# HG changeset patch
# User chemteam
# Date 1538991089 14400
# Node ID 0b8a0ce446f5d60eb4506b3f3023a86ef1f3df36
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
diff -r 000000000000 -r 0b8a0ce446f5 macros_packmol.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/macros_packmol.xml Mon Oct 08 05:31:29 2018 -0400
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diff -r 000000000000 -r 0b8a0ce446f5 packmol.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/packmol.xml Mon Oct 08 05:31:29 2018 -0400
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+ Initial configurations for Molecular Dynamics Simulations by packing optimization
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+ macros_packmol.xml
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+ packmol
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+ 10.1002/jcc.21224
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diff -r 000000000000 -r 0b8a0ce446f5 template.j2
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/template.j2 Mon Oct 08 05:31:29 2018 -0400
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+# Template for packmol in Galaxy
+#
+
+tolerance {{ allparams.tolerance }}
+nloop {{ allparams.nloop }}
+maxit {{ allparams.maxit }}
+seed {{ allparams.seed }}
+filetype {{packmol_format.selected_format}}
+output {{outfile}}
+
+{% for struct in packmol_format.packmol_inputs %}
+structure {{struct.file}}
+# Galaxy datasetname - {{struct.datasetname}}
+ number {{struct.structureparams.number}}
+ radius {{struct.structureparams.radius}}
+ resnumbers {{struct.structureparams.resnumbers}}
+{% for c in struct.structureparams.constraints_repeat %}
+ {% if c.constraints.constraint == 'fixed' %}
+ {% if c.constraints.center == 'Yes' %}
+ center
+ {% endif %}
+ {{c.constraints.constraint}} {{c.constraints.x}} {{c.constraints.y}} {{c.constraints.z}} {{c.constraints.a}} {{c.constraints.b}} {{c.constraints.g}}
+ {% elif c.constraints.constraint == 'cube' %}
+ {{c.constraints.placement}} {{c.constraints.constraint}} {{c.constraints.xmin}} {{c.constraints.ymin}} {{c.constraints.zmin}} {{c.constraints.d}}
+ {% elif c.constraints.constraint == 'box' %}
+ {{c.constraints.placement}} {{c.constraints.constraint}} {{c.constraints.xmin}} {{c.constraints.ymin}} {{c.constraints.zmin}} {{c.constraints.xmax}} {{c.constraints.ymax}} {{c.constraints.zmax}}
+ {% elif c.constraints.constraint == 'sphere' %}
+ {{c.constraints.placement}} {{c.constraints.constraint}} {{c.constraints.a}} {{c.constraints.b}} {{c.constraints.c}} {{c.constraints.d}}
+ {% elif c.constraints.constraint == 'ellipsoid' %}
+ {{c.constraints.placement}} {{c.constraints.constraint}} {{c.constraints.a1}} {{c.constraints.b1}} {{c.constraints.c1}} {{c.constraints.a2}} {{c.constraints.b2}} {{c.constraints.c2}} {{c.constraints.d}}
+ {% elif c.constraints.constraint == 'plane' %}
+ {{c.constraints.placement}} {{c.constraints.constraint}} {{c.constraints.a}} {{c.constraints.b}} {{c.constraints.c}} {{c.constraints.d}}
+ {% elif c.constraints.constraint == 'cylinder' %}
+ {{c.constraints.placement}} {{c.constraints.constraint}} {{c.constraints.a1}} {{c.constraints.b1}} {{c.constraints.c1}} {{c.constraints.a2}} {{c.constraints.b2}} {{c.constraints.c2}} {{c.constraints.d}} {{c.constraints.l}}
+ {% else %}
+ unknowntype specified {{c.constraints}}
+{% endif %}
+{% endfor %}
+end structure
+
+{% endfor %}
+
diff -r 000000000000 -r 0b8a0ce446f5 test-data/packmol_outfile1.pdb
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/packmol_outfile1.pdb Mon Oct 08 05:31:29 2018 -0400
@@ -0,0 +1,306 @@
+HEADER
+TITLE Built with Packmol
+REMARK Packmol generated pdb file
+REMARK Home-Page: http://www.ime.unicamp.br/~martinez/packmol
+REMARK
+HETATM 1 H HOH A 1 9.274 18.459 24.988
+HETATM 2 H HOH A 1 7.739 18.902 24.651
+HETATM 3 O HOH A 1 8.666 18.832 24.286
+HETATM 4 H HOH A 2 38.440 20.929 14.513
+HETATM 5 H HOH A 2 39.987 21.222 14.946
+HETATM 6 O HOH A 2 39.331 20.512 14.694
+HETATM 7 H HOH A 3 3.756 39.733 36.425
+HETATM 8 H HOH A 3 5.149 39.108 37.002
+HETATM 9 O HOH A 3 4.744 39.672 36.284
+HETATM 10 H HOH A 4 36.428 26.732 19.466
+HETATM 11 H HOH A 4 36.144 28.169 20.189
+HETATM 12 O HOH A 4 36.799 27.643 19.648
+HETATM 13 H HOH A 5 25.380 10.824 25.072
+HETATM 14 H HOH A 5 24.509 11.242 26.389
+HETATM 15 O HOH A 5 24.596 11.352 25.399
+HETATM 16 H HOH A 6 22.963 27.548 3.198
+HETATM 17 H HOH A 6 21.510 28.033 3.764
+HETATM 18 O HOH A 6 22.367 28.337 3.349
+HETATM 19 H HOH A 7 5.703 4.916 6.848
+HETATM 20 H HOH A 7 6.380 3.446 7.074
+HETATM 21 O HOH A 7 6.564 4.424 6.983
+HETATM 22 H HOH A 8 22.545 21.992 36.433
+HETATM 23 H HOH A 8 21.587 22.436 37.678
+HETATM 24 O HOH A 8 22.287 22.747 37.036
+HETATM 25 H HOH A 9 25.853 36.397 30.817
+HETATM 26 H HOH A 9 26.030 37.979 30.455
+HETATM 27 O HOH A 9 26.405 37.216 30.979
+HETATM 28 H HOH A 10 29.624 32.655 32.811
+HETATM 29 H HOH A 10 29.363 31.221 32.074
+HETATM 30 O HOH A 10 29.962 32.019 32.116
+HETATM 31 H HOH A 11 22.570 6.775 9.646
+HETATM 32 H HOH A 11 24.062 6.675 10.304
+HETATM 33 O HOH A 11 23.272 7.271 10.158
+HETATM 34 H HOH A 12 1.908 0.785 8.972
+HETATM 35 H HOH A 12 1.194 1.700 7.823
+HETATM 36 O HOH A 12 1.072 1.271 8.717
+HETATM 37 H HOH A 13 25.533 20.545 24.058
+HETATM 38 H HOH A 13 24.666 19.262 24.578
+HETATM 39 O HOH A 13 25.461 19.548 24.043
+HETATM 40 H HOH A 14 2.975 24.413 16.764
+HETATM 41 H HOH A 14 1.842 23.518 17.526
+HETATM 42 O HOH A 14 2.706 23.486 17.025
+HETATM 43 H HOH A 15 8.204 13.660 15.248
+HETATM 44 H HOH A 15 8.924 12.494 14.360
+HETATM 45 O HOH A 15 8.998 13.055 15.184
+HETATM 46 H HOH A 16 5.023 33.627 9.840
+HETATM 47 H HOH A 16 4.272 32.436 10.666
+HETATM 48 O HOH A 16 4.983 33.136 10.711
+HETATM 49 H HOH A 17 37.934 32.056 24.627
+HETATM 50 H HOH A 17 36.413 32.638 24.518
+HETATM 51 O HOH A 17 37.375 32.831 24.331
+HETATM 52 H HOH A 18 20.733 3.775 27.494
+HETATM 53 H HOH A 18 20.147 5.243 27.905
+HETATM 54 O HOH A 18 20.976 4.691 27.816
+HETATM 55 H HOH A 19 32.722 36.128 16.018
+HETATM 56 H HOH A 19 31.659 35.372 15.036
+HETATM 57 O HOH A 19 31.755 36.030 15.782
+HETATM 58 H HOH A 20 7.199 3.298 26.446
+HETATM 59 H HOH A 20 6.318 3.915 27.675
+HETATM 60 O HOH A 20 6.964 3.199 27.413
+HETATM 61 H HOH A 21 32.534 6.760 19.195
+HETATM 62 H HOH A 21 31.107 7.452 18.804
+HETATM 63 O HOH A 21 31.570 6.586 18.994
+HETATM 64 H HOH A 22 8.806 20.117 29.150
+HETATM 65 H HOH A 22 7.408 20.932 29.367
+HETATM 66 O HOH A 22 8.394 21.025 29.238
+HETATM 67 H HOH A 23 30.800 10.075 22.032
+HETATM 68 H HOH A 23 31.929 9.050 21.449
+HETATM 69 O HOH A 23 30.959 9.159 21.663
+HETATM 70 H HOH A 24 6.004 36.438 6.326
+HETATM 71 H HOH A 24 6.903 35.819 7.541
+HETATM 72 O HOH A 24 6.560 36.662 7.127
+HETATM 73 H HOH A 25 18.514 7.667 22.303
+HETATM 74 H HOH A 25 17.611 9.023 22.186
+HETATM 75 O HOH A 25 17.596 8.025 22.130
+HETATM 76 H HOH A 26 36.136 37.724 23.390
+HETATM 77 H HOH A 26 36.229 38.275 21.855
+HETATM 78 O HOH A 26 35.850 37.563 22.445
+HETATM 79 H HOH A 27 24.654 27.734 33.930
+HETATM 80 H HOH A 27 23.689 28.894 33.307
+HETATM 81 O HOH A 27 24.560 28.715 33.763
+HETATM 82 H HOH A 28 15.046 2.165 16.891
+HETATM 83 H HOH A 28 14.140 1.505 18.078
+HETATM 84 O HOH A 28 14.838 2.189 17.869
+HETATM 85 H HOH A 29 18.604 27.124 1.200
+HETATM 86 H HOH A 29 19.497 25.875 0.643
+HETATM 87 O HOH A 29 19.299 26.445 1.439
+HETATM 88 H HOH A 30 27.285 19.166 12.303
+HETATM 89 H HOH A 30 26.683 17.848 11.549
+HETATM 90 O HOH A 30 26.451 18.658 12.087
+HETATM 91 H HOH A 31 26.577 28.772 8.274
+HETATM 92 H HOH A 31 26.246 27.187 8.061
+HETATM 93 O HOH A 31 25.856 28.078 8.290
+HETATM 94 H HOH A 32 33.250 33.795 26.484
+HETATM 95 H HOH A 32 34.671 34.599 26.518
+HETATM 96 O HOH A 32 34.146 33.888 26.051
+HETATM 97 H HOH A 33 2.091 32.887 17.019
+HETATM 98 H HOH A 33 3.566 32.274 17.356
+HETATM 99 O HOH A 33 2.677 32.081 16.943
+HETATM 100 H HOH A 34 6.497 26.562 19.565
+HETATM 101 H HOH A 34 6.307 24.955 19.782
+HETATM 102 O HOH A 34 6.588 25.664 19.135
+HETATM 103 H HOH A 35 0.455 14.906 10.771
+HETATM 104 H HOH A 35 2.049 15.258 10.725
+HETATM 105 O HOH A 35 1.129 15.616 10.567
+HETATM 106 H HOH A 36 8.134 32.594 10.871
+HETATM 107 H HOH A 36 8.779 33.972 11.464
+HETATM 108 O HOH A 36 8.895 32.982 11.391
+HETATM 109 H HOH A 37 1.393 1.087 17.490
+HETATM 110 H HOH A 37 2.857 1.798 17.623
+HETATM 111 O HOH A 37 2.352 0.943 17.734
+HETATM 112 H HOH A 38 21.041 5.492 37.106
+HETATM 113 H HOH A 38 21.388 3.899 37.190
+HETATM 114 O HOH A 38 21.754 4.821 37.311
+HETATM 115 H HOH A 39 28.136 21.938 39.161
+HETATM 116 H HOH A 39 28.162 21.855 37.531
+HETATM 117 O HOH A 39 28.700 21.725 38.363
+HETATM 118 H HOH A 40 16.999 40.000 6.311
+HETATM 119 H HOH A 40 15.982 38.752 6.033
+HETATM 120 O HOH A 40 16.808 39.219 5.717
+HETATM 121 H HOH A 41 32.400 24.937 17.412
+HETATM 122 H HOH A 41 33.291 25.553 18.634
+HETATM 123 O HOH A 41 33.002 25.687 17.687
+HETATM 124 H HOH A 42 29.504 28.175 2.944
+HETATM 125 H HOH A 42 28.260 27.220 2.488
+HETATM 126 O HOH A 42 28.510 28.061 2.965
+HETATM 127 H HOH A 43 26.623 34.733 26.729
+HETATM 128 H HOH A 43 27.836 34.162 27.661
+HETATM 129 O HOH A 43 26.868 34.066 27.433
+HETATM 130 H HOH A 44 20.714 34.309 5.878
+HETATM 131 H HOH A 44 21.829 35.498 5.976
+HETATM 132 O HOH A 44 20.865 35.296 5.808
+HETATM 133 H HOH A 45 7.447 15.652 13.355
+HETATM 134 H HOH A 45 7.555 17.282 13.341
+HETATM 135 O HOH A 45 6.925 16.506 13.350
+HETATM 136 H HOH A 46 19.171 34.099 27.734
+HETATM 137 H HOH A 46 20.219 32.962 27.208
+HETATM 138 O HOH A 46 20.050 33.655 27.909
+HETATM 139 H HOH A 47 24.744 19.904 26.899
+HETATM 140 H HOH A 47 23.782 18.604 26.667
+HETATM 141 O HOH A 47 24.257 19.156 27.352
+HETATM 142 H HOH A 48 11.399 6.125 16.466
+HETATM 143 H HOH A 48 13.024 5.977 16.400
+HETATM 144 O HOH A 48 12.164 5.482 16.518
+HETATM 145 H HOH A 49 18.699 23.090 22.352
+HETATM 146 H HOH A 49 20.234 23.635 22.236
+HETATM 147 O HOH A 49 19.484 23.197 21.741
+HETATM 148 H HOH A 50 10.433 27.054 24.812
+HETATM 149 H HOH A 50 11.257 25.740 25.322
+HETATM 150 O HOH A 50 11.340 26.690 25.024
+HETATM 151 H HOH A 51 22.719 21.805 20.005
+HETATM 152 H HOH A 51 23.638 20.463 20.150
+HETATM 153 O HOH A 51 22.705 20.819 20.175
+HETATM 154 H HOH A 52 38.818 32.401 7.033
+HETATM 155 H HOH A 52 37.896 31.139 6.561
+HETATM 156 O HOH A 52 38.742 31.404 7.024
+HETATM 157 H HOH A 53 6.118 32.275 31.657
+HETATM 158 H HOH A 53 4.876 32.811 30.742
+HETATM 159 O HOH A 53 5.185 32.634 31.676
+HETATM 160 H HOH A 54 30.401 20.896 1.856
+HETATM 161 H HOH A 54 31.268 19.519 1.716
+HETATM 162 O HOH A 54 30.376 19.942 1.557
+HETATM 163 H HOH A 55 6.677 9.215 27.497
+HETATM 164 H HOH A 55 5.578 8.008 27.440
+HETATM 165 O HOH A 55 5.726 8.966 27.683
+HETATM 166 H HOH A 56 15.016 11.279 15.403
+HETATM 167 H HOH A 56 13.384 11.208 15.398
+HETATM 168 O HOH A 56 14.175 11.820 15.401
+HETATM 169 H HOH A 57 16.179 8.982 6.276
+HETATM 170 H HOH A 57 17.469 9.663 7.010
+HETATM 171 O HOH A 57 16.601 9.189 7.158
+HETATM 172 H HOH A 58 5.867 1.526 26.341
+HETATM 173 H HOH A 58 6.578 0.240 25.628
+HETATM 174 O HOH A 58 6.725 1.165 25.976
+HETATM 175 H HOH A 59 12.416 27.046 22.755
+HETATM 176 H HOH A 59 13.579 27.583 23.769
+HETATM 177 O HOH A 59 13.400 27.183 22.870
+HETATM 178 H HOH A 60 15.378 7.306 23.929
+HETATM 179 H HOH A 60 15.446 8.687 23.061
+HETATM 180 O HOH A 60 14.859 7.929 23.344
+HETATM 181 H HOH A 61 18.178 33.487 20.975
+HETATM 182 H HOH A 61 19.782 33.325 20.714
+HETATM 183 O HOH A 61 18.872 33.147 20.340
+HETATM 184 H HOH A 62 3.822 29.985 30.575
+HETATM 185 H HOH A 62 5.030 28.887 30.628
+HETATM 186 O HOH A 62 4.040 29.009 30.564
+HETATM 187 H HOH A 63 18.230 22.656 19.898
+HETATM 188 H HOH A 63 18.939 23.521 18.708
+HETATM 189 O HOH A 63 18.474 23.576 19.591
+HETATM 190 H HOH A 64 32.165 28.476 12.508
+HETATM 191 H HOH A 64 31.516 26.997 12.752
+HETATM 192 O HOH A 64 31.315 27.971 12.661
+HETATM 193 H HOH A 65 13.800 24.899 37.016
+HETATM 194 H HOH A 65 13.654 25.592 38.487
+HETATM 195 O HOH A 65 13.799 24.731 38.002
+HETATM 196 H HOH A 66 33.602 37.581 0.272
+HETATM 197 H HOH A 66 34.884 37.623 1.282
+HETATM 198 O HOH A 66 33.954 37.279 1.158
+HETATM 199 H HOH A 67 35.545 21.312 39.239
+HETATM 200 H HOH A 67 35.380 22.936 39.297
+HETATM 201 O HOH A 67 34.889 22.068 39.235
+HETATM 202 H HOH A 68 1.241 10.944 3.591
+HETATM 203 H HOH A 68 0.634 10.051 2.366
+HETATM 204 O HOH A 68 1.144 10.878 2.598
+HETATM 205 H HOH A 69 3.538 21.330 9.448
+HETATM 206 H HOH A 69 3.615 19.986 10.371
+HETATM 207 O HOH A 69 3.724 20.979 10.366
+HETATM 208 H HOH A 70 26.016 36.318 9.437
+HETATM 209 H HOH A 70 24.978 37.501 9.003
+HETATM 210 O HOH A 70 25.103 36.513 9.077
+HETATM 211 H HOH A 71 18.443 18.333 16.648
+HETATM 212 H HOH A 71 17.190 18.109 15.625
+HETATM 213 O HOH A 71 17.794 17.664 16.286
+HETATM 214 H HOH A 72 33.932 10.217 33.212
+HETATM 215 H HOH A 72 33.513 11.613 32.475
+HETATM 216 O HOH A 72 34.157 10.849 32.470
+HETATM 217 H HOH A 73 13.661 30.923 35.883
+HETATM 218 H HOH A 73 13.841 29.311 36.068
+HETATM 219 O HOH A 73 14.315 30.191 36.075
+HETATM 220 H HOH A 74 28.305 35.526 39.600
+HETATM 221 H HOH A 74 27.284 34.585 38.742
+HETATM 222 O HOH A 74 27.345 35.347 39.385
+HETATM 223 H HOH A 75 1.953 19.500 33.641
+HETATM 224 H HOH A 75 2.052 21.130 33.618
+HETATM 225 O HOH A 75 2.567 20.283 33.747
+HETATM 226 H HOH A 76 34.026 3.334 37.627
+HETATM 227 H HOH A 76 32.870 4.454 37.905
+HETATM 228 O HOH A 76 33.833 4.314 37.675
+HETATM 229 H HOH A 77 25.347 17.202 17.880
+HETATM 230 H HOH A 77 26.697 16.539 18.517
+HETATM 231 O HOH A 77 26.078 17.323 18.552
+HETATM 232 H HOH A 78 7.169 19.499 0.560
+HETATM 233 H HOH A 78 8.038 20.881 0.596
+HETATM 234 O HOH A 78 7.147 20.483 0.379
+HETATM 235 H HOH A 79 15.480 32.956 26.442
+HETATM 236 H HOH A 79 16.570 33.758 27.357
+HETATM 237 O HOH A 79 16.139 33.708 26.456
+HETATM 238 H HOH A 80 15.287 5.452 25.868
+HETATM 239 H HOH A 80 15.147 6.684 26.930
+HETATM 240 O HOH A 80 14.743 5.825 26.619
+HETATM 241 H HOH A 81 8.528 10.512 12.563
+HETATM 242 H HOH A 81 7.910 12.018 12.433
+HETATM 243 O HOH A 81 7.692 11.043 12.422
+HETATM 244 H HOH A 82 22.601 16.692 6.424
+HETATM 245 H HOH A 82 23.006 18.263 6.241
+HETATM 246 O HOH A 82 22.456 17.514 5.873
+HETATM 247 H HOH A 83 28.848 14.366 20.694
+HETATM 248 H HOH A 83 28.671 12.747 20.816
+HETATM 249 O HOH A 83 28.186 13.617 20.732
+HETATM 250 H HOH A 84 4.145 20.838 13.646
+HETATM 251 H HOH A 84 3.174 21.209 14.905
+HETATM 252 O HOH A 84 3.301 21.302 13.918
+HETATM 253 H HOH A 85 36.314 14.381 30.404
+HETATM 254 H HOH A 85 37.185 14.841 31.707
+HETATM 255 O HOH A 85 37.063 14.128 31.017
+HETATM 256 H HOH A 86 21.365 14.264 11.548
+HETATM 257 H HOH A 86 22.773 14.009 10.762
+HETATM 258 O HOH A 86 22.132 14.706 11.082
+HETATM 259 H HOH A 87 34.896 11.110 8.540
+HETATM 260 H HOH A 87 36.056 11.074 9.689
+HETATM 261 O HOH A 87 35.880 11.172 8.710
+HETATM 262 H HOH A 88 11.617 31.553 14.100
+HETATM 263 H HOH A 88 10.061 31.062 14.041
+HETATM 264 O HOH A 88 10.890 31.079 14.598
+HETATM 265 H HOH A 89 9.644 23.483 39.343
+HETATM 266 H HOH A 89 8.318 24.428 39.220
+HETATM 267 O HOH A 89 9.108 24.063 38.729
+HETATM 268 H HOH A 90 31.221 14.405 25.689
+HETATM 269 H HOH A 90 29.903 13.620 25.129
+HETATM 270 O HOH A 90 30.233 14.290 25.793
+HETATM 271 H HOH A 91 0.698 39.943 24.679
+HETATM 272 H HOH A 91 0.098 38.450 24.401
+HETATM 273 O HOH A 91 0.927 38.973 24.595
+HETATM 274 H HOH A 92 13.710 2.270 37.555
+HETATM 275 H HOH A 92 14.712 1.320 38.428
+HETATM 276 O HOH A 92 14.530 2.256 38.128
+HETATM 277 H HOH A 93 30.810 22.813 33.200
+HETATM 278 H HOH A 93 30.849 21.181 33.212
+HETATM 279 O HOH A 93 30.253 21.983 33.223
+HETATM 280 H HOH A 94 13.006 18.513 1.360
+HETATM 281 H HOH A 94 12.193 17.841 2.607
+HETATM 282 O HOH A 94 12.105 18.232 1.691
+HETATM 283 H HOH A 95 34.249 6.193 20.751
+HETATM 284 H HOH A 95 34.196 7.803 21.017
+HETATM 285 O HOH A 95 33.803 6.921 21.273
+HETATM 286 H HOH A 96 39.513 38.648 1.366
+HETATM 287 H HOH A 96 39.946 37.719 2.638
+HETATM 288 O HOH A 96 39.313 37.807 1.870
+HETATM 289 H HOH A 97 39.580 22.335 30.984
+HETATM 290 H HOH A 97 38.435 21.174 30.899
+HETATM 291 O HOH A 97 39.351 21.440 30.601
+HETATM 292 H HOH A 98 15.157 27.942 5.491
+HETATM 293 H HOH A 98 14.011 26.781 5.409
+HETATM 294 O HOH A 98 14.176 27.767 5.400
+HETATM 295 H HOH A 99 12.832 12.991 17.051
+HETATM 296 H HOH A 99 13.338 13.396 18.550
+HETATM 297 O HOH A 99 12.771 12.763 18.023
+HETATM 298 H HOH A 100 12.618 22.846 20.145
+HETATM 299 H HOH A 100 12.208 21.772 21.305
+HETATM 300 O HOH A 100 12.469 22.720 21.126
+END
diff -r 000000000000 -r 0b8a0ce446f5 test-data/packmol_outfile2.pdb
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/packmol_outfile2.pdb Mon Oct 08 05:31:29 2018 -0400
@@ -0,0 +1,6206 @@
+HEADER
+TITLE Built with Packmol
+REMARK Packmol generated pdb file
+REMARK Home-Page: http://www.ime.unicamp.br/~martinez/packmol
+REMARK
+HETATM 1 H HOH A 1 2.385 24.122 0.119
+HETATM 2 H HOH A 1 2.006 22.544 0.305
+HETATM 3 O HOH A 1 1.643 23.475 0.303
+HETATM 4 H HOH A 2 16.854 10.994 20.320
+HETATM 5 H HOH A 2 17.163 12.347 21.180
+HETATM 6 O HOH A 2 16.505 11.895 20.578
+HETATM 7 H HOH A 3 22.852 27.560 16.919
+HETATM 8 H HOH A 3 22.253 26.042 16.972
+HETATM 9 O HOH A 3 22.022 27.007 16.850
+HETATM 10 H HOH A 4 24.450 30.140 20.847
+HETATM 11 H HOH A 4 23.406 28.929 21.181
+HETATM 12 O HOH A 4 23.523 29.921 21.153
+HETATM 13 H HOH A 5 36.734 35.594 34.812
+HETATM 14 H HOH A 5 37.604 34.580 35.751
+HETATM 15 O HOH A 5 37.143 34.684 34.870
+HETATM 16 H HOH A 6 19.713 34.571 34.235
+HETATM 17 H HOH A 6 20.498 35.905 34.756
+HETATM 18 O HOH A 6 19.645 35.388 34.808
+HETATM 19 H HOH A 7 36.984 36.850 39.773
+HETATM 20 H HOH A 7 36.605 38.140 38.846
+HETATM 21 O HOH A 7 36.372 37.636 39.677
+HETATM 22 H HOH A 8 8.163 37.579 5.945
+HETATM 23 H HOH A 8 7.472 38.749 5.039
+HETATM 24 O HOH A 8 7.314 37.882 5.512
+HETATM 25 H HOH A 9 11.757 7.586 5.085
+HETATM 26 H HOH A 9 10.533 6.537 5.347
+HETATM 27 O HOH A 9 10.768 7.498 5.206
+HETATM 28 H HOH A 10 9.516 35.171 5.485
+HETATM 29 H HOH A 10 8.815 33.845 4.841
+HETATM 30 O HOH A 10 8.646 34.709 5.313
+HETATM 31 H HOH A 11 6.372 27.789 38.494
+HETATM 32 H HOH A 11 7.099 27.347 39.887
+HETATM 33 O HOH A 11 6.853 28.121 39.305
+HETATM 34 H HOH A 12 29.153 23.000 32.754
+HETATM 35 H HOH A 12 28.068 21.818 32.452
+HETATM 36 O HOH A 12 28.380 22.728 32.182
+HETATM 37 H HOH A 13 20.195 -0.004 27.989
+HETATM 38 H HOH A 13 21.139 1.295 28.287
+HETATM 39 O HOH A 13 20.865 0.392 28.617
+HETATM 40 H HOH A 14 10.418 21.031 2.909
+HETATM 41 H HOH A 14 9.761 22.518 3.062
+HETATM 42 O HOH A 14 10.616 22.010 2.964
+HETATM 43 H HOH A 15 31.210 17.895 21.940
+HETATM 44 H HOH A 15 31.973 18.845 23.027
+HETATM 45 O HOH A 15 32.096 18.258 22.228
+HETATM 46 H HOH A 16 11.086 23.831 30.350
+HETATM 47 H HOH A 16 10.432 23.470 31.802
+HETATM 48 O HOH A 16 11.207 23.305 31.192
+HETATM 49 H HOH A 17 0.887 29.605 23.960
+HETATM 50 H HOH A 17 -0.001 29.099 22.686
+HETATM 51 O HOH A 17 0.105 29.817 23.373
+HETATM 52 H HOH A 18 9.765 38.619 16.544
+HETATM 53 H HOH A 18 9.141 39.931 15.798
+HETATM 54 O HOH A 18 9.003 38.961 15.992
+HETATM 55 H HOH A 19 26.800 34.928 35.183
+HETATM 56 H HOH A 19 26.327 34.392 33.715
+HETATM 57 O HOH A 19 27.108 34.515 34.326
+HETATM 58 H HOH A 20 12.789 6.164 38.693
+HETATM 59 H HOH A 20 12.881 4.571 38.347
+HETATM 60 O HOH A 20 13.335 5.455 38.246
+HETATM 61 H HOH A 21 24.713 33.303 20.207
+HETATM 62 H HOH A 21 23.712 34.158 19.241
+HETATM 63 O HOH A 21 23.757 33.477 19.971
+HETATM 64 H HOH A 22 19.751 7.596 16.378
+HETATM 65 H HOH A 22 18.490 8.635 16.390
+HETATM 66 O HOH A 22 19.487 8.561 16.380
+HETATM 67 H HOH A 23 28.889 2.440 39.510
+HETATM 68 H HOH A 23 29.422 3.914 39.967
+HETATM 69 O HOH A 23 29.608 2.933 40.000
+HETATM 70 H HOH A 24 10.163 15.812 27.462
+HETATM 71 H HOH A 24 11.560 16.234 28.195
+HETATM 72 O HOH A 24 11.155 15.887 27.350
+HETATM 73 H HOH A 25 16.944 2.901 25.062
+HETATM 74 H HOH A 25 18.320 3.676 24.648
+HETATM 75 O HOH A 25 17.493 3.725 25.206
+HETATM 76 H HOH A 26 28.671 29.606 37.416
+HETATM 77 H HOH A 26 30.301 29.675 37.348
+HETATM 78 O HOH A 26 29.507 29.072 37.291
+HETATM 79 H HOH A 27 28.424 6.939 40.001
+HETATM 80 H HOH A 27 26.960 6.231 39.845
+HETATM 81 O HOH A 27 27.438 7.103 39.948
+HETATM 82 H HOH A 28 18.219 29.972 11.531
+HETATM 83 H HOH A 28 18.798 31.473 11.811
+HETATM 84 O HOH A 28 17.975 30.938 11.626
+HETATM 85 H HOH A 29 8.297 28.552 34.673
+HETATM 86 H HOH A 29 7.011 29.416 35.189
+HETATM 87 O HOH A 29 8.004 29.418 35.079
+HETATM 88 H HOH A 30 1.146 31.577 21.648
+HETATM 89 H HOH A 30 2.612 30.908 21.910
+HETATM 90 O HOH A 30 1.628 30.735 21.891
+HETATM 91 H HOH A 31 29.080 12.993 17.195
+HETATM 92 H HOH A 31 30.424 12.175 16.757
+HETATM 93 O HOH A 31 30.028 12.788 17.440
+HETATM 94 H HOH A 32 32.899 25.317 14.788
+HETATM 95 H HOH A 32 32.397 24.045 15.681
+HETATM 96 O HOH A 32 33.177 24.453 15.207
+HETATM 97 H HOH A 33 9.771 15.885 17.973
+HETATM 98 H HOH A 33 10.215 14.348 18.298
+HETATM 99 O HOH A 33 10.496 15.306 18.345
+HETATM 100 H HOH A 34 20.032 -0.003 25.799
+HETATM 101 H HOH A 34 21.653 0.009 25.602
+HETATM 102 O HOH A 34 20.842 0.579 25.730
+HETATM 103 H HOH A 35 19.862 -0.001 14.845
+HETATM 104 H HOH A 35 19.224 1.446 15.254
+HETATM 105 O HOH A 35 20.012 0.841 15.364
+HETATM 106 H HOH A 36 37.990 13.186 15.671
+HETATM 107 H HOH A 36 38.976 13.492 16.937
+HETATM 108 O HOH A 36 38.563 12.773 16.379
+HETATM 109 H HOH A 37 29.887 38.681 6.361
+HETATM 110 H HOH A 37 29.633 37.071 6.452
+HETATM 111 O HOH A 37 30.299 37.801 6.597
+HETATM 112 H HOH A 38 27.289 25.681 29.446
+HETATM 113 H HOH A 38 27.381 24.053 29.358
+HETATM 114 O HOH A 38 27.709 24.863 29.841
+HETATM 115 H HOH A 39 19.551 21.877 35.201
+HETATM 116 H HOH A 39 19.329 20.322 34.753
+HETATM 117 O HOH A 39 18.868 21.177 34.990
+HETATM 118 H HOH A 40 5.168 13.668 37.596
+HETATM 119 H HOH A 40 3.741 12.875 37.555
+HETATM 120 O HOH A 40 4.544 13.080 38.113
+HETATM 121 H HOH A 41 34.532 38.887 38.550
+HETATM 122 H HOH A 41 33.602 37.566 38.789
+HETATM 123 O HOH A 41 33.616 38.502 38.437
+HETATM 124 H HOH A 42 26.216 4.885 -0.000
+HETATM 125 H HOH A 42 25.071 5.498 0.990
+HETATM 126 O HOH A 42 25.371 4.683 0.496
+HETATM 127 H HOH A 43 39.842 33.308 32.947
+HETATM 128 H HOH A 43 38.210 33.315 33.009
+HETATM 129 O HOH A 43 39.017 33.803 32.676
+HETATM 130 H HOH A 44 27.568 18.621 10.382
+HETATM 131 H HOH A 44 26.851 19.882 9.631
+HETATM 132 O HOH A 44 26.695 18.996 10.067
+HETATM 133 H HOH A 45 11.657 15.636 13.621
+HETATM 134 H HOH A 45 10.453 14.911 12.791
+HETATM 135 O HOH A 45 11.215 14.762 13.420
+HETATM 136 H HOH A 46 17.835 36.139 3.342
+HETATM 137 H HOH A 46 17.380 35.281 4.655
+HETATM 138 O HOH A 46 17.798 36.133 4.342
+HETATM 139 H HOH A 47 12.904 23.295 21.509
+HETATM 140 H HOH A 47 12.025 24.448 22.260
+HETATM 141 O HOH A 47 12.926 24.217 21.895
+HETATM 142 H HOH A 48 25.669 10.339 2.918
+HETATM 143 H HOH A 48 26.149 11.842 3.339
+HETATM 144 O HOH A 48 25.997 10.911 3.670
+HETATM 145 H HOH A 49 9.323 18.528 23.541
+HETATM 146 H HOH A 49 10.114 17.099 23.543
+HETATM 147 O HOH A 49 9.214 17.533 23.548
+HETATM 148 H HOH A 50 13.659 32.403 25.838
+HETATM 149 H HOH A 50 12.456 31.351 26.174
+HETATM 150 O HOH A 50 13.432 31.535 26.282
+HETATM 151 H HOH A 51 8.566 7.263 20.617
+HETATM 152 H HOH A 51 7.065 7.305 21.259
+HETATM 153 O HOH A 51 7.659 7.679 20.548
+HETATM 154 H HOH A 52 31.862 19.179 0.000
+HETATM 155 H HOH A 52 32.868 20.462 0.091
+HETATM 156 O HOH A 52 32.820 19.465 0.044
+HETATM 157 H HOH A 53 37.522 33.303 30.544
+HETATM 158 H HOH A 53 37.844 34.904 30.526
+HETATM 159 O HOH A 53 37.303 34.176 30.107
+HETATM 160 H HOH A 54 10.132 5.660 11.245
+HETATM 161 H HOH A 54 11.748 5.892 11.240
+HETATM 162 O HOH A 54 11.023 5.205 11.242
+HETATM 163 H HOH A 55 30.331 31.565 14.196
+HETATM 164 H HOH A 55 29.631 30.133 14.549
+HETATM 165 O HOH A 55 29.622 30.913 13.925
+HETATM 166 H HOH A 56 14.185 40.000 37.691
+HETATM 167 H HOH A 56 14.517 39.602 36.143
+HETATM 168 O HOH A 56 14.577 39.300 37.093
+HETATM 169 H HOH A 57 12.415 29.734 8.269
+HETATM 170 H HOH A 57 13.297 30.185 9.568
+HETATM 171 O HOH A 57 13.195 29.498 8.850
+HETATM 172 H HOH A 58 40.001 22.078 36.127
+HETATM 173 H HOH A 58 40.000 22.870 37.556
+HETATM 174 O HOH A 58 39.443 22.346 36.913
+HETATM 175 H HOH A 59 28.226 12.269 2.758
+HETATM 176 H HOH A 59 27.294 12.186 1.420
+HETATM 177 O HOH A 59 28.184 11.952 1.810
+HETATM 178 H HOH A 60 12.995 3.932 19.360
+HETATM 179 H HOH A 60 13.803 3.849 17.944
+HETATM 180 O HOH A 60 13.896 3.986 18.930
+HETATM 181 H HOH A 61 27.237 4.224 23.149
+HETATM 182 H HOH A 61 26.149 4.170 24.365
+HETATM 183 O HOH A 61 26.712 4.772 23.800
+HETATM 184 H HOH A 62 38.337 34.598 19.545
+HETATM 185 H HOH A 62 39.092 36.028 19.769
+HETATM 186 O HOH A 62 39.201 35.091 19.441
+HETATM 187 H HOH A 63 11.746 35.887 35.978
+HETATM 188 H HOH A 63 13.154 36.197 35.210
+HETATM 189 O HOH A 63 12.179 36.417 35.249
+HETATM 190 H HOH A 64 2.631 11.179 0.951
+HETATM 191 H HOH A 64 3.287 10.025 -0.000
+HETATM 192 O HOH A 64 2.461 10.554 0.189
+HETATM 193 H HOH A 65 26.029 5.903 21.250
+HETATM 194 H HOH A 65 25.143 6.881 22.212
+HETATM 195 O HOH A 65 25.813 6.855 21.471
+HETATM 196 H HOH A 66 9.049 18.154 3.219
+HETATM 197 H HOH A 66 7.497 18.560 3.527
+HETATM 198 O HOH A 66 8.415 18.916 3.354
+HETATM 199 H HOH A 67 22.650 32.742 28.587
+HETATM 200 H HOH A 67 23.906 32.654 27.547
+HETATM 201 O HOH A 67 23.447 32.204 28.312
+HETATM 202 H HOH A 68 17.409 10.992 10.023
+HETATM 203 H HOH A 68 18.663 9.974 10.262
+HETATM 204 O HOH A 68 17.673 10.035 10.144
+HETATM 205 H HOH A 69 31.086 36.107 31.845
+HETATM 206 H HOH A 69 29.746 36.288 32.760
+HETATM 207 O HOH A 69 30.237 35.673 32.145
+HETATM 208 H HOH A 70 22.487 10.222 30.634
+HETATM 209 H HOH A 70 23.689 9.995 29.552
+HETATM 210 O HOH A 70 23.360 10.575 30.297
+HETATM 211 H HOH A 71 18.738 23.350 29.890
+HETATM 212 H HOH A 71 19.016 22.552 28.492
+HETATM 213 O HOH A 71 18.372 23.136 28.984
+HETATM 214 H HOH A 72 25.126 6.760 13.759
+HETATM 215 H HOH A 72 24.772 8.105 14.615
+HETATM 216 O HOH A 72 25.375 7.310 14.556
+HETATM 217 H HOH A 73 18.760 5.007 37.299
+HETATM 218 H HOH A 73 19.666 5.290 35.971
+HETATM 219 O HOH A 73 18.757 5.039 36.299
+HETATM 220 H HOH A 74 30.896 1.338 35.105
+HETATM 221 H HOH A 74 31.496 0.450 36.337
+HETATM 222 O HOH A 74 31.044 1.307 36.094
+HETATM 223 H HOH A 75 12.317 2.802 27.509
+HETATM 224 H HOH A 75 12.338 3.019 29.127
+HETATM 225 O HOH A 75 12.327 2.338 28.395
+HETATM 226 H HOH A 76 22.282 16.147 30.286
+HETATM 227 H HOH A 76 22.749 16.027 28.725
+HETATM 228 O HOH A 76 22.678 16.641 29.511
+HETATM 229 H HOH A 77 33.599 8.339 33.968
+HETATM 230 H HOH A 77 33.259 6.758 34.192
+HETATM 231 O HOH A 77 33.993 7.428 34.086
+HETATM 232 H HOH A 78 39.902 37.856 5.632
+HETATM 233 H HOH A 78 38.861 38.945 6.261
+HETATM 234 O HOH A 78 38.937 38.072 5.781
+HETATM 235 H HOH A 79 26.357 34.310 21.267
+HETATM 236 H HOH A 79 27.896 34.531 21.766
+HETATM 237 O HOH A 79 27.198 33.849 21.551
+HETATM 238 H HOH A 80 23.085 16.797 4.124
+HETATM 239 H HOH A 80 22.478 18.235 4.604
+HETATM 240 O HOH A 80 22.506 17.568 3.860
+HETATM 241 H HOH A 81 3.280 27.892 33.848
+HETATM 242 H HOH A 81 4.004 26.666 33.048
+HETATM 243 O HOH A 81 3.742 27.010 33.949
+HETATM 244 H HOH A 82 37.090 6.820 26.882
+HETATM 245 H HOH A 82 35.687 7.652 26.953
+HETATM 246 O HOH A 82 36.097 6.759 26.772
+HETATM 247 H HOH A 83 23.621 30.984 18.786
+HETATM 248 H HOH A 83 24.113 29.427 18.792
+HETATM 249 O HOH A 83 24.402 30.374 18.652
+HETATM 250 H HOH A 84 8.714 29.536 18.889
+HETATM 251 H HOH A 84 7.720 30.817 19.083
+HETATM 252 O HOH A 84 8.656 30.534 18.875
+HETATM 253 H HOH A 85 20.434 36.682 24.342
+HETATM 254 H HOH A 85 20.312 35.182 23.707
+HETATM 255 O HOH A 85 20.101 36.149 23.564
+HETATM 256 H HOH A 86 34.225 0.712 10.833
+HETATM 257 H HOH A 86 34.015 0.075 12.322
+HETATM 258 O HOH A 86 33.759 -0.000 11.359
+HETATM 259 H HOH A 87 31.133 11.433 27.168
+HETATM 260 H HOH A 87 32.241 11.326 28.362
+HETATM 261 O HOH A 87 31.938 10.937 27.493
+HETATM 262 H HOH A 88 15.544 35.675 7.241
+HETATM 263 H HOH A 88 16.671 36.856 7.241
+HETATM 264 O HOH A 88 16.526 35.868 7.241
+HETATM 265 H HOH A 89 10.869 15.743 2.870
+HETATM 266 H HOH A 89 9.256 15.531 3.018
+HETATM 267 O HOH A 89 10.016 16.156 3.192
+HETATM 268 H HOH A 90 7.908 25.145 18.706
+HETATM 269 H HOH A 90 9.381 24.452 18.839
+HETATM 270 O HOH A 90 8.865 25.300 18.953
+HETATM 271 H HOH A 91 0.092 20.635 10.186
+HETATM 272 H HOH A 91 0.836 19.309 9.590
+HETATM 273 O HOH A 91 -0.005 19.657 10.004
+HETATM 274 H HOH A 92 20.853 17.648 20.576
+HETATM 275 H HOH A 92 20.516 17.647 22.173
+HETATM 276 O HOH A 92 21.066 17.222 21.455
+HETATM 277 H HOH A 93 38.846 26.660 22.454
+HETATM 278 H HOH A 93 37.366 26.104 22.045
+HETATM 279 O HOH A 93 37.863 26.843 22.498
+HETATM 280 H HOH A 94 20.185 27.689 27.410
+HETATM 281 H HOH A 94 20.289 26.090 27.096
+HETATM 282 O HOH A 94 19.956 26.775 27.744
+HETATM 283 H HOH A 95 20.361 38.244 22.795
+HETATM 284 H HOH A 95 21.725 38.977 23.311
+HETATM 285 O HOH A 95 20.821 39.124 22.912
+HETATM 286 H HOH A 96 39.603 24.548 18.565
+HETATM 287 H HOH A 96 39.825 22.931 18.609
+HETATM 288 O HOH A 96 39.146 23.663 18.658
+HETATM 289 H HOH A 97 18.055 5.260 0.903
+HETATM 290 H HOH A 97 18.269 5.404 2.516
+HETATM 291 O HOH A 97 17.779 5.764 1.722
+HETATM 292 H HOH A 98 20.716 20.034 20.170
+HETATM 293 H HOH A 98 21.713 20.524 21.367
+HETATM 294 O HOH A 98 21.621 19.917 20.578
+HETATM 295 H HOH A 99 5.476 14.161 22.007
+HETATM 296 H HOH A 99 4.342 13.101 21.498
+HETATM 297 O HOH A 99 4.531 14.063 21.693
+HETATM 298 H HOH A 100 27.233 28.851 3.265
+HETATM 299 H HOH A 100 27.611 30.275 3.968
+HETATM 300 O HOH A 100 26.895 29.588 3.850
+HETATM 301 H HOH A 101 26.631 28.384 35.033
+HETATM 302 H HOH A 101 27.544 29.657 35.494
+HETATM 303 O HOH A 101 26.611 29.341 35.324
+HETATM 304 H HOH A 102 30.644 25.723 5.820
+HETATM 305 H HOH A 102 29.498 26.572 5.025
+HETATM 306 O HOH A 102 29.851 26.322 5.926
+HETATM 307 H HOH A 103 33.254 7.976 13.312
+HETATM 308 H HOH A 103 32.890 6.641 14.178
+HETATM 309 O HOH A 103 33.592 7.089 13.626
+HETATM 310 H HOH A 104 17.558 22.563 20.438
+HETATM 311 H HOH A 104 18.302 21.956 19.118
+HETATM 312 O HOH A 104 18.423 22.216 20.076
+HETATM 313 H HOH A 105 10.253 5.171 38.994
+HETATM 314 H HOH A 105 9.270 5.999 40.000
+HETATM 315 O HOH A 105 9.730 6.014 39.113
+HETATM 316 H HOH A 106 34.157 31.579 16.829
+HETATM 317 H HOH A 106 35.082 31.348 15.503
+HETATM 318 O HOH A 106 35.010 31.184 16.487
+HETATM 319 H HOH A 107 18.720 29.876 14.341
+HETATM 320 H HOH A 107 19.019 28.365 13.798
+HETATM 321 O HOH A 107 18.881 28.927 14.613
+HETATM 322 H HOH A 108 17.052 15.527 32.109
+HETATM 323 H HOH A 108 16.167 14.406 32.901
+HETATM 324 O HOH A 108 16.684 14.598 32.067
+HETATM 325 H HOH A 109 11.710 33.412 25.991
+HETATM 326 H HOH A 109 10.780 34.754 25.991
+HETATM 327 O HOH A 109 11.697 34.397 26.165
+HETATM 328 H HOH A 110 17.225 39.670 20.251
+HETATM 329 H HOH A 110 17.374 39.987 21.846
+HETATM 330 O HOH A 110 17.844 40.000 20.964
+HETATM 331 H HOH A 111 18.373 2.244 18.421
+HETATM 332 H HOH A 111 19.918 1.752 18.228
+HETATM 333 O HOH A 111 19.091 1.648 18.780
+HETATM 334 H HOH A 112 19.983 10.191 23.063
+HETATM 335 H HOH A 112 19.684 11.764 23.382
+HETATM 336 O HOH A 112 20.350 11.025 23.475
+HETATM 337 H HOH A 113 7.825 14.844 35.124
+HETATM 338 H HOH A 113 9.114 15.845 35.085
+HETATM 339 O HOH A 113 8.599 15.158 34.574
+HETATM 340 H HOH A 114 7.550 26.047 10.872
+HETATM 341 H HOH A 114 8.723 26.913 11.607
+HETATM 342 O HOH A 114 8.419 25.992 11.365
+HETATM 343 H HOH A 115 9.665 26.342 31.888
+HETATM 344 H HOH A 115 11.119 25.674 31.562
+HETATM 345 O HOH A 115 10.541 26.478 31.424
+HETATM 346 H HOH A 116 0.004 2.025 30.931
+HETATM 347 H HOH A 116 1.329 2.977 31.013
+HETATM 348 O HOH A 116 0.335 2.952 31.114
+HETATM 349 H HOH A 117 32.567 31.263 1.410
+HETATM 350 H HOH A 117 32.723 32.445 2.525
+HETATM 351 O HOH A 117 32.667 32.248 1.547
+HETATM 352 H HOH A 118 28.512 17.704 0.140
+HETATM 353 H HOH A 118 28.915 18.884 1.194
+HETATM 354 O HOH A 118 28.681 18.684 0.243
+HETATM 355 H HOH A 119 22.792 13.452 39.021
+HETATM 356 H HOH A 119 24.191 14.049 38.427
+HETATM 357 O HOH A 119 23.434 13.420 38.255
+HETATM 358 H HOH A 120 12.222 28.026 33.350
+HETATM 359 H HOH A 120 11.751 29.503 33.862
+HETATM 360 O HOH A 120 11.997 28.579 34.152
+HETATM 361 H HOH A 121 0.676 29.638 34.200
+HETATM 362 H HOH A 121 0.550 30.853 33.116
+HETATM 363 O HOH A 121 0.235 30.514 34.002
+HETATM 364 H HOH A 122 15.945 13.841 12.938
+HETATM 365 H HOH A 122 16.203 12.245 13.169
+HETATM 366 O HOH A 122 15.570 13.002 13.332
+HETATM 367 H HOH A 123 23.547 5.721 19.586
+HETATM 368 H HOH A 123 24.974 4.927 19.585
+HETATM 369 O HOH A 123 24.542 5.828 19.582
+HETATM 370 H HOH A 124 14.259 24.164 13.030
+HETATM 371 H HOH A 124 12.683 24.018 13.433
+HETATM 372 O HOH A 124 13.413 24.665 13.213
+HETATM 373 H HOH A 125 24.833 7.166 31.154
+HETATM 374 H HOH A 125 23.787 6.009 30.670
+HETATM 375 O HOH A 125 24.646 6.184 31.150
+HETATM 376 H HOH A 126 27.242 5.876 11.630
+HETATM 377 H HOH A 126 27.284 5.751 13.257
+HETATM 378 O HOH A 126 26.697 5.922 12.467
+HETATM 379 H HOH A 127 13.358 8.452 25.112
+HETATM 380 H HOH A 127 12.034 9.317 25.520
+HETATM 381 O HOH A 127 12.371 8.547 24.980
+HETATM 382 H HOH A 128 24.097 33.485 25.437
+HETATM 383 H HOH A 128 24.219 33.142 23.845
+HETATM 384 O HOH A 128 24.535 32.893 24.760
+HETATM 385 H HOH A 129 10.051 18.251 0.037
+HETATM 386 H HOH A 129 10.976 17.493 1.149
+HETATM 387 O HOH A 129 10.959 17.875 0.226
+HETATM 388 H HOH A 130 22.586 29.325 32.259
+HETATM 389 H HOH A 130 23.180 27.817 32.457
+HETATM 390 O HOH A 130 22.371 28.350 32.211
+HETATM 391 H HOH A 131 7.175 24.408 13.278
+HETATM 392 H HOH A 131 5.578 24.555 12.968
+HETATM 393 O HOH A 131 6.286 23.954 13.339
+HETATM 394 H HOH A 132 2.230 21.635 28.279
+HETATM 395 H HOH A 132 1.845 21.430 29.852
+HETATM 396 O HOH A 132 2.247 22.056 29.185
+HETATM 397 H HOH A 133 5.470 22.490 21.897
+HETATM 398 H HOH A 133 6.231 21.845 23.190
+HETATM 399 O HOH A 133 5.497 21.712 22.525
+HETATM 400 H HOH A 134 36.598 10.688 40.000
+HETATM 401 H HOH A 134 36.255 9.183 39.467
+HETATM 402 O HOH A 134 35.904 10.113 39.564
+HETATM 403 H HOH A 135 10.343 31.419 29.564
+HETATM 404 H HOH A 135 11.878 30.861 29.558
+HETATM 405 O HOH A 135 11.308 31.682 29.532
+HETATM 406 H HOH A 136 3.784 3.643 20.297
+HETATM 407 H HOH A 136 2.910 2.263 20.269
+HETATM 408 O HOH A 136 3.817 2.658 20.127
+HETATM 409 H HOH A 137 24.504 24.282 23.623
+HETATM 410 H HOH A 137 25.915 24.314 24.446
+HETATM 411 O HOH A 137 25.071 24.814 24.253
+HETATM 412 H HOH A 138 14.487 3.091 8.094
+HETATM 413 H HOH A 138 13.335 2.260 7.289
+HETATM 414 O HOH A 138 13.587 2.660 8.169
+HETATM 415 H HOH A 139 19.262 2.299 0.110
+HETATM 416 H HOH A 139 20.882 2.477 -0.000
+HETATM 417 O HOH A 139 20.136 1.815 0.059
+HETATM 418 H HOH A 140 15.242 31.009 22.768
+HETATM 419 H HOH A 140 16.447 29.909 22.722
+HETATM 420 O HOH A 140 16.234 30.883 22.780
+HETATM 421 H HOH A 141 37.027 14.991 33.672
+HETATM 422 H HOH A 141 37.037 16.036 34.927
+HETATM 423 O HOH A 141 36.562 15.774 34.088
+HETATM 424 H HOH A 142 14.467 18.703 24.002
+HETATM 425 H HOH A 142 14.687 20.157 23.293
+HETATM 426 O HOH A 142 15.126 19.293 23.536
+HETATM 427 H HOH A 143 2.356 7.638 37.562
+HETATM 428 H HOH A 143 2.443 9.210 37.127
+HETATM 429 O HOH A 143 2.875 8.314 37.037
+HETATM 430 H HOH A 144 37.997 13.345 26.873
+HETATM 431 H HOH A 144 39.444 12.592 26.944
+HETATM 432 O HOH A 144 38.988 13.480 26.901
+HETATM 433 H HOH A 145 14.855 35.115 24.541
+HETATM 434 H HOH A 145 16.245 35.612 23.841
+HETATM 435 O HOH A 145 15.684 34.816 24.067
+HETATM 436 H HOH A 146 27.557 26.089 26.447
+HETATM 437 H HOH A 146 26.519 24.830 26.507
+HETATM 438 O HOH A 146 27.397 25.179 26.831
+HETATM 439 H HOH A 147 -0.007 26.213 7.263
+HETATM 440 H HOH A 147 1.286 25.276 7.608
+HETATM 441 O HOH A 147 0.322 25.272 7.343
+HETATM 442 H HOH A 148 26.789 40.003 33.046
+HETATM 443 H HOH A 148 25.703 39.093 32.233
+HETATM 444 O HOH A 148 26.625 39.113 32.620
+HETATM 445 H HOH A 149 28.883 9.718 2.441
+HETATM 446 H HOH A 149 27.387 9.430 1.853
+HETATM 447 O HOH A 149 27.939 9.494 2.684
+HETATM 448 H HOH A 150 39.732 18.493 38.930
+HETATM 449 H HOH A 150 38.953 19.450 40.000
+HETATM 450 O HOH A 150 39.812 19.304 39.510
+HETATM 451 H HOH A 151 9.949 6.059 30.018
+HETATM 452 H HOH A 151 9.185 7.485 29.797
+HETATM 453 O HOH A 151 9.383 6.759 30.454
+HETATM 454 H HOH A 152 17.165 8.218 36.910
+HETATM 455 H HOH A 152 18.652 8.793 36.558
+HETATM 456 O HOH A 152 17.943 8.144 36.286
+HETATM 457 H HOH A 153 31.077 25.202 40.006
+HETATM 458 H HOH A 153 32.205 24.025 39.904
+HETATM 459 O HOH A 153 32.028 25.000 39.772
+HETATM 460 H HOH A 154 25.442 22.765 7.773
+HETATM 461 H HOH A 154 26.152 24.216 7.536
+HETATM 462 O HOH A 154 26.246 23.324 7.976
+HETATM 463 H HOH A 155 23.988 31.503 14.487
+HETATM 464 H HOH A 155 23.063 32.445 15.449
+HETATM 465 O HOH A 155 23.936 32.380 14.966
+HETATM 466 H HOH A 156 2.051 27.227 0.249
+HETATM 467 H HOH A 156 0.984 28.403 0.630
+HETATM 468 O HOH A 156 1.954 28.180 0.536
+HETATM 469 H HOH A 157 29.279 30.698 21.338
+HETATM 470 H HOH A 157 30.108 30.358 19.973
+HETATM 471 O HOH A 157 29.203 30.544 20.353
+HETATM 472 H HOH A 158 2.050 4.847 36.584
+HETATM 473 H HOH A 158 3.273 5.177 37.615
+HETATM 474 O HOH A 158 2.670 5.559 36.916
+HETATM 475 H HOH A 159 34.620 37.651 16.493
+HETATM 476 H HOH A 159 34.010 38.798 17.482
+HETATM 477 O HOH A 159 34.018 37.821 17.273
+HETATM 478 H HOH A 160 22.847 6.263 2.108
+HETATM 479 H HOH A 160 21.960 5.063 2.771
+HETATM 480 O HOH A 160 22.723 5.690 2.919
+HETATM 481 H HOH A 161 14.898 6.489 10.322
+HETATM 482 H HOH A 161 16.017 7.306 9.457
+HETATM 483 O HOH A 161 15.856 6.775 10.288
+HETATM 484 H HOH A 162 32.140 2.908 17.297
+HETATM 485 H HOH A 162 32.013 2.812 18.922
+HETATM 486 O HOH A 162 31.523 2.705 18.058
+HETATM 487 H HOH A 163 14.707 9.453 28.266
+HETATM 488 H HOH A 163 13.272 9.965 28.853
+HETATM 489 O HOH A 163 13.763 9.188 28.460
+HETATM 490 H HOH A 164 13.169 38.938 39.898
+HETATM 491 H HOH A 164 11.919 39.983 40.000
+HETATM 492 O HOH A 164 12.392 39.333 39.407
+HETATM 493 H HOH A 165 22.194 18.781 29.349
+HETATM 494 H HOH A 165 22.130 18.315 30.913
+HETATM 495 O HOH A 165 22.044 19.090 30.288
+HETATM 496 H HOH A 166 32.979 28.075 19.647
+HETATM 497 H HOH A 166 32.402 29.082 18.500
+HETATM 498 O HOH A 166 32.258 28.211 18.968
+HETATM 499 H HOH A 167 22.904 40.009 10.704
+HETATM 500 H HOH A 167 23.031 38.570 9.943
+HETATM 501 O HOH A 167 23.299 39.532 9.918
+HETATM 502 H HOH A 168 30.863 35.552 3.665
+HETATM 503 H HOH A 168 30.779 37.031 4.352
+HETATM 504 O HOH A 168 31.397 36.329 3.999
+HETATM 505 H HOH A 169 21.513 16.187 25.868
+HETATM 506 H HOH A 169 23.084 15.751 25.786
+HETATM 507 O HOH A 169 22.248 15.891 25.258
+HETATM 508 H HOH A 170 25.935 34.126 16.181
+HETATM 509 H HOH A 170 27.344 33.447 16.650
+HETATM 510 O HOH A 170 26.608 33.416 15.974
+HETATM 511 H HOH A 171 25.690 3.603 21.533
+HETATM 512 H HOH A 171 26.129 2.276 20.688
+HETATM 513 O HOH A 171 25.452 2.656 21.317
+HETATM 514 H HOH A 172 12.842 7.577 30.069
+HETATM 515 H HOH A 172 11.702 6.917 31.033
+HETATM 516 O HOH A 172 11.863 7.405 30.176
+HETATM 517 H HOH A 173 18.587 32.012 28.821
+HETATM 518 H HOH A 173 18.581 31.440 30.350
+HETATM 519 O HOH A 173 18.934 31.296 29.426
+HETATM 520 H HOH A 174 2.156 24.138 9.277
+HETATM 521 H HOH A 174 0.560 23.794 9.247
+HETATM 522 O HOH A 174 1.337 24.011 9.837
+HETATM 523 H HOH A 175 0.506 29.017 29.470
+HETATM 524 H HOH A 175 0.520 27.764 30.518
+HETATM 525 O HOH A 175 0.431 28.756 30.433
+HETATM 526 H HOH A 176 38.326 21.563 15.681
+HETATM 527 H HOH A 176 37.716 20.140 16.201
+HETATM 528 O HOH A 176 38.543 20.610 15.894
+HETATM 529 H HOH A 177 4.604 26.531 3.955
+HETATM 530 H HOH A 177 5.090 27.040 2.481
+HETATM 531 O HOH A 177 4.574 26.340 2.974
+HETATM 532 H HOH A 178 35.857 10.426 12.016
+HETATM 533 H HOH A 178 34.928 9.240 12.646
+HETATM 534 O HOH A 178 35.801 9.446 12.206
+HETATM 535 H HOH A 179 1.605 28.487 11.625
+HETATM 536 H HOH A 179 3.206 28.161 11.630
+HETATM 537 O HOH A 179 2.293 27.765 11.541
+HETATM 538 H HOH A 180 34.729 5.308 18.546
+HETATM 539 H HOH A 180 36.112 5.780 17.817
+HETATM 540 O HOH A 180 35.416 5.064 17.861
+HETATM 541 H HOH A 181 12.450 12.984 10.177
+HETATM 542 H HOH A 181 13.317 11.997 9.208
+HETATM 543 O HOH A 181 12.615 12.707 9.230
+HETATM 544 H HOH A 182 33.310 9.646 15.596
+HETATM 545 H HOH A 182 32.678 8.695 16.763
+HETATM 546 O HOH A 182 33.194 9.532 16.582
+HETATM 547 H HOH A 183 25.648 18.873 38.725
+HETATM 548 H HOH A 183 26.658 20.153 38.639
+HETATM 549 O HOH A 183 25.700 19.868 38.644
+HETATM 550 H HOH A 184 36.201 17.285 10.044
+HETATM 551 H HOH A 184 37.737 17.473 10.568
+HETATM 552 O HOH A 184 36.925 17.950 10.234
+HETATM 553 H HOH A 185 12.654 32.473 4.915
+HETATM 554 H HOH A 185 11.055 32.327 5.212
+HETATM 555 O HOH A 185 11.793 32.972 5.016
+HETATM 556 H HOH A 186 28.590 38.538 38.658
+HETATM 557 H HOH A 186 28.242 40.001 38.021
+HETATM 558 O HOH A 186 28.250 39.016 37.848
+HETATM 559 H HOH A 187 6.696 24.372 9.729
+HETATM 560 H HOH A 187 5.449 24.426 8.676
+HETATM 561 O HOH A 187 6.166 23.847 9.063
+HETATM 562 H HOH A 188 15.846 21.817 6.871
+HETATM 563 H HOH A 188 15.369 23.035 7.849
+HETATM 564 O HOH A 188 16.056 22.744 7.184
+HETATM 565 H HOH A 189 12.126 39.100 30.208
+HETATM 566 H HOH A 189 10.675 38.350 30.214
+HETATM 567 O HOH A 189 11.136 39.237 30.201
+HETATM 568 H HOH A 190 17.805 8.226 22.525
+HETATM 569 H HOH A 190 17.534 9.815 22.260
+HETATM 570 O HOH A 190 18.233 9.101 22.297
+HETATM 571 H HOH A 191 31.320 14.489 18.111
+HETATM 572 H HOH A 191 32.363 14.415 16.856
+HETATM 573 O HOH A 191 31.927 13.891 17.587
+HETATM 574 H HOH A 192 31.704 6.315 39.694
+HETATM 575 H HOH A 192 31.467 4.724 39.974
+HETATM 576 O HOH A 192 31.015 5.604 39.834
+HETATM 577 H HOH A 193 24.712 20.483 5.522
+HETATM 578 H HOH A 193 24.665 22.114 5.460
+HETATM 579 O HOH A 193 24.116 21.280 5.423
+HETATM 580 H HOH A 194 27.838 16.992 27.425
+HETATM 581 H HOH A 194 26.618 16.860 28.503
+HETATM 582 O HOH A 194 26.844 16.983 27.538
+HETATM 583 H HOH A 195 35.333 0.068 19.285
+HETATM 584 H HOH A 195 36.589 0.025 18.243
+HETATM 585 O HOH A 195 36.216 0.476 19.052
+HETATM 586 H HOH A 196 37.040 19.122 38.964
+HETATM 587 H HOH A 196 37.373 17.590 38.506
+HETATM 588 O HOH A 196 36.730 18.172 39.003
+HETATM 589 H HOH A 197 25.007 11.541 26.922
+HETATM 590 H HOH A 197 25.067 9.910 26.973
+HETATM 591 O HOH A 197 25.467 10.753 27.332
+HETATM 592 H HOH A 198 23.225 34.295 4.133
+HETATM 593 H HOH A 198 22.728 32.826 4.643
+HETATM 594 O HOH A 198 23.180 33.674 4.916
+HETATM 595 H HOH A 199 5.521 38.281 2.053
+HETATM 596 H HOH A 199 5.003 38.763 3.524
+HETATM 597 O HOH A 199 4.789 38.198 2.729
+HETATM 598 H HOH A 200 10.257 39.544 37.529
+HETATM 599 H HOH A 200 9.917 39.837 39.099
+HETATM 600 O HOH A 200 10.275 39.163 38.454
+HETATM 601 H HOH A 201 30.066 24.005 29.649
+HETATM 602 H HOH A 201 29.532 24.304 28.135
+HETATM 603 O HOH A 201 30.214 24.549 28.823
+HETATM 604 H HOH A 202 14.636 29.221 32.718
+HETATM 605 H HOH A 202 15.845 30.309 32.571
+HETATM 606 O HOH A 202 14.879 30.189 32.795
+HETATM 607 H HOH A 203 28.806 28.582 15.873
+HETATM 608 H HOH A 203 27.787 29.850 15.726
+HETATM 609 O HOH A 203 27.900 28.870 15.562
+HETATM 610 H HOH A 204 35.526 22.668 30.379
+HETATM 611 H HOH A 204 35.918 22.224 31.901
+HETATM 612 O HOH A 204 35.505 22.941 31.341
+HETATM 613 H HOH A 205 28.737 32.654 1.163
+HETATM 614 H HOH A 205 29.695 31.331 1.158
+HETATM 615 O HOH A 205 28.754 31.657 1.244
+HETATM 616 H HOH A 206 1.005 25.289 13.706
+HETATM 617 H HOH A 206 1.528 26.834 13.621
+HETATM 618 O HOH A 206 1.813 25.877 13.665
+HETATM 619 H HOH A 207 20.821 1.998 2.797
+HETATM 620 H HOH A 207 20.587 3.469 2.127
+HETATM 621 O HOH A 207 20.278 2.518 2.138
+HETATM 622 H HOH A 208 0.654 17.624 39.716
+HETATM 623 H HOH A 208 0.658 19.151 39.138
+HETATM 624 O HOH A 208 0.152 18.488 39.689
+HETATM 625 H HOH A 209 20.167 1.892 20.684
+HETATM 626 H HOH A 209 19.749 3.392 20.190
+HETATM 627 O HOH A 209 20.460 2.847 20.634
+HETATM 628 H HOH A 210 17.371 36.843 26.663
+HETATM 629 H HOH A 210 17.833 36.108 25.280
+HETATM 630 O HOH A 210 17.148 36.704 25.698
+HETATM 631 H HOH A 211 4.155 10.683 32.726
+HETATM 632 H HOH A 211 4.387 9.111 32.349
+HETATM 633 O HOH A 211 4.703 10.045 32.185
+HETATM 634 H HOH A 212 10.339 5.946 32.902
+HETATM 635 H HOH A 212 11.927 5.588 32.771
+HETATM 636 O HOH A 212 11.007 5.204 32.840
+HETATM 637 H HOH A 213 39.574 16.595 18.936
+HETATM 638 H HOH A 213 38.687 17.920 19.288
+HETATM 639 O HOH A 213 39.425 17.560 18.719
+HETATM 640 H HOH A 214 31.158 -0.002 16.987
+HETATM 641 H HOH A 214 32.634 0.688 16.870
+HETATM 642 O HOH A 214 31.808 0.616 17.429
+HETATM 643 H HOH A 215 17.062 15.142 16.509
+HETATM 644 H HOH A 215 16.130 15.338 17.835
+HETATM 645 O HOH A 215 16.914 15.695 17.329
+HETATM 646 H HOH A 216 13.095 21.748 34.647
+HETATM 647 H HOH A 216 14.359 22.767 34.826
+HETATM 648 O HOH A 216 13.868 21.997 35.232
+HETATM 649 H HOH A 217 30.085 33.675 9.418
+HETATM 650 H HOH A 217 31.141 34.559 10.296
+HETATM 651 O HOH A 217 31.011 33.704 9.795
+HETATM 652 H HOH A 218 25.015 20.507 10.826
+HETATM 653 H HOH A 218 23.947 20.901 11.997
+HETATM 654 O HOH A 218 24.845 21.106 11.608
+HETATM 655 H HOH A 219 21.042 7.117 0.987
+HETATM 656 H HOH A 219 19.853 7.110 2.107
+HETATM 657 O HOH A 219 20.173 6.699 1.255
+HETATM 658 H HOH A 220 29.511 37.202 37.173
+HETATM 659 H HOH A 220 30.455 36.196 36.300
+HETATM 660 O HOH A 220 29.545 36.604 36.373
+HETATM 661 H HOH A 221 15.898 40.000 28.806
+HETATM 662 H HOH A 221 16.380 38.475 28.475
+HETATM 663 O HOH A 221 16.364 39.193 29.170
+HETATM 664 H HOH A 222 22.252 20.435 14.404
+HETATM 665 H HOH A 222 23.400 19.305 14.672
+HETATM 666 O HOH A 222 23.233 20.242 14.368
+HETATM 667 H HOH A 223 37.697 15.567 22.544
+HETATM 668 H HOH A 223 39.257 16.025 22.387
+HETATM 669 O HOH A 223 38.637 15.243 22.430
+HETATM 670 H HOH A 224 11.017 -0.001 23.659
+HETATM 671 H HOH A 224 11.905 0.012 22.289
+HETATM 672 O HOH A 224 11.260 0.531 22.848
+HETATM 673 H HOH A 225 17.033 28.777 12.948
+HETATM 674 H HOH A 225 15.486 29.040 13.402
+HETATM 675 O HOH A 225 16.247 29.390 12.857
+HETATM 676 H HOH A 226 16.609 17.440 30.463
+HETATM 677 H HOH A 226 17.514 18.782 30.686
+HETATM 678 O HOH A 226 17.121 17.979 31.133
+HETATM 679 H HOH A 227 15.436 30.665 16.637
+HETATM 680 H HOH A 227 16.320 32.034 16.526
+HETATM 681 O HOH A 227 15.394 31.660 16.542
+HETATM 682 H HOH A 228 23.993 0.919 21.375
+HETATM 683 H HOH A 228 23.061 0.003 22.353
+HETATM 684 O HOH A 228 23.144 0.891 21.903
+HETATM 685 H HOH A 229 17.635 -0.000 18.729
+HETATM 686 H HOH A 229 16.605 0.002 19.997
+HETATM 687 O HOH A 229 17.461 0.376 19.640
+HETATM 688 H HOH A 230 4.349 39.610 23.210
+HETATM 689 H HOH A 230 2.810 39.169 23.533
+HETATM 690 O HOH A 230 3.687 38.861 23.165
+HETATM 691 H HOH A 231 32.355 11.853 5.341
+HETATM 692 H HOH A 231 32.615 10.266 5.055
+HETATM 693 O HOH A 231 33.028 11.176 5.042
+HETATM 694 H HOH A 232 1.201 19.550 14.401
+HETATM 695 H HOH A 232 1.382 17.989 13.955
+HETATM 696 O HOH A 232 0.954 18.861 13.719
+HETATM 697 H HOH A 233 11.249 29.429 10.109
+HETATM 698 H HOH A 233 9.981 29.349 11.135
+HETATM 699 O HOH A 233 10.350 29.809 10.328
+HETATM 700 H HOH A 234 21.488 17.705 0.967
+HETATM 701 H HOH A 234 20.524 16.548 1.599
+HETATM 702 O HOH A 234 21.376 16.721 1.105
+HETATM 703 H HOH A 235 25.549 25.068 13.515
+HETATM 704 H HOH A 235 23.947 25.377 13.600
+HETATM 705 O HOH A 235 24.682 24.781 13.923
+HETATM 706 H HOH A 236 13.155 22.293 27.474
+HETATM 707 H HOH A 236 14.776 22.407 27.307
+HETATM 708 O HOH A 236 13.918 22.919 27.309
+HETATM 709 H HOH A 237 8.972 16.038 -0.001
+HETATM 710 H HOH A 237 8.614 16.844 1.374
+HETATM 711 O HOH A 237 8.231 16.348 0.595
+HETATM 712 H HOH A 238 32.396 5.809 8.188
+HETATM 713 H HOH A 238 32.247 6.759 9.508
+HETATM 714 O HOH A 238 32.873 6.183 8.984
+HETATM 715 H HOH A 239 31.929 2.574 9.070
+HETATM 716 H HOH A 239 30.595 1.669 9.337
+HETATM 717 O HOH A 239 31.168 2.091 8.635
+HETATM 718 H HOH A 240 14.970 19.464 10.918
+HETATM 719 H HOH A 240 13.708 18.513 10.506
+HETATM 720 O HOH A 240 14.673 18.521 10.766
+HETATM 721 H HOH A 241 2.626 37.871 8.828
+HETATM 722 H HOH A 241 3.540 36.578 9.228
+HETATM 723 O HOH A 241 3.555 37.556 9.022
+HETATM 724 H HOH A 242 4.111 6.697 34.760
+HETATM 725 H HOH A 242 2.967 7.861 34.715
+HETATM 726 O HOH A 242 3.903 7.627 34.455
+HETATM 727 H HOH A 243 1.721 3.723 19.130
+HETATM 728 H HOH A 243 2.943 4.141 18.130
+HETATM 729 O HOH A 243 2.337 4.462 18.857
+HETATM 730 H HOH A 244 32.041 21.529 22.037
+HETATM 731 H HOH A 244 32.797 20.244 21.370
+HETATM 732 O HOH A 244 31.921 20.596 21.696
+HETATM 733 H HOH A 245 6.801 0.398 16.626
+HETATM 734 H HOH A 245 5.516 1.157 17.287
+HETATM 735 O HOH A 245 6.151 1.150 16.516
+HETATM 736 H HOH A 246 4.826 30.597 30.715
+HETATM 737 H HOH A 246 6.377 30.929 30.326
+HETATM 738 O HOH A 246 5.464 31.318 30.443
+HETATM 739 H HOH A 247 32.429 33.986 18.034
+HETATM 740 H HOH A 247 31.700 33.204 19.267
+HETATM 741 O HOH A 247 31.867 34.098 18.854
+HETATM 742 H HOH A 248 0.458 20.822 32.838
+HETATM 743 H HOH A 248 0.069 20.919 31.255
+HETATM 744 O HOH A 248 0.000 20.358 32.079
+HETATM 745 H HOH A 249 37.716 17.013 1.045
+HETATM 746 H HOH A 249 38.647 18.025 0.164
+HETATM 747 O HOH A 249 38.128 17.170 0.148
+HETATM 748 H HOH A 250 38.801 32.951 6.617
+HETATM 749 H HOH A 250 39.607 32.800 8.029
+HETATM 750 O HOH A 250 38.758 32.587 7.547
+HETATM 751 H HOH A 251 34.984 5.195 14.720
+HETATM 752 H HOH A 251 34.895 5.384 13.100
+HETATM 753 O HOH A 251 34.409 5.063 13.912
+HETATM 754 H HOH A 252 25.287 30.250 38.028
+HETATM 755 H HOH A 252 26.821 30.744 37.763
+HETATM 756 O HOH A 252 25.872 30.833 37.464
+HETATM 757 H HOH A 253 10.927 22.965 14.236
+HETATM 758 H HOH A 253 10.911 23.121 15.861
+HETATM 759 O HOH A 253 11.414 22.748 15.082
+HETATM 760 H HOH A 254 20.502 31.108 6.662
+HETATM 761 H HOH A 254 20.824 32.709 6.663
+HETATM 762 O HOH A 254 21.229 31.795 6.666
+HETATM 763 H HOH A 255 37.907 31.838 20.798
+HETATM 764 H HOH A 255 36.514 31.496 21.578
+HETATM 765 O HOH A 255 37.049 31.327 20.751
+HETATM 766 H HOH A 256 29.010 15.160 13.114
+HETATM 767 H HOH A 256 29.806 16.312 13.954
+HETATM 768 O HOH A 256 29.808 15.349 13.687
+HETATM 769 H HOH A 257 14.501 2.564 29.310
+HETATM 770 H HOH A 257 16.003 1.959 29.098
+HETATM 771 O HOH A 257 15.153 1.871 29.617
+HETATM 772 H HOH A 258 38.925 13.096 11.548
+HETATM 773 H HOH A 258 40.001 12.378 10.553
+HETATM 774 O HOH A 258 39.139 12.881 10.595
+HETATM 775 H HOH A 259 9.567 23.940 28.745
+HETATM 776 H HOH A 259 10.285 25.383 29.011
+HETATM 777 O HOH A 259 9.463 24.838 29.174
+HETATM 778 H HOH A 260 7.837 34.430 13.091
+HETATM 779 H HOH A 260 8.480 35.884 13.466
+HETATM 780 O HOH A 260 8.440 34.919 13.723
+HETATM 781 H HOH A 261 35.225 5.184 32.328
+HETATM 782 H HOH A 261 33.620 4.879 32.327
+HETATM 783 O HOH A 261 34.530 4.464 32.324
+HETATM 784 H HOH A 262 31.991 11.924 0.005
+HETATM 785 H HOH A 262 32.084 13.554 0.000
+HETATM 786 O HOH A 262 31.461 12.772 0.002
+HETATM 787 H HOH A 263 22.371 36.388 35.927
+HETATM 788 H HOH A 263 23.994 36.213 35.907
+HETATM 789 O HOH A 263 23.240 36.850 35.748
+HETATM 790 H HOH A 264 30.179 32.480 7.461
+HETATM 791 H HOH A 264 29.622 30.991 7.834
+HETATM 792 O HOH A 264 29.388 31.961 7.787
+HETATM 793 H HOH A 265 7.242 32.678 35.752
+HETATM 794 H HOH A 265 8.701 31.988 35.501
+HETATM 795 O HOH A 265 7.774 31.836 35.843
+HETATM 796 H HOH A 266 12.208 38.037 26.608
+HETATM 797 H HOH A 266 11.889 39.474 25.900
+HETATM 798 O HOH A 266 12.298 39.029 26.696
+HETATM 799 H HOH A 267 33.190 16.865 12.312
+HETATM 800 H HOH A 267 34.099 16.158 13.470
+HETATM 801 O HOH A 267 33.268 16.076 12.921
+HETATM 802 H HOH A 268 27.409 31.481 12.508
+HETATM 803 H HOH A 268 26.015 31.818 11.728
+HETATM 804 O HOH A 268 26.761 31.160 11.817
+HETATM 805 H HOH A 269 39.998 3.895 22.664
+HETATM 806 H HOH A 269 39.998 2.494 21.825
+HETATM 807 O HOH A 269 39.812 2.913 22.713
+HETATM 808 H HOH A 270 27.215 32.966 36.898
+HETATM 809 H HOH A 270 28.588 32.927 36.014
+HETATM 810 O HOH A 270 27.755 32.427 36.251
+HETATM 811 H HOH A 271 24.707 25.434 10.510
+HETATM 812 H HOH A 271 23.117 25.743 10.720
+HETATM 813 O HOH A 271 24.028 26.150 10.676
+HETATM 814 H HOH A 272 17.147 16.439 27.849
+HETATM 815 H HOH A 272 17.334 17.215 26.424
+HETATM 816 O HOH A 272 17.334 17.322 27.418
+HETATM 817 H HOH A 273 7.182 2.662 10.648
+HETATM 818 H HOH A 273 6.350 2.817 12.044
+HETATM 819 O HOH A 273 7.261 2.738 11.642
+HETATM 820 H HOH A 274 3.746 25.594 20.569
+HETATM 821 H HOH A 274 3.528 27.169 20.941
+HETATM 822 O HOH A 274 3.665 26.518 20.195
+HETATM 823 H HOH A 275 33.080 1.829 30.781
+HETATM 824 H HOH A 275 32.319 2.645 31.973
+HETATM 825 O HOH A 275 32.581 2.665 31.009
+HETATM 826 H HOH A 276 28.141 9.031 33.807
+HETATM 827 H HOH A 276 27.081 8.392 32.741
+HETATM 828 O HOH A 276 27.194 9.050 33.485
+HETATM 829 H HOH A 277 37.087 6.238 6.708
+HETATM 830 H HOH A 277 36.255 4.974 6.094
+HETATM 831 O HOH A 277 37.141 5.436 6.113
+HETATM 832 H HOH A 278 5.512 36.444 27.653
+HETATM 833 H HOH A 278 5.796 34.840 27.780
+HETATM 834 O HOH A 278 5.094 35.550 27.819
+HETATM 835 H HOH A 279 15.351 25.141 10.348
+HETATM 836 H HOH A 279 14.423 24.724 9.071
+HETATM 837 O HOH A 279 15.332 24.646 9.479
+HETATM 838 H HOH A 280 36.626 24.839 32.166
+HETATM 839 H HOH A 280 38.229 25.067 32.377
+HETATM 840 O HOH A 280 37.324 25.221 32.772
+HETATM 841 H HOH A 281 23.623 26.955 39.317
+HETATM 842 H HOH A 281 22.169 27.253 40.000
+HETATM 843 O HOH A 281 23.005 27.670 39.646
+HETATM 844 H HOH A 282 10.381 27.746 37.493
+HETATM 845 H HOH A 282 8.851 27.895 36.943
+HETATM 846 O HOH A 282 9.813 28.062 36.732
+HETATM 847 H HOH A 283 20.548 32.211 16.074
+HETATM 848 H HOH A 283 20.477 30.762 15.324
+HETATM 849 O HOH A 283 21.080 31.510 15.598
+HETATM 850 H HOH A 284 30.022 19.766 23.958
+HETATM 851 H HOH A 284 29.883 20.110 22.368
+HETATM 852 O HOH A 284 30.323 20.376 23.225
+HETATM 853 H HOH A 285 22.580 35.735 28.414
+HETATM 854 H HOH A 285 22.665 37.294 27.933
+HETATM 855 O HOH A 285 23.199 36.489 28.190
+HETATM 856 H HOH A 286 7.644 14.364 40.051
+HETATM 857 H HOH A 286 7.916 15.971 39.943
+HETATM 858 O HOH A 286 7.216 15.258 39.914
+HETATM 859 H HOH A 287 33.403 28.193 9.374
+HETATM 860 H HOH A 287 34.745 27.744 10.190
+HETATM 861 O HOH A 287 33.921 27.415 9.729
+HETATM 862 H HOH A 288 20.261 17.785 29.881
+HETATM 863 H HOH A 288 18.770 17.176 29.610
+HETATM 864 O HOH A 288 19.310 18.015 29.675
+HETATM 865 H HOH A 289 6.942 9.040 4.501
+HETATM 866 H HOH A 289 7.715 10.472 4.648
+HETATM 867 O HOH A 289 7.837 9.485 4.544
+HETATM 868 H HOH A 290 17.641 21.672 11.735
+HETATM 869 H HOH A 290 16.234 21.269 12.458
+HETATM 870 O HOH A 290 16.932 21.979 12.370
+HETATM 871 H HOH A 291 28.316 11.581 35.572
+HETATM 872 H HOH A 291 28.662 11.508 37.166
+HETATM 873 O HOH A 291 28.431 10.971 36.356
+HETATM 874 H HOH A 292 35.982 3.324 31.121
+HETATM 875 H HOH A 292 35.256 1.867 31.262
+HETATM 876 O HOH A 292 35.247 2.740 30.776
+HETATM 877 H HOH A 293 23.499 19.542 38.560
+HETATM 878 H HOH A 293 22.076 18.868 38.991
+HETATM 879 O HOH A 293 23.065 18.846 39.132
+HETATM 880 H HOH A 294 33.151 31.663 20.991
+HETATM 881 H HOH A 294 33.245 33.117 21.727
+HETATM 882 O HOH A 294 33.514 32.157 21.782
+HETATM 883 H HOH A 295 27.335 24.439 11.102
+HETATM 884 H HOH A 295 28.202 24.114 9.757
+HETATM 885 O HOH A 295 28.248 24.235 10.748
+HETATM 886 H HOH A 296 4.692 7.128 4.893
+HETATM 887 H HOH A 296 3.138 7.247 5.381
+HETATM 888 O HOH A 296 3.907 7.742 4.978
+HETATM 889 H HOH A 297 28.255 24.026 6.916
+HETATM 890 H HOH A 297 27.665 22.569 6.473
+HETATM 891 O HOH A 297 28.371 23.036 7.004
+HETATM 892 H HOH A 298 32.969 39.913 22.490
+HETATM 893 H HOH A 298 33.074 38.698 23.576
+HETATM 894 O HOH A 298 32.475 39.399 23.191
+HETATM 895 H HOH A 299 7.014 17.554 23.471
+HETATM 896 H HOH A 299 7.673 17.529 21.977
+HETATM 897 O HOH A 299 7.264 16.971 22.698
+HETATM 898 H HOH A 300 35.639 9.161 29.232
+HETATM 899 H HOH A 300 36.273 10.301 28.250
+HETATM 900 O HOH A 300 35.847 9.398 28.283
+HETATM 901 H HOH A 301 25.307 17.496 32.883
+HETATM 902 H HOH A 301 25.401 15.885 33.130
+HETATM 903 O HOH A 301 24.973 16.734 33.438
+HETATM 904 H HOH A 302 11.152 36.563 18.902
+HETATM 905 H HOH A 302 11.415 35.307 19.911
+HETATM 906 O HOH A 302 11.707 35.747 19.063
+HETATM 907 H HOH A 303 22.726 36.937 0.861
+HETATM 908 H HOH A 303 23.990 35.982 0.466
+HETATM 909 O HOH A 303 23.114 36.019 0.946
+HETATM 910 H HOH A 304 11.559 34.411 39.001
+HETATM 911 H HOH A 304 12.706 33.385 39.549
+HETATM 912 O HOH A 304 12.003 33.527 38.853
+HETATM 913 H HOH A 305 25.901 8.587 25.426
+HETATM 914 H HOH A 305 26.817 7.235 25.408
+HETATM 915 O HOH A 305 25.882 7.587 25.418
+HETATM 916 H HOH A 306 8.085 39.097 36.993
+HETATM 917 H HOH A 306 7.308 37.726 36.566
+HETATM 918 O HOH A 306 7.189 38.672 36.865
+HETATM 919 H HOH A 307 39.338 11.717 37.467
+HETATM 920 H HOH A 307 40.008 10.549 36.543
+HETATM 921 O HOH A 307 39.157 11.021 36.772
+HETATM 922 H HOH A 308 7.079 35.348 38.814
+HETATM 923 H HOH A 308 6.138 34.027 39.007
+HETATM 924 O HOH A 308 6.377 34.922 39.384
+HETATM 925 H HOH A 309 2.813 32.311 15.833
+HETATM 926 H HOH A 309 1.337 32.653 16.442
+HETATM 927 O HOH A 309 1.874 32.568 15.603
+HETATM 928 H HOH A 310 9.733 13.859 22.863
+HETATM 929 H HOH A 310 8.114 13.868 22.650
+HETATM 930 O HOH A 310 8.921 13.286 22.750
+HETATM 931 H HOH A 311 39.616 31.036 4.090
+HETATM 932 H HOH A 311 39.028 31.007 5.614
+HETATM 933 O HOH A 311 39.540 31.547 4.946
+HETATM 934 H HOH A 312 30.188 37.259 24.106
+HETATM 935 H HOH A 312 30.462 35.969 23.143
+HETATM 936 O HOH A 312 29.850 36.738 23.321
+HETATM 937 H HOH A 313 3.754 4.325 25.208
+HETATM 938 H HOH A 313 4.732 3.696 26.354
+HETATM 939 O HOH A 313 4.508 3.692 25.380
+HETATM 940 H HOH A 314 39.584 0.608 35.596
+HETATM 941 H HOH A 314 39.383 0.004 34.092
+HETATM 942 O HOH A 314 39.969 -0.000 34.902
+HETATM 943 H HOH A 315 11.614 31.799 22.205
+HETATM 944 H HOH A 315 13.238 31.827 22.374
+HETATM 945 O HOH A 315 12.368 31.762 22.861
+HETATM 946 H HOH A 316 9.232 19.094 8.057
+HETATM 947 H HOH A 316 9.042 17.848 7.018
+HETATM 948 O HOH A 316 8.849 18.177 7.942
+HETATM 949 H HOH A 317 19.349 19.199 32.253
+HETATM 950 H HOH A 317 20.906 18.961 32.683
+HETATM 951 O HOH A 317 19.980 19.116 33.024
+HETATM 952 H HOH A 318 34.280 25.759 19.901
+HETATM 953 H HOH A 318 32.934 25.889 20.816
+HETATM 954 O HOH A 318 33.387 25.356 20.102
+HETATM 955 H HOH A 319 6.990 7.633 12.724
+HETATM 956 H HOH A 319 5.821 7.204 13.779
+HETATM 957 O HOH A 319 6.066 7.262 12.812
+HETATM 958 H HOH A 320 15.967 12.491 7.714
+HETATM 959 H HOH A 320 16.959 11.348 7.101
+HETATM 960 O HOH A 320 16.908 12.151 7.693
+HETATM 961 H HOH A 321 35.639 15.644 24.103
+HETATM 962 H HOH A 321 34.263 15.221 24.874
+HETATM 963 O HOH A 321 34.654 15.803 24.161
+HETATM 964 H HOH A 322 7.613 29.897 26.675
+HETATM 965 H HOH A 322 9.171 30.369 26.804
+HETATM 966 O HOH A 322 8.564 29.628 26.520
+HETATM 967 H HOH A 323 19.028 38.515 15.692
+HETATM 968 H HOH A 323 18.222 39.903 15.389
+HETATM 969 O HOH A 323 18.628 39.334 16.104
+HETATM 970 H HOH A 324 37.969 39.632 2.129
+HETATM 971 H HOH A 324 36.412 40.000 2.456
+HETATM 972 O HOH A 324 37.145 39.340 2.615
+HETATM 973 H HOH A 325 31.848 10.646 22.896
+HETATM 974 H HOH A 325 31.147 9.710 24.036
+HETATM 975 O HOH A 325 31.046 10.091 23.117
+HETATM 976 H HOH A 326 2.653 15.524 24.623
+HETATM 977 H HOH A 326 2.500 14.570 23.307
+HETATM 978 O HOH A 326 2.378 15.496 23.662
+HETATM 979 H HOH A 327 36.481 16.666 31.530
+HETATM 980 H HOH A 327 35.013 17.232 31.967
+HETATM 981 O HOH A 327 35.879 16.863 32.304
+HETATM 982 H HOH A 328 14.315 6.913 23.027
+HETATM 983 H HOH A 328 15.868 7.185 22.604
+HETATM 984 O HOH A 328 15.004 7.618 22.859
+HETATM 985 H HOH A 329 17.861 37.923 9.367
+HETATM 986 H HOH A 329 17.251 36.930 10.511
+HETATM 987 O HOH A 329 18.034 37.105 9.915
+HETATM 988 H HOH A 330 31.210 6.859 0.001
+HETATM 989 H HOH A 330 30.090 8.047 0.030
+HETATM 990 O HOH A 330 30.230 7.058 -0.000
+HETATM 991 H HOH A 331 29.974 8.324 32.817
+HETATM 992 H HOH A 331 31.350 7.501 32.506
+HETATM 993 O HOH A 331 30.380 7.414 32.730
+HETATM 994 H HOH A 332 28.608 34.236 24.248
+HETATM 995 H HOH A 332 29.468 35.391 25.018
+HETATM 996 O HOH A 332 28.610 35.191 24.546
+HETATM 997 H HOH A 333 5.045 10.000 13.459
+HETATM 998 H HOH A 333 6.552 9.794 12.866
+HETATM 999 O HOH A 333 5.819 9.370 13.397
+HETATM 1000 H HOH A 334 4.206 38.770 32.714
+HETATM 1001 H HOH A 334 5.028 37.360 32.735
+HETATM 1002 O HOH A 334 4.119 37.774 32.736
+HETATM 1003 H HOH A 335 37.977 29.295 17.549
+HETATM 1004 H HOH A 335 39.259 28.638 16.779
+HETATM 1005 O HOH A 335 38.586 28.502 17.505
+HETATM 1006 H HOH A 336 0.801 22.266 14.909
+HETATM 1007 H HOH A 336 0.040 23.609 15.441
+HETATM 1008 O HOH A 336 0.421 23.151 14.639
+HETATM 1009 H HOH A 337 16.866 26.361 20.306
+HETATM 1010 H HOH A 337 17.307 24.907 19.706
+HETATM 1011 O HOH A 337 17.572 25.652 20.317
+HETATM 1012 H HOH A 338 11.044 32.572 36.747
+HETATM 1013 H HOH A 338 12.655 32.800 36.881
+HETATM 1014 O HOH A 338 11.911 32.144 37.004
+HETATM 1015 H HOH A 339 29.392 22.310 18.795
+HETATM 1016 H HOH A 339 28.308 23.530 18.853
+HETATM 1017 O HOH A 339 29.281 23.304 18.831
+HETATM 1018 H HOH A 340 16.943 17.104 23.156
+HETATM 1019 H HOH A 340 17.624 17.605 21.759
+HETATM 1020 O HOH A 340 17.069 16.892 22.187
+HETATM 1021 H HOH A 341 3.568 20.488 21.590
+HETATM 1022 H HOH A 341 4.985 19.702 21.791
+HETATM 1023 O HOH A 341 3.995 19.592 21.710
+HETATM 1024 H HOH A 342 26.186 39.500 39.279
+HETATM 1025 H HOH A 342 26.063 39.999 37.730
+HETATM 1026 O HOH A 342 25.577 39.569 38.489
+HETATM 1027 H HOH A 343 21.478 37.161 7.528
+HETATM 1028 H HOH A 343 21.990 36.851 9.047
+HETATM 1029 O HOH A 343 21.188 36.922 8.454
+HETATM 1030 H HOH A 344 21.028 21.856 32.399
+HETATM 1031 H HOH A 344 20.248 23.287 32.308
+HETATM 1032 O HOH A 344 20.380 22.463 32.858
+HETATM 1033 H HOH A 345 20.795 27.267 29.718
+HETATM 1034 H HOH A 345 21.948 26.205 30.173
+HETATM 1035 O HOH A 345 21.671 27.165 30.189
+HETATM 1036 H HOH A 346 11.305 29.603 36.241
+HETATM 1037 H HOH A 346 9.780 30.178 36.131
+HETATM 1038 O HOH A 346 10.733 30.420 36.313
+HETATM 1039 H HOH A 347 7.078 31.674 22.468
+HETATM 1040 H HOH A 347 5.835 31.568 23.521
+HETATM 1041 O HOH A 347 6.640 32.099 23.260
+HETATM 1042 H HOH A 348 33.797 13.110 35.984
+HETATM 1043 H HOH A 348 33.979 12.334 37.408
+HETATM 1044 O HOH A 348 33.867 12.214 36.422
+HETATM 1045 H HOH A 349 9.538 8.839 35.247
+HETATM 1046 H HOH A 349 9.355 8.028 33.842
+HETATM 1047 O HOH A 349 9.551 8.919 34.250
+HETATM 1048 H HOH A 350 9.597 34.039 33.697
+HETATM 1049 H HOH A 350 9.629 35.106 34.932
+HETATM 1050 O HOH A 350 9.638 34.136 34.691
+HETATM 1051 H HOH A 351 8.935 26.762 38.826
+HETATM 1052 H HOH A 351 10.336 26.342 39.553
+HETATM 1053 O HOH A 351 9.467 26.821 39.671
+HETATM 1054 H HOH A 352 31.179 23.376 31.981
+HETATM 1055 H HOH A 352 32.691 22.778 32.131
+HETATM 1056 O HOH A 352 31.719 22.544 32.109
+HETATM 1057 H HOH A 353 34.576 23.968 38.391
+HETATM 1058 H HOH A 353 33.992 25.463 38.689
+HETATM 1059 O HOH A 353 33.775 24.562 38.316
+HETATM 1060 H HOH A 354 34.301 2.261 39.993
+HETATM 1061 H HOH A 354 35.454 2.180 38.839
+HETATM 1062 O HOH A 354 35.023 1.693 39.598
+HETATM 1063 H HOH A 355 5.892 30.793 37.099
+HETATM 1064 H HOH A 355 6.846 30.066 38.207
+HETATM 1065 O HOH A 355 6.604 30.105 37.239
+HETATM 1066 H HOH A 356 31.109 35.525 34.311
+HETATM 1067 H HOH A 356 32.140 36.670 33.768
+HETATM 1068 O HOH A 356 31.306 36.506 34.294
+HETATM 1069 H HOH A 357 1.966 33.032 25.644
+HETATM 1070 H HOH A 357 2.530 32.653 24.159
+HETATM 1071 O HOH A 357 2.561 32.415 25.129
+HETATM 1072 H HOH A 358 4.339 18.645 5.643
+HETATM 1073 H HOH A 358 3.198 17.830 4.806
+HETATM 1074 O HOH A 358 3.730 18.675 4.851
+HETATM 1075 H HOH A 359 17.764 37.166 39.474
+HETATM 1076 H HOH A 359 16.811 38.383 40.000
+HETATM 1077 O HOH A 359 16.833 37.530 39.480
+HETATM 1078 H HOH A 360 32.211 10.153 34.055
+HETATM 1079 H HOH A 360 33.339 11.330 33.951
+HETATM 1080 O HOH A 360 33.004 10.482 33.541
+HETATM 1081 H HOH A 361 1.906 37.769 19.708
+HETATM 1082 H HOH A 361 0.442 38.470 19.887
+HETATM 1083 O HOH A 361 1.402 38.633 19.665
+HETATM 1084 H HOH A 362 23.247 7.051 27.585
+HETATM 1085 H HOH A 362 24.054 8.048 28.596
+HETATM 1086 O HOH A 362 23.149 7.746 28.298
+HETATM 1087 H HOH A 363 21.262 37.948 30.113
+HETATM 1088 H HOH A 363 22.215 39.098 30.772
+HETATM 1089 O HOH A 363 22.185 38.331 30.132
+HETATM 1090 H HOH A 364 1.332 12.049 39.738
+HETATM 1091 H HOH A 364 1.936 11.819 38.238
+HETATM 1092 O HOH A 364 1.218 12.268 38.768
+HETATM 1093 H HOH A 365 36.336 2.590 12.948
+HETATM 1094 H HOH A 365 34.814 2.957 13.413
+HETATM 1095 O HOH A 365 35.754 3.292 13.360
+HETATM 1096 H HOH A 366 26.991 29.155 17.656
+HETATM 1097 H HOH A 366 28.365 28.348 18.015
+HETATM 1098 O HOH A 366 27.965 29.251 17.862
+HETATM 1099 H HOH A 367 30.858 19.116 28.915
+HETATM 1100 H HOH A 367 29.227 19.195 28.893
+HETATM 1101 O HOH A 367 30.016 18.729 29.292
+HETATM 1102 H HOH A 368 16.594 23.559 27.758
+HETATM 1103 H HOH A 368 16.849 25.026 27.086
+HETATM 1104 O HOH A 368 17.277 24.158 27.338
+HETATM 1105 H HOH A 369 28.834 38.213 13.039
+HETATM 1106 H HOH A 369 28.525 36.617 12.895
+HETATM 1107 O HOH A 369 28.596 37.482 12.400
+HETATM 1108 H HOH A 370 12.384 1.956 9.873
+HETATM 1109 H HOH A 370 12.583 1.919 11.493
+HETATM 1110 O HOH A 370 12.502 2.514 10.694
+HETATM 1111 H HOH A 371 1.454 8.411 28.760
+HETATM 1112 H HOH A 371 0.050 9.241 28.681
+HETATM 1113 O HOH A 371 1.046 9.322 28.710
+HETATM 1114 H HOH A 372 33.270 15.067 1.070
+HETATM 1115 H HOH A 372 33.939 14.142 2.237
+HETATM 1116 O HOH A 372 34.131 14.758 1.474
+HETATM 1117 H HOH A 373 35.834 21.660 21.480
+HETATM 1118 H HOH A 373 36.078 23.247 21.779
+HETATM 1119 O HOH A 373 36.437 22.325 21.920
+HETATM 1120 H HOH A 374 31.429 26.401 27.832
+HETATM 1121 H HOH A 374 32.858 26.290 28.614
+HETATM 1122 O HOH A 374 31.913 25.965 28.591
+HETATM 1123 H HOH A 375 11.065 10.617 11.423
+HETATM 1124 H HOH A 375 12.402 10.468 10.498
+HETATM 1125 O HOH A 375 11.913 11.062 11.135
+HETATM 1126 H HOH A 376 34.486 9.745 35.605
+HETATM 1127 H HOH A 376 34.897 10.365 37.058
+HETATM 1128 O HOH A 376 34.682 9.525 36.561
+HETATM 1129 H HOH A 377 16.374 7.459 26.780
+HETATM 1130 H HOH A 377 16.984 7.419 28.295
+HETATM 1131 O HOH A 377 16.802 8.002 27.504
+HETATM 1132 H HOH A 378 30.931 27.121 22.778
+HETATM 1133 H HOH A 378 30.509 26.929 21.213
+HETATM 1134 O HOH A 378 31.273 26.936 21.857
+HETATM 1135 H HOH A 379 30.048 18.207 26.626
+HETATM 1136 H HOH A 379 29.698 19.785 26.394
+HETATM 1137 O HOH A 379 29.341 18.909 26.715
+HETATM 1138 H HOH A 380 29.551 25.824 30.774
+HETATM 1139 H HOH A 380 30.607 27.030 31.088
+HETATM 1140 O HOH A 380 29.912 26.699 30.450
+HETATM 1141 H HOH A 381 15.332 40.000 2.367
+HETATM 1142 H HOH A 381 14.447 38.634 2.234
+HETATM 1143 O HOH A 381 14.444 39.581 2.554
+HETATM 1144 H HOH A 382 3.557 13.544 24.941
+HETATM 1145 H HOH A 382 3.495 14.345 26.363
+HETATM 1146 O HOH A 382 4.051 13.746 25.787
+HETATM 1147 H HOH A 383 37.936 11.047 10.436
+HETATM 1148 H HOH A 383 38.737 11.325 9.040
+HETATM 1149 O HOH A 383 37.937 10.887 9.448
+HETATM 1150 H HOH A 384 39.376 31.524 22.881
+HETATM 1151 H HOH A 384 38.975 29.946 23.007
+HETATM 1152 O HOH A 384 38.617 30.873 22.902
+HETATM 1153 H HOH A 385 24.529 37.427 2.022
+HETATM 1154 H HOH A 385 24.869 37.885 3.552
+HETATM 1155 O HOH A 385 24.135 37.679 2.906
+HETATM 1156 H HOH A 386 10.421 20.011 15.641
+HETATM 1157 H HOH A 386 10.473 21.014 16.928
+HETATM 1158 O HOH A 386 10.288 20.953 15.947
+HETATM 1159 H HOH A 387 2.306 3.570 6.942
+HETATM 1160 H HOH A 387 0.780 3.025 6.740
+HETATM 1161 O HOH A 387 1.736 2.754 6.844
+HETATM 1162 H HOH A 388 6.838 0.308 36.618
+HETATM 1163 H HOH A 388 6.364 0.351 38.180
+HETATM 1164 O HOH A 388 6.912 0.809 37.480
+HETATM 1165 H HOH A 389 29.955 27.994 24.581
+HETATM 1166 H HOH A 389 28.398 27.795 25.029
+HETATM 1167 O HOH A 389 29.335 27.480 25.173
+HETATM 1168 H HOH A 390 9.218 22.897 17.248
+HETATM 1169 H HOH A 390 8.029 22.921 16.129
+HETATM 1170 O HOH A 390 8.710 22.348 16.583
+HETATM 1171 H HOH A 391 25.247 11.247 19.897
+HETATM 1172 H HOH A 391 24.305 12.008 18.801
+HETATM 1173 O HOH A 391 24.512 11.914 19.774
+HETATM 1174 H HOH A 392 17.486 33.541 29.974
+HETATM 1175 H HOH A 392 16.113 32.778 30.423
+HETATM 1176 O HOH A 392 16.501 33.646 30.114
+HETATM 1177 H HOH A 393 23.758 11.672 8.946
+HETATM 1178 H HOH A 393 24.012 10.471 10.023
+HETATM 1179 O HOH A 393 23.368 10.849 9.359
+HETATM 1180 H HOH A 394 2.380 16.639 29.165
+HETATM 1181 H HOH A 394 1.499 16.001 30.383
+HETATM 1182 O HOH A 394 1.934 16.833 30.039
+HETATM 1183 H HOH A 395 4.476 10.227 21.144
+HETATM 1184 H HOH A 395 4.874 8.664 20.889
+HETATM 1185 O HOH A 395 4.133 9.288 21.135
+HETATM 1186 H HOH A 396 1.650 15.779 8.508
+HETATM 1187 H HOH A 396 0.873 14.501 9.164
+HETATM 1188 O HOH A 396 1.702 14.797 8.690
+HETATM 1189 H HOH A 397 33.012 3.533 38.152
+HETATM 1190 H HOH A 397 32.559 4.989 37.567
+HETATM 1191 O HOH A 397 32.303 4.026 37.648
+HETATM 1192 H HOH A 398 8.312 33.190 1.630
+HETATM 1193 H HOH A 398 8.347 34.372 2.756
+HETATM 1194 O HOH A 398 8.378 34.177 1.777
+HETATM 1195 H HOH A 399 0.625 12.469 4.560
+HETATM 1196 H HOH A 399 0.490 12.897 6.130
+HETATM 1197 O HOH A 399 0.014 12.855 5.252
+HETATM 1198 H HOH A 400 25.165 23.757 20.182
+HETATM 1199 H HOH A 400 24.442 23.055 21.467
+HETATM 1200 O HOH A 400 24.330 23.314 20.508
+HETATM 1201 H HOH A 401 8.705 35.440 26.248
+HETATM 1202 H HOH A 401 7.136 35.891 26.275
+HETATM 1203 O HOH A 401 7.760 35.113 26.215
+HETATM 1204 H HOH A 402 21.988 29.203 15.737
+HETATM 1205 H HOH A 402 20.518 28.801 16.325
+HETATM 1206 O HOH A 402 21.153 28.681 15.562
+HETATM 1207 H HOH A 403 23.075 35.141 16.149
+HETATM 1208 H HOH A 403 22.552 33.880 17.046
+HETATM 1209 O HOH A 403 22.274 34.606 16.418
+HETATM 1210 H HOH A 404 37.863 32.675 18.250
+HETATM 1211 H HOH A 404 37.049 33.802 17.393
+HETATM 1212 O HOH A 404 37.036 32.857 17.719
+HETATM 1213 H HOH A 405 15.780 28.351 16.396
+HETATM 1214 H HOH A 405 14.151 28.466 16.432
+HETATM 1215 O HOH A 405 14.924 27.833 16.410
+HETATM 1216 H HOH A 406 14.887 1.569 25.087
+HETATM 1217 H HOH A 406 14.798 1.244 23.490
+HETATM 1218 O HOH A 406 14.561 1.903 24.203
+HETATM 1219 H HOH A 407 32.572 16.404 32.673
+HETATM 1220 H HOH A 407 31.962 17.555 31.688
+HETATM 1221 O HOH A 407 32.298 16.615 31.735
+HETATM 1222 H HOH A 408 14.897 38.148 14.059
+HETATM 1223 H HOH A 408 15.594 39.617 13.907
+HETATM 1224 O HOH A 408 15.395 38.870 14.540
+HETATM 1225 H HOH A 409 37.006 26.371 35.872
+HETATM 1226 H HOH A 409 35.868 25.480 35.113
+HETATM 1227 O HOH A 409 36.544 26.207 35.000
+HETATM 1228 H HOH A 410 7.777 12.595 36.982
+HETATM 1229 H HOH A 410 6.293 12.149 36.469
+HETATM 1230 O HOH A 410 7.035 12.807 36.346
+HETATM 1231 H HOH A 411 32.645 20.951 25.497
+HETATM 1232 H HOH A 411 33.072 21.352 23.972
+HETATM 1233 O HOH A 411 32.331 21.366 24.642
+HETATM 1234 H HOH A 412 13.615 24.409 19.751
+HETATM 1235 H HOH A 412 14.259 22.979 19.296
+HETATM 1236 O HOH A 412 14.422 23.821 19.810
+HETATM 1237 H HOH A 413 14.092 6.377 25.162
+HETATM 1238 H HOH A 413 14.082 5.021 26.070
+HETATM 1239 O HOH A 413 13.511 5.716 25.636
+HETATM 1240 H HOH A 414 9.458 12.672 6.301
+HETATM 1241 H HOH A 414 8.036 11.869 6.317
+HETATM 1242 O HOH A 414 8.606 12.510 5.803
+HETATM 1243 H HOH A 415 15.549 20.926 29.054
+HETATM 1244 H HOH A 415 14.376 19.822 28.784
+HETATM 1245 O HOH A 415 14.592 20.798 28.794
+HETATM 1246 H HOH A 416 36.433 14.419 9.930
+HETATM 1247 H HOH A 416 37.547 13.546 9.115
+HETATM 1248 O HOH A 416 37.325 13.970 9.992
+HETATM 1249 H HOH A 417 10.091 34.263 18.498
+HETATM 1250 H HOH A 417 11.310 33.265 18.926
+HETATM 1251 O HOH A 417 10.514 33.372 18.331
+HETATM 1252 H HOH A 418 25.738 33.572 40.006
+HETATM 1253 H HOH A 418 26.146 32.574 38.781
+HETATM 1254 O HOH A 418 25.516 32.714 39.544
+HETATM 1255 H HOH A 419 12.400 38.934 7.733
+HETATM 1256 H HOH A 419 12.741 37.343 7.597
+HETATM 1257 O HOH A 419 12.603 38.194 7.092
+HETATM 1258 H HOH A 420 20.819 28.878 23.642
+HETATM 1259 H HOH A 420 19.385 28.180 23.288
+HETATM 1260 O HOH A 420 19.909 28.656 23.994
+HETATM 1261 H HOH A 421 13.289 35.720 4.935
+HETATM 1262 H HOH A 421 13.674 37.095 4.144
+HETATM 1263 O HOH A 421 14.028 36.357 4.717
+HETATM 1264 H HOH A 422 2.856 23.550 21.828
+HETATM 1265 H HOH A 422 3.333 24.897 22.619
+HETATM 1266 O HOH A 422 3.532 23.931 22.459
+HETATM 1267 H HOH A 423 16.754 28.689 4.999
+HETATM 1268 H HOH A 423 17.319 27.949 6.341
+HETATM 1269 O HOH A 423 17.077 27.822 5.379
+HETATM 1270 H HOH A 424 12.671 11.437 5.767
+HETATM 1271 H HOH A 424 11.406 12.370 5.324
+HETATM 1272 O HOH A 424 11.815 11.853 6.075
+HETATM 1273 H HOH A 425 33.729 28.860 5.445
+HETATM 1274 H HOH A 425 32.209 28.566 4.926
+HETATM 1275 O HOH A 425 33.010 28.168 5.371
+HETATM 1276 H HOH A 426 35.088 16.617 7.524
+HETATM 1277 H HOH A 426 34.246 15.370 6.890
+HETATM 1278 O HOH A 426 34.173 16.273 7.312
+HETATM 1279 H HOH A 427 37.941 34.734 23.161
+HETATM 1280 H HOH A 427 36.953 34.315 21.930
+HETATM 1281 O HOH A 427 37.275 34.060 22.842
+HETATM 1282 H HOH A 428 3.509 24.092 15.598
+HETATM 1283 H HOH A 428 4.589 23.294 16.528
+HETATM 1284 O HOH A 428 4.439 23.726 15.639
+HETATM 1285 H HOH A 429 35.971 24.276 7.076
+HETATM 1286 H HOH A 429 35.540 24.702 5.559
+HETATM 1287 O HOH A 429 35.260 24.199 6.376
+HETATM 1288 H HOH A 430 8.378 7.386 37.148
+HETATM 1289 H HOH A 430 7.768 7.346 38.662
+HETATM 1290 O HOH A 430 8.073 6.790 37.891
+HETATM 1291 H HOH A 431 6.923 25.009 28.043
+HETATM 1292 H HOH A 431 5.371 25.514 27.975
+HETATM 1293 O HOH A 431 6.325 25.811 28.004
+HETATM 1294 H HOH A 432 33.081 23.396 22.560
+HETATM 1295 H HOH A 432 32.824 23.405 20.947
+HETATM 1296 O HOH A 432 33.323 23.839 21.696
+HETATM 1297 H HOH A 433 29.321 -0.000 19.506
+HETATM 1298 H HOH A 433 28.836 1.559 19.521
+HETATM 1299 O HOH A 433 28.527 0.609 19.516
+HETATM 1300 H HOH A 434 17.588 25.037 10.848
+HETATM 1301 H HOH A 434 17.015 26.406 11.529
+HETATM 1302 O HOH A 434 17.237 25.446 11.691
+HETATM 1303 H HOH A 435 36.732 35.613 32.575
+HETATM 1304 H HOH A 435 36.168 34.138 32.992
+HETATM 1305 O HOH A 435 35.949 34.993 32.522
+HETATM 1306 H HOH A 436 10.733 29.252 2.206
+HETATM 1307 H HOH A 436 9.121 29.020 2.092
+HETATM 1308 O HOH A 436 9.835 29.659 2.376
+HETATM 1309 H HOH A 437 5.307 18.823 8.549
+HETATM 1310 H HOH A 437 6.124 17.834 9.558
+HETATM 1311 O HOH A 437 6.207 18.602 8.924
+HETATM 1312 H HOH A 438 1.622 31.525 39.359
+HETATM 1313 H HOH A 438 0.606 30.683 38.397
+HETATM 1314 O HOH A 438 0.722 31.093 39.301
+HETATM 1315 H HOH A 439 3.388 21.535 24.694
+HETATM 1316 H HOH A 439 4.414 22.693 24.169
+HETATM 1317 O HOH A 439 3.469 22.367 24.144
+HETATM 1318 H HOH A 440 12.129 34.527 3.495
+HETATM 1319 H HOH A 440 10.589 33.984 3.467
+HETATM 1320 O HOH A 440 11.167 34.800 3.484
+HETATM 1321 H HOH A 441 35.593 31.060 34.454
+HETATM 1322 H HOH A 441 34.246 30.367 35.064
+HETATM 1323 O HOH A 441 34.629 31.206 34.679
+HETATM 1324 H HOH A 442 6.483 38.415 25.596
+HETATM 1325 H HOH A 442 6.724 40.003 25.889
+HETATM 1326 O HOH A 442 7.173 39.118 25.770
+HETATM 1327 H HOH A 443 39.466 38.417 16.117
+HETATM 1328 H HOH A 443 39.650 39.919 15.504
+HETATM 1329 O HOH A 443 39.561 39.386 16.345
+HETATM 1330 H HOH A 444 20.279 13.049 32.930
+HETATM 1331 H HOH A 444 18.648 12.977 32.883
+HETATM 1332 O HOH A 444 19.435 13.577 33.024
+HETATM 1333 H HOH A 445 39.494 26.397 9.163
+HETATM 1334 H HOH A 445 37.996 25.755 9.058
+HETATM 1335 O HOH A 445 38.518 26.607 9.094
+HETATM 1336 H HOH A 446 27.112 23.687 36.318
+HETATM 1337 H HOH A 446 27.801 22.310 36.862
+HETATM 1338 O HOH A 446 27.076 22.688 36.288
+HETATM 1339 H HOH A 447 38.389 19.743 11.105
+HETATM 1340 H HOH A 447 37.714 21.188 11.456
+HETATM 1341 O HOH A 447 38.302 20.696 10.814
+HETATM 1342 H HOH A 448 25.085 10.209 21.829
+HETATM 1343 H HOH A 448 26.083 8.946 22.098
+HETATM 1344 O HOH A 448 25.870 9.887 22.358
+HETATM 1345 H HOH A 449 34.869 29.492 29.227
+HETATM 1346 H HOH A 449 34.009 28.610 30.299
+HETATM 1347 O HOH A 449 34.388 28.628 29.375
+HETATM 1348 H HOH A 450 26.349 34.684 25.160
+HETATM 1349 H HOH A 450 26.780 33.125 24.938
+HETATM 1350 O HOH A 450 26.444 33.951 24.487
+HETATM 1351 H HOH A 451 35.604 20.870 29.114
+HETATM 1352 H HOH A 451 36.874 19.854 29.264
+HETATM 1353 O HOH A 451 36.600 20.794 29.063
+HETATM 1354 H HOH A 452 25.262 15.912 17.029
+HETATM 1355 H HOH A 452 24.847 14.508 17.751
+HETATM 1356 O HOH A 452 24.640 15.483 17.684
+HETATM 1357 H HOH A 453 24.004 22.875 9.434
+HETATM 1358 H HOH A 453 24.972 23.121 10.726
+HETATM 1359 O HOH A 453 24.071 23.305 10.334
+HETATM 1360 H HOH A 454 39.650 12.288 3.525
+HETATM 1361 H HOH A 454 38.501 11.130 3.588
+HETATM 1362 O HOH A 454 38.680 12.108 3.690
+HETATM 1363 H HOH A 455 14.831 34.900 9.232
+HETATM 1364 H HOH A 455 13.366 35.615 9.336
+HETATM 1365 O HOH A 455 14.346 35.774 9.216
+HETATM 1366 H HOH A 456 1.311 13.784 18.836
+HETATM 1367 H HOH A 456 2.329 13.627 17.569
+HETATM 1368 O HOH A 456 1.538 13.232 18.034
+HETATM 1369 H HOH A 457 23.650 35.334 24.299
+HETATM 1370 H HOH A 457 22.631 36.609 24.252
+HETATM 1371 O HOH A 457 22.690 35.613 24.299
+HETATM 1372 H HOH A 458 24.049 30.169 28.904
+HETATM 1373 H HOH A 458 25.624 30.592 28.813
+HETATM 1374 O HOH A 458 24.921 29.980 28.452
+HETATM 1375 H HOH A 459 6.034 33.675 24.671
+HETATM 1376 H HOH A 459 5.460 35.203 24.625
+HETATM 1377 O HOH A 459 6.287 34.642 24.650
+HETATM 1378 H HOH A 460 9.330 8.810 6.231
+HETATM 1379 H HOH A 460 8.339 7.980 7.228
+HETATM 1380 O HOH A 460 8.467 8.307 6.293
+HETATM 1381 H HOH A 461 0.013 17.768 2.622
+HETATM 1382 H HOH A 461 1.403 18.626 2.610
+HETATM 1383 O HOH A 461 1.010 17.710 2.684
+HETATM 1384 H HOH A 462 3.436 15.241 15.857
+HETATM 1385 H HOH A 462 2.009 15.250 15.063
+HETATM 1386 O HOH A 462 2.595 14.728 15.683
+HETATM 1387 H HOH A 463 23.320 24.366 15.670
+HETATM 1388 H HOH A 463 24.086 25.804 15.778
+HETATM 1389 O HOH A 463 24.081 24.856 16.096
+HETATM 1390 H HOH A 464 22.991 33.474 0.350
+HETATM 1391 H HOH A 464 22.726 33.919 1.899
+HETATM 1392 O HOH A 464 22.336 33.453 1.106
+HETATM 1393 H HOH A 465 22.143 34.436 33.354
+HETATM 1394 H HOH A 465 21.213 33.110 33.560
+HETATM 1395 O HOH A 465 21.717 33.657 32.893
+HETATM 1396 H HOH A 466 14.790 24.773 35.619
+HETATM 1397 H HOH A 466 14.307 26.330 35.724
+HETATM 1398 O HOH A 466 15.091 25.726 35.578
+HETATM 1399 H HOH A 467 12.298 2.536 16.170
+HETATM 1400 H HOH A 467 11.704 3.720 15.214
+HETATM 1401 O HOH A 467 11.665 2.743 15.424
+HETATM 1402 H HOH A 468 13.561 28.384 25.986
+HETATM 1403 H HOH A 468 12.608 27.084 26.246
+HETATM 1404 O HOH A 468 12.697 28.070 26.380
+HETATM 1405 H HOH A 469 8.709 17.006 16.235
+HETATM 1406 H HOH A 469 7.236 17.691 16.074
+HETATM 1407 O HOH A 469 7.728 16.826 16.157
+HETATM 1408 H HOH A 470 24.712 38.630 29.745
+HETATM 1409 H HOH A 470 26.145 39.058 29.091
+HETATM 1410 O HOH A 470 25.661 38.871 29.946
+HETATM 1411 H HOH A 471 25.938 34.700 31.572
+HETATM 1412 H HOH A 471 27.383 33.944 31.651
+HETATM 1413 O HOH A 471 26.927 34.833 31.639
+HETATM 1414 H HOH A 472 11.357 18.908 12.958
+HETATM 1415 H HOH A 472 12.432 17.938 12.203
+HETATM 1416 O HOH A 472 12.328 18.694 12.849
+HETATM 1417 H HOH A 473 38.676 1.177 4.040
+HETATM 1418 H HOH A 473 38.656 1.392 2.422
+HETATM 1419 O HOH A 473 38.600 0.716 3.156
+HETATM 1420 H HOH A 474 20.184 1.592 33.164
+HETATM 1421 H HOH A 474 18.585 1.824 33.401
+HETATM 1422 O HOH A 474 19.368 1.244 33.625
+HETATM 1423 H HOH A 475 29.082 15.990 34.755
+HETATM 1424 H HOH A 475 28.829 17.587 34.526
+HETATM 1425 O HOH A 475 28.469 16.756 34.948
+HETATM 1426 H HOH A 476 34.548 4.035 20.331
+HETATM 1427 H HOH A 476 36.100 4.447 20.036
+HETATM 1428 O HOH A 476 35.501 3.742 20.414
+HETATM 1429 H HOH A 477 11.279 29.098 15.494
+HETATM 1430 H HOH A 477 10.096 29.328 14.391
+HETATM 1431 O HOH A 477 10.311 28.946 15.290
+HETATM 1432 H HOH A 478 2.759 19.278 38.498
+HETATM 1433 H HOH A 478 3.350 19.447 40.011
+HETATM 1434 O HOH A 478 2.984 19.934 39.219
+HETATM 1435 H HOH A 479 33.159 37.047 5.104
+HETATM 1436 H HOH A 479 32.637 36.899 6.645
+HETATM 1437 O HOH A 479 33.415 36.770 6.031
+HETATM 1438 H HOH A 480 29.902 22.287 38.586
+HETATM 1439 H HOH A 480 28.779 23.449 38.819
+HETATM 1440 O HOH A 480 29.719 23.171 39.015
+HETATM 1441 H HOH A 481 16.504 6.127 7.667
+HETATM 1442 H HOH A 481 17.763 5.904 8.683
+HETATM 1443 O HOH A 481 17.211 5.484 7.963
+HETATM 1444 H HOH A 482 26.486 35.367 7.496
+HETATM 1445 H HOH A 482 25.454 34.102 7.498
+HETATM 1446 O HOH A 482 26.361 34.415 7.216
+HETATM 1447 H HOH A 483 16.397 5.760 19.133
+HETATM 1448 H HOH A 483 16.149 5.683 20.745
+HETATM 1449 O HOH A 483 16.010 5.211 19.875
+HETATM 1450 H HOH A 484 21.939 5.235 9.833
+HETATM 1451 H HOH A 484 21.002 4.672 11.045
+HETATM 1452 O HOH A 484 21.541 4.415 10.244
+HETATM 1453 H HOH A 485 5.984 27.175 9.818
+HETATM 1454 H HOH A 485 6.541 27.749 8.394
+HETATM 1455 O HOH A 485 6.446 26.934 8.964
+HETATM 1456 H HOH A 486 16.194 3.672 9.557
+HETATM 1457 H HOH A 486 14.955 4.293 10.420
+HETATM 1458 O HOH A 486 15.403 3.449 10.126
+HETATM 1459 H HOH A 487 10.054 9.521 20.602
+HETATM 1460 H HOH A 487 9.998 9.362 18.978
+HETATM 1461 O HOH A 487 9.816 8.907 19.849
+HETATM 1462 H HOH A 488 17.104 35.137 9.249
+HETATM 1463 H HOH A 488 16.593 33.603 9.019
+HETATM 1464 O HOH A 488 17.391 34.205 9.027
+HETATM 1465 H HOH A 489 19.228 12.519 5.634
+HETATM 1466 H HOH A 489 18.945 10.956 6.014
+HETATM 1467 O HOH A 489 19.654 11.642 5.858
+HETATM 1468 H HOH A 490 19.491 14.265 6.986
+HETATM 1469 H HOH A 490 21.011 13.915 6.505
+HETATM 1470 O HOH A 490 20.339 13.796 7.234
+HETATM 1471 H HOH A 491 25.546 12.133 13.435
+HETATM 1472 H HOH A 491 26.820 11.402 12.722
+HETATM 1473 O HOH A 491 26.512 12.228 13.194
+HETATM 1474 H HOH A 492 1.161 24.705 22.911
+HETATM 1475 H HOH A 492 0.804 23.255 23.571
+HETATM 1476 O HOH A 492 0.512 23.943 22.908
+HETATM 1477 H HOH A 493 37.507 34.483 10.056
+HETATM 1478 H HOH A 493 37.177 36.069 10.261
+HETATM 1479 O HOH A 493 37.899 35.403 10.074
+HETATM 1480 H HOH A 494 0.284 37.657 36.829
+HETATM 1481 H HOH A 494 1.283 37.410 35.561
+HETATM 1482 O HOH A 494 0.348 37.300 35.897
+HETATM 1483 H HOH A 495 22.459 12.754 13.945
+HETATM 1484 H HOH A 495 23.485 11.487 13.854
+HETATM 1485 O HOH A 495 23.390 12.471 13.711
+HETATM 1486 H HOH A 496 21.794 17.559 8.599
+HETATM 1487 H HOH A 496 23.143 16.715 8.967
+HETATM 1488 O HOH A 496 22.324 17.149 9.341
+HETATM 1489 H HOH A 497 28.188 32.343 14.785
+HETATM 1490 H HOH A 497 28.376 33.965 14.779
+HETATM 1491 O HOH A 497 28.856 33.088 14.781
+HETATM 1492 H HOH A 498 -0.002 1.567 14.571
+HETATM 1493 H HOH A 498 1.326 1.268 15.473
+HETATM 1494 O HOH A 498 0.807 1.975 14.996
+HETATM 1495 H HOH A 499 25.087 38.854 15.058
+HETATM 1496 H HOH A 499 25.929 39.991 15.874
+HETATM 1497 O HOH A 499 25.477 39.774 15.009
+HETATM 1498 H HOH A 500 12.758 20.458 10.897
+HETATM 1499 H HOH A 500 13.775 20.828 9.673
+HETATM 1500 O HOH A 500 12.930 21.089 10.140
+HETATM 1501 H HOH A 501 37.952 13.800 1.286
+HETATM 1502 H HOH A 501 39.457 14.374 1.558
+HETATM 1503 O HOH A 501 38.584 14.554 1.106
+HETATM 1504 H HOH A 502 32.441 38.467 25.670
+HETATM 1505 H HOH A 502 33.678 38.927 26.631
+HETATM 1506 O HOH A 502 33.142 39.164 25.821
+HETATM 1507 H HOH A 503 5.595 16.647 39.386
+HETATM 1508 H HOH A 503 5.018 15.241 39.982
+HETATM 1509 O HOH A 503 4.767 16.118 39.573
+HETATM 1510 H HOH A 504 35.990 7.065 1.093
+HETATM 1511 H HOH A 504 36.137 8.207 2.250
+HETATM 1512 O HOH A 504 36.638 7.607 1.628
+HETATM 1513 H HOH A 505 34.506 6.675 7.185
+HETATM 1514 H HOH A 505 35.122 7.471 5.900
+HETATM 1515 O HOH A 505 34.996 7.495 6.891
+HETATM 1516 H HOH A 506 0.004 23.542 2.387
+HETATM 1517 H HOH A 506 0.234 21.953 2.088
+HETATM 1518 O HOH A 506 0.654 22.785 2.451
+HETATM 1519 H HOH A 507 3.252 26.014 28.286
+HETATM 1520 H HOH A 507 1.917 26.732 28.894
+HETATM 1521 O HOH A 507 2.775 26.276 29.126
+HETATM 1522 H HOH A 508 23.051 2.464 17.699
+HETATM 1523 H HOH A 508 22.158 1.166 18.127
+HETATM 1524 O HOH A 508 22.496 1.706 17.357
+HETATM 1525 H HOH A 509 9.040 4.436 18.176
+HETATM 1526 H HOH A 509 10.665 4.461 18.012
+HETATM 1527 O HOH A 509 9.863 3.871 18.099
+HETATM 1528 H HOH A 510 8.293 27.745 30.134
+HETATM 1529 H HOH A 510 7.829 26.273 29.599
+HETATM 1530 O HOH A 510 8.569 26.789 30.031
+HETATM 1531 H HOH A 511 1.920 35.154 34.023
+HETATM 1532 H HOH A 511 0.677 36.151 33.668
+HETATM 1533 O HOH A 511 0.963 35.196 33.738
+HETATM 1534 H HOH A 512 39.321 17.355 33.891
+HETATM 1535 H HOH A 512 37.918 17.332 33.055
+HETATM 1536 O HOH A 512 38.828 16.926 33.134
+HETATM 1537 H HOH A 513 21.924 17.102 18.726
+HETATM 1538 H HOH A 513 21.683 15.682 17.957
+HETATM 1539 O HOH A 513 22.364 16.370 18.207
+HETATM 1540 H HOH A 514 34.270 35.436 10.743
+HETATM 1541 H HOH A 514 34.947 36.544 11.732
+HETATM 1542 O HOH A 514 35.128 35.871 11.016
+HETATM 1543 H HOH A 515 37.427 16.129 19.070
+HETATM 1544 H HOH A 515 35.969 16.278 18.350
+HETATM 1545 O HOH A 515 36.951 16.183 18.192
+HETATM 1546 H HOH A 516 6.115 16.659 29.607
+HETATM 1547 H HOH A 516 7.089 16.151 30.815
+HETATM 1548 O HOH A 516 7.065 16.517 29.885
+HETATM 1549 H HOH A 517 38.825 9.190 0.012
+HETATM 1550 H HOH A 517 37.996 9.324 1.413
+HETATM 1551 O HOH A 517 38.907 9.285 1.005
+HETATM 1552 H HOH A 518 14.262 6.630 35.969
+HETATM 1553 H HOH A 518 14.515 7.562 37.286
+HETATM 1554 O HOH A 518 13.848 7.295 36.591
+HETATM 1555 H HOH A 519 20.316 28.625 38.966
+HETATM 1556 H HOH A 519 20.723 27.622 37.743
+HETATM 1557 O HOH A 519 20.272 27.683 38.633
+HETATM 1558 H HOH A 520 28.761 25.145 20.274
+HETATM 1559 H HOH A 520 27.133 25.083 20.390
+HETATM 1560 O HOH A 520 27.914 25.665 20.164
+HETATM 1561 H HOH A 521 8.185 0.083 32.514
+HETATM 1562 H HOH A 521 7.872 0.463 30.957
+HETATM 1563 O HOH A 521 7.523 -0.003 31.769
+HETATM 1564 H HOH A 522 31.524 20.913 19.415
+HETATM 1565 H HOH A 522 31.089 22.280 20.195
+HETATM 1566 O HOH A 522 31.860 21.759 19.829
+HETATM 1567 H HOH A 523 4.719 4.162 3.153
+HETATM 1568 H HOH A 523 5.898 4.421 4.253
+HETATM 1569 O HOH A 523 5.581 4.638 3.330
+HETATM 1570 H HOH A 524 9.674 19.464 21.582
+HETATM 1571 H HOH A 524 8.498 20.092 20.639
+HETATM 1572 O HOH A 524 9.376 19.614 20.639
+HETATM 1573 H HOH A 525 11.019 27.273 0.498
+HETATM 1574 H HOH A 525 12.495 26.584 0.614
+HETATM 1575 O HOH A 525 11.512 26.408 0.594
+HETATM 1576 H HOH A 526 21.864 6.918 18.442
+HETATM 1577 H HOH A 526 20.715 5.759 18.394
+HETATM 1578 O HOH A 526 21.699 5.933 18.398
+HETATM 1579 H HOH A 527 37.953 3.211 15.649
+HETATM 1580 H HOH A 527 36.403 3.693 15.475
+HETATM 1581 O HOH A 527 37.358 3.945 15.321
+HETATM 1582 H HOH A 528 6.419 24.670 15.810
+HETATM 1583 H HOH A 528 5.341 25.736 15.202
+HETATM 1584 O HOH A 528 5.894 25.500 16.001
+HETATM 1585 H HOH A 529 35.642 32.926 13.575
+HETATM 1586 H HOH A 529 35.887 33.853 14.898
+HETATM 1587 O HOH A 529 35.194 33.452 14.299
+HETATM 1588 H HOH A 530 7.108 39.278 13.654
+HETATM 1589 H HOH A 530 6.427 38.395 14.847
+HETATM 1590 O HOH A 530 7.291 38.679 14.434
+HETATM 1591 H HOH A 531 8.332 19.044 11.850
+HETATM 1592 H HOH A 531 8.095 18.326 10.402
+HETATM 1593 O HOH A 531 7.948 18.244 11.388
+HETATM 1594 H HOH A 532 28.098 16.127 21.950
+HETATM 1595 H HOH A 532 28.567 14.817 22.804
+HETATM 1596 O HOH A 532 27.818 15.228 22.287
+HETATM 1597 H HOH A 533 37.019 11.082 18.349
+HETATM 1598 H HOH A 533 38.265 11.769 19.151
+HETATM 1599 O HOH A 533 37.828 10.903 18.909
+HETATM 1600 H HOH A 534 14.957 5.631 6.183
+HETATM 1601 H HOH A 534 13.869 4.414 6.217
+HETATM 1602 O HOH A 534 14.832 4.645 6.078
+HETATM 1603 H HOH A 535 4.973 17.143 0.005
+HETATM 1604 H HOH A 535 4.063 17.682 1.250
+HETATM 1605 O HOH A 535 4.938 17.269 0.997
+HETATM 1606 H HOH A 536 38.338 31.270 11.836
+HETATM 1607 H HOH A 536 37.974 29.682 11.953
+HETATM 1608 O HOH A 536 38.718 30.346 11.875
+HETATM 1609 H HOH A 537 7.199 37.205 18.033
+HETATM 1610 H HOH A 537 8.744 37.668 18.287
+HETATM 1611 O HOH A 537 7.793 37.816 18.557
+HETATM 1612 H HOH A 538 14.524 38.706 27.315
+HETATM 1613 H HOH A 538 14.246 39.993 26.349
+HETATM 1614 O HOH A 538 14.310 39.683 27.297
+HETATM 1615 H HOH A 539 35.592 8.304 14.543
+HETATM 1616 H HOH A 539 36.403 7.012 15.127
+HETATM 1617 O HOH A 539 35.593 7.307 14.621
+HETATM 1618 H HOH A 540 17.962 24.089 24.106
+HETATM 1619 H HOH A 540 19.150 22.968 24.096
+HETATM 1620 O HOH A 540 18.182 23.133 23.910
+HETATM 1621 H HOH A 541 30.173 16.119 37.866
+HETATM 1622 H HOH A 541 30.093 16.317 39.485
+HETATM 1623 O HOH A 541 29.841 16.710 38.602
+HETATM 1624 H HOH A 542 25.491 1.241 38.506
+HETATM 1625 H HOH A 542 27.065 1.676 38.512
+HETATM 1626 O HOH A 542 26.125 2.015 38.504
+HETATM 1627 H HOH A 543 13.443 15.809 20.636
+HETATM 1628 H HOH A 543 11.855 15.429 20.587
+HETATM 1629 O HOH A 543 12.778 15.108 20.378
+HETATM 1630 H HOH A 544 16.828 11.661 32.341
+HETATM 1631 H HOH A 544 16.060 12.639 31.283
+HETATM 1632 O HOH A 544 16.081 11.722 31.680
+HETATM 1633 H HOH A 545 24.447 29.233 3.162
+HETATM 1634 H HOH A 545 23.022 29.891 2.711
+HETATM 1635 O HOH A 545 23.992 30.074 2.870
+HETATM 1636 H HOH A 546 24.514 0.001 3.000
+HETATM 1637 H HOH A 546 26.116 0.005 3.316
+HETATM 1638 O HOH A 546 25.272 0.538 3.371
+HETATM 1639 H HOH A 547 19.312 33.739 11.091
+HETATM 1640 H HOH A 547 19.418 34.482 12.541
+HETATM 1641 O HOH A 547 19.331 33.599 12.081
+HETATM 1642 H HOH A 548 13.212 23.855 39.634
+HETATM 1643 H HOH A 548 13.470 22.245 39.549
+HETATM 1644 O HOH A 548 12.774 22.956 39.641
+HETATM 1645 H HOH A 549 38.870 3.061 33.553
+HETATM 1646 H HOH A 549 37.844 1.797 33.674
+HETATM 1647 O HOH A 549 38.802 2.064 33.583
+HETATM 1648 H HOH A 550 19.351 12.349 20.956
+HETATM 1649 H HOH A 550 18.699 13.791 20.553
+HETATM 1650 O HOH A 550 19.553 13.300 20.721
+HETATM 1651 H HOH A 551 21.236 6.946 39.847
+HETATM 1652 H HOH A 551 22.600 6.340 39.185
+HETATM 1653 O HOH A 551 22.206 6.760 40.002
+HETATM 1654 H HOH A 552 17.013 11.638 4.925
+HETATM 1655 H HOH A 552 16.720 13.232 4.721
+HETATM 1656 O HOH A 552 17.341 12.481 4.498
+HETATM 1657 H HOH A 553 34.252 34.905 30.616
+HETATM 1658 H HOH A 553 32.852 35.543 30.069
+HETATM 1659 O HOH A 553 33.470 34.760 30.010
+HETATM 1660 H HOH A 554 23.483 27.843 26.487
+HETATM 1661 H HOH A 554 22.871 29.275 26.978
+HETATM 1662 O HOH A 554 23.710 28.747 26.848
+HETATM 1663 H HOH A 555 12.987 11.987 37.942
+HETATM 1664 H HOH A 555 12.371 13.088 38.978
+HETATM 1665 O HOH A 555 12.152 12.317 38.381
+HETATM 1666 H HOH A 556 8.315 33.651 27.768
+HETATM 1667 H HOH A 556 9.292 33.474 29.065
+HETATM 1668 O HOH A 556 9.059 34.065 28.294
+HETATM 1669 H HOH A 557 25.076 27.867 17.341
+HETATM 1670 H HOH A 557 24.618 26.379 17.834
+HETATM 1671 O HOH A 557 25.283 26.890 17.290
+HETATM 1672 H HOH A 558 14.772 33.328 19.308
+HETATM 1673 H HOH A 558 13.716 34.544 19.577
+HETATM 1674 O HOH A 558 14.241 34.059 18.879
+HETATM 1675 H HOH A 559 7.747 36.709 11.562
+HETATM 1676 H HOH A 559 6.757 37.323 12.706
+HETATM 1677 O HOH A 559 7.436 37.548 12.008
+HETATM 1678 H HOH A 560 30.349 11.590 32.723
+HETATM 1679 H HOH A 560 31.735 12.408 32.449
+HETATM 1680 O HOH A 560 30.822 12.462 32.852
+HETATM 1681 H HOH A 561 22.042 10.793 4.520
+HETATM 1682 H HOH A 561 22.018 12.174 5.392
+HETATM 1683 O HOH A 561 22.570 11.600 4.789
+HETATM 1684 H HOH A 562 16.204 22.774 18.057
+HETATM 1685 H HOH A 562 17.547 23.688 17.891
+HETATM 1686 O HOH A 562 16.632 23.510 17.532
+HETATM 1687 H HOH A 563 15.740 13.414 16.831
+HETATM 1688 H HOH A 563 17.053 13.341 17.799
+HETATM 1689 O HOH A 563 16.409 12.804 17.257
+HETATM 1690 H HOH A 564 15.247 20.797 18.240
+HETATM 1691 H HOH A 564 16.756 20.184 18.131
+HETATM 1692 O HOH A 564 15.788 19.957 18.228
+HETATM 1693 H HOH A 565 19.061 32.441 32.961
+HETATM 1694 H HOH A 565 17.561 32.416 33.606
+HETATM 1695 O HOH A 565 18.435 32.901 33.590
+HETATM 1696 H HOH A 566 33.505 35.674 26.513
+HETATM 1697 H HOH A 566 34.018 35.783 28.059
+HETATM 1698 O HOH A 566 34.027 35.219 27.234
+HETATM 1699 H HOH A 567 34.895 30.875 31.983
+HETATM 1700 H HOH A 567 34.854 29.355 32.578
+HETATM 1701 O HOH A 567 35.391 30.008 32.045
+HETATM 1702 H HOH A 568 3.650 29.175 4.143
+HETATM 1703 H HOH A 568 5.216 29.364 3.718
+HETATM 1704 O HOH A 568 4.449 28.724 3.743
+HETATM 1705 H HOH A 569 18.859 7.259 27.146
+HETATM 1706 H HOH A 569 20.432 7.131 27.565
+HETATM 1707 O HOH A 569 19.755 7.701 27.100
+HETATM 1708 H HOH A 570 20.433 38.923 19.188
+HETATM 1709 H HOH A 570 20.616 39.167 17.584
+HETATM 1710 O HOH A 570 20.227 38.563 18.278
+HETATM 1711 H HOH A 571 25.087 2.589 1.877
+HETATM 1712 H HOH A 571 23.772 2.745 0.922
+HETATM 1713 O HOH A 571 24.750 2.541 0.937
+HETATM 1714 H HOH A 572 12.939 15.813 18.298
+HETATM 1715 H HOH A 572 14.372 16.595 18.296
+HETATM 1716 O HOH A 572 13.933 15.698 18.286
+HETATM 1717 H HOH A 573 27.085 38.664 11.136
+HETATM 1718 H HOH A 573 28.296 37.989 10.274
+HETATM 1719 O HOH A 573 27.345 37.887 10.562
+HETATM 1720 H HOH A 574 19.179 35.241 31.849
+HETATM 1721 H HOH A 574 17.684 34.587 31.899
+HETATM 1722 O HOH A 574 18.660 34.387 31.828
+HETATM 1723 H HOH A 575 18.664 5.447 25.911
+HETATM 1724 H HOH A 575 19.116 5.094 27.440
+HETATM 1725 O HOH A 575 18.946 4.715 26.531
+HETATM 1726 H HOH A 576 20.209 32.793 30.950
+HETATM 1727 H HOH A 576 21.348 31.688 30.565
+HETATM 1728 O HOH A 576 21.190 32.637 30.837
+HETATM 1729 H HOH A 577 22.765 2.490 19.885
+HETATM 1730 H HOH A 577 22.717 3.305 21.299
+HETATM 1731 O HOH A 577 23.242 3.152 20.463
+HETATM 1732 H HOH A 578 12.792 10.755 30.850
+HETATM 1733 H HOH A 578 12.134 12.249 30.831
+HETATM 1734 O HOH A 578 12.314 11.430 30.288
+HETATM 1735 H HOH A 579 17.016 13.631 2.577
+HETATM 1736 H HOH A 579 16.295 12.978 1.265
+HETATM 1737 O HOH A 579 16.709 12.778 2.153
+HETATM 1738 H HOH A 580 10.194 7.925 17.247
+HETATM 1739 H HOH A 580 11.157 6.737 17.820
+HETATM 1740 O HOH A 580 10.465 7.416 18.064
+HETATM 1741 H HOH A 581 19.509 16.915 27.141
+HETATM 1742 H HOH A 581 20.984 17.022 27.834
+HETATM 1743 O HOH A 581 20.113 17.490 27.695
+HETATM 1744 H HOH A 582 16.306 0.002 2.621
+HETATM 1745 H HOH A 582 17.895 0.004 2.994
+HETATM 1746 O HOH A 582 16.995 0.349 3.257
+HETATM 1747 H HOH A 583 26.310 35.089 3.132
+HETATM 1748 H HOH A 583 24.762 35.604 3.202
+HETATM 1749 O HOH A 583 25.717 35.894 3.152
+HETATM 1750 H HOH A 584 10.185 12.258 13.157
+HETATM 1751 H HOH A 584 9.540 13.411 14.117
+HETATM 1752 O HOH A 584 10.334 12.822 13.969
+HETATM 1753 H HOH A 585 2.838 2.917 10.457
+HETATM 1754 H HOH A 585 4.047 2.330 11.384
+HETATM 1755 O HOH A 585 3.221 2.093 10.875
+HETATM 1756 H HOH A 586 30.067 21.114 31.859
+HETATM 1757 H HOH A 586 30.372 21.697 30.365
+HETATM 1758 O HOH A 586 30.571 20.960 31.009
+HETATM 1759 H HOH A 587 7.352 20.868 15.684
+HETATM 1760 H HOH A 587 6.280 19.636 15.691
+HETATM 1761 O HOH A 587 7.248 19.875 15.757
+HETATM 1762 H HOH A 588 19.091 11.456 8.683
+HETATM 1763 H HOH A 588 18.673 13.035 8.668
+HETATM 1764 O HOH A 588 19.440 12.393 8.681
+HETATM 1765 H HOH A 589 38.565 36.646 14.868
+HETATM 1766 H HOH A 589 36.942 36.571 15.026
+HETATM 1767 O HOH A 589 37.788 36.903 15.442
+HETATM 1768 H HOH A 590 27.065 21.632 4.574
+HETATM 1769 H HOH A 590 26.152 21.674 3.220
+HETATM 1770 O HOH A 590 26.226 21.298 4.144
+HETATM 1771 H HOH A 591 10.032 20.424 12.072
+HETATM 1772 H HOH A 591 10.718 19.538 10.885
+HETATM 1773 O HOH A 591 10.315 20.423 11.113
+HETATM 1774 H HOH A 592 1.354 14.531 12.606
+HETATM 1775 H HOH A 592 0.044 15.506 12.628
+HETATM 1776 O HOH A 592 1.043 15.482 12.612
+HETATM 1777 H HOH A 593 25.633 22.776 13.342
+HETATM 1778 H HOH A 593 27.115 23.460 13.313
+HETATM 1779 O HOH A 593 26.616 22.596 13.365
+HETATM 1780 H HOH A 594 24.378 13.761 11.045
+HETATM 1781 H HOH A 594 25.737 14.603 10.709
+HETATM 1782 O HOH A 594 24.746 14.665 10.825
+HETATM 1783 H HOH A 595 13.705 6.183 4.045
+HETATM 1784 H HOH A 595 13.107 5.786 2.578
+HETATM 1785 O HOH A 595 13.087 6.465 3.311
+HETATM 1786 H HOH A 596 36.205 13.769 13.323
+HETATM 1787 H HOH A 596 34.969 13.849 14.387
+HETATM 1788 O HOH A 596 35.385 14.278 13.586
+HETATM 1789 H HOH A 597 35.508 22.763 24.694
+HETATM 1790 H HOH A 597 35.222 21.181 24.408
+HETATM 1791 O HOH A 597 35.931 21.880 24.489
+HETATM 1792 H HOH A 598 22.344 11.629 35.390
+HETATM 1793 H HOH A 598 22.871 12.991 36.121
+HETATM 1794 O HOH A 598 22.949 11.995 36.097
+HETATM 1795 H HOH A 599 21.873 30.134 17.753
+HETATM 1796 H HOH A 599 21.618 31.689 18.182
+HETATM 1797 O HOH A 599 21.231 30.900 17.706
+HETATM 1798 H HOH A 600 40.003 22.087 10.919
+HETATM 1799 H HOH A 600 39.907 23.631 10.395
+HETATM 1800 O HOH A 600 39.624 22.993 11.110
+HETATM 1801 H HOH A 601 38.932 31.129 9.310
+HETATM 1802 H HOH A 601 39.752 30.605 7.999
+HETATM 1803 O HOH A 601 39.289 30.322 8.838
+HETATM 1804 H HOH A 602 33.202 11.390 31.164
+HETATM 1805 H HOH A 602 33.638 10.016 30.397
+HETATM 1806 O HOH A 602 32.999 10.784 30.394
+HETATM 1807 H HOH A 603 6.177 28.580 21.131
+HETATM 1808 H HOH A 603 6.419 27.490 22.322
+HETATM 1809 O HOH A 603 5.829 27.745 21.557
+HETATM 1810 H HOH A 604 1.038 1.804 28.510
+HETATM 1811 H HOH A 604 1.980 0.519 28.152
+HETATM 1812 O HOH A 604 1.129 0.811 28.588
+HETATM 1813 H HOH A 605 3.088 8.958 40.000
+HETATM 1814 H HOH A 605 3.702 10.468 39.909
+HETATM 1815 O HOH A 605 3.731 9.551 39.514
+HETATM 1816 H HOH A 606 15.248 4.804 33.822
+HETATM 1817 H HOH A 606 16.126 4.789 35.199
+HETATM 1818 O HOH A 606 15.225 4.616 34.804
+HETATM 1819 H HOH A 607 30.602 21.840 0.909
+HETATM 1820 H HOH A 607 31.694 22.492 1.934
+HETATM 1821 O HOH A 607 30.972 21.807 1.838
+HETATM 1822 H HOH A 608 29.273 23.272 1.919
+HETATM 1823 H HOH A 608 28.230 22.629 2.998
+HETATM 1824 O HOH A 608 28.876 22.422 2.265
+HETATM 1825 H HOH A 609 32.162 20.325 17.394
+HETATM 1826 H HOH A 609 33.638 19.625 17.371
+HETATM 1827 O HOH A 609 33.143 20.481 17.519
+HETATM 1828 H HOH A 610 38.986 4.745 28.944
+HETATM 1829 H HOH A 610 37.706 5.402 29.717
+HETATM 1830 O HOH A 610 38.516 5.600 29.168
+HETATM 1831 H HOH A 611 13.454 25.231 4.271
+HETATM 1832 H HOH A 611 12.110 24.307 4.344
+HETATM 1833 O HOH A 611 12.457 25.244 4.346
+HETATM 1834 H HOH A 612 30.534 23.691 21.823
+HETATM 1835 H HOH A 612 29.996 25.131 22.372
+HETATM 1836 O HOH A 612 29.746 24.180 22.198
+HETATM 1837 H HOH A 613 34.330 15.135 32.302
+HETATM 1838 H HOH A 613 33.661 13.769 31.708
+HETATM 1839 O HOH A 613 33.654 14.767 31.663
+HETATM 1840 H HOH A 614 28.398 29.475 12.795
+HETATM 1841 H HOH A 614 27.018 29.553 13.665
+HETATM 1842 O HOH A 614 27.414 29.295 12.785
+HETATM 1843 H HOH A 615 23.332 35.800 38.114
+HETATM 1844 H HOH A 615 24.555 35.069 38.911
+HETATM 1845 O HOH A 615 23.582 35.296 38.940
+HETATM 1846 H HOH A 616 26.273 15.711 35.541
+HETATM 1847 H HOH A 616 25.939 14.196 35.030
+HETATM 1848 O HOH A 616 25.560 15.108 35.183
+HETATM 1849 H HOH A 617 35.395 17.439 2.510
+HETATM 1850 H HOH A 617 35.047 18.681 1.508
+HETATM 1851 O HOH A 617 34.814 18.242 2.375
+HETATM 1852 H HOH A 618 36.828 2.111 21.060
+HETATM 1853 H HOH A 618 37.914 2.178 19.843
+HETATM 1854 O HOH A 618 37.446 2.708 20.549
+HETATM 1855 H HOH A 619 22.077 8.098 37.970
+HETATM 1856 H HOH A 619 21.712 9.277 39.039
+HETATM 1857 O HOH A 619 22.043 9.087 38.116
+HETATM 1858 H HOH A 620 34.450 7.632 31.321
+HETATM 1859 H HOH A 620 35.895 7.249 31.980
+HETATM 1860 O HOH A 620 35.008 7.677 32.150
+HETATM 1861 H HOH A 621 4.137 27.679 23.958
+HETATM 1862 H HOH A 621 4.049 29.226 23.444
+HETATM 1863 O HOH A 621 4.536 28.359 23.343
+HETATM 1864 H HOH A 622 13.441 14.616 33.889
+HETATM 1865 H HOH A 622 14.520 15.841 33.908
+HETATM 1866 O HOH A 622 13.895 15.313 33.334
+HETATM 1867 H HOH A 623 18.528 31.602 -0.000
+HETATM 1868 H HOH A 623 16.937 31.526 0.359
+HETATM 1869 O HOH A 623 17.690 32.135 0.112
+HETATM 1870 H HOH A 624 5.478 16.073 15.182
+HETATM 1871 H HOH A 624 5.623 15.941 13.560
+HETATM 1872 O HOH A 624 5.039 15.742 14.346
+HETATM 1873 H HOH A 625 13.832 30.832 28.328
+HETATM 1874 H HOH A 625 13.646 29.570 29.346
+HETATM 1875 O HOH A 625 14.298 30.230 28.976
+HETATM 1876 H HOH A 626 18.065 19.186 16.671
+HETATM 1877 H HOH A 626 19.386 18.760 17.532
+HETATM 1878 O HOH A 626 18.735 19.496 17.345
+HETATM 1879 H HOH A 627 8.865 7.888 27.623
+HETATM 1880 H HOH A 627 9.438 9.404 27.820
+HETATM 1881 O HOH A 627 8.634 8.818 27.909
+HETATM 1882 H HOH A 628 4.443 32.163 9.518
+HETATM 1883 H HOH A 628 3.145 33.048 9.964
+HETATM 1884 O HOH A 628 4.133 33.067 9.813
+HETATM 1885 H HOH A 629 40.001 8.533 35.553
+HETATM 1886 H HOH A 629 38.526 8.989 36.085
+HETATM 1887 O HOH A 629 39.104 8.207 35.854
+HETATM 1888 H HOH A 630 35.825 13.125 39.315
+HETATM 1889 H HOH A 630 36.879 12.737 38.129
+HETATM 1890 O HOH A 630 35.919 12.720 38.405
+HETATM 1891 H HOH A 631 39.006 1.294 15.889
+HETATM 1892 H HOH A 631 39.845 1.113 14.499
+HETATM 1893 O HOH A 631 39.918 1.184 15.493
+HETATM 1894 H HOH A 632 32.788 25.267 4.302
+HETATM 1895 H HOH A 632 31.674 26.424 4.006
+HETATM 1896 O HOH A 632 32.518 26.210 4.497
+HETATM 1897 H HOH A 633 -0.001 33.525 11.093
+HETATM 1898 H HOH A 633 0.011 35.157 11.056
+HETATM 1899 O HOH A 633 0.442 34.330 10.698
+HETATM 1900 H HOH A 634 20.799 0.878 23.456
+HETATM 1901 H HOH A 634 21.910 1.882 24.108
+HETATM 1902 O HOH A 634 21.213 1.787 23.398
+HETATM 1903 H HOH A 635 39.581 28.988 4.936
+HETATM 1904 H HOH A 635 39.294 27.381 4.924
+HETATM 1905 O HOH A 635 40.005 28.083 4.929
+HETATM 1906 H HOH A 636 34.189 22.363 40.000
+HETATM 1907 H HOH A 636 35.166 21.221 39.361
+HETATM 1908 O HOH A 636 35.083 22.191 39.586
+HETATM 1909 H HOH A 637 40.001 9.897 38.644
+HETATM 1910 H HOH A 637 39.473 9.161 40.003
+HETATM 1911 O HOH A 637 39.191 9.627 39.166
+HETATM 1912 H HOH A 638 17.058 7.879 34.226
+HETATM 1913 H HOH A 638 16.973 9.509 34.184
+HETATM 1914 O HOH A 638 17.591 8.724 34.187
+HETATM 1915 H HOH A 639 12.578 3.125 24.254
+HETATM 1916 H HOH A 639 11.638 1.854 24.664
+HETATM 1917 O HOH A 639 12.380 2.162 24.070
+HETATM 1918 H HOH A 640 34.968 37.771 34.713
+HETATM 1919 H HOH A 640 33.888 38.293 35.821
+HETATM 1920 O HOH A 640 34.351 38.517 34.964
+HETATM 1921 H HOH A 641 31.714 35.958 16.993
+HETATM 1922 H HOH A 641 33.299 35.652 16.748
+HETATM 1923 O HOH A 641 32.635 36.072 17.366
+HETATM 1924 H HOH A 642 26.972 14.786 29.186
+HETATM 1925 H HOH A 642 25.615 14.215 28.479
+HETATM 1926 O HOH A 642 26.567 14.478 28.325
+HETATM 1927 H HOH A 643 12.551 20.716 17.706
+HETATM 1928 H HOH A 643 13.136 19.345 17.040
+HETATM 1929 O HOH A 643 13.247 20.003 17.785
+HETATM 1930 H HOH A 644 6.400 40.000 10.257
+HETATM 1931 H HOH A 644 5.623 38.789 11.030
+HETATM 1932 O HOH A 644 6.519 39.156 10.780
+HETATM 1933 H HOH A 645 18.886 30.121 2.146
+HETATM 1934 H HOH A 645 18.112 28.874 1.430
+HETATM 1935 O HOH A 645 18.305 29.323 2.302
+HETATM 1936 H HOH A 646 31.045 27.580 11.588
+HETATM 1937 H HOH A 646 30.462 28.962 12.234
+HETATM 1938 O HOH A 646 31.285 28.416 12.082
+HETATM 1939 H HOH A 647 9.915 12.370 10.567
+HETATM 1940 H HOH A 647 8.484 12.803 9.910
+HETATM 1941 O HOH A 647 9.184 12.090 9.944
+HETATM 1942 H HOH A 648 7.163 21.878 33.533
+HETATM 1943 H HOH A 648 5.967 20.805 33.825
+HETATM 1944 O HOH A 648 6.951 20.913 33.687
+HETATM 1945 H HOH A 649 39.764 29.821 20.729
+HETATM 1946 H HOH A 649 39.258 28.774 19.582
+HETATM 1947 O HOH A 649 39.162 29.702 19.939
+HETATM 1948 H HOH A 650 35.230 13.130 25.201
+HETATM 1949 H HOH A 650 34.688 12.261 23.929
+HETATM 1950 O HOH A 650 34.972 13.169 24.235
+HETATM 1951 H HOH A 651 1.514 6.059 33.196
+HETATM 1952 H HOH A 651 0.750 7.467 32.877
+HETATM 1953 O HOH A 651 0.625 6.516 33.159
+HETATM 1954 H HOH A 652 6.025 21.412 10.630
+HETATM 1955 H HOH A 652 6.574 22.400 11.808
+HETATM 1956 O HOH A 652 5.902 21.696 11.581
+HETATM 1957 H HOH A 653 32.248 7.562 37.216
+HETATM 1958 H HOH A 653 33.542 7.674 36.226
+HETATM 1959 O HOH A 653 33.053 8.108 36.983
+HETATM 1960 H HOH A 654 15.461 27.162 1.507
+HETATM 1961 H HOH A 654 15.800 27.893 0.087
+HETATM 1962 O HOH A 654 15.135 27.330 0.577
+HETATM 1963 H HOH A 655 18.833 20.536 30.569
+HETATM 1964 H HOH A 655 17.272 20.994 30.711
+HETATM 1965 O HOH A 655 18.198 21.306 30.504
+HETATM 1966 H HOH A 656 18.832 20.293 4.830
+HETATM 1967 H HOH A 656 19.546 21.711 5.211
+HETATM 1968 O HOH A 656 19.699 20.791 4.852
+HETATM 1969 H HOH A 657 20.725 35.097 29.944
+HETATM 1970 H HOH A 657 19.563 35.375 28.831
+HETATM 1971 O HOH A 657 20.498 35.596 29.108
+HETATM 1972 H HOH A 658 2.283 26.952 22.742
+HETATM 1973 H HOH A 658 2.253 28.542 22.373
+HETATM 1974 O HOH A 658 1.771 27.805 22.845
+HETATM 1975 H HOH A 659 23.258 36.902 31.762
+HETATM 1976 H HOH A 659 23.609 38.394 32.327
+HETATM 1977 O HOH A 659 23.985 37.578 31.890
+HETATM 1978 H HOH A 660 31.784 24.856 26.305
+HETATM 1979 H HOH A 660 32.489 23.393 26.133
+HETATM 1980 O HOH A 660 31.620 23.870 26.257
+HETATM 1981 H HOH A 661 39.713 28.186 7.424
+HETATM 1982 H HOH A 661 38.258 28.201 6.683
+HETATM 1983 O HOH A 661 38.981 28.770 7.072
+HETATM 1984 H HOH A 662 23.226 27.682 35.070
+HETATM 1985 H HOH A 662 23.456 28.654 36.362
+HETATM 1986 O HOH A 662 23.468 27.708 36.040
+HETATM 1987 H HOH A 663 5.728 9.582 7.055
+HETATM 1988 H HOH A 663 4.873 10.915 6.655
+HETATM 1989 O HOH A 663 5.774 10.484 6.624
+HETATM 1990 H HOH A 664 20.514 39.885 13.788
+HETATM 1991 H HOH A 664 20.971 39.487 15.305
+HETATM 1992 O HOH A 664 20.328 40.025 14.761
+HETATM 1993 H HOH A 665 21.939 4.056 38.498
+HETATM 1994 H HOH A 665 20.813 5.239 38.524
+HETATM 1995 O HOH A 665 21.104 4.380 38.944
+HETATM 1996 H HOH A 666 29.497 8.268 9.786
+HETATM 1997 H HOH A 666 29.375 9.597 8.844
+HETATM 1998 O HOH A 666 28.996 8.691 9.030
+HETATM 1999 H HOH A 667 1.511 39.151 16.572
+HETATM 2000 H HOH A 667 2.250 39.956 15.358
+HETATM 2001 O HOH A 667 1.524 40.000 16.043
+HETATM 2002 H HOH A 668 35.803 27.393 39.420
+HETATM 2003 H HOH A 668 35.355 27.000 37.899
+HETATM 2004 O HOH A 668 35.469 27.752 38.548
+HETATM 2005 H HOH A 669 8.906 35.405 30.477
+HETATM 2006 H HOH A 669 8.529 36.785 31.266
+HETATM 2007 O HOH A 669 8.189 35.890 30.979
+HETATM 2008 H HOH A 670 16.130 37.248 30.753
+HETATM 2009 H HOH A 670 15.559 36.650 32.162
+HETATM 2010 O HOH A 670 16.275 36.565 31.470
+HETATM 2011 H HOH A 671 25.698 31.957 35.581
+HETATM 2012 H HOH A 671 25.218 33.505 35.785
+HETATM 2013 O HOH A 671 25.735 32.881 35.200
+HETATM 2014 H HOH A 672 36.267 15.083 1.886
+HETATM 2015 H HOH A 672 36.290 15.579 3.442
+HETATM 2016 O HOH A 672 35.984 14.860 2.819
+HETATM 2017 H HOH A 673 35.524 36.227 24.401
+HETATM 2018 H HOH A 673 34.599 35.834 23.114
+HETATM 2019 O HOH A 673 35.424 36.314 23.409
+HETATM 2020 H HOH A 674 28.312 4.040 12.333
+HETATM 2021 H HOH A 674 29.862 4.554 12.339
+HETATM 2022 O HOH A 674 29.269 3.750 12.331
+HETATM 2023 H HOH A 675 1.614 15.054 27.848
+HETATM 2024 H HOH A 675 1.305 14.911 26.250
+HETATM 2025 O HOH A 675 1.713 15.492 26.954
+HETATM 2026 H HOH A 676 18.427 15.741 18.926
+HETATM 2027 H HOH A 676 18.992 16.387 17.537
+HETATM 2028 O HOH A 676 19.249 15.946 18.396
+HETATM 2029 H HOH A 677 27.841 9.336 23.362
+HETATM 2030 H HOH A 677 28.414 9.521 24.880
+HETATM 2031 O HOH A 677 27.591 9.521 24.313
+HETATM 2032 H HOH A 678 36.869 34.198 39.998
+HETATM 2033 H HOH A 678 38.450 33.909 39.713
+HETATM 2034 O HOH A 678 37.781 34.607 39.962
+HETATM 2035 H HOH A 679 39.237 33.087 3.087
+HETATM 2036 H HOH A 679 40.000 34.403 3.681
+HETATM 2037 O HOH A 679 39.706 33.469 3.883
+HETATM 2038 H HOH A 680 14.613 10.783 7.907
+HETATM 2039 H HOH A 680 15.172 10.200 6.487
+HETATM 2040 O HOH A 680 14.563 10.870 6.911
+HETATM 2041 H HOH A 681 17.068 20.817 39.016
+HETATM 2042 H HOH A 681 17.530 22.195 38.271
+HETATM 2043 O HOH A 681 17.751 21.230 38.413
+HETATM 2044 H HOH A 682 1.166 28.410 37.945
+HETATM 2045 H HOH A 682 0.066 28.934 36.859
+HETATM 2046 O HOH A 682 0.192 28.449 37.723
+HETATM 2047 H HOH A 683 13.897 1.002 17.012
+HETATM 2048 H HOH A 683 15.337 1.712 16.712
+HETATM 2049 O HOH A 683 14.350 1.773 16.564
+HETATM 2050 H HOH A 684 0.105 34.684 25.329
+HETATM 2051 H HOH A 684 0.106 33.732 24.003
+HETATM 2052 O HOH A 684 -0.010 33.749 24.995
+HETATM 2053 H HOH A 685 12.959 14.276 28.466
+HETATM 2054 H HOH A 685 14.375 14.979 28.874
+HETATM 2055 O HOH A 685 13.410 15.144 28.674
+HETATM 2056 H HOH A 686 17.496 22.471 25.906
+HETATM 2057 H HOH A 686 18.159 21.250 25.048
+HETATM 2058 O HOH A 686 18.293 21.873 25.817
+HETATM 2059 H HOH A 687 18.246 37.029 1.368
+HETATM 2060 H HOH A 687 19.185 37.162 0.038
+HETATM 2061 O HOH A 687 19.162 37.253 1.033
+HETATM 2062 H HOH A 688 30.667 38.349 35.335
+HETATM 2063 H HOH A 688 30.352 39.851 35.894
+HETATM 2064 O HOH A 688 29.969 38.941 35.738
+HETATM 2065 H HOH A 689 25.558 27.555 38.460
+HETATM 2066 H HOH A 689 25.539 27.767 36.841
+HETATM 2067 O HOH A 689 25.020 27.431 37.626
+HETATM 2068 H HOH A 690 32.601 2.017 20.891
+HETATM 2069 H HOH A 690 33.689 1.592 19.750
+HETATM 2070 O HOH A 690 33.557 2.090 20.606
+HETATM 2071 H HOH A 691 38.741 24.418 29.617
+HETATM 2072 H HOH A 691 39.382 23.060 28.977
+HETATM 2073 O HOH A 691 38.540 23.492 29.298
+HETATM 2074 H HOH A 692 10.462 37.942 24.566
+HETATM 2075 H HOH A 692 10.628 39.498 24.097
+HETATM 2076 O HOH A 692 10.137 38.877 24.708
+HETATM 2077 H HOH A 693 8.783 38.267 1.960
+HETATM 2078 H HOH A 693 7.928 39.646 1.775
+HETATM 2079 O HOH A 693 8.846 39.253 1.803
+HETATM 2080 H HOH A 694 3.600 7.620 1.877
+HETATM 2081 H HOH A 694 4.188 9.143 1.883
+HETATM 2082 O HOH A 694 3.926 8.372 1.304
+HETATM 2083 H HOH A 695 26.450 2.171 23.217
+HETATM 2084 H HOH A 695 27.147 0.748 23.611
+HETATM 2085 O HOH A 695 26.300 1.277 23.641
+HETATM 2086 H HOH A 696 22.906 18.712 34.734
+HETATM 2087 H HOH A 696 22.612 17.449 33.741
+HETATM 2088 O HOH A 696 23.325 17.971 34.208
+HETATM 2089 H HOH A 697 12.987 23.024 11.347
+HETATM 2090 H HOH A 697 13.328 24.586 11.016
+HETATM 2091 O HOH A 697 13.320 23.657 10.648
+HETATM 2092 H HOH A 698 37.165 33.022 38.162
+HETATM 2093 H HOH A 698 36.042 32.349 39.139
+HETATM 2094 O HOH A 698 36.868 32.175 38.604
+HETATM 2095 H HOH A 699 1.239 36.933 24.079
+HETATM 2096 H HOH A 699 2.705 36.290 23.753
+HETATM 2097 O HOH A 699 1.725 36.102 23.806
+HETATM 2098 H HOH A 700 27.007 39.017 8.075
+HETATM 2099 H HOH A 700 25.601 38.304 7.650
+HETATM 2100 O HOH A 700 26.415 38.772 7.307
+HETATM 2101 H HOH A 701 16.897 3.204 7.524
+HETATM 2102 H HOH A 701 18.178 2.720 8.414
+HETATM 2103 O HOH A 701 17.496 2.433 7.742
+HETATM 2104 H HOH A 702 22.442 9.262 10.979
+HETATM 2105 H HOH A 702 21.405 10.390 11.544
+HETATM 2106 O HOH A 702 22.299 9.964 11.677
+HETATM 2107 H HOH A 703 29.968 8.721 21.773
+HETATM 2108 H HOH A 703 30.265 7.553 22.876
+HETATM 2109 O HOH A 703 29.573 7.950 22.274
+HETATM 2110 H HOH A 704 7.965 14.841 28.777
+HETATM 2111 H HOH A 704 9.514 14.373 28.994
+HETATM 2112 O HOH A 704 8.588 14.059 28.789
+HETATM 2113 H HOH A 705 31.351 29.054 21.261
+HETATM 2114 H HOH A 705 32.927 29.473 21.345
+HETATM 2115 O HOH A 705 31.990 29.821 21.308
+HETATM 2116 H HOH A 706 14.008 24.979 16.855
+HETATM 2117 H HOH A 706 13.524 23.479 17.284
+HETATM 2118 O HOH A 706 13.436 24.454 17.485
+HETATM 2119 H HOH A 707 30.819 37.555 1.929
+HETATM 2120 H HOH A 707 31.085 39.094 2.405
+HETATM 2121 O HOH A 707 31.471 38.173 2.369
+HETATM 2122 H HOH A 708 16.063 2.823 27.076
+HETATM 2123 H HOH A 708 14.456 3.113 27.100
+HETATM 2124 O HOH A 708 15.157 2.401 27.115
+HETATM 2125 H HOH A 709 18.515 27.640 3.704
+HETATM 2126 H HOH A 709 18.307 26.021 3.704
+HETATM 2127 O HOH A 709 18.983 26.756 3.704
+HETATM 2128 H HOH A 710 35.753 5.386 35.802
+HETATM 2129 H HOH A 710 34.750 5.019 34.566
+HETATM 2130 O HOH A 710 34.908 5.643 35.331
+HETATM 2131 H HOH A 711 36.337 25.941 1.224
+HETATM 2132 H HOH A 711 34.742 25.660 1.017
+HETATM 2133 O HOH A 711 35.662 25.361 0.768
+HETATM 2134 H HOH A 712 38.401 9.594 33.685
+HETATM 2135 H HOH A 712 40.005 9.878 33.802
+HETATM 2136 O HOH A 712 39.312 9.202 33.553
+HETATM 2137 H HOH A 713 4.045 5.271 6.202
+HETATM 2138 H HOH A 713 3.332 4.784 4.816
+HETATM 2139 O HOH A 713 3.832 4.481 5.627
+HETATM 2140 H HOH A 714 13.452 14.495 11.546
+HETATM 2141 H HOH A 714 12.611 15.889 11.421
+HETATM 2142 O HOH A 714 12.587 14.904 11.255
+HETATM 2143 H HOH A 715 3.730 19.822 17.018
+HETATM 2144 H HOH A 715 3.586 20.715 15.658
+HETATM 2145 O HOH A 715 4.183 20.098 16.170
+HETATM 2146 H HOH A 716 27.459 0.000 14.528
+HETATM 2147 H HOH A 716 26.382 0.597 13.456
+HETATM 2148 O HOH A 716 27.312 0.683 13.812
+HETATM 2149 H HOH A 717 10.738 4.091 20.766
+HETATM 2150 H HOH A 717 9.212 4.602 20.491
+HETATM 2151 O HOH A 717 10.179 4.796 20.329
+HETATM 2152 H HOH A 718 16.977 21.507 16.387
+HETATM 2153 H HOH A 718 18.284 22.470 16.206
+HETATM 2154 O HOH A 718 17.967 21.523 16.245
+HETATM 2155 H HOH A 719 24.595 37.027 10.041
+HETATM 2156 H HOH A 719 25.243 38.508 9.811
+HETATM 2157 O HOH A 719 25.152 37.748 10.454
+HETATM 2158 H HOH A 720 28.383 35.539 26.926
+HETATM 2159 H HOH A 720 26.859 36.078 27.161
+HETATM 2160 O HOH A 720 27.422 35.270 26.991
+HETATM 2161 H HOH A 721 8.514 26.428 6.538
+HETATM 2162 H HOH A 721 7.808 25.742 5.235
+HETATM 2163 O HOH A 721 8.072 26.608 5.659
+HETATM 2164 H HOH A 722 21.812 26.695 25.633
+HETATM 2165 H HOH A 722 21.405 28.276 25.677
+HETATM 2166 O HOH A 722 21.239 27.403 25.219
+HETATM 2167 H HOH A 723 39.563 24.481 22.570
+HETATM 2168 H HOH A 723 37.989 24.048 22.519
+HETATM 2169 O HOH A 723 38.929 23.708 22.533
+HETATM 2170 H HOH A 724 32.991 0.000 29.556
+HETATM 2171 H HOH A 724 31.858 0.550 28.516
+HETATM 2172 O HOH A 724 32.055 0.344 29.474
+HETATM 2173 H HOH A 725 25.536 18.161 13.465
+HETATM 2174 H HOH A 725 25.859 19.670 12.930
+HETATM 2175 O HOH A 725 26.189 18.727 12.962
+HETATM 2176 H HOH A 726 10.813 35.848 32.014
+HETATM 2177 H HOH A 726 11.530 34.575 31.285
+HETATM 2178 O HOH A 726 11.674 35.494 31.650
+HETATM 2179 H HOH A 727 13.157 25.908 32.379
+HETATM 2180 H HOH A 727 14.410 26.883 32.760
+HETATM 2181 O HOH A 727 14.123 25.934 32.634
+HETATM 2182 H HOH A 728 9.735 9.656 31.325
+HETATM 2183 H HOH A 728 8.740 8.428 31.734
+HETATM 2184 O HOH A 728 8.781 9.389 31.461
+HETATM 2185 H HOH A 729 25.336 28.156 20.464
+HETATM 2186 H HOH A 729 25.193 26.607 19.969
+HETATM 2187 O HOH A 729 24.690 27.438 20.202
+HETATM 2188 H HOH A 730 34.574 24.013 3.583
+HETATM 2189 H HOH A 730 34.144 23.111 2.292
+HETATM 2190 O HOH A 730 34.915 23.494 2.799
+HETATM 2191 H HOH A 731 24.058 7.569 35.317
+HETATM 2192 H HOH A 731 25.520 8.269 35.116
+HETATM 2193 O HOH A 731 24.540 8.439 35.216
+HETATM 2194 H HOH A 732 12.387 20.280 27.917
+HETATM 2195 H HOH A 732 10.799 19.920 28.041
+HETATM 2196 O HOH A 732 11.685 19.599 27.707
+HETATM 2197 H HOH A 733 38.332 18.566 8.196
+HETATM 2198 H HOH A 733 37.751 19.773 7.263
+HETATM 2199 O HOH A 733 38.412 19.537 7.974
+HETATM 2200 H HOH A 734 17.975 13.113 11.909
+HETATM 2201 H HOH A 734 18.029 13.423 13.512
+HETATM 2202 O HOH A 734 18.577 13.226 12.700
+HETATM 2203 H HOH A 735 11.081 21.087 0.481
+HETATM 2204 H HOH A 735 11.289 19.730 1.364
+HETATM 2205 O HOH A 735 11.589 20.229 0.551
+HETATM 2206 H HOH A 736 39.379 19.282 22.706
+HETATM 2207 H HOH A 736 39.952 20.771 23.051
+HETATM 2208 O HOH A 736 39.869 20.074 22.341
+HETATM 2209 H HOH A 737 6.474 0.001 24.775
+HETATM 2210 H HOH A 737 6.845 1.454 24.129
+HETATM 2211 O HOH A 737 6.719 0.483 23.933
+HETATM 2212 H HOH A 738 27.406 5.595 5.139
+HETATM 2213 H HOH A 738 28.420 6.872 5.232
+HETATM 2214 O HOH A 738 27.463 6.593 5.156
+HETATM 2215 H HOH A 739 23.270 21.720 33.274
+HETATM 2216 H HOH A 739 22.276 20.452 33.545
+HETATM 2217 O HOH A 739 22.602 21.326 33.905
+HETATM 2218 H HOH A 740 31.115 24.198 3.205
+HETATM 2219 H HOH A 740 29.729 24.592 3.973
+HETATM 2220 O HOH A 740 30.366 23.849 3.769
+HETATM 2221 H HOH A 741 29.029 13.647 33.320
+HETATM 2222 H HOH A 741 29.362 13.656 31.722
+HETATM 2223 O HOH A 741 28.970 14.181 32.477
+HETATM 2224 H HOH A 742 28.973 10.901 17.873
+HETATM 2225 H HOH A 742 30.215 9.986 18.411
+HETATM 2226 O HOH A 742 29.550 10.108 17.674
+HETATM 2227 H HOH A 743 34.150 23.042 35.983
+HETATM 2228 H HOH A 743 34.605 21.538 36.427
+HETATM 2229 O HOH A 743 33.835 22.106 36.140
+HETATM 2230 H HOH A 744 32.593 18.060 27.503
+HETATM 2231 H HOH A 744 32.762 17.977 25.881
+HETATM 2232 O HOH A 744 32.436 18.540 26.640
+HETATM 2233 H HOH A 745 21.372 14.899 12.564
+HETATM 2234 H HOH A 745 22.957 14.795 12.945
+HETATM 2235 O HOH A 745 22.205 14.355 12.456
+HETATM 2236 H HOH A 746 37.262 24.935 2.948
+HETATM 2237 H HOH A 746 36.551 26.064 3.889
+HETATM 2238 O HOH A 746 36.551 25.098 3.633
+HETATM 2239 H HOH A 747 27.534 9.705 19.746
+HETATM 2240 H HOH A 747 26.738 8.279 19.724
+HETATM 2241 O HOH A 747 27.322 8.879 20.270
+HETATM 2242 H HOH A 748 29.501 28.317 35.226
+HETATM 2243 H HOH A 748 30.698 29.428 35.198
+HETATM 2244 O HOH A 748 30.493 28.450 35.212
+HETATM 2245 H HOH A 749 11.605 7.632 8.961
+HETATM 2246 H HOH A 749 12.934 6.779 9.376
+HETATM 2247 O HOH A 749 12.358 7.072 8.614
+HETATM 2248 H HOH A 750 15.419 7.513 1.429
+HETATM 2249 H HOH A 750 15.599 5.973 1.942
+HETATM 2250 O HOH A 750 14.948 6.722 1.822
+HETATM 2251 H HOH A 751 5.342 21.864 32.001
+HETATM 2252 H HOH A 751 5.857 21.104 30.651
+HETATM 2253 O HOH A 751 6.035 21.250 31.623
+HETATM 2254 H HOH A 752 23.751 34.994 9.711
+HETATM 2255 H HOH A 752 22.230 34.648 9.229
+HETATM 2256 O HOH A 752 23.121 34.259 9.459
+HETATM 2257 H HOH A 753 3.274 33.565 3.382
+HETATM 2258 H HOH A 753 3.932 35.059 3.331
+HETATM 2259 O HOH A 753 3.075 34.544 3.339
+HETATM 2260 H HOH A 754 4.540 36.879 22.192
+HETATM 2261 H HOH A 754 5.630 38.093 22.264
+HETATM 2262 O HOH A 754 5.514 37.103 22.181
+HETATM 2263 H HOH A 755 22.244 23.758 7.552
+HETATM 2264 H HOH A 755 22.462 23.255 6.014
+HETATM 2265 O HOH A 755 22.145 22.987 6.923
+HETATM 2266 H HOH A 756 0.843 30.432 10.687
+HETATM 2267 H HOH A 756 -0.000 30.181 12.063
+HETATM 2268 O HOH A 756 0.060 29.958 11.091
+HETATM 2269 H HOH A 757 10.192 22.993 37.963
+HETATM 2270 H HOH A 757 10.873 24.250 38.751
+HETATM 2271 O HOH A 757 11.044 23.354 38.342
+HETATM 2272 H HOH A 758 36.508 24.295 39.956
+HETATM 2273 H HOH A 758 38.126 24.160 39.777
+HETATM 2274 O HOH A 758 37.265 23.654 39.828
+HETATM 2275 H HOH A 759 30.087 32.161 16.591
+HETATM 2276 H HOH A 759 30.400 30.578 16.846
+HETATM 2277 O HOH A 759 30.808 31.484 16.737
+HETATM 2278 H HOH A 760 24.632 29.260 10.080
+HETATM 2279 H HOH A 760 24.874 28.105 8.952
+HETATM 2280 O HOH A 760 24.726 28.277 9.925
+HETATM 2281 H HOH A 761 18.610 4.253 11.789
+HETATM 2282 H HOH A 761 17.948 2.791 11.487
+HETATM 2283 O HOH A 761 18.149 3.465 12.197
+HETATM 2284 H HOH A 762 32.936 26.120 33.501
+HETATM 2285 H HOH A 762 34.373 26.882 33.649
+HETATM 2286 O HOH A 762 33.383 27.009 33.600
+HETATM 2287 H HOH A 763 25.187 38.255 34.199
+HETATM 2288 H HOH A 763 25.075 38.490 35.811
+HETATM 2289 O HOH A 763 24.938 38.909 34.914
+HETATM 2290 H HOH A 764 0.296 12.211 36.320
+HETATM 2291 H HOH A 764 0.435 12.224 34.693
+HETATM 2292 O HOH A 764 -0.032 12.635 35.476
+HETATM 2293 H HOH A 765 10.715 17.706 26.051
+HETATM 2294 H HOH A 765 11.034 18.852 24.932
+HETATM 2295 O HOH A 765 11.270 18.510 25.841
+HETATM 2296 H HOH A 766 21.359 10.452 6.592
+HETATM 2297 H HOH A 766 22.955 10.743 6.779
+HETATM 2298 O HOH A 766 22.271 10.042 6.580
+HETATM 2299 H HOH A 767 33.114 34.985 3.708
+HETATM 2300 H HOH A 767 34.537 34.814 4.491
+HETATM 2301 O HOH A 767 34.015 35.391 3.863
+HETATM 2302 H HOH A 768 21.284 14.395 19.919
+HETATM 2303 H HOH A 768 21.020 14.901 21.449
+HETATM 2304 O HOH A 768 21.602 15.007 20.644
+HETATM 2305 H HOH A 769 27.813 1.145 21.539
+HETATM 2306 H HOH A 769 28.359 2.642 21.895
+HETATM 2307 O HOH A 769 28.609 1.677 21.826
+HETATM 2308 H HOH A 770 26.352 38.699 5.093
+HETATM 2309 H HOH A 770 27.901 38.299 5.421
+HETATM 2310 O HOH A 770 26.967 37.951 5.343
+HETATM 2311 H HOH A 771 31.856 20.262 8.080
+HETATM 2312 H HOH A 771 30.432 19.865 7.386
+HETATM 2313 O HOH A 771 30.864 20.377 8.128
+HETATM 2314 H HOH A 772 6.395 15.325 17.057
+HETATM 2315 H HOH A 772 6.020 14.052 16.106
+HETATM 2316 O HOH A 772 6.756 14.658 16.404
+HETATM 2317 H HOH A 773 25.658 35.054 5.233
+HETATM 2318 H HOH A 773 27.163 35.657 5.429
+HETATM 2319 O HOH A 773 26.201 35.892 5.298
+HETATM 2320 H HOH A 774 21.004 22.032 18.270
+HETATM 2321 H HOH A 774 22.334 22.810 17.727
+HETATM 2322 O HOH A 774 21.558 22.860 18.355
+HETATM 2323 H HOH A 775 18.127 22.943 33.907
+HETATM 2324 H HOH A 775 17.191 24.074 34.622
+HETATM 2325 O HOH A 775 18.129 23.756 34.488
+HETATM 2326 H HOH A 776 39.987 35.986 6.789
+HETATM 2327 H HOH A 776 40.001 34.637 5.868
+HETATM 2328 O HOH A 776 39.589 35.077 6.666
+HETATM 2329 H HOH A 777 37.162 39.017 17.786
+HETATM 2330 H HOH A 777 38.614 38.863 18.517
+HETATM 2331 O HOH A 777 37.903 38.382 18.004
+HETATM 2332 H HOH A 778 2.495 5.467 14.695
+HETATM 2333 H HOH A 778 1.305 6.586 14.668
+HETATM 2334 O HOH A 778 1.538 5.636 14.459
+HETATM 2335 H HOH A 779 6.172 32.222 32.329
+HETATM 2336 H HOH A 779 5.102 32.818 33.409
+HETATM 2337 O HOH A 779 5.407 31.995 32.932
+HETATM 2338 H HOH A 780 35.811 40.004 35.669
+HETATM 2339 H HOH A 780 37.357 39.586 35.991
+HETATM 2340 O HOH A 780 36.440 39.237 35.799
+HETATM 2341 H HOH A 781 1.755 32.659 6.751
+HETATM 2342 H HOH A 781 3.246 32.763 6.094
+HETATM 2343 O HOH A 781 2.436 33.281 6.365
+HETATM 2344 H HOH A 782 12.637 17.359 31.349
+HETATM 2345 H HOH A 782 14.111 17.787 30.791
+HETATM 2346 O HOH A 782 13.163 17.601 30.534
+HETATM 2347 H HOH A 783 19.776 32.602 21.535
+HETATM 2348 H HOH A 783 19.236 34.136 21.390
+HETATM 2349 O HOH A 783 19.054 33.181 21.156
+HETATM 2350 H HOH A 784 2.702 36.294 21.133
+HETATM 2351 H HOH A 784 2.126 34.776 20.959
+HETATM 2352 O HOH A 784 2.023 35.635 21.459
+HETATM 2353 H HOH A 785 26.997 26.131 37.062
+HETATM 2354 H HOH A 785 27.710 27.597 37.159
+HETATM 2355 O HOH A 785 27.866 26.610 37.188
+HETATM 2356 H HOH A 786 26.633 4.212 6.666
+HETATM 2357 H HOH A 786 25.791 4.225 8.064
+HETATM 2358 O HOH A 786 26.156 4.792 7.326
+HETATM 2359 H HOH A 787 38.934 4.757 8.006
+HETATM 2360 H HOH A 787 38.488 5.174 9.520
+HETATM 2361 O HOH A 787 38.202 4.705 8.685
+HETATM 2362 H HOH A 788 35.019 22.203 14.535
+HETATM 2363 H HOH A 788 35.487 20.661 14.273
+HETATM 2364 O HOH A 788 34.940 21.260 14.857
+HETATM 2365 H HOH A 789 17.200 39.572 35.276
+HETATM 2366 H HOH A 789 17.018 37.951 35.215
+HETATM 2367 O HOH A 789 17.678 38.695 35.311
+HETATM 2368 H HOH A 790 7.960 2.038 19.905
+HETATM 2369 H HOH A 790 6.537 2.838 19.939
+HETATM 2370 O HOH A 790 7.531 2.941 19.924
+HETATM 2371 H HOH A 791 30.825 12.720 3.677
+HETATM 2372 H HOH A 791 31.390 14.208 4.044
+HETATM 2373 O HOH A 791 30.724 13.504 4.290
+HETATM 2374 H HOH A 792 24.808 30.104 0.824
+HETATM 2375 H HOH A 792 24.642 28.701 0.005
+HETATM 2376 O HOH A 792 24.431 29.678 0.002
+HETATM 2377 H HOH A 793 23.064 33.055 12.844
+HETATM 2378 H HOH A 793 23.337 34.206 11.718
+HETATM 2379 O HOH A 793 22.762 33.941 12.491
+HETATM 2380 H HOH A 794 12.621 29.871 38.712
+HETATM 2381 H HOH A 794 12.122 28.318 38.794
+HETATM 2382 O HOH A 794 12.914 28.915 38.672
+HETATM 2383 H HOH A 795 2.483 26.929 25.920
+HETATM 2384 H HOH A 795 0.867 27.110 25.766
+HETATM 2385 O HOH A 795 1.723 27.576 25.988
+HETATM 2386 H HOH A 796 6.489 5.287 28.564
+HETATM 2387 H HOH A 796 7.348 6.673 28.653
+HETATM 2388 O HOH A 796 6.442 6.283 28.489
+HETATM 2389 H HOH A 797 11.792 17.109 16.598
+HETATM 2390 H HOH A 797 10.994 16.016 15.685
+HETATM 2391 O HOH A 797 10.904 16.862 16.209
+HETATM 2392 H HOH A 798 34.072 21.951 4.159
+HETATM 2393 H HOH A 798 32.735 22.869 3.963
+HETATM 2394 O HOH A 798 33.085 21.933 3.999
+HETATM 2395 H HOH A 799 17.852 9.181 31.635
+HETATM 2396 H HOH A 799 17.815 7.607 32.069
+HETATM 2397 O HOH A 799 18.403 8.405 31.942
+HETATM 2398 H HOH A 800 9.223 22.699 35.530
+HETATM 2399 H HOH A 800 8.323 24.061 35.574
+HETATM 2400 O HOH A 800 8.293 23.065 35.495
+HETATM 2401 H HOH A 801 31.329 29.524 9.671
+HETATM 2402 H HOH A 801 29.961 30.366 9.964
+HETATM 2403 O HOH A 801 30.412 29.480 10.068
+HETATM 2404 H HOH A 802 40.001 35.123 10.657
+HETATM 2405 H HOH A 802 39.684 33.635 10.063
+HETATM 2406 O HOH A 802 40.002 34.554 9.834
+HETATM 2407 H HOH A 803 34.735 2.322 15.896
+HETATM 2408 H HOH A 803 35.820 1.665 16.925
+HETATM 2409 O HOH A 803 35.109 2.360 16.823
+HETATM 2410 H HOH A 804 28.959 11.861 30.515
+HETATM 2411 H HOH A 804 30.427 11.203 30.238
+HETATM 2412 O HOH A 804 29.446 11.019 30.283
+HETATM 2413 H HOH A 805 3.637 22.317 14.151
+HETATM 2414 H HOH A 805 5.188 21.805 14.149
+HETATM 2415 O HOH A 805 4.551 22.481 13.780
+HETATM 2416 H HOH A 806 14.360 18.398 13.812
+HETATM 2417 H HOH A 806 13.751 17.515 15.043
+HETATM 2418 O HOH A 806 13.810 17.597 14.049
+HETATM 2419 H HOH A 807 5.221 29.487 10.989
+HETATM 2420 H HOH A 807 6.832 29.634 11.214
+HETATM 2421 O HOH A 807 6.085 28.988 11.060
+HETATM 2422 H HOH A 808 10.908 21.130 31.056
+HETATM 2423 H HOH A 808 12.407 21.424 31.634
+HETATM 2424 O HOH A 808 11.887 21.044 30.870
+HETATM 2425 H HOH A 809 6.616 9.501 28.459
+HETATM 2426 H HOH A 809 5.056 9.656 28.003
+HETATM 2427 O HOH A 809 5.778 9.004 28.235
+HETATM 2428 H HOH A 810 1.381 21.263 22.837
+HETATM 2429 H HOH A 810 1.661 19.709 23.253
+HETATM 2430 O HOH A 810 2.062 20.622 23.192
+HETATM 2431 H HOH A 811 23.810 13.896 15.908
+HETATM 2432 H HOH A 811 22.449 13.944 16.810
+HETATM 2433 O HOH A 811 23.237 13.386 16.551
+HETATM 2434 H HOH A 812 9.406 26.901 14.043
+HETATM 2435 H HOH A 812 10.617 25.810 13.940
+HETATM 2436 O HOH A 812 9.625 25.927 13.975
+HETATM 2437 H HOH A 813 19.441 24.713 25.605
+HETATM 2438 H HOH A 813 18.691 26.142 25.354
+HETATM 2439 O HOH A 813 18.659 25.281 25.861
+HETATM 2440 H HOH A 814 10.877 37.919 11.720
+HETATM 2441 H HOH A 814 10.698 36.763 10.581
+HETATM 2442 O HOH A 814 10.527 37.722 10.804
+HETATM 2443 H HOH A 815 1.407 29.209 20.063
+HETATM 2444 H HOH A 815 0.054 29.974 19.563
+HETATM 2445 O HOH A 815 0.992 30.101 19.882
+HETATM 2446 H HOH A 816 23.735 38.978 27.006
+HETATM 2447 H HOH A 816 22.857 38.598 25.683
+HETATM 2448 O HOH A 816 22.899 39.178 26.495
+HETATM 2449 H HOH A 817 24.768 28.748 33.919
+HETATM 2450 H HOH A 817 25.057 30.355 33.908
+HETATM 2451 O HOH A 817 24.345 29.654 33.915
+HETATM 2452 H HOH A 818 14.006 23.597 15.140
+HETATM 2453 H HOH A 818 15.284 22.761 15.721
+HETATM 2454 O HOH A 818 14.845 23.112 14.894
+HETATM 2455 H HOH A 819 2.281 20.785 10.344
+HETATM 2456 H HOH A 819 2.861 22.310 10.277
+HETATM 2457 O HOH A 819 2.741 21.459 9.766
+HETATM 2458 H HOH A 820 20.529 29.532 12.704
+HETATM 2459 H HOH A 820 20.385 30.088 11.175
+HETATM 2460 O HOH A 820 20.315 29.280 11.760
+HETATM 2461 H HOH A 821 2.852 24.710 30.682
+HETATM 2462 H HOH A 821 2.147 23.283 31.045
+HETATM 2463 O HOH A 821 2.857 23.727 30.499
+HETATM 2464 H HOH A 822 14.669 9.279 12.822
+HETATM 2465 H HOH A 822 15.851 8.486 13.623
+HETATM 2466 O HOH A 822 14.982 8.971 13.720
+HETATM 2467 H HOH A 823 26.758 25.713 9.160
+HETATM 2468 H HOH A 823 26.623 27.164 9.898
+HETATM 2469 O HOH A 823 27.084 26.277 9.920
+HETATM 2470 H HOH A 824 25.328 35.302 28.538
+HETATM 2471 H HOH A 824 26.249 33.970 28.324
+HETATM 2472 O HOH A 824 25.312 34.318 28.362
+HETATM 2473 H HOH A 825 31.493 21.026 13.240
+HETATM 2474 H HOH A 825 30.667 22.385 13.611
+HETATM 2475 O HOH A 825 30.583 21.432 13.322
+HETATM 2476 H HOH A 826 25.421 29.190 31.051
+HETATM 2477 H HOH A 826 24.206 30.279 31.104
+HETATM 2478 O HOH A 826 25.183 30.154 30.934
+HETATM 2479 H HOH A 827 39.912 21.795 7.951
+HETATM 2480 H HOH A 827 38.540 22.663 7.784
+HETATM 2481 O HOH A 827 39.537 22.714 7.829
+HETATM 2482 H HOH A 828 17.431 -0.000 31.849
+HETATM 2483 H HOH A 828 17.806 1.078 30.681
+HETATM 2484 O HOH A 828 18.075 0.713 31.572
+HETATM 2485 H HOH A 829 25.454 19.515 35.946
+HETATM 2486 H HOH A 829 24.874 20.738 35.033
+HETATM 2487 O HOH A 829 24.672 19.835 35.411
+HETATM 2488 H HOH A 830 12.755 23.574 24.161
+HETATM 2489 H HOH A 830 13.736 24.040 25.380
+HETATM 2490 O HOH A 830 13.386 23.256 24.870
+HETATM 2491 H HOH A 831 10.904 25.042 26.924
+HETATM 2492 H HOH A 831 11.668 23.855 26.102
+HETATM 2493 O HOH A 831 11.735 24.487 26.873
+HETATM 2494 H HOH A 832 6.695 23.952 2.491
+HETATM 2495 H HOH A 832 6.552 25.408 3.217
+HETATM 2496 O HOH A 832 6.075 24.561 2.985
+HETATM 2497 H HOH A 833 34.008 16.189 27.194
+HETATM 2498 H HOH A 833 32.968 14.930 27.197
+HETATM 2499 O HOH A 833 33.043 15.927 27.207
+HETATM 2500 H HOH A 834 25.588 12.406 5.391
+HETATM 2501 H HOH A 834 24.633 11.081 5.394
+HETATM 2502 O HOH A 834 24.642 12.080 5.392
+HETATM 2503 H HOH A 835 28.297 15.752 2.314
+HETATM 2504 H HOH A 835 27.602 17.216 2.116
+HETATM 2505 O HOH A 835 28.447 16.740 2.356
+HETATM 2506 H HOH A 836 27.387 35.927 14.648
+HETATM 2507 H HOH A 836 25.777 35.658 14.608
+HETATM 2508 O HOH A 836 26.671 35.294 14.351
+HETATM 2509 H HOH A 837 32.441 5.771 18.638
+HETATM 2510 H HOH A 837 31.125 4.849 18.346
+HETATM 2511 O HOH A 837 31.806 5.105 19.031
+HETATM 2512 H HOH A 838 33.263 27.150 2.653
+HETATM 2513 H HOH A 838 34.481 28.219 2.859
+HETATM 2514 O HOH A 838 34.195 27.271 2.996
+HETATM 2515 H HOH A 839 28.784 28.302 10.974
+HETATM 2516 H HOH A 839 28.820 26.707 11.321
+HETATM 2517 O HOH A 839 28.255 27.531 11.328
+HETATM 2518 H HOH A 840 11.538 36.321 15.985
+HETATM 2519 H HOH A 840 12.693 37.453 15.755
+HETATM 2520 O HOH A 840 11.717 37.302 15.910
+HETATM 2521 H HOH A 841 35.415 8.469 16.813
+HETATM 2522 H HOH A 841 34.512 7.206 17.320
+HETATM 2523 O HOH A 841 34.690 7.828 16.558
+HETATM 2524 H HOH A 842 39.044 18.828 35.780
+HETATM 2525 H HOH A 842 37.470 19.020 36.172
+HETATM 2526 O HOH A 842 38.260 18.412 36.242
+HETATM 2527 H HOH A 843 8.073 31.485 9.390
+HETATM 2528 H HOH A 843 9.311 31.898 8.408
+HETATM 2529 O HOH A 843 9.017 31.277 9.134
+HETATM 2530 H HOH A 844 27.924 20.917 22.960
+HETATM 2531 H HOH A 844 26.741 20.009 22.294
+HETATM 2532 O HOH A 844 27.228 20.880 22.242
+HETATM 2533 H HOH A 845 28.358 20.809 30.384
+HETATM 2534 H HOH A 845 28.781 19.457 31.196
+HETATM 2535 O HOH A 845 28.053 20.125 31.047
+HETATM 2536 H HOH A 846 37.706 32.031 14.081
+HETATM 2537 H HOH A 846 38.695 31.901 15.374
+HETATM 2538 O HOH A 846 38.006 32.471 14.927
+HETATM 2539 H HOH A 847 34.015 24.814 8.565
+HETATM 2540 H HOH A 847 32.476 25.183 8.163
+HETATM 2541 O HOH A 847 33.186 25.290 8.858
+HETATM 2542 H HOH A 848 19.176 0.797 8.879
+HETATM 2543 H HOH A 848 20.182 1.911 9.522
+HETATM 2544 O HOH A 848 20.134 1.058 9.003
+HETATM 2545 H HOH A 849 20.908 7.251 30.180
+HETATM 2546 H HOH A 849 19.740 8.392 30.195
+HETATM 2547 O HOH A 849 20.715 8.221 30.330
+HETATM 2548 H HOH A 850 30.583 8.351 2.152
+HETATM 2549 H HOH A 850 31.807 8.264 3.230
+HETATM 2550 O HOH A 850 31.576 8.294 2.258
+HETATM 2551 H HOH A 851 33.886 37.638 8.940
+HETATM 2552 H HOH A 851 34.482 38.993 9.630
+HETATM 2553 O HOH A 851 34.242 38.035 9.786
+HETATM 2554 H HOH A 852 1.424 13.236 29.071
+HETATM 2555 H HOH A 852 2.126 13.894 30.391
+HETATM 2556 O HOH A 852 1.370 13.327 30.066
+HETATM 2557 H HOH A 853 25.037 14.171 14.092
+HETATM 2558 H HOH A 853 25.898 15.195 15.027
+HETATM 2559 O HOH A 853 25.958 14.463 14.349
+HETATM 2560 H HOH A 854 37.675 37.388 37.038
+HETATM 2561 H HOH A 854 36.284 36.565 36.804
+HETATM 2562 O HOH A 854 37.280 36.520 36.736
+HETATM 2563 H HOH A 855 27.775 30.175 10.128
+HETATM 2564 H HOH A 855 26.710 29.274 9.279
+HETATM 2565 O HOH A 855 26.894 29.703 10.163
+HETATM 2566 H HOH A 856 21.718 21.996 12.052
+HETATM 2567 H HOH A 856 20.218 22.511 12.444
+HETATM 2568 O HOH A 856 20.807 21.709 12.349
+HETATM 2569 H HOH A 857 0.049 1.393 5.331
+HETATM 2570 H HOH A 857 0.611 1.970 3.910
+HETATM 2571 O HOH A 857 -0.000 2.151 4.680
+HETATM 2572 H HOH A 858 4.010 37.115 16.480
+HETATM 2573 H HOH A 858 5.318 38.042 16.793
+HETATM 2574 O HOH A 858 4.356 37.887 17.015
+HETATM 2575 H HOH A 859 13.186 10.293 23.919
+HETATM 2576 H HOH A 859 11.583 10.306 23.609
+HETATM 2577 O HOH A 859 12.376 10.873 23.827
+HETATM 2578 H HOH A 860 27.061 31.259 34.002
+HETATM 2579 H HOH A 860 28.673 31.085 34.200
+HETATM 2580 O HOH A 860 27.931 31.745 34.088
+HETATM 2581 H HOH A 861 22.001 24.331 24.073
+HETATM 2582 H HOH A 861 23.064 24.954 25.144
+HETATM 2583 O HOH A 861 22.570 25.124 24.293
+HETATM 2584 H HOH A 862 36.445 39.178 21.737
+HETATM 2585 H HOH A 862 37.923 38.488 21.793
+HETATM 2586 O HOH A 862 36.940 38.316 21.844
+HETATM 2587 H HOH A 863 36.057 19.743 11.388
+HETATM 2588 H HOH A 863 35.865 18.988 12.823
+HETATM 2589 O HOH A 863 35.390 19.358 12.025
+HETATM 2590 H HOH A 864 14.507 8.589 8.034
+HETATM 2591 H HOH A 864 13.956 7.348 7.127
+HETATM 2592 O HOH A 864 14.685 7.649 7.741
+HETATM 2593 H HOH A 865 12.254 12.982 23.212
+HETATM 2594 H HOH A 865 13.397 13.953 22.567
+HETATM 2595 O HOH A 865 12.619 13.913 23.194
+HETATM 2596 H HOH A 866 4.277 33.967 26.008
+HETATM 2597 H HOH A 866 3.923 33.704 27.581
+HETATM 2598 O HOH A 866 3.576 34.063 26.715
+HETATM 2599 H HOH A 867 26.068 25.892 32.586
+HETATM 2600 H HOH A 867 25.354 27.339 32.335
+HETATM 2601 O HOH A 867 26.219 26.879 32.532
+HETATM 2602 H HOH A 868 22.617 33.899 7.122
+HETATM 2603 H HOH A 868 22.900 35.496 7.313
+HETATM 2604 O HOH A 868 23.327 34.596 7.226
+HETATM 2605 H HOH A 869 21.203 25.867 34.115
+HETATM 2606 H HOH A 869 22.640 25.866 33.338
+HETATM 2607 O HOH A 869 22.090 25.411 34.038
+HETATM 2608 H HOH A 870 8.218 1.729 26.141
+HETATM 2609 H HOH A 870 9.178 0.501 26.629
+HETATM 2610 O HOH A 870 9.003 1.482 26.710
+HETATM 2611 H HOH A 871 24.297 1.404 5.143
+HETATM 2612 H HOH A 871 25.810 1.490 5.752
+HETATM 2613 O HOH A 871 24.862 1.248 5.954
+HETATM 2614 H HOH A 872 35.183 8.696 20.345
+HETATM 2615 H HOH A 872 35.586 10.249 20.649
+HETATM 2616 O HOH A 872 34.828 9.622 20.472
+HETATM 2617 H HOH A 873 26.717 22.972 22.704
+HETATM 2618 H HOH A 873 27.389 22.823 21.223
+HETATM 2619 O HOH A 873 26.620 23.204 21.735
+HETATM 2620 H HOH A 874 19.244 15.307 12.943
+HETATM 2621 H HOH A 874 18.615 15.484 14.439
+HETATM 2622 O HOH A 874 19.461 15.389 13.916
+HETATM 2623 H HOH A 875 16.730 17.739 4.794
+HETATM 2624 H HOH A 875 15.430 18.726 4.737
+HETATM 2625 O HOH A 875 15.869 17.982 5.240
+HETATM 2626 H HOH A 876 12.079 38.070 21.130
+HETATM 2627 H HOH A 876 11.705 39.652 20.974
+HETATM 2628 O HOH A 876 11.347 38.748 21.205
+HETATM 2629 H HOH A 877 26.654 1.230 0.053
+HETATM 2630 H HOH A 877 27.677 2.502 0.031
+HETATM 2631 O HOH A 877 26.717 2.227 -0.000
+HETATM 2632 H HOH A 878 2.658 23.233 19.320
+HETATM 2633 H HOH A 878 2.889 21.636 19.572
+HETATM 2634 O HOH A 878 3.344 22.510 19.409
+HETATM 2635 H HOH A 879 6.644 27.982 33.340
+HETATM 2636 H HOH A 879 6.070 27.470 34.781
+HETATM 2637 O HOH A 879 5.870 27.551 33.805
+HETATM 2638 H HOH A 880 33.391 6.055 25.220
+HETATM 2639 H HOH A 880 32.184 4.981 24.981
+HETATM 2640 O HOH A 880 33.174 5.092 25.054
+HETATM 2641 H HOH A 881 22.025 33.490 23.494
+HETATM 2642 H HOH A 881 20.474 32.991 23.604
+HETATM 2643 O HOH A 881 21.426 32.691 23.542
+HETATM 2644 H HOH A 882 20.025 36.208 10.183
+HETATM 2645 H HOH A 882 21.246 36.030 11.252
+HETATM 2646 O HOH A 882 20.367 35.664 10.949
+HETATM 2647 H HOH A 883 28.691 10.420 5.364
+HETATM 2648 H HOH A 883 29.616 10.935 4.120
+HETATM 2649 O HOH A 883 28.691 10.919 4.497
+HETATM 2650 H HOH A 884 25.375 27.211 13.045
+HETATM 2651 H HOH A 884 26.912 26.679 12.893
+HETATM 2652 O HOH A 884 26.336 27.425 13.225
+HETATM 2653 H HOH A 885 7.636 19.413 -0.000
+HETATM 2654 H HOH A 885 6.946 18.128 0.734
+HETATM 2655 O HOH A 885 6.770 18.955 0.201
+HETATM 2656 H HOH A 886 21.167 20.676 2.157
+HETATM 2657 H HOH A 886 21.468 19.143 2.633
+HETATM 2658 O HOH A 886 21.659 19.833 1.936
+HETATM 2659 H HOH A 887 21.921 23.589 9.968
+HETATM 2660 H HOH A 887 20.594 22.690 10.284
+HETATM 2661 O HOH A 887 20.975 23.405 9.699
+HETATM 2662 H HOH A 888 27.550 7.239 22.765
+HETATM 2663 H HOH A 888 28.640 6.111 23.221
+HETATM 2664 O HOH A 888 27.832 6.285 22.659
+HETATM 2665 H HOH A 889 19.763 6.493 4.789
+HETATM 2666 H HOH A 889 21.378 6.496 4.545
+HETATM 2667 O HOH A 889 20.485 6.426 4.100
+HETATM 2668 H HOH A 890 15.089 29.216 24.637
+HETATM 2669 H HOH A 890 13.652 29.973 24.464
+HETATM 2670 O HOH A 890 14.603 30.082 24.752
+HETATM 2671 H HOH A 891 13.787 14.003 31.096
+HETATM 2672 H HOH A 891 14.263 13.186 32.428
+HETATM 2673 O HOH A 891 13.479 13.580 31.949
+HETATM 2674 H HOH A 892 13.601 20.897 37.554
+HETATM 2675 H HOH A 892 13.491 19.280 37.751
+HETATM 2676 O HOH A 892 14.111 20.063 37.766
+HETATM 2677 H HOH A 893 7.005 0.977 0.346
+HETATM 2678 H HOH A 893 8.318 1.582 1.105
+HETATM 2679 O HOH A 893 7.550 1.800 0.504
+HETATM 2680 H HOH A 894 16.861 7.042 4.227
+HETATM 2681 H HOH A 894 16.026 8.009 5.244
+HETATM 2682 O HOH A 894 16.018 7.565 4.348
+HETATM 2683 H HOH A 895 39.978 2.957 31.287
+HETATM 2684 H HOH A 895 38.351 2.908 31.421
+HETATM 2685 O HOH A 895 39.133 3.484 31.186
+HETATM 2686 H HOH A 896 21.122 31.912 39.057
+HETATM 2687 H HOH A 896 21.028 33.395 38.380
+HETATM 2688 O HOH A 896 21.505 32.835 39.056
+HETATM 2689 H HOH A 897 36.477 28.295 21.363
+HETATM 2690 H HOH A 897 36.597 28.726 19.793
+HETATM 2691 O HOH A 897 36.045 28.233 20.463
+HETATM 2692 H HOH A 898 1.826 9.209 30.789
+HETATM 2693 H HOH A 898 2.764 10.524 31.029
+HETATM 2694 O HOH A 898 2.763 9.530 30.925
+HETATM 2695 H HOH A 899 37.480 37.804 4.155
+HETATM 2696 H HOH A 899 36.100 38.637 4.419
+HETATM 2697 O HOH A 899 36.814 38.083 4.847
+HETATM 2698 H HOH A 900 39.821 8.386 16.647
+HETATM 2699 H HOH A 900 39.598 7.454 17.969
+HETATM 2700 O HOH A 900 39.405 8.343 17.556
+HETATM 2701 H HOH A 901 1.151 30.436 16.852
+HETATM 2702 H HOH A 901 1.714 29.539 15.609
+HETATM 2703 O HOH A 901 1.880 30.348 16.173
+HETATM 2704 H HOH A 902 10.441 37.293 4.383
+HETATM 2705 H HOH A 902 10.422 38.902 4.662
+HETATM 2706 O HOH A 902 9.868 38.071 4.640
+HETATM 2707 H HOH A 903 28.275 10.684 39.997
+HETATM 2708 H HOH A 903 26.788 10.007 40.000
+HETATM 2709 O HOH A 903 27.292 10.871 39.999
+HETATM 2710 H HOH A 904 10.623 30.864 39.578
+HETATM 2711 H HOH A 904 9.293 30.007 39.176
+HETATM 2712 O HOH A 904 10.290 29.983 39.242
+HETATM 2713 H HOH A 905 25.157 19.779 7.559
+HETATM 2714 H HOH A 905 26.560 20.613 7.577
+HETATM 2715 O HOH A 905 25.627 20.578 7.933
+HETATM 2716 H HOH A 906 16.042 1.964 35.397
+HETATM 2717 H HOH A 906 15.144 0.694 34.900
+HETATM 2718 O HOH A 906 16.071 1.061 34.969
+HETATM 2719 H HOH A 907 31.294 24.990 10.144
+HETATM 2720 H HOH A 907 30.199 26.121 9.710
+HETATM 2721 O HOH A 907 30.350 25.143 9.852
+HETATM 2722 H HOH A 908 33.100 38.307 15.045
+HETATM 2723 H HOH A 908 31.765 37.845 15.865
+HETATM 2724 O HOH A 908 32.119 38.464 15.164
+HETATM 2725 H HOH A 909 0.042 23.382 18.051
+HETATM 2726 H HOH A 909 0.530 22.531 19.357
+HETATM 2727 O HOH A 909 0.091 22.471 18.462
+HETATM 2728 H HOH A 910 38.133 39.863 24.791
+HETATM 2729 H HOH A 910 39.341 39.277 25.721
+HETATM 2730 O HOH A 910 38.881 39.201 24.837
+HETATM 2731 H HOH A 911 9.034 34.237 39.241
+HETATM 2732 H HOH A 911 8.301 32.860 38.758
+HETATM 2733 O HOH A 911 9.072 33.475 38.594
+HETATM 2734 H HOH A 912 38.622 6.068 31.603
+HETATM 2735 H HOH A 912 39.774 6.021 32.760
+HETATM 2736 O HOH A 912 39.339 5.509 32.021
+HETATM 2737 H HOH A 913 23.776 36.309 5.232
+HETATM 2738 H HOH A 913 23.802 37.922 5.486
+HETATM 2739 O HOH A 913 24.072 37.033 5.855
+HETATM 2740 H HOH A 914 15.146 14.509 0.082
+HETATM 2741 H HOH A 914 14.165 14.034 1.298
+HETATM 2742 O HOH A 914 14.473 13.827 0.370
+HETATM 2743 H HOH A 915 9.634 13.901 0.573
+HETATM 2744 H HOH A 915 8.077 13.874 1.067
+HETATM 2745 O HOH A 915 8.989 14.236 1.260
+HETATM 2746 H HOH A 916 18.731 38.734 11.218
+HETATM 2747 H HOH A 916 19.713 40.005 10.922
+HETATM 2748 O HOH A 916 19.063 39.364 10.516
+HETATM 2749 H HOH A 917 35.810 15.858 12.115
+HETATM 2750 H HOH A 917 37.089 16.775 12.551
+HETATM 2751 O HOH A 917 36.092 16.743 12.486
+HETATM 2752 H HOH A 918 37.809 11.541 31.473
+HETATM 2753 H HOH A 918 37.279 11.262 29.954
+HETATM 2754 O HOH A 918 37.055 11.180 30.924
+HETATM 2755 H HOH A 919 18.424 7.573 14.374
+HETATM 2756 H HOH A 919 17.910 6.656 15.624
+HETATM 2757 O HOH A 919 18.223 6.640 14.675
+HETATM 2758 H HOH A 920 28.310 -0.000 2.674
+HETATM 2759 H HOH A 920 27.898 1.578 2.756
+HETATM 2760 O HOH A 920 28.536 0.921 2.356
+HETATM 2761 H HOH A 921 30.792 32.267 21.039
+HETATM 2762 H HOH A 921 29.317 32.918 21.297
+HETATM 2763 O HOH A 921 30.262 33.115 21.038
+HETATM 2764 H HOH A 922 24.984 11.314 0.457
+HETATM 2765 H HOH A 922 25.459 9.782 0.762
+HETATM 2766 O HOH A 922 25.751 10.673 0.416
+HETATM 2767 H HOH A 923 18.006 19.461 28.651
+HETATM 2768 H HOH A 923 18.525 20.585 27.586
+HETATM 2769 O HOH A 923 18.591 19.625 27.857
+HETATM 2770 H HOH A 924 37.104 10.386 24.785
+HETATM 2771 H HOH A 924 37.061 11.755 25.676
+HETATM 2772 O HOH A 924 37.628 11.186 25.080
+HETATM 2773 H HOH A 925 9.780 7.127 14.689
+HETATM 2774 H HOH A 925 8.638 8.164 15.225
+HETATM 2775 O HOH A 925 9.034 7.734 14.414
+HETATM 2776 H HOH A 926 12.172 23.143 1.256
+HETATM 2777 H HOH A 926 13.724 22.637 1.215
+HETATM 2778 O HOH A 926 13.116 23.381 1.489
+HETATM 2779 H HOH A 927 38.583 32.992 28.508
+HETATM 2780 H HOH A 927 37.451 31.844 28.248
+HETATM 2781 O HOH A 927 38.196 32.365 27.832
+HETATM 2782 H HOH A 928 20.513 19.988 7.867
+HETATM 2783 H HOH A 928 20.942 18.718 6.935
+HETATM 2784 O HOH A 928 20.557 19.640 6.931
+HETATM 2785 H HOH A 929 29.191 13.892 1.548
+HETATM 2786 H HOH A 929 28.671 13.892 0.001
+HETATM 2787 O HOH A 929 28.400 14.028 0.953
+HETATM 2788 H HOH A 930 32.044 8.622 29.727
+HETATM 2789 H HOH A 930 33.158 7.441 29.551
+HETATM 2790 O HOH A 930 32.598 8.115 29.068
+HETATM 2791 H HOH A 931 28.608 18.947 38.307
+HETATM 2792 H HOH A 931 27.458 17.814 38.060
+HETATM 2793 O HOH A 931 27.933 18.596 37.657
+HETATM 2794 H HOH A 932 37.761 4.020 26.043
+HETATM 2795 H HOH A 932 38.255 2.596 26.672
+HETATM 2796 O HOH A 932 37.614 3.031 26.041
+HETATM 2797 H HOH A 933 11.750 39.789 14.513
+HETATM 2798 H HOH A 933 12.276 39.593 16.046
+HETATM 2799 O HOH A 933 11.569 40.004 15.473
+HETATM 2800 H HOH A 934 27.768 3.714 33.955
+HETATM 2801 H HOH A 934 28.074 4.884 32.857
+HETATM 2802 O HOH A 934 27.419 4.186 33.145
+HETATM 2803 H HOH A 935 11.350 5.992 22.768
+HETATM 2804 H HOH A 935 10.466 6.933 21.768
+HETATM 2805 O HOH A 935 10.960 6.904 22.637
+HETATM 2806 H HOH A 936 13.435 17.415 3.430
+HETATM 2807 H HOH A 936 13.516 19.046 3.415
+HETATM 2808 O HOH A 936 12.900 18.260 3.427
+HETATM 2809 H HOH A 937 31.607 10.398 9.704
+HETATM 2810 H HOH A 937 31.016 10.997 11.104
+HETATM 2811 O HOH A 937 30.775 10.579 10.229
+HETATM 2812 H HOH A 938 39.706 15.737 10.456
+HETATM 2813 H HOH A 938 38.379 15.431 11.358
+HETATM 2814 O HOH A 938 39.214 15.976 11.294
+HETATM 2815 H HOH A 939 33.419 26.587 18.045
+HETATM 2816 H HOH A 939 33.132 24.997 17.805
+HETATM 2817 O HOH A 939 32.722 25.870 18.068
+HETATM 2818 H HOH A 940 33.057 0.834 33.568
+HETATM 2819 H HOH A 940 31.711 0.000 33.170
+HETATM 2820 O HOH A 940 32.094 0.912 33.309
+HETATM 2821 H HOH A 941 23.717 35.180 14.041
+HETATM 2822 H HOH A 941 23.003 36.458 13.319
+HETATM 2823 O HOH A 941 23.878 36.047 13.568
+HETATM 2824 H HOH A 942 18.850 10.288 25.982
+HETATM 2825 H HOH A 942 17.291 10.223 26.462
+HETATM 2826 O HOH A 942 18.233 10.357 26.766
+HETATM 2827 H HOH A 943 15.985 20.978 25.328
+HETATM 2828 H HOH A 943 14.400 21.321 25.137
+HETATM 2829 O HOH A 943 15.307 21.712 25.288
+HETATM 2830 H HOH A 944 9.474 4.269 14.086
+HETATM 2831 H HOH A 944 9.801 3.903 12.528
+HETATM 2832 O HOH A 944 9.245 3.663 13.323
+HETATM 2833 H HOH A 945 25.223 0.002 18.300
+HETATM 2834 H HOH A 945 25.770 0.001 19.839
+HETATM 2835 O HOH A 945 25.628 0.561 19.024
+HETATM 2836 H HOH A 946 32.158 18.509 6.786
+HETATM 2837 H HOH A 946 33.754 18.852 6.821
+HETATM 2838 O HOH A 946 33.077 18.116 6.805
+HETATM 2839 H HOH A 947 5.225 32.590 16.665
+HETATM 2840 H HOH A 947 6.756 32.219 17.096
+HETATM 2841 O HOH A 947 6.070 32.946 17.063
+HETATM 2842 H HOH A 948 16.620 31.082 9.896
+HETATM 2843 H HOH A 948 16.390 29.541 10.386
+HETATM 2844 O HOH A 948 15.976 30.448 10.325
+HETATM 2845 H HOH A 949 1.446 31.234 26.868
+HETATM 2846 H HOH A 949 1.985 30.131 25.792
+HETATM 2847 O HOH A 949 1.179 30.614 26.129
+HETATM 2848 H HOH A 950 11.454 26.986 17.860
+HETATM 2849 H HOH A 950 10.299 27.974 17.263
+HETATM 2850 O HOH A 950 10.471 27.167 17.827
+HETATM 2851 H HOH A 951 38.667 21.340 20.454
+HETATM 2852 H HOH A 951 38.622 19.711 20.564
+HETATM 2853 O HOH A 951 38.930 20.483 20.009
+HETATM 2854 H HOH A 952 36.265 13.877 19.739
+HETATM 2855 H HOH A 952 35.615 12.717 18.791
+HETATM 2856 O HOH A 952 36.393 13.333 18.909
+HETATM 2857 H HOH A 953 18.837 30.087 16.926
+HETATM 2858 H HOH A 953 18.110 28.650 16.654
+HETATM 2859 O HOH A 953 17.965 29.635 16.736
+HETATM 2860 H HOH A 954 19.517 8.265 24.028
+HETATM 2861 H HOH A 954 20.391 8.894 25.257
+HETATM 2862 O HOH A 954 19.553 8.403 25.018
+HETATM 2863 H HOH A 955 17.982 10.717 35.718
+HETATM 2864 H HOH A 955 18.316 11.257 34.214
+HETATM 2865 O HOH A 955 18.646 10.695 34.972
+HETATM 2866 H HOH A 956 17.700 36.056 19.341
+HETATM 2867 H HOH A 956 17.172 34.514 19.427
+HETATM 2868 O HOH A 956 16.966 35.429 19.082
+HETATM 2869 H HOH A 957 8.791 3.257 30.656
+HETATM 2870 H HOH A 957 7.612 4.273 30.161
+HETATM 2871 O HOH A 957 8.593 4.087 30.134
+HETATM 2872 H HOH A 958 6.845 4.942 18.757
+HETATM 2873 H HOH A 958 6.627 5.364 20.320
+HETATM 2874 O HOH A 958 7.170 5.531 19.497
+HETATM 2875 H HOH A 959 32.041 27.455 36.419
+HETATM 2876 H HOH A 959 33.443 27.798 35.655
+HETATM 2877 O HOH A 959 33.038 27.400 36.478
+HETATM 2878 H HOH A 960 18.452 29.675 36.698
+HETATM 2879 H HOH A 960 18.280 30.547 38.068
+HETATM 2880 O HOH A 960 18.212 29.633 37.668
+HETATM 2881 H HOH A 961 34.067 33.711 23.680
+HETATM 2882 H HOH A 961 35.479 32.975 24.041
+HETATM 2883 O HOH A 961 35.009 33.855 23.982
+HETATM 2884 H HOH A 962 26.909 12.282 31.196
+HETATM 2885 H HOH A 962 26.525 13.868 31.134
+HETATM 2886 O HOH A 962 26.159 12.942 31.221
+HETATM 2887 H HOH A 963 28.165 5.501 25.281
+HETATM 2888 H HOH A 963 29.575 4.856 24.768
+HETATM 2889 O HOH A 963 28.622 4.658 24.996
+HETATM 2890 H HOH A 964 9.388 33.001 25.749
+HETATM 2891 H HOH A 964 8.586 33.855 24.611
+HETATM 2892 O HOH A 964 9.167 33.058 24.775
+HETATM 2893 H HOH A 965 2.725 3.191 13.588
+HETATM 2894 H HOH A 965 2.990 3.349 15.192
+HETATM 2895 O HOH A 965 2.813 2.698 14.454
+HETATM 2896 H HOH A 966 23.054 15.775 15.048
+HETATM 2897 H HOH A 966 21.427 15.898 15.091
+HETATM 2898 O HOH A 966 22.197 15.261 15.067
+HETATM 2899 H HOH A 967 39.281 23.764 26.673
+HETATM 2900 H HOH A 967 39.793 24.887 27.742
+HETATM 2901 O HOH A 967 39.668 24.680 26.772
+HETATM 2902 H HOH A 968 39.983 16.374 13.352
+HETATM 2903 H HOH A 968 39.523 17.929 13.547
+HETATM 2904 O HOH A 968 39.203 17.000 13.364
+HETATM 2905 H HOH A 969 27.328 4.206 30.157
+HETATM 2906 H HOH A 969 26.531 5.059 31.298
+HETATM 2907 O HOH A 969 27.088 5.124 30.471
+HETATM 2908 H HOH A 970 3.052 37.564 4.918
+HETATM 2909 H HOH A 970 1.698 37.161 4.098
+HETATM 2910 O HOH A 970 2.061 37.687 4.867
+HETATM 2911 H HOH A 971 36.684 25.246 37.754
+HETATM 2912 H HOH A 971 37.154 23.697 37.537
+HETATM 2913 O HOH A 971 36.453 24.375 37.319
+HETATM 2914 H HOH A 972 11.045 13.452 26.033
+HETATM 2915 H HOH A 972 11.858 12.040 26.143
+HETATM 2916 O HOH A 972 11.925 13.031 26.253
+HETATM 2917 H HOH A 973 17.817 33.800 37.863
+HETATM 2918 H HOH A 973 18.975 33.775 36.712
+HETATM 2919 O HOH A 973 18.712 33.430 37.612
+HETATM 2920 H HOH A 974 22.048 32.547 21.435
+HETATM 2921 H HOH A 974 23.612 32.382 21.875
+HETATM 2922 O HOH A 974 22.755 31.895 21.713
+HETATM 2923 H HOH A 975 4.090 39.995 34.799
+HETATM 2924 H HOH A 975 2.908 39.082 35.460
+HETATM 2925 O HOH A 975 3.365 39.970 35.488
+HETATM 2926 H HOH A 976 27.032 16.629 12.963
+HETATM 2927 H HOH A 976 27.176 17.058 14.532
+HETATM 2928 O HOH A 976 27.678 16.809 13.705
+HETATM 2929 H HOH A 977 4.072 13.172 15.196
+HETATM 2930 H HOH A 977 3.483 11.930 14.315
+HETATM 2931 O HOH A 977 3.302 12.857 14.641
+HETATM 2932 H HOH A 978 2.726 37.013 26.709
+HETATM 2933 H HOH A 978 1.166 36.529 26.728
+HETATM 2934 O HOH A 978 1.775 37.322 26.716
+HETATM 2935 H HOH A 979 14.210 31.359 39.860
+HETATM 2936 H HOH A 979 15.810 31.653 40.000
+HETATM 2937 O HOH A 979 15.027 31.676 39.379
+HETATM 2938 H HOH A 980 38.733 29.077 14.689
+HETATM 2939 H HOH A 980 37.386 29.763 14.072
+HETATM 2940 O HOH A 980 38.292 29.944 14.454
+HETATM 2941 H HOH A 981 13.058 20.746 19.847
+HETATM 2942 H HOH A 981 13.737 19.314 20.239
+HETATM 2943 O HOH A 981 13.919 20.242 19.917
+HETATM 2944 H HOH A 982 13.292 15.023 36.046
+HETATM 2945 H HOH A 982 12.191 16.064 35.437
+HETATM 2946 O HOH A 982 13.161 15.925 35.635
+HETATM 2947 H HOH A 983 34.964 29.479 26.037
+HETATM 2948 H HOH A 983 36.388 29.757 25.289
+HETATM 2949 O HOH A 983 35.790 29.053 25.670
+HETATM 2950 H HOH A 984 32.135 35.394 8.519
+HETATM 2951 H HOH A 984 30.667 36.108 8.589
+HETATM 2952 O HOH A 984 31.650 36.269 8.507
+HETATM 2953 H HOH A 985 25.395 11.808 11.091
+HETATM 2954 H HOH A 985 26.944 11.921 10.588
+HETATM 2955 O HOH A 985 26.122 12.439 10.822
+HETATM 2956 H HOH A 986 15.631 31.234 26.320
+HETATM 2957 H HOH A 986 15.195 32.347 27.432
+HETATM 2958 O HOH A 986 15.966 31.944 26.940
+HETATM 2959 H HOH A 987 40.037 35.782 34.647
+HETATM 2960 H HOH A 987 38.698 35.716 33.715
+HETATM 2961 O HOH A 987 39.225 35.243 34.420
+HETATM 2962 H HOH A 988 11.520 13.379 19.862
+HETATM 2963 H HOH A 988 11.785 11.773 19.990
+HETATM 2964 O HOH A 988 12.213 12.659 19.815
+HETATM 2965 H HOH A 989 16.307 17.810 17.730
+HETATM 2966 H HOH A 989 17.590 17.773 18.739
+HETATM 2967 O HOH A 989 16.592 17.769 18.687
+HETATM 2968 H HOH A 990 16.570 24.438 30.361
+HETATM 2969 H HOH A 990 16.193 25.633 31.407
+HETATM 2970 O HOH A 990 15.835 25.025 30.700
+HETATM 2971 H HOH A 991 2.743 19.306 7.933
+HETATM 2972 H HOH A 991 2.708 19.904 6.414
+HETATM 2973 O HOH A 991 2.258 19.916 7.306
+HETATM 2974 H HOH A 992 8.049 33.069 20.957
+HETATM 2975 H HOH A 992 7.032 34.130 20.244
+HETATM 2976 O HOH A 992 7.985 33.837 20.320
+HETATM 2977 H HOH A 993 31.840 38.530 0.230
+HETATM 2978 H HOH A 993 33.362 37.986 0.001
+HETATM 2979 O HOH A 993 32.788 38.801 0.067
+HETATM 2980 H HOH A 994 2.259 6.927 39.833
+HETATM 2981 H HOH A 994 1.518 5.534 39.412
+HETATM 2982 O HOH A 994 2.216 5.941 40.000
+HETATM 2983 H HOH A 995 12.635 29.711 22.111
+HETATM 2984 H HOH A 995 11.587 28.460 22.178
+HETATM 2985 O HOH A 995 12.512 28.764 22.407
+HETATM 2986 H HOH A 996 -0.007 17.794 30.426
+HETATM 2987 H HOH A 996 0.962 19.108 30.384
+HETATM 2988 O HOH A 996 0.144 18.684 29.996
+HETATM 2989 H HOH A 997 11.019 37.423 1.181
+HETATM 2990 H HOH A 997 11.021 39.051 1.310
+HETATM 2991 O HOH A 997 11.130 38.193 1.810
+HETATM 2992 H HOH A 998 27.262 38.965 26.183
+HETATM 2993 H HOH A 998 27.446 37.467 25.559
+HETATM 2994 O HOH A 998 27.924 38.253 25.949
+HETATM 2995 H HOH A 999 6.042 25.456 39.348
+HETATM 2996 H HOH A 999 4.418 25.442 39.519
+HETATM 2997 O HOH A 999 5.290 25.350 39.999
+HETATM 2998 H HOH A1000 13.039 15.351 16.151
+HETATM 2999 H HOH A1000 11.919 14.435 16.910
+HETATM 3000 O HOH A1000 12.783 14.418 16.408
+HETATM 3001 C 2 B 1 25.339 25.837 1.596
+HETATM 3002 N 2 B 1 25.656 27.156 2.109
+HETATM 3003 O 2 B 1 25.064 25.663 0.234
+HETATM 3004 N 2 B 1 25.306 24.698 2.493
+HETATM 3005 H 2 B 1 25.526 25.001 3.429
+HETATM 3006 H 2 B 1 25.137 23.704 2.493
+HETATM 3007 H 2 B 1 25.825 27.099 3.101
+HETATM 3008 H 2 B 1 25.764 28.111 1.804
+HETATM 3009 C 2 B 2 2.208 10.882 23.032
+HETATM 3010 N 2 B 2 2.194 9.498 22.597
+HETATM 3011 O 2 B 2 3.226 11.340 23.877
+HETATM 3012 N 2 B 2 1.168 11.791 22.590
+HETATM 3013 H 2 B 2 0.523 11.299 21.992
+HETATM 3014 H 2 B 2 0.876 12.751 22.682
+HETATM 3015 H 2 B 2 1.399 9.342 21.998
+HETATM 3016 H 2 B 2 2.715 8.640 22.695
+HETATM 3017 C 2 B 3 27.713 12.619 25.029
+HETATM 3018 N 2 B 3 29.010 13.234 25.238
+HETATM 3019 O 2 B 3 26.934 12.239 26.128
+HETATM 3020 N 2 B 3 27.224 12.399 23.682
+HETATM 3021 H 2 B 3 27.906 12.729 23.018
+HETATM 3022 H 2 B 3 26.428 12.025 23.188
+HETATM 3023 H 2 B 3 29.431 13.442 24.346
+HETATM 3024 H 2 B 3 29.631 13.522 25.978
+HETATM 3025 C 2 B 4 10.078 27.025 4.610
+HETATM 3026 N 2 B 4 9.454 25.998 3.798
+HETATM 3027 O 2 B 4 9.904 28.376 4.284
+HETATM 3028 N 2 B 4 10.881 26.654 5.759
+HETATM 3029 H 2 B 4 10.899 25.650 5.845
+HETATM 3030 H 2 B 4 11.427 27.065 6.500
+HETATM 3031 H 2 B 4 9.681 25.090 4.172
+HETATM 3032 H 2 B 4 8.869 25.889 2.984
+HETATM 3033 C 2 B 5 34.989 24.442 28.661
+HETATM 3034 N 2 B 5 33.820 23.995 29.393
+HETATM 3035 O 2 B 5 36.247 24.430 29.275
+HETATM 3036 N 2 B 5 34.856 24.903 27.292
+HETATM 3037 H 2 B 5 33.889 24.845 27.011
+HETATM 3038 H 2 B 5 35.407 25.262 26.528
+HETATM 3039 H 2 B 5 33.006 24.070 28.804
+HETATM 3040 H 2 B 5 33.551 23.633 30.295
+HETATM 3041 C 2 B 6 7.882 27.141 17.261
+HETATM 3042 N 2 B 6 8.448 25.989 16.586
+HETATM 3043 O 2 B 6 8.135 27.349 18.622
+HETATM 3044 N 2 B 6 7.052 28.076 16.526
+HETATM 3045 H 2 B 6 6.974 27.776 15.567
+HETATM 3046 H 2 B 6 6.526 28.927 16.656
+HETATM 3047 H 2 B 6 8.166 25.995 15.618
+HETATM 3048 H 2 B 6 9.031 25.185 16.762
+HETATM 3049 C 2 B 7 31.966 29.999 32.279
+HETATM 3050 N 2 B 7 32.487 30.274 30.954
+HETATM 3051 O 2 B 7 32.707 30.360 33.411
+HETATM 3052 N 2 B 7 30.678 29.351 32.432
+HETATM 3053 H 2 B 7 30.286 29.163 31.523
+HETATM 3054 H 2 B 7 30.043 29.026 33.145
+HETATM 3055 H 2 B 7 31.830 29.951 30.261
+HETATM 3056 H 2 B 7 33.287 30.680 30.495
+HETATM 3057 C 2 B 8 9.816 3.647 6.125
+HETATM 3058 N 2 B 8 9.300 2.502 6.850
+HETATM 3059 O 2 B 8 11.128 4.082 6.348
+HETATM 3060 N 2 B 8 8.974 4.341 5.170
+HETATM 3061 H 2 B 8 8.070 3.898 5.136
+HETATM 3062 H 2 B 8 8.992 5.119 4.529
+HETATM 3063 H 2 B 8 8.347 2.329 6.569
+HETATM 3064 H 2 B 8 9.576 1.821 7.541
+HETATM 3065 C 2 B 9 31.108 34.850 37.968
+HETATM 3066 N 2 B 9 32.525 34.556 37.869
+HETATM 3067 O 2 B 9 30.185 34.099 37.231
+HETATM 3068 N 2 B 9 30.648 35.921 38.830
+HETATM 3069 H 2 B 9 31.440 36.353 39.281
+HETATM 3070 H 2 B 9 29.801 36.378 39.129
+HETATM 3071 H 2 B 9 33.041 35.188 38.460
+HETATM 3072 H 2 B 9 33.166 33.931 37.405
+HETATM 3073 C 2 B 10 9.778 17.913 30.792
+HETATM 3074 N 2 B 10 10.914 18.739 31.152
+HETATM 3075 O 2 B 10 8.887 17.480 31.780
+HETATM 3076 N 2 B 10 9.565 17.536 29.408
+HETATM 3077 H 2 B 10 10.295 17.931 28.835
+HETATM 3078 H 2 B 10 8.930 17.010 28.827
+HETATM 3079 H 2 B 10 11.447 18.958 30.324
+HETATM 3080 H 2 B 10 11.349 19.168 31.954
+HETATM 3081 C 2 B 11 7.784 11.965 18.911
+HETATM 3082 N 2 B 11 9.222 11.778 18.870
+HETATM 3083 O 2 B 11 6.999 11.601 17.811
+HETATM 3084 N 2 B 11 7.160 12.529 20.093
+HETATM 3085 H 2 B 11 7.867 12.731 20.782
+HETATM 3086 H 2 B 11 6.254 12.785 20.454
+HETATM 3087 H 2 B 11 9.626 12.090 19.739
+HETATM 3088 H 2 B 11 9.951 11.440 18.262
+HETATM 3089 C 2 B 12 14.459 17.726 38.970
+HETATM 3090 N 2 B 12 13.047 17.535 39.243
+HETATM 3091 O 2 B 12 15.329 18.090 40.004
+HETATM 3092 N 2 B 12 14.969 17.539 37.625
+HETATM 3093 H 2 B 12 14.212 17.281 37.012
+HETATM 3094 H 2 B 12 15.828 17.581 37.100
+HETATM 3095 H 2 B 12 12.572 17.278 38.393
+HETATM 3096 H 2 B 12 12.383 17.575 40.001
+HETATM 3097 C 2 B 13 17.203 21.145 8.603
+HETATM 3098 N 2 B 13 16.583 21.891 9.680
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+HETATM 3825 C 2 B 104 36.228 27.317 30.779
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+HETATM 6003 O 2 B 376 38.384 21.175 27.834
+HETATM 6004 N 2 B 376 36.914 19.588 26.644
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+HETATM 6007 H 2 B 376 38.208 20.414 24.633
+HETATM 6008 H 2 B 376 39.342 21.541 25.025
+HETATM 6009 C 2 B 377 14.739 26.222 27.584
+HETATM 6010 N 2 B 377 14.271 25.397 28.681
+HETATM 6011 O 2 B 377 14.887 25.670 26.306
+HETATM 6012 N 2 B 377 15.055 27.619 27.811
+HETATM 6013 H 2 B 377 14.893 27.847 28.780
+HETATM 6014 H 2 B 377 15.382 28.438 27.323
+HETATM 6015 H 2 B 377 14.223 25.950 29.522
+HETATM 6016 H 2 B 377 13.976 24.454 28.882
+HETATM 6017 C 2 B 378 33.758 30.211 13.788
+HETATM 6018 N 2 B 378 32.683 29.920 14.717
+HETATM 6019 O 2 B 378 33.880 31.493 13.238
+HETATM 6020 N 2 B 378 34.707 29.175 13.428
+HETATM 6021 H 2 B 378 34.473 28.322 13.911
+HETATM 6022 H 2 B 378 35.523 29.024 12.856
+HETATM 6023 H 2 B 378 32.746 28.958 15.011
+HETATM 6024 H 2 B 378 31.895 30.359 15.166
+HETATM 6025 C 2 B 379 37.458 12.750 34.517
+HETATM 6026 N 2 B 379 38.225 13.754 35.228
+HETATM 6027 O 2 B 379 37.257 12.871 33.137
+HETATM 6028 N 2 B 379 36.899 11.621 35.235
+HETATM 6029 H 2 B 379 37.138 11.691 36.211
+HETATM 6030 H 2 B 379 36.350 10.789 35.082
+HETATM 6031 H 2 B 379 38.270 13.512 36.206
+HETATM 6032 H 2 B 379 38.728 14.613 35.071
+HETATM 6033 C 2 B 380 15.851 25.412 39.006
+HETATM 6034 N 2 B 380 15.486 26.804 38.822
+HETATM 6035 O 2 B 380 15.023 24.399 38.510
+HETATM 6036 N 2 B 380 17.075 25.070 39.706
+HETATM 6037 H 2 B 380 17.545 25.915 39.992
+HETATM 6038 H 2 B 380 17.612 24.270 40.000
+HETATM 6039 H 2 B 380 16.189 27.394 39.238
+HETATM 6040 H 2 B 380 14.763 27.377 38.416
+HETATM 6041 C 2 B 381 18.447 29.693 20.500
+HETATM 6042 N 2 B 381 18.915 28.573 19.707
+HETATM 6043 O 2 B 381 18.467 29.617 21.898
+HETATM 6044 N 2 B 381 17.959 30.892 19.846
+HETATM 6045 H 2 B 381 18.015 30.776 18.846
+HETATM 6046 H 2 B 381 17.582 31.803 20.058
+HETATM 6047 H 2 B 381 18.831 28.797 18.727
+HETATM 6048 H 2 B 381 19.297 27.645 19.808
+HETATM 6049 C 2 B 382 23.259 14.764 5.182
+HETATM 6050 N 2 B 382 22.304 14.129 4.295
+HETATM 6051 O 2 B 382 24.599 14.358 5.174
+HETATM 6052 N 2 B 382 22.827 15.819 6.078
+HETATM 6053 H 2 B 382 21.840 15.983 5.953
+HETATM 6054 H 2 B 382 23.184 16.443 6.784
+HETATM 6055 H 2 B 382 21.394 14.540 4.431
+HETATM 6056 H 2 B 382 22.247 13.413 3.586
+HETATM 6057 C 2 B 383 35.639 29.736 1.765
+HETATM 6058 N 2 B 383 35.064 28.850 0.770
+HETATM 6059 O 2 B 383 35.251 31.080 1.813
+HETATM 6060 N 2 B 383 36.616 29.229 2.709
+HETATM 6061 H 2 B 383 36.777 28.250 2.533
+HETATM 6062 H 2 B 383 37.188 29.530 3.483
+HETATM 6063 H 2 B 383 35.453 27.927 0.878
+HETATM 6064 H 2 B 383 34.405 28.851 0.007
+HETATM 6065 C 2 B 384 28.913 8.009 37.065
+HETATM 6066 N 2 B 384 28.332 8.969 37.985
+HETATM 6067 O 2 B 384 28.535 8.013 35.718
+HETATM 6068 N 2 B 384 29.886 7.045 37.542
+HETATM 6069 H 2 B 384 30.040 7.183 38.529
+HETATM 6070 H 2 B 384 30.460 6.283 37.216
+HETATM 6071 H 2 B 384 28.714 8.825 38.906
+HETATM 6072 H 2 B 384 27.674 9.732 38.009
+HETATM 6073 C 2 B 385 28.548 19.361 14.723
+HETATM 6074 N 2 B 385 29.641 19.002 13.840
+HETATM 6075 O 2 B 385 28.448 18.772 15.989
+HETATM 6076 N 2 B 385 27.557 20.329 14.294
+HETATM 6077 H 2 B 385 27.780 20.649 13.365
+HETATM 6078 H 2 B 385 26.720 20.790 14.616
+HETATM 6079 H 2 B 385 29.558 19.516 12.977
+HETATM 6080 H 2 B 385 30.456 18.410 13.802
+HETATM 6081 C 2 B 386 20.781 24.533 20.680
+HETATM 6082 N 2 B 386 21.358 23.236 20.973
+HETATM 6083 O 2 B 386 21.152 25.217 19.516
+HETATM 6084 N 2 B 386 19.820 25.123 21.592
+HETATM 6085 H 2 B 386 19.670 24.501 22.371
+HETATM 6086 H 2 B 386 19.252 25.948 21.707
+HETATM 6087 H 2 B 386 20.983 22.890 21.843
+HETATM 6088 H 2 B 386 22.009 22.564 20.598
+HETATM 6089 C 2 B 387 26.101 37.615 21.618
+HETATM 6090 N 2 B 387 24.991 36.812 22.093
+HETATM 6091 O 2 B 387 26.371 38.855 22.210
+HETATM 6092 N 2 B 387 26.930 37.135 20.530
+HETATM 6093 H 2 B 387 26.596 36.234 20.225
+HETATM 6094 H 2 B 387 27.729 37.402 19.976
+HETATM 6095 H 2 B 387 24.941 35.958 21.560
+HETATM 6096 H 2 B 387 24.252 36.823 22.780
+HETATM 6097 C 2 B 388 11.680 34.533 23.231
+HETATM 6098 N 2 B 388 10.852 35.723 23.232
+HETATM 6099 O 2 B 388 11.222 33.361 23.846
+HETATM 6100 N 2 B 388 12.983 34.555 22.594
+HETATM 6101 H 2 B 388 13.151 35.470 22.206
+HETATM 6102 H 2 B 388 13.776 33.961 22.411
+HETATM 6103 H 2 B 388 11.333 36.467 22.750
+HETATM 6104 H 2 B 388 9.956 36.055 23.553
+HETATM 6105 C 2 B 389 19.799 8.534 5.601
+HETATM 6106 N 2 B 389 20.780 8.749 4.555
+HETATM 6107 O 2 B 389 18.434 8.662 5.318
+HETATM 6108 N 2 B 389 20.233 8.188 6.941
+HETATM 6109 H 2 B 389 21.239 8.139 6.967
+HETATM 6110 H 2 B 389 19.863 7.979 7.856
+HETATM 6111 H 2 B 389 21.706 8.618 4.930
+HETATM 6112 H 2 B 389 20.844 8.986 3.577
+HETATM 6113 C 2 B 390 33.969 1.315 25.460
+HETATM 6114 N 2 B 390 32.959 1.978 26.262
+HETATM 6115 O 2 B 390 33.643 0.823 24.191
+HETATM 6116 N 2 B 390 35.317 1.161 25.974
+HETATM 6117 H 2 B 390 35.375 1.569 26.893
+HETATM 6118 H 2 B 390 36.215 0.782 25.717
+HETATM 6119 H 2 B 390 33.362 2.266 27.140
+HETATM 6120 H 2 B 390 31.987 2.246 26.234
+HETATM 6121 C 2 B 391 14.359 6.852 14.259
+HETATM 6122 N 2 B 391 13.022 7.147 13.780
+HETATM 6123 O 2 B 391 14.721 7.180 15.571
+HETATM 6124 N 2 B 391 15.321 6.218 13.378
+HETATM 6125 H 2 B 391 14.896 6.054 12.479
+HETATM 6126 H 2 B 391 16.273 5.887 13.366
+HETATM 6127 H 2 B 391 12.934 6.847 12.822
+HETATM 6128 H 2 B 391 12.151 7.552 14.087
+HETATM 6129 C 2 B 392 6.479 23.014 19.918
+HETATM 6130 N 2 B 392 7.756 23.541 20.358
+HETATM 6131 O 2 B 392 5.310 23.761 20.108
+HETATM 6132 N 2 B 392 6.413 21.712 19.282
+HETATM 6133 H 2 B 392 7.338 21.317 19.227
+HETATM 6134 H 2 B 392 5.749 21.070 18.877
+HETATM 6135 H 2 B 392 8.485 22.879 20.146
+HETATM 6136 H 2 B 392 8.158 24.351 20.806
+HETATM 6137 C 2 B 393 11.006 11.256 2.104
+HETATM 6138 N 2 B 393 11.948 12.278 2.517
+HETATM 6139 O 2 B 393 10.090 10.734 3.025
+HETATM 6140 N 2 B 393 11.014 10.773 0.736
+HETATM 6141 H 2 B 393 11.731 11.253 0.215
+HETATM 6142 H 2 B 393 10.541 10.118 0.133
+HETATM 6143 H 2 B 393 12.528 12.537 1.735
+HETATM 6144 H 2 B 393 12.215 12.816 3.327
+HETATM 6145 C 2 B 394 32.418 34.723 14.859
+HETATM 6146 N 2 B 394 32.602 33.300 15.070
+HETATM 6147 O 2 B 394 33.515 35.530 14.533
+HETATM 6148 N 2 B 394 31.098 35.310 14.984
+HETATM 6149 H 2 B 394 30.431 34.591 15.220
+HETATM 6150 H 2 B 394 30.624 36.197 14.913
+HETATM 6151 H 2 B 394 31.715 32.876 15.294
+HETATM 6152 H 2 B 394 33.321 32.593 15.068
+HETATM 6153 C 2 B 395 25.861 23.755 33.063
+HETATM 6154 N 2 B 395 26.907 24.328 33.886
+HETATM 6155 O 2 B 395 26.190 22.879 32.021
+HETATM 6156 N 2 B 395 24.472 24.088 33.318
+HETATM 6157 H 2 B 395 24.417 24.725 34.097
+HETATM 6158 H 2 B 395 23.544 23.894 32.976
+HETATM 6159 H 2 B 395 26.496 24.930 34.582
+HETATM 6160 H 2 B 395 27.910 24.326 33.995
+HETATM 6161 C 2 B 396 36.346 8.134 34.241
+HETATM 6162 N 2 B 396 37.452 7.281 33.853
+HETATM 6163 O 2 B 396 35.662 7.892 35.439
+HETATM 6164 N 2 B 396 35.947 9.237 33.388
+HETATM 6165 H 2 B 396 36.541 9.265 32.574
+HETATM 6166 H 2 B 396 35.273 9.986 33.338
+HETATM 6167 H 2 B 396 37.826 7.595 32.971
+HETATM 6168 H 2 B 396 37.973 6.478 34.172
+HETATM 6169 C 2 B 397 7.470 15.615 25.594
+HETATM 6170 N 2 B 397 6.331 15.326 24.744
+HETATM 6171 O 2 B 397 7.280 15.869 26.957
+HETATM 6172 N 2 B 397 8.807 15.641 25.031
+HETATM 6173 H 2 B 397 8.760 15.439 24.045
+HETATM 6174 H 2 B 397 9.767 15.795 25.298
+HETATM 6175 H 2 B 397 6.647 15.169 23.800
+HETATM 6176 H 2 B 397 5.328 15.229 24.783
+HETATM 6177 C 2 B 398 32.020 29.539 39.141
+HETATM 6178 N 2 B 398 33.278 30.166 39.501
+HETATM 6179 O 2 B 398 32.018 28.337 38.423
+HETATM 6180 N 2 B 398 30.766 30.157 39.525
+HETATM 6181 H 2 B 398 30.951 31.008 40.031
+HETATM 6182 H 2 B 398 29.769 30.018 39.453
+HETATM 6183 H 2 B 398 33.095 31.016 40.011
+HETATM 6184 H 2 B 398 34.273 30.035 39.411
+HETATM 6185 C 2 B 399 37.130 39.320 13.459
+HETATM 6186 N 2 B 399 36.687 39.197 12.084
+HETATM 6187 O 2 B 399 38.317 40.000 13.754
+HETATM 6188 N 2 B 399 36.342 38.738 14.529
+HETATM 6189 H 2 B 399 35.527 38.290 14.141
+HETATM 6190 H 2 B 399 36.339 38.632 15.532
+HETATM 6191 H 2 B 399 35.821 38.682 12.054
+HETATM 6192 H 2 B 399 36.957 39.455 11.147
+HETATM 6193 C 2 B 400 21.143 23.134 28.380
+HETATM 6194 N 2 B 400 22.079 22.882 27.301
+HETATM 6195 O 2 B 400 20.406 24.324 28.403
+HETATM 6196 N 2 B 400 20.972 22.154 29.435
+HETATM 6197 H 2 B 400 21.575 21.365 29.262
+HETATM 6198 H 2 B 400 20.450 21.999 30.283
+HETATM 6199 H 2 B 400 22.520 21.987 27.441
+HETATM 6200 H 2 B 400 22.435 23.304 26.457
+END
diff -r 000000000000 -r 0b8a0ce446f5 test-data/packmol_parameteroutfile_1.txt
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/packmol_parameteroutfile_1.txt Mon Oct 08 05:31:29 2018 -0400
@@ -0,0 +1,18 @@
+# Template for packmol in Galaxy
+#
+
+tolerance 2.0
+nloop 20
+maxit 20
+seed 101
+filetype pdb
+output /tmp/tmprvsgniri/files/000/dataset_2.dat
+
+structure /tmp/tmprvsgniri/files/000/dataset_1.dat
+# Galaxy datasetname - water.pdb
+ number 100
+ radius 1.0
+ resnumbers 0
+ inside cube 0.0 0.0 0.0 40.0
+end structure
+
diff -r 000000000000 -r 0b8a0ce446f5 test-data/packmol_parameteroutfile_2.txt
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/packmol_parameteroutfile_2.txt Mon Oct 08 05:31:29 2018 -0400
@@ -0,0 +1,26 @@
+# Template for packmol in Galaxy
+#
+
+tolerance 2.0
+nloop 20
+maxit 20
+seed -1
+filetype pdb
+output /tmp/tmpgg9o1466/files/000/dataset_5.dat
+
+structure /tmp/tmpgg9o1466/files/000/dataset_1.dat
+# Galaxy datasetname - water.pdb
+ number 1000
+ radius 1.0
+ resnumbers 0
+ inside box 0.0 0.0 0.0 40.0 40.0 40.0
+end structure
+
+structure /tmp/tmpgg9o1466/files/000/dataset_4.dat
+# Galaxy datasetname - urea.pdb
+ number 400
+ radius 1.0
+ resnumbers 0
+ inside box 0.0 0.0 0.0 40.0 40.0 40.0
+end structure
+
diff -r 000000000000 -r 0b8a0ce446f5 test-data/urea.pdb
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/urea.pdb Mon Oct 08 05:31:29 2018 -0400
@@ -0,0 +1,9 @@
+HEADER
+HETATM 1 C 2 2 0.000 0.000 1.400
+HETATM 2 N 2 2 -1.256 0.000 2.125
+HETATM 3 O 2 2 0.000 0.000 0.000
+HETATM 4 N 2 2 1.256 0.000 2.125
+HETATM 5 H 2 2 1.072 0.000 3.116
+HETATM 6 H 2 2 2.252 0.000 1.968
+HETATM 7 H 2 2 -1.072 0.000 3.116
+HETATM 8 H 2 2 -2.252 0.000 1.968
diff -r 000000000000 -r 0b8a0ce446f5 test-data/water.pdb
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/water.pdb Mon Oct 08 05:31:29 2018 -0400
@@ -0,0 +1,10 @@
+HEADER water
+COMPND
+SOURCE
+HETATM 1 H HOH 1 9.626 6.787 12.673
+HETATM 2 H HOH 1 9.626 8.420 12.673
+HETATM 3 O HOH 1 10.203 7.604 12.673
+CONECT 1 3
+CONECT 2 3
+CONECT 3 1 2
+END