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layer_1.pdb
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HEADER
TITLE MDANALYSIS FRAME 0: Created by PDBWriter
CRYST1 22.496 23.100 100.000 90.00 90.00 90.00 P 1 1
ATOM 1 O WAT X 212 0.760 21.217 65.314 1.00 0.00 SYST O
ATOM 2 H1 WAT X 212 0.633 22.161 65.212 1.00 0.00 SYST H
ATOM 3 H2 WAT X 212 1.620 21.049 64.931 1.00 0.00 SYST H
ATOM 4 EPW WAT X 212 0.838 21.300 65.262 1.00 0.00 SYST
ATOM 5 O WAT X 239 2.505 0.181 67.164 1.00 0.00 SYST O
ATOM 6 H1 WAT X 239 1.772 -0.421 67.294 1.00 0.00 SYST H
ATOM 7 H2 WAT X 239 2.268 0.683 66.385 1.00 0.00 SYST H
ATOM 8 EPW WAT X 239 2.402 0.170 67.095 1.00 0.00 SYST
ATOM 9 O WAT X 473 5.079 0.633 67.490 1.00 0.00 SYST O
ATOM 10 H1 WAT X 473 4.164 0.541 67.227 1.00 0.00 SYST H
ATOM 11 H2 WAT X 473 5.318 1.520 67.220 1.00 0.00 SYST H
ATOM 12 EPW WAT X 473 5.007 0.718 67.433 1.00 0.00 SYST
ATOM 13 O WAT X 302 6.377 21.608 66.134 1.00 0.00 SYST O
ATOM 14 H1 WAT X 302 5.995 22.333 66.628 1.00 0.00 SYST H
ATOM 15 H2 WAT X 302 6.621 20.966 66.800 1.00 0.00 SYST H
ATOM 16 EPW WAT X 302 6.362 21.617 66.257 1.00 0.00 SYST
ATOM 17 O WAT X 294 8.558 22.576 64.875 1.00 0.00 SYST O
ATOM 18 H1 WAT X 294 7.774 22.187 65.262 1.00 0.00 SYST H
ATOM 19 H2 WAT X 294 9.004 21.844 64.450 1.00 0.00 SYST H
ATOM 20 EPW WAT X 294 8.522 22.457 64.871 1.00 0.00 SYST
ATOM 21 O WAT X 68 15.954 22.610 63.675 1.00 0.00 SYST O
ATOM 22 H1 WAT X 68 16.252 21.959 63.040 1.00 0.00 SYST H
ATOM 23 H2 WAT X 68 16.759 23.014 63.999 1.00 0.00 SYST H
ATOM 24 EPW WAT X 68 16.072 22.584 63.641 1.00 0.00 SYST
ATOM 25 O WAT X 124 13.626 20.264 63.109 1.00 0.00 SYST O
ATOM 26 H1 WAT X 124 13.780 20.897 63.810 1.00 0.00 SYST H
ATOM 27 H2 WAT X 124 14.338 20.415 62.488 1.00 0.00 SYST H
ATOM 28 EPW WAT X 124 13.718 20.347 63.117 1.00 0.00 SYST
ATOM 29 O WAT X 354 8.769 2.086 64.594 1.00 0.00 SYST O
ATOM 30 H1 WAT X 354 9.212 1.863 63.775 1.00 0.00 SYST H
ATOM 31 H2 WAT X 354 8.568 1.240 64.994 1.00 0.00 SYST H
ATOM 32 EPW WAT X 354 8.795 1.972 64.549 1.00 0.00 SYST
ATOM 33 O WAT X 11 14.535 1.582 62.660 1.00 0.00 SYST O
ATOM 34 H1 WAT X 11 13.798 1.226 62.163 1.00 0.00 SYST H
ATOM 35 H2 WAT X 11 15.036 0.811 62.929 1.00 0.00 SYST H
ATOM 36 EPW WAT X 11 14.510 1.462 62.636 1.00 0.00 SYST
ATOM 37 O WAT X 319 10.537 4.171 65.935 1.00 0.00 SYST O
ATOM 38 H1 WAT X 319 10.438 3.564 66.669 1.00 0.00 SYST H
ATOM 39 H2 WAT X 319 10.588 3.608 65.163 1.00 0.00 SYST H
ATOM 40 EPW WAT X 319 10.532 4.047 65.931 1.00 0.00 SYST
ATOM 41 O WAT X 398 11.906 3.184 63.611 1.00 0.00 SYST O
ATOM 42 H1 WAT X 398 12.119 3.812 64.302 1.00 0.00 SYST H
ATOM 43 H2 WAT X 398 12.746 2.789 63.379 1.00 0.00 SYST H
ATOM 44 EPW WAT X 398 12.018 3.209 63.660 1.00 0.00 SYST
ATOM 45 O WAT X 102 0.282 0.871 64.616 1.00 0.00 SYST O
ATOM 46 H1 WAT X 102 0.960 0.656 63.976 1.00 0.00 SYST H
ATOM 47 H2 WAT X 102 0.461 1.780 64.857 1.00 0.00 SYST H
ATOM 48 EPW WAT X 102 0.373 0.945 64.574 1.00 0.00 SYST
ATOM 49 O WAT X 339 15.302 4.024 63.910 1.00 0.00 SYST O
ATOM 50 H1 WAT X 339 15.206 3.188 63.454 1.00 0.00 SYST H
ATOM 51 H2 WAT X 339 16.151 4.359 63.621 1.00 0.00 SYST H
ATOM 52 EPW WAT X 339 15.382 3.971 63.831 1.00 0.00 SYST
ATOM 53 O WAT X 202 1.134 3.373 65.043 1.00 0.00 SYST O
ATOM 54 H1 WAT X 202 1.148 3.904 64.247 1.00 0.00 SYST H
ATOM 55 H2 WAT X 202 2.057 3.236 65.257 1.00 0.00 SYST H
ATOM 56 EPW WAT X 202 1.234 3.415 64.981 1.00 0.00 SYST
ATOM 57 O WAT X 298 6.917 4.259 64.991 1.00 0.00 SYST O
ATOM 58 H1 WAT X 298 7.145 5.179 65.119 1.00 0.00 SYST H
ATOM 59 H2 WAT X 298 7.733 3.785 65.149 1.00 0.00 SYST H
ATOM 60 EPW WAT X 298 7.028 4.306 65.021 1.00 0.00 SYST
ATOM 61 O WAT X 413 19.664 6.061 63.488 1.00 0.00 SYST O
ATOM 62 H1 WAT X 413 20.142 6.852 63.241 1.00 0.00 SYST H
ATOM 63 H2 WAT X 413 20.294 5.351 63.363 1.00 0.00 SYST H
ATOM 64 EPW WAT X 413 19.782 6.070 63.449 1.00 0.00 SYST
ATOM 65 O WAT X 461 4.223 4.035 64.780 1.00 0.00 SYST O
ATOM 66 H1 WAT X 461 5.167 3.961 64.922 1.00 0.00 SYST H
ATOM 67 H2 WAT X 461 4.045 3.446 64.047 1.00 0.00 SYST H
ATOM 68 EPW WAT X 461 4.305 3.965 64.717 1.00 0.00 SYST
ATOM 69 O WAT X 385 13.977 6.227 63.966 1.00 0.00 SYST O
ATOM 70 H1 WAT X 385 14.556 5.504 63.725 1.00 0.00 SYST H
ATOM 71 H2 WAT X 385 14.479 6.730 64.608 1.00 0.00 SYST H
ATOM 72 EPW WAT X 385 14.092 6.203 64.009 1.00 0.00 SYST
ATOM 73 O WAT X 458 11.123 6.825 64.311 1.00 0.00 SYST O
ATOM 74 H1 WAT X 458 10.896 6.232 65.028 1.00 0.00 SYST H
ATOM 75 H2 WAT X 458 12.034 6.616 64.106 1.00 0.00 SYST H
ATOM 76 EPW WAT X 458 11.196 6.739 64.366 1.00 0.00 SYST
ATOM 77 O WAT X 76 21.456 10.287 63.946 1.00 0.00 SYST O
ATOM 78 H1 WAT X 76 20.597 10.708 63.926 1.00 0.00 SYST H
ATOM 79 H2 WAT X 76 21.314 9.433 63.537 1.00 0.00 SYST H
ATOM 80 EPW WAT X 76 21.349 10.241 63.901 1.00 0.00 SYST
ATOM 81 O WAT X 328 2.018 6.572 62.135 1.00 0.00 SYST O
ATOM 82 H1 WAT X 328 2.839 6.450 62.611 1.00 0.00 SYST H
ATOM 83 H2 WAT X 328 2.285 6.683 61.222 1.00 0.00 SYST H
ATOM 84 EPW WAT X 328 2.134 6.571 62.088 1.00 0.00 SYST
ATOM 85 O WAT X 518 4.399 6.177 63.119 1.00 0.00 SYST O
ATOM 86 H1 WAT X 518 4.408 5.438 63.726 1.00 0.00 SYST H
ATOM 87 H2 WAT X 518 4.805 6.894 63.607 1.00 0.00 SYST H
ATOM 88 EPW WAT X 518 4.444 6.175 63.236 1.00 0.00 SYST
ATOM 89 O WAT X 61 5.964 8.449 64.055 1.00 0.00 SYST O
ATOM 90 H1 WAT X 61 6.842 8.071 64.101 1.00 0.00 SYST H
ATOM 91 H2 WAT X 61 6.112 9.394 64.019 1.00 0.00 SYST H
ATOM 92 EPW WAT X 61 6.073 8.510 64.056 1.00 0.00 SYST
ATOM 93 O WAT X 26 8.295 7.041 64.341 1.00 0.00 SYST O
ATOM 94 H1 WAT X 26 8.440 6.807 63.425 1.00 0.00 SYST H
ATOM 95 H2 WAT X 26 8.982 7.678 64.538 1.00 0.00 SYST H
ATOM 96 EPW WAT X 26 8.384 7.084 64.265 1.00 0.00 SYST
ATOM 97 O WAT X 317 19.531 12.095 64.659 1.00 0.00 SYST O
ATOM 98 H1 WAT X 317 19.834 11.457 65.304 1.00 0.00 SYST H
ATOM 99 H2 WAT X 317 19.964 12.912 64.908 1.00 0.00 SYST H
ATOM 100 EPW WAT X 317 19.610 12.114 64.754 1.00 0.00 SYST
ATOM 101 O WAT X 372 1.088 11.488 62.307 1.00 0.00 SYST O
ATOM 102 H1 WAT X 372 0.712 12.368 62.317 1.00 0.00 SYST H
ATOM 103 H2 WAT X 372 0.594 11.009 62.972 1.00 0.00 SYST H
ATOM 104 EPW WAT X 372 0.995 11.531 62.379 1.00 0.00 SYST
ATOM 105 O WAT X 336 5.873 11.220 64.238 1.00 0.00 SYST O
ATOM 106 H1 WAT X 336 6.285 11.988 63.843 1.00 0.00 SYST H
ATOM 107 H2 WAT X 336 5.018 11.160 63.812 1.00 0.00 SYST H
ATOM 108 EPW WAT X 336 5.826 11.295 64.150 1.00 0.00 SYST
ATOM 109 O WAT X 321 7.021 12.674 66.332 1.00 0.00 SYST O
ATOM 110 H1 WAT X 321 6.786 12.220 67.141 1.00 0.00 SYST H
ATOM 111 H2 WAT X 321 6.504 12.239 65.654 1.00 0.00 SYST H
ATOM 112 EPW WAT X 321 6.941 12.579 66.346 1.00 0.00 SYST
ATOM 113 O WAT X 51 10.009 9.743 63.544 1.00 0.00 SYST O
ATOM 114 H1 WAT X 51 10.912 9.721 63.861 1.00 0.00 SYST H
ATOM 115 H2 WAT X 51 9.828 10.673 63.404 1.00 0.00 SYST H
ATOM 116 EPW WAT X 51 10.086 9.840 63.563 1.00 0.00 SYST
ATOM 117 O WAT X 450 10.192 13.167 65.955 1.00 0.00 SYST O
ATOM 118 H1 WAT X 450 9.580 12.755 66.565 1.00 0.00 SYST H
ATOM 119 H2 WAT X 450 9.753 13.972 65.683 1.00 0.00 SYST H
ATOM 120 EPW WAT X 450 10.080 13.209 65.991 1.00 0.00 SYST
ATOM 121 O WAT X 387 1.397 14.419 66.351 1.00 0.00 SYST O
ATOM 122 H1 WAT X 387 1.727 15.212 65.929 1.00 0.00 SYST H
ATOM 123 H2 WAT X 387 2.147 13.826 66.368 1.00 0.00 SYST H
ATOM 124 EPW WAT X 387 1.512 14.440 66.308 1.00 0.00 SYST
ATOM 125 O WAT X 278 13.157 14.079 65.380 1.00 0.00 SYST O
ATOM 126 H1 WAT X 278 13.909 13.906 65.946 1.00 0.00 SYST H
ATOM 127 H2 WAT X 278 12.438 13.589 65.779 1.00 0.00 SYST H
ATOM 128 EPW WAT X 278 13.161 14.009 65.483 1.00 0.00 SYST
ATOM 129 O WAT X 185 17.890 10.732 62.613 1.00 0.00 SYST O
ATOM 130 H1 WAT X 185 18.349 11.347 63.186 1.00 0.00 SYST H
ATOM 131 H2 WAT X 185 17.374 11.289 62.030 1.00 0.00 SYST H
ATOM 132 EPW WAT X 185 17.884 10.857 62.612 1.00 0.00 SYST
ATOM 133 O WAT X 14 21.487 14.216 64.688 1.00 0.00 SYST O
ATOM 134 H1 WAT X 14 21.305 15.155 64.648 1.00 0.00 SYST H
ATOM 135 H2 WAT X 14 22.324 14.153 65.148 1.00 0.00 SYST H
ATOM 136 EPW WAT X 14 21.557 14.310 64.733 1.00 0.00 SYST
ATOM 137 O WAT X 478 7.844 15.117 65.472 1.00 0.00 SYST O
ATOM 138 H1 WAT X 478 7.491 14.405 66.006 1.00 0.00 SYST H
ATOM 139 H2 WAT X 478 7.320 15.097 64.671 1.00 0.00 SYST H
ATOM 140 EPW WAT X 478 7.750 15.039 65.443 1.00 0.00 SYST
ATOM 141 O WAT X 344 2.906 16.897 64.920 1.00 0.00 SYST O
ATOM 142 H1 WAT X 344 2.142 17.458 64.782 1.00 0.00 SYST H
ATOM 143 H2 WAT X 344 3.580 17.489 65.256 1.00 0.00 SYST H
ATOM 144 EPW WAT X 344 2.896 17.020 64.941 1.00 0.00 SYST
ATOM 145 O WAT X 250 16.879 15.013 62.478 1.00 0.00 SYST O
ATOM 146 H1 WAT X 250 17.303 14.210 62.781 1.00 0.00 SYST H
ATOM 147 H2 WAT X 250 16.070 14.715 62.063 1.00 0.00 SYST H
ATOM 148 EPW WAT X 250 16.838 14.896 62.466 1.00 0.00 SYST
ATOM 149 O WAT X 418 20.684 16.666 64.674 1.00 0.00 SYST O
ATOM 150 H1 WAT X 418 19.962 16.889 64.086 1.00 0.00 SYST H
ATOM 151 H2 WAT X 418 21.231 17.452 64.689 1.00 0.00 SYST H
ATOM 152 EPW WAT X 418 20.666 16.774 64.613 1.00 0.00 SYST
ATOM 153 O WAT X 128 7.860 17.991 65.244 1.00 0.00 SYST O
ATOM 154 H1 WAT X 128 7.082 18.087 64.693 1.00 0.00 SYST H
ATOM 155 H2 WAT X 128 7.948 17.046 65.371 1.00 0.00 SYST H
ATOM 156 EPW WAT X 128 7.786 17.901 65.199 1.00 0.00 SYST
ATOM 157 O WAT X 249 8.218 19.614 67.420 1.00 0.00 SYST O
ATOM 158 H1 WAT X 249 8.154 19.063 66.639 1.00 0.00 SYST H
ATOM 159 H2 WAT X 249 8.300 18.995 68.144 1.00 0.00 SYST H
ATOM 160 EPW WAT X 249 8.220 19.489 67.414 1.00 0.00 SYST
ATOM 161 O WAT X 259 11.578 16.109 63.666 1.00 0.00 SYST O
ATOM 162 H1 WAT X 259 11.802 15.518 62.948 1.00 0.00 SYST H
ATOM 163 H2 WAT X 259 12.003 15.725 64.434 1.00 0.00 SYST H
ATOM 164 EPW WAT X 259 11.647 16.005 63.672 1.00 0.00 SYST
ATOM 165 O WAT X 288 15.197 17.938 62.879 1.00 0.00 SYST O
ATOM 166 H1 WAT X 288 15.196 17.258 63.552 1.00 0.00 SYST H
ATOM 167 H2 WAT X 288 14.936 18.734 63.344 1.00 0.00 SYST H
ATOM 168 EPW WAT X 288 15.169 17.951 63.001 1.00 0.00 SYST
ATOM 169 O WAT X 448 0.620 18.272 64.295 1.00 0.00 SYST O
ATOM 170 H1 WAT X 448 0.454 19.015 64.875 1.00 0.00 SYST H
ATOM 171 H2 WAT X 448 0.956 18.667 63.490 1.00 0.00 SYST H
ATOM 172 EPW WAT X 448 0.638 18.394 64.271 1.00 0.00 SYST
ATOM 173 O WAT X 189 11.422 18.902 63.579 1.00 0.00 SYST O
ATOM 174 H1 WAT X 189 11.649 18.042 63.934 1.00 0.00 SYST H
ATOM 175 H2 WAT X 189 12.265 19.323 63.412 1.00 0.00 SYST H
ATOM 176 EPW WAT X 189 11.536 18.855 63.599 1.00 0.00 SYST
ATOM 177 O WAT X 431 3.927 20.868 63.904 1.00 0.00 SYST O
ATOM 178 H1 WAT X 431 4.030 20.002 63.511 1.00 0.00 SYST H
ATOM 179 H2 WAT X 431 4.535 20.869 64.644 1.00 0.00 SYST H
ATOM 180 EPW WAT X 431 4.003 20.776 63.941 1.00 0.00 SYST
ATOM 181 O WAT X 108 9.109 20.050 64.057 1.00 0.00 SYST O
ATOM 182 H1 WAT X 108 10.030 19.789 64.052 1.00 0.00 SYST H
ATOM 183 H2 WAT X 108 8.689 19.437 64.660 1.00 0.00 SYST H
ATOM 184 EPW WAT X 108 9.162 19.957 64.121 1.00 0.00 SYST
CONECT 33 34 35 36
CONECT 34 33 35
CONECT 35 33 34
CONECT 36 33
CONECT 133 134 135 136
CONECT 134 133 135
CONECT 135 133 134
CONECT 136 133
CONECT 93 94 95 96
CONECT 94 93 95
CONECT 95 93 94
CONECT 96 93
CONECT 113 114 115 116
CONECT 114 113 115
CONECT 115 113 114
CONECT 116 113
CONECT 89 90 91 92
CONECT 90 89 91
CONECT 91 89 90
CONECT 92 89
CONECT 21 22 23 24
CONECT 22 21 23
CONECT 23 21 22
CONECT 24 21
CONECT 77 78 79 80
CONECT 78 77 79
CONECT 79 77 78
CONECT 80 77
CONECT 45 46 47 48
CONECT 46 45 47
CONECT 47 45 46
CONECT 48 45
CONECT 181 182 183 184
CONECT 182 181 183
CONECT 183 181 182
CONECT 184 181
CONECT 25 26 27 28
CONECT 26 25 27
CONECT 27 25 26
CONECT 28 25
CONECT 153 154 155 156
CONECT 154 153 155
CONECT 155 153 154
CONECT 156 153
CONECT 129 130 131 132
CONECT 130 129 131
CONECT 131 129 130
CONECT 132 129
CONECT 173 174 175 176
CONECT 174 173 175
CONECT 175 173 174
CONECT 176 173
CONECT 53 54 55 56
CONECT 54 53 55
CONECT 55 53 54
CONECT 56 53
CONECT 1 2 3 4
CONECT 2 1 3
CONECT 3 1 2
CONECT 4 1
CONECT 5 6 7 8
CONECT 6 5 7
CONECT 7 5 6
CONECT 8 5
CONECT 157 158 159 160
CONECT 158 157 159
CONECT 159 157 158
CONECT 160 157
CONECT 145 146 147 148
CONECT 146 145 147
CONECT 147 145 146
CONECT 148 145
CONECT 161 162 163 164
CONECT 162 161 163
CONECT 163 161 162
CONECT 164 161
CONECT 125 126 127 128
CONECT 126 125 127
CONECT 127 125 126
CONECT 128 125
CONECT 165 166 167 168
CONECT 166 165 167
CONECT 167 165 166
CONECT 168 165
CONECT 17 18 19 20
CONECT 18 17 19
CONECT 19 17 18
CONECT 20 17
CONECT 57 58 59 60
CONECT 58 57 59
CONECT 59 57 58
CONECT 60 57
CONECT 13 14 15 16
CONECT 14 13 15
CONECT 15 13 14
CONECT 16 13
CONECT 97 98 99 100
CONECT 98 97 99
CONECT 99 97 98
CONECT 100 97
CONECT 37 38 39 40
CONECT 38 37 39
CONECT 39 37 38
CONECT 40 37
CONECT 109 110 111 112
CONECT 110 109 111
CONECT 111 109 110
CONECT 112 109
CONECT 81 82 83 84
CONECT 82 81 83
CONECT 83 81 82
CONECT 84 81
CONECT 105 106 107 108
CONECT 106 105 107
CONECT 107 105 106
CONECT 108 105
CONECT 49 50 51 52
CONECT 50 49 51
CONECT 51 49 50
CONECT 52 49
CONECT 141 142 143 144
CONECT 142 141 143
CONECT 143 141 142
CONECT 144 141
CONECT 29 30 31 32
CONECT 30 29 31
CONECT 31 29 30
CONECT 32 29
CONECT 101 102 103 104
CONECT 102 101 103
CONECT 103 101 102
CONECT 104 101
CONECT 69 70 71 72
CONECT 70 69 71
CONECT 71 69 70
CONECT 72 69
CONECT 121 122 123 124
CONECT 122 121 123
CONECT 123 121 122
CONECT 124 121
CONECT 41 42 43 44
CONECT 42 41 43
CONECT 43 41 42
CONECT 44 41
CONECT 61 62 63 64
CONECT 62 61 63
CONECT 63 61 62
CONECT 64 61
CONECT 149 150 151 152
CONECT 150 149 151
CONECT 151 149 150
CONECT 152 149
CONECT 177 178 179 180
CONECT 178 177 179
CONECT 179 177 178
CONECT 180 177
CONECT 169 170 171 172
CONECT 170 169 171
CONECT 171 169 170
CONECT 172 169
CONECT 117 118 119 120
CONECT 118 117 119
CONECT 119 117 118
CONECT 120 117
CONECT 73 74 75 76
CONECT 74 73 75
CONECT 75 73 74
CONECT 76 73
CONECT 65 66 67 68
CONECT 66 65 67
CONECT 67 65 66
CONECT 68 65
CONECT 9 10 11 12
CONECT 10 9 11
CONECT 11 9 10
CONECT 12 9
CONECT 137 138 139 140
CONECT 138 137 139
CONECT 139 137 138
CONECT 140 137
CONECT 85 86 87 88
CONECT 86 85 87
CONECT 87 85 86
CONECT 88 85
END