19.073 1.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -10.635 -40.368 18.725 1.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -9.425 -39.494 18.312 1.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -12.087 -40.606 17.734 1.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -11.928 -39.769 17.243 1.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -12.680 -41.115 17.149 1.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.500 -45.556 17.129 1.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -6.914 -45.275 17.864 1.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -8.346 -45.778 17.574 1.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 0.499 -42.997 15.034 1.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -0.145 -42.772 14.357 1.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 0.138 -42.597 15.850 1.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -9.598 -39.877 21.819 1.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -10.369 -40.263 22.262 1.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -9.838 -39.887 20.866 1.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -9.132 -43.019 23.032 1.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -9.077 -42.190 23.551 1.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -8.352 -43.533 23.325 1.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -1.486 -43.192 19.075 1.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -0.811 -43.027 19.771 1.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -1.206 -42.617 18.332 1.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -5.580 -44.007 15.830 1.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -6.313 -44.578 16.137 1.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -4.875 -44.149 16.491 1.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -10.767 -41.501 15.003 1.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -10.102 -41.720 15.694 1.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -10.535 -40.588 14.730 1.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -8.465 -43.211 19.369 1.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -8.492 -42.829 20.259 1.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -7.545 -43.548 19.279 1.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -10.506 -38.435 24.936 1.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -11.186 -38.977 24.465 1.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -10.621 -38.669 25.869 1.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -11.426 -44.392 23.627 1.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -11.492 -45.052 22.932 1.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -10.608 -43.892 23.407 1.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -6.011 -44.354 19.067 1.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -5.098 -44.296 18.721 1.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -5.893 -44.481 20.041 1.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -7.017 -44.306 24.254 1.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -6.203 -43.794 24.469 1.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -7.234 -44.757 25.079 1.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -9.887 -45.354 18.440 1.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -9.393 -44.680 18.948 1.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -10.748 -44.925 18.257 1.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -5.778 -44.487 21.742 1.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -4.864 -44.421 22.093 1.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -6.336 -44.533 22.541 1.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -1.331 -42.293 22.631 1.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -1.360 -41.317 22.584 1.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -0.561 -42.533 22.076 1.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 0.220 -42.510 8.777 1.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 0.634 -43.372 8.703 1.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 0.836 -41.994 9.344 1.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -1.551 -45.424 20.845 1.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -0.603 -45.580 21.025 1.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -1.554 -44.772 20.124 1.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -2.004 -39.215 10.298 1.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -1.701 -39.540 9.421 1.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -1.185 -39.147 10.823 1.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -11.679 -38.431 16.068 1.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -12.343 -37.925 15.588 1.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -11.006 -38.653 15.383 1.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -10.006 -39.068 14.025 1.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -9.963 -39.344 13.086 1.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -9.165 -38.581 14.166 1.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -8.479 -38.864 16.934 1.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -7.797 -39.497 16.632 1.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -8.251 -38.038 16.489 1.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -9.122 -39.985 11.610 1.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -9.375 -40.922 11.779 1.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -8.167 -39.951 11.840 1.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -1.238 -40.381 7.939 1.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -1.241 -40.456 6.982 1.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -0.813 -41.214 8.245 1.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -0.786 -37.965 30.961 1.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -0.930 -37.108 31.412 1.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -0.132 -38.424 31.531 1.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -3.107 -36.342 35.264 1.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -2.698 -36.833 35.988 1.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -3.477 -35.548 35.695 1.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -10.013 -43.729 29.589 1.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -9.239 -44.094 30.045 1.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -9.963 -42.773 29.771 1.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -1.708 -40.544 33.252 1.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -1.947 -40.696 34.193 1.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -1.016 -39.860 33.289 1.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -3.963 -41.216 28.500 1.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -4.607 -40.530 28.300 1.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -3.416 -40.831 29.224 1.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -6.697 -37.200 31.722 1.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -5.924 -36.703 32.076 1.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -6.960 -37.775 32.462 1.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -2.672 -48.750 35.323 1.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -2.561 -48.374 34.421 1.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -2.801 -49.689 35.173 1.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -5.976 -41.841 32.852 1.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -5.622 -41.921 33.758 1.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -5.761 -40.940 32.596 1.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -8.783 -41.927 27.149 1.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -8.681 -41.487 26.276 1.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -9.562 -42.511 27.031 1.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -6.000 -43.653 36.628 1.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -6.883 -43.332 36.832 1.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -5.594 -42.925 36.114 1.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -6.396 -38.870 26.071 1.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -6.750 -38.466 25.251 1.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -7.018 -38.579 26.764 1.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -4.636 -43.130 24.786 1.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -4.326 -43.377 25.688 1.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -4.014 -43.593 24.185 1.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -7.426 -43.082 30.818 1.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -7.929 -42.266 30.629 1.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -6.874 -42.845 31.595 1.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -2.258 -47.662 32.847 1.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -1.965 -46.784 33.170 1.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -2.226 -47.583 31.888 1.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -4.827 -45.430 38.313 1.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -4.223 -45.972 37.762 1.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -5.297 -44.854 37.664 1.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -6.826 -43.682 28.166 1.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -7.493 -43.058 27.819 1.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -6.929 -43.624 29.139 1.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -1.361 -44.444 36.393 1.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -1.379 -44.691 35.441 1.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -1.108 -43.484 36.388 1.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -4.899 -41.424 35.432 1.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -5.103 -40.613 35.933 1.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -3.921 -41.523 35.532 1.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -5.967 -40.827 24.173 1.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -5.839 -40.221 24.934 1.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -5.435 -41.622 24.407 1.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -4.180 -43.662 27.434 1.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -5.107 -43.854 27.699 1.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -4.020 -42.751 27.778 1.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -12.343 -40.060 23.782 1.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -13.157 -39.970 23.277 1.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -12.478 -40.883 24.315 1.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -10.998 -43.600 27.028 1.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -10.783 -43.789 27.972 1.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -11.109 -44.472 26.631 1.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -8.666 -40.827 24.655 1.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -9.023 -39.944 24.465 1.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -7.709 -40.749 24.443 1.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -9.046 -41.084 29.749 1.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -8.881 -41.273 28.798 1.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -9.247 -40.140 29.771 1.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -3.831 -41.522 40.087 1.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -3.494 -42.233 39.498 1.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -3.099 -40.881 40.128 1.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -12.579 -42.390 25.107 1.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -12.354 -43.128 24.502 1.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -12.152 -42.638 25.950 1.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.686 -46.818 37.238 1.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -2.684 -47.563 36.590 1.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.125 -46.137 36.820 1.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -3.197 -44.233 22.690 1.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -2.743 -44.922 22.156 1.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -2.573 -43.471 22.671 1.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -5.175 -47.361 40.291 1.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -5.339 -46.673 39.613 1.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -4.241 -47.615 40.147 1.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -8.253 -35.241 25.648 1.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -8.075 -34.661 24.864 1.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -7.794 -34.794 26.379 1.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 1.335 -42.540 38.898 1.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 0.687 -42.128 38.284 1.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 1.317 -41.975 39.680 1.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -2.533 -40.043 30.494 1.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -1.981 -39.231 30.471 1.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -2.455 -40.353 31.413 1.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -0.869 -42.952 32.269 1.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -1.324 -42.133 32.562 1.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 0.070 -42.722 32.294 1.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -1.145 -45.249 33.709 1.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -0.196 -45.493 33.617 1.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -1.242 -44.457 33.133 1.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -1.175 -44.217 25.453 1.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -0.270 -43.879 25.632 1.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -1.466 -43.711 24.685 1.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.455 -47.362 39.920 1.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -1.485 -47.411 40.082 1.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -2.527 -47.214 38.952 1.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -6.601 -44.240 42.585 1.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -5.796 -43.705 42.719 1.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -6.306 -45.156 42.748 1.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -6.299 -38.169 38.723 1.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -5.655 -38.542 38.091 1.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -6.531 -38.931 39.301 1.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -7.233 -38.182 34.344 1.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -7.705 -37.486 34.851 1.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -6.405 -38.306 34.827 1.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -4.288 -39.153 36.974 1.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.888 -38.325 37.319 1.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -3.518 -39.715 36.753 1.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -7.989 -37.696 24.173 1.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -8.935 -37.900 24.323 1.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -7.909 -36.758 24.413 1.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -1.285 -40.162 40.625 1.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -1.793 -39.692 41.324 1.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -0.425 -39.692 40.601 1.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -2.429 -41.580 44.095 1.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -1.625 -42.087 43.923 1.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -3.140 -42.102 43.651 1.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -5.414 -46.732 42.900 1.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -5.465 -47.046 41.962 1.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -5.710 -47.486 43.418 1.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -1.027 -42.837 40.867 1.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -1.185 -41.871 40.767 1.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -1.592 -43.243 40.171 1.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -3.051 -45.594 41.973 1.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -3.817 -46.013 42.417 1.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -2.893 -46.159 41.185 1.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -2.680 -39.198 42.736 1.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -3.648 -39.044 42.594 1.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -2.647 -39.993 43.306 1.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -7.970 -42.626 40.858 1.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -8.891 -42.852 41.001 1.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -7.477 -43.254 41.434 1.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -2.433 -39.435 45.977 1.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -3.093 -39.792 46.577 1.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -2.323 -40.131 45.301 1.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -4.060 -43.084 42.489 1.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -3.654 -43.940 42.221 1.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -4.098 -42.566 41.659 1.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -2.718 -43.690 38.833 1.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -2.267 -43.817 37.976 1.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -3.474 -44.317 38.799 1.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -7.992 -27.241 17.855 1.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -8.774 -26.690 17.730 1.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -7.450 -27.068 17.056 1.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -7.859 -31.830 13.951 1.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -7.647 -32.113 14.871 1.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -7.436 -32.517 13.390 1.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -9.693 -29.732 14.175 1.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -9.116 -29.004 13.854 1.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -9.124 -30.528 14.123 1.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -8.351 -29.033 19.845 1.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -9.300 -29.159 19.644 1.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -8.065 -28.329 19.213 1.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -6.724 -33.932 12.623 1.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -6.266 -34.465 13.299 1.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -7.420 -34.533 12.280 1.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -10.960 -29.587 18.889 1.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -10.917 -29.179 17.988 1.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -11.200 -30.503 18.721 1.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -9.954 -37.565 10.619 1.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -9.664 -38.454 10.920 1.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -10.441 -37.737 9.809 1.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -4.614 -28.527 8.119 1.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -4.970 -28.267 9.000 1.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -5.387 -28.521 7.543 1.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -1.530 -28.551 10.073 1.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -2.092 -29.346 9.994 1.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -1.100 -28.482 9.213 1.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -12.262 -28.828 13.617 1.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -12.516 -28.638 14.529 1.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -11.389 -29.263 13.699 1.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -9.777 -26.175 15.572 1.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -10.028 -26.125 14.624 1.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -8.788 -26.211 15.558 1.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -10.853 -28.592 16.376 1.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -10.564 -27.666 16.215 1.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -10.395 -29.109 15.680 1.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.146 -27.582 20.768 1.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -11.276 -28.224 20.043 1.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -11.922 -26.984 20.707 1.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -9.266 -25.626 3.272 1.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -9.051 -25.585 2.339 1.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -10.211 -25.789 3.292 1.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -13.024 -25.699 21.359 1.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -13.570 -24.922 21.127 1.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -12.279 -25.318 21.869 1.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -7.338 -23.554 9.720 1.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -7.697 -23.064 8.973 1.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -7.997 -23.410 10.440 1.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -3.363 -20.906 7.249 1.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -2.651 -21.546 7.350 1.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -3.304 -20.356 8.048 1.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -4.666 -23.451 10.533 1.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -5.546 -23.480 10.105 1.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -4.834 -22.994 11.394 1.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -6.505 -35.602 20.116 1.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -6.068 -35.615 20.992 1.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -7.241 -36.255 20.208 1.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -6.809 -29.834 12.283 1.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -7.144 -30.529 12.884 1.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -7.247 -29.013 12.603 1.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -6.744 -27.479 24.783 1.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -7.067 -27.701 23.889 1.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -7.015 -28.229 25.321 1.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -5.233 -31.653 10.877 1.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -5.754 -30.958 11.329 1.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -5.591 -32.482 11.229 1.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -8.132 -27.661 13.291 1.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -8.750 -26.986 12.949 1.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -7.607 -27.178 13.976 1.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -6.275 -35.668 14.983 1.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -7.196 -35.514 15.283 1.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -5.733 -35.463 15.769 1.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -10.034 -33.914 13.794 1.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -9.692 -34.515 13.100 1.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -9.737 -33.038 13.519 1.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -10.303 -25.823 12.927 1.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -10.816 -24.999 13.084 1.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -10.848 -26.321 12.272 1.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -5.796 -27.868 10.465 1.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -5.440 -27.183 11.079 1.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -6.093 -28.587 11.057 1.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -7.973 -28.863 22.557 1.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -8.799 -28.398 22.805 1.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -8.002 -28.889 21.571 1.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -0.633 -31.075 8.394 1.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -1.587 -31.034 8.629 1.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -0.563 -31.856 7.804 1.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -2.528 -23.566 7.030 1.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -2.789 -24.517 7.071 1.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -3.302 -23.126 6.637 1.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -11.744 -23.481 13.331 1.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -11.335 -22.602 13.461 1.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -12.504 -23.480 13.952 1.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -12.008 -27.264 11.410 1.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -12.161 -27.890 12.154 1.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -12.799 -27.340 10.873 1.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -9.234 -22.993 11.623 1.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -9.028 -23.338 12.512 1.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -10.195 -23.101 11.547 1.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -6.809 -26.050 8.527 1.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -6.586 -26.702 9.220 1.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -7.002 -25.231 9.024 1.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -3.485 -26.129 7.074 1.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -4.312 -25.956 6.566 1.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -3.681 -26.949 7.569 1.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -5.447 -34.945 17.638 1.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -4.525 -34.985 17.956 1.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -5.976 -35.206 18.426 1.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -4.882 -25.811 11.944 1.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -5.500 -25.518 12.654 1.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -4.722 -25.000 11.420 1.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -7.118 -32.914 16.382 1.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -7.271 -32.219 17.069 1.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -6.418 -33.477 16.767 1.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -3.203 -30.658 9.292 1.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -3.721 -30.007 8.775 1.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -3.876 -31.108 9.856 1.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -13.956 -23.108 21.024 1.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -14.298 -22.695 21.851 1.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -14.283 -22.533 20.315 1.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -10.006 -30.079 24.796 1.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -9.374 -30.644 24.331 1.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -10.039 -29.259 24.254 1.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -10.667 -35.526 20.164 1.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -10.699 -35.846 19.229 1.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -11.212 -34.737 20.162 1.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -8.807 -35.093 15.897 1.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -8.366 -34.294 16.249 1.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -9.396 -34.747 15.186 1.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -7.459 -31.271 18.491 1.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -7.682 -30.405 18.885 1.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -7.296 -31.849 19.267 1.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -10.649 -36.331 17.594 1.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -9.938 -35.978 17.023 1.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -10.923 -37.157 17.153 1.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -7.195 -32.964 20.604 1.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -6.844 -33.818 20.275 1.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -7.873 -33.221 21.247 1.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -8.584 -37.224 20.722 1.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -9.353 -36.630 20.565 1.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -8.879 -37.810 21.432 1.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -7.619 -33.790 23.452 1.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -6.901 -34.344 23.091 1.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -7.248 -32.878 23.438 1.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 0.245 -25.412 10.913 1.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 0.106 -24.460 10.981 1.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -0.620 -25.799 11.190 1.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 1.223 -31.161 10.376 1.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 1.377 -32.103 10.514 1.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 0.514 -31.129 9.693 1.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -0.816 -26.705 6.324 1.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -0.907 -26.503 5.367 1.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -1.717 -26.583 6.676 1.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -2.152 -26.397 11.694 1.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -3.106 -26.319 11.891 1.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -2.083 -27.203 11.137 1.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 0.068 -33.139 6.747 1.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 0.982 -33.350 7.060 1.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -0.237 -33.955 6.342 1.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -5.302 -22.510 12.937 1.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -5.715 -23.275 13.394 1.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -5.074 -21.888 13.660 1.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -13.429 -22.706 15.398 1.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -13.513 -23.008 16.317 1.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -13.176 -21.772 15.482 1.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -11.812 -20.493 16.193 1.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -11.382 -20.799 15.370 1.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -11.276 -19.717 16.461 1.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -12.959 -22.115 18.181 1.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -12.546 -21.425 17.620 1.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -12.246 -22.392 18.779 1.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -8.834 -23.514 14.496 1.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.325 -24.076 15.122 1.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -8.040 -24.061 14.257 1.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -8.733 -35.817 12.301 1.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.202 -36.310 11.586 1.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -8.419 -36.520 12.904 1.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -1.702 -39.238 15.912 1.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -1.420 -38.521 16.527 1.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -2.055 -38.768 15.148 1.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 0.425 -39.347 11.726 1.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 0.897 -39.978 11.142 1.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 0.460 -39.758 12.594 1.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -7.573 -37.823 13.907 1.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -6.885 -37.195 14.216 1.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -7.070 -38.508 13.408 1.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -5.952 -25.767 5.958 1.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -6.688 -25.692 5.340 1.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -6.383 -25.865 6.839 1.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -2.075 -23.006 9.700 1.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -2.160 -23.305 8.770 1.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -2.907 -23.315 10.126 1.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -7.504 -20.882 32.692 1.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -8.434 -20.836 32.928 1.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -7.305 -19.998 32.322 1.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -5.268 -33.514 30.324 1.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -4.386 -33.086 30.195 1.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -5.362 -33.571 31.284 1.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -12.083 -34.996 32.320 1.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -12.201 -35.379 33.202 1.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -11.122 -35.079 32.154 1.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -9.047 -28.746 32.034 1.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -9.267 -29.070 31.140 1.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -9.632 -29.268 32.621 1.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -9.815 -38.011 33.168 1.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -9.603 -37.236 32.613 1.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -8.951 -38.299 33.517 1.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -6.014 -25.977 28.463 1.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -6.329 -25.533 27.661 1.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -5.074 -26.156 28.280 1.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 1.317 -28.480 37.484 1.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 0.683 -28.800 36.797 1.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 1.556 -29.289 37.975 1.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -10.435 -30.909 27.414 1.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -11.326 -31.293 27.287 1.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -10.199 -30.562 26.529 1.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -8.324 -26.153 29.968 1.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -8.262 -26.879 30.601 1.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -7.444 -26.133 29.533 1.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -10.710 -30.795 32.874 1.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -10.949 -31.678 33.173 1.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -10.659 -30.874 31.906 1.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -5.472 -22.679 32.853 1.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -4.994 -22.705 31.997 1.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -6.257 -22.107 32.675 1.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -5.758 -20.630 29.711 1.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -6.193 -20.927 28.875 1.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -5.177 -21.375 29.952 1.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 0.170 -23.213 38.711 1.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 0.642 -23.963 39.102 1.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -0.308 -23.608 37.943 1.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -6.483 -29.449 37.504 1.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -7.370 -29.343 37.897 1.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -6.283 -28.568 37.143 1.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -6.612 -21.387 27.235 1.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -6.651 -20.856 26.418 1.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -5.906 -22.042 27.061 1.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -2.946 -20.897 25.946 1.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -3.456 -21.631 26.346 1.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -3.293 -20.830 25.047 1.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -4.436 -23.045 26.815 1.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -4.755 -23.803 26.272 1.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -3.986 -23.463 27.561 1.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -4.411 -34.420 36.933 1.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -5.294 -34.853 37.032 1.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -4.579 -33.485 37.175 1.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -6.699 -35.827 37.301 1.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -6.690 -36.630 37.861 1.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -7.523 -35.906 36.781 1.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -5.046 -31.806 37.868 1.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -4.210 -31.420 38.180 1.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -5.627 -31.027 37.710 1.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -11.152 -35.729 25.285 1.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -11.063 -36.635 24.939 1.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -10.237 -35.416 25.368 1.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -9.402 -35.449 31.984 1.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -8.719 -35.005 32.535 1.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -8.956 -35.601 31.126 1.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -10.363 -30.116 30.025 1.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -10.187 -30.450 29.113 1.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -11.182 -29.617 29.935 1.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -13.076 -31.691 26.931 1.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -12.928 -32.664 26.810 1.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -13.854 -31.644 27.495 1.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -2.428 -22.261 39.051 1.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -1.498 -22.554 39.006 1.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -2.371 -21.289 39.038 1.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -7.456 -34.334 33.634 1.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -7.327 -33.355 33.625 1.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -6.556 -34.691 33.714 1.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -11.395 -36.468 34.738 1.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -10.945 -37.104 34.135 1.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -12.020 -37.009 35.230 1.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -11.077 -24.634 25.610 1.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -11.605 -25.445 25.444 1.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -10.661 -24.794 26.489 1.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -8.737 -27.839 38.006 1.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -8.046 -27.340 37.527 1.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -9.510 -27.273 37.964 1.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -10.333 -27.793 23.320 1.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -11.042 -27.340 23.819 1.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -10.594 -27.673 22.372 1.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -6.326 -24.513 34.720 1.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -6.005 -23.827 34.087 1.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -7.018 -24.976 34.232 1.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 1.781 -25.927 36.040 1.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 0.855 -25.958 35.741 1.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 1.916 -26.786 36.478 1.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -10.046 -24.878 28.184 1.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -9.418 -25.425 28.705 1.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -10.465 -24.317 28.840 1.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -4.010 -24.152 36.227 1.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -3.844 -23.235 35.980 1.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -4.834 -24.383 35.749 1.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -11.867 -22.253 24.472 1.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -11.064 -21.697 24.505 1.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -11.646 -23.026 25.042 1.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -9.138 -21.384 24.585 1.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -8.369 -20.838 24.841 1.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -8.959 -22.247 24.983 1.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -6.894 -33.864 28.176 1.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -7.541 -33.156 28.298 1.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -6.245 -33.727 28.910 1.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -7.107 -31.583 33.562 1.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -6.350 -30.981 33.459 1.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -7.778 -31.048 34.004 1.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -8.449 -37.499 27.377 1.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -8.440 -37.055 28.250 1.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -8.510 -36.767 26.737 1.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -11.120 -24.340 22.785 1.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -10.764 -24.768 23.581 1.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -11.517 -23.514 23.120 1.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -12.756 -34.360 27.045 1.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -12.274 -34.915 26.391 1.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -12.729 -34.884 27.873 1.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -2.187 -20.244 31.402 1.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -1.410 -19.692 31.554 1.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -2.739 -19.713 30.771 1.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -12.644 -29.356 25.436 1.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -13.002 -30.122 25.925 1.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -11.750 -29.642 25.174 1.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -6.730 -26.846 36.379 1.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -6.501 -25.952 36.073 1.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -6.982 -27.326 35.555 1.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -12.558 -26.763 24.593 1.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -13.238 -26.649 23.914 1.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -12.742 -27.656 24.972 1.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -6.798 -31.283 22.839 1.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -6.701 -31.597 21.922 1.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -7.103 -30.355 22.746 1.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -8.696 -36.084 35.392 1.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -9.670 -36.078 35.278 1.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -8.383 -35.353 34.814 1.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -7.304 -28.110 34.047 1.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -7.986 -28.244 33.353 1.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -6.534 -28.615 33.722 1.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -4.074 -33.131 40.288 1.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -4.937 -33.039 39.854 1.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -3.495 -32.507 39.799 1.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -2.515 -27.155 38.411 1.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -2.892 -26.326 38.795 1.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -2.973 -27.250 37.569 1.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -12.819 -43.794 36.684 1.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -12.513 -43.695 35.780 1.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -13.759 -43.955 36.602 1.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -5.583 -36.523 40.883 1.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -5.902 -36.907 40.045 1.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -4.692 -36.195 40.671 1.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -5.297 -38.871 42.215 1.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -5.522 -37.964 41.913 1.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -5.814 -39.453 41.626 1.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -6.673 -19.905 24.885 1.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -6.136 -20.191 24.109 1.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -6.116 -19.209 25.308 1.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 0.519 -26.203 38.839 1.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 0.718 -27.027 38.344 1.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -0.362 -25.943 38.521 1.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -1.289 -24.604 36.877 1.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -1.145 -25.396 36.314 1.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -2.252 -24.458 36.836 1.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -0.728 -32.196 36.886 1.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -0.478 -33.107 36.609 1.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -0.683 -31.672 36.059 1.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -3.708 -22.531 30.673 1.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -3.149 -21.764 30.912 1.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -3.063 -23.212 30.391 1.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -4.147 -20.128 33.338 1.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -4.679 -20.942 33.260 1.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -3.326 -20.330 32.844 1.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -4.925 -17.534 32.924 1.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -5.668 -17.623 32.295 1.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -4.637 -18.462 33.080 1.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -8.020 -36.056 29.667 1.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -7.427 -36.515 30.314 1.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -7.448 -35.385 29.252 1.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -4.858 -35.940 33.233 1.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -4.653 -34.988 33.333 1.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -4.211 -36.382 33.827 1.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -12.304 -35.494 29.564 1.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -12.535 -35.346 30.504 1.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -11.345 -35.459 29.550 1.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -5.238 -25.403 25.716 1.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -4.542 -25.955 26.106 1.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -5.833 -26.048 25.266 1.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -6.411 -40.467 40.207 1.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -5.547 -40.921 40.109 1.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -7.047 -41.197 40.394 1.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -3.608 -24.733 38.927 1.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -3.995 -24.541 38.055 1.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -3.235 -23.873 39.215 1.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -2.939 -35.564 40.560 1.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -2.003 -35.356 40.706 1.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -3.369 -34.678 40.463 1.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -1.139 -29.192 39.508 1.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -0.816 -28.731 40.290 1.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -1.641 -28.496 39.011 1.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -2.485 -35.672 43.536 1.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -3.018 -35.943 42.769 1.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -2.395 -34.703 43.435 1.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 0.913 -30.981 38.775 1.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 0.502 -31.519 38.065 1.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 0.200 -30.370 39.051 1.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -0.950 -33.249 41.137 1.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -1.294 -33.097 42.042 1.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -1.568 -32.770 40.563 1.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -2.403 -31.524 38.936 1.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -1.857 -31.844 38.178 1.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -2.015 -30.649 39.156 1.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -3.308 -36.771 38.048 1.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -3.069 -36.573 38.975 1.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -3.649 -35.918 37.706 1.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -1.055 -8.766 1.007 1.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -1.737 -8.769 0.305 1.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -1.506 -8.349 1.778 1.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 0.838 -7.150 -0.146 1.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 0.270 -6.722 -0.804 1.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 0.230 -7.753 0.335 1.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -2.334 -4.781 2.979 1.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -2.429 -3.975 3.524 1.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -2.602 -4.491 2.080 1.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -4.725 -1.731 2.206 1.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -5.681 -1.688 2.323 1.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -4.514 -0.937 1.649 1.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 1.079 -10.269 1.830 1.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 1.683 -9.502 1.869 1.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 0.220 -9.880 1.559 1.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 2.675 -8.012 1.875 1.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 2.244 -7.659 1.071 1.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 2.594 -7.287 2.525 1.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -2.965 -8.531 -1.012 1.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -2.756 -9.031 -1.835 1.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -3.897 -8.713 -0.857 1.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 1.341 -3.568 -2.649 1.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 1.348 -2.589 -2.545 1.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 0.383 -3.788 -2.738 1.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 1.788 -4.527 -0.002 1.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 1.538 -5.464 0.081 1.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 1.450 -4.266 -0.874 1.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -1.520 -8.279 -8.060 1.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -2.367 -7.824 -8.147 1.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -0.915 -7.598 -7.730 1.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 2.600 -6.197 -4.411 1.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 2.994 -6.782 -5.090 1.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 1.667 -6.153 -4.649 1.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -2.401 -7.507 3.006 1.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -2.349 -6.525 3.023 1.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -3.035 -7.721 3.696 1.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 2.402 -12.487 2.488 1.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 1.723 -13.103 2.781 1.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 1.901 -11.655 2.284 1.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 4.633 -11.921 4.010 1.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 5.309 -12.234 3.384 1.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 3.784 -12.196 3.600 1.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -3.262 -2.046 -1.586 1.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -4.138 -1.684 -1.854 1.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -2.618 -1.401 -1.954 1.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 0.680 -16.800 14.377 1.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 1.609 -16.993 14.626 1.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 0.402 -16.111 15.014 1.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -4.546 -17.513 15.577 1.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -5.061 -17.677 14.768 1.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -5.150 -17.789 16.301 1.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -0.829 -16.521 19.558 1.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -1.364 -16.568 18.738 1.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -1.459 -16.769 20.272 1.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -3.597 -17.441 12.316 1.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.450 -17.879 12.508 1.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -3.520 -16.766 12.996 1.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -3.565 -18.637 18.527 1.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.386 -19.002 18.127 1.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -3.784 -17.714 18.715 1.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -7.515 -21.134 14.765 1.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -7.796 -22.069 14.828 1.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -7.626 -20.790 15.672 1.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -0.110 -12.930 18.374 1.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 0.693 -12.432 18.114 1.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 0.166 -13.415 19.180 1.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -4.927 -12.895 21.193 1.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -4.146 -12.810 20.607 1.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -4.782 -13.747 21.663 1.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -9.662 -18.735 16.175 1.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -9.109 -19.343 16.693 1.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -9.023 -18.093 15.799 1.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -7.570 -13.346 20.637 1.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -6.666 -13.065 20.886 1.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -7.655 -14.241 21.025 1.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -4.188 -14.932 18.303 1.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -3.728 -14.237 18.818 1.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -5.099 -14.591 18.200 1.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -7.723 -17.279 14.883 1.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -7.113 -17.785 14.321 1.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -8.118 -16.619 14.275 1.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -6.848 -14.037 18.104 1.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -7.448 -13.690 17.437 1.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -7.203 -13.688 18.954 1.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -6.826 -16.725 18.855 1.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -7.002 -16.536 19.800 1.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -6.800 -15.842 18.440 1.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -6.076 -18.890 17.465 1.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -6.795 -19.556 17.502 1.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -6.438 -18.119 17.970 1.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -8.981 -15.688 13.042 1.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -9.594 -14.974 13.237 1.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -9.320 -16.078 12.229 1.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -11.301 -22.872 20.404 1.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -12.246 -22.979 20.647 1.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -10.830 -23.449 21.033 1.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -10.092 -20.676 19.319 1.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -9.993 -20.130 20.115 1.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -10.479 -21.514 19.652 1.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -4.628 -15.313 22.451 1.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -3.898 -15.941 22.236 1.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -4.518 -15.139 23.411 1.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -6.037 -10.534 22.064 1.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -5.514 -11.325 21.815 1.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -6.927 -10.737 21.761 1.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -8.135 -20.718 17.452 1.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -8.851 -20.682 18.137 1.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -7.852 -21.659 17.455 1.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -7.102 -15.975 21.497 1.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -7.438 -16.652 22.118 1.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -6.208 -15.757 21.843 1.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -7.959 -18.022 23.234 1.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -7.679 -18.692 23.885 1.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -8.489 -18.533 22.585 1.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 2.621 -12.538 18.103 1.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 2.907 -13.267 17.518 1.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 3.048 -12.736 18.960 1.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 0.646 -14.372 20.538 1.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 0.003 -14.188 21.256 1.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 0.314 -15.202 20.132 1.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -2.412 -19.134 15.925 1.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -2.480 -19.162 16.899 1.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -3.135 -18.529 15.657 1.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -2.215 -16.229 17.071 1.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -2.698 -16.719 16.385 1.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -2.915 -15.689 17.512 1.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -5.832 -18.731 13.363 1.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -6.486 -19.151 12.761 1.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -5.435 -19.491 13.851 1.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -4.459 -20.652 14.805 1.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -4.754 -20.812 15.724 1.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -3.536 -20.351 14.905 1.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -10.326 -21.219 14.002 1.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -9.757 -20.435 13.968 1.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -9.717 -21.945 14.248 1.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -7.720 -20.373 12.166 1.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -7.557 -20.714 13.073 1.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -8.176 -21.102 11.720 1.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -2.774 -20.322 9.964 1.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -2.476 -21.255 9.955 1.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -3.457 -20.298 10.646 1.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -14.467 -22.104 23.520 1.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -13.544 -22.073 23.858 1.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -15.008 -22.041 24.309 1.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 1.088 -16.887 34.188 1.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 1.649 -16.748 34.976 1.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 0.199 -16.578 34.468 1.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -2.278 -13.698 30.877 1.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -2.431 -14.428 31.509 1.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -1.307 -13.660 30.785 1.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -1.513 -16.085 34.831 1.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -2.276 -16.505 35.279 1.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -1.419 -15.215 35.277 1.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -0.949 -13.576 35.926 1.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -0.420 -12.904 35.427 1.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -1.633 -13.058 36.362 1.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -2.620 -16.062 32.273 1.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -2.188 -16.077 33.154 1.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -3.475 -16.523 32.418 1.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -5.677 -14.676 28.571 1.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -4.834 -14.194 28.378 1.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -5.942 -14.349 29.436 1.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -2.321 -9.775 25.278 1.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -1.889 -9.004 24.902 1.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -3.232 -9.751 24.896 1.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -4.918 -17.992 25.649 1.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -4.514 -17.728 26.507 1.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -4.172 -17.926 25.003 1.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -4.800 -9.456 24.249 1.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -5.128 -9.777 23.379 1.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -5.601 -9.288 24.753 1.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -7.048 -16.344 25.263 1.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -7.536 -16.692 24.491 1.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -6.400 -17.044 25.471 1.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -6.851 -13.771 26.216 1.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -6.607 -14.019 27.124 1.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -7.172 -14.605 25.819 1.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -9.180 -20.167 22.017 1.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -9.362 -20.642 22.848 1.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -8.709 -20.831 21.461 1.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -1.936 -11.268 27.496 1.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -1.440 -10.629 28.049 1.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -2.249 -10.730 26.731 1.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 0.198 -12.021 25.883 1.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -0.673 -11.930 26.327 1.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 0.197 -11.320 25.214 1.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -3.230 -13.585 28.329 1.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -2.842 -12.766 27.951 1.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -2.908 -13.594 29.258 1.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -4.004 -16.757 27.909 1.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -3.172 -16.264 27.983 1.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -4.697 -16.084 28.087 1.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -4.497 -14.846 25.156 1.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -4.958 -15.673 25.366 1.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -5.123 -14.148 25.440 1.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -2.758 -17.127 38.242 1.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -3.222 -17.234 37.392 1.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -2.552 -18.039 38.520 1.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -2.590 -13.185 19.724 1.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -2.175 -13.523 20.547 1.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -1.830 -12.921 19.163 1.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 1.591 -9.198 24.278 1.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 1.696 -8.744 23.436 1.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 2.200 -9.975 24.211 1.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -1.775 -15.153 24.797 1.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -2.028 -16.027 24.414 1.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -2.628 -14.776 25.102 1.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 0.833 -14.276 24.369 1.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -0.032 -14.718 24.466 1.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 0.752 -13.473 24.924 1.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 0.435 -11.635 34.610 1.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 0.721 -12.060 33.765 1.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 0.779 -10.741 34.549 1.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -1.391 -19.622 38.959 1.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -0.634 -19.987 39.450 1.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -0.985 -19.223 38.158 1.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -0.303 -16.212 26.971 1.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -0.742 -15.622 26.333 1.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -0.694 -17.091 26.790 1.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -0.064 -18.268 37.002 1.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 0.790 -18.386 37.459 1.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -0.124 -17.308 36.862 1.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -3.855 -17.445 35.593 1.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -4.373 -17.147 34.820 1.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -3.933 -18.409 35.569 1.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -1.149 -16.543 30.004 1.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -0.897 -15.625 29.810 1.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -1.787 -16.464 30.747 1.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -0.386 -18.832 28.749 1.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -0.828 -18.008 29.048 1.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -0.676 -18.930 27.821 1.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -3.724 -18.748 29.783 1.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -4.532 -19.285 29.692 1.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -3.806 -18.068 29.081 1.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -1.574 -18.545 26.219 1.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -1.998 -19.433 26.259 1.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -1.901 -18.167 25.373 1.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -6.828 -18.602 31.193 1.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -6.388 -19.340 30.709 1.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -7.303 -18.122 30.508 1.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 1.448 -0.837 -2.482 1.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 1.422 -0.166 -1.766 1.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 2.285 -0.657 -2.948 1.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 1.011 1.054 -0.552 1.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 0.495 1.884 -0.621 1.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 0.414 0.439 -0.060 1.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 -1.480 -0.180 -2.469 1.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 -1.646 0.559 -1.835 1.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 -0.544 -0.414 -2.324 1.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 -0.502 -0.963 0.501 1.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 -0.282 -1.351 1.369 1.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 -1.145 -1.576 0.124 1.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 2.692 7.638 0.610 1.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 3.601 7.637 0.972 1.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 2.430 8.563 0.630 1.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 -2.000 1.898 -0.812 1.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 -1.433 2.661 -1.042 1.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 -2.072 1.942 0.163 1.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 0.132 3.642 -1.050 1.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 0.728 4.251 -0.571 1.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 0.312 3.827 -2.000 1.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -4.091 0.439 0.755 1.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -3.536 1.045 1.291 1.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -3.796 0.591 -0.152 1.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -2.682 -2.177 3.969 1.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -2.954 -1.731 4.779 1.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -3.416 -1.994 3.335 1.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -1.950 -5.871 -0.773 1.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -2.469 -5.348 -0.138 1.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -2.402 -6.738 -0.798 1.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 -1.348 -3.900 -2.550 1.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 -2.085 -3.289 -2.367 1.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 -1.545 -4.687 -1.997 1.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 9.658 -47.021 12.065 1.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 10.276 -46.561 11.490 1.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 10.238 -47.523 12.688 1.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 15.445 -43.726 15.625 1.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 15.706 -42.889 15.173 1.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 16.225 -44.293 15.542 1.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 7.776 -45.594 13.777 1.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 7.163 -45.955 13.105 1.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 8.655 -45.796 13.423 1.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 11.542 -48.169 13.671 1.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 12.198 -47.644 14.189 1.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 11.723 -49.078 13.924 1.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 7.069 -45.051 16.310 1.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 7.387 -44.976 15.377 1.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 6.970 -45.999 16.444 1.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 4.485 -44.148 16.770 1.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 5.413 -44.348 16.528 1.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 4.044 -43.981 15.911 1.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 10.487 -40.293 13.559 1.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 9.882 -39.917 12.879 1.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 11.336 -40.396 13.088 1.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 12.743 -39.957 11.981 1.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 12.495 -40.115 11.064 1.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 12.644 -38.980 12.092 1.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 13.850 -41.355 17.786 1.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 13.862 -40.680 18.515 1.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 14.353 -42.103 18.154 1.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 15.226 -42.834 19.697 1.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 15.717 -43.333 20.375 1.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 15.425 -41.885 19.908 1.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 6.935 -47.093 11.606 1.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 6.707 -47.831 11.039 1.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 7.909 -47.159 11.709 1.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 3.813 -45.945 20.582 1.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 4.207 -46.514 19.911 1.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 3.949 -45.033 20.233 1.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 6.599 -42.710 20.685 1.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 7.224 -43.126 20.049 1.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 5.727 -43.062 20.421 1.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -0.607 -41.451 17.092 1.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -1.131 -40.740 16.649 1.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 0.198 -41.004 17.379 1.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 3.297 -41.567 12.636 1.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 3.438 -42.244 13.324 1.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 3.911 -40.843 12.883 1.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 8.986 -39.107 11.612 1.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 8.776 -38.164 11.722 1.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 8.186 -39.480 11.198 1.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 8.119 -37.989 15.688 1.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 7.361 -37.660 15.175 1.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 7.799 -38.014 16.607 1.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 15.455 -46.264 19.897 1.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 15.908 -47.093 20.169 1.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 15.827 -45.584 20.493 1.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 3.045 -43.789 14.401 1.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 2.852 -44.532 13.819 1.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 2.159 -43.486 14.709 1.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 9.183 -46.691 22.806 1.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 9.693 -45.937 23.177 1.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 9.798 -47.114 22.202 1.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 4.127 -43.495 19.388 1.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 3.637 -42.650 19.331 1.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 4.252 -43.761 18.442 1.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 13.417 -47.059 15.303 1.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 14.199 -47.222 15.871 1.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 13.134 -46.157 15.547 1.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 7.970 -43.782 18.590 1.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 8.886 -44.144 18.598 1.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 7.577 -44.151 17.767 1.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 6.676 -45.935 23.696 1.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 7.518 -46.394 23.468 1.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 6.768 -45.065 23.288 1.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 18.097 -42.147 20.876 1.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 17.453 -41.418 20.706 1.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 17.926 -42.788 20.158 1.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 12.947 -44.558 16.366 1.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 13.109 -44.709 17.324 1.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 13.821 -44.247 16.022 1.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 4.710 -39.214 12.962 1.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 3.968 -38.820 12.462 1.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 5.090 -38.448 13.461 1.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 7.251 -36.858 11.750 1.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 6.678 -36.773 12.553 1.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 6.886 -37.633 11.281 1.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 9.530 -41.556 18.121 1.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 10.301 -42.108 17.899 1.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 8.845 -42.201 18.383 1.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 2.974 -40.945 19.219 1.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 2.551 -40.142 18.889 1.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 3.894 -40.659 19.430 1.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 6.303 -39.314 10.740 1.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 5.841 -39.475 11.590 1.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 5.611 -39.442 10.066 1.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 2.005 -41.135 10.309 1.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 2.491 -41.429 11.117 1.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 2.655 -40.579 9.830 1.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 0.642 -42.952 20.817 1.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 0.938 -43.852 21.083 1.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 1.455 -42.508 20.533 1.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 8.918 -42.578 22.642 1.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 8.047 -42.555 22.213 1.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 9.247 -41.663 22.564 1.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 10.620 -44.357 18.267 1.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 11.425 -44.459 18.817 1.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 10.944 -44.461 17.359 1.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 1.170 -45.606 21.464 1.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 2.042 -45.796 21.061 1.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 1.071 -46.300 22.155 1.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 10.654 -44.547 23.647 1.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 11.574 -44.191 23.563 1.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 10.084 -43.834 23.278 1.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 13.276 -44.695 19.094 1.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 13.788 -43.901 19.359 1.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 13.832 -45.444 19.394 1.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 13.975 -43.261 26.339 1.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 13.658 -43.427 25.415 1.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 14.934 -43.083 26.231 1.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 4.152 -46.965 23.146 1.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 4.064 -46.605 22.241 1.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 5.060 -46.718 23.414 1.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 2.806 -37.895 11.481 1.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 1.861 -38.096 11.630 1.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 3.015 -37.198 12.159 1.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 15.486 -46.843 17.125 1.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 16.341 -46.490 16.808 1.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 15.489 -46.655 18.083 1.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 16.261 -44.444 21.970 1.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 16.118 -43.559 22.374 1.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 15.931 -45.064 22.645 1.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 17.183 -48.262 20.591 1.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 17.782 -47.497 20.758 1.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 17.732 -48.895 20.123 1.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 11.734 -42.122 16.248 1.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 11.977 -43.030 15.983 1.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 12.531 -41.796 16.729 1.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 1.417 -43.461 25.659 1.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 1.747 -44.093 25.015 1.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 2.229 -43.049 26.025 1.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 3.775 -39.210 9.334 1.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 3.669 -38.641 8.565 1.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 3.477 -38.651 10.091 1.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 14.921 -39.209 13.544 1.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 14.286 -39.722 13.002 1.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 14.537 -38.319 13.577 1.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 7.211 -49.281 34.528 1.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 6.540 -48.568 34.566 1.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 6.700 -50.079 34.380 1.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 5.015 -42.705 28.877 1.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 4.987 -42.324 29.782 1.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 5.697 -43.411 28.933 1.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 -1.891 -44.349 28.892 1.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 -2.269 -43.885 29.651 1.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 -2.560 -44.229 28.180 1.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 3.574 -43.924 33.480 1.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 2.766 -44.459 33.348 1.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 3.420 -43.468 34.325 1.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 12.345 -48.138 33.671 1.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 12.968 -47.440 33.408 1.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 12.793 -48.590 34.421 1.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 13.025 -48.758 29.706 1.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 13.736 -49.049 29.101 1.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 13.224 -49.215 30.543 1.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 3.350 -47.490 32.500 1.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 3.918 -47.688 33.269 1.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 3.946 -47.007 31.883 1.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 5.153 -45.932 31.143 1.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 5.646 -45.804 30.306 1.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 5.624 -45.365 31.784 1.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 6.589 -41.571 33.518 1.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 5.887 -40.998 33.157 1.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 6.688 -41.269 34.434 1.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 4.135 -42.102 31.409 1.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 3.874 -42.767 32.079 1.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 4.074 -41.253 31.885 1.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 11.521 -45.632 26.063 1.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 10.959 -45.255 25.354 1.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 12.292 -45.971 25.596 1.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 18.446 -47.098 36.235 1.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 18.979 -47.695 36.814 1.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 19.109 -46.716 35.616 1.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 11.784 -45.307 39.430 1.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 12.213 -45.559 40.271 1.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 11.953 -44.343 39.357 1.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 5.598 -40.318 35.923 1.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 5.819 -39.416 36.224 1.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 4.985 -40.173 35.170 1.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 5.086 -45.574 36.584 1.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 5.014 -44.595 36.471 1.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 5.899 -45.691 37.115 1.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 14.347 -44.627 28.720 1.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 14.153 -44.091 27.924 1.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 13.662 -45.338 28.702 1.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 5.372 -47.221 34.403 1.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 5.178 -46.756 35.249 1.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 5.748 -46.531 33.838 1.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 1.962 -42.898 35.792 1.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 1.909 -43.859 35.965 1.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 1.142 -42.533 36.211 1.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 0.892 -39.084 32.772 1.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 1.642 -38.614 33.210 1.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 1.101 -40.034 32.915 1.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 15.341 -51.526 33.933 1.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 16.292 -51.355 33.906 1.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 15.272 -52.489 33.950 1.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 4.740 -42.908 36.280 1.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 3.789 -42.705 36.352 1.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 5.168 -42.029 36.219 1.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 1.765 -47.260 30.107 1.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 2.043 -47.667 30.947 1.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 0.852 -47.578 29.974 1.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 11.728 -43.353 27.830 1.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 12.499 -43.179 27.256 1.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 11.391 -44.213 27.516 1.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 12.234 -46.334 28.725 1.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 11.846 -46.476 27.843 1.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 12.381 -47.244 29.076 1.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 9.244 -47.573 33.720 1.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 10.123 -47.986 33.701 1.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 8.653 -48.276 34.067 1.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 -0.853 -46.968 29.025 1.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 -1.342 -46.127 29.116 1.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 -0.953 -47.196 28.076 1.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 6.450 -45.009 28.937 1.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 6.329 -45.277 27.994 1.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 7.376 -45.282 29.149 1.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 5.808 -45.576 26.352 1.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 6.262 -45.738 25.502 1.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 4.894 -45.830 26.182 1.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 2.330 -45.631 36.105 1.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 3.257 -45.775 36.392 1.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 1.813 -45.657 36.942 1.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 8.779 -45.159 32.637 1.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 7.856 -44.935 32.873 1.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 8.927 -46.045 33.052 1.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 12.266 -42.620 39.636 1.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 13.216 -42.752 39.842 1.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 11.922 -42.149 40.407 1.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 15.204 -49.458 28.133 1.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 15.416 -48.737 27.494 1.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 15.034 -50.237 27.561 1.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 6.205 -44.285 33.087 1.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 6.515 -43.353 33.183 1.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 5.243 -44.232 33.296 1.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 0.710 -45.096 38.191 1.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 -0.079 -44.899 37.647 1.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 0.989 -44.216 38.537 1.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 7.788 -45.372 37.584 1.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 8.569 -45.972 37.563 1.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 7.957 -44.743 36.875 1.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 15.810 -47.515 26.317 1.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 15.563 -47.024 25.513 1.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 16.308 -46.864 26.847 1.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 -1.167 -46.852 26.261 1.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 -1.254 -45.887 26.091 1.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 -1.120 -47.240 25.384 1.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 8.919 -45.689 29.894 1.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 8.909 -45.529 30.860 1.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 9.843 -45.892 29.696 1.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 14.335 -46.118 33.363 1.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 15.137 -46.370 32.849 1.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 14.585 -46.295 34.285 1.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 1.531 -47.737 23.184 1.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 1.476 -48.641 23.503 1.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 2.480 -47.499 23.297 1.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 -0.331 -45.082 42.184 1.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 -0.548 -44.264 41.691 1.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 -1.204 -45.466 42.394 1.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 9.150 -44.612 40.055 1.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 8.514 -44.880 39.367 1.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 9.994 -45.007 39.767 1.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 0.214 -46.917 40.216 1.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 0.245 -46.330 40.998 1.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 0.518 -46.350 39.479 1.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 3.959 -42.679 26.303 1.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 4.733 -42.650 25.735 1.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 4.328 -42.669 27.212 1.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 13.168 -44.176 44.701 1.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 13.234 -44.012 45.666 1.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 13.936 -43.686 44.328 1.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 10.229 -46.609 37.603 1.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 10.679 -47.394 37.278 1.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 10.875 -46.201 38.222 1.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 14.645 -43.658 40.663 1.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 14.081 -44.314 41.132 1.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 15.520 -43.745 41.098 1.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 19.476 -45.183 26.589 1.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 18.561 -45.314 26.895 1.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 20.006 -45.737 27.191 1.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 20.515 -43.306 24.782 1.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 20.069 -43.974 25.348 1.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 21.445 -43.615 24.733 1.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 15.236 -45.402 24.438 1.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 14.441 -44.914 24.122 1.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 15.822 -44.703 24.769 1.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 16.821 -45.283 27.608 1.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 16.742 -44.494 27.035 1.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 16.070 -45.200 28.232 1.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 1.516 -45.753 33.508 1.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 2.087 -46.417 33.061 1.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 1.743 -45.845 34.462 1.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 19.831 -44.689 38.912 1.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 19.690 -43.790 38.560 1.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 18.958 -45.130 38.793 1.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 17.409 -45.859 38.434 1.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 17.670 -46.295 37.593 1.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 16.788 -46.473 38.836 1.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 14.002 -49.866 32.097 1.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 13.268 -49.439 32.580 1.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 14.376 -50.498 32.742 1.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 16.205 -47.795 34.908 1.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 16.492 -47.581 33.997 1.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 16.995 -47.593 35.460 1.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 14.084 -49.393 35.312 1.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 14.880 -48.815 35.305 1.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 14.422 -50.264 35.043 1.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 1.499 -42.420 41.940 1.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 1.804 -43.322 42.096 1.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 0.577 -42.531 41.635 1.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 1.908 -41.409 33.539 1.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 2.709 -40.829 33.597 1.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 1.903 -41.893 34.389 1.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 16.570 -41.097 45.808 1.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 16.274 -41.437 46.674 1.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 16.271 -41.773 45.174 1.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 11.139 -44.027 48.223 1.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 12.091 -44.003 47.998 1.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 11.006 -43.229 48.774 1.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 12.585 -35.555 42.731 1.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 13.309 -34.999 43.045 1.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 13.042 -36.251 42.188 1.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 4.902 -37.806 44.395 1.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 5.427 -36.983 44.446 1.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 4.804 -38.085 45.316 1.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 16.234 -39.831 49.411 1.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 17.111 -39.426 49.538 1.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 15.648 -39.071 49.250 1.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 13.115 -45.410 42.040 1.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 13.037 -44.930 42.887 1.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 12.935 -46.348 42.283 1.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 11.045 -45.906 44.777 1.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 11.782 -45.260 44.775 1.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 10.305 -45.421 45.180 1.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 10.295 -40.815 43.890 1.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 10.122 -41.541 43.258 1.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 10.720 -41.259 44.656 1.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 11.640 -39.525 51.468 1.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.699 -39.591 52.426 1.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 12.361 -38.893 51.226 1.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 9.322 -44.132 46.245 1.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 9.894 -44.420 46.991 1.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 8.813 -43.390 46.615 1.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 6.789 -39.653 47.493 1.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 5.869 -39.730 47.163 1.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 6.684 -39.309 48.413 1.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 15.996 -40.303 43.057 1.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 15.845 -39.818 43.883 1.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 15.996 -39.593 42.358 1.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 15.959 -42.243 48.240 1.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 15.960 -41.419 48.786 1.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 16.905 -42.497 48.195 1.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 11.184 -41.825 46.243 1.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 10.475 -41.416 46.782 1.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 11.011 -42.776 46.313 1.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 13.560 -43.199 47.237 1.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 14.435 -42.959 47.620 1.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 13.159 -42.345 46.999 1.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 6.426 -41.020 44.856 1.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 7.024 -40.696 45.550 1.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 6.821 -41.883 44.581 1.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 4.336 -39.942 46.181 1.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 3.505 -39.960 45.692 1.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 4.956 -40.461 45.622 1.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 7.731 -43.237 44.068 1.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 8.254 -43.805 44.661 1.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 8.317 -43.097 43.294 1.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 9.418 -42.705 41.990 1.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 9.448 -42.028 41.274 1.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 9.342 -43.557 41.501 1.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 15.380 -42.832 43.833 1.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 15.948 -43.380 43.258 1.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 15.417 -41.937 43.425 1.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 1.079 -38.712 40.979 1.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 1.112 -38.146 40.176 1.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 0.586 -38.165 41.638 1.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 17.068 -44.010 41.936 1.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 17.613 -43.228 42.189 1.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 17.717 -44.706 41.772 1.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 18.287 -41.762 42.830 1.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 17.514 -41.168 42.966 1.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 18.827 -41.299 42.149 1.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 10.979 -38.555 45.416 1.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 10.924 -39.338 44.841 1.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 10.775 -37.804 44.818 1.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 2.922 -40.164 42.625 1.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 2.353 -39.510 42.172 1.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 2.472 -41.021 42.458 1.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 15.010 -20.333 -0.773 1.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 14.492 -20.693 -1.517 1.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 15.207 -19.419 -1.045 1.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 16.017 -21.952 1.171 1.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 16.307 -21.269 1.795 1.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 15.677 -21.440 0.403 1.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 9.034 -27.147 -0.385 1.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 8.241 -27.457 0.065 1.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 8.890 -27.376 -1.308 1.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 12.925 -25.930 2.624 1.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 12.237 -25.831 1.931 1.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 13.118 -26.889 2.634 1.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 7.516 -23.252 4.182 1.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 6.909 -23.293 4.955 1.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 6.984 -22.847 3.487 1.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 18.885 -23.392 5.778 1.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 19.581 -24.080 5.788 1.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 18.856 -23.099 4.840 1.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 11.388 -22.590 2.744 1.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 11.926 -22.900 1.983 1.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 10.796 -23.348 2.941 1.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 14.447 -27.257 0.322 1.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 14.550 -26.288 0.409 1.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 13.895 -27.368 -0.458 1.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 9.675 -24.701 3.158 1.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 9.956 -25.194 3.962 1.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 8.834 -24.275 3.424 1.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 17.014 -26.873 1.200 1.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 16.786 -25.993 0.864 1.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 16.226 -27.413 0.995 1.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 10.859 -18.136 -2.402 1.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 10.931 -17.174 -2.238 1.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 10.255 -18.201 -3.157 1.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 10.875 -25.583 0.863 1.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 10.329 -25.293 1.628 1.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 10.274 -26.168 0.349 1.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 13.360 -20.109 -2.977 1.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 13.715 -19.226 -2.757 1.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 12.996 -20.005 -3.863 1.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 2.651 -20.470 9.144 1.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 2.807 -20.478 10.097 1.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 1.877 -21.043 9.027 1.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 -1.245 -25.664 3.817 1.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 -0.898 -24.817 4.178 1.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 -1.768 -25.400 3.057 1.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 10.269 -25.528 5.692 1.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 10.194 -24.581 5.931 1.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 10.607 -25.956 6.512 1.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 15.130 -24.491 0.665 1.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 15.616 -23.653 0.848 1.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 14.209 -24.188 0.473 1.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 12.764 -27.200 10.065 1.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 13.676 -27.179 10.388 1.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 12.227 -27.317 10.863 1.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 14.301 -32.163 7.183 1.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 14.471 -32.666 7.993 1.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 13.322 -32.183 7.087 1.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 13.610 -28.596 2.739 1.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 13.829 -28.672 1.795 1.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 14.442 -28.858 3.199 1.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 18.842 -20.167 1.903 1.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 19.438 -19.581 2.415 1.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 17.967 -19.720 1.947 1.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 16.341 -19.230 2.445 1.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 16.591 -18.326 2.732 1.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 15.416 -19.315 2.725 1.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 20.333 -21.695 0.224 1.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 19.725 -21.104 0.719 1.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 21.115 -21.152 0.073 1.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 13.353 -19.347 1.201 1.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 13.918 -19.802 0.541 1.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 12.469 -19.317 0.781 1.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 16.082 -29.091 3.780 1.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 16.466 -28.475 4.441 1.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 16.842 -29.315 3.197 1.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 13.203 -20.722 3.578 1.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 12.525 -21.420 3.449 1.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 13.232 -20.256 2.716 1.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 11.596 -15.524 1.320 1.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 10.834 -16.089 1.542 1.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 12.360 -15.983 1.724 1.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 12.621 -23.517 0.455 1.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 11.910 -24.183 0.334 1.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 12.353 -22.766 -0.130 1.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 11.904 -21.338 -0.948 1.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 11.341 -20.636 -0.577 1.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 12.281 -20.940 -1.758 1.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 3.182 -31.424 12.998 1.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 2.971 -32.312 12.631 1.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 3.547 -31.613 13.885 1.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 10.981 -26.381 8.174 1.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 11.004 -25.456 8.501 1.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 11.679 -26.833 8.703 1.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 9.238 -28.576 8.005 1.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 9.805 -27.774 8.066 1.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 9.687 -29.134 7.333 1.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 17.257 -29.340 7.705 1.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 16.912 -29.966 7.028 1.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 17.151 -29.825 8.552 1.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 16.307 -31.035 5.778 1.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 15.502 -31.446 6.182 1.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 15.959 -30.514 5.029 1.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 17.367 -37.914 13.806 1.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 16.588 -38.449 13.558 1.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 17.802 -38.438 14.503 1.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 5.598 -22.858 14.898 1.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 4.931 -22.609 15.556 1.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 6.320 -22.213 15.029 1.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 11.525 -28.198 4.512 1.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 12.274 -28.407 3.913 1.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 11.522 -27.232 4.561 1.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 5.402 -29.327 11.065 1.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 5.616 -29.503 12.011 1.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 6.170 -28.808 10.740 1.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 10.125 -27.719 11.736 1.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 9.252 -27.408 11.435 1.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 10.132 -28.654 11.501 1.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 1.499 -34.741 14.798 1.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 2.134 -35.357 14.377 1.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 1.057 -34.315 14.058 1.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 1.127 -30.487 6.217 1.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 0.904 -31.399 5.980 1.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 0.556 -30.298 6.981 1.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 5.952 -29.909 13.637 1.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 5.240 -30.401 14.085 1.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 6.740 -30.114 14.154 1.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 5.284 -31.548 9.450 1.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 5.172 -30.782 10.053 1.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 4.719 -31.330 8.677 1.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 5.836 -27.902 6.100 1.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 4.918 -28.161 5.859 1.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 6.218 -28.716 6.491 1.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 2.749 -33.940 11.958 1.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 2.969 -34.766 12.442 1.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 3.170 -34.058 11.082 1.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 6.855 -24.258 8.581 1.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 7.350 -24.767 7.901 1.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 7.550 -23.781 9.080 1.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 10.161 -30.042 5.900 1.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 10.727 -29.360 5.456 1.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 9.563 -30.338 5.204 1.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 11.197 -34.760 12.568 1.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 12.042 -34.671 12.082 1.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 11.134 -33.932 13.093 1.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 9.563 -22.827 6.016 1.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 9.123 -22.159 6.573 1.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 8.906 -23.021 5.315 1.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 18.657 -33.077 10.398 1.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 18.906 -33.725 11.096 1.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 19.502 -32.915 9.913 1.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 3.243 -28.020 9.095 1.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 2.729 -27.705 8.329 1.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 4.104 -27.557 9.012 1.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 1.816 -26.714 7.035 1.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 1.787 -25.961 7.664 1.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 0.879 -26.802 6.728 1.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 8.846 -23.616 12.422 1.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 9.614 -24.167 12.693 1.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 8.202 -23.738 13.132 1.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 15.969 -27.051 10.710 1.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 16.136 -27.276 9.785 1.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 16.859 -27.074 11.126 1.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 7.611 -20.759 6.578 1.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 7.617 -20.389 5.670 1.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 6.892 -21.428 6.560 1.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 5.583 -26.686 8.655 1.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 5.879 -25.749 8.702 1.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 5.710 -26.930 7.717 1.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 11.559 -32.138 6.990 1.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 10.879 -32.409 7.613 1.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 11.179 -31.352 6.546 1.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 12.241 -22.699 6.741 1.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 12.035 -23.146 7.588 1.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 11.391 -22.699 6.261 1.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 6.861 -30.118 7.434 1.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 7.689 -29.662 7.682 1.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 6.672 -30.701 8.193 1.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 8.611 -34.387 11.583 1.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 8.113 -35.229 11.618 1.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 9.516 -34.632 11.866 1.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 11.284 -23.751 9.103 1.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 11.847 -23.315 9.779 1.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 10.377 -23.433 9.309 1.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 4.311 -34.106 9.665 1.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 4.732 -33.215 9.650 1.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 5.039 -34.708 9.865 1.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 3.435 -24.202 6.501 1.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 2.992 -24.231 7.370 1.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 3.204 -25.045 6.090 1.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 3.192 -28.772 5.845 1.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 2.751 -27.957 6.165 1.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 2.448 -29.409 5.728 1.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 1.750 -24.630 8.764 1.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 1.481 -23.722 9.018 1.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 1.395 -25.189 9.490 1.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 5.876 -22.902 6.415 1.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 4.952 -23.233 6.315 1.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 6.185 -23.318 7.251 1.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 7.629 -27.935 10.116 1.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 6.972 -27.347 9.690 1.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 8.246 -28.169 9.390 1.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 7.568 -25.762 6.436 1.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 8.450 -25.910 6.054 1.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 7.036 -26.519 6.115 1.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 17.509 -27.510 5.526 1.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 17.464 -27.980 6.381 1.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 18.438 -27.638 5.230 1.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 4.211 -18.567 7.811 1.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 3.877 -17.851 8.395 1.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 3.707 -19.363 8.103 1.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 -0.388 -23.498 5.230 1.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 0.445 -23.560 5.708 1.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 -1.068 -23.466 5.932 1.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 -1.280 -18.157 10.975 1.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 -2.059 -17.787 11.441 1.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 -1.642 -18.911 10.474 1.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 0.943 -21.194 12.416 1.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 1.545 -21.587 13.057 1.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 0.430 -20.539 12.944 1.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 19.952 -28.870 7.611 1.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 19.021 -29.143 7.746 1.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 19.890 -27.911 7.414 1.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 14.936 -25.714 12.886 1.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 15.177 -26.062 12.002 1.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 15.475 -26.230 13.495 1.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 18.590 -32.441 5.330 1.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 18.477 -33.217 5.885 1.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 17.761 -31.928 5.462 1.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 17.231 -30.785 10.081 1.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 17.803 -31.588 10.147 1.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 17.476 -30.259 10.851 1.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 15.547 -33.060 9.819 1.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 15.706 -32.100 9.867 1.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 16.436 -33.447 9.875 1.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 13.716 -34.855 11.374 1.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 14.337 -35.025 12.107 1.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 14.209 -34.261 10.774 1.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 4.221 -31.184 6.955 1.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 5.128 -30.950 6.693 1.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 3.680 -30.436 6.634 1.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 2.645 -33.460 7.503 1.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 3.154 -33.827 8.252 1.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 3.183 -32.698 7.201 1.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 12.648 -37.277 12.294 1.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 13.108 -36.587 11.776 1.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 11.871 -36.817 12.655 1.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 0.605 -22.461 10.005 1.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 -0.366 -22.569 9.900 1.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 0.701 -21.982 10.864 1.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 8.452 -31.650 11.577 1.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 8.489 -32.632 11.485 1.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 7.553 -31.425 11.323 1.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 16.283 -26.443 33.556 1.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 16.965 -26.763 34.181 1.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 16.051 -27.250 33.019 1.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 4.184 -23.523 34.554 1.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 4.055 -23.598 35.521 1.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 3.621 -24.212 34.188 1.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 17.121 -22.251 37.404 1.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 17.043 -23.222 37.269 1.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 16.610 -21.861 36.651 1.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 -0.882 -26.788 35.336 1.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 -0.779 -27.765 35.466 1.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 -0.892 -26.675 34.365 1.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 13.165 -23.667 39.801 1.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 13.622 -22.824 39.894 1.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 12.294 -23.423 39.406 1.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 3.570 -24.156 37.196 1.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 2.846 -24.646 36.746 1.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 3.680 -24.628 38.043 1.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 16.575 -24.874 36.805 1.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 15.838 -25.344 37.236 1.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 17.139 -25.593 36.440 1.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 1.221 -20.797 39.492 1.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 2.075 -21.097 39.876 1.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 0.813 -21.625 39.150 1.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 3.684 -21.553 40.527 1.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 4.038 -22.469 40.649 1.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 4.096 -21.048 41.235 1.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 11.174 -27.959 39.426 1.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 11.636 -28.592 40.005 1.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 11.749 -27.905 38.632 1.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 3.263 -25.908 39.405 1.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 3.540 -26.831 39.370 1.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 2.286 -25.947 39.303 1.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 1.772 -32.777 40.744 1.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 1.635 -32.119 40.028 1.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 0.865 -33.087 40.958 1.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 13.285 -27.868 37.585 1.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 13.479 -27.924 36.628 1.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 13.798 -27.095 37.882 1.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 19.108 -31.713 39.536 1.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 18.807 -32.627 39.351 1.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 18.648 -31.477 40.373 1.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 4.841 -23.996 40.777 1.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 4.384 -24.756 40.368 1.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 5.750 -24.316 40.930 1.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 6.764 -22.381 34.848 1.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 6.730 -21.548 34.347 1.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 5.854 -22.735 34.785 1.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 9.023 -21.921 36.609 1.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 8.639 -22.291 37.434 1.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 8.327 -22.077 35.936 1.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 14.655 -23.529 35.415 1.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 14.856 -22.566 35.427 1.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 15.473 -23.949 35.748 1.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 16.792 -23.827 33.216 1.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 15.969 -23.452 33.563 1.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 16.617 -24.803 33.193 1.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 14.133 -25.290 44.347 1.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 14.713 -24.527 44.382 1.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 13.795 -25.293 43.426 1.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 11.579 -30.937 48.593 1.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 11.924 -31.148 47.696 1.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 12.366 -30.893 49.141 1.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 18.272 -37.890 49.201 1.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 18.625 -38.366 48.425 1.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 19.048 -37.406 49.560 1.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 8.314 -37.168 47.130 1.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 9.160 -37.474 47.507 1.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 7.755 -37.963 47.125 1.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 -0.976 -34.142 46.026 1.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 -0.863 -34.044 46.978 1.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 -1.245 -35.083 45.914 1.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 3.741 -32.057 42.527 1.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 3.789 -32.806 43.138 1.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 2.990 -32.281 41.930 1.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 9.189 -24.895 43.311 1.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 9.903 -25.442 42.928 1.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 9.173 -25.144 44.239 1.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 15.558 -37.143 49.236 1.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 16.531 -37.272 49.227 1.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 15.433 -36.247 48.837 1.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 9.253 -28.259 44.017 1.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 8.539 -28.486 44.658 1.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 10.012 -28.824 44.300 1.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 11.388 -29.736 44.833 1.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 12.131 -29.104 44.761 1.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 11.745 -30.463 45.390 1.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 7.171 -29.210 45.492 1.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 6.966 -29.763 46.251 1.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 6.491 -29.449 44.827 1.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 4.554 -34.068 45.732 1.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 4.846 -33.871 46.625 1.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 3.593 -34.269 45.832 1.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 10.408 -33.166 46.982 1.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 11.222 -32.808 46.577 1.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 10.362 -32.724 47.842 1.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 1.918 -34.545 46.308 1.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 1.106 -34.212 45.901 1.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 1.615 -35.293 46.867 1.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 8.891 -41.481 47.710 1.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 8.168 -40.818 47.690 1.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 9.232 -41.434 48.617 1.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 10.153 -36.571 43.719 1.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 10.965 -36.167 43.334 1.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 9.748 -35.847 44.239 1.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 9.306 -38.676 50.310 1.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 10.047 -38.958 50.880 1.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 9.741 -38.413 49.472 1.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 6.236 -36.739 41.795 1.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 6.610 -36.061 41.199 1.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 6.285 -36.328 42.684 1.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 8.821 -34.944 45.546 1.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 9.376 -34.300 46.043 1.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 8.670 -35.676 46.187 1.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 3.683 -34.804 40.367 1.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 2.971 -34.133 40.377 1.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 3.453 -35.404 41.082 1.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 10.779 -26.850 42.176 1.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 10.577 -27.124 41.263 1.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 10.242 -27.452 42.737 1.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.168 -25.624 41.788 1.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 13.126 -24.966 41.059 1.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 12.230 -25.902 41.915 1.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 -1.928 -32.981 43.720 1.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 -1.467 -33.328 44.520 1.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 -2.556 -32.339 44.071 1.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 14.257 -28.142 41.937 1.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 13.607 -28.724 41.490 1.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 13.918 -27.232 41.773 1.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 13.450 -27.926 44.569 1.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 13.614 -26.961 44.684 1.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 13.757 -28.110 43.660 1.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 8.594 -27.148 38.425 1.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 7.890 -27.741 38.761 1.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 9.412 -27.508 38.813 1.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 7.205 -27.615 42.267 1.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 6.481 -28.029 42.769 1.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 7.992 -27.739 42.840 1.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 10.135 -24.702 39.586 1.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 9.267 -24.859 39.993 1.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 10.060 -23.812 39.200 1.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 14.135 -28.660 47.068 1.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 13.383 -28.365 47.596 1.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 13.850 -28.501 46.138 1.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 5.888 -31.261 41.015 1.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 6.187 -32.049 40.540 1.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 5.050 -31.546 41.446 1.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 7.550 -24.946 41.100 1.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 7.365 -25.885 41.290 1.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 8.098 -24.654 41.866 1.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 13.967 -25.217 37.715 1.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 13.771 -24.650 38.495 1.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 13.985 -24.590 36.962 1.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 6.896 -28.850 39.824 1.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 6.486 -29.689 40.105 1.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 7.005 -28.347 40.656 1.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 5.521 -29.812 43.363 1.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 5.909 -30.254 42.582 1.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 4.646 -30.226 43.452 1.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 17.625 -28.170 40.296 1.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 16.733 -28.064 39.956 1.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 17.502 -28.313 41.253 1.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 16.543 -28.636 45.604 1.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 15.798 -28.517 46.227 1.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 17.341 -28.528 46.159 1.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 14.660 -30.996 48.352 1.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 14.504 -30.126 47.928 1.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 14.281 -31.643 47.712 1.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 16.736 -28.829 42.873 1.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 15.848 -28.553 42.550 1.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 16.682 -28.708 43.852 1.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 19.136 -32.989 48.875 1.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 19.478 -33.095 49.794 1.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 18.168 -32.878 48.995 1.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 -1.681 -36.775 45.919 1.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 -1.923 -37.727 45.989 1.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 -2.093 -36.488 45.074 1.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 6.622 -38.685 50.008 1.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 7.594 -38.685 50.182 1.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 6.271 -38.057 50.643 1.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 10.774 -38.127 48.053 1.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 11.608 -37.677 48.233 1.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 10.852 -38.406 47.105 1.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 15.402 -34.610 48.264 1.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 15.873 -33.928 48.778 1.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 14.986 -34.110 47.526 1.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 0.515 -36.511 47.628 1.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 -0.228 -36.717 47.024 1.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 0.563 -37.274 48.213 1.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 -0.566 -37.455 42.710 1.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 -1.305 -38.095 42.792 1.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 -0.904 -36.650 43.139 1.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 6.414 -35.452 44.248 1.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 7.277 -35.276 44.685 1.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 5.777 -34.884 44.738 1.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 11.226 -41.748 49.828 1.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 11.908 -42.178 50.355 1.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 11.208 -40.831 50.168 1.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 8.392 -38.824 43.497 1.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 8.864 -37.967 43.535 1.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 9.086 -39.487 43.691 1.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 13.577 -8.744 -2.428 1.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 14.095 -8.430 -3.198 1.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 12.933 -9.371 -2.811 1.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 2.753 -11.900 -6.983 1.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 2.506 -11.829 -7.939 1.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 2.746 -12.849 -6.809 1.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 1.270 -9.890 -5.918 1.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 1.466 -9.168 -6.551 1.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 1.779 -10.657 -6.268 1.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 11.884 2.908 -8.715 1.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 12.410 3.505 -9.257 1.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 11.774 2.122 -9.263 1.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 15.938 -16.292 0.072 1.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 16.744 -15.737 0.175 1.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 15.745 -16.592 0.972 1.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 6.622 -12.442 -5.959 1.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 7.505 -12.050 -5.741 1.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 6.773 -12.918 -6.784 1.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 1.181 -11.050 -3.372 1.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 1.169 -10.645 -4.263 1.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 0.411 -10.673 -2.930 1.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 4.813 -10.385 -6.011 1.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 5.552 -11.025 -5.970 1.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 4.069 -10.907 -6.379 1.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 1.255 -14.195 -3.318 1.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 0.787 -13.357 -3.442 1.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 0.556 -14.854 -3.253 1.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 8.993 -11.288 -5.521 1.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 9.930 -11.469 -5.734 1.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 8.783 -10.471 -6.034 1.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 10.906 -13.628 -0.466 1.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 10.994 -14.251 -1.221 1.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 11.234 -14.147 0.309 1.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 3.660 -13.128 -2.668 1.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 3.561 -13.017 -1.697 1.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 2.818 -13.558 -2.947 1.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 2.060 -5.456 -8.822 1.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 2.910 -5.022 -8.689 1.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 1.532 -4.798 -9.325 1.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 14.513 -17.698 -1.810 1.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 13.677 -17.222 -1.733 1.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 15.111 -17.231 -1.177 1.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 12.624 -1.782 -9.126 1.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 13.339 -2.005 -9.726 1.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 12.984 -1.044 -8.584 1.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 15.871 -2.776 -4.952 1.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 14.959 -2.623 -4.616 1.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 16.109 -3.655 -4.600 1.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 8.761 -4.539 -8.411 1.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 9.316 -3.745 -8.187 1.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 8.357 -4.312 -9.257 1.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 11.676 -11.698 -5.848 1.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 11.968 -12.617 -5.777 1.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 12.347 -11.277 -6.399 1.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 3.968 -7.821 -6.242 1.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 3.295 -7.898 -6.951 1.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 4.345 -8.731 -6.170 1.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 8.296 -9.094 -6.908 1.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 8.805 -8.282 -7.114 1.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 7.425 -8.932 -7.290 1.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 0.272 -9.427 -9.819 1.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 -0.062 -9.169 -10.685 1.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 -0.468 -9.222 -9.206 1.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 16.994 -4.566 2.446 1.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 17.131 -4.546 3.414 1.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 17.632 -3.915 2.097 1.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 5.213 -3.106 -5.523 1.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 5.301 -2.195 -5.881 1.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 6.022 -3.563 -5.828 1.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 13.420 0.197 -7.444 1.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 14.248 0.211 -6.905 1.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 12.900 0.948 -7.098 1.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 14.387 -18.457 4.416 1.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 15.084 -18.684 5.067 1.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 13.826 -19.262 4.375 1.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 6.234 -13.493 -3.434 1.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 5.276 -13.419 -3.214 1.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 6.292 -13.180 -4.359 1.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 1.921 -11.623 -9.530 1.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 1.358 -10.831 -9.664 1.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 1.847 -12.108 -10.355 1.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 10.693 -15.426 -2.479 1.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 9.737 -15.352 -2.261 1.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 10.703 -15.537 -3.441 1.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 8.241 -10.829 1.208 1.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 8.461 -11.238 0.342 1.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 7.514 -11.373 1.548 1.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 6.079 -12.932 1.615 1.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 5.471 -12.446 1.031 1.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 5.732 -13.854 1.601 1.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 8.848 -16.603 -4.305 1.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 8.386 -16.144 -3.571 1.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 8.182 -16.676 -4.995 1.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 -1.439 -9.672 -5.634 1.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 -0.472 -9.814 -5.682 1.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 -1.669 -9.327 -6.514 1.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 7.974 -15.143 -2.151 1.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 7.273 -14.575 -2.557 1.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 7.868 -15.002 -1.187 1.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 8.849 -11.970 -1.193 1.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 9.648 -12.485 -0.947 1.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 8.556 -12.370 -2.022 1.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 8.217 -14.539 0.604 1.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 9.051 -14.038 0.640 1.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 7.556 -13.930 0.987 1.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 9.815 -6.844 -7.378 1.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 10.587 -6.986 -7.938 1.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 9.388 -6.038 -7.757 1.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 3.690 -12.836 0.057 1.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 3.114 -12.569 0.803 1.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 3.976 -13.745 0.292 1.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 14.589 -7.699 3.330 1.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 15.295 -7.445 2.689 1.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 13.892 -8.097 2.768 1.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 7.377 -4.781 -6.072 1.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 8.131 -5.145 -5.573 1.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 7.733 -4.644 -6.976 1.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 5.504 -6.200 -4.702 1.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 5.044 -6.711 -5.405 1.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 6.178 -5.675 -5.187 1.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 5.438 -0.479 -6.137 1.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 6.375 -0.290 -5.927 1.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 5.081 0.387 -6.446 1.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 8.353 -2.965 -1.330 1.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 8.211 -2.845 -0.364 1.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 8.922 -2.215 -1.579 1.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 4.717 -15.193 1.003 1.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 4.256 -15.664 1.741 1.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 4.983 -15.901 0.405 1.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 10.308 -2.420 -7.851 1.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 11.111 -2.233 -8.390 1.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 10.359 -1.783 -7.125 1.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 9.355 -6.277 -4.679 1.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 9.619 -6.564 -5.580 1.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 9.666 -6.995 -4.099 1.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 13.369 -2.316 -3.934 1.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 12.817 -1.684 -4.433 1.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 13.248 -2.061 -3.007 1.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 1.795 -8.011 -7.933 1.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 1.467 -8.527 -8.698 1.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 1.873 -7.089 -8.282 1.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 -3.272 -3.581 0.689 1.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 -3.845 -2.994 1.222 1.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 -3.235 -3.142 -0.189 1.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 6.262 -2.031 5.010 1.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 6.891 -1.588 4.406 1.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 5.469 -1.477 4.969 1.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 11.933 -4.265 3.997 1.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 12.821 -4.603 4.273 1.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 11.421 -4.231 4.831 1.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 3.812 -9.155 4.250 1.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 4.051 -10.104 4.249 1.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 3.486 -8.989 3.344 1.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 6.017 -12.574 6.467 1.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 5.634 -13.341 6.943 1.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 5.415 -12.434 5.710 1.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 6.988 -4.750 5.292 1.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 6.068 -5.048 5.314 1.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 6.921 -3.791 5.101 1.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 9.218 -17.057 1.334 1.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 8.811 -16.225 1.006 1.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 8.700 -17.280 2.115 1.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 10.747 -19.034 0.176 1.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 10.213 -18.329 0.611 1.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 10.752 -18.776 -0.774 1.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 4.869 -17.956 5.007 1.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 5.713 -18.423 4.923 1.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 4.541 -18.210 5.892 1.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 9.742 -20.333 2.676 1.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 10.278 -21.144 2.806 1.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 10.069 -19.966 1.837 1.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 9.968 -14.749 4.284 1.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 10.340 -14.154 3.606 1.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 9.484 -14.151 4.885 1.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 -1.452 0.808 -5.029 1.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 -1.600 0.507 -4.106 1.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 -0.987 0.075 -5.442 1.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 -5.401 -0.671 -2.564 1.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 -5.891 0.098 -2.257 1.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 -5.524 -0.667 -3.519 1.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 18.092 -2.826 -1.748 1.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 18.425 -3.721 -1.996 1.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 18.280 -2.282 -2.524 1.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 19.686 -5.685 0.393 1.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 20.407 -5.848 1.012 1.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 19.308 -4.826 0.685 1.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 14.374 -5.258 4.574 1.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 15.300 -5.066 4.814 1.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 14.410 -6.161 4.196 1.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 17.427 -13.367 -4.139 1.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 17.230 -14.327 -4.062 1.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 17.855 -13.284 -4.994 1.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 15.049 -7.435 -4.344 1.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 15.264 -7.498 -5.278 1.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 15.582 -6.670 -4.026 1.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 12.105 -11.225 -0.815 1.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 11.883 -11.035 -1.749 1.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 11.699 -12.101 -0.645 1.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 3.595 -16.793 2.869 1.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 4.109 -17.125 3.642 1.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 2.806 -17.342 2.861 1.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 -2.830 -10.030 -3.338 1.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 -2.285 -9.846 -4.140 1.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 -3.528 -10.608 -3.658 1.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 18.037 0.706 -6.315 1.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 18.839 1.106 -6.655 1.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 18.155 -0.255 -6.483 1.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 0.434 -4.557 3.639 1.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 -0.397 -4.969 3.342 1.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 1.076 -5.294 3.655 1.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 13.156 -2.437 -0.837 1.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 12.412 -1.835 -0.707 1.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 13.262 -2.879 0.040 1.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 7.675 -5.221 -2.780 1.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 8.022 -4.364 -2.458 1.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 8.294 -5.482 -3.490 1.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 9.964 -2.202 -3.942 1.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 10.132 -1.671 -3.134 1.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 10.500 -1.756 -4.637 1.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 0.851 -3.400 -10.231 1.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 0.713 -3.311 -11.181 1.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 0.648 -2.527 -9.878 1.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 7.787 -19.297 4.287 1.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 8.379 -19.765 3.650 1.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 8.309 -18.547 4.583 1.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 15.473 -3.756 -1.552 1.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 14.721 -3.160 -1.349 1.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 16.264 -3.188 -1.454 1.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 10.279 -14.583 8.747 1.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 9.561 -14.127 9.229 1.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 9.812 -15.267 8.226 1.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 17.327 -15.005 15.025 1.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 17.449 -15.941 14.737 1.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 16.913 -15.084 15.913 1.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 16.004 -11.262 10.717 1.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 16.207 -10.616 11.417 1.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 16.728 -11.918 10.785 1.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 12.958 -18.628 13.632 1.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 13.895 -18.339 13.572 1.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 13.021 -19.590 13.751 1.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 6.837 -17.877 12.531 1.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 5.859 -17.820 12.495 1.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 7.050 -17.745 13.474 1.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 8.723 -12.819 12.249 1.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 8.614 -13.665 11.781 1.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 8.712 -13.062 13.179 1.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 1.696 -17.700 19.513 1.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 0.781 -17.359 19.443 1.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 2.004 -17.374 20.386 1.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 14.715 -10.284 8.505 1.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 14.371 -9.455 8.850 1.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 15.193 -10.682 9.271 1.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 2.490 -4.708 6.411 1.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 3.126 -4.008 6.690 1.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 1.622 -4.292 6.503 1.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 17.863 -10.111 7.608 1.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 18.246 -10.048 8.516 1.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 17.040 -9.605 7.662 1.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 14.295 -10.335 21.152 1.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 14.035 -9.698 20.479 1.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 14.512 -9.776 21.939 1.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 13.506 -10.698 6.073 1.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 13.964 -10.577 6.936 1.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 12.696 -11.198 6.302 1.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 19.561 -9.284 19.626 1.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 18.696 -9.681 19.872 1.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 19.624 -9.433 18.649 1.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 12.621 -13.001 19.910 1.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 12.086 -12.608 20.631 1.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 13.392 -12.417 19.849 1.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 8.425 -7.977 10.097 1.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 7.538 -7.648 9.827 1.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 8.263 -8.906 10.364 1.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 5.938 -7.115 9.386 1.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 5.226 -7.245 10.019 1.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 5.484 -6.877 8.558 1.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 18.085 -4.155 20.474 1.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 17.532 -4.314 21.261 1.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 18.472 -5.031 20.276 1.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 18.412 -10.954 22.841 1.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 19.264 -11.152 22.389 1.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 18.668 -10.788 23.769 1.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 3.258 -17.313 15.132 1.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 4.223 -17.146 15.276 1.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 3.027 -17.981 15.825 1.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 8.167 -10.730 10.563 1.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 7.597 -11.294 10.023 1.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 8.478 -11.328 11.280 1.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 8.444 -15.744 11.656 1.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 7.813 -16.440 11.931 1.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 9.293 -16.025 12.052 1.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 4.933 -15.986 18.290 1.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 4.302 -15.414 17.803 1.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 4.369 -16.631 18.735 1.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 8.740 -16.032 7.000 1.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 9.067 -16.151 6.097 1.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 8.121 -16.782 7.135 1.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 11.052 -13.696 17.568 1.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 11.698 -13.546 18.281 1.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 10.261 -13.176 17.851 1.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 8.054 -19.921 11.016 1.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 7.559 -19.668 10.232 1.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 7.782 -19.263 11.690 1.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 5.422 -14.960 7.934 1.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 4.717 -15.384 8.459 1.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 5.868 -15.698 7.497 1.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 7.668 -14.019 9.541 1.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 6.852 -14.247 9.062 1.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 7.768 -14.733 10.201 1.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 8.798 -13.223 6.275 1.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 7.926 -12.780 6.314 1.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 8.689 -14.007 6.848 1.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 10.639 -16.703 13.326 1.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 11.387 -17.326 13.411 1.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 10.930 -15.909 13.831 1.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 3.895 -17.512 12.380 1.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 3.775 -17.485 13.349 1.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 2.979 -17.560 12.031 1.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 9.101 -15.706 17.306 1.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 9.854 -15.105 17.440 1.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 8.442 -15.417 17.973 1.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 9.719 -10.259 8.342 1.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 9.472 -10.284 9.289 1.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 8.851 -10.254 7.874 1.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 19.679 -9.672 16.948 1.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 20.399 -9.184 16.502 1.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 19.213 -10.124 16.218 1.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 11.186 -11.953 6.869 1.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 10.780 -11.399 7.575 1.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 10.432 -12.478 6.522 1.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 3.314 -13.362 20.681 1.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 3.470 -13.494 21.640 1.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 2.396 -13.676 20.546 1.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 7.632 -10.428 20.032 1.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 7.483 -9.527 19.731 1.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 8.241 -10.330 20.799 1.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 19.147 -6.711 20.585 1.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 19.331 -7.491 20.023 1.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 18.448 -7.023 21.201 1.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 17.309 -9.450 12.560 1.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 17.783 -9.969 13.248 1.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 17.019 -8.658 13.024 1.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 5.865 -8.219 5.793 1.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 5.468 -7.472 6.284 1.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 5.130 -8.556 5.233 1.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 10.717 -6.594 10.380 1.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 10.717 -6.394 11.319 1.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 9.901 -7.138 10.250 1.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 17.159 -5.290 5.164 1.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 17.422 -6.193 4.866 1.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 17.398 -5.272 6.096 1.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 2.382 -16.553 21.977 1.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 3.094 -15.902 22.047 1.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 1.727 -16.257 22.622 1.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 17.831 -7.837 4.397 1.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 18.150 -8.275 3.583 1.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 17.113 -8.428 4.718 1.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 4.781 -6.044 7.106 1.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 3.844 -5.840 6.912 1.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 5.152 -5.190 7.393 1.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 14.239 -15.263 19.413 1.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 13.795 -16.003 19.854 1.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 13.660 -14.501 19.591 1.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 11.279 -5.804 7.875 1.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 11.025 -6.056 8.798 1.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 12.239 -5.765 7.899 1.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 8.858 -12.540 18.669 1.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 8.399 -11.789 19.096 1.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 8.251 -13.297 18.803 1.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 9.952 -1.377 5.450 1.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 9.509 -0.988 6.213 1.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 10.231 -2.266 5.764 1.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 3.498 -16.640 9.658 1.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 3.944 -16.821 10.507 1.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 2.551 -16.630 9.888 1.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 20.645 -16.537 13.516 1.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 19.807 -16.420 13.025 1.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 20.474 -17.311 14.098 1.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 18.435 -10.859 14.676 1.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 17.629 -11.244 15.091 1.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 18.887 -11.633 14.279 1.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 4.610 -3.104 7.082 1.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 5.356 -2.806 6.530 1.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 4.422 -2.329 7.667 1.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 7.364 -10.234 6.968 1.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 6.786 -11.021 6.869 1.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 6.816 -9.492 6.640 1.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 2.604 -18.914 17.235 1.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 2.131 -19.753 17.175 1.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 2.259 -18.499 18.058 1.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 10.148 -4.046 6.142 1.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 10.519 -4.619 6.857 1.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 9.212 -4.298 6.097 1.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 13.357 -3.690 1.627 1.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 14.197 -4.041 1.956 1.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 12.760 -3.740 2.401 1.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 9.434 -10.225 22.087 1.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 9.697 -9.541 22.714 1.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 10.241 -10.775 21.979 1.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 3.363 -13.947 23.364 1.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 3.940 -14.281 24.093 1.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 2.448 -14.080 23.706 1.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 6.271 -12.779 20.721 1.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 6.562 -11.864 20.556 1.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 5.303 -12.741 20.649 1.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 14.706 -8.535 23.136 1.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 14.936 -8.802 24.062 1.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 14.505 -7.571 23.209 1.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 15.721 -9.476 5.003 1.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 14.992 -10.036 5.338 1.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 15.268 -8.793 4.463 1.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 7.251 -14.746 19.137 1.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 6.911 -14.166 19.859 1.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 6.456 -15.238 18.834 1.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 5.782 -16.742 15.695 1.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 6.736 -16.756 15.459 1.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 5.774 -16.527 16.646 1.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 11.193 -14.417 14.807 1.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 11.583 -13.607 14.466 1.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 11.144 -14.271 15.775 1.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 14.571 -5.828 23.235 1.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 14.052 -5.026 23.318 1.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 15.496 -5.508 23.135 1.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 4.272 -0.758 8.398 1.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 4.083 -0.049 7.740 1.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 4.226 -0.308 9.247 1.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 2.440 -6.442 4.229 1.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 2.745 -7.314 4.534 1.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 2.507 -5.872 5.023 1.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 17.196 -5.165 22.942 1.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 17.975 -4.831 23.442 1.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 17.393 -6.112 22.796 1.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 18.588 -14.746 7.158 1.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 18.265 -13.826 7.098 1.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 18.843 -14.852 8.100 1.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 18.699 -10.080 10.208 1.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 18.275 -9.708 11.004 1.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 18.796 -11.028 10.413 1.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 21.507 -8.107 15.570 1.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 22.002 -8.592 14.864 1.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 20.967 -7.473 15.087 1.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 17.079 -12.482 6.640 1.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 16.628 -12.234 5.811 1.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 17.405 -11.623 7.000 1.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 17.138 -10.152 20.648 1.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 17.553 -10.552 21.454 1.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 16.211 -10.447 20.688 1.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 16.237 -14.987 17.540 1.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 15.402 -15.160 18.025 1.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 16.924 -15.145 18.194 1.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 -1.604 -14.295 22.074 1.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 -1.609 -14.187 23.040 1.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 -1.917 -15.226 21.936 1.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 2.992 -14.905 16.676 1.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 2.013 -14.977 16.706 1.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 3.249 -15.520 15.969 1.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 0.219 -15.061 16.573 1.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 0.079 -14.225 17.063 1.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 -0.612 -15.565 16.725 1.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 -0.179 -19.487 14.345 1.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 -0.964 -19.472 14.930 1.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 0.091 -18.551 14.288 1.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 8.365 -16.813 14.921 1.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 8.699 -16.434 15.769 1.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 9.153 -16.829 14.342 1.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 1.228 -17.263 11.634 1.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 0.958 -16.961 12.525 1.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 0.398 -17.633 11.249 1.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 8.809 -22.725 9.893 1.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 8.618 -21.787 10.051 1.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 8.811 -23.123 10.800 1.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 6.935 -18.169 7.427 1.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 5.986 -18.288 7.651 1.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 7.261 -19.080 7.283 1.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 9.537 -3.152 3.251 1.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 9.580 -2.448 3.922 1.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 10.401 -3.607 3.327 1.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 -0.099 -1.957 3.101 1.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 -1.028 -1.995 3.426 1.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 0.203 -2.897 3.140 1.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 10.940 -9.603 26.836 1.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 10.083 -9.560 27.310 1.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 11.137 -8.683 26.619 1.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 8.895 -14.572 30.338 1.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 9.616 -15.126 30.718 1.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 8.338 -15.212 29.856 1.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 15.242 -10.014 28.202 1.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 15.411 -9.604 29.055 1.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 14.327 -10.377 28.285 1.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 1.309 -11.821 28.372 1.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 0.884 -10.992 28.686 1.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 0.954 -11.938 27.462 1.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 -0.155 -9.493 28.696 1.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 0.420 -9.049 28.025 1.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 -0.329 -8.805 29.348 1.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 12.666 -15.488 33.489 1.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 13.368 -15.613 34.162 1.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 12.058 -14.858 33.901 1.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 1.290 -12.578 32.207 1.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 2.076 -12.225 31.735 1.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 0.871 -13.172 31.555 1.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 8.764 -12.031 29.095 1.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 8.826 -12.838 29.642 1.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 8.863 -12.358 28.178 1.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 19.060 -12.099 37.832 1.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 18.975 -11.333 38.434 1.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 18.168 -12.518 37.849 1.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 4.573 -14.863 32.620 1.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 3.873 -14.348 33.034 1.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 4.685 -15.637 33.219 1.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 5.072 -13.970 30.118 1.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 4.772 -14.767 29.658 1.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 5.050 -14.223 31.073 1.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 7.715 -9.139 25.627 1.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 6.781 -9.418 25.654 1.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 8.000 -9.168 26.563 1.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 11.866 -11.499 22.203 1.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 11.695 -11.610 23.169 1.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 12.767 -11.128 22.160 1.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 19.300 -9.877 39.503 1.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 18.581 -9.447 39.982 1.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 20.010 -9.950 40.153 1.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 12.731 -10.987 28.463 1.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 12.625 -11.924 28.258 1.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 12.055 -10.542 27.912 1.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 15.743 -11.383 36.266 1.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 14.914 -11.775 35.934 1.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 16.137 -12.092 36.812 1.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 5.996 -12.747 27.642 1.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 6.255 -12.778 28.580 1.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 5.035 -12.965 27.657 1.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 10.986 -11.531 24.872 1.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 10.333 -12.127 25.267 1.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 11.091 -10.819 25.537 1.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 3.376 -13.426 27.549 1.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 2.914 -14.244 27.827 1.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 2.707 -12.726 27.672 1.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 10.451 -19.480 36.086 1.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 10.023 -20.321 36.339 1.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 9.818 -19.072 35.455 1.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 14.573 -14.617 38.919 1.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 13.678 -14.276 38.699 1.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 14.484 -14.949 39.816 1.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 15.640 -9.157 25.583 1.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 15.349 -9.342 26.497 1.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 16.499 -9.593 25.520 1.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 4.634 -16.751 34.557 1.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 5.490 -16.710 35.028 1.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 3.970 -16.832 35.275 1.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 1.871 -15.557 28.531 1.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 1.168 -15.884 27.918 1.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 2.628 -16.150 28.366 1.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 7.140 -16.395 35.771 1.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 7.790 -15.877 35.246 1.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 7.448 -16.308 36.680 1.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 3.273 -11.875 30.460 1.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 2.780 -11.830 29.624 1.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 3.964 -12.550 30.297 1.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 10.677 -16.274 31.582 1.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 11.398 -16.095 32.215 1.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 10.852 -17.183 31.267 1.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 9.217 -13.251 32.689 1.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 9.031 -13.666 31.820 1.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 9.009 -12.322 32.556 1.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 8.520 -9.451 28.242 1.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 8.099 -8.949 28.948 1.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 8.599 -10.365 28.610 1.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 1.549 -8.438 26.898 1.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 1.438 -8.702 25.956 1.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 2.471 -8.174 26.960 1.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 2.709 -16.822 36.518 1.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 2.060 -16.148 36.823 1.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 2.765 -17.450 37.266 1.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 17.358 -11.330 27.007 1.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 16.569 -10.937 27.433 1.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 17.620 -12.050 27.611 1.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 3.313 -11.240 24.002 1.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 3.387 -12.164 23.690 1.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 4.117 -11.106 24.547 1.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 12.326 -17.523 36.594 1.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 12.769 -17.961 37.333 1.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 11.656 -18.185 36.295 1.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 11.252 -14.883 36.078 1.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 11.540 -15.788 36.321 1.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 10.457 -15.029 35.514 1.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 16.203 -17.710 37.222 1.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 16.130 -18.338 37.965 1.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 16.424 -18.283 36.448 1.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 13.575 -13.150 35.702 1.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 12.638 -13.393 35.731 1.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 14.043 -14.005 35.754 1.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 5.583 -10.989 25.512 1.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 6.257 -11.313 24.882 1.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 5.692 -11.564 26.297 1.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 8.484 -12.670 26.422 1.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 7.587 -12.799 26.794 1.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 8.319 -12.317 25.522 1.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 8.001 -11.346 24.103 1.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 8.446 -11.236 23.237 1.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 8.064 -10.455 24.517 1.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 17.237 -7.836 22.158 1.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 17.304 -8.587 21.534 1.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 16.435 -8.037 22.680 1.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 9.264 -15.416 34.308 1.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 9.200 -14.609 33.739 1.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 9.384 -16.144 33.674 1.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 8.550 -18.402 34.471 1.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 7.969 -19.080 34.075 1.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 7.936 -17.807 34.942 1.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 12.076 -13.634 38.381 1.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 12.157 -12.712 38.115 1.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 11.648 -14.069 37.615 1.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 7.738 -23.097 38.799 1.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 6.894 -22.648 38.558 1.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 7.490 -23.689 39.527 1.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 5.260 -22.116 38.200 1.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 4.676 -21.763 38.891 1.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 4.691 -22.729 37.698 1.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 19.439 -4.049 24.101 1.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 19.396 -3.090 24.163 1.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 20.381 -4.256 24.236 1.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 20.081 -8.726 37.102 1.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 19.259 -8.820 36.572 1.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 19.843 -9.102 37.972 1.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 14.372 -15.865 35.700 1.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 15.115 -16.095 36.283 1.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 13.654 -16.471 35.983 1.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 17.523 -9.298 36.190 1.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 17.000 -10.133 36.218 1.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 16.889 -8.636 35.910 1.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 0.540 -15.419 37.306 1.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 0.135 -14.689 36.791 1.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 0.075 -15.384 38.173 1.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 13.783 -20.747 37.738 1.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 14.495 -20.394 38.301 1.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 14.196 -20.823 36.856 1.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 0.329 -13.917 30.002 1.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 0.928 -14.597 29.613 1.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 0.514 -13.114 29.475 1.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 17.657 -15.636 36.197 1.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 17.264 -16.379 36.708 1.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 17.497 -15.874 35.275 1.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 2.047 -18.305 38.764 1.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 1.849 -17.779 39.546 1.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 1.833 -19.228 39.034 1.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 -1.096 -15.380 39.475 1.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 -1.487 -15.227 40.338 1.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 -1.738 -15.977 39.022 1.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 11.356 -22.320 38.209 1.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 12.034 -21.660 37.964 1.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 10.634 -22.169 37.568 1.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 4.159 6.029 -3.062 1.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 4.764 6.509 -3.667 1.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 3.369 5.851 -3.611 1.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 4.329 1.992 -6.210 1.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 3.584 2.139 -5.597 1.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 4.893 2.777 -6.093 1.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 2.602 5.172 -5.251 1.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 3.433 5.102 -5.740 1.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 1.913 5.226 -5.957 1.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 6.891 8.293 -2.854 1.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 7.216 9.158 -3.120 1.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 6.631 7.863 -3.697 1.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 5.919 6.570 -1.001 1.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 6.432 7.219 -1.539 1.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 5.126 6.387 -1.550 1.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 5.328 7.439 1.490 1.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 5.609 7.143 0.591 1.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 5.977 8.110 1.732 1.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 10.261 2.652 -3.820 1.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 10.947 2.117 -3.380 1.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 9.633 2.870 -3.104 1.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 4.815 3.423 -2.621 1.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 4.431 3.132 -1.760 1.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 4.638 4.392 -2.646 1.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 5.922 6.854 -5.010 1.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 5.834 7.182 -5.934 1.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 6.077 5.891 -5.117 1.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 3.296 2.577 -0.460 1.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 2.582 1.904 -0.533 1.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 2.818 3.412 -0.260 1.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 3.910 -0.297 -3.843 1.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 3.427 0.553 -3.971 1.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 4.333 -0.464 -4.712 1.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 8.073 2.482 -5.441 1.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 8.026 1.507 -5.471 1.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 8.933 2.662 -5.013 1.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 5.826 7.271 -7.691 1.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 6.403 6.671 -8.176 1.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 5.552 7.920 -8.346 1.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 12.060 1.119 -2.262 1.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 11.832 1.855 -1.642 1.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 12.977 1.294 -2.511 1.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 5.921 4.085 -5.167 1.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 6.739 3.563 -5.363 1.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 5.680 3.816 -4.262 1.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 0.555 5.026 -7.049 1.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 -0.102 4.445 -6.610 1.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 0.160 5.227 -7.903 1.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 8.344 2.755 -1.656 1.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 7.777 2.066 -2.053 1.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 7.729 3.277 -1.101 1.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 2.259 4.967 0.324 1.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 2.788 4.862 1.130 1.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 2.219 5.942 0.193 1.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 10.356 -0.900 -1.602 1.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 9.936 -0.552 -0.773 1.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 10.951 -0.168 -1.889 1.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 10.985 3.201 -0.944 1.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 10.026 2.996 -0.978 1.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 11.023 4.161 -0.986 1.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 7.870 -0.188 -4.749 1.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 8.423 -0.920 -4.428 1.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 7.436 0.160 -3.942 1.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 5.114 3.889 4.791 1.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 5.349 2.942 4.741 1.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 4.694 3.983 5.653 1.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 4.816 4.805 2.240 1.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 4.983 4.653 3.203 1.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 4.936 5.772 2.127 1.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 6.890 1.413 1.014 1.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 6.018 1.076 0.734 1.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 6.871 2.360 0.762 1.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 6.555 4.092 0.122 1.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 5.981 4.241 0.901 1.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 6.495 4.933 -0.378 1.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 4.154 2.147 2.176 1.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 3.895 2.025 1.240 1.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 4.322 3.110 2.253 1.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 9.268 0.120 0.601 1.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 9.685 0.183 1.483 1.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 8.474 0.690 0.669 1.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 -0.287 0.861 3.303 1.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 0.599 1.140 3.620 1.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 -0.217 -0.107 3.228 1.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 5.561 1.180 4.365 1.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 5.122 1.401 3.512 1.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 6.369 0.699 4.098 1.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 10.260 0.273 3.221 1.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 11.055 0.820 3.254 1.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 10.315 -0.280 4.031 1.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 -2.254 2.125 1.918 1.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 -2.277 2.990 2.342 1.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 -1.558 1.631 2.418 1.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 2.751 2.109 -3.935 1.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 3.394 2.697 -3.493 1.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 1.886 2.545 -3.785 1.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 0.692 3.916 -3.706 1.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 -0.045 3.796 -4.340 1.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 1.331 4.485 -4.188 1.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 11.477 1.846 -6.208 1.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 11.075 2.415 -5.523 1.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 11.486 2.407 -7.015 1.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 15.474 0.031 -5.681 1.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 15.720 -0.862 -5.393 1.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 16.337 0.476 -5.845 1.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 -1.244 3.441 -5.656 1.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 -1.285 2.465 -5.490 1.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 -2.163 3.725 -5.609 1.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 6.256 1.048 -2.839 1.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 5.528 0.414 -2.990 1.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 5.808 1.918 -2.800 1.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 11.622 -0.825 -5.627 1.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 11.360 0.124 -5.652 1.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 12.322 -0.890 -6.307 1.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 2.455 -1.634 4.298 1.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 2.682 -2.545 4.515 1.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 1.566 -1.698 3.897 1.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 7.757 -2.719 1.309 1.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 8.433 -3.035 1.956 1.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 7.444 -1.884 1.690 1.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 7.553 -0.286 3.160 1.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 7.319 0.282 2.392 1.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 8.518 -0.146 3.273 1.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 2.360 1.143 4.061 1.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 2.981 1.455 3.370 1.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 2.570 0.190 4.163 1.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 3.848 1.154 6.503 1.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 3.049 1.351 5.985 1.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 4.556 1.091 5.831 1.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 19.933 -44.495 17.217 1.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 20.602 -43.812 16.980 1.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 20.416 -45.103 17.818 1.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 22.100 -42.779 16.878 1.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 21.924 -41.814 16.809 1.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 23.061 -42.860 16.694 1.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 22.825 -43.939 19.235 1.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 23.773 -43.718 19.296 1.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 22.504 -43.408 18.474 1.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 24.847 -43.144 17.050 1.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 25.586 -42.711 16.614 1.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 25.184 -43.348 17.946 1.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 21.420 -46.190 18.833 1.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 22.048 -46.828 18.485 1.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 21.971 -45.399 19.047 1.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 18.510 -41.138 12.705 1.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 19.136 -41.003 13.454 1.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 18.825 -40.537 12.028 1.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 25.540 -40.351 20.756 1.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 25.864 -40.549 21.668 1.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 24.671 -39.931 20.904 1.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 20.052 -40.309 14.762 1.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 20.849 -40.336 15.325 1.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 19.394 -39.834 15.308 1.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 27.713 -43.217 25.059 1.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 28.627 -43.438 25.339 1.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 27.641 -42.247 25.217 1.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 17.755 -44.078 18.887 1.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 18.432 -44.138 18.182 1.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 16.916 -43.988 18.407 1.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 22.791 -46.693 24.031 1.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 22.441 -46.331 23.183 1.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 22.092 -47.279 24.344 1.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 26.086 -38.123 19.167 1.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 26.165 -39.011 19.580 1.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 25.523 -37.621 19.796 1.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 16.403 -41.435 14.441 1.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 15.832 -40.671 14.230 1.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 17.102 -41.410 13.751 1.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 29.878 -43.898 26.663 1.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 30.604 -44.231 27.193 1.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 29.106 -43.918 27.268 1.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 20.387 -43.264 22.013 1.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 20.283 -43.167 22.984 1.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 19.558 -42.884 21.642 1.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 25.464 -43.720 23.617 1.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 26.350 -43.717 24.051 1.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 25.547 -44.371 22.899 1.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 21.913 -45.512 21.736 1.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 21.443 -44.658 21.904 1.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 21.416 -45.908 21.000 1.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 24.731 -45.466 21.507 1.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 24.766 -46.360 21.866 1.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 23.769 -45.270 21.449 1.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 25.533 -43.498 19.710 1.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 25.965 -42.801 20.228 1.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 25.440 -44.246 20.339 1.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 20.810 -34.151 14.746 1.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.640 -35.109 14.918 1.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 20.926 -33.764 15.648 1.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 17.872 -45.833 16.019 1.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 18.288 -46.442 15.401 1.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 18.622 -45.319 16.392 1.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 25.923 -41.008 23.344 1.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 26.346 -40.723 24.178 1.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 25.591 -41.905 23.541 1.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 26.565 -34.528 20.359 1.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 26.274 -34.909 21.217 1.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 27.185 -35.182 20.010 1.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 27.369 -36.387 17.494 1.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 26.910 -37.005 18.106 1.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 27.897 -36.960 16.934 1.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 21.824 -40.026 16.845 1.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 21.266 -39.281 17.145 1.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 22.747 -39.715 17.006 1.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 24.218 -38.878 17.233 1.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 23.968 -38.092 16.711 1.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 24.909 -38.555 17.841 1.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 20.476 -46.299 34.553 1.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 21.178 -46.799 35.020 1.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 20.763 -46.296 33.614 1.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 14.743 -51.245 26.079 1.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 14.953 -50.783 25.260 1.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 14.534 -52.141 25.801 1.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 19.073 -47.472 30.749 1.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 18.504 -48.235 30.565 1.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 19.491 -47.269 29.883 1.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 24.208 -43.853 33.292 1.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 23.585 -43.133 33.576 1.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 24.853 -43.899 34.004 1.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 16.250 -49.109 30.663 1.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 16.038 -49.218 29.710 1.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 15.465 -49.473 31.123 1.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 21.424 -44.236 29.727 1.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 22.091 -43.735 30.248 1.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 21.425 -43.789 28.855 1.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 29.950 -38.461 29.326 1.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 30.424 -39.241 29.623 1.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 29.019 -38.626 29.597 1.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 23.043 -41.867 36.680 1.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 22.852 -41.902 35.713 1.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 22.784 -42.758 37.007 1.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 23.878 -45.948 31.468 1.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 24.099 -45.291 32.159 1.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 22.935 -46.150 31.628 1.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 22.293 -47.630 36.271 1.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 22.713 -47.212 37.059 1.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 22.985 -48.191 35.907 1.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 22.707 -39.815 38.379 1.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 22.375 -40.373 39.118 1.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 22.994 -40.472 37.701 1.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 20.098 -42.288 37.479 1.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 20.368 -42.797 36.672 1.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 20.911 -42.240 38.015 1.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 27.299 -38.872 29.946 1.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 26.852 -39.508 29.336 1.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 26.857 -39.019 30.807 1.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 21.718 -41.796 39.944 1.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 20.973 -41.520 40.512 1.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 22.130 -42.543 40.433 1.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 20.696 -46.641 28.597 1.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 21.023 -45.842 29.065 1.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 21.462 -46.923 28.045 1.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 22.474 -44.169 37.968 1.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 22.954 -45.018 38.018 1.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 21.596 -44.373 38.344 1.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 25.192 -42.940 38.462 1.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 24.237 -42.920 38.276 1.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 25.576 -42.313 37.801 1.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 27.198 -36.556 28.223 1.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 27.233 -37.335 28.816 1.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 28.127 -36.437 27.931 1.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 20.871 -46.628 42.709 1.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 21.062 -47.263 43.403 1.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 21.009 -45.756 43.134 1.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 24.704 -45.762 28.870 1.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 25.603 -46.111 28.912 1.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 24.360 -45.870 29.791 1.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 26.616 -38.559 37.887 1.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 26.288 -37.813 37.349 1.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 26.154 -38.460 38.733 1.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 24.828 -43.023 28.702 1.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 24.291 -42.797 29.499 1.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 24.715 -43.994 28.610 1.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 20.126 -48.456 37.827 1.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 20.383 -48.092 38.698 1.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 20.920 -48.334 37.275 1.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 18.432 -45.882 20.909 1.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 17.964 -45.345 21.572 1.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 18.401 -45.335 20.101 1.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 20.362 -41.148 28.805 1.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 20.675 -41.107 29.719 1.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 21.036 -41.689 28.344 1.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 26.200 -41.036 36.790 1.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 26.509 -40.201 37.205 1.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.659 -40.737 36.036 1.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 25.987 -40.560 28.285 1.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 25.618 -41.451 28.461 1.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 25.234 -40.067 27.878 1.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 20.788 -43.681 35.316 1.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 20.650 -44.594 34.992 1.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 21.364 -43.270 34.643 1.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 22.025 -42.808 27.425 1.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 21.740 -43.028 26.521 1.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 22.996 -42.812 27.374 1.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 24.093 -42.694 43.597 1.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 24.989 -42.336 43.417 1.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 23.585 -41.917 43.918 1.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 27.223 -40.630 25.791 1.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 27.646 -39.750 25.647 1.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 26.873 -40.578 26.704 1.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 23.086 -44.106 24.917 1.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 23.023 -45.052 24.679 1.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 23.930 -43.814 24.507 1.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 27.174 -42.249 40.242 1.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 26.432 -42.475 39.642 1.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 27.847 -41.884 39.658 1.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 27.358 -43.851 27.760 1.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 26.584 -43.457 28.197 1.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 27.227 -43.648 26.814 1.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 21.059 -46.954 39.982 1.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 20.975 -46.955 40.963 1.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 20.616 -46.121 39.707 1.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 22.931 -46.850 27.031 1.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 23.343 -46.790 26.159 1.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 23.581 -46.430 27.634 1.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 23.392 -46.667 38.593 1.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 24.083 -46.315 39.192 1.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 22.646 -46.894 39.195 1.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 21.123 -46.003 31.891 1.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 20.414 -46.606 31.575 1.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 21.114 -45.268 31.243 1.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 16.689 -47.021 32.299 1.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 16.454 -47.760 31.688 1.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 17.572 -46.741 31.995 1.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 24.483 -39.433 42.680 1.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 25.215 -40.085 42.596 1.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 23.942 -39.777 43.420 1.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 22.813 -38.124 36.198 1.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 21.986 -37.626 36.018 1.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 22.595 -38.677 36.975 1.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 26.166 -39.118 32.559 1.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 26.867 -38.583 32.949 1.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 25.701 -39.505 33.334 1.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 23.332 -42.722 30.938 1.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 22.834 -41.963 31.350 1.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 23.765 -43.160 31.699 1.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 29.835 -36.644 27.359 1.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 29.946 -37.325 28.069 1.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 30.708 -36.248 27.276 1.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 19.313 -42.882 45.151 1.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 20.011 -43.369 44.678 1.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 18.865 -42.368 44.448 1.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 18.785 -39.844 47.148 1.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 18.028 -39.941 46.537 1.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 18.863 -40.726 47.565 1.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 12.270 -47.725 43.176 1.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 11.773 -47.135 43.793 1.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 11.919 -48.599 43.355 1.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 26.395 -41.435 42.732 1.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 26.684 -41.747 41.842 1.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 27.236 -41.231 43.197 1.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 28.825 -40.839 43.887 1.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 29.526 -40.329 43.470 1.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 29.205 -41.128 44.722 1.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 21.456 -44.089 43.706 1.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 21.753 -43.981 42.777 1.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 22.170 -43.684 44.227 1.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 22.540 -40.527 44.256 1.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 21.941 -40.120 43.605 1.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 22.199 -40.207 45.127 1.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 22.932 -43.770 41.405 1.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 23.447 -43.381 42.150 1.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 23.583 -44.327 40.932 1.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 18.668 -42.555 47.746 1.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 18.822 -42.632 46.769 1.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 19.337 -43.126 48.135 1.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 25.083 -45.074 40.156 1.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 25.915 -45.079 40.645 1.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 25.189 -44.337 39.510 1.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 21.801 -39.063 41.880 1.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 22.773 -39.163 41.905 1.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 21.660 -38.214 41.426 1.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 21.670 -36.726 47.335 1.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 20.988 -36.066 47.059 1.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 22.508 -36.282 47.166 1.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 13.723 -37.817 51.105 1.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 14.231 -37.524 50.314 1.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 14.343 -37.707 51.831 1.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 21.563 -22.641 3.780 1.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 21.517 -23.565 4.119 1.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 20.659 -22.463 3.465 1.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 18.430 -29.048 2.393 1.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 19.046 -28.630 3.027 1.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 18.185 -28.329 1.787 1.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 18.875 -23.907 0.784 1.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 18.177 -23.803 0.128 1.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 19.562 -23.252 0.507 1.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 20.034 -28.279 4.593 1.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 20.282 -29.226 4.543 1.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 20.795 -27.856 5.038 1.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 25.978 -20.545 1.852 1.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 26.833 -20.447 1.373 1.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 26.234 -20.508 2.803 1.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 18.796 -22.520 3.209 1.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 18.729 -23.146 2.461 1.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 18.722 -21.636 2.785 1.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 23.296 -20.786 2.469 1.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 22.935 -21.652 2.750 1.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 24.227 -20.979 2.224 1.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 19.095 -25.844 2.689 1.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 19.284 -25.168 2.006 1.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 18.376 -26.372 2.302 1.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 22.724 -20.589 5.159 1.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 22.908 -20.262 4.258 1.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 22.340 -21.478 5.007 1.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 20.848 -25.089 4.644 1.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 20.269 -25.541 3.988 1.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 21.404 -25.809 5.009 1.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 26.633 -20.043 4.454 1.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 26.009 -19.680 5.121 1.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 27.319 -19.342 4.359 1.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 36.225 -18.294 1.007 1.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 36.466 -17.422 0.677 1.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 37.052 -18.662 1.333 1.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 20.042 -17.099 0.493 1.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 19.784 -17.200 -0.427 1.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 20.620 -17.872 0.665 1.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 21.885 -19.174 0.778 1.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 22.721 -19.057 0.291 1.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 22.139 -19.723 1.551 1.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 19.504 -29.819 14.641 1.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 18.951 -28.999 14.690 1.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 20.213 -29.585 14.011 1.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 29.182 -17.928 12.461 1.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 28.439 -17.828 13.090 1.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 29.568 -18.784 12.686 1.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 25.884 -24.551 15.449 1.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 25.032 -24.327 15.910 1.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 25.938 -23.909 14.731 1.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 23.028 -36.676 16.017 1.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 23.435 -35.963 15.510 1.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 23.082 -36.368 16.951 1.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 18.632 -32.444 14.981 1.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 19.494 -32.859 14.799 1.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 18.810 -31.481 14.901 1.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 24.759 -26.486 11.857 1.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 25.515 -26.651 12.432 1.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 24.673 -27.318 11.332 1.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 22.799 -26.121 15.409 1.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 21.839 -26.183 15.190 1.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 22.825 -25.533 16.200 1.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 23.353 -33.081 14.140 1.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 23.600 -33.148 15.079 1.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 22.454 -33.449 14.105 1.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 18.533 -25.171 9.743 1.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 18.423 -25.816 10.467 1.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 18.817 -24.352 10.196 1.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 23.648 -33.651 16.959 1.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 24.608 -33.460 17.065 1.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 23.490 -34.397 17.573 1.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 21.483 -28.287 13.298 1.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 21.047 -27.549 13.786 1.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 22.195 -28.585 13.901 1.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 23.837 -24.334 13.290 1.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 24.124 -25.025 12.651 1.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 23.599 -24.841 14.096 1.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 23.494 -29.389 15.031 1.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 24.239 -28.758 15.097 1.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 23.432 -29.777 15.930 1.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 22.576 -29.075 8.676 1.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 21.664 -29.281 8.387 1.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 23.117 -29.799 8.297 1.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 26.762 -24.461 18.038 1.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 26.691 -25.414 18.272 1.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 26.600 -24.446 17.072 1.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 30.987 -20.253 7.391 1.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 30.969 -20.200 8.368 1.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 30.055 -20.416 7.148 1.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 20.058 -21.292 13.924 1.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 20.538 -22.140 13.999 1.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 19.428 -21.441 13.209 1.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 23.389 -35.858 18.592 1.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 22.515 -35.667 19.007 1.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 23.927 -36.209 19.332 1.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 26.262 -33.829 17.634 1.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 26.302 -33.855 18.605 1.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 26.718 -34.650 17.357 1.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 20.961 -32.958 17.154 1.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 20.781 -31.999 17.258 1.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 21.934 -33.029 17.232 1.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 24.370 -28.936 10.756 1.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 24.205 -29.629 11.444 1.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 23.593 -29.004 10.157 1.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 26.053 -31.795 20.599 1.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 25.105 -31.730 20.362 1.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 26.254 -32.755 20.528 1.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 21.041 -32.604 9.087 1.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 21.942 -32.872 9.288 1.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 21.127 -32.071 8.265 1.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 23.929 -30.768 12.693 1.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 23.816 -31.702 12.962 1.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 23.748 -30.265 13.513 1.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 24.976 -30.579 8.544 1.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 25.033 -29.997 9.324 1.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 25.716 -31.182 8.644 1.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 20.885 -30.162 19.966 1.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 20.653 -30.266 19.020 1.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 20.346 -29.405 20.261 1.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 23.611 -27.407 18.460 1.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 24.561 -27.205 18.521 1.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 23.181 -26.520 18.382 1.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 23.310 -29.965 17.756 1.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 23.381 -29.018 18.041 1.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 23.414 -30.471 18.585 1.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 29.727 -21.844 19.436 1.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 30.444 -22.347 19.833 1.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 28.913 -22.291 19.755 1.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 18.519 -26.973 11.846 1.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 19.474 -27.059 11.704 1.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 18.411 -27.111 12.824 1.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 22.015 -26.460 11.258 1.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 22.967 -26.354 11.432 1.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 21.749 -27.203 11.837 1.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 26.565 -21.453 17.744 1.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 26.708 -22.397 17.945 1.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 25.708 -21.433 17.300 1.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 19.541 -23.121 11.304 1.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 20.113 -23.448 12.038 1.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 20.137 -22.597 10.755 1.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 26.353 -27.177 18.036 1.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 26.576 -28.070 18.386 1.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 26.052 -27.349 17.120 1.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 24.726 -19.004 6.161 1.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 24.407 -18.450 6.890 1.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 24.024 -19.679 6.046 1.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.420 -22.389 11.881 1.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 24.968 -23.139 12.300 1.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 24.697 -21.751 11.695 1.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 21.372 -31.058 6.863 1.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 20.771 -30.302 7.036 1.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 21.315 -31.189 5.899 1.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 27.084 -21.507 8.847 1.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 27.491 -21.279 9.706 1.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 26.401 -22.144 9.072 1.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 26.475 -29.803 18.736 1.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 26.543 -30.509 19.410 1.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 25.939 -30.197 18.036 1.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 23.088 -20.903 11.624 1.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 23.126 -20.070 11.108 1.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 22.564 -20.675 12.402 1.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 22.172 -26.391 8.505 1.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 22.067 -26.092 9.433 1.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 22.375 -27.351 8.590 1.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 19.637 -26.122 7.443 1.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 19.119 -25.751 8.190 1.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 20.565 -26.054 7.743 1.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 28.289 -20.233 6.766 1.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 27.856 -20.700 7.523 1.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 27.790 -20.530 5.987 1.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 28.909 -23.206 22.740 1.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 28.725 -24.133 22.996 1.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 28.565 -23.143 21.826 1.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 20.530 -30.960 4.210 1.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 19.833 -31.554 4.587 1.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 20.385 -31.005 3.257 1.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 20.609 -30.232 17.186 1.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 21.541 -29.932 17.165 1.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 20.262 -30.005 16.297 1.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 27.125 -28.302 22.279 1.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 27.025 -28.416 21.326 1.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 26.916 -29.178 22.650 1.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 23.329 -31.365 20.264 1.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 23.223 -32.105 20.882 1.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 22.441 -30.937 20.245 1.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 25.229 -27.254 15.512 1.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 25.719 -26.416 15.396 1.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 24.283 -26.973 15.533 1.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 24.389 -37.034 20.990 1.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 24.796 -36.549 21.744 1.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 23.894 -37.764 21.416 1.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 26.436 -32.848 25.035 1.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 26.159 -32.251 24.305 1.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 27.357 -32.614 25.191 1.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 23.766 -33.484 22.612 1.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 23.314 -32.893 23.247 1.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 23.379 -34.361 22.785 1.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 22.305 -27.084 5.824 1.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 22.302 -26.675 6.717 1.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 23.033 -27.715 5.857 1.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 19.470 -34.848 12.378 1.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 19.340 -35.788 12.567 1.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 20.043 -34.536 13.102 1.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 24.408 -21.209 22.228 1.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 24.684 -22.147 22.174 1.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 25.228 -20.732 22.487 1.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 31.291 -18.217 23.966 1.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 30.832 -18.073 23.129 1.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 31.955 -17.495 24.001 1.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 28.857 -19.963 17.611 1.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 29.394 -20.533 18.204 1.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 28.005 -20.439 17.536 1.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 28.648 -20.435 14.220 1.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 28.110 -19.621 14.304 1.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 29.029 -20.558 15.100 1.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 21.098 -23.838 13.419 1.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 20.772 -24.667 13.848 1.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 22.046 -24.014 13.253 1.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 23.716 -21.833 14.723 1.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 23.714 -22.435 13.963 1.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 23.588 -22.428 15.497 1.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 20.347 -36.765 15.264 1.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 21.301 -36.910 15.439 1.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 19.904 -37.438 15.811 1.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 30.942 -18.420 5.382 1.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 31.215 -19.220 5.890 1.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 30.290 -17.982 5.971 1.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 19.237 -24.505 34.426 1.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 18.385 -24.265 34.014 1.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 19.785 -23.706 34.319 1.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 24.358 -32.690 29.913 1.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 25.191 -33.155 30.021 1.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 24.372 -32.390 28.977 1.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 24.400 -24.847 33.084 1.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 25.275 -24.559 32.735 1.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 23.760 -24.430 32.486 1.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 24.623 -39.868 34.748 1.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 24.005 -40.561 34.449 1.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 24.047 -39.205 35.182 1.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 25.995 -30.778 23.157 1.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 25.149 -30.294 23.251 1.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 25.973 -31.129 22.236 1.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 20.771 -29.776 31.724 1.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 20.330 -29.349 30.964 1.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 20.892 -29.064 32.358 1.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 26.623 -24.195 31.624 1.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 26.545 -24.864 30.923 1.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 26.442 -23.348 31.170 1.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 23.782 -31.219 33.261 1.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 24.683 -30.923 33.489 1.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 23.219 -30.463 33.506 1.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 22.949 -26.925 37.726 1.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 23.467 -26.559 36.971 1.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 22.582 -26.149 38.157 1.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 13.938 -27.043 35.000 1.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 13.835 -27.894 34.502 1.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 14.717 -26.621 34.582 1.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 19.351 -20.222 30.529 1.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 18.547 -19.695 30.514 1.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 19.036 -21.135 30.697 1.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 21.355 -22.901 31.046 1.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 20.384 -22.951 31.042 1.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 21.552 -22.115 31.592 1.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 22.201 -34.395 34.561 1.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 21.605 -35.098 34.862 1.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 22.774 -34.224 35.334 1.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 25.807 -35.523 22.828 1.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 26.062 -35.822 23.727 1.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 25.304 -34.704 22.984 1.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 23.411 -35.801 31.320 1.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 23.476 -36.719 31.665 1.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 23.839 -35.847 30.436 1.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 24.829 -32.001 27.268 1.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 25.271 -32.377 26.487 1.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 24.848 -31.036 27.111 1.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 25.876 -29.444 33.916 1.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 26.831 -29.340 33.893 1.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 25.543 -28.755 33.301 1.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 23.121 -28.832 34.493 1.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 22.518 -28.888 35.264 1.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 23.992 -29.077 34.855 1.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 25.348 -26.689 27.407 1.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 25.413 -26.625 28.388 1.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 25.183 -27.636 27.241 1.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 24.537 -27.519 32.504 1.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 23.846 -27.941 33.060 1.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 24.518 -26.577 32.775 1.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 27.197 -25.406 25.843 1.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 27.297 -24.527 26.273 1.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 26.584 -25.890 26.434 1.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 19.419 -29.220 38.442 1.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 19.324 -30.160 38.711 1.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 18.833 -28.737 39.061 1.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 23.672 -24.007 30.182 1.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 23.608 -24.073 29.198 1.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 22.793 -23.650 30.456 1.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 25.302 -26.239 30.095 1.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 25.057 -26.849 30.821 1.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 24.644 -25.514 30.160 1.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 25.624 -21.995 30.250 1.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 24.956 -22.702 30.128 1.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 25.086 -21.188 30.414 1.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 20.504 -36.627 35.655 1.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 20.432 -36.873 34.699 1.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 19.611 -36.340 35.894 1.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 18.196 -26.730 35.575 1.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 18.877 -27.345 35.873 1.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 18.702 -25.988 35.161 1.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 25.716 -23.727 22.339 1.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 26.117 -24.619 22.409 1.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 26.001 -23.277 23.161 1.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 27.203 -22.877 26.903 1.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 27.481 -22.112 27.435 1.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 27.042 -22.505 26.009 1.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 26.554 -35.706 25.535 1.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 26.678 -35.886 26.486 1.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 26.455 -34.737 25.485 1.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 24.581 -36.053 28.862 1.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 25.513 -36.261 28.628 1.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 24.208 -35.692 28.049 1.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 26.899 -22.193 24.284 1.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 27.743 -22.480 23.874 1.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 26.793 -21.266 23.987 1.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 16.273 -20.104 38.849 1.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 16.800 -20.167 39.653 1.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 16.566 -20.875 38.310 1.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 27.554 -23.263 20.348 1.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 26.783 -23.366 20.945 1.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 27.299 -23.766 19.540 1.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 17.787 -31.169 41.871 1.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 17.445 -30.306 42.187 1.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 17.421 -31.808 42.489 1.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 27.488 -25.695 23.149 1.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 27.424 -25.693 24.134 1.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 27.435 -26.647 22.906 1.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 20.844 -32.777 43.091 1.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 21.043 -32.123 42.382 1.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 21.213 -33.625 42.745 1.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 25.231 -29.383 26.337 1.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 26.103 -29.245 25.950 1.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 24.623 -29.368 25.567 1.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 21.705 -29.187 36.901 1.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 22.132 -28.397 37.305 1.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 20.851 -29.270 37.386 1.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 23.658 -29.466 24.051 1.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 22.994 -28.762 23.967 1.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 23.130 -30.292 24.093 1.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 23.445 -31.362 37.241 1.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 23.849 -30.957 38.015 1.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 22.748 -30.728 36.976 1.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 23.692 -34.074 36.935 1.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 23.434 -34.243 37.851 1.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 23.708 -33.090 36.871 1.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 24.350 -25.757 35.708 1.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 25.277 -25.537 35.831 1.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 24.139 -25.409 34.816 1.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 21.828 -35.188 42.120 1.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 22.706 -35.594 42.253 1.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 21.410 -35.746 41.440 1.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 24.934 -36.540 36.881 1.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 24.661 -35.608 36.741 1.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 24.256 -37.061 36.399 1.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 24.802 -34.653 40.237 1.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 25.479 -35.085 39.706 1.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 24.571 -35.317 40.917 1.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 24.264 -37.737 39.268 1.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 23.707 -38.500 38.996 1.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 24.403 -37.235 38.438 1.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 24.083 -36.850 41.793 1.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 24.131 -37.173 40.861 1.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 24.354 -37.630 42.324 1.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 26.548 -19.762 23.154 1.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 27.529 -19.681 23.132 1.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 26.280 -19.237 23.942 1.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 18.322 -22.744 31.130 1.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 17.827 -23.087 31.904 1.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 17.887 -23.177 30.362 1.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 19.383 -18.449 34.391 1.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 18.428 -18.675 34.508 1.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 19.818 -18.892 35.139 1.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 19.898 -21.825 34.045 1.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 19.686 -21.416 34.915 1.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 19.163 -21.562 33.475 1.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 19.236 -16.349 32.602 1.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 19.147 -17.086 33.239 1.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 18.319 -16.162 32.318 1.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 22.063 -20.717 32.739 1.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 21.379 -21.163 33.283 1.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 22.025 -19.780 33.031 1.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 23.465 -38.406 32.101 1.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 22.920 -39.230 32.081 1.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 24.386 -38.728 32.101 1.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 28.190 -38.079 25.560 1.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 28.884 -37.606 26.052 1.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 27.539 -37.390 25.345 1.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 29.238 -20.246 23.427 1.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 29.497 -21.174 23.311 1.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 29.997 -19.838 23.877 1.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 20.789 -31.322 47.514 1.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 20.114 -31.856 47.996 1.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 21.615 -31.476 48.017 1.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 24.622 -30.242 47.102 1.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 24.849 -29.344 47.370 1.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 24.391 -30.156 46.142 1.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 20.182 -33.063 51.391 1.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 20.268 -32.835 52.320 1.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 21.037 -33.487 51.166 1.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 22.541 -34.091 50.525 1.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 23.402 -34.506 50.641 1.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 22.713 -33.351 49.905 1.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 22.072 -32.738 45.504 1.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 21.545 -32.714 44.676 1.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 21.677 -32.037 46.062 1.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 24.064 -29.979 44.457 1.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 24.176 -30.876 44.085 1.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 23.465 -29.532 43.824 1.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 23.935 -32.183 41.088 1.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 24.075 -32.331 42.044 1.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 24.249 -33.013 40.669 1.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 20.216 -34.511 46.824 1.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 19.742 -34.033 47.541 1.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 20.869 -33.868 46.499 1.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 22.318 -28.958 42.538 1.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 22.646 -28.306 41.909 1.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 21.982 -29.694 41.970 1.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 21.455 -31.059 41.042 1.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 22.321 -31.445 40.770 1.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 20.850 -31.282 40.307 1.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 25.106 -34.102 48.127 1.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 25.833 -34.670 48.400 1.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 25.486 -33.560 47.401 1.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 19.002 -29.375 46.575 1.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 19.631 -29.942 47.070 1.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 19.530 -29.035 45.823 1.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 20.062 -29.263 44.078 1.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 20.956 -29.090 43.710 1.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 19.468 -29.110 43.331 1.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 24.266 -32.653 43.848 1.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 24.991 -33.098 44.303 1.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 23.492 -32.791 44.440 1.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 23.248 -32.150 48.593 1.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 23.816 -32.925 48.392 1.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 23.706 -31.400 48.156 1.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 20.653 -36.511 49.906 1.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 21.067 -36.677 49.038 1.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 21.112 -35.728 50.242 1.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 16.545 -32.442 49.589 1.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 16.437 -32.236 50.523 1.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 15.910 -31.837 49.134 1.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 21.445 -39.344 46.459 1.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 20.524 -39.561 46.707 1.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 21.583 -38.445 46.818 1.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 26.166 -32.294 46.386 1.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 25.611 -31.611 46.828 1.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 26.668 -31.798 45.731 1.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.967 -12.794 -1.690 1.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 22.119 -13.681 -2.101 1.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 22.453 -12.188 -2.257 1.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 17.616 -8.769 -2.560 1.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 16.717 -8.593 -2.876 1.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 17.652 -9.756 -2.468 1.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 20.040 -7.655 -3.071 1.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 20.616 -8.325 -3.447 1.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 19.173 -8.106 -2.977 1.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 17.007 -16.085 -4.199 1.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 17.540 -16.820 -4.516 1.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 16.427 -16.478 -3.536 1.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 17.785 -11.435 -2.242 1.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 17.588 -12.114 -2.928 1.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 18.391 -11.891 -1.623 1.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 15.048 -6.354 -0.793 1.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 15.256 -5.405 -0.902 1.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 15.491 -6.602 0.043 1.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 19.007 -5.308 -2.255 1.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 19.250 -5.446 -1.316 1.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 19.497 -6.018 -2.731 1.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 16.412 -6.993 1.465 1.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 17.224 -7.319 1.020 1.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 16.662 -6.097 1.802 1.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 22.721 -15.164 -2.710 1.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 23.296 -15.495 -1.981 1.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 22.768 -15.854 -3.377 1.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 28.522 -18.128 4.049 1.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 28.718 -17.826 3.139 1.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 29.404 -18.318 4.431 1.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 24.325 -16.270 -0.833 1.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 25.272 -16.061 -0.704 1.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 24.288 -17.240 -0.773 1.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 28.373 -13.167 2.759 1.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 28.964 -12.790 3.421 1.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 27.535 -13.316 3.244 1.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 19.545 -12.583 -0.409 1.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 19.863 -12.002 0.313 1.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 20.344 -12.731 -0.962 1.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 18.407 -8.101 -0.025 1.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 18.193 -8.247 -0.972 1.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 19.036 -7.353 -0.033 1.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 27.042 -16.455 -0.306 1.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 27.397 -17.133 0.292 1.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 27.636 -15.687 -0.168 1.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 25.272 -13.686 1.405 1.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 25.478 -13.777 2.362 1.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 26.130 -13.535 0.994 1.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 18.218 -14.821 0.667 1.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 18.691 -14.057 0.278 1.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 18.907 -15.505 0.764 1.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 18.827 -3.115 0.899 1.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 19.256 -2.287 1.144 1.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 18.483 -2.948 -0.009 1.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 26.150 -18.472 -2.061 1.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 26.618 -17.700 -1.688 1.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 26.698 -18.747 -2.803 1.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 28.979 -14.699 0.605 1.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 28.787 -14.163 1.413 1.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 29.634 -14.177 0.128 1.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 18.852 -9.881 2.780 1.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 19.543 -10.365 2.282 1.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 19.088 -10.032 3.719 1.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 20.917 -11.190 1.551 1.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 21.539 -10.465 1.674 1.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 21.493 -11.994 1.504 1.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 22.618 -13.207 0.989 1.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 22.472 -13.176 0.022 1.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 23.573 -13.422 1.081 1.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 28.385 -19.890 0.764 1.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 29.207 -20.392 0.746 1.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 28.667 -18.978 0.977 1.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 24.614 -18.867 0.128 1.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 25.013 -19.537 0.730 1.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 25.155 -18.936 -0.697 1.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 26.853 -16.134 4.960 1.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 27.473 -16.873 4.780 1.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 27.090 -15.838 5.855 1.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 29.143 -17.347 1.459 1.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 29.240 -16.407 1.202 1.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 30.068 -17.635 1.676 1.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 31.459 -18.382 2.325 1.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 32.282 -18.708 1.888 1.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 31.633 -18.496 3.274 1.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 18.002 -2.009 -6.587 1.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 18.224 -2.772 -7.125 1.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 17.243 -2.310 -6.044 1.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 16.527 -5.236 -3.602 1.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 16.079 -4.814 -2.836 1.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 17.437 -5.401 -3.283 1.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 11.546 -10.363 -3.378 1.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 11.429 -10.870 -4.206 1.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 10.782 -9.767 -3.351 1.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 13.771 -16.906 2.333 1.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 13.948 -17.350 3.196 1.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 13.653 -17.653 1.709 1.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 33.709 -19.350 1.089 1.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 33.822 -20.014 0.404 1.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 34.590 -18.917 1.150 1.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 23.034 -12.152 14.147 1.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 22.488 -12.860 14.554 1.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 23.528 -11.764 14.907 1.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 18.043 -16.415 12.141 1.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 17.919 -16.996 12.934 1.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 17.130 -16.246 11.833 1.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 18.344 -12.792 11.083 1.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 18.604 -12.965 12.015 1.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 18.663 -13.580 10.600 1.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 34.085 -14.373 19.777 1.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 34.724 -13.657 19.816 1.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 34.402 -14.938 19.038 1.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 25.183 -15.802 11.471 1.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 24.624 -14.992 11.500 1.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 24.853 -16.340 12.209 1.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 19.151 -13.365 13.748 1.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 19.981 -13.597 14.215 1.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 18.497 -14.018 14.089 1.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 26.294 -10.043 20.067 1.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 25.714 -9.276 19.859 1.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 26.753 -9.778 20.895 1.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 21.450 -14.339 15.001 1.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 21.243 -15.078 14.389 1.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 21.633 -14.782 15.848 1.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 24.406 -8.102 19.767 1.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 24.255 -8.067 18.797 1.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 23.526 -8.354 20.135 1.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 23.959 -19.140 15.208 1.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 23.924 -20.086 14.936 1.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 23.474 -19.121 16.062 1.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 27.356 -14.193 7.228 1.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 27.323 -14.512 8.153 1.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 28.306 -14.279 6.982 1.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 24.327 -10.727 16.143 1.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 25.021 -11.164 16.684 1.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 24.165 -9.884 16.605 1.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 21.528 -6.032 21.721 1.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 21.760 -5.131 21.410 1.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 20.615 -6.174 21.380 1.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 22.061 -3.313 21.324 1.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 22.732 -2.857 20.804 1.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 21.215 -2.869 21.065 1.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 23.812 -11.088 8.067 1.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 23.425 -10.799 8.898 1.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 23.078 -11.014 7.419 1.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 21.976 -8.614 20.831 1.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 21.101 -8.873 20.475 1.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 21.815 -7.743 21.246 1.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 23.763 -8.092 17.126 1.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 24.117 -7.283 16.745 1.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 22.858 -8.159 16.748 1.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 35.143 -15.816 17.702 1.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 35.203 -15.668 16.753 1.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 35.517 -16.693 17.831 1.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 28.955 -17.580 7.114 1.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 28.964 -17.497 8.097 1.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 28.610 -18.489 6.957 1.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 21.525 -16.943 16.718 1.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 21.031 -17.635 16.234 1.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 21.446 -17.201 17.650 1.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 19.150 -15.267 9.843 1.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 18.761 -15.684 10.644 1.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 19.844 -15.896 9.564 1.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 29.282 -11.795 24.366 1.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 30.124 -12.078 23.945 1.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 29.315 -12.203 25.258 1.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 15.294 -16.351 11.881 1.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 14.710 -15.851 12.456 1.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 15.484 -17.179 12.392 1.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 26.516 -15.355 18.238 1.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 27.373 -15.757 18.459 1.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 26.147 -15.950 17.559 1.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 28.940 -17.321 9.836 1.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 28.412 -16.498 9.817 1.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 29.111 -17.472 10.796 1.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 21.086 -17.423 8.900 1.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 21.662 -17.781 9.605 1.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 20.952 -18.186 8.289 1.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 25.975 -13.784 4.010 1.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 26.234 -14.699 4.282 1.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 25.742 -13.344 4.857 1.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 28.486 -17.411 18.681 1.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 27.638 -17.731 19.043 1.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 28.821 -18.171 18.159 1.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 22.729 -13.908 6.601 1.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 23.632 -13.541 6.593 1.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 22.153 -13.121 6.542 1.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 26.152 -11.752 17.914 1.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 26.870 -12.392 17.998 1.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 26.278 -11.145 18.679 1.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 22.998 -16.591 7.145 1.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 22.925 -15.614 7.035 1.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 22.309 -16.806 7.807 1.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 29.898 -15.033 6.617 1.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 29.557 -15.931 6.799 1.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 30.856 -15.170 6.463 1.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 27.009 -9.359 22.595 1.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 26.441 -8.569 22.730 1.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 27.878 -9.098 22.967 1.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 23.552 -13.640 11.858 1.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 22.704 -13.520 11.421 1.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 23.484 -13.095 12.671 1.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 24.865 -11.783 21.629 1.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 24.648 -12.543 21.039 1.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 25.307 -11.143 21.033 1.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 19.567 -9.862 5.488 1.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 19.352 -8.925 5.349 1.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 19.001 -10.124 6.248 1.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 21.856 -11.267 6.128 1.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 21.042 -10.770 5.898 1.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 22.389 -11.251 5.301 1.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 30.481 -15.906 19.809 1.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 30.968 -15.855 18.982 1.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 29.687 -16.439 19.584 1.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 32.384 -16.187 6.189 1.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 32.020 -17.006 5.800 1.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 33.185 -16.473 6.634 1.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 27.357 -15.019 9.943 1.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 27.651 -14.320 10.537 1.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 26.559 -15.390 10.387 1.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 25.895 -17.699 16.697 1.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 25.123 -18.144 16.297 1.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 25.969 -18.102 17.588 1.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 29.976 -19.972 9.961 1.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 29.315 -20.439 10.504 1.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 29.632 -19.063 9.894 1.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 23.288 -17.362 13.148 1.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 22.404 -16.984 13.351 1.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 23.508 -17.895 13.943 1.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 21.508 -9.148 24.149 1.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 20.730 -9.654 24.468 1.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 21.202 -8.236 24.135 1.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 25.058 -7.401 22.375 1.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 24.144 -7.350 22.672 1.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 24.987 -7.484 21.401 1.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 25.228 -12.652 6.373 1.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 24.902 -12.032 7.072 1.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 25.993 -13.111 6.796 1.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 23.740 -11.592 4.184 1.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 24.111 -12.039 3.416 1.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 24.365 -11.798 4.906 1.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 29.636 -9.205 23.536 1.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 29.396 -10.062 23.953 1.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 30.457 -9.407 23.041 1.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 24.670 -13.541 19.505 1.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 25.126 -14.369 19.259 1.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 24.875 -12.935 18.773 1.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 31.612 -12.470 23.195 1.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 31.820 -13.137 22.504 1.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 31.924 -11.622 22.816 1.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 24.487 -16.708 23.206 1.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 24.039 -17.517 23.531 1.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 23.756 -16.133 22.897 1.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 26.929 -16.422 24.307 1.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 26.160 -16.358 23.701 1.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 26.742 -17.226 24.835 1.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 32.772 -15.882 23.986 1.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 32.600 -15.121 24.581 1.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 32.617 -15.518 23.085 1.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 23.219 -19.146 23.658 1.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 23.537 -20.032 23.395 1.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 22.939 -19.260 24.597 1.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 22.996 -9.384 13.726 1.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 23.957 -9.331 13.710 1.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 22.812 -10.346 13.734 1.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 16.393 -12.463 15.525 1.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 15.678 -12.786 16.082 1.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 16.833 -13.281 15.209 1.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 19.810 -2.100 20.439 1.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 19.309 -1.337 20.139 1.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 19.163 -2.846 20.393 1.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 27.075 -18.184 14.234 1.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 26.231 -18.466 13.858 1.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 26.835 -17.824 15.117 1.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 20.056 -18.727 15.105 1.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 19.126 -18.407 14.987 1.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 20.046 -19.638 14.739 1.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 27.884 -21.128 11.529 1.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 27.045 -21.614 11.687 1.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 28.253 -20.990 12.427 1.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 23.226 -18.295 10.591 1.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 23.970 -17.817 10.197 1.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 23.171 -17.936 11.507 1.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 32.114 -14.666 21.624 1.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 32.845 -14.595 20.968 1.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 31.378 -15.081 21.115 1.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 27.986 -12.713 29.177 1.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 27.901 -12.220 30.014 1.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 28.078 -13.645 29.460 1.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 27.445 -12.028 31.871 1.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 27.872 -11.642 32.671 1.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 27.096 -12.890 32.185 1.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 21.846 -8.548 33.367 1.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 22.077 -9.292 33.958 1.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 22.637 -8.452 32.789 1.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 26.698 -8.462 31.755 1.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 26.881 -7.774 31.076 1.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 27.533 -8.520 32.264 1.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 28.326 -15.240 30.244 1.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 29.258 -15.490 30.028 1.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 28.312 -15.189 31.206 1.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 21.947 -18.047 33.474 1.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 22.228 -17.252 33.989 1.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 20.977 -18.083 33.607 1.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 29.395 -8.188 30.215 1.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 29.413 -8.394 31.166 1.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 28.797 -7.421 30.150 1.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 24.152 -12.786 32.700 1.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 24.914 -13.350 32.932 1.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 23.477 -13.012 33.363 1.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 23.497 -3.951 34.167 1.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 23.174 -3.822 35.085 1.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 23.995 -3.153 33.977 1.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 19.369 -10.424 25.403 1.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 20.001 -10.401 26.153 1.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 18.543 -10.775 25.808 1.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 23.828 -19.944 30.809 1.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 23.280 -20.298 31.546 1.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 24.048 -19.032 31.089 1.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 27.413 -9.959 25.760 1.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 26.663 -9.385 26.012 1.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 28.104 -9.754 26.416 1.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 28.447 -15.700 26.430 1.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 29.083 -16.441 26.531 1.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 27.987 -15.894 25.579 1.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 31.221 -11.241 26.801 1.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 30.546 -11.941 26.907 1.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 30.764 -10.429 27.068 1.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 24.044 -7.940 31.936 1.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 24.992 -7.763 32.102 1.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 23.787 -7.269 31.266 1.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 26.374 -7.647 37.832 1.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 25.732 -6.900 37.897 1.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 26.633 -7.810 38.744 1.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 29.275 -13.122 26.803 1.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 29.089 -14.080 26.666 1.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 28.828 -12.913 27.657 1.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 27.407 -13.129 36.542 1.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 27.146 -14.045 36.290 1.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 28.015 -13.252 37.281 1.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 27.131 -6.548 29.878 1.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 26.880 -5.628 29.664 1.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 27.025 -7.022 29.023 1.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 21.901 -6.579 37.149 1.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 22.358 -6.724 36.289 1.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 21.225 -7.292 37.183 1.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 23.202 -6.565 34.791 1.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 23.319 -5.673 34.386 1.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 22.624 -7.039 34.164 1.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 24.400 -5.799 38.033 1.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 24.264 -4.888 37.737 1.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 23.523 -6.217 37.927 1.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 24.081 -17.355 31.901 1.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 23.807 -16.520 31.497 1.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 23.327 -17.595 32.487 1.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 32.152 -9.829 22.494 1.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 32.550 -9.418 21.720 1.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 32.461 -9.272 23.248 1.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 34.384 -16.664 26.014 1.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 35.300 -16.667 25.728 1.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 33.879 -16.453 25.200 1.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 26.415 -15.847 28.337 1.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 27.017 -15.736 29.103 1.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 27.017 -15.829 27.563 1.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 30.963 -15.810 29.824 1.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 31.735 -15.584 30.347 1.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 31.297 -15.825 28.898 1.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 22.781 -15.805 34.727 1.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 23.257 -15.790 35.579 1.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 22.456 -14.891 34.617 1.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 26.501 -14.244 33.142 1.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 26.431 -15.215 33.027 1.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 26.648 -14.131 34.095 1.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 22.388 -16.515 29.407 1.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 21.994 -17.414 29.292 1.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 22.033 -16.209 30.270 1.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 24.191 -14.431 29.209 1.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 25.031 -14.816 28.887 1.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 23.588 -15.194 29.271 1.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 26.434 -16.990 33.250 1.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 27.027 -17.662 32.893 1.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 25.566 -17.186 32.825 1.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 32.179 -15.749 27.362 1.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 32.117 -14.926 26.832 1.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 33.036 -16.145 27.085 1.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 27.925 -8.722 35.462 1.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 27.942 -8.402 36.379 1.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 26.985 -8.614 35.193 1.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 32.289 -13.599 25.566 1.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 32.046 -13.226 24.691 1.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 32.228 -12.832 26.171 1.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 29.353 -8.988 27.584 1.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 28.530 -8.455 27.555 1.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 29.625 -8.946 28.528 1.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 21.396 -11.229 36.660 1.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 20.537 -11.522 37.028 1.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 21.305 -10.264 36.588 1.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 28.101 -11.324 34.446 1.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 27.863 -11.919 35.181 1.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 28.141 -10.440 34.858 1.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 24.917 -8.753 26.053 1.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 24.234 -8.229 26.537 1.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 24.419 -9.196 25.340 1.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 26.321 -4.638 27.983 1.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 27.029 -4.728 27.327 1.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 25.515 -4.537 27.451 1.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 29.142 -8.281 33.049 1.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 30.077 -8.121 33.216 1.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 28.755 -8.398 33.946 1.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 32.762 -7.942 24.401 1.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 33.459 -7.591 24.965 1.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 31.936 -7.615 24.810 1.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 20.005 -14.112 36.243 1.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 19.676 -13.375 36.803 1.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 19.242 -14.725 36.186 1.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 24.234 -4.806 25.844 1.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 23.445 -4.524 25.335 1.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 24.792 -5.240 25.190 1.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 30.382 -17.662 26.553 1.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 30.738 -17.957 25.689 1.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 31.074 -17.063 26.904 1.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 27.033 -7.553 27.341 1.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 26.168 -7.802 26.952 1.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 27.336 -6.797 26.788 1.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 24.334 -17.558 27.583 1.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 25.126 -17.045 27.844 1.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 23.648 -17.267 28.209 1.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 26.403 -15.532 35.711 1.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 26.403 -16.208 35.004 1.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 25.601 -15.737 36.240 1.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 28.149 -19.097 27.175 1.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 28.271 -19.758 27.885 1.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 29.014 -18.640 27.116 1.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 23.531 -6.909 27.516 1.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 23.651 -6.054 27.058 1.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 23.327 -6.661 28.440 1.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 22.541 -19.238 26.339 1.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 22.004 -19.446 27.117 1.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 23.240 -18.647 26.684 1.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 23.886 -10.390 23.873 1.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 24.028 -10.648 22.939 1.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 23.014 -9.923 23.866 1.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 21.520 -15.249 31.668 1.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 21.745 -14.557 32.313 1.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 20.724 -15.689 32.058 1.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 20.714 -6.687 31.743 1.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 20.957 -7.440 32.327 1.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 19.844 -6.421 32.051 1.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 28.117 -5.539 25.825 1.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 28.164 -4.915 25.092 1.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 28.939 -6.075 25.736 1.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 30.192 -7.371 25.473 1.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 30.103 -7.930 26.272 1.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 29.925 -7.965 24.735 1.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 24.783 -12.458 35.791 1.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 24.189 -12.937 36.392 1.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 25.673 -12.603 36.164 1.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1245 22.544 -13.636 37.211 1.00 0.00 WAT1 ATOM 5714 H1 TIP3 1245 22.371 -12.669 37.157 1.00 0.00 WAT1 ATOM 5715 H2 TIP3 1245 21.690 -14.041 36.946 1.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1246 24.111 -15.816 37.204 1.00 0.00 WAT1 ATOM 5717 H1 TIP3 1246 23.616 -14.980 37.376 1.00 0.00 WAT1 ATOM 5718 H2 TIP3 1246 23.866 -16.391 37.939 1.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1247 25.234 -8.286 35.356 1.00 0.00 WAT1 ATOM 5720 H1 TIP3 1247 25.492 -8.112 36.284 1.00 0.00 WAT1 ATOM 5721 H2 TIP3 1247 24.558 -7.596 35.162 1.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1248 22.240 -4.447 23.871 1.00 0.00 WAT1 ATOM 5723 H1 TIP3 1248 22.305 -3.769 23.170 1.00 0.00 WAT1 ATOM 5724 H2 TIP3 1248 22.045 -5.270 23.381 1.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1249 23.660 -10.352 34.437 1.00 0.00 WAT1 ATOM 5726 H1 TIP3 1249 24.003 -11.159 34.880 1.00 0.00 WAT1 ATOM 5727 H2 TIP3 1249 24.248 -9.638 34.761 1.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1250 16.743 -13.505 37.705 1.00 0.00 WAT1 ATOM 5729 H1 TIP3 1250 17.067 -14.256 37.166 1.00 0.00 WAT1 ATOM 5730 H2 TIP3 1250 15.964 -13.875 38.185 1.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1251 21.758 -13.263 34.233 1.00 0.00 WAT1 ATOM 5732 H1 TIP3 1251 21.879 -12.327 34.472 1.00 0.00 WAT1 ATOM 5733 H2 TIP3 1251 21.017 -13.560 34.807 1.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1252 22.933 -6.126 30.227 1.00 0.00 WAT1 ATOM 5735 H1 TIP3 1252 22.054 -6.357 30.613 1.00 0.00 WAT1 ATOM 5736 H2 TIP3 1252 23.049 -5.194 30.446 1.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1253 22.531 -3.896 36.767 1.00 0.00 WAT1 ATOM 5738 H1 TIP3 1253 21.899 -3.358 37.252 1.00 0.00 WAT1 ATOM 5739 H2 TIP3 1253 22.216 -4.816 36.902 1.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1254 28.001 -21.178 29.014 1.00 0.00 WAT1 ATOM 5741 H1 TIP3 1254 28.603 -21.789 29.452 1.00 0.00 WAT1 ATOM 5742 H2 TIP3 1254 27.121 -21.393 29.395 1.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1255 21.564 -19.111 29.286 1.00 0.00 WAT1 ATOM 5744 H1 TIP3 1255 20.772 -19.540 29.686 1.00 0.00 WAT1 ATOM 5745 H2 TIP3 1255 22.318 -19.571 29.702 1.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1256 23.879 -24.273 27.498 1.00 0.00 WAT1 ATOM 5747 H1 TIP3 1256 24.389 -25.072 27.262 1.00 0.00 WAT1 ATOM 5748 H2 TIP3 1256 24.270 -23.574 26.959 1.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1257 26.045 -18.627 25.627 1.00 0.00 WAT1 ATOM 5750 H1 TIP3 1257 26.819 -18.886 26.188 1.00 0.00 WAT1 ATOM 5751 H2 TIP3 1257 25.345 -18.411 26.276 1.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1258 19.030 -20.555 36.315 1.00 0.00 WAT1 ATOM 5753 H1 TIP3 1258 18.235 -20.071 35.986 1.00 0.00 WAT1 ATOM 5754 H2 TIP3 1258 18.663 -21.224 36.923 1.00 0.00 WAT1 END