Mercurial > repos > chemteam > vmd_hbonds

comparison hbonds/test-data/test.pdb @ 0:8aa5e465b043 draft default tip

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"planemo upload for repository https://github.com/thatchristoph/vmd-cvs-github/tree/master/vmd commit a48d8046b8d9c8093daaa35bfedafa62fc5c5fd9"
author chemteam
date Thu, 24 Oct 2019 07:00:24 -0400
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-1:000000000000 0:8aa5e465b043
1 REMARK DIHEDRAL 6 0 7 11 $FC 60.0
2 REMARK DIHEDRAL 0 7 11 15 $FC -60.0
3 REMARK DIHEDRAL 7 11 15 4 $FC 60.0
4 REMARK DIHEDRAL 11 15 4 6 $FC -60.0
5 REMARK DIHEDRAL 15 4 6 0 $FC 60.0
6 REMARK DIHEDRAL 4 6 0 7 $FC -60.0
7 REMARK DATE: 10/24/19 2:43:11 CREATED BY USER: apache
8 ATOM 1 C1 BGLC 1 -0.782 1.463 0.380 1.00 1.00 CARB
9 ATOM 2 H1 BGLC 1 -0.775 1.400 1.492 1.00 0.00 CARB
10 ATOM 3 O1 BGLC 1 -1.337 2.710 0.046 1.00 0.50 CARB
11 ATOM 4 HO1 BGLC 1 -1.260 2.812 -0.905 1.00 0.00 CARB
12 ATOM 5 C5 BGLC 1 1.162 0.073 0.328 1.00 1.00 CARB
13 ATOM 6 H5 BGLC 1 1.149 0.033 1.445 1.00 0.00 CARB
14 ATOM 7 O5 BGLC 1 0.554 1.297 -0.113 1.00 1.00 CARB
15 ATOM 8 C2 BGLC 1 -1.643 0.339 -0.171 1.00 1.00 CARB
16 ATOM 9 H2 BGLC 1 -1.610 0.391 -1.286 1.00 0.00 CARB
17 ATOM 10 O2 BGLC 1 -3.001 0.466 0.233 1.00 0.50 CARB
18 ATOM 11 HO2 BGLC 1 -3.560 0.732 -0.506 1.00 0.00 CARB
19 ATOM 12 C3 BGLC 1 -1.070 -0.995 0.256 1.00 1.00 CARB
20 ATOM 13 H3 BGLC 1 -1.072 -1.034 1.374 1.00 0.00 CARB
21 ATOM 14 O3 BGLC 1 -1.854 -2.081 -0.221 1.00 0.50 CARB
22 ATOM 15 HO3 BGLC 1 -2.383 -2.412 0.516 1.00 0.00 CARB
23 ATOM 16 C4 BGLC 1 0.358 -1.094 -0.224 1.00 1.00 CARB
24 ATOM 17 H4 BGLC 1 0.373 -1.035 -1.339 1.00 0.00 CARB
25 ATOM 18 O4 BGLC 1 0.954 -2.322 0.160 1.00 0.50 CARB
26 ATOM 19 HO4 BGLC 1 0.664 -2.977 -0.495 1.00 0.00 CARB
27 ATOM 20 C6 BGLC 1 2.604 0.083 -0.133 1.00 1.00 CARB
28 ATOM 21 H61 BGLC 1 3.112 -0.856 0.180 1.00 0.00 CARB
29 ATOM 22 H62 BGLC 1 2.647 0.136 -1.245 1.00 0.00 CARB
30 ATOM 23 O6 BGLC 1 3.319 1.187 0.412 1.00 0.50 CARB
31 ATOM 24 HO6 BGLC 1 2.952 1.993 0.021 1.00 0.00 CARB
32 ATOM 25 OH2 TIP3 1 -1.328 -3.419 -6.761 1.00 0.00 SOLV
33 ATOM 26 H1 TIP3 1 -1.476 -2.452 -6.760 1.00 0.00 SOLV
34 ATOM 27 H2 TIP3 1 -2.081 -3.717 -7.300 1.00 0.00 SOLV
35 ATOM 28 OH2 TIP3 2 -2.751 -4.194 -2.655 1.00 0.00 SOLV
36 ATOM 29 H1 TIP3 2 -2.410 -4.676 -1.878 1.00 0.00 SOLV
37 ATOM 30 H2 TIP3 2 -3.191 -4.916 -3.149 1.00 0.00 SOLV
38 ATOM 31 OH2 TIP3 3 -10.493 -4.811 -1.639 1.00 0.00 SOLV
39 ATOM 32 H1 TIP3 3 -10.464 -5.550 -1.006 1.00 0.00 SOLV
40 ATOM 33 H2 TIP3 3 -9.554 -4.703 -1.869 1.00 0.00 SOLV
41 ATOM 34 OH2 TIP3 4 0.924 -1.390 -4.659 1.00 0.00 SOLV
42 ATOM 35 H1 TIP3 4 0.549 -2.192 -4.247 1.00 0.00 SOLV
43 ATOM 36 H2 TIP3 4 1.486 -1.067 -3.955 1.00 0.00 SOLV
44 ATOM 37 OH2 TIP3 5 -9.421 0.213 -3.466 1.00 0.00 SOLV
45 ATOM 38 H1 TIP3 5 -9.600 -0.715 -3.737 1.00 0.00 SOLV
46 ATOM 39 H2 TIP3 5 -8.730 0.063 -2.806 1.00 0.00 SOLV
47 ATOM 40 OH2 TIP3 6 -13.015 -6.771 -7.637 1.00 0.00 SOLV
48 ATOM 41 H1 TIP3 6 -12.753 -5.927 -7.249 1.00 0.00 SOLV
49 ATOM 42 H2 TIP3 6 -13.837 -6.959 -7.155 1.00 0.00 SOLV
50 ATOM 43 OH2 TIP3 7 -11.908 -4.446 -5.293 1.00 0.00 SOLV
51 ATOM 44 H1 TIP3 7 -11.483 -5.300 -5.075 1.00 0.00 SOLV
52 ATOM 45 H2 TIP3 7 -11.161 -3.835 -5.322 1.00 0.00 SOLV
53 ATOM 46 OH2 TIP3 8 -1.850 4.034 -4.410 1.00 0.00 SOLV
54 ATOM 47 H1 TIP3 8 -1.485 3.263 -4.889 1.00 0.00 SOLV
55 ATOM 48 H2 TIP3 8 -2.319 3.641 -3.665 1.00 0.00 SOLV
56 ATOM 49 OH2 TIP3 9 -3.889 -1.683 -2.187 1.00 0.00 SOLV
57 ATOM 50 H1 TIP3 9 -3.574 -2.521 -2.585 1.00 0.00 SOLV
58 ATOM 51 H2 TIP3 9 -3.180 -1.565 -1.530 1.00 0.00 SOLV
59 ATOM 52 OH2 TIP3 10 4.717 -10.280 -1.662 1.00 0.00 SOLV
60 ATOM 53 H1 TIP3 10 4.865 -9.558 -1.020 1.00 0.00 SOLV
61 ATOM 54 H2 TIP3 10 5.323 -10.024 -2.384 1.00 0.00 SOLV
62 ATOM 55 OH2 TIP3 11 -1.084 -7.429 -2.536 1.00 0.00 SOLV
63 ATOM 56 H1 TIP3 11 -0.997 -8.398 -2.394 1.00 0.00 SOLV
64 ATOM 57 H2 TIP3 11 -1.311 -7.418 -3.486 1.00 0.00 SOLV
65 ATOM 58 OH2 TIP3 12 -7.587 -9.418 -5.123 1.00 0.00 SOLV
66 ATOM 59 H1 TIP3 12 -7.565 -8.554 -5.584 1.00 0.00 SOLV
67 ATOM 60 H2 TIP3 12 -8.016 -9.970 -5.806 1.00 0.00 SOLV
68 ATOM 61 OH2 TIP3 13 0.096 -9.008 -6.840 1.00 0.00 SOLV
69 ATOM 62 H1 TIP3 13 0.581 -9.248 -6.011 1.00 0.00 SOLV
70 ATOM 63 H2 TIP3 13 0.815 -8.572 -7.338 1.00 0.00 SOLV
71 ATOM 64 OH2 TIP3 14 -10.874 -6.888 -4.623 1.00 0.00 SOLV
72 ATOM 65 H1 TIP3 14 -10.349 -7.478 -4.047 1.00 0.00 SOLV
73 ATOM 66 H2 TIP3 14 -10.752 -7.324 -5.494 1.00 0.00 SOLV
74 ATOM 67 OH2 TIP3 15 -6.499 -5.457 -4.649 1.00 0.00 SOLV
75 ATOM 68 H1 TIP3 15 -5.605 -5.788 -4.420 1.00 0.00 SOLV
76 ATOM 69 H2 TIP3 15 -6.824 -6.152 -5.261 1.00 0.00 SOLV
77 ATOM 70 OH2 TIP3 16 4.984 -8.526 0.548 1.00 0.00 SOLV
78 ATOM 71 H1 TIP3 16 4.220 -7.958 0.308 1.00 0.00 SOLV
79 ATOM 72 H2 TIP3 16 5.050 -8.342 1.500 1.00 0.00 SOLV
80 ATOM 73 OH2 TIP3 17 -9.153 -10.247 -0.869 1.00 0.00 SOLV
81 ATOM 74 H1 TIP3 17 -9.474 -9.719 -1.624 1.00 0.00 SOLV
82 ATOM 75 H2 TIP3 17 -9.815 -10.024 -0.182 1.00 0.00 SOLV
83 ATOM 76 OH2 TIP3 18 -1.832 -0.805 -7.507 1.00 0.00 SOLV
84 ATOM 77 H1 TIP3 18 -2.073 -0.871 -8.455 1.00 0.00 SOLV
85 ATOM 78 H2 TIP3 18 -2.333 -0.006 -7.249 1.00 0.00 SOLV
86 ATOM 79 OH2 TIP3 19 -6.390 -2.509 -1.253 1.00 0.00 SOLV
87 ATOM 80 H1 TIP3 19 -6.948 -1.775 -0.908 1.00 0.00 SOLV
88 ATOM 81 H2 TIP3 19 -5.595 -2.024 -1.560 1.00 0.00 SOLV
89 ATOM 82 OH2 TIP3 20 1.435 -9.457 -4.594 1.00 0.00 SOLV
90 ATOM 83 H1 TIP3 20 1.441 -10.309 -4.112 1.00 0.00 SOLV
91 ATOM 84 H2 TIP3 20 1.838 -8.864 -3.929 1.00 0.00 SOLV
92 ATOM 85 OH2 TIP3 21 -9.357 -8.696 -3.163 1.00 0.00 SOLV
93 ATOM 86 H1 TIP3 21 -8.769 -8.111 -2.635 1.00 0.00 SOLV
94 ATOM 87 H2 TIP3 21 -8.709 -9.057 -3.811 1.00 0.00 SOLV
95 ATOM 88 OH2 TIP3 22 -8.007 -0.437 -0.325 1.00 0.00 SOLV
96 ATOM 89 H1 TIP3 22 -7.920 0.536 -0.247 1.00 0.00 SOLV
97 ATOM 90 H2 TIP3 22 -8.922 -0.550 0.002 1.00 0.00 SOLV
98 ATOM 91 OH2 TIP3 23 -11.441 -1.187 -9.053 1.00 0.00 SOLV
99 ATOM 92 H1 TIP3 23 -11.791 -0.694 -9.819 1.00 0.00 SOLV
100 ATOM 93 H2 TIP3 23 -11.912 -0.790 -8.311 1.00 0.00 SOLV
101 ATOM 94 OH2 TIP3 24 2.237 -10.976 -0.624 1.00 0.00 SOLV
102 ATOM 95 H1 TIP3 24 1.569 -11.044 -1.327 1.00 0.00 SOLV
103 ATOM 96 H2 TIP3 24 3.030 -10.770 -1.165 1.00 0.00 SOLV
104 ATOM 97 OH2 TIP3 25 -5.503 -12.769 -4.226 1.00 0.00 SOLV
105 ATOM 98 H1 TIP3 25 -5.181 -13.687 -4.069 1.00 0.00 SOLV
106 ATOM 99 H2 TIP3 25 -6.265 -12.722 -3.627 1.00 0.00 SOLV
107 ATOM 100 OH2 TIP3 26 -0.477 2.432 -6.311 1.00 0.00 SOLV
108 ATOM 101 H1 TIP3 26 -0.049 1.565 -6.505 1.00 0.00 SOLV
109 ATOM 102 H2 TIP3 26 0.335 2.985 -6.219 1.00 0.00 SOLV
110 ATOM 103 OH2 TIP3 27 0.766 0.103 -6.960 1.00 0.00 SOLV
111 ATOM 104 H1 TIP3 27 0.020 -0.373 -7.359 1.00 0.00 SOLV
112 ATOM 105 H2 TIP3 27 0.929 -0.449 -6.165 1.00 0.00 SOLV
113 ATOM 106 OH2 TIP3 28 -2.945 -4.224 -8.912 1.00 0.00 SOLV
114 ATOM 107 H1 TIP3 28 -3.634 -3.572 -9.158 1.00 0.00 SOLV
115 ATOM 108 H2 TIP3 28 -2.366 -4.202 -9.692 1.00 0.00 SOLV
116 ATOM 109 OH2 TIP3 29 -2.911 -5.817 -12.225 1.00 0.00 SOLV
117 ATOM 110 H1 TIP3 29 -2.192 -5.518 -11.641 1.00 0.00 SOLV
118 ATOM 111 H2 TIP3 29 -2.434 -6.106 -13.009 1.00 0.00 SOLV
119 ATOM 112 OH2 TIP3 30 4.083 -4.413 -0.627 1.00 0.00 SOLV
120 ATOM 113 H1 TIP3 30 3.580 -3.592 -0.698 1.00 0.00 SOLV
121 ATOM 114 H2 TIP3 30 4.711 -4.302 -1.375 1.00 0.00 SOLV
122 ATOM 115 OH2 TIP3 31 0.711 -4.038 -8.452 1.00 0.00 SOLV
123 ATOM 116 H1 TIP3 31 0.026 -3.809 -7.779 1.00 0.00 SOLV
124 ATOM 117 H2 TIP3 31 1.373 -4.466 -7.874 1.00 0.00 SOLV
125 ATOM 118 OH2 TIP3 32 0.312 -5.962 1.348 1.00 0.00 SOLV
126 ATOM 119 H1 TIP3 32 0.288 -5.151 1.900 1.00 0.00 SOLV
127 ATOM 120 H2 TIP3 32 -0.376 -5.746 0.678 1.00 0.00 SOLV
128 ATOM 121 OH2 TIP3 33 -7.884 -3.548 -6.107 1.00 0.00 SOLV
129 ATOM 122 H1 TIP3 33 -8.126 -3.979 -6.959 1.00 0.00 SOLV
130 ATOM 123 H2 TIP3 33 -7.345 -4.242 -5.674 1.00 0.00 SOLV
131 ATOM 124 OH2 TIP3 34 -6.178 0.318 -3.586 1.00 0.00 SOLV
132 ATOM 125 H1 TIP3 34 -6.452 0.202 -4.513 1.00 0.00 SOLV
133 ATOM 126 H2 TIP3 34 -5.500 -0.364 -3.466 1.00 0.00 SOLV
134 ATOM 127 OH2 TIP3 35 -7.894 -4.467 -2.468 1.00 0.00 SOLV
135 ATOM 128 H1 TIP3 35 -7.349 -4.726 -3.245 1.00 0.00 SOLV
136 ATOM 129 H2 TIP3 35 -7.328 -3.782 -2.044 1.00 0.00 SOLV
137 ATOM 130 OH2 TIP3 36 -6.691 -0.819 2.255 1.00 0.00 SOLV
138 ATOM 131 H1 TIP3 36 -7.198 -0.063 2.619 1.00 0.00 SOLV
139 ATOM 132 H2 TIP3 36 -6.992 -0.799 1.336 1.00 0.00 SOLV
140 ATOM 133 OH2 TIP3 37 -0.684 -4.942 -10.620 1.00 0.00 SOLV
141 ATOM 134 H1 TIP3 37 -0.159 -4.560 -9.877 1.00 0.00 SOLV
142 ATOM 135 H2 TIP3 37 -0.228 -4.533 -11.391 1.00 0.00 SOLV
143 ATOM 136 OH2 TIP3 38 -9.779 -4.332 1.770 1.00 0.00 SOLV
144 ATOM 137 H1 TIP3 38 -9.642 -3.459 2.197 1.00 0.00 SOLV
145 ATOM 138 H2 TIP3 38 -10.720 -4.260 1.543 1.00 0.00 SOLV
146 ATOM 139 OH2 TIP3 39 -3.076 1.691 -7.126 1.00 0.00 SOLV
147 ATOM 140 H1 TIP3 39 -2.259 2.134 -6.833 1.00 0.00 SOLV
148 ATOM 141 H2 TIP3 39 -3.255 2.132 -7.972 1.00 0.00 SOLV
149 ATOM 142 OH2 TIP3 40 -8.528 1.210 2.646 1.00 0.00 SOLV
150 ATOM 143 H1 TIP3 40 -8.423 1.755 1.846 1.00 0.00 SOLV
151 ATOM 144 H2 TIP3 40 -9.377 1.504 3.012 1.00 0.00 SOLV
152 ATOM 145 OH2 TIP3 41 3.228 -12.753 -10.054 1.00 0.00 SOLV
153 ATOM 146 H1 TIP3 41 2.262 -12.697 -10.170 1.00 0.00 SOLV
154 ATOM 147 H2 TIP3 41 3.552 -12.006 -10.608 1.00 0.00 SOLV
155 ATOM 148 OH2 TIP3 42 -8.570 -4.535 -8.626 1.00 0.00 SOLV
156 ATOM 149 H1 TIP3 42 -9.110 -3.940 -9.192 1.00 0.00 SOLV
157 ATOM 150 H2 TIP3 42 -8.902 -5.397 -8.897 1.00 0.00 SOLV
158 ATOM 151 OH2 TIP3 43 4.314 1.489 -11.915 1.00 0.00 SOLV
159 ATOM 152 H1 TIP3 43 4.527 2.417 -12.122 1.00 0.00 SOLV
160 ATOM 153 H2 TIP3 43 5.188 1.057 -11.958 1.00 0.00 SOLV
161 ATOM 154 OH2 TIP3 44 -12.531 -2.276 0.310 1.00 0.00 SOLV
162 ATOM 155 H1 TIP3 44 -13.147 -2.459 -0.423 1.00 0.00 SOLV
163 ATOM 156 H2 TIP3 44 -12.616 -3.093 0.834 1.00 0.00 SOLV
164 ATOM 157 OH2 TIP3 45 -12.646 0.944 -2.748 1.00 0.00 SOLV
165 ATOM 158 H1 TIP3 45 -11.866 0.618 -3.218 1.00 0.00 SOLV
166 ATOM 159 H2 TIP3 45 -12.239 1.258 -1.914 1.00 0.00 SOLV
167 ATOM 160 OH2 TIP3 46 5.450 2.115 3.280 1.00 0.00 SOLV
168 ATOM 161 H1 TIP3 46 5.227 1.668 2.456 1.00 0.00 SOLV
169 ATOM 162 H2 TIP3 46 4.545 2.243 3.644 1.00 0.00 SOLV
170 ATOM 163 OH2 TIP3 47 -3.312 4.488 -8.546 1.00 0.00 SOLV
171 ATOM 164 H1 TIP3 47 -3.364 4.544 -9.524 1.00 0.00 SOLV
172 ATOM 165 H2 TIP3 47 -3.592 5.381 -8.279 1.00 0.00 SOLV
173 ATOM 166 OH2 TIP3 48 -9.515 4.326 -6.393 1.00 0.00 SOLV
174 ATOM 167 H1 TIP3 48 -9.370 3.886 -5.525 1.00 0.00 SOLV
175 ATOM 168 H2 TIP3 48 -10.035 3.607 -6.828 1.00 0.00 SOLV
176 ATOM 169 OH2 TIP3 49 -0.595 4.197 -11.437 1.00 0.00 SOLV
177 ATOM 170 H1 TIP3 49 -0.035 3.479 -11.803 1.00 0.00 SOLV
178 ATOM 171 H2 TIP3 49 -0.423 4.090 -10.484 1.00 0.00 SOLV
179 ATOM 172 OH2 TIP3 50 -0.581 4.123 -8.680 1.00 0.00 SOLV
180 ATOM 173 H1 TIP3 50 -1.552 4.186 -8.568 1.00 0.00 SOLV
181 ATOM 174 H2 TIP3 50 -0.349 3.489 -7.980 1.00 0.00 SOLV
182 ATOM 175 OH2 TIP3 51 2.142 -7.087 3.307 1.00 0.00 SOLV
183 ATOM 176 H1 TIP3 51 1.497 -6.702 2.688 1.00 0.00 SOLV
184 ATOM 177 H2 TIP3 51 2.148 -8.023 3.028 1.00 0.00 SOLV
185 ATOM 178 OH2 TIP3 52 -10.582 -0.413 0.780 1.00 0.00 SOLV
186 ATOM 179 H1 TIP3 52 -10.251 -0.793 1.620 1.00 0.00 SOLV
187 ATOM 180 H2 TIP3 52 -11.294 -1.062 0.564 1.00 0.00 SOLV
188 ATOM 181 OH2 TIP3 53 -8.006 -12.380 -2.307 1.00 0.00 SOLV
189 ATOM 182 H1 TIP3 53 -8.708 -12.430 -2.996 1.00 0.00 SOLV
190 ATOM 183 H2 TIP3 53 -8.353 -11.637 -1.777 1.00 0.00 SOLV
191 ATOM 184 OH2 TIP3 54 -3.544 -12.178 1.720 1.00 0.00 SOLV
192 ATOM 185 H1 TIP3 54 -3.345 -13.005 2.212 1.00 0.00 SOLV
193 ATOM 186 H2 TIP3 54 -4.273 -12.471 1.141 1.00 0.00 SOLV
194 ATOM 187 OH2 TIP3 55 -0.360 -8.669 1.494 1.00 0.00 SOLV
195 ATOM 188 H1 TIP3 55 -0.930 -8.771 2.292 1.00 0.00 SOLV
196 ATOM 189 H2 TIP3 55 -0.252 -7.699 1.436 1.00 0.00 SOLV
197 ATOM 190 OH2 TIP3 56 0.463 -3.875 -12.885 1.00 0.00 SOLV
198 ATOM 191 H1 TIP3 56 -0.197 -3.608 -13.564 1.00 0.00 SOLV
199 ATOM 192 H2 TIP3 56 0.817 -2.994 -12.653 1.00 0.00 SOLV
200 ATOM 193 OH2 TIP3 57 -3.394 -10.169 -11.891 1.00 0.00 SOLV
201 ATOM 194 H1 TIP3 57 -3.910 -10.419 -11.101 1.00 0.00 SOLV
202 ATOM 195 H2 TIP3 57 -4.117 -9.901 -12.476 1.00 0.00 SOLV
203 ATOM 196 OH2 TIP3 58 -7.901 -7.051 -1.494 1.00 0.00 SOLV
204 ATOM 197 H1 TIP3 58 -8.588 -7.016 -0.793 1.00 0.00 SOLV
205 ATOM 198 H2 TIP3 58 -7.888 -6.118 -1.792 1.00 0.00 SOLV
206 ATOM 199 OH2 TIP3 59 -7.853 -7.075 -6.478 1.00 0.00 SOLV
207 ATOM 200 H1 TIP3 59 -8.820 -7.140 -6.591 1.00 0.00 SOLV
208 ATOM 201 H2 TIP3 59 -7.573 -7.329 -7.385 1.00 0.00 SOLV
209 ATOM 202 OH2 TIP3 60 -2.427 -6.706 -7.842 1.00 0.00 SOLV
210 ATOM 203 H1 TIP3 60 -2.647 -5.802 -8.163 1.00 0.00 SOLV
211 ATOM 204 H2 TIP3 60 -1.761 -6.988 -8.494 1.00 0.00 SOLV
212 ATOM 205 OH2 TIP3 61 -3.118 -6.595 3.165 1.00 0.00 SOLV
213 ATOM 206 H1 TIP3 61 -3.582 -7.348 3.591 1.00 0.00 SOLV
214 ATOM 207 H2 TIP3 61 -2.298 -6.575 3.698 1.00 0.00 SOLV
215 ATOM 208 OH2 TIP3 62 -1.487 -7.349 -5.265 1.00 0.00 SOLV
216 ATOM 209 H1 TIP3 62 -1.911 -6.937 -6.046 1.00 0.00 SOLV
217 ATOM 210 H2 TIP3 62 -0.999 -8.062 -5.723 1.00 0.00 SOLV
218 ATOM 211 OH2 TIP3 63 -10.067 -6.964 0.186 1.00 0.00 SOLV
219 ATOM 212 H1 TIP3 63 -10.015 -6.466 1.015 1.00 0.00 SOLV
220 ATOM 213 H2 TIP3 63 -10.428 -7.822 0.495 1.00 0.00 SOLV
221 ATOM 214 OH2 TIP3 64 -6.091 -9.162 -13.233 1.00 0.00 SOLV
222 ATOM 215 H1 TIP3 64 -6.609 -9.579 -12.519 1.00 0.00 SOLV
223 ATOM 216 H2 TIP3 64 -6.739 -8.534 -13.595 1.00 0.00 SOLV
224 ATOM 217 OH2 TIP3 65 -12.976 -10.182 -6.325 1.00 0.00 SOLV
225 ATOM 218 H1 TIP3 65 -12.615 -10.199 -5.410 1.00 0.00 SOLV
226 ATOM 219 H2 TIP3 65 -12.393 -9.509 -6.697 1.00 0.00 SOLV
227 ATOM 220 OH2 TIP3 66 -12.428 -8.755 -10.567 1.00 0.00 SOLV
228 ATOM 221 H1 TIP3 66 -11.671 -8.268 -10.946 1.00 0.00 SOLV
229 ATOM 222 H2 TIP3 66 -13.038 -8.708 -11.314 1.00 0.00 SOLV
230 ATOM 223 OH2 TIP3 67 -1.733 -5.756 -0.528 1.00 0.00 SOLV
231 ATOM 224 H1 TIP3 67 -1.391 -6.347 -1.243 1.00 0.00 SOLV
232 ATOM 225 H2 TIP3 67 -2.424 -6.337 -0.146 1.00 0.00 SOLV
233 ATOM 226 OH2 TIP3 68 -4.765 -9.255 -5.581 1.00 0.00 SOLV
234 ATOM 227 H1 TIP3 68 -5.671 -9.490 -5.305 1.00 0.00 SOLV
235 ATOM 228 H2 TIP3 68 -4.225 -9.797 -4.972 1.00 0.00 SOLV
236 ATOM 229 OH2 TIP3 69 -10.426 -8.001 -7.084 1.00 0.00 SOLV
237 ATOM 230 H1 TIP3 69 -11.083 -7.780 -7.770 1.00 0.00 SOLV
238 ATOM 231 H2 TIP3 69 -10.059 -8.861 -7.379 1.00 0.00 SOLV
239 ATOM 232 OH2 TIP3 70 -7.271 -7.935 -8.997 1.00 0.00 SOLV
240 ATOM 233 H1 TIP3 70 -6.300 -7.935 -8.861 1.00 0.00 SOLV
241 ATOM 234 H2 TIP3 70 -7.381 -7.396 -9.815 1.00 0.00 SOLV
242 ATOM 235 OH2 TIP3 71 -1.302 -10.125 -2.282 1.00 0.00 SOLV
243 ATOM 236 H1 TIP3 71 -1.799 -10.174 -1.443 1.00 0.00 SOLV
244 ATOM 237 H2 TIP3 71 -1.925 -10.520 -2.917 1.00 0.00 SOLV
245 ATOM 238 OH2 TIP3 72 -7.853 -6.612 -11.276 1.00 0.00 SOLV
246 ATOM 239 H1 TIP3 72 -8.591 -6.811 -11.869 1.00 0.00 SOLV
247 ATOM 240 H2 TIP3 72 -7.147 -6.336 -11.897 1.00 0.00 SOLV
248 ATOM 241 OH2 TIP3 73 2.636 5.209 4.067 1.00 0.00 SOLV
249 ATOM 242 H1 TIP3 73 2.914 5.637 3.239 1.00 0.00 SOLV
250 ATOM 243 H2 TIP3 73 3.357 5.459 4.674 1.00 0.00 SOLV
251 ATOM 244 OH2 TIP3 74 -9.751 -1.890 3.126 1.00 0.00 SOLV
252 ATOM 245 H1 TIP3 74 -8.965 -1.753 3.684 1.00 0.00 SOLV
253 ATOM 246 H2 TIP3 74 -10.462 -1.806 3.791 1.00 0.00 SOLV
254 ATOM 247 OH2 TIP3 75 -4.068 -6.488 -3.645 1.00 0.00 SOLV
255 ATOM 248 H1 TIP3 75 -3.518 -7.086 -4.176 1.00 0.00 SOLV
256 ATOM 249 H2 TIP3 75 -4.410 -7.097 -2.955 1.00 0.00 SOLV
257 ATOM 250 OH2 TIP3 76 -9.110 -10.499 -7.261 1.00 0.00 SOLV
258 ATOM 251 H1 TIP3 76 -9.696 -11.277 -7.164 1.00 0.00 SOLV
259 ATOM 252 H2 TIP3 76 -8.293 -10.916 -7.578 1.00 0.00 SOLV
260 ATOM 253 OH2 TIP3 77 -5.283 -7.935 -1.604 1.00 0.00 SOLV
261 ATOM 254 H1 TIP3 77 -6.138 -7.473 -1.484 1.00 0.00 SOLV
262 ATOM 255 H2 TIP3 77 -4.766 -7.666 -0.815 1.00 0.00 SOLV
263 ATOM 256 OH2 TIP3 78 -4.870 -2.301 -9.572 1.00 0.00 SOLV
264 ATOM 257 H1 TIP3 78 -5.568 -2.768 -10.084 1.00 0.00 SOLV
265 ATOM 258 H2 TIP3 78 -5.353 -2.109 -8.733 1.00 0.00 SOLV
266 ATOM 259 OH2 TIP3 79 -0.709 -9.540 -11.746 1.00 0.00 SOLV
267 ATOM 260 H1 TIP3 79 -1.656 -9.783 -11.859 1.00 0.00 SOLV
268 ATOM 261 H2 TIP3 79 -0.767 -8.795 -11.119 1.00 0.00 SOLV
269 ATOM 262 OH2 TIP3 80 -0.455 -7.576 -9.771 1.00 0.00 SOLV
270 ATOM 263 H1 TIP3 80 0.431 -7.633 -9.366 1.00 0.00 SOLV
271 ATOM 264 H2 TIP3 80 -0.437 -6.678 -10.165 1.00 0.00 SOLV
272 ATOM 265 OH2 TIP3 81 -9.409 -2.506 -4.064 1.00 0.00 SOLV
273 ATOM 266 H1 TIP3 81 -8.906 -2.789 -4.856 1.00 0.00 SOLV
274 ATOM 267 H2 TIP3 81 -9.106 -3.153 -3.409 1.00 0.00 SOLV
275 ATOM 268 OH2 TIP3 82 -2.715 -0.821 -10.086 1.00 0.00 SOLV
276 ATOM 269 H1 TIP3 82 -3.057 0.101 -10.057 1.00 0.00 SOLV
277 ATOM 270 H2 TIP3 82 -3.542 -1.339 -9.964 1.00 0.00 SOLV
278 ATOM 271 OH2 TIP3 83 -12.718 -4.503 1.983 1.00 0.00 SOLV
279 ATOM 272 H1 TIP3 83 -12.360 -4.876 2.816 1.00 0.00 SOLV
280 ATOM 273 H2 TIP3 83 -13.470 -5.102 1.794 1.00 0.00 SOLV
281 ATOM 274 OH2 TIP3 84 -5.227 -4.869 3.526 1.00 0.00 SOLV
282 ATOM 275 H1 TIP3 84 -5.820 -5.113 2.798 1.00 0.00 SOLV
283 ATOM 276 H2 TIP3 84 -4.423 -5.385 3.309 1.00 0.00 SOLV
284 ATOM 277 OH2 TIP3 85 4.344 -6.984 -9.928 1.00 0.00 SOLV
285 ATOM 278 H1 TIP3 85 3.983 -7.202 -10.823 1.00 0.00 SOLV
286 ATOM 279 H2 TIP3 85 4.539 -6.036 -10.097 1.00 0.00 SOLV
287 ATOM 280 OH2 TIP3 86 4.662 -1.369 2.694 1.00 0.00 SOLV
288 ATOM 281 H1 TIP3 86 4.032 -0.647 2.569 1.00 0.00 SOLV
289 ATOM 282 H2 TIP3 86 5.141 -1.387 1.836 1.00 0.00 SOLV
290 ATOM 283 OH2 TIP3 87 3.201 1.637 -9.403 1.00 0.00 SOLV
291 ATOM 284 H1 TIP3 87 2.533 0.963 -9.227 1.00 0.00 SOLV
292 ATOM 285 H2 TIP3 87 3.442 1.456 -10.336 1.00 0.00 SOLV
293 ATOM 286 OH2 TIP3 88 0.151 -3.451 -2.917 1.00 0.00 SOLV
294 ATOM 287 H1 TIP3 88 -0.811 -3.587 -2.878 1.00 0.00 SOLV
295 ATOM 288 H2 TIP3 88 0.444 -4.252 -3.397 1.00 0.00 SOLV
296 ATOM 289 OH2 TIP3 89 -7.178 0.608 -6.301 1.00 0.00 SOLV
297 ATOM 290 H1 TIP3 89 -6.898 0.851 -7.195 1.00 0.00 SOLV
298 ATOM 291 H2 TIP3 89 -8.136 0.521 -6.399 1.00 0.00 SOLV
299 ATOM 292 OH2 TIP3 90 -11.945 -4.474 -11.813 1.00 0.00 SOLV
300 ATOM 293 H1 TIP3 90 -11.270 -4.000 -11.279 1.00 0.00 SOLV
301 ATOM 294 H2 TIP3 90 -12.773 -4.137 -11.427 1.00 0.00 SOLV
302 ATOM 295 OH2 TIP3 91 -6.258 -1.752 -7.358 1.00 0.00 SOLV
303 ATOM 296 H1 TIP3 91 -6.439 -1.001 -6.773 1.00 0.00 SOLV
304 ATOM 297 H2 TIP3 91 -6.828 -2.437 -6.953 1.00 0.00 SOLV
305 ATOM 298 OH2 TIP3 92 -5.058 2.675 -0.460 1.00 0.00 SOLV
306 ATOM 299 H1 TIP3 92 -4.415 3.314 -0.835 1.00 0.00 SOLV
307 ATOM 300 H2 TIP3 92 -4.651 2.495 0.404 1.00 0.00 SOLV
308 ATOM 301 OH2 TIP3 93 -6.875 3.389 -7.313 1.00 0.00 SOLV
309 ATOM 302 H1 TIP3 93 -7.435 2.958 -6.647 1.00 0.00 SOLV
310 ATOM 303 H2 TIP3 93 -5.996 3.276 -6.920 1.00 0.00 SOLV
311 ATOM 304 OH2 TIP3 94 0.801 -1.107 -12.390 1.00 0.00 SOLV
312 ATOM 305 H1 TIP3 94 1.040 -1.172 -11.435 1.00 0.00 SOLV
313 ATOM 306 H2 TIP3 94 -0.155 -0.885 -12.345 1.00 0.00 SOLV
314 ATOM 307 OH2 TIP3 95 5.046 4.178 -11.996 1.00 0.00 SOLV
315 ATOM 308 H1 TIP3 95 5.678 4.839 -11.647 1.00 0.00 SOLV
316 ATOM 309 H2 TIP3 95 4.215 4.561 -11.638 1.00 0.00 SOLV
317 ATOM 310 OH2 TIP3 96 -10.896 -9.434 1.236 1.00 0.00 SOLV
318 ATOM 311 H1 TIP3 96 -11.681 -9.100 1.725 1.00 0.00 SOLV
319 ATOM 312 H2 TIP3 96 -10.718 -10.241 1.752 1.00 0.00 SOLV
320 ATOM 313 OH2 TIP3 97 1.641 -1.802 -9.937 1.00 0.00 SOLV
321 ATOM 314 H1 TIP3 97 1.211 -2.480 -9.386 1.00 0.00 SOLV
322 ATOM 315 H2 TIP3 97 2.562 -1.863 -9.620 1.00 0.00 SOLV
323 ATOM 316 OH2 TIP3 98 -11.295 2.047 -0.566 1.00 0.00 SOLV
324 ATOM 317 H1 TIP3 98 -11.009 1.237 -0.092 1.00 0.00 SOLV
325 ATOM 318 H2 TIP3 98 -11.082 2.735 0.085 1.00 0.00 SOLV
326 ATOM 319 OH2 TIP3 99 -4.922 0.164 -13.084 1.00 0.00 SOLV
327 ATOM 320 H1 TIP3 99 -5.112 -0.273 -13.929 1.00 0.00 SOLV
328 ATOM 321 H2 TIP3 99 -5.795 0.158 -12.662 1.00 0.00 SOLV
329 ATOM 322 OH2 TIP3 100 -6.831 0.357 -10.576 1.00 0.00 SOLV
330 ATOM 323 H1 TIP3 100 -6.165 -0.134 -10.086 1.00 0.00 SOLV
331 ATOM 324 H2 TIP3 100 -6.558 1.289 -10.435 1.00 0.00 SOLV
332 ATOM 325 OH2 TIP3 101 -10.026 -3.067 -10.420 1.00 0.00 SOLV
333 ATOM 326 H1 TIP3 101 -10.450 -2.344 -9.899 1.00 0.00 SOLV
334 ATOM 327 H2 TIP3 101 -9.542 -2.576 -11.109 1.00 0.00 SOLV
335 ATOM 328 OH2 TIP3 102 -2.469 -10.055 0.259 1.00 0.00 SOLV
336 ATOM 329 H1 TIP3 102 -1.628 -9.813 0.693 1.00 0.00 SOLV
337 ATOM 330 H2 TIP3 102 -2.786 -10.806 0.807 1.00 0.00 SOLV
338 ATOM 331 OH2 TIP3 103 -1.221 -10.542 -8.634 1.00 0.00 SOLV
339 ATOM 332 H1 TIP3 103 -1.280 -9.867 -9.326 1.00 0.00 SOLV
340 ATOM 333 H2 TIP3 103 -0.800 -10.014 -7.916 1.00 0.00 SOLV
341 ATOM 334 OH2 TIP3 104 -3.722 1.687 -10.054 1.00 0.00 SOLV
342 ATOM 335 H1 TIP3 104 -4.556 2.196 -10.031 1.00 0.00 SOLV
343 ATOM 336 H2 TIP3 104 -3.370 1.969 -10.923 1.00 0.00 SOLV
344 ATOM 337 OH2 TIP3 105 -4.685 -8.248 -8.105 1.00 0.00 SOLV
345 ATOM 338 H1 TIP3 105 -3.911 -7.649 -8.031 1.00 0.00 SOLV
346 ATOM 339 H2 TIP3 105 -4.724 -8.578 -7.177 1.00 0.00 SOLV
347 ATOM 340 OH2 TIP3 106 -3.591 -7.476 0.539 1.00 0.00 SOLV
348 ATOM 341 H1 TIP3 106 -3.499 -7.242 1.485 1.00 0.00 SOLV
349 ATOM 342 H2 TIP3 106 -3.288 -8.409 0.522 1.00 0.00 SOLV
350 ATOM 343 OH2 TIP3 107 -3.481 -11.775 -7.607 1.00 0.00 SOLV
351 ATOM 344 H1 TIP3 107 -3.450 -11.349 -6.738 1.00 0.00 SOLV
352 ATOM 345 H2 TIP3 107 -2.678 -11.391 -8.022 1.00 0.00 SOLV
353 ATOM 346 OH2 TIP3 108 -6.136 2.942 -9.953 1.00 0.00 SOLV
354 ATOM 347 H1 TIP3 108 -6.147 3.834 -10.365 1.00 0.00 SOLV
355 ATOM 348 H2 TIP3 108 -6.419 3.143 -9.043 1.00 0.00 SOLV
356 ATOM 349 OH2 TIP3 109 -7.513 -10.093 -10.878 1.00 0.00 SOLV
357 ATOM 350 H1 TIP3 109 -7.689 -9.384 -10.233 1.00 0.00 SOLV
358 ATOM 351 H2 TIP3 109 -6.699 -10.472 -10.490 1.00 0.00 SOLV
359 ATOM 352 OH2 TIP3 110 2.170 -9.553 1.836 1.00 0.00 SOLV
360 ATOM 353 H1 TIP3 110 1.212 -9.371 1.730 1.00 0.00 SOLV
361 ATOM 354 H2 TIP3 110 2.360 -9.873 0.933 1.00 0.00 SOLV
362 ATOM 355 OH2 TIP3 111 0.891 -5.817 -4.276 1.00 0.00 SOLV
363 ATOM 356 H1 TIP3 111 0.053 -6.286 -4.430 1.00 0.00 SOLV
364 ATOM 357 H2 TIP3 111 1.367 -6.449 -3.696 1.00 0.00 SOLV
365 ATOM 358 OH2 TIP3 112 -9.327 0.255 -11.721 1.00 0.00 SOLV
366 ATOM 359 H1 TIP3 112 -8.493 0.325 -11.204 1.00 0.00 SOLV
367 ATOM 360 H2 TIP3 112 -9.074 -0.521 -12.260 1.00 0.00 SOLV
368 ATOM 361 OH2 TIP3 113 -10.950 -7.139 -12.294 1.00 0.00 SOLV
369 ATOM 362 H1 TIP3 113 -11.180 -6.195 -12.208 1.00 0.00 SOLV
370 ATOM 363 H2 TIP3 113 -10.956 -7.257 -13.261 1.00 0.00 SOLV
371 ATOM 364 OH2 TIP3 114 2.336 3.703 -2.429 1.00 0.00 SOLV
372 ATOM 365 H1 TIP3 114 2.168 4.366 -3.131 1.00 0.00 SOLV
373 ATOM 366 H2 TIP3 114 3.316 3.695 -2.415 1.00 0.00 SOLV
374 ATOM 367 OH2 TIP3 115 -10.145 -12.514 -4.077 1.00 0.00 SOLV
375 ATOM 368 H1 TIP3 115 -10.223 -12.449 -5.051 1.00 0.00 SOLV
376 ATOM 369 H2 TIP3 115 -10.525 -13.411 -3.963 1.00 0.00 SOLV
377 ATOM 370 OH2 TIP3 116 -10.824 2.284 -7.529 1.00 0.00 SOLV
378 ATOM 371 H1 TIP3 116 -11.619 2.390 -6.973 1.00 0.00 SOLV
379 ATOM 372 H2 TIP3 116 -11.147 2.519 -8.424 1.00 0.00 SOLV
380 ATOM 373 OH2 TIP3 117 -11.656 4.481 4.034 1.00 0.00 SOLV
381 ATOM 374 H1 TIP3 117 -11.068 4.393 4.810 1.00 0.00 SOLV
382 ATOM 375 H2 TIP3 117 -11.611 3.556 3.711 1.00 0.00 SOLV
383 ATOM 376 OH2 TIP3 118 -3.349 2.354 -12.728 1.00 0.00 SOLV
384 ATOM 377 H1 TIP3 118 -4.008 1.647 -12.906 1.00 0.00 SOLV
385 ATOM 378 H2 TIP3 118 -2.787 2.255 -13.512 1.00 0.00 SOLV
386 ATOM 379 OH2 TIP3 119 -0.284 0.799 3.908 1.00 0.00 SOLV
387 ATOM 380 H1 TIP3 119 -0.981 0.304 4.384 1.00 0.00 SOLV
388 ATOM 381 H2 TIP3 119 -0.021 1.417 4.605 1.00 0.00 SOLV
389 ATOM 382 OH2 TIP3 120 1.110 2.233 -12.334 1.00 0.00 SOLV
390 ATOM 383 H1 TIP3 120 1.415 1.326 -12.461 1.00 0.00 SOLV
391 ATOM 384 H2 TIP3 120 1.681 2.731 -12.951 1.00 0.00 SOLV
392 ATOM 385 OH2 TIP3 121 -11.956 -2.146 4.820 1.00 0.00 SOLV
393 ATOM 386 H1 TIP3 121 -11.721 -3.091 4.764 1.00 0.00 SOLV
394 ATOM 387 H2 TIP3 121 -12.840 -2.178 4.400 1.00 0.00 SOLV
395 ATOM 388 OH2 TIP3 122 -8.316 -2.141 -12.574 1.00 0.00 SOLV
396 ATOM 389 H1 TIP3 122 -7.656 -2.628 -12.043 1.00 0.00 SOLV
397 ATOM 390 H2 TIP3 122 -8.148 -2.541 -13.456 1.00 0.00 SOLV
398 ATOM 391 OH2 TIP3 123 -5.629 -2.234 4.359 1.00 0.00 SOLV
399 ATOM 392 H1 TIP3 123 -5.808 -1.683 3.567 1.00 0.00 SOLV
400 ATOM 393 H2 TIP3 123 -5.376 -3.088 3.967 1.00 0.00 SOLV
401 ATOM 394 OH2 TIP3 124 -1.895 -0.865 -12.659 1.00 0.00 SOLV
402 ATOM 395 H1 TIP3 124 -2.200 -0.965 -11.736 1.00 0.00 SOLV
403 ATOM 396 H2 TIP3 124 -2.703 -0.541 -13.087 1.00 0.00 SOLV
404 ATOM 397 OH2 TIP3 125 -11.302 -4.865 4.424 1.00 0.00 SOLV
405 ATOM 398 H1 TIP3 125 -10.375 -5.085 4.251 1.00 0.00 SOLV
406 ATOM 399 H2 TIP3 125 -11.337 -4.847 5.403 1.00 0.00 SOLV
407 ATOM 400 OH2 TIP3 126 -6.740 -3.756 -10.913 1.00 0.00 SOLV
408 ATOM 401 H1 TIP3 126 -7.250 -4.312 -10.301 1.00 0.00 SOLV
409 ATOM 402 H2 TIP3 126 -6.288 -4.433 -11.466 1.00 0.00 SOLV
410 ATOM 403 OH2 TIP3 127 -7.476 -5.897 1.698 1.00 0.00 SOLV
411 ATOM 404 H1 TIP3 127 -8.226 -5.265 1.693 1.00 0.00 SOLV
412 ATOM 405 H2 TIP3 127 -6.847 -5.454 1.084 1.00 0.00 SOLV
413 ATOM 406 OH2 TIP3 128 -5.621 -5.638 -12.573 1.00 0.00 SOLV
414 ATOM 407 H1 TIP3 128 -5.658 -6.067 -13.435 1.00 0.00 SOLV
415 ATOM 408 H2 TIP3 128 -4.651 -5.664 -12.390 1.00 0.00 SOLV
416 ATOM 409 OH2 TIP3 129 -2.192 -3.090 5.101 1.00 0.00 SOLV
417 ATOM 410 H1 TIP3 129 -1.427 -3.629 4.880 1.00 0.00 SOLV
418 ATOM 411 H2 TIP3 129 -2.790 -3.743 5.498 1.00 0.00 SOLV
419 ATOM 412 OH2 TIP3 130 -6.873 -8.434 2.491 1.00 0.00 SOLV
420 ATOM 413 H1 TIP3 130 -6.804 -8.964 1.669 1.00 0.00 SOLV
421 ATOM 414 H2 TIP3 130 -7.087 -7.545 2.125 1.00 0.00 SOLV
422 ATOM 415 OH2 TIP3 131 -6.616 -9.782 0.059 1.00 0.00 SOLV
423 ATOM 416 H1 TIP3 131 -6.152 -9.285 -0.644 1.00 0.00 SOLV
424 ATOM 417 H2 TIP3 131 -7.519 -9.867 -0.315 1.00 0.00 SOLV
425 ATOM 418 OH2 TIP3 132 -5.584 -4.658 0.255 1.00 0.00 SOLV
426 ATOM 419 H1 TIP3 132 -4.652 -4.727 0.027 1.00 0.00 SOLV
427 ATOM 420 H2 TIP3 132 -5.861 -3.860 -0.245 1.00 0.00 SOLV
428 ATOM 421 OH2 TIP3 133 -0.937 -6.780 4.965 1.00 0.00 SOLV
429 ATOM 422 H1 TIP3 133 -0.578 -7.669 4.826 1.00 0.00 SOLV
430 ATOM 423 H2 TIP3 133 -0.146 -6.271 5.222 1.00 0.00 SOLV
431 ATOM 424 OH2 TIP3 134 0.642 -3.787 3.046 1.00 0.00 SOLV
432 ATOM 425 H1 TIP3 134 0.442 -2.972 2.566 1.00 0.00 SOLV
433 ATOM 426 H2 TIP3 134 1.628 -3.752 3.047 1.00 0.00 SOLV
434 ATOM 427 OH2 TIP3 135 -8.456 -7.785 4.785 1.00 0.00 SOLV
435 ATOM 428 H1 TIP3 135 -9.285 -8.302 4.676 1.00 0.00 SOLV
436 ATOM 429 H2 TIP3 135 -8.035 -7.903 3.911 1.00 0.00 SOLV
437 ATOM 430 OH2 TIP3 136 -5.891 -12.425 0.182 1.00 0.00 SOLV
438 ATOM 431 H1 TIP3 136 -6.039 -11.456 0.261 1.00 0.00 SOLV
439 ATOM 432 H2 TIP3 136 -6.143 -12.569 -0.739 1.00 0.00 SOLV
440 ATOM 433 OH2 TIP3 137 -4.588 -8.743 4.050 1.00 0.00 SOLV
441 ATOM 434 H1 TIP3 137 -5.034 -8.932 4.899 1.00 0.00 SOLV
442 ATOM 435 H2 TIP3 137 -5.376 -8.667 3.469 1.00 0.00 SOLV
443 ATOM 436 OH2 TIP3 138 -1.865 -9.284 3.609 1.00 0.00 SOLV
444 ATOM 437 H1 TIP3 138 -2.809 -9.315 3.859 1.00 0.00 SOLV
445 ATOM 438 H2 TIP3 138 -1.453 -9.937 4.209 1.00 0.00 SOLV
446 ATOM 439 OH2 TIP3 139 -0.349 -10.836 5.348 1.00 0.00 SOLV
447 ATOM 440 H1 TIP3 139 -0.696 -11.717 5.521 1.00 0.00 SOLV
448 ATOM 441 H2 TIP3 139 -0.590 -10.354 6.173 1.00 0.00 SOLV
449 ATOM 442 OH2 TIP3 140 -10.542 -9.538 4.619 1.00 0.00 SOLV
450 ATOM 443 H1 TIP3 140 -10.525 -10.310 4.014 1.00 0.00 SOLV
451 ATOM 444 H2 TIP3 140 -10.422 -9.999 5.478 1.00 0.00 SOLV
452 ATOM 445 OH2 TIP3 141 -5.042 -11.613 4.909 1.00 0.00 SOLV
453 ATOM 446 H1 TIP3 141 -4.787 -11.494 3.987 1.00 0.00 SOLV
454 ATOM 447 H2 TIP3 141 -5.685 -10.881 5.064 1.00 0.00 SOLV
455 ATOM 448 OH2 TIP3 142 -5.858 5.537 -10.796 1.00 0.00 SOLV
456 ATOM 449 H1 TIP3 142 -4.909 5.371 -10.990 1.00 0.00 SOLV
457 ATOM 450 H2 TIP3 142 -6.083 6.136 -11.521 1.00 0.00 SOLV
458 ATOM 451 OH2 TIP3 143 -12.106 -0.105 -11.493 1.00 0.00 SOLV
459 ATOM 452 H1 TIP3 143 -11.166 0.172 -11.551 1.00 0.00 SOLV
460 ATOM 453 H2 TIP3 143 -12.245 -0.450 -12.385 1.00 0.00 SOLV
461 ATOM 454 OH2 TIP3 144 -12.439 3.065 -5.306 1.00 0.00 SOLV
462 ATOM 455 H1 TIP3 144 -13.356 2.870 -5.055 1.00 0.00 SOLV
463 ATOM 456 H2 TIP3 144 -12.041 3.204 -4.431 1.00 0.00 SOLV
464 ATOM 457 OH2 TIP3 145 5.045 4.025 -2.139 1.00 0.00 SOLV
465 ATOM 458 H1 TIP3 145 5.172 4.689 -1.436 1.00 0.00 SOLV
466 ATOM 459 H2 TIP3 145 5.918 4.044 -2.569 1.00 0.00 SOLV
467 ATOM 460 OH2 TIP3 146 2.908 -0.847 5.581 1.00 0.00 SOLV
468 ATOM 461 H1 TIP3 146 2.016 -0.662 5.943 1.00 0.00 SOLV
469 ATOM 462 H2 TIP3 146 3.413 -0.101 5.961 1.00 0.00 SOLV
470 ATOM 463 OH2 TIP3 147 4.275 -2.421 -9.040 1.00 0.00 SOLV
471 ATOM 464 H1 TIP3 147 5.011 -1.777 -8.989 1.00 0.00 SOLV
472 ATOM 465 H2 TIP3 147 4.467 -3.000 -8.273 1.00 0.00 SOLV
473 ATOM 466 OH2 TIP3 148 4.844 -4.449 -7.185 1.00 0.00 SOLV
474 ATOM 467 H1 TIP3 148 3.974 -4.787 -6.879 1.00 0.00 SOLV
475 ATOM 468 H2 TIP3 148 5.332 -4.309 -6.348 1.00 0.00 SOLV
476 ATOM 469 OH2 TIP3 149 4.833 -1.503 -2.005 1.00 0.00 SOLV
477 ATOM 470 H1 TIP3 149 5.205 -2.255 -2.502 1.00 0.00 SOLV
478 ATOM 471 H2 TIP3 149 5.144 -0.731 -2.520 1.00 0.00 SOLV
479 ATOM 472 OH2 TIP3 150 4.749 -4.405 -10.838 1.00 0.00 SOLV
480 ATOM 473 H1 TIP3 150 4.067 -4.201 -11.490 1.00 0.00 SOLV
481 ATOM 474 H2 TIP3 150 4.585 -3.691 -10.181 1.00 0.00 SOLV
482 ATOM 475 OH2 TIP3 151 3.398 -7.265 -12.429 1.00 0.00 SOLV
483 ATOM 476 H1 TIP3 151 3.208 -6.694 -13.193 1.00 0.00 SOLV
484 ATOM 477 H2 TIP3 151 2.868 -8.059 -12.649 1.00 0.00 SOLV
485 ATOM 478 OH2 TIP3 152 2.303 -5.529 -6.658 1.00 0.00 SOLV
486 ATOM 479 H1 TIP3 152 2.180 -6.444 -6.956 1.00 0.00 SOLV
487 ATOM 480 H2 TIP3 152 1.841 -5.536 -5.790 1.00 0.00 SOLV
488 ATOM 481 OH2 TIP3 153 -12.830 -3.899 -2.719 1.00 0.00 SOLV
489 ATOM 482 H1 TIP3 153 -12.569 -3.802 -3.654 1.00 0.00 SOLV
490 ATOM 483 H2 TIP3 153 -11.961 -4.025 -2.279 1.00 0.00 SOLV
491 ATOM 484 OH2 TIP3 154 3.333 -3.700 3.131 1.00 0.00 SOLV
492 ATOM 485 H1 TIP3 154 3.930 -4.434 2.871 1.00 0.00 SOLV
493 ATOM 486 H2 TIP3 154 3.868 -2.903 2.923 1.00 0.00 SOLV
494 ATOM 487 OH2 TIP3 155 4.627 -6.064 2.790 1.00 0.00 SOLV
495 ATOM 488 H1 TIP3 155 3.737 -6.425 2.992 1.00 0.00 SOLV
496 ATOM 489 H2 TIP3 155 5.186 -6.803 3.112 1.00 0.00 SOLV
497 ATOM 490 OH2 TIP3 156 1.765 -9.431 -12.899 1.00 0.00 SOLV
498 ATOM 491 H1 TIP3 156 2.326 -10.124 -12.513 1.00 0.00 SOLV
499 ATOM 492 H2 TIP3 156 0.923 -9.555 -12.407 1.00 0.00 SOLV
500 ATOM 493 OH2 TIP3 157 2.135 -7.961 -8.406 1.00 0.00 SOLV
501 ATOM 494 H1 TIP3 157 2.476 -8.881 -8.305 1.00 0.00 SOLV
502 ATOM 495 H2 TIP3 157 2.880 -7.561 -8.898 1.00 0.00 SOLV
503 ATOM 496 OH2 TIP3 158 2.511 -7.594 -2.824 1.00 0.00 SOLV
504 ATOM 497 H1 TIP3 158 3.481 -7.513 -2.971 1.00 0.00 SOLV
505 ATOM 498 H2 TIP3 158 2.478 -7.453 -1.859 1.00 0.00 SOLV
506 ATOM 499 OH2 TIP3 159 2.866 -6.825 -0.119 1.00 0.00 SOLV
507 ATOM 500 H1 TIP3 159 2.034 -6.558 0.304 1.00 0.00 SOLV
508 ATOM 501 H2 TIP3 159 3.305 -5.955 -0.256 1.00 0.00 SOLV
509 ATOM 502 OH2 TIP3 160 -12.706 -8.697 3.225 1.00 0.00 SOLV
510 ATOM 503 H1 TIP3 160 -11.949 -8.902 3.807 1.00 0.00 SOLV
511 ATOM 504 H2 TIP3 160 -13.443 -8.930 3.825 1.00 0.00 SOLV
512 ATOM 505 OH2 TIP3 161 5.760 -12.221 4.939 1.00 0.00 SOLV
513 ATOM 506 H1 TIP3 161 5.341 -13.081 4.720 1.00 0.00 SOLV
514 ATOM 507 H2 TIP3 161 5.254 -11.617 4.353 1.00 0.00 SOLV
515 ATOM 508 OH2 TIP3 162 2.941 -10.597 -8.043 1.00 0.00 SOLV
516 ATOM 509 H1 TIP3 162 2.997 -11.030 -7.172 1.00 0.00 SOLV
517 ATOM 510 H2 TIP3 162 2.663 -11.335 -8.605 1.00 0.00 SOLV
518 ATOM 511 OH2 TIP3 163 -11.634 -10.172 -3.966 1.00 0.00 SOLV
519 ATOM 512 H1 TIP3 163 -11.178 -11.024 -3.827 1.00 0.00 SOLV
520 ATOM 513 H2 TIP3 163 -11.017 -9.558 -3.535 1.00 0.00 SOLV
521 ATOM 514 OH2 TIP3 164 -13.299 -6.551 -3.242 1.00 0.00 SOLV
522 ATOM 515 H1 TIP3 164 -12.420 -6.777 -3.595 1.00 0.00 SOLV
523 ATOM 516 H2 TIP3 164 -13.143 -5.644 -2.909 1.00 0.00 SOLV
524 ATOM 517 OH2 TIP3 165 4.341 -10.706 3.193 1.00 0.00 SOLV
525 ATOM 518 H1 TIP3 165 3.495 -10.231 3.065 1.00 0.00 SOLV
526 ATOM 519 H2 TIP3 165 4.254 -11.364 2.470 1.00 0.00 SOLV
527 ATOM 520 OH2 TIP3 166 4.104 -10.650 -11.515 1.00 0.00 SOLV
528 ATOM 521 H1 TIP3 166 4.358 -10.857 -12.432 1.00 0.00 SOLV
529 ATOM 522 H2 TIP3 166 4.901 -10.189 -11.189 1.00 0.00 SOLV
530 ATOM 523 OH2 TIP3 167 -13.359 -11.011 -9.300 1.00 0.00 SOLV
531 ATOM 524 H1 TIP3 167 -13.347 -10.839 -8.353 1.00 0.00 SOLV
532 ATOM 525 H2 TIP3 167 -12.833 -10.256 -9.656 1.00 0.00 SOLV
533 ATOM 526 OH2 TIP3 168 1.621 4.126 -6.440 1.00 0.00 SOLV
534 ATOM 527 H1 TIP3 168 2.350 4.151 -7.092 1.00 0.00 SOLV
535 ATOM 528 H2 TIP3 168 1.977 4.657 -5.709 1.00 0.00 SOLV
536 ATOM 529 OH2 TIP3 169 -11.263 1.784 3.683 1.00 0.00 SOLV
537 ATOM 530 H1 TIP3 169 -11.857 1.153 3.260 1.00 0.00 SOLV
538 ATOM 531 H2 TIP3 169 -11.496 1.661 4.616 1.00 0.00 SOLV
539 ATOM 532 OH2 TIP3 170 -7.778 2.304 0.121 1.00 0.00 SOLV
540 ATOM 533 H1 TIP3 170 -8.022 3.237 -0.054 1.00 0.00 SOLV
541 ATOM 534 H2 TIP3 170 -6.805 2.368 0.043 1.00 0.00 SOLV
542 ATOM 535 OH2 TIP3 171 -4.191 3.801 2.993 1.00 0.00 SOLV
543 ATOM 536 H1 TIP3 171 -3.988 3.179 3.732 1.00 0.00 SOLV
544 ATOM 537 H2 TIP3 171 -3.302 4.158 2.819 1.00 0.00 SOLV
545 ATOM 538 OH2 TIP3 172 -1.726 4.911 2.383 1.00 0.00 SOLV
546 ATOM 539 H1 TIP3 172 -1.198 4.217 1.959 1.00 0.00 SOLV
547 ATOM 540 H2 TIP3 172 -1.160 5.171 3.144 1.00 0.00 SOLV
548 ATOM 541 OH2 TIP3 173 3.707 -12.474 1.191 1.00 0.00 SOLV
549 ATOM 542 H1 TIP3 173 3.086 -11.963 0.627 1.00 0.00 SOLV
550 ATOM 543 H2 TIP3 173 3.170 -13.246 1.413 1.00 0.00 SOLV
551 ATOM 544 OH2 TIP3 174 -11.075 5.258 0.481 1.00 0.00 SOLV
552 ATOM 545 H1 TIP3 174 -12.024 5.460 0.371 1.00 0.00 SOLV
553 ATOM 546 H2 TIP3 174 -10.873 5.799 1.266 1.00 0.00 SOLV
554 ATOM 547 OH2 TIP3 175 -8.381 4.946 -0.408 1.00 0.00 SOLV
555 ATOM 548 H1 TIP3 175 -9.318 5.091 -0.160 1.00 0.00 SOLV
556 ATOM 549 H2 TIP3 175 -8.327 5.429 -1.257 1.00 0.00 SOLV
557 ATOM 550 OH2 TIP3 176 -3.485 4.572 -1.755 1.00 0.00 SOLV
558 ATOM 551 H1 TIP3 176 -4.004 5.181 -2.291 1.00 0.00 SOLV
559 ATOM 552 H2 TIP3 176 -3.215 5.151 -1.009 1.00 0.00 SOLV
560 ATOM 553 OH2 TIP3 177 1.659 4.839 -0.068 1.00 0.00 SOLV
561 ATOM 554 H1 TIP3 177 1.219 5.576 -0.500 1.00 0.00 SOLV
562 ATOM 555 H2 TIP3 177 1.799 4.240 -0.835 1.00 0.00 SOLV
563 ATOM 556 OH2 TIP3 178 -11.124 3.706 -2.866 1.00 0.00 SOLV
564 ATOM 557 H1 TIP3 178 -11.219 3.218 -2.024 1.00 0.00 SOLV
565 ATOM 558 H2 TIP3 178 -10.270 3.358 -3.193 1.00 0.00 SOLV
566 ATOM 559 OH2 TIP3 179 -8.860 2.816 -4.192 1.00 0.00 SOLV
567 ATOM 560 H1 TIP3 179 -9.043 1.862 -4.026 1.00 0.00 SOLV
568 ATOM 561 H2 TIP3 179 -7.997 2.919 -3.734 1.00 0.00 SOLV
569 ATOM 562 OH2 TIP3 180 -6.406 2.956 -2.983 1.00 0.00 SOLV
570 ATOM 563 H1 TIP3 180 -6.239 2.010 -3.206 1.00 0.00 SOLV
571 ATOM 564 H2 TIP3 180 -6.068 2.961 -2.068 1.00 0.00 SOLV
572 ATOM 565 OH2 TIP3 181 -3.172 -11.161 -4.284 1.00 0.00 SOLV
573 ATOM 566 H1 TIP3 181 -3.880 -11.828 -4.179 1.00 0.00 SOLV
574 ATOM 567 H2 TIP3 181 -2.413 -11.702 -4.601 1.00 0.00 SOLV
575 ATOM 568 OH2 TIP3 182 1.978 -11.939 -3.572 1.00 0.00 SOLV
576 ATOM 569 H1 TIP3 182 2.654 -11.949 -4.275 1.00 0.00 SOLV
577 ATOM 570 H2 TIP3 182 1.590 -12.827 -3.688 1.00 0.00 SOLV
578 ATOM 571 OH2 TIP3 183 3.694 -12.250 -5.772 1.00 0.00 SOLV
579 ATOM 572 H1 TIP3 183 4.326 -12.978 -5.758 1.00 0.00 SOLV
580 ATOM 573 H2 TIP3 183 4.317 -11.481 -5.744 1.00 0.00 SOLV
581 ATOM 574 OH2 TIP3 184 -10.773 -12.735 -6.777 1.00 0.00 SOLV
582 ATOM 575 H1 TIP3 184 -11.736 -12.834 -6.687 1.00 0.00 SOLV
583 ATOM 576 H2 TIP3 184 -10.546 -13.565 -7.230 1.00 0.00 SOLV
584 ATOM 577 OH2 TIP3 185 -12.140 -12.787 -11.246 1.00 0.00 SOLV
585 ATOM 578 H1 TIP3 185 -11.348 -12.238 -11.439 1.00 0.00 SOLV
586 ATOM 579 H2 TIP3 185 -12.526 -12.295 -10.496 1.00 0.00 SOLV
587 ATOM 580 OH2 TIP3 186 -6.277 -11.982 -6.826 1.00 0.00 SOLV
588 ATOM 581 H1 TIP3 186 -5.385 -12.148 -7.163 1.00 0.00 SOLV
589 ATOM 582 H2 TIP3 186 -6.180 -12.292 -5.906 1.00 0.00 SOLV
590 ATOM 583 OH2 TIP3 187 -0.979 -12.515 -5.234 1.00 0.00 SOLV
591 ATOM 584 H1 TIP3 187 -0.332 -12.294 -5.912 1.00 0.00 SOLV
592 ATOM 585 H2 TIP3 187 -0.468 -13.143 -4.699 1.00 0.00 SOLV
593 ATOM 586 OH2 TIP3 188 0.551 -12.534 -9.474 1.00 0.00 SOLV
594 ATOM 587 H1 TIP3 188 -0.085 -11.809 -9.322 1.00 0.00 SOLV
595 ATOM 588 H2 TIP3 188 0.698 -12.870 -8.560 1.00 0.00 SOLV
596 ATOM 589 OH2 TIP3 189 -11.598 3.468 -9.915 1.00 0.00 SOLV
597 ATOM 590 H1 TIP3 189 -12.513 3.138 -10.036 1.00 0.00 SOLV
598 ATOM 591 H2 TIP3 189 -11.750 4.433 -9.995 1.00 0.00 SOLV
599 ATOM 592 OH2 TIP3 190 -9.945 -11.262 -11.855 1.00 0.00 SOLV
600 ATOM 593 H1 TIP3 190 -9.763 -11.011 -12.771 1.00 0.00 SOLV
601 ATOM 594 H2 TIP3 190 -9.137 -10.940 -11.409 1.00 0.00 SOLV
602 ATOM 595 OH2 TIP3 191 -5.014 -10.490 -9.657 1.00 0.00 SOLV
603 ATOM 596 H1 TIP3 191 -4.724 -11.115 -8.970 1.00 0.00 SOLV
604 ATOM 597 H2 TIP3 191 -4.914 -9.644 -9.170 1.00 0.00 SOLV
605 ATOM 598 OH2 TIP3 192 -3.286 4.678 -11.287 1.00 0.00 SOLV
606 ATOM 599 H1 TIP3 192 -2.308 4.753 -11.383 1.00 0.00 SOLV
607 ATOM 600 H2 TIP3 192 -3.415 3.924 -11.904 1.00 0.00 SOLV
608 ATOM 601 OH2 TIP3 193 3.637 4.110 -8.391 1.00 0.00 SOLV
609 ATOM 602 H1 TIP3 193 3.487 3.182 -8.697 1.00 0.00 SOLV
610 ATOM 603 H2 TIP3 193 3.478 4.599 -9.223 1.00 0.00 SOLV
611 ATOM 604 OH2 TIP3 194 -10.466 -11.734 3.004 1.00 0.00 SOLV
612 ATOM 605 H1 TIP3 194 -11.148 -12.394 2.839 1.00 0.00 SOLV
613 ATOM 606 H2 TIP3 194 -9.833 -12.233 3.568 1.00 0.00 SOLV
614 ATOM 607 OH2 TIP3 195 -8.668 -13.132 4.613 1.00 0.00 SOLV
615 ATOM 608 H1 TIP3 195 -7.724 -13.115 4.818 1.00 0.00 SOLV
616 ATOM 609 H2 TIP3 195 -8.843 -14.091 4.720 1.00 0.00 SOLV
617 ATOM 610 OH2 TIP3 196 -9.877 2.972 -12.209 1.00 0.00 SOLV
618 ATOM 611 H1 TIP3 196 -10.420 3.105 -11.414 1.00 0.00 SOLV
619 ATOM 612 H2 TIP3 196 -9.584 2.051 -12.099 1.00 0.00 SOLV
620 ATOM 613 OH2 TIP3 197 2.782 2.477 3.757 1.00 0.00 SOLV
621 ATOM 614 H1 TIP3 197 2.030 2.176 3.227 1.00 0.00 SOLV
622 ATOM 615 H2 TIP3 197 2.600 3.436 3.850 1.00 0.00 SOLV
623 ATOM 616 OH2 TIP3 198 8.272 -4.852 -1.564 1.00 0.00 SOLV
624 ATOM 617 H1 TIP3 198 8.352 -5.492 -0.832 1.00 0.00 SOLV
625 ATOM 618 H2 TIP3 198 9.212 -4.688 -1.781 1.00 0.00 SOLV
626 ATOM 619 OH2 TIP3 199 9.472 -0.277 -3.405 1.00 0.00 SOLV
627 ATOM 620 H1 TIP3 199 9.097 -1.142 -3.648 1.00 0.00 SOLV
628 ATOM 621 H2 TIP3 199 10.416 -0.510 -3.283 1.00 0.00 SOLV
629 ATOM 622 OH2 TIP3 200 6.309 -6.745 -7.934 1.00 0.00 SOLV
630 ATOM 623 H1 TIP3 200 6.014 -5.855 -7.663 1.00 0.00 SOLV
631 ATOM 624 H2 TIP3 200 5.575 -6.984 -8.526 1.00 0.00 SOLV
632 ATOM 625 OH2 TIP3 201 6.819 -4.340 -5.135 1.00 0.00 SOLV
633 ATOM 626 H1 TIP3 201 7.147 -5.251 -4.985 1.00 0.00 SOLV
634 ATOM 627 H2 TIP3 201 7.629 -3.811 -4.965 1.00 0.00 SOLV
635 ATOM 628 OH2 TIP3 202 10.688 -9.743 -5.177 1.00 0.00 SOLV
636 ATOM 629 H1 TIP3 202 11.269 -9.088 -5.598 1.00 0.00 SOLV
637 ATOM 630 H2 TIP3 202 10.236 -10.123 -5.954 1.00 0.00 SOLV
638 ATOM 631 OH2 TIP3 203 7.562 -6.949 -4.507 1.00 0.00 SOLV
639 ATOM 632 H1 TIP3 203 8.163 -7.439 -3.914 1.00 0.00 SOLV
640 ATOM 633 H2 TIP3 203 7.908 -7.240 -5.377 1.00 0.00 SOLV
641 ATOM 634 OH2 TIP3 204 11.792 -5.502 -4.788 1.00 0.00 SOLV
642 ATOM 635 H1 TIP3 204 12.496 -5.930 -4.247 1.00 0.00 SOLV
643 ATOM 636 H2 TIP3 204 11.623 -6.221 -5.426 1.00 0.00 SOLV
644 ATOM 637 OH2 TIP3 205 9.647 -10.209 -0.849 1.00 0.00 SOLV
645 ATOM 638 H1 TIP3 205 9.353 -9.675 -1.611 1.00 0.00 SOLV
646 ATOM 639 H2 TIP3 205 8.951 -9.984 -0.193 1.00 0.00 SOLV
647 ATOM 640 OH2 TIP3 206 12.001 -2.423 -1.177 1.00 0.00 SOLV
648 ATOM 641 H1 TIP3 206 11.604 -1.699 -0.646 1.00 0.00 SOLV
649 ATOM 642 H2 TIP3 206 12.216 -1.928 -1.996 1.00 0.00 SOLV
650 ATOM 643 OH2 TIP3 207 9.265 -8.698 -3.134 1.00 0.00 SOLV
651 ATOM 644 H1 TIP3 207 9.934 -8.184 -2.626 1.00 0.00 SOLV
652 ATOM 645 H2 TIP3 207 9.839 -9.123 -3.819 1.00 0.00 SOLV
653 ATOM 646 OH2 TIP3 208 10.820 -0.378 0.135 1.00 0.00 SOLV
654 ATOM 647 H1 TIP3 208 10.893 0.580 -0.063 1.00 0.00 SOLV
655 ATOM 648 H2 TIP3 208 9.863 -0.440 0.335 1.00 0.00 SOLV
656 ATOM 649 OH2 TIP3 209 6.562 -0.772 -9.219 1.00 0.00 SOLV
657 ATOM 650 H1 TIP3 209 6.498 -0.288 -10.065 1.00 0.00 SOLV
658 ATOM 651 H2 TIP3 209 6.771 -0.045 -8.595 1.00 0.00 SOLV
659 ATOM 652 OH2 TIP3 210 11.032 -3.281 -6.238 1.00 0.00 SOLV
660 ATOM 653 H1 TIP3 210 10.863 -3.594 -7.150 1.00 0.00 SOLV
661 ATOM 654 H2 TIP3 210 11.448 -4.068 -5.825 1.00 0.00 SOLV
662 ATOM 655 OH2 TIP3 211 12.242 -0.743 -3.316 1.00 0.00 SOLV
663 ATOM 656 H1 TIP3 211 12.461 -1.040 -4.224 1.00 0.00 SOLV
664 ATOM 657 H2 TIP3 211 13.017 -0.161 -3.143 1.00 0.00 SOLV
665 ATOM 658 OH2 TIP3 212 10.890 -4.601 -2.305 1.00 0.00 SOLV
666 ATOM 659 H1 TIP3 212 11.370 -4.755 -3.146 1.00 0.00 SOLV
667 ATOM 660 H2 TIP3 212 11.429 -3.872 -1.909 1.00 0.00 SOLV
668 ATOM 661 OH2 TIP3 213 12.196 -0.205 2.517 1.00 0.00 SOLV
669 ATOM 662 H1 TIP3 213 11.607 0.532 2.783 1.00 0.00 SOLV
670 ATOM 663 H2 TIP3 213 11.865 -0.358 1.608 1.00 0.00 SOLV
671 ATOM 664 OH2 TIP3 214 9.239 -4.397 2.000 1.00 0.00 SOLV
672 ATOM 665 H1 TIP3 214 9.302 -3.490 2.364 1.00 0.00 SOLV
673 ATOM 666 H2 TIP3 214 8.339 -4.363 1.614 1.00 0.00 SOLV
674 ATOM 667 OH2 TIP3 215 10.326 1.756 2.870 1.00 0.00 SOLV
675 ATOM 668 H1 TIP3 215 10.191 1.977 1.933 1.00 0.00 SOLV
676 ATOM 669 H2 TIP3 215 9.421 1.499 3.167 1.00 0.00 SOLV
677 ATOM 670 OH2 TIP3 216 10.242 -4.221 -8.781 1.00 0.00 SOLV
678 ATOM 671 H1 TIP3 216 9.650 -3.562 -9.209 1.00 0.00 SOLV
679 ATOM 672 H2 TIP3 216 9.683 -5.006 -8.797 1.00 0.00 SOLV
680 ATOM 673 OH2 TIP3 217 6.073 -1.813 0.430 1.00 0.00 SOLV
681 ATOM 674 H1 TIP3 217 5.643 -1.755 -0.452 1.00 0.00 SOLV
682 ATOM 675 H2 TIP3 217 6.234 -2.775 0.528 1.00 0.00 SOLV
683 ATOM 676 OH2 TIP3 218 6.035 0.831 -2.962 1.00 0.00 SOLV
684 ATOM 677 H1 TIP3 218 6.984 0.722 -2.808 1.00 0.00 SOLV
685 ATOM 678 H2 TIP3 218 5.787 1.427 -2.237 1.00 0.00 SOLV
686 ATOM 679 OH2 TIP3 219 8.987 3.364 -6.646 1.00 0.00 SOLV
687 ATOM 680 H1 TIP3 219 9.198 3.002 -5.757 1.00 0.00 SOLV
688 ATOM 681 H2 TIP3 219 8.366 2.684 -6.978 1.00 0.00 SOLV
689 ATOM 682 OH2 TIP3 220 8.221 -0.220 1.004 1.00 0.00 SOLV
690 ATOM 683 H1 TIP3 220 8.448 -0.619 1.866 1.00 0.00 SOLV
691 ATOM 684 H2 TIP3 220 7.434 -0.759 0.766 1.00 0.00 SOLV
692 ATOM 685 OH2 TIP3 221 10.578 -12.465 -2.132 1.00 0.00 SOLV
693 ATOM 686 H1 TIP3 221 10.015 -12.396 -2.926 1.00 0.00 SOLV
694 ATOM 687 H2 TIP3 221 10.280 -11.664 -1.649 1.00 0.00 SOLV
695 ATOM 688 OH2 TIP3 222 10.764 -7.261 -1.382 1.00 0.00 SOLV
696 ATOM 689 H1 TIP3 222 10.094 -7.095 -0.685 1.00 0.00 SOLV
697 ATOM 690 H2 TIP3 222 10.934 -6.362 -1.719 1.00 0.00 SOLV
698 ATOM 691 OH2 TIP3 223 11.323 -7.444 -6.697 1.00 0.00 SOLV
699 ATOM 692 H1 TIP3 223 10.341 -7.434 -6.657 1.00 0.00 SOLV
700 ATOM 693 H2 TIP3 223 11.441 -7.757 -7.622 1.00 0.00 SOLV
701 ATOM 694 OH2 TIP3 224 8.697 -6.854 0.360 1.00 0.00 SOLV
702 ATOM 695 H1 TIP3 224 8.777 -6.523 1.267 1.00 0.00 SOLV
703 ATOM 696 H2 TIP3 224 8.319 -7.747 0.514 1.00 0.00 SOLV
704 ATOM 697 OH2 TIP3 225 12.157 -8.861 -12.640 1.00 0.00 SOLV
705 ATOM 698 H1 TIP3 225 11.872 -9.595 -12.068 1.00 0.00 SOLV
706 ATOM 699 H2 TIP3 225 11.577 -8.963 -13.403 1.00 0.00 SOLV
707 ATOM 700 OH2 TIP3 226 5.436 -10.229 -5.785 1.00 0.00 SOLV
708 ATOM 701 H1 TIP3 226 5.911 -10.142 -4.932 1.00 0.00 SOLV
709 ATOM 702 H2 TIP3 226 5.793 -9.495 -6.286 1.00 0.00 SOLV
710 ATOM 703 OH2 TIP3 227 6.126 -9.121 -10.378 1.00 0.00 SOLV
711 ATOM 704 H1 TIP3 227 6.838 -8.702 -10.908 1.00 0.00 SOLV
712 ATOM 705 H2 TIP3 227 5.567 -8.345 -10.186 1.00 0.00 SOLV
713 ATOM 706 OH2 TIP3 228 8.610 -7.806 -6.882 1.00 0.00 SOLV
714 ATOM 707 H1 TIP3 228 7.830 -7.494 -7.397 1.00 0.00 SOLV
715 ATOM 708 H2 TIP3 228 8.670 -8.749 -7.145 1.00 0.00 SOLV
716 ATOM 709 OH2 TIP3 229 11.913 -7.904 -9.311 1.00 0.00 SOLV
717 ATOM 710 H1 TIP3 229 12.868 -7.713 -9.234 1.00 0.00 SOLV
718 ATOM 711 H2 TIP3 229 11.658 -7.293 -10.035 1.00 0.00 SOLV
719 ATOM 712 OH2 TIP3 230 11.141 -6.524 -11.578 1.00 0.00 SOLV
720 ATOM 713 H1 TIP3 230 10.233 -6.574 -11.892 1.00 0.00 SOLV
721 ATOM 714 H2 TIP3 230 11.581 -7.205 -12.136 1.00 0.00 SOLV
722 ATOM 715 OH2 TIP3 231 8.990 -1.946 3.307 1.00 0.00 SOLV
723 ATOM 716 H1 TIP3 231 9.637 -2.031 4.033 1.00 0.00 SOLV
724 ATOM 717 H2 TIP3 231 8.188 -1.710 3.813 1.00 0.00 SOLV
725 ATOM 718 OH2 TIP3 232 9.296 -10.427 -7.516 1.00 0.00 SOLV
726 ATOM 719 H1 TIP3 232 8.896 -11.293 -7.276 1.00 0.00 SOLV
727 ATOM 720 H2 TIP3 232 9.645 -10.624 -8.396 1.00 0.00 SOLV
728 ATOM 721 OH2 TIP3 233 9.095 -3.000 -4.260 1.00 0.00 SOLV
729 ATOM 722 H1 TIP3 233 9.748 -3.013 -4.993 1.00 0.00 SOLV
730 ATOM 723 H2 TIP3 233 9.556 -3.501 -3.571 1.00 0.00 SOLV
731 ATOM 724 OH2 TIP3 234 6.499 -4.445 1.355 1.00 0.00 SOLV
732 ATOM 725 H1 TIP3 234 6.342 -4.734 2.274 1.00 0.00 SOLV
733 ATOM 726 H2 TIP3 234 5.768 -4.899 0.907 1.00 0.00 SOLV
734 ATOM 727 OH2 TIP3 235 11.523 1.017 -6.837 1.00 0.00 SOLV
735 ATOM 728 H1 TIP3 235 11.610 1.856 -7.324 1.00 0.00 SOLV
736 ATOM 729 H2 TIP3 235 10.682 1.139 -6.386 1.00 0.00 SOLV
737 ATOM 730 OH2 TIP3 236 7.433 -4.762 -11.538 1.00 0.00 SOLV
738 ATOM 731 H1 TIP3 236 7.894 -4.028 -11.078 1.00 0.00 SOLV
739 ATOM 732 H2 TIP3 236 6.531 -4.674 -11.164 1.00 0.00 SOLV
740 ATOM 733 OH2 TIP3 237 12.855 -1.202 -5.918 1.00 0.00 SOLV
741 ATOM 734 H1 TIP3 237 12.393 -0.412 -6.274 1.00 0.00 SOLV
742 ATOM 735 H2 TIP3 237 12.224 -1.919 -6.122 1.00 0.00 SOLV
743 ATOM 736 OH2 TIP3 238 11.485 3.695 -7.775 1.00 0.00 SOLV
744 ATOM 737 H1 TIP3 238 10.557 3.717 -7.461 1.00 0.00 SOLV
745 ATOM 738 H2 TIP3 238 11.859 4.461 -7.284 1.00 0.00 SOLV
746 ATOM 739 OH2 TIP3 239 7.622 -9.412 0.805 1.00 0.00 SOLV
747 ATOM 740 H1 TIP3 239 6.671 -9.222 0.660 1.00 0.00 SOLV
748 ATOM 741 H2 TIP3 239 7.592 -10.092 1.500 1.00 0.00 SOLV
749 ATOM 742 OH2 TIP3 240 7.656 2.183 -0.740 1.00 0.00 SOLV
750 ATOM 743 H1 TIP3 240 7.895 1.364 -0.267 1.00 0.00 SOLV
751 ATOM 744 H2 TIP3 240 7.707 2.837 -0.029 1.00 0.00 SOLV
752 ATOM 745 OH2 TIP3 241 13.321 1.062 -13.945 1.00 0.00 SOLV
753 ATOM 746 H1 TIP3 241 13.160 0.101 -13.957 1.00 0.00 SOLV
754 ATOM 747 H2 TIP3 241 13.157 1.288 -13.016 1.00 0.00 SOLV
755 ATOM 748 OH2 TIP3 242 12.083 0.536 -10.939 1.00 0.00 SOLV
756 ATOM 749 H1 TIP3 242 12.961 0.129 -10.868 1.00 0.00 SOLV
757 ATOM 750 H2 TIP3 242 12.261 1.427 -10.573 1.00 0.00 SOLV
758 ATOM 751 OH2 TIP3 243 8.490 -2.557 -10.091 1.00 0.00 SOLV
759 ATOM 752 H1 TIP3 243 7.793 -2.031 -9.641 1.00 0.00 SOLV
760 ATOM 753 H2 TIP3 243 8.966 -1.838 -10.547 1.00 0.00 SOLV
761 ATOM 754 OH2 TIP3 244 12.698 3.071 -10.156 1.00 0.00 SOLV
762 ATOM 755 H1 TIP3 244 12.554 3.824 -10.766 1.00 0.00 SOLV
763 ATOM 756 H2 TIP3 244 12.213 3.358 -9.349 1.00 0.00 SOLV
764 ATOM 757 OH2 TIP3 245 11.186 -10.342 -10.429 1.00 0.00 SOLV
765 ATOM 758 H1 TIP3 245 11.290 -9.498 -9.944 1.00 0.00 SOLV
766 ATOM 759 H2 TIP3 245 11.980 -10.819 -10.102 1.00 0.00 SOLV
767 ATOM 760 OH2 TIP3 246 9.437 -0.158 -11.448 1.00 0.00 SOLV
768 ATOM 761 H1 TIP3 246 10.287 0.222 -11.140 1.00 0.00 SOLV
769 ATOM 762 H2 TIP3 246 9.804 -0.868 -12.020 1.00 0.00 SOLV
770 ATOM 763 OH2 TIP3 247 7.768 -7.529 -12.038 1.00 0.00 SOLV
771 ATOM 764 H1 TIP3 247 7.718 -6.559 -11.951 1.00 0.00 SOLV
772 ATOM 765 H2 TIP3 247 7.936 -7.638 -12.995 1.00 0.00 SOLV
773 ATOM 766 OH2 TIP3 248 8.486 -12.369 -4.078 1.00 0.00 SOLV
774 ATOM 767 H1 TIP3 248 8.543 -12.442 -5.054 1.00 0.00 SOLV
775 ATOM 768 H2 TIP3 248 8.078 -13.237 -3.883 1.00 0.00 SOLV
776 ATOM 769 OH2 TIP3 249 7.105 1.555 -7.684 1.00 0.00 SOLV
777 ATOM 770 H1 TIP3 249 6.488 1.941 -7.039 1.00 0.00 SOLV
778 ATOM 771 H2 TIP3 249 6.997 2.156 -8.460 1.00 0.00 SOLV
779 ATOM 772 OH2 TIP3 250 6.843 4.488 3.878 1.00 0.00 SOLV
780 ATOM 773 H1 TIP3 250 7.431 4.125 4.583 1.00 0.00 SOLV
781 ATOM 774 H2 TIP3 250 6.381 3.671 3.593 1.00 0.00 SOLV
782 ATOM 775 OH2 TIP3 251 11.038 3.093 5.171 1.00 0.00 SOLV
783 ATOM 776 H1 TIP3 251 11.818 2.561 5.422 1.00 0.00 SOLV
784 ATOM 777 H2 TIP3 251 10.847 2.687 4.300 1.00 0.00 SOLV
785 ATOM 778 OH2 TIP3 252 6.517 -1.893 4.660 1.00 0.00 SOLV
786 ATOM 779 H1 TIP3 252 6.607 -2.858 4.522 1.00 0.00 SOLV
787 ATOM 780 H2 TIP3 252 5.790 -1.677 4.037 1.00 0.00 SOLV
788 ATOM 781 OH2 TIP3 253 10.675 -2.300 -12.504 1.00 0.00 SOLV
789 ATOM 782 H1 TIP3 253 11.205 -2.899 -11.949 1.00 0.00 SOLV
790 ATOM 783 H2 TIP3 253 11.346 -2.044 -13.171 1.00 0.00 SOLV
791 ATOM 784 OH2 TIP3 254 12.712 -2.629 3.552 1.00 0.00 SOLV
792 ATOM 785 H1 TIP3 254 12.510 -1.809 3.044 1.00 0.00 SOLV
793 ATOM 786 H2 TIP3 254 13.097 -3.200 2.871 1.00 0.00 SOLV
794 ATOM 787 OH2 TIP3 255 7.262 -4.513 4.283 1.00 0.00 SOLV
795 ATOM 788 H1 TIP3 255 8.163 -4.607 3.938 1.00 0.00 SOLV
796 ATOM 789 H2 TIP3 255 7.388 -4.655 5.243 1.00 0.00 SOLV
797 ATOM 790 OH2 TIP3 256 12.155 -4.062 -10.887 1.00 0.00 SOLV
798 ATOM 791 H1 TIP3 256 11.672 -4.003 -10.044 1.00 0.00 SOLV
799 ATOM 792 H2 TIP3 256 11.890 -4.961 -11.181 1.00 0.00 SOLV
800 ATOM 793 OH2 TIP3 257 11.744 -5.497 1.297 1.00 0.00 SOLV
801 ATOM 794 H1 TIP3 257 10.887 -5.091 1.557 1.00 0.00 SOLV
802 ATOM 795 H2 TIP3 257 11.780 -5.289 0.357 1.00 0.00 SOLV
803 ATOM 796 OH2 TIP3 258 11.175 -8.067 2.213 1.00 0.00 SOLV
804 ATOM 797 H1 TIP3 258 11.628 -8.694 1.617 1.00 0.00 SOLV
805 ATOM 798 H2 TIP3 258 11.531 -7.216 1.894 1.00 0.00 SOLV
806 ATOM 799 OH2 TIP3 259 12.173 -9.561 -0.014 1.00 0.00 SOLV
807 ATOM 800 H1 TIP3 259 12.387 -8.882 -0.670 1.00 0.00 SOLV
808 ATOM 801 H2 TIP3 259 11.249 -9.769 -0.267 1.00 0.00 SOLV
809 ATOM 802 OH2 TIP3 260 10.331 -7.816 4.754 1.00 0.00 SOLV
810 ATOM 803 H1 TIP3 260 9.522 -8.356 4.663 1.00 0.00 SOLV
811 ATOM 804 H2 TIP3 260 10.637 -7.808 3.815 1.00 0.00 SOLV
812 ATOM 805 OH2 TIP3 261 12.557 -12.348 -0.061 1.00 0.00 SOLV
813 ATOM 806 H1 TIP3 261 12.701 -11.386 0.017 1.00 0.00 SOLV
814 ATOM 807 H2 TIP3 261 12.055 -12.401 -0.893 1.00 0.00 SOLV
815 ATOM 808 OH2 TIP3 262 8.076 -9.461 4.686 1.00 0.00 SOLV
816 ATOM 809 H1 TIP3 262 8.066 -10.197 4.035 1.00 0.00 SOLV
817 ATOM 810 H2 TIP3 262 8.301 -9.966 5.497 1.00 0.00 SOLV
818 ATOM 811 OH2 TIP3 263 12.862 5.368 -11.726 1.00 0.00 SOLV
819 ATOM 812 H1 TIP3 263 13.680 5.665 -11.267 1.00 0.00 SOLV
820 ATOM 813 H2 TIP3 263 12.295 6.140 -11.652 1.00 0.00 SOLV
821 ATOM 814 OH2 TIP3 264 6.777 0.202 -11.879 1.00 0.00 SOLV
822 ATOM 815 H1 TIP3 264 7.752 0.225 -11.730 1.00 0.00 SOLV
823 ATOM 816 H2 TIP3 264 6.729 -0.352 -12.664 1.00 0.00 SOLV
824 ATOM 817 OH2 TIP3 265 5.564 4.930 -6.638 1.00 0.00 SOLV
825 ATOM 818 H1 TIP3 265 4.942 4.637 -7.342 1.00 0.00 SOLV
826 ATOM 819 H2 TIP3 265 5.673 4.093 -6.139 1.00 0.00 SOLV
827 ATOM 820 OH2 TIP3 266 6.118 2.618 -5.253 1.00 0.00 SOLV
828 ATOM 821 H1 TIP3 266 5.815 1.810 -4.801 1.00 0.00 SOLV
829 ATOM 822 H2 TIP3 266 6.571 3.057 -4.511 1.00 0.00 SOLV
830 ATOM 823 OH2 TIP3 267 5.950 -3.957 -2.569 1.00 0.00 SOLV
831 ATOM 824 H1 TIP3 267 6.156 -4.065 -3.521 1.00 0.00 SOLV
832 ATOM 825 H2 TIP3 267 6.824 -4.198 -2.176 1.00 0.00 SOLV
833 ATOM 826 OH2 TIP3 268 5.839 -8.412 3.387 1.00 0.00 SOLV
834 ATOM 827 H1 TIP3 268 6.665 -8.663 3.845 1.00 0.00 SOLV
835 ATOM 828 H2 TIP3 268 5.314 -9.233 3.492 1.00 0.00 SOLV
836 ATOM 829 OH2 TIP3 269 6.934 -10.153 -3.502 1.00 0.00 SOLV
837 ATOM 830 H1 TIP3 269 7.419 -10.997 -3.636 1.00 0.00 SOLV
838 ATOM 831 H2 TIP3 269 7.687 -9.559 -3.317 1.00 0.00 SOLV
839 ATOM 832 OH2 TIP3 270 5.247 -7.222 -2.964 1.00 0.00 SOLV
840 ATOM 833 H1 TIP3 270 5.970 -7.240 -3.620 1.00 0.00 SOLV
841 ATOM 834 H2 TIP3 270 5.567 -6.543 -2.362 1.00 0.00 SOLV
842 ATOM 835 OH2 TIP3 271 5.716 -11.425 -8.870 1.00 0.00 SOLV
843 ATOM 836 H1 TIP3 271 4.833 -11.196 -8.536 1.00 0.00 SOLV
844 ATOM 837 H2 TIP3 271 5.987 -10.566 -9.257 1.00 0.00 SOLV
845 ATOM 838 OH2 TIP3 272 5.333 -12.880 -1.015 1.00 0.00 SOLV
846 ATOM 839 H1 TIP3 272 5.064 -12.781 -0.087 1.00 0.00 SOLV
847 ATOM 840 H2 TIP3 272 5.187 -11.974 -1.358 1.00 0.00 SOLV
848 ATOM 841 OH2 TIP3 273 7.929 1.141 4.033 1.00 0.00 SOLV
849 ATOM 842 H1 TIP3 273 7.015 1.399 3.803 1.00 0.00 SOLV
850 ATOM 843 H2 TIP3 273 7.895 1.172 4.998 1.00 0.00 SOLV
851 ATOM 844 OH2 TIP3 274 11.086 2.336 0.171 1.00 0.00 SOLV
852 ATOM 845 H1 TIP3 274 10.836 3.221 -0.172 1.00 0.00 SOLV
853 ATOM 846 H2 TIP3 274 11.990 2.508 0.454 1.00 0.00 SOLV
854 ATOM 847 OH2 TIP3 275 8.148 5.370 0.318 1.00 0.00 SOLV
855 ATOM 848 H1 TIP3 275 7.280 5.652 -0.042 1.00 0.00 SOLV
856 ATOM 849 H2 TIP3 275 8.168 5.875 1.150 1.00 0.00 SOLV
857 ATOM 850 OH2 TIP3 276 10.768 4.948 -0.519 1.00 0.00 SOLV
858 ATOM 851 H1 TIP3 276 9.852 5.138 -0.215 1.00 0.00 SOLV
859 ATOM 852 H2 TIP3 276 10.765 5.436 -1.374 1.00 0.00 SOLV
860 ATOM 853 OH2 TIP3 277 7.633 3.673 -3.099 1.00 0.00 SOLV
861 ATOM 854 H1 TIP3 277 7.701 3.227 -2.224 1.00 0.00 SOLV
862 ATOM 855 H2 TIP3 277 8.413 3.269 -3.540 1.00 0.00 SOLV
863 ATOM 856 OH2 TIP3 278 9.719 2.322 -4.228 1.00 0.00 SOLV
864 ATOM 857 H1 TIP3 278 9.612 1.392 -3.917 1.00 0.00 SOLV
865 ATOM 858 H2 TIP3 278 10.641 2.504 -3.936 1.00 0.00 SOLV
866 ATOM 859 OH2 TIP3 279 12.323 2.782 -3.346 1.00 0.00 SOLV
867 ATOM 860 H1 TIP3 279 12.914 2.053 -3.063 1.00 0.00 SOLV
868 ATOM 861 H2 TIP3 279 12.473 3.440 -2.665 1.00 0.00 SOLV
869 ATOM 862 OH2 TIP3 280 8.447 -12.935 -6.782 1.00 0.00 SOLV
870 ATOM 863 H1 TIP3 280 7.630 -13.283 -7.196 1.00 0.00 SOLV
871 ATOM 864 H2 TIP3 280 9.024 -13.715 -6.836 1.00 0.00 SOLV
872 ATOM 865 OH2 TIP3 281 6.777 -12.920 -11.045 1.00 0.00 SOLV
873 ATOM 866 H1 TIP3 281 7.518 -12.311 -11.264 1.00 0.00 SOLV
874 ATOM 867 H2 TIP3 281 6.303 -12.384 -10.388 1.00 0.00 SOLV
875 ATOM 868 OH2 TIP3 282 13.151 -12.745 -6.233 1.00 0.00 SOLV
876 ATOM 869 H1 TIP3 282 13.341 -11.782 -6.212 1.00 0.00 SOLV
877 ATOM 870 H2 TIP3 282 12.353 -12.798 -5.697 1.00 0.00 SOLV
878 ATOM 871 OH2 TIP3 283 6.779 3.256 -9.749 1.00 0.00 SOLV
879 ATOM 872 H1 TIP3 283 6.100 3.066 -10.410 1.00 0.00 SOLV
880 ATOM 873 H2 TIP3 283 6.783 4.234 -9.776 1.00 0.00 SOLV
881 ATOM 874 OH2 TIP3 284 8.851 -11.291 -11.597 1.00 0.00 SOLV
882 ATOM 875 H1 TIP3 284 9.071 -11.276 -12.533 1.00 0.00 SOLV
883 ATOM 876 H2 TIP3 284 9.677 -10.982 -11.173 1.00 0.00 SOLV
884 ATOM 877 OH2 TIP3 285 8.043 -11.631 3.006 1.00 0.00 SOLV
885 ATOM 878 H1 TIP3 285 7.289 -12.162 3.290 1.00 0.00 SOLV
886 ATOM 879 H2 TIP3 285 8.775 -12.085 3.475 1.00 0.00 SOLV
887 ATOM 880 OH2 TIP3 286 9.937 -12.955 4.601 1.00 0.00 SOLV
888 ATOM 881 H1 TIP3 286 10.868 -12.937 4.353 1.00 0.00 SOLV
889 ATOM 882 H2 TIP3 286 9.796 -13.929 4.654 1.00 0.00 SOLV
890 ATOM 883 OH2 TIP3 287 8.616 3.562 -12.156 1.00 0.00 SOLV
891 ATOM 884 H1 TIP3 287 8.224 4.316 -11.704 1.00 0.00 SOLV
892 ATOM 885 H2 TIP3 287 8.634 2.900 -11.453 1.00 0.00 SOLV
893 ATOM 886 OH2 TIP3 288 -13.365 12.025 -7.670 1.00 0.00 SOLV
894 ATOM 887 H1 TIP3 288 -13.686 12.839 -7.214 1.00 0.00 SOLV
895 ATOM 888 H2 TIP3 288 -13.598 11.343 -7.005 1.00 0.00 SOLV
896 ATOM 889 OH2 TIP3 289 4.753 8.442 -1.607 1.00 0.00 SOLV
897 ATOM 890 H1 TIP3 289 4.947 9.217 -1.037 1.00 0.00 SOLV
898 ATOM 891 H2 TIP3 289 5.337 8.621 -2.374 1.00 0.00 SOLV
899 ATOM 892 OH2 TIP3 290 -1.373 11.339 -2.640 1.00 0.00 SOLV
900 ATOM 893 H1 TIP3 290 -1.182 10.387 -2.548 1.00 0.00 SOLV
901 ATOM 894 H2 TIP3 290 -1.396 11.424 -3.615 1.00 0.00 SOLV
902 ATOM 895 OH2 TIP3 291 -7.279 9.504 -5.013 1.00 0.00 SOLV
903 ATOM 896 H1 TIP3 291 -7.480 10.359 -5.464 1.00 0.00 SOLV
904 ATOM 897 H2 TIP3 291 -7.854 8.904 -5.498 1.00 0.00 SOLV
905 ATOM 898 OH2 TIP3 292 0.008 9.554 -6.944 1.00 0.00 SOLV
906 ATOM 899 H1 TIP3 292 0.434 9.328 -6.084 1.00 0.00 SOLV
907 ATOM 900 H2 TIP3 292 0.728 10.023 -7.403 1.00 0.00 SOLV
908 ATOM 901 OH2 TIP3 293 -11.042 11.901 -4.346 1.00 0.00 SOLV
909 ATOM 902 H1 TIP3 293 -10.395 11.281 -3.944 1.00 0.00 SOLV
910 ATOM 903 H2 TIP3 293 -11.092 11.560 -5.250 1.00 0.00 SOLV
911 ATOM 904 OH2 TIP3 294 5.100 10.252 0.416 1.00 0.00 SOLV
912 ATOM 905 H1 TIP3 294 4.368 10.860 0.186 1.00 0.00 SOLV
913 ATOM 906 H2 TIP3 294 5.264 10.493 1.346 1.00 0.00 SOLV
914 ATOM 907 OH2 TIP3 295 -9.202 8.490 -1.017 1.00 0.00 SOLV
915 ATOM 908 H1 TIP3 295 -9.418 9.241 -1.607 1.00 0.00 SOLV
916 ATOM 909 H2 TIP3 295 -9.891 8.581 -0.329 1.00 0.00 SOLV
917 ATOM 910 OH2 TIP3 296 0.938 9.366 -4.396 1.00 0.00 SOLV
918 ATOM 911 H1 TIP3 296 0.334 9.019 -3.711 1.00 0.00 SOLV
919 ATOM 912 H2 TIP3 296 1.642 9.775 -3.852 1.00 0.00 SOLV
920 ATOM 913 OH2 TIP3 297 -9.113 10.357 -3.094 1.00 0.00 SOLV
921 ATOM 914 H1 TIP3 297 -8.623 10.967 -2.503 1.00 0.00 SOLV
922 ATOM 915 H2 TIP3 297 -8.385 10.040 -3.664 1.00 0.00 SOLV
923 ATOM 916 OH2 TIP3 298 2.239 7.985 -0.601 1.00 0.00 SOLV
924 ATOM 917 H1 TIP3 298 1.564 8.189 -1.262 1.00 0.00 SOLV
925 ATOM 918 H2 TIP3 298 3.068 8.104 -1.119 1.00 0.00 SOLV
926 ATOM 919 OH2 TIP3 299 -5.945 5.513 -3.967 1.00 0.00 SOLV
927 ATOM 920 H1 TIP3 299 -6.053 4.585 -3.670 1.00 0.00 SOLV
928 ATOM 921 H2 TIP3 299 -6.675 5.939 -3.465 1.00 0.00 SOLV
929 ATOM 922 OH2 TIP3 300 -3.297 12.856 -12.508 1.00 0.00 SOLV
930 ATOM 923 H1 TIP3 300 -2.816 13.341 -11.830 1.00 0.00 SOLV
931 ATOM 924 H2 TIP3 300 -2.633 12.249 -12.849 1.00 0.00 SOLV
932 ATOM 925 OH2 TIP3 301 0.940 13.356 1.106 1.00 0.00 SOLV
933 ATOM 926 H1 TIP3 301 0.591 14.208 1.398 1.00 0.00 SOLV
934 ATOM 927 H2 TIP3 301 0.146 12.995 0.646 1.00 0.00 SOLV
935 ATOM 928 OH2 TIP3 302 3.150 5.673 -10.696 1.00 0.00 SOLV
936 ATOM 929 H1 TIP3 302 2.267 5.922 -10.354 1.00 0.00 SOLV
937 ATOM 930 H2 TIP3 302 3.472 6.526 -11.049 1.00 0.00 SOLV
938 ATOM 931 OH2 TIP3 303 2.232 11.772 3.083 1.00 0.00 SOLV
939 ATOM 932 H1 TIP3 303 1.630 12.157 2.423 1.00 0.00 SOLV
940 ATOM 933 H2 TIP3 303 2.244 10.831 2.803 1.00 0.00 SOLV
941 ATOM 934 OH2 TIP3 304 -8.174 6.524 -2.688 1.00 0.00 SOLV
942 ATOM 935 H1 TIP3 304 -9.003 6.464 -3.208 1.00 0.00 SOLV
943 ATOM 936 H2 TIP3 304 -8.372 7.316 -2.146 1.00 0.00 SOLV
944 ATOM 937 OH2 TIP3 305 -3.228 6.200 0.478 1.00 0.00 SOLV
945 ATOM 938 H1 TIP3 305 -2.761 5.729 1.206 1.00 0.00 SOLV
946 ATOM 939 H2 TIP3 305 -4.164 6.118 0.759 1.00 0.00 SOLV
947 ATOM 940 OH2 TIP3 306 -0.347 10.294 1.599 1.00 0.00 SOLV
948 ATOM 941 H1 TIP3 306 -0.958 10.163 2.358 1.00 0.00 SOLV
949 ATOM 942 H2 TIP3 306 -0.801 10.980 1.071 1.00 0.00 SOLV
950 ATOM 943 OH2 TIP3 307 -3.423 8.974 -11.972 1.00 0.00 SOLV
951 ATOM 944 H1 TIP3 307 -3.967 8.706 -11.210 1.00 0.00 SOLV
952 ATOM 945 H2 TIP3 307 -4.147 9.086 -12.611 1.00 0.00 SOLV
953 ATOM 946 OH2 TIP3 308 -7.769 12.007 -1.386 1.00 0.00 SOLV
954 ATOM 947 H1 TIP3 308 -8.477 11.861 -0.715 1.00 0.00 SOLV
955 ATOM 948 H2 TIP3 308 -7.923 12.937 -1.652 1.00 0.00 SOLV
956 ATOM 949 OH2 TIP3 309 -8.224 11.533 -6.484 1.00 0.00 SOLV
957 ATOM 950 H1 TIP3 309 -9.158 11.608 -6.750 1.00 0.00 SOLV
958 ATOM 951 H2 TIP3 309 -7.804 11.458 -7.363 1.00 0.00 SOLV
959 ATOM 952 OH2 TIP3 310 -2.434 12.264 -7.781 1.00 0.00 SOLV
960 ATOM 953 H1 TIP3 310 -2.659 13.207 -7.843 1.00 0.00 SOLV
961 ATOM 954 H2 TIP3 310 -1.720 12.164 -8.444 1.00 0.00 SOLV
962 ATOM 955 OH2 TIP3 311 -3.083 12.477 3.089 1.00 0.00 SOLV
963 ATOM 956 H1 TIP3 311 -3.713 11.863 3.531 1.00 0.00 SOLV
964 ATOM 957 H2 TIP3 311 -2.330 12.417 3.696 1.00 0.00 SOLV
965 ATOM 958 OH2 TIP3 312 -1.412 11.280 -5.352 1.00 0.00 SOLV
966 ATOM 959 H1 TIP3 312 -1.926 11.737 -6.048 1.00 0.00 SOLV
967 ATOM 960 H2 TIP3 312 -1.013 10.569 -5.896 1.00 0.00 SOLV
968 ATOM 961 OH2 TIP3 313 -9.858 11.263 0.220 1.00 0.00 SOLV
969 ATOM 962 H1 TIP3 313 -9.992 11.836 0.980 1.00 0.00 SOLV
970 ATOM 963 H2 TIP3 313 -10.338 10.457 0.500 1.00 0.00 SOLV
971 ATOM 964 OH2 TIP3 314 -6.064 9.325 -12.888 1.00 0.00 SOLV
972 ATOM 965 H1 TIP3 314 -6.686 9.072 -12.188 1.00 0.00 SOLV
973 ATOM 966 H2 TIP3 314 -6.609 9.906 -13.442 1.00 0.00 SOLV
974 ATOM 967 OH2 TIP3 315 -13.463 9.684 -6.109 1.00 0.00 SOLV
975 ATOM 968 H1 TIP3 315 -12.916 9.453 -5.323 1.00 0.00 SOLV
976 ATOM 969 H2 TIP3 315 -13.055 9.092 -6.768 1.00 0.00 SOLV
977 ATOM 970 OH2 TIP3 316 -12.376 9.955 -10.204 1.00 0.00 SOLV
978 ATOM 971 H1 TIP3 316 -11.853 10.406 -10.907 1.00 0.00 SOLV
979 ATOM 972 H2 TIP3 316 -13.229 10.401 -10.316 1.00 0.00 SOLV
980 ATOM 973 OH2 TIP3 317 -1.259 12.302 -0.081 1.00 0.00 SOLV
981 ATOM 974 H1 TIP3 317 -1.214 12.039 -1.030 1.00 0.00 SOLV
982 ATOM 975 H2 TIP3 317 -2.224 12.280 0.046 1.00 0.00 SOLV
983 ATOM 976 OH2 TIP3 318 -4.670 8.995 -5.795 1.00 0.00 SOLV
984 ATOM 977 H1 TIP3 318 -5.524 9.204 -5.353 1.00 0.00 SOLV
985 ATOM 978 H2 TIP3 318 -4.108 8.757 -5.032 1.00 0.00 SOLV
986 ATOM 979 OH2 TIP3 319 -10.716 11.500 -7.606 1.00 0.00 SOLV
987 ATOM 980 H1 TIP3 319 -11.685 11.639 -7.701 1.00 0.00 SOLV
988 ATOM 981 H2 TIP3 319 -10.529 11.047 -8.440 1.00 0.00 SOLV
989 ATOM 982 OH2 TIP3 320 -7.269 10.858 -8.995 1.00 0.00 SOLV
990 ATOM 983 H1 TIP3 320 -6.311 10.900 -8.798 1.00 0.00 SOLV
991 ATOM 984 H2 TIP3 320 -7.329 11.389 -9.826 1.00 0.00 SOLV
992 ATOM 985 OH2 TIP3 321 -0.878 8.617 -2.411 1.00 0.00 SOLV
993 ATOM 986 H1 TIP3 321 -1.328 8.606 -1.537 1.00 0.00 SOLV
994 ATOM 987 H2 TIP3 321 -1.559 8.184 -2.965 1.00 0.00 SOLV
995 ATOM 988 OH2 TIP3 322 -7.595 12.057 -11.387 1.00 0.00 SOLV
996 ATOM 989 H1 TIP3 322 -8.313 11.898 -12.007 1.00 0.00 SOLV
997 ATOM 990 H2 TIP3 322 -7.032 12.678 -11.890 1.00 0.00 SOLV
998 ATOM 991 OH2 TIP3 323 -4.466 11.766 -3.653 1.00 0.00 SOLV
999 ATOM 992 H1 TIP3 323 -3.557 11.454 -3.706 1.00 0.00 SOLV
1000 ATOM 993 H2 TIP3 323 -4.829 11.193 -2.947 1.00 0.00 SOLV
1001 ATOM 994 OH2 TIP3 324 -5.485 10.547 -1.413 1.00 0.00 SOLV
1002 ATOM 995 H1 TIP3 324 -6.236 11.179 -1.358 1.00 0.00 SOLV
1003 ATOM 996 H2 TIP3 324 -4.880 10.879 -0.714 1.00 0.00 SOLV
1004 ATOM 997 OH2 TIP3 325 -0.833 9.275 -10.899 1.00 0.00 SOLV
1005 ATOM 998 H1 TIP3 325 -1.630 9.120 -11.451 1.00 0.00 SOLV
1006 ATOM 999 H2 TIP3 325 -0.924 10.218 -10.674 1.00 0.00 SOLV
1007 ATOM 1000 OH2 TIP3 326 -0.347 11.893 -9.702 1.00 0.00 SOLV
1008 ATOM 1001 H1 TIP3 326 0.457 11.457 -9.365 1.00 0.00 SOLV
1009 ATOM 1002 H2 TIP3 326 -0.006 12.791 -9.888 1.00 0.00 SOLV
1010 ATOM 1003 OH2 TIP3 327 4.267 11.777 -10.013 1.00 0.00 SOLV
1011 ATOM 1004 H1 TIP3 327 4.045 11.554 -10.956 1.00 0.00 SOLV
1012 ATOM 1005 H2 TIP3 327 3.984 12.722 -10.026 1.00 0.00 SOLV
1013 ATOM 1006 OH2 TIP3 328 -11.048 8.959 1.173 1.00 0.00 SOLV
1014 ATOM 1007 H1 TIP3 328 -11.737 9.399 1.710 1.00 0.00 SOLV
1015 ATOM 1008 H2 TIP3 328 -10.919 8.143 1.697 1.00 0.00 SOLV
1016 ATOM 1009 OH2 TIP3 329 -2.172 8.713 0.036 1.00 0.00 SOLV
1017 ATOM 1010 H1 TIP3 329 -1.498 8.774 0.732 1.00 0.00 SOLV
1018 ATOM 1011 H2 TIP3 329 -2.573 7.831 0.208 1.00 0.00 SOLV
1019 ATOM 1012 OH2 TIP3 330 -1.439 7.930 -8.566 1.00 0.00 SOLV
1020 ATOM 1013 H1 TIP3 330 -1.251 8.383 -9.417 1.00 0.00 SOLV
1021 ATOM 1014 H2 TIP3 330 -0.978 8.530 -7.934 1.00 0.00 SOLV
1022 ATOM 1015 OH2 TIP3 331 -4.630 10.605 -8.072 1.00 0.00 SOLV
1023 ATOM 1016 H1 TIP3 331 -3.874 11.225 -7.988 1.00 0.00 SOLV
1024 ATOM 1017 H2 TIP3 331 -4.622 10.190 -7.185 1.00 0.00 SOLV
1025 ATOM 1018 OH2 TIP3 332 -3.707 11.168 0.584 1.00 0.00 SOLV
1026 ATOM 1019 H1 TIP3 332 -3.556 11.443 1.507 1.00 0.00 SOLV
1027 ATOM 1020 H2 TIP3 332 -3.265 10.298 0.534 1.00 0.00 SOLV
1028 ATOM 1021 OH2 TIP3 333 -3.915 7.154 -7.680 1.00 0.00 SOLV
1029 ATOM 1022 H1 TIP3 333 -4.063 7.857 -7.009 1.00 0.00 SOLV
1030 ATOM 1023 H2 TIP3 333 -3.001 7.385 -7.977 1.00 0.00 SOLV
1031 ATOM 1024 OH2 TIP3 334 -7.675 8.600 -10.539 1.00 0.00 SOLV
1032 ATOM 1025 H1 TIP3 334 -7.771 9.416 -10.006 1.00 0.00 SOLV
1033 ATOM 1026 H2 TIP3 334 -6.746 8.380 -10.306 1.00 0.00 SOLV
1034 ATOM 1027 OH2 TIP3 335 2.154 9.338 1.810 1.00 0.00 SOLV
1035 ATOM 1028 H1 TIP3 335 1.202 9.583 1.770 1.00 0.00 SOLV
1036 ATOM 1029 H2 TIP3 335 2.268 8.975 0.914 1.00 0.00 SOLV
1037 ATOM 1030 OH2 TIP3 336 0.970 12.588 -4.293 1.00 0.00 SOLV
1038 ATOM 1031 H1 TIP3 336 0.285 11.976 -4.616 1.00 0.00 SOLV
1039 ATOM 1032 H2 TIP3 336 1.550 11.967 -3.799 1.00 0.00 SOLV
1040 ATOM 1033 OH2 TIP3 337 -11.368 11.617 -12.110 1.00 0.00 SOLV
1041 ATOM 1034 H1 TIP3 337 -11.610 12.524 -11.832 1.00 0.00 SOLV
1042 ATOM 1035 H2 TIP3 337 -11.136 11.737 -13.042 1.00 0.00 SOLV
1043 ATOM 1036 OH2 TIP3 338 -10.596 6.181 -3.939 1.00 0.00 SOLV
1044 ATOM 1037 H1 TIP3 338 -10.662 5.787 -4.818 1.00 0.00 SOLV
1045 ATOM 1038 H2 TIP3 338 -10.936 5.441 -3.390 1.00 0.00 SOLV
1046 ATOM 1039 OH2 TIP3 339 -7.559 12.936 1.665 1.00 0.00 SOLV
1047 ATOM 1040 H1 TIP3 339 -7.862 13.647 2.236 1.00 0.00 SOLV
1048 ATOM 1041 H2 TIP3 339 -6.917 13.405 1.093 1.00 0.00 SOLV
1049 ATOM 1042 OH2 TIP3 340 -5.929 13.335 -13.214 1.00 0.00 SOLV
1050 ATOM 1043 H1 TIP3 340 -6.179 12.522 -13.692 1.00 0.00 SOLV
1051 ATOM 1044 H2 TIP3 340 -4.991 13.167 -12.966 1.00 0.00 SOLV
1052 ATOM 1045 OH2 TIP3 341 -7.044 10.399 2.509 1.00 0.00 SOLV
1053 ATOM 1046 H1 TIP3 341 -6.947 9.775 1.759 1.00 0.00 SOLV
1054 ATOM 1047 H2 TIP3 341 -7.222 11.246 2.041 1.00 0.00 SOLV
1055 ATOM 1048 OH2 TIP3 342 -6.766 8.736 0.250 1.00 0.00 SOLV
1056 ATOM 1049 H1 TIP3 342 -6.236 9.211 -0.424 1.00 0.00 SOLV
1057 ATOM 1050 H2 TIP3 342 -7.635 8.674 -0.199 1.00 0.00 SOLV
1058 ATOM 1051 OH2 TIP3 343 -0.855 11.735 5.066 1.00 0.00 SOLV
1059 ATOM 1052 H1 TIP3 343 -1.109 10.843 4.755 1.00 0.00 SOLV
1060 ATOM 1053 H2 TIP3 343 0.084 11.750 4.838 1.00 0.00 SOLV
1061 ATOM 1054 OH2 TIP3 344 -8.624 11.103 4.691 1.00 0.00 SOLV
1062 ATOM 1055 H1 TIP3 344 -9.372 10.466 4.655 1.00 0.00 SOLV
1063 ATOM 1056 H2 TIP3 344 -8.113 10.834 3.894 1.00 0.00 SOLV
1064 ATOM 1057 OH2 TIP3 345 -6.037 6.141 0.806 1.00 0.00 SOLV
1065 ATOM 1058 H1 TIP3 345 -6.277 7.086 0.682 1.00 0.00 SOLV
1066 ATOM 1059 H2 TIP3 345 -6.800 5.691 0.397 1.00 0.00 SOLV
1067 ATOM 1060 OH2 TIP3 346 -4.660 10.436 3.978 1.00 0.00 SOLV
1068 ATOM 1061 H1 TIP3 346 -4.968 10.030 4.807 1.00 0.00 SOLV
1069 ATOM 1062 H2 TIP3 346 -5.491 10.398 3.460 1.00 0.00 SOLV
1070 ATOM 1063 OH2 TIP3 347 -1.994 9.606 3.618 1.00 0.00 SOLV
1071 ATOM 1064 H1 TIP3 347 -2.957 9.605 3.804 1.00 0.00 SOLV
1072 ATOM 1065 H2 TIP3 347 -1.672 8.870 4.173 1.00 0.00 SOLV
1073 ATOM 1066 OH2 TIP3 348 -0.248 8.232 5.388 1.00 0.00 SOLV
1074 ATOM 1067 H1 TIP3 348 -0.294 7.278 5.158 1.00 0.00 SOLV
1075 ATOM 1068 H2 TIP3 348 -0.544 8.249 6.314 1.00 0.00 SOLV
1076 ATOM 1069 OH2 TIP3 349 -10.479 9.028 4.631 1.00 0.00 SOLV
1077 ATOM 1070 H1 TIP3 349 -10.514 8.242 4.058 1.00 0.00 SOLV
1078 ATOM 1071 H2 TIP3 349 -10.366 8.606 5.509 1.00 0.00 SOLV
1079 ATOM 1072 OH2 TIP3 350 -6.243 5.502 3.472 1.00 0.00 SOLV
1080 ATOM 1073 H1 TIP3 350 -5.590 4.765 3.501 1.00 0.00 SOLV
1081 ATOM 1074 H2 TIP3 350 -6.142 5.738 2.527 1.00 0.00 SOLV
1082 ATOM 1075 OH2 TIP3 351 -4.874 7.484 4.891 1.00 0.00 SOLV
1083 ATOM 1076 H1 TIP3 351 -5.284 6.710 4.461 1.00 0.00 SOLV
1084 ATOM 1077 H2 TIP3 351 -5.662 8.021 5.113 1.00 0.00 SOLV
1085 ATOM 1078 OH2 TIP3 352 3.500 11.203 -12.507 1.00 0.00 SOLV
1086 ATOM 1079 H1 TIP3 352 3.282 11.795 -13.250 1.00 0.00 SOLV
1087 ATOM 1080 H2 TIP3 352 2.960 10.422 -12.727 1.00 0.00 SOLV
1088 ATOM 1081 OH2 TIP3 353 1.463 13.190 -7.188 1.00 0.00 SOLV
1089 ATOM 1082 H1 TIP3 353 1.758 12.289 -7.405 1.00 0.00 SOLV
1090 ATOM 1083 H2 TIP3 353 1.936 13.358 -6.358 1.00 0.00 SOLV
1091 ATOM 1084 OH2 TIP3 354 4.638 12.450 4.116 1.00 0.00 SOLV
1092 ATOM 1085 H1 TIP3 354 3.771 12.305 3.675 1.00 0.00 SOLV
1093 ATOM 1086 H2 TIP3 354 5.168 11.724 3.724 1.00 0.00 SOLV
1094 ATOM 1087 OH2 TIP3 355 1.658 9.123 -12.731 1.00 0.00 SOLV
1095 ATOM 1088 H1 TIP3 355 2.374 8.502 -12.508 1.00 0.00 SOLV
1096 ATOM 1089 H2 TIP3 355 1.012 8.954 -12.022 1.00 0.00 SOLV
1097 ATOM 1090 OH2 TIP3 356 2.085 10.676 -8.508 1.00 0.00 SOLV
1098 ATOM 1091 H1 TIP3 356 2.361 9.730 -8.496 1.00 0.00 SOLV
1099 ATOM 1092 H2 TIP3 356 2.845 11.049 -8.998 1.00 0.00 SOLV
1100 ATOM 1093 OH2 TIP3 357 2.629 10.938 -2.842 1.00 0.00 SOLV
1101 ATOM 1094 H1 TIP3 357 3.565 11.222 -2.969 1.00 0.00 SOLV
1102 ATOM 1095 H2 TIP3 357 2.565 11.088 -1.880 1.00 0.00 SOLV
1103 ATOM 1096 OH2 TIP3 358 2.910 11.945 -0.288 1.00 0.00 SOLV
1104 ATOM 1097 H1 TIP3 358 2.135 12.361 0.141 1.00 0.00 SOLV
1105 ATOM 1098 H2 TIP3 358 3.312 12.690 -0.757 1.00 0.00 SOLV
1106 ATOM 1099 OH2 TIP3 359 -12.509 10.261 3.322 1.00 0.00 SOLV
1107 ATOM 1100 H1 TIP3 359 -11.811 9.899 3.904 1.00 0.00 SOLV
1108 ATOM 1101 H2 TIP3 359 -13.276 10.249 3.915 1.00 0.00 SOLV
1109 ATOM 1102 OH2 TIP3 360 5.093 6.102 5.196 1.00 0.00 SOLV
1110 ATOM 1103 H1 TIP3 360 5.809 5.594 4.754 1.00 0.00 SOLV
1111 ATOM 1104 H2 TIP3 360 4.978 6.838 4.554 1.00 0.00 SOLV
1112 ATOM 1105 OH2 TIP3 361 2.900 8.045 -8.373 1.00 0.00 SOLV
1113 ATOM 1106 H1 TIP3 361 3.064 7.617 -7.505 1.00 0.00 SOLV
1114 ATOM 1107 H2 TIP3 361 2.205 7.446 -8.723 1.00 0.00 SOLV
1115 ATOM 1108 OH2 TIP3 362 -11.717 8.776 -4.242 1.00 0.00 SOLV
1116 ATOM 1109 H1 TIP3 362 -11.274 7.946 -3.984 1.00 0.00 SOLV
1117 ATOM 1110 H2 TIP3 362 -11.780 9.258 -3.399 1.00 0.00 SOLV
1118 ATOM 1111 OH2 TIP3 363 -12.945 10.865 -2.426 1.00 0.00 SOLV
1119 ATOM 1112 H1 TIP3 363 -12.372 11.430 -2.965 1.00 0.00 SOLV
1120 ATOM 1113 H2 TIP3 363 -13.713 11.433 -2.275 1.00 0.00 SOLV
1121 ATOM 1114 OH2 TIP3 364 4.400 8.007 3.369 1.00 0.00 SOLV
1122 ATOM 1115 H1 TIP3 364 3.582 8.440 3.698 1.00 0.00 SOLV
1123 ATOM 1116 H2 TIP3 364 4.053 7.552 2.576 1.00 0.00 SOLV
1124 ATOM 1117 OH2 TIP3 365 4.285 8.072 -11.808 1.00 0.00 SOLV
1125 ATOM 1118 H1 TIP3 365 4.857 8.090 -12.603 1.00 0.00 SOLV
1126 ATOM 1119 H2 TIP3 365 4.819 8.651 -11.236 1.00 0.00 SOLV
1127 ATOM 1120 OH2 TIP3 366 -12.863 8.111 -8.313 1.00 0.00 SOLV
1128 ATOM 1121 H1 TIP3 366 -13.817 8.180 -8.424 1.00 0.00 SOLV
1129 ATOM 1122 H2 TIP3 366 -12.551 8.815 -8.931 1.00 0.00 SOLV
1130 ATOM 1123 OH2 TIP3 367 3.327 6.376 1.386 1.00 0.00 SOLV
1131 ATOM 1124 H1 TIP3 367 2.956 7.110 0.858 1.00 0.00 SOLV
1132 ATOM 1125 H2 TIP3 367 2.780 5.656 0.990 1.00 0.00 SOLV
1133 ATOM 1126 OH2 TIP3 368 -2.851 7.571 -4.141 1.00 0.00 SOLV
1134 ATOM 1127 H1 TIP3 368 -3.417 6.790 -4.120 1.00 0.00 SOLV
1135 ATOM 1128 H2 TIP3 368 -2.060 7.220 -4.611 1.00 0.00 SOLV
1136 ATOM 1129 OH2 TIP3 369 1.916 5.817 -4.180 1.00 0.00 SOLV
1137 ATOM 1130 H1 TIP3 369 2.527 6.363 -4.721 1.00 0.00 SOLV
1138 ATOM 1131 H2 TIP3 369 1.053 6.217 -4.389 1.00 0.00 SOLV
1139 ATOM 1132 OH2 TIP3 370 3.652 6.844 -6.012 1.00 0.00 SOLV
1140 ATOM 1133 H1 TIP3 370 4.358 6.187 -6.189 1.00 0.00 SOLV
1141 ATOM 1134 H2 TIP3 370 4.202 7.646 -5.855 1.00 0.00 SOLV
1142 ATOM 1135 OH2 TIP3 371 -12.035 6.209 -10.236 1.00 0.00 SOLV
1143 ATOM 1136 H1 TIP3 371 -11.310 6.663 -10.732 1.00 0.00 SOLV
1144 ATOM 1137 H2 TIP3 371 -12.184 6.838 -9.506 1.00 0.00 SOLV
1145 ATOM 1138 OH2 TIP3 372 -6.398 6.370 -6.627 1.00 0.00 SOLV
1146 ATOM 1139 H1 TIP3 372 -5.541 6.681 -6.981 1.00 0.00 SOLV
1147 ATOM 1140 H2 TIP3 372 -6.154 6.170 -5.695 1.00 0.00 SOLV
1148 ATOM 1141 OH2 TIP3 373 -0.703 6.308 -5.265 1.00 0.00 SOLV
1149 ATOM 1142 H1 TIP3 373 -0.442 6.074 -6.165 1.00 0.00 SOLV
1150 ATOM 1143 H2 TIP3 373 -1.072 5.449 -4.946 1.00 0.00 SOLV
1151 ATOM 1144 OH2 TIP3 374 0.882 6.384 -9.200 1.00 0.00 SOLV
1152 ATOM 1145 H1 TIP3 374 0.054 6.892 -9.119 1.00 0.00 SOLV
1153 ATOM 1146 H2 TIP3 374 0.529 5.489 -9.001 1.00 0.00 SOLV
1154 ATOM 1147 OH2 TIP3 375 -10.000 7.470 -11.513 1.00 0.00 SOLV
1155 ATOM 1148 H1 TIP3 375 -9.764 7.402 -12.446 1.00 0.00 SOLV
1156 ATOM 1149 H2 TIP3 375 -9.221 7.942 -11.152 1.00 0.00 SOLV
1157 ATOM 1150 OH2 TIP3 376 -5.060 8.501 -9.776 1.00 0.00 SOLV
1158 ATOM 1151 H1 TIP3 376 -4.733 7.828 -9.151 1.00 0.00 SOLV
1159 ATOM 1152 H2 TIP3 376 -4.901 9.318 -9.255 1.00 0.00 SOLV
1160 ATOM 1153 OH2 TIP3 377 -10.619 6.743 2.842 1.00 0.00 SOLV
1161 ATOM 1154 H1 TIP3 377 -11.144 6.014 3.239 1.00 0.00 SOLV
1162 ATOM 1155 H2 TIP3 377 -9.770 6.582 3.313 1.00 0.00 SOLV
1163 ATOM 1156 OH2 TIP3 378 -8.700 6.030 4.631 1.00 0.00 SOLV
1164 ATOM 1157 H1 TIP3 378 -7.796 5.858 4.277 1.00 0.00 SOLV
1165 ATOM 1158 H2 TIP3 378 -8.900 5.178 5.065 1.00 0.00 SOLV
1166 ATOM 1159 OH2 TIP3 379 -0.079 5.605 4.540 1.00 0.00 SOLV
1167 ATOM 1160 H1 TIP3 379 -0.268 5.125 5.383 1.00 0.00 SOLV
1168 ATOM 1161 H2 TIP3 379 0.874 5.410 4.428 1.00 0.00 SOLV
1169 ATOM 1162 OH2 TIP3 380 6.234 12.926 -8.104 1.00 0.00 SOLV
1170 ATOM 1163 H1 TIP3 380 6.073 13.848 -8.401 1.00 0.00 SOLV
1171 ATOM 1164 H2 TIP3 380 5.581 12.455 -8.649 1.00 0.00 SOLV
1172 ATOM 1165 OH2 TIP3 381 10.730 9.291 -5.196 1.00 0.00 SOLV
1173 ATOM 1166 H1 TIP3 381 11.617 9.546 -5.498 1.00 0.00 SOLV
1174 ATOM 1167 H2 TIP3 381 10.287 9.025 -6.023 1.00 0.00 SOLV
1175 ATOM 1168 OH2 TIP3 382 7.497 12.046 -4.186 1.00 0.00 SOLV
1176 ATOM 1169 H1 TIP3 382 8.048 11.383 -3.725 1.00 0.00 SOLV
1177 ATOM 1170 H2 TIP3 382 7.586 11.732 -5.108 1.00 0.00 SOLV
1178 ATOM 1171 OH2 TIP3 383 9.810 8.556 -0.946 1.00 0.00 SOLV
1179 ATOM 1172 H1 TIP3 383 9.493 9.189 -1.618 1.00 0.00 SOLV
1180 ATOM 1173 H2 TIP3 383 9.071 8.600 -0.302 1.00 0.00 SOLV
1181 ATOM 1174 OH2 TIP3 384 9.181 10.130 -3.133 1.00 0.00 SOLV
1182 ATOM 1175 H1 TIP3 384 9.790 10.751 -2.666 1.00 0.00 SOLV
1183 ATOM 1176 H2 TIP3 384 9.776 9.811 -3.857 1.00 0.00 SOLV
1184 ATOM 1177 OH2 TIP3 385 10.577 6.550 -2.684 1.00 0.00 SOLV
1185 ATOM 1178 H1 TIP3 385 9.761 6.574 -3.220 1.00 0.00 SOLV
1186 ATOM 1179 H2 TIP3 385 10.443 7.335 -2.117 1.00 0.00 SOLV
1187 ATOM 1180 OH2 TIP3 386 10.693 11.793 -1.632 1.00 0.00 SOLV
1188 ATOM 1181 H1 TIP3 386 10.114 11.751 -0.839 1.00 0.00 SOLV
1189 ATOM 1182 H2 TIP3 386 10.728 12.759 -1.785 1.00 0.00 SOLV
1190 ATOM 1183 OH2 TIP3 387 10.708 11.899 -6.973 1.00 0.00 SOLV
1191 ATOM 1184 H1 TIP3 387 9.918 11.390 -6.729 1.00 0.00 SOLV
1192 ATOM 1185 H2 TIP3 387 11.011 11.454 -7.775 1.00 0.00 SOLV
1193 ATOM 1186 OH2 TIP3 388 8.867 11.468 0.407 1.00 0.00 SOLV
1194 ATOM 1187 H1 TIP3 388 8.821 11.735 1.328 1.00 0.00 SOLV
1195 ATOM 1188 H2 TIP3 388 8.430 10.595 0.441 1.00 0.00 SOLV
1196 ATOM 1189 OH2 TIP3 389 12.012 9.370 -12.738 1.00 0.00 SOLV
1197 ATOM 1190 H1 TIP3 389 11.304 9.583 -12.114 1.00 0.00 SOLV
1198 ATOM 1191 H2 TIP3 389 11.749 9.957 -13.478 1.00 0.00 SOLV
1199 ATOM 1192 OH2 TIP3 390 5.453 8.831 -5.901 1.00 0.00 SOLV
1200 ATOM 1193 H1 TIP3 390 5.987 8.914 -5.085 1.00 0.00 SOLV
1201 ATOM 1194 H2 TIP3 390 6.096 8.575 -6.575 1.00 0.00 SOLV
1202 ATOM 1195 OH2 TIP3 391 6.116 9.857 -10.514 1.00 0.00 SOLV
1203 ATOM 1196 H1 TIP3 391 6.813 10.365 -10.971 1.00 0.00 SOLV
1204 ATOM 1197 H2 TIP3 391 5.488 10.575 -10.288 1.00 0.00 SOLV
1205 ATOM 1198 OH2 TIP3 392 8.076 11.050 -6.764 1.00 0.00 SOLV
1206 ATOM 1199 H1 TIP3 392 7.389 11.370 -7.376 1.00 0.00 SOLV
1207 ATOM 1200 H2 TIP3 392 8.254 10.141 -7.083 1.00 0.00 SOLV
1208 ATOM 1201 OH2 TIP3 393 12.007 10.951 -9.580 1.00 0.00 SOLV
1209 ATOM 1202 H1 TIP3 393 12.580 11.599 -9.120 1.00 0.00 SOLV
1210 ATOM 1203 H2 TIP3 393 11.579 11.497 -10.287 1.00 0.00 SOLV
1211 ATOM 1204 OH2 TIP3 394 10.667 11.826 -11.704 1.00 0.00 SOLV
1212 ATOM 1205 H1 TIP3 394 9.696 11.734 -11.774 1.00 0.00 SOLV
1213 ATOM 1206 H2 TIP3 394 10.938 11.885 -12.633 1.00 0.00 SOLV
1214 ATOM 1207 OH2 TIP3 395 9.154 8.554 -7.442 1.00 0.00 SOLV
1215 ATOM 1208 H1 TIP3 395 8.764 7.696 -7.163 1.00 0.00 SOLV
1216 ATOM 1209 H2 TIP3 395 9.477 8.329 -8.327 1.00 0.00 SOLV
1217 ATOM 1210 OH2 TIP3 396 7.636 8.993 0.672 1.00 0.00 SOLV
1218 ATOM 1211 H1 TIP3 396 6.717 9.303 0.542 1.00 0.00 SOLV
1219 ATOM 1212 H2 TIP3 396 7.547 8.362 1.405 1.00 0.00 SOLV
1220 ATOM 1213 OH2 TIP3 397 10.957 8.542 -10.367 1.00 0.00 SOLV
1221 ATOM 1214 H1 TIP3 397 11.150 9.428 -9.993 1.00 0.00 SOLV
1222 ATOM 1215 H2 TIP3 397 11.751 8.407 -10.907 1.00 0.00 SOLV
1223 ATOM 1216 OH2 TIP3 398 7.878 11.738 -11.917 1.00 0.00 SOLV
1224 ATOM 1217 H1 TIP3 398 7.495 12.577 -11.563 1.00 0.00 SOLV
1225 ATOM 1218 H2 TIP3 398 7.649 11.807 -12.854 1.00 0.00 SOLV
1226 ATOM 1219 OH2 TIP3 399 8.110 6.368 -3.922 1.00 0.00 SOLV
1227 ATOM 1220 H1 TIP3 399 8.156 6.242 -4.893 1.00 0.00 SOLV
1228 ATOM 1221 H2 TIP3 399 7.859 5.476 -3.613 1.00 0.00 SOLV
1229 ATOM 1222 OH2 TIP3 400 11.365 13.035 1.777 1.00 0.00 SOLV
1230 ATOM 1223 H1 TIP3 400 10.597 13.594 1.634 1.00 0.00 SOLV
1231 ATOM 1224 H2 TIP3 400 11.999 13.466 1.161 1.00 0.00 SOLV
1232 ATOM 1225 OH2 TIP3 401 11.260 10.376 2.456 1.00 0.00 SOLV
1233 ATOM 1226 H1 TIP3 401 11.703 9.807 1.801 1.00 0.00 SOLV
1234 ATOM 1227 H2 TIP3 401 11.430 11.270 2.084 1.00 0.00 SOLV
1235 ATOM 1228 OH2 TIP3 402 12.318 8.746 0.191 1.00 0.00 SOLV
1236 ATOM 1229 H1 TIP3 402 12.797 9.305 -0.436 1.00 0.00 SOLV
1237 ATOM 1230 H2 TIP3 402 11.427 8.705 -0.220 1.00 0.00 SOLV
1238 ATOM 1231 OH2 TIP3 403 9.809 11.305 4.553 1.00 0.00 SOLV
1239 ATOM 1232 H1 TIP3 403 9.133 10.603 4.628 1.00 0.00 SOLV
1240 ATOM 1233 H2 TIP3 403 10.309 10.987 3.767 1.00 0.00 SOLV
1241 ATOM 1234 OH2 TIP3 404 13.109 6.064 0.696 1.00 0.00 SOLV
1242 ATOM 1235 H1 TIP3 404 12.922 7.022 0.591 1.00 0.00 SOLV
1243 ATOM 1236 H2 TIP3 404 12.313 5.678 0.280 1.00 0.00 SOLV
1244 ATOM 1237 OH2 TIP3 405 8.049 9.102 4.488 1.00 0.00 SOLV
1245 ATOM 1238 H1 TIP3 405 8.125 8.316 3.915 1.00 0.00 SOLV
1246 ATOM 1239 H2 TIP3 405 8.238 8.704 5.364 1.00 0.00 SOLV
1247 ATOM 1240 OH2 TIP3 406 12.779 5.554 3.431 1.00 0.00 SOLV
1248 ATOM 1241 H1 TIP3 406 13.630 5.148 3.680 1.00 0.00 SOLV
1249 ATOM 1242 H2 TIP3 406 12.919 5.711 2.476 1.00 0.00 SOLV
1250 ATOM 1243 OH2 TIP3 407 5.941 10.253 3.131 1.00 0.00 SOLV
1251 ATOM 1244 H1 TIP3 407 6.748 9.983 3.618 1.00 0.00 SOLV
1252 ATOM 1245 H2 TIP3 407 5.406 9.435 3.234 1.00 0.00 SOLV
1253 ATOM 1246 OH2 TIP3 408 6.824 8.736 -3.495 1.00 0.00 SOLV
1254 ATOM 1247 H1 TIP3 408 7.245 7.852 -3.578 1.00 0.00 SOLV
1255 ATOM 1248 H2 TIP3 408 7.612 9.286 -3.312 1.00 0.00 SOLV
1256 ATOM 1249 OH2 TIP3 409 5.115 12.066 -2.691 1.00 0.00 SOLV
1257 ATOM 1250 H1 TIP3 409 5.972 12.042 -3.156 1.00 0.00 SOLV
1258 ATOM 1251 H2 TIP3 409 5.271 12.831 -2.094 1.00 0.00 SOLV
1259 ATOM 1252 OH2 TIP3 410 5.713 7.835 -8.751 1.00 0.00 SOLV
1260 ATOM 1253 H1 TIP3 410 4.753 7.964 -8.627 1.00 0.00 SOLV
1261 ATOM 1254 H2 TIP3 410 5.941 8.605 -9.313 1.00 0.00 SOLV
1262 ATOM 1255 OH2 TIP3 411 5.561 6.134 -0.349 1.00 0.00 SOLV
1263 ATOM 1256 H1 TIP3 411 4.870 6.133 0.340 1.00 0.00 SOLV
1264 ATOM 1257 H2 TIP3 411 5.341 6.963 -0.827 1.00 0.00 SOLV
1265 ATOM 1258 OH2 TIP3 412 8.130 6.019 -6.674 1.00 0.00 SOLV
1266 ATOM 1259 H1 TIP3 412 7.187 5.780 -6.810 1.00 0.00 SOLV
1267 ATOM 1260 H2 TIP3 412 8.544 5.138 -6.791 1.00 0.00 SOLV
1268 ATOM 1261 OH2 TIP3 413 6.706 5.880 -10.512 1.00 0.00 SOLV
1269 ATOM 1262 H1 TIP3 413 7.376 6.452 -10.952 1.00 0.00 SOLV
1270 ATOM 1263 H2 TIP3 413 6.347 6.512 -9.850 1.00 0.00 SOLV
1271 ATOM 1264 OH2 TIP3 414 12.373 5.974 -6.479 1.00 0.00 SOLV
1272 ATOM 1265 H1 TIP3 414 13.230 6.379 -6.648 1.00 0.00 SOLV
1273 ATOM 1266 H2 TIP3 414 12.158 6.287 -5.590 1.00 0.00 SOLV
1274 ATOM 1267 OH2 TIP3 415 8.669 7.316 -11.718 1.00 0.00 SOLV
1275 ATOM 1268 H1 TIP3 415 8.933 7.168 -12.636 1.00 0.00 SOLV
1276 ATOM 1269 H2 TIP3 415 9.438 7.769 -11.325 1.00 0.00 SOLV
1277 ATOM 1270 OH2 TIP3 416 8.114 6.769 2.814 1.00 0.00 SOLV
1278 ATOM 1271 H1 TIP3 416 7.560 6.014 3.105 1.00 0.00 SOLV
1279 ATOM 1272 H2 TIP3 416 8.951 6.544 3.276 1.00 0.00 SOLV
1280 ATOM 1273 OH2 TIP3 417 10.211 5.992 4.537 1.00 0.00 SOLV
1281 ATOM 1274 H1 TIP3 417 11.111 5.935 4.147 1.00 0.00 SOLV
1282 ATOM 1275 H2 TIP3 417 10.137 5.094 4.901 1.00 0.00 SOLV
1283 ATOM 1276 OH2 TIP3 418 -1.130 -3.240 11.993 1.00 0.00 SOLV
1284 ATOM 1277 H1 TIP3 418 -1.346 -2.293 11.833 1.00 0.00 SOLV
1285 ATOM 1278 H2 TIP3 418 -1.832 -3.650 11.444 1.00 0.00 SOLV
1286 ATOM 1279 OH2 TIP3 419 -13.113 -6.867 11.251 1.00 0.00 SOLV
1287 ATOM 1280 H1 TIP3 419 -12.563 -6.145 11.626 1.00 0.00 SOLV
1288 ATOM 1281 H2 TIP3 419 -13.894 -6.790 11.827 1.00 0.00 SOLV
1289 ATOM 1282 OH2 TIP3 420 -11.956 -4.794 12.472 1.00 0.00 SOLV
1290 ATOM 1283 H1 TIP3 420 -11.934 -4.572 13.428 1.00 0.00 SOLV
1291 ATOM 1284 H2 TIP3 420 -12.304 -3.983 12.085 1.00 0.00 SOLV
1292 ATOM 1285 OH2 TIP3 421 -0.035 -9.289 11.891 1.00 0.00 SOLV
1293 ATOM 1286 H1 TIP3 421 0.101 -9.459 12.834 1.00 0.00 SOLV
1294 ATOM 1287 H2 TIP3 421 0.784 -8.819 11.682 1.00 0.00 SOLV
1295 ATOM 1288 OH2 TIP3 422 -1.641 -0.791 10.826 1.00 0.00 SOLV
1296 ATOM 1289 H1 TIP3 422 -1.860 -0.790 9.874 1.00 0.00 SOLV
1297 ATOM 1290 H2 TIP3 422 -2.141 0.009 11.098 1.00 0.00 SOLV
1298 ATOM 1291 OH2 TIP3 423 -11.826 -0.808 9.693 1.00 0.00 SOLV
1299 ATOM 1292 H1 TIP3 423 -12.064 -0.436 8.826 1.00 0.00 SOLV
1300 ATOM 1293 H2 TIP3 423 -11.702 -0.010 10.242 1.00 0.00 SOLV
1301 ATOM 1294 OH2 TIP3 424 -0.309 2.627 11.974 1.00 0.00 SOLV
1302 ATOM 1295 H1 TIP3 424 0.104 1.737 12.060 1.00 0.00 SOLV
1303 ATOM 1296 H2 TIP3 424 0.293 3.142 12.542 1.00 0.00 SOLV
1304 ATOM 1297 OH2 TIP3 425 0.709 0.130 12.107 1.00 0.00 SOLV
1305 ATOM 1298 H1 TIP3 425 -0.056 -0.312 11.690 1.00 0.00 SOLV
1306 ATOM 1299 H2 TIP3 425 0.859 -0.416 12.902 1.00 0.00 SOLV
1307 ATOM 1300 OH2 TIP3 426 -2.760 -4.231 10.021 1.00 0.00 SOLV
1308 ATOM 1301 H1 TIP3 426 -3.448 -3.582 9.747 1.00 0.00 SOLV
1309 ATOM 1302 H2 TIP3 426 -2.182 -4.239 9.239 1.00 0.00 SOLV
1310 ATOM 1303 OH2 TIP3 427 -2.796 -5.500 6.531 1.00 0.00 SOLV
1311 ATOM 1304 H1 TIP3 427 -2.177 -5.254 7.242 1.00 0.00 SOLV
1312 ATOM 1305 H2 TIP3 427 -2.220 -6.077 5.987 1.00 0.00 SOLV
1313 ATOM 1306 OH2 TIP3 428 0.903 -4.029 10.353 1.00 0.00 SOLV
1314 ATOM 1307 H1 TIP3 428 0.240 -3.734 11.017 1.00 0.00 SOLV
1315 ATOM 1308 H2 TIP3 428 1.597 -4.400 10.917 1.00 0.00 SOLV
1316 ATOM 1309 OH2 TIP3 429 -7.626 -3.815 12.265 1.00 0.00 SOLV
1317 ATOM 1310 H1 TIP3 429 -8.034 -3.936 11.386 1.00 0.00 SOLV
1318 ATOM 1311 H2 TIP3 429 -7.491 -4.740 12.522 1.00 0.00 SOLV
1319 ATOM 1312 OH2 TIP3 430 -0.637 -4.719 8.175 1.00 0.00 SOLV
1320 ATOM 1313 H1 TIP3 430 -0.015 -4.352 8.843 1.00 0.00 SOLV
1321 ATOM 1314 H2 TIP3 430 -0.155 -4.529 7.339 1.00 0.00 SOLV
1322 ATOM 1315 OH2 TIP3 431 -2.765 1.664 11.319 1.00 0.00 SOLV
1323 ATOM 1316 H1 TIP3 431 -1.886 2.067 11.473 1.00 0.00 SOLV
1324 ATOM 1317 H2 TIP3 431 -3.251 2.453 11.003 1.00 0.00 SOLV
1325 ATOM 1318 OH2 TIP3 432 3.486 -12.846 8.834 1.00 0.00 SOLV
1326 ATOM 1319 H1 TIP3 432 2.589 -12.593 9.125 1.00 0.00 SOLV
1327 ATOM 1320 H2 TIP3 432 3.681 -12.168 8.153 1.00 0.00 SOLV
1328 ATOM 1321 OH2 TIP3 433 -8.623 -4.443 9.795 1.00 0.00 SOLV
1329 ATOM 1322 H1 TIP3 433 -9.256 -3.818 9.368 1.00 0.00 SOLV
1330 ATOM 1323 H2 TIP3 433 -9.088 -5.283 9.706 1.00 0.00 SOLV
1331 ATOM 1324 OH2 TIP3 434 4.329 1.181 6.832 1.00 0.00 SOLV
1332 ATOM 1325 H1 TIP3 434 4.507 2.147 6.805 1.00 0.00 SOLV
1333 ATOM 1326 H2 TIP3 434 5.236 0.820 6.747 1.00 0.00 SOLV
1334 ATOM 1327 OH2 TIP3 435 -3.266 4.297 10.545 1.00 0.00 SOLV
1335 ATOM 1328 H1 TIP3 435 -3.446 4.379 9.579 1.00 0.00 SOLV
1336 ATOM 1329 H2 TIP3 435 -3.411 5.218 10.824 1.00 0.00 SOLV
1337 ATOM 1330 OH2 TIP3 436 -9.955 3.764 12.203 1.00 0.00 SOLV
1338 ATOM 1331 H1 TIP3 436 -9.939 3.562 13.171 1.00 0.00 SOLV
1339 ATOM 1332 H2 TIP3 436 -10.440 2.989 11.865 1.00 0.00 SOLV
1340 ATOM 1333 OH2 TIP3 437 -0.345 4.343 6.907 1.00 0.00 SOLV
1341 ATOM 1334 H1 TIP3 437 0.152 3.532 6.660 1.00 0.00 SOLV
1342 ATOM 1335 H2 TIP3 437 -0.484 4.193 7.864 1.00 0.00 SOLV
1343 ATOM 1336 OH2 TIP3 438 -0.635 4.026 9.654 1.00 0.00 SOLV
1344 ATOM 1337 H1 TIP3 438 -1.587 4.131 9.852 1.00 0.00 SOLV
1345 ATOM 1338 H2 TIP3 438 -0.383 3.454 10.410 1.00 0.00 SOLV
1346 ATOM 1339 OH2 TIP3 439 0.637 -4.521 5.724 1.00 0.00 SOLV
1347 ATOM 1340 H1 TIP3 439 0.612 -4.268 4.777 1.00 0.00 SOLV
1348 ATOM 1341 H2 TIP3 439 1.528 -4.181 5.959 1.00 0.00 SOLV
1349 ATOM 1342 OH2 TIP3 440 -3.666 -10.345 7.007 1.00 0.00 SOLV
1350 ATOM 1343 H1 TIP3 440 -4.277 -10.515 7.754 1.00 0.00 SOLV
1351 ATOM 1344 H2 TIP3 440 -4.088 -10.865 6.299 1.00 0.00 SOLV
1352 ATOM 1345 OH2 TIP3 441 -7.652 -7.071 12.445 1.00 0.00 SOLV
1353 ATOM 1346 H1 TIP3 441 -8.616 -7.238 12.432 1.00 0.00 SOLV
1354 ATOM 1347 H2 TIP3 441 -7.456 -7.253 11.500 1.00 0.00 SOLV
1355 ATOM 1348 OH2 TIP3 442 -2.624 -6.838 10.947 1.00 0.00 SOLV
1356 ATOM 1349 H1 TIP3 442 -2.761 -5.898 10.707 1.00 0.00 SOLV
1357 ATOM 1350 H2 TIP3 442 -1.860 -7.069 10.386 1.00 0.00 SOLV
1358 ATOM 1351 OH2 TIP3 443 -6.656 -9.600 5.747 1.00 0.00 SOLV
1359 ATOM 1352 H1 TIP3 443 -7.022 -9.796 6.635 1.00 0.00 SOLV
1360 ATOM 1353 H2 TIP3 443 -7.288 -8.912 5.461 1.00 0.00 SOLV
1361 ATOM 1354 OH2 TIP3 444 -12.717 -10.403 12.266 1.00 0.00 SOLV
1362 ATOM 1355 H1 TIP3 444 -12.889 -9.553 12.720 1.00 0.00 SOLV
1363 ATOM 1356 H2 TIP3 444 -11.757 -10.488 12.360 1.00 0.00 SOLV
1364 ATOM 1357 OH2 TIP3 445 -12.032 -8.877 8.727 1.00 0.00 SOLV
1365 ATOM 1358 H1 TIP3 445 -11.550 -8.609 7.921 1.00 0.00 SOLV
1366 ATOM 1359 H2 TIP3 445 -12.695 -8.181 8.733 1.00 0.00 SOLV
1367 ATOM 1360 OH2 TIP3 446 -10.291 -7.907 11.974 1.00 0.00 SOLV
1368 ATOM 1361 H1 TIP3 446 -10.971 -7.831 11.282 1.00 0.00 SOLV
1369 ATOM 1362 H2 TIP3 446 -9.998 -8.834 11.872 1.00 0.00 SOLV
1370 ATOM 1363 OH2 TIP3 447 -7.262 -7.804 9.799 1.00 0.00 SOLV
1371 ATOM 1364 H1 TIP3 447 -6.299 -7.942 9.873 1.00 0.00 SOLV
1372 ATOM 1365 H2 TIP3 447 -7.349 -7.408 8.901 1.00 0.00 SOLV
1373 ATOM 1366 OH2 TIP3 448 -7.545 -6.865 7.270 1.00 0.00 SOLV
1374 ATOM 1367 H1 TIP3 448 -8.042 -7.099 6.462 1.00 0.00 SOLV
1375 ATOM 1368 H2 TIP3 448 -6.824 -6.322 6.885 1.00 0.00 SOLV
1376 ATOM 1369 OH2 TIP3 449 -9.505 -10.624 12.091 1.00 0.00 SOLV
1377 ATOM 1370 H1 TIP3 449 -9.877 -11.500 11.823 1.00 0.00 SOLV
1378 ATOM 1371 H2 TIP3 449 -8.602 -10.715 11.760 1.00 0.00 SOLV
1379 ATOM 1372 OH2 TIP3 450 -4.649 -2.342 9.283 1.00 0.00 SOLV
1380 ATOM 1373 H1 TIP3 450 -5.432 -2.618 8.758 1.00 0.00 SOLV
1381 ATOM 1374 H2 TIP3 450 -5.076 -2.079 10.131 1.00 0.00 SOLV
1382 ATOM 1375 OH2 TIP3 451 -1.150 -9.461 7.534 1.00 0.00 SOLV
1383 ATOM 1376 H1 TIP3 451 -2.120 -9.557 7.384 1.00 0.00 SOLV
1384 ATOM 1377 H2 TIP3 451 -1.074 -8.597 7.990 1.00 0.00 SOLV
1385 ATOM 1378 OH2 TIP3 452 -0.452 -7.313 9.167 1.00 0.00 SOLV
1386 ATOM 1379 H1 TIP3 452 0.448 -7.441 9.525 1.00 0.00 SOLV
1387 ATOM 1380 H2 TIP3 452 -0.397 -6.414 8.788 1.00 0.00 SOLV
1388 ATOM 1381 OH2 TIP3 453 -2.898 -0.463 8.304 1.00 0.00 SOLV
1389 ATOM 1382 H1 TIP3 453 -3.377 0.377 8.404 1.00 0.00 SOLV
1390 ATOM 1383 H2 TIP3 453 -3.589 -1.115 8.557 1.00 0.00 SOLV
1391 ATOM 1384 OH2 TIP3 454 4.269 -6.886 8.790 1.00 0.00 SOLV
1392 ATOM 1385 H1 TIP3 454 3.838 -7.084 7.921 1.00 0.00 SOLV
1393 ATOM 1386 H2 TIP3 454 4.513 -5.951 8.603 1.00 0.00 SOLV
1394 ATOM 1387 OH2 TIP3 455 3.189 1.525 9.381 1.00 0.00 SOLV
1395 ATOM 1388 H1 TIP3 455 2.517 0.857 9.575 1.00 0.00 SOLV
1396 ATOM 1389 H2 TIP3 455 3.464 1.287 8.474 1.00 0.00 SOLV
1397 ATOM 1390 OH2 TIP3 456 -7.463 0.591 11.911 1.00 0.00 SOLV
1398 ATOM 1391 H1 TIP3 456 -7.151 1.514 11.999 1.00 0.00 SOLV
1399 ATOM 1392 H2 TIP3 456 -8.273 0.735 11.403 1.00 0.00 SOLV
1400 ATOM 1393 OH2 TIP3 457 -11.832 -4.498 7.087 1.00 0.00 SOLV
1401 ATOM 1394 H1 TIP3 457 -11.217 -3.916 7.589 1.00 0.00 SOLV
1402 ATOM 1395 H2 TIP3 457 -12.687 -4.108 7.330 1.00 0.00 SOLV
1403 ATOM 1396 OH2 TIP3 458 -5.965 -1.619 11.576 1.00 0.00 SOLV
1404 ATOM 1397 H1 TIP3 458 -6.580 -0.867 11.650 1.00 0.00 SOLV
1405 ATOM 1398 H2 TIP3 458 -6.522 -2.371 11.889 1.00 0.00 SOLV
1406 ATOM 1399 OH2 TIP3 459 -7.202 3.326 11.707 1.00 0.00 SOLV
1407 ATOM 1400 H1 TIP3 459 -8.116 3.640 11.857 1.00 0.00 SOLV
1408 ATOM 1401 H2 TIP3 459 -7.018 3.627 10.809 1.00 0.00 SOLV
1409 ATOM 1402 OH2 TIP3 460 0.623 -0.298 6.924 1.00 0.00 SOLV
1410 ATOM 1403 H1 TIP3 460 0.835 -0.847 7.716 1.00 0.00 SOLV
1411 ATOM 1404 H2 TIP3 460 -0.329 -0.455 6.799 1.00 0.00 SOLV
1412 ATOM 1405 OH2 TIP3 461 4.845 3.881 7.019 1.00 0.00 SOLV
1413 ATOM 1406 H1 TIP3 461 5.101 4.607 6.426 1.00 0.00 SOLV
1414 ATOM 1407 H2 TIP3 461 4.144 4.337 7.533 1.00 0.00 SOLV
1415 ATOM 1408 OH2 TIP3 462 1.636 -1.739 8.986 1.00 0.00 SOLV
1416 ATOM 1409 H1 TIP3 462 1.296 -2.472 9.531 1.00 0.00 SOLV
1417 ATOM 1410 H2 TIP3 462 2.598 -1.851 9.138 1.00 0.00 SOLV
1418 ATOM 1411 OH2 TIP3 463 -7.261 0.337 8.589 1.00 0.00 SOLV
1419 ATOM 1412 H1 TIP3 463 -6.508 0.098 9.137 1.00 0.00 SOLV
1420 ATOM 1413 H2 TIP3 463 -6.840 1.067 8.077 1.00 0.00 SOLV
1421 ATOM 1414 OH2 TIP3 464 -10.309 -2.726 8.524 1.00 0.00 SOLV
1422 ATOM 1415 H1 TIP3 464 -10.878 -2.170 9.104 1.00 0.00 SOLV
1423 ATOM 1416 H2 TIP3 464 -9.852 -2.008 8.038 1.00 0.00 SOLV
1424 ATOM 1417 OH2 TIP3 465 -1.261 -10.762 9.986 1.00 0.00 SOLV
1425 ATOM 1418 H1 TIP3 465 -1.161 -10.307 9.125 1.00 0.00 SOLV
1426 ATOM 1419 H2 TIP3 465 -0.885 -10.095 10.612 1.00 0.00 SOLV
1427 ATOM 1420 OH2 TIP3 466 -4.734 -8.561 10.909 1.00 0.00 SOLV
1428 ATOM 1421 H1 TIP3 466 -3.962 -7.947 10.944 1.00 0.00 SOLV
1429 ATOM 1422 H2 TIP3 466 -4.943 -8.674 11.847 1.00 0.00 SOLV
1430 ATOM 1423 OH2 TIP3 467 -3.314 -11.723 11.478 1.00 0.00 SOLV
1431 ATOM 1424 H1 TIP3 467 -3.309 -10.991 12.106 1.00 0.00 SOLV
1432 ATOM 1425 H2 TIP3 467 -2.633 -11.414 10.842 1.00 0.00 SOLV
1433 ATOM 1426 OH2 TIP3 468 -7.799 -10.150 8.172 1.00 0.00 SOLV
1434 ATOM 1427 H1 TIP3 468 -7.972 -9.400 8.768 1.00 0.00 SOLV
1435 ATOM 1428 H2 TIP3 468 -6.949 -10.473 8.545 1.00 0.00 SOLV
1436 ATOM 1429 OH2 TIP3 469 -9.409 -0.455 7.168 1.00 0.00 SOLV
1437 ATOM 1430 H1 TIP3 469 -8.700 -0.042 7.716 1.00 0.00 SOLV
1438 ATOM 1431 H2 TIP3 469 -8.850 -0.985 6.557 1.00 0.00 SOLV
1439 ATOM 1432 OH2 TIP3 470 -11.472 -7.239 6.658 1.00 0.00 SOLV
1440 ATOM 1433 H1 TIP3 470 -11.580 -6.285 6.829 1.00 0.00 SOLV
1441 ATOM 1434 H2 TIP3 470 -11.721 -7.328 5.731 1.00 0.00 SOLV
1442 ATOM 1435 OH2 TIP3 471 -11.569 1.656 11.132 1.00 0.00 SOLV
1443 ATOM 1436 H1 TIP3 471 -12.402 1.704 11.631 1.00 0.00 SOLV
1444 ATOM 1437 H2 TIP3 471 -11.693 2.306 10.401 1.00 0.00 SOLV
1445 ATOM 1438 OH2 TIP3 472 -3.497 2.162 5.031 1.00 0.00 SOLV
1446 ATOM 1439 H1 TIP3 472 -4.142 2.220 5.768 1.00 0.00 SOLV
1447 ATOM 1440 H2 TIP3 472 -3.108 1.286 5.183 1.00 0.00 SOLV
1448 ATOM 1441 OH2 TIP3 473 1.075 2.212 5.989 1.00 0.00 SOLV
1449 ATOM 1442 H1 TIP3 473 1.013 1.328 6.411 1.00 0.00 SOLV
1450 ATOM 1443 H2 TIP3 473 1.913 2.152 5.499 1.00 0.00 SOLV
1451 ATOM 1444 OH2 TIP3 474 -7.949 -2.220 5.716 1.00 0.00 SOLV
1452 ATOM 1445 H1 TIP3 474 -7.582 -2.655 6.511 1.00 0.00 SOLV
1453 ATOM 1446 H2 TIP3 474 -7.110 -2.101 5.214 1.00 0.00 SOLV
1454 ATOM 1447 OH2 TIP3 475 -2.018 -0.420 5.673 1.00 0.00 SOLV
1455 ATOM 1448 H1 TIP3 475 -2.432 -0.465 6.560 1.00 0.00 SOLV
1456 ATOM 1449 H2 TIP3 475 -2.181 -1.335 5.350 1.00 0.00 SOLV
1457 ATOM 1450 OH2 TIP3 476 -6.755 -3.462 7.935 1.00 0.00 SOLV
1458 ATOM 1451 H1 TIP3 476 -7.296 -3.973 8.568 1.00 0.00 SOLV
1459 ATOM 1452 H2 TIP3 476 -6.351 -4.161 7.377 1.00 0.00 SOLV
1460 ATOM 1453 OH2 TIP3 477 -5.544 -5.293 6.265 1.00 0.00 SOLV
1461 ATOM 1454 H1 TIP3 477 -5.536 -5.061 5.311 1.00 0.00 SOLV
1462 ATOM 1455 H2 TIP3 477 -4.581 -5.404 6.424 1.00 0.00 SOLV
1463 ATOM 1456 OH2 TIP3 478 3.195 -3.515 5.853 1.00 0.00 SOLV
1464 ATOM 1457 H1 TIP3 478 3.340 -3.661 4.897 1.00 0.00 SOLV
1465 ATOM 1458 H2 TIP3 478 3.131 -2.529 5.850 1.00 0.00 SOLV
1466 ATOM 1459 OH2 TIP3 479 -12.099 -0.331 6.883 1.00 0.00 SOLV
1467 ATOM 1460 H1 TIP3 479 -11.128 -0.217 7.006 1.00 0.00 SOLV
1468 ATOM 1461 H2 TIP3 479 -12.083 -1.057 6.225 1.00 0.00 SOLV
1469 ATOM 1462 OH2 TIP3 480 4.240 -2.311 9.611 1.00 0.00 SOLV
1470 ATOM 1463 H1 TIP3 480 5.000 -1.703 9.718 1.00 0.00 SOLV
1471 ATOM 1464 H2 TIP3 480 4.340 -2.912 10.385 1.00 0.00 SOLV
1472 ATOM 1465 OH2 TIP3 481 4.474 -4.269 11.473 1.00 0.00 SOLV
1473 ATOM 1466 H1 TIP3 481 3.800 -4.792 11.951 1.00 0.00 SOLV
1474 ATOM 1467 H2 TIP3 481 5.265 -4.362 12.042 1.00 0.00 SOLV
1475 ATOM 1468 OH2 TIP3 482 4.847 -4.364 7.871 1.00 0.00 SOLV
1476 ATOM 1469 H1 TIP3 482 4.269 -4.135 7.108 1.00 0.00 SOLV
1477 ATOM 1470 H2 TIP3 482 4.616 -3.629 8.478 1.00 0.00 SOLV
1478 ATOM 1471 OH2 TIP3 483 3.180 -7.275 6.323 1.00 0.00 SOLV
1479 ATOM 1472 H1 TIP3 483 3.034 -6.769 5.514 1.00 0.00 SOLV
1480 ATOM 1473 H2 TIP3 483 2.847 -8.153 6.033 1.00 0.00 SOLV
1481 ATOM 1474 OH2 TIP3 484 2.350 -5.732 12.437 1.00 0.00 SOLV
1482 ATOM 1475 H1 TIP3 484 2.092 -6.457 11.830 1.00 0.00 SOLV
1483 ATOM 1476 H2 TIP3 484 1.533 -5.524 12.924 1.00 0.00 SOLV
1484 ATOM 1477 OH2 TIP3 485 2.263 -9.691 5.482 1.00 0.00 SOLV
1485 ATOM 1478 H1 TIP3 485 2.858 -10.305 5.956 1.00 0.00 SOLV
1486 ATOM 1479 H2 TIP3 485 1.439 -10.201 5.400 1.00 0.00 SOLV
1487 ATOM 1480 OH2 TIP3 486 2.148 -7.727 10.437 1.00 0.00 SOLV
1488 ATOM 1481 H1 TIP3 486 2.437 -8.668 10.499 1.00 0.00 SOLV
1489 ATOM 1482 H2 TIP3 486 2.878 -7.371 9.888 1.00 0.00 SOLV
1490 ATOM 1483 OH2 TIP3 487 2.833 -10.388 10.745 1.00 0.00 SOLV
1491 ATOM 1484 H1 TIP3 487 3.132 -10.787 11.591 1.00 0.00 SOLV
1492 ATOM 1485 H2 TIP3 487 2.160 -11.040 10.470 1.00 0.00 SOLV
1493 ATOM 1486 OH2 TIP3 488 4.262 -11.023 6.948 1.00 0.00 SOLV
1494 ATOM 1487 H1 TIP3 488 4.894 -11.494 6.364 1.00 0.00 SOLV
1495 ATOM 1488 H2 TIP3 488 4.839 -10.330 7.329 1.00 0.00 SOLV
1496 ATOM 1489 OH2 TIP3 489 -13.346 -11.106 9.458 1.00 0.00 SOLV
1497 ATOM 1490 H1 TIP3 489 -13.290 -11.108 10.426 1.00 0.00 SOLV
1498 ATOM 1491 H2 TIP3 489 -12.758 -10.340 9.245 1.00 0.00 SOLV
1499 ATOM 1492 OH2 TIP3 490 2.126 3.978 12.776 1.00 0.00 SOLV
1500 ATOM 1493 H1 TIP3 490 2.641 3.896 11.947 1.00 0.00 SOLV
1501 ATOM 1494 H2 TIP3 490 2.247 4.918 12.973 1.00 0.00 SOLV
1502 ATOM 1495 OH2 TIP3 491 3.821 -11.814 12.896 1.00 0.00 SOLV
1503 ATOM 1496 H1 TIP3 491 3.816 -12.789 12.840 1.00 0.00 SOLV
1504 ATOM 1497 H2 TIP3 491 4.773 -11.586 12.826 1.00 0.00 SOLV
1505 ATOM 1498 OH2 TIP3 492 -10.664 -12.971 11.463 1.00 0.00 SOLV
1506 ATOM 1499 H1 TIP3 492 -11.547 -13.317 11.250 1.00 0.00 SOLV
1507 ATOM 1500 H2 TIP3 492 -10.200 -13.807 11.641 1.00 0.00 SOLV
1508 ATOM 1501 OH2 TIP3 493 -12.067 -12.692 7.593 1.00 0.00 SOLV
1509 ATOM 1502 H1 TIP3 493 -11.344 -12.067 7.395 1.00 0.00 SOLV
1510 ATOM 1503 H2 TIP3 493 -12.592 -12.185 8.245 1.00 0.00 SOLV
1511 ATOM 1504 OH2 TIP3 494 -6.052 -12.004 11.567 1.00 0.00 SOLV
1512 ATOM 1505 H1 TIP3 494 -5.075 -12.020 11.610 1.00 0.00 SOLV
1513 ATOM 1506 H2 TIP3 494 -6.257 -12.486 12.392 1.00 0.00 SOLV
1514 ATOM 1507 OH2 TIP3 495 0.967 -12.322 9.842 1.00 0.00 SOLV
1515 ATOM 1508 H1 TIP3 495 0.154 -11.790 9.974 1.00 0.00 SOLV
1516 ATOM 1509 H2 TIP3 495 0.571 -13.184 9.595 1.00 0.00 SOLV
1517 ATOM 1510 OH2 TIP3 496 -11.845 3.450 9.053 1.00 0.00 SOLV
1518 ATOM 1511 H1 TIP3 496 -12.755 3.198 8.793 1.00 0.00 SOLV
1519 ATOM 1512 H2 TIP3 496 -11.818 4.383 8.769 1.00 0.00 SOLV
1520 ATOM 1513 OH2 TIP3 497 -9.848 -11.222 6.662 1.00 0.00 SOLV
1521 ATOM 1514 H1 TIP3 497 -9.370 -11.931 6.202 1.00 0.00 SOLV
1522 ATOM 1515 H2 TIP3 497 -9.158 -10.873 7.270 1.00 0.00 SOLV
1523 ATOM 1516 OH2 TIP3 498 -5.341 -10.651 9.230 1.00 0.00 SOLV
1524 ATOM 1517 H1 TIP3 498 -5.597 -11.277 9.940 1.00 0.00 SOLV
1525 ATOM 1518 H2 TIP3 498 -5.017 -9.905 9.780 1.00 0.00 SOLV
1526 ATOM 1519 OH2 TIP3 499 -3.365 4.770 7.901 1.00 0.00 SOLV
1527 ATOM 1520 H1 TIP3 499 -2.785 4.640 7.140 1.00 0.00 SOLV
1528 ATOM 1521 H2 TIP3 499 -4.092 4.140 7.694 1.00 0.00 SOLV
1529 ATOM 1522 OH2 TIP3 500 3.760 3.910 10.525 1.00 0.00 SOLV
1530 ATOM 1523 H1 TIP3 500 3.543 3.031 10.129 1.00 0.00 SOLV
1531 ATOM 1524 H2 TIP3 500 3.582 4.493 9.758 1.00 0.00 SOLV
1532 ATOM 1525 OH2 TIP3 501 -9.725 3.842 6.104 1.00 0.00 SOLV
1533 ATOM 1526 H1 TIP3 501 -10.072 3.776 7.007 1.00 0.00 SOLV
1534 ATOM 1527 H2 TIP3 501 -8.965 3.241 6.153 1.00 0.00 SOLV
1535 ATOM 1528 OH2 TIP3 502 6.286 -7.025 10.980 1.00 0.00 SOLV
1536 ATOM 1529 H1 TIP3 502 6.155 -6.165 11.407 1.00 0.00 SOLV
1537 ATOM 1530 H2 TIP3 502 5.589 -7.020 10.302 1.00 0.00 SOLV
1538 ATOM 1531 OH2 TIP3 503 6.825 -4.596 12.786 1.00 0.00 SOLV
1539 ATOM 1532 H1 TIP3 503 6.967 -4.723 13.747 1.00 0.00 SOLV
1540 ATOM 1533 H2 TIP3 503 7.579 -4.036 12.571 1.00 0.00 SOLV
1541 ATOM 1534 OH2 TIP3 504 6.531 -0.708 9.430 1.00 0.00 SOLV
1542 ATOM 1535 H1 TIP3 504 6.471 -0.334 8.528 1.00 0.00 SOLV
1543 ATOM 1536 H2 TIP3 504 6.804 0.074 9.951 1.00 0.00 SOLV
1544 ATOM 1537 OH2 TIP3 505 11.914 -4.213 11.757 1.00 0.00 SOLV
1545 ATOM 1538 H1 TIP3 505 11.300 -4.150 11.006 1.00 0.00 SOLV
1546 ATOM 1539 H2 TIP3 505 11.727 -5.125 12.043 1.00 0.00 SOLV
1547 ATOM 1540 OH2 TIP3 506 10.099 -4.361 9.710 1.00 0.00 SOLV
1548 ATOM 1541 H1 TIP3 506 9.543 -3.605 9.406 1.00 0.00 SOLV
1549 ATOM 1542 H2 TIP3 506 9.460 -5.080 9.637 1.00 0.00 SOLV
1550 ATOM 1543 OH2 TIP3 507 8.964 3.520 12.144 1.00 0.00 SOLV
1551 ATOM 1544 H1 TIP3 507 8.866 3.449 13.123 1.00 0.00 SOLV
1552 ATOM 1545 H2 TIP3 507 8.352 2.831 11.833 1.00 0.00 SOLV
1553 ATOM 1546 OH2 TIP3 508 11.109 -6.940 11.910 1.00 0.00 SOLV
1554 ATOM 1547 H1 TIP3 508 10.177 -7.164 12.103 1.00 0.00 SOLV
1555 ATOM 1548 H2 TIP3 508 11.231 -7.369 11.041 1.00 0.00 SOLV
1556 ATOM 1549 OH2 TIP3 509 12.583 -9.303 5.359 1.00 0.00 SOLV
1557 ATOM 1550 H1 TIP3 509 12.359 -9.753 6.189 1.00 0.00 SOLV
1558 ATOM 1551 H2 TIP3 509 11.768 -8.797 5.188 1.00 0.00 SOLV
1559 ATOM 1552 OH2 TIP3 510 6.176 -10.485 12.837 1.00 0.00 SOLV
1560 ATOM 1553 H1 TIP3 510 6.642 -9.706 13.157 1.00 0.00 SOLV
1561 ATOM 1554 H2 TIP3 510 6.402 -10.507 11.893 1.00 0.00 SOLV
1562 ATOM 1555 OH2 TIP3 511 5.841 -9.108 8.261 1.00 0.00 SOLV
1563 ATOM 1556 H1 TIP3 511 6.590 -8.621 7.853 1.00 0.00 SOLV
1564 ATOM 1557 H2 TIP3 511 5.272 -8.356 8.521 1.00 0.00 SOLV
1565 ATOM 1558 OH2 TIP3 512 8.542 -7.904 12.353 1.00 0.00 SOLV
1566 ATOM 1559 H1 TIP3 512 7.784 -7.694 11.763 1.00 0.00 SOLV
1567 ATOM 1560 H2 TIP3 512 8.765 -8.831 12.109 1.00 0.00 SOLV
1568 ATOM 1561 OH2 TIP3 513 11.976 -7.809 9.373 1.00 0.00 SOLV
1569 ATOM 1562 H1 TIP3 513 12.752 -7.387 9.800 1.00 0.00 SOLV
1570 ATOM 1563 H2 TIP3 513 11.773 -7.220 8.620 1.00 0.00 SOLV
1571 ATOM 1564 OH2 TIP3 514 10.768 -6.545 7.144 1.00 0.00 SOLV
1572 ATOM 1565 H1 TIP3 514 9.841 -6.799 7.261 1.00 0.00 SOLV
1573 ATOM 1566 H2 TIP3 514 10.885 -6.855 6.218 1.00 0.00 SOLV
1574 ATOM 1567 OH2 TIP3 515 9.487 -10.440 11.834 1.00 0.00 SOLV
1575 ATOM 1568 H1 TIP3 515 9.071 -11.318 12.013 1.00 0.00 SOLV
1576 ATOM 1569 H2 TIP3 515 10.119 -10.699 11.154 1.00 0.00 SOLV
1577 ATOM 1570 OH2 TIP3 516 11.235 0.290 11.317 1.00 0.00 SOLV
1578 ATOM 1571 H1 TIP3 516 11.777 0.913 11.829 1.00 0.00 SOLV
1579 ATOM 1572 H2 TIP3 516 10.648 0.890 10.838 1.00 0.00 SOLV
1580 ATOM 1573 OH2 TIP3 517 7.434 -4.719 7.050 1.00 0.00 SOLV
1581 ATOM 1574 H1 TIP3 517 7.852 -3.985 7.547 1.00 0.00 SOLV
1582 ATOM 1575 H2 TIP3 517 6.501 -4.609 7.344 1.00 0.00 SOLV
1583 ATOM 1576 OH2 TIP3 518 12.579 -1.666 12.614 1.00 0.00 SOLV
1584 ATOM 1577 H1 TIP3 518 12.048 -1.147 11.981 1.00 0.00 SOLV
1585 ATOM 1578 H2 TIP3 518 12.480 -2.579 12.244 1.00 0.00 SOLV
1586 ATOM 1579 OH2 TIP3 519 11.410 3.740 10.922 1.00 0.00 SOLV
1587 ATOM 1580 H1 TIP3 519 10.544 3.717 11.378 1.00 0.00 SOLV
1588 ATOM 1581 H2 TIP3 519 11.855 4.467 11.411 1.00 0.00 SOLV
1589 ATOM 1582 OH2 TIP3 520 13.078 1.107 5.251 1.00 0.00 SOLV
1590 ATOM 1583 H1 TIP3 520 12.733 0.326 4.798 1.00 0.00 SOLV
1591 ATOM 1584 H2 TIP3 520 13.502 0.713 6.036 1.00 0.00 SOLV
1592 ATOM 1585 OH2 TIP3 521 11.749 0.368 8.015 1.00 0.00 SOLV
1593 ATOM 1586 H1 TIP3 521 12.360 -0.104 8.589 1.00 0.00 SOLV
1594 ATOM 1587 H2 TIP3 521 12.030 1.300 8.155 1.00 0.00 SOLV
1595 ATOM 1588 OH2 TIP3 522 8.384 -2.596 8.620 1.00 0.00 SOLV
1596 ATOM 1589 H1 TIP3 522 7.695 -2.049 9.053 1.00 0.00 SOLV
1597 ATOM 1590 H2 TIP3 522 8.832 -1.901 8.090 1.00 0.00 SOLV
1598 ATOM 1591 OH2 TIP3 523 12.506 2.930 8.601 1.00 0.00 SOLV
1599 ATOM 1592 H1 TIP3 523 12.368 3.727 8.044 1.00 0.00 SOLV
1600 ATOM 1593 H2 TIP3 523 12.079 3.221 9.443 1.00 0.00 SOLV
1601 ATOM 1594 OH2 TIP3 524 11.445 -10.196 7.955 1.00 0.00 SOLV
1602 ATOM 1595 H1 TIP3 524 11.453 -9.379 8.488 1.00 0.00 SOLV
1603 ATOM 1596 H2 TIP3 524 12.160 -10.694 8.403 1.00 0.00 SOLV
1604 ATOM 1597 OH2 TIP3 525 9.443 -0.637 7.034 1.00 0.00 SOLV
1605 ATOM 1598 H1 TIP3 525 10.215 -0.144 7.402 1.00 0.00 SOLV
1606 ATOM 1599 H2 TIP3 525 9.911 -1.196 6.378 1.00 0.00 SOLV
1607 ATOM 1600 OH2 TIP3 526 7.637 -7.456 6.937 1.00 0.00 SOLV
1608 ATOM 1601 H1 TIP3 526 7.523 -6.484 6.937 1.00 0.00 SOLV
1609 ATOM 1602 H2 TIP3 526 7.559 -7.681 5.999 1.00 0.00 SOLV
1610 ATOM 1603 OH2 TIP3 527 7.099 1.681 10.873 1.00 0.00 SOLV
1611 ATOM 1604 H1 TIP3 527 6.196 1.902 11.125 1.00 0.00 SOLV
1612 ATOM 1605 H2 TIP3 527 7.229 2.314 10.129 1.00 0.00 SOLV
1613 ATOM 1606 OH2 TIP3 528 10.775 -2.419 5.460 1.00 0.00 SOLV
1614 ATOM 1607 H1 TIP3 528 11.180 -2.927 6.193 1.00 0.00 SOLV
1615 ATOM 1608 H2 TIP3 528 11.476 -2.524 4.778 1.00 0.00 SOLV
1616 ATOM 1609 OH2 TIP3 529 11.887 -4.021 7.520 1.00 0.00 SOLV
1617 ATOM 1610 H1 TIP3 529 11.412 -3.980 8.368 1.00 0.00 SOLV
1618 ATOM 1611 H2 TIP3 529 11.684 -4.945 7.269 1.00 0.00 SOLV
1619 ATOM 1612 OH2 TIP3 530 12.695 5.242 7.152 1.00 0.00 SOLV
1620 ATOM 1613 H1 TIP3 530 13.572 5.588 7.415 1.00 0.00 SOLV
1621 ATOM 1614 H2 TIP3 530 12.709 5.327 6.194 1.00 0.00 SOLV
1622 ATOM 1615 OH2 TIP3 531 6.802 -0.078 6.691 1.00 0.00 SOLV
1623 ATOM 1616 H1 TIP3 531 7.769 -0.213 6.805 1.00 0.00 SOLV
1624 ATOM 1617 H2 TIP3 531 6.617 -0.752 5.997 1.00 0.00 SOLV
1625 ATOM 1618 OH2 TIP3 532 5.674 4.758 12.301 1.00 0.00 SOLV
1626 ATOM 1619 H1 TIP3 532 5.101 4.320 11.634 1.00 0.00 SOLV
1627 ATOM 1620 H2 TIP3 532 5.450 4.290 13.128 1.00 0.00 SOLV
1628 ATOM 1621 OH2 TIP3 533 5.758 -11.111 10.068 1.00 0.00 SOLV
1629 ATOM 1622 H1 TIP3 533 4.790 -11.155 10.156 1.00 0.00 SOLV
1630 ATOM 1623 H2 TIP3 533 5.843 -10.328 9.480 1.00 0.00 SOLV
1631 ATOM 1624 OH2 TIP3 534 8.421 -12.891 12.123 1.00 0.00 SOLV
1632 ATOM 1625 H1 TIP3 534 7.500 -13.078 11.877 1.00 0.00 SOLV
1633 ATOM 1626 H2 TIP3 534 8.788 -13.786 12.039 1.00 0.00 SOLV
1634 ATOM 1627 OH2 TIP3 535 7.219 -12.646 8.245 1.00 0.00 SOLV
1635 ATOM 1628 H1 TIP3 535 7.817 -12.039 7.767 1.00 0.00 SOLV
1636 ATOM 1629 H2 TIP3 535 6.752 -12.037 8.846 1.00 0.00 SOLV
1637 ATOM 1630 OH2 TIP3 536 12.996 -12.760 12.704 1.00 0.00 SOLV
1638 ATOM 1631 H1 TIP3 536 13.505 -11.945 12.529 1.00 0.00 SOLV
1639 ATOM 1632 H2 TIP3 536 12.978 -12.776 13.665 1.00 0.00 SOLV
1640 ATOM 1633 OH2 TIP3 537 6.905 3.465 8.860 1.00 0.00 SOLV
1641 ATOM 1634 H1 TIP3 537 6.158 3.445 8.232 1.00 0.00 SOLV
1642 ATOM 1635 H2 TIP3 537 7.082 4.428 8.872 1.00 0.00 SOLV
1643 ATOM 1636 OH2 TIP3 538 9.106 -11.183 6.687 1.00 0.00 SOLV
1644 ATOM 1637 H1 TIP3 538 9.484 -11.814 6.043 1.00 0.00 SOLV
1645 ATOM 1638 H2 TIP3 538 9.903 -10.898 7.181 1.00 0.00 SOLV
1646 ATOM 1639 OH2 TIP3 539 8.471 3.690 5.950 1.00 0.00 SOLV
1647 ATOM 1640 H1 TIP3 539 8.370 3.755 6.910 1.00 0.00 SOLV
1648 ATOM 1641 H2 TIP3 539 9.399 3.387 5.857 1.00 0.00 SOLV
1649 ATOM 1642 OH2 TIP3 540 -12.798 12.141 11.411 1.00 0.00 SOLV
1650 ATOM 1643 H1 TIP3 540 -13.414 12.800 11.806 1.00 0.00 SOLV
1651 ATOM 1644 H2 TIP3 540 -13.158 11.302 11.743 1.00 0.00 SOLV
1652 ATOM 1645 OH2 TIP3 541 0.112 9.710 11.954 1.00 0.00 SOLV
1653 ATOM 1646 H1 TIP3 541 0.597 9.407 12.745 1.00 0.00 SOLV
1654 ATOM 1647 H2 TIP3 541 0.822 10.116 11.437 1.00 0.00 SOLV
1655 ATOM 1648 OH2 TIP3 542 -2.870 12.728 6.737 1.00 0.00 SOLV
1656 ATOM 1649 H1 TIP3 542 -2.451 13.097 7.518 1.00 0.00 SOLV
1657 ATOM 1650 H2 TIP3 542 -2.121 12.370 6.220 1.00 0.00 SOLV
1658 ATOM 1651 OH2 TIP3 543 3.112 5.526 8.332 1.00 0.00 SOLV
1659 ATOM 1652 H1 TIP3 543 2.192 5.708 8.622 1.00 0.00 SOLV
1660 ATOM 1653 H2 TIP3 543 3.362 6.409 7.991 1.00 0.00 SOLV
1661 ATOM 1654 OH2 TIP3 544 -3.554 8.727 6.886 1.00 0.00 SOLV
1662 ATOM 1655 H1 TIP3 544 -4.251 8.606 7.562 1.00 0.00 SOLV
1663 ATOM 1656 H2 TIP3 544 -3.911 8.167 6.162 1.00 0.00 SOLV
1664 ATOM 1657 OH2 TIP3 545 -7.363 11.322 12.475 1.00 0.00 SOLV
1665 ATOM 1658 H1 TIP3 545 -8.329 11.458 12.510 1.00 0.00 SOLV
1666 ATOM 1659 H2 TIP3 545 -7.263 11.230 11.500 1.00 0.00 SOLV
1667 ATOM 1660 OH2 TIP3 546 -2.557 12.302 10.696 1.00 0.00 SOLV
1668 ATOM 1661 H1 TIP3 546 -2.768 13.219 10.939 1.00 0.00 SOLV
1669 ATOM 1662 H2 TIP3 546 -1.689 12.375 10.271 1.00 0.00 SOLV
1670 ATOM 1663 OH2 TIP3 547 -6.710 9.304 5.761 1.00 0.00 SOLV
1671 ATOM 1664 H1 TIP3 547 -7.043 9.092 6.655 1.00 0.00 SOLV
1672 ATOM 1665 H2 TIP3 547 -7.347 9.982 5.488 1.00 0.00 SOLV
1673 ATOM 1666 OH2 TIP3 548 -12.850 9.378 12.385 1.00 0.00 SOLV
1674 ATOM 1667 H1 TIP3 548 -13.425 9.163 13.142 1.00 0.00 SOLV
1675 ATOM 1668 H2 TIP3 548 -11.968 9.288 12.772 1.00 0.00 SOLV
1676 ATOM 1669 OH2 TIP3 549 -12.215 9.766 8.180 1.00 0.00 SOLV
1677 ATOM 1670 H1 TIP3 549 -11.386 10.234 7.990 1.00 0.00 SOLV
1678 ATOM 1671 H2 TIP3 549 -12.753 10.167 7.486 1.00 0.00 SOLV
1679 ATOM 1672 OH2 TIP3 550 -10.177 11.312 12.110 1.00 0.00 SOLV
1680 ATOM 1673 H1 TIP3 550 -11.005 11.378 11.597 1.00 0.00 SOLV
1681 ATOM 1674 H2 TIP3 550 -9.961 10.354 11.998 1.00 0.00 SOLV
1682 ATOM 1675 OH2 TIP3 551 -7.142 10.996 9.748 1.00 0.00 SOLV
1683 ATOM 1676 H1 TIP3 551 -6.189 10.919 9.607 1.00 0.00 SOLV
1684 ATOM 1677 H2 TIP3 551 -7.418 11.461 8.921 1.00 0.00 SOLV
1685 ATOM 1678 OH2 TIP3 552 -7.684 11.916 7.273 1.00 0.00 SOLV
1686 ATOM 1679 H1 TIP3 552 -8.208 11.695 6.486 1.00 0.00 SOLV
1687 ATOM 1680 H2 TIP3 552 -6.909 12.365 6.866 1.00 0.00 SOLV
1688 ATOM 1681 OH2 TIP3 553 -9.452 8.689 11.961 1.00 0.00 SOLV
1689 ATOM 1682 H1 TIP3 553 -9.914 7.822 11.890 1.00 0.00 SOLV
1690 ATOM 1683 H2 TIP3 553 -8.556 8.441 11.705 1.00 0.00 SOLV
1691 ATOM 1684 OH2 TIP3 554 -1.238 9.526 7.888 1.00 0.00 SOLV
1692 ATOM 1685 H1 TIP3 554 -2.075 9.186 7.483 1.00 0.00 SOLV
1693 ATOM 1686 H2 TIP3 554 -1.458 10.458 7.971 1.00 0.00 SOLV
1694 ATOM 1687 OH2 TIP3 555 0.011 12.147 9.139 1.00 0.00 SOLV
1695 ATOM 1688 H1 TIP3 555 0.572 11.595 9.713 1.00 0.00 SOLV
1696 ATOM 1689 H2 TIP3 555 0.340 11.862 8.275 1.00 0.00 SOLV
1697 ATOM 1690 OH2 TIP3 556 4.240 11.612 8.761 1.00 0.00 SOLV
1698 ATOM 1691 H1 TIP3 556 3.886 11.462 7.847 1.00 0.00 SOLV
1699 ATOM 1692 H2 TIP3 556 4.111 12.591 8.793 1.00 0.00 SOLV
1700 ATOM 1693 OH2 TIP3 557 -1.261 8.074 10.209 1.00 0.00 SOLV
1701 ATOM 1694 H1 TIP3 557 -1.266 8.621 9.395 1.00 0.00 SOLV
1702 ATOM 1695 H2 TIP3 557 -0.876 8.693 10.869 1.00 0.00 SOLV
1703 ATOM 1696 OH2 TIP3 558 -4.372 10.257 10.916 1.00 0.00 SOLV
1704 ATOM 1697 H1 TIP3 558 -3.655 10.920 10.783 1.00 0.00 SOLV
1705 ATOM 1698 H2 TIP3 558 -4.723 10.543 11.768 1.00 0.00 SOLV
1706 ATOM 1699 OH2 TIP3 559 -3.653 7.082 11.040 1.00 0.00 SOLV
1707 ATOM 1700 H1 TIP3 559 -3.844 7.913 11.500 1.00 0.00 SOLV
1708 ATOM 1701 H2 TIP3 559 -2.747 7.282 10.710 1.00 0.00 SOLV
1709 ATOM 1702 OH2 TIP3 560 -7.798 8.663 8.233 1.00 0.00 SOLV
1710 ATOM 1703 H1 TIP3 560 -7.912 9.454 8.789 1.00 0.00 SOLV
1711 ATOM 1704 H2 TIP3 560 -6.916 8.368 8.552 1.00 0.00 SOLV
1712 ATOM 1705 OH2 TIP3 561 -11.355 11.868 6.638 1.00 0.00 SOLV
1713 ATOM 1706 H1 TIP3 561 -11.592 12.719 7.071 1.00 0.00 SOLV
1714 ATOM 1707 H2 TIP3 561 -11.777 11.962 5.782 1.00 0.00 SOLV
1715 ATOM 1708 OH2 TIP3 562 -5.582 13.032 6.039 1.00 0.00 SOLV
1716 ATOM 1709 H1 TIP3 562 -5.386 13.879 5.577 1.00 0.00 SOLV
1717 ATOM 1710 H2 TIP3 562 -4.679 12.811 6.346 1.00 0.00 SOLV
1718 ATOM 1711 OH2 TIP3 563 3.275 11.333 6.281 1.00 0.00 SOLV
1719 ATOM 1712 H1 TIP3 563 3.755 11.818 5.587 1.00 0.00 SOLV
1720 ATOM 1713 H2 TIP3 563 2.928 10.572 5.770 1.00 0.00 SOLV
1721 ATOM 1714 OH2 TIP3 564 2.690 12.617 12.250 1.00 0.00 SOLV
1722 ATOM 1715 H1 TIP3 564 2.646 11.898 11.595 1.00 0.00 SOLV
1723 ATOM 1716 H2 TIP3 564 1.811 13.007 12.168 1.00 0.00 SOLV
1724 ATOM 1717 OH2 TIP3 565 2.422 8.975 5.149 1.00 0.00 SOLV
1725 ATOM 1718 H1 TIP3 565 2.807 8.491 5.908 1.00 0.00 SOLV
1726 ATOM 1719 H2 TIP3 565 1.476 8.718 5.195 1.00 0.00 SOLV
1727 ATOM 1720 OH2 TIP3 566 2.165 10.651 10.307 1.00 0.00 SOLV
1728 ATOM 1721 H1 TIP3 566 2.337 9.678 10.316 1.00 0.00 SOLV
1729 ATOM 1722 H2 TIP3 566 2.901 10.924 9.717 1.00 0.00 SOLV
1730 ATOM 1723 OH2 TIP3 567 2.814 8.004 10.372 1.00 0.00 SOLV
1731 ATOM 1724 H1 TIP3 567 3.012 7.494 11.189 1.00 0.00 SOLV
1732 ATOM 1725 H2 TIP3 567 2.128 7.417 9.984 1.00 0.00 SOLV
1733 ATOM 1726 OH2 TIP3 568 4.057 7.828 7.091 1.00 0.00 SOLV
1734 ATOM 1727 H1 TIP3 568 4.577 7.212 6.537 1.00 0.00 SOLV
1735 ATOM 1728 H2 TIP3 568 4.734 8.495 7.324 1.00 0.00 SOLV
1736 ATOM 1729 OH2 TIP3 569 -12.970 7.895 9.957 1.00 0.00 SOLV
1737 ATOM 1730 H1 TIP3 569 -13.021 8.372 10.810 1.00 0.00 SOLV
1738 ATOM 1731 H2 TIP3 569 -12.721 8.638 9.360 1.00 0.00 SOLV
1739 ATOM 1732 OH2 TIP3 570 3.669 6.619 12.534 1.00 0.00 SOLV
1740 ATOM 1733 H1 TIP3 570 4.340 5.918 12.421 1.00 0.00 SOLV
1741 ATOM 1734 H2 TIP3 570 4.258 7.342 12.817 1.00 0.00 SOLV
1742 ATOM 1735 OH2 TIP3 571 -10.783 6.333 11.858 1.00 0.00 SOLV
1743 ATOM 1736 H1 TIP3 571 -11.222 6.167 11.018 1.00 0.00 SOLV
1744 ATOM 1737 H2 TIP3 571 -10.404 5.446 12.050 1.00 0.00 SOLV
1745 ATOM 1738 OH2 TIP3 572 -11.880 6.120 8.148 1.00 0.00 SOLV
1746 ATOM 1739 H1 TIP3 572 -11.184 6.631 7.680 1.00 0.00 SOLV
1747 ATOM 1740 H2 TIP3 572 -12.236 6.799 8.762 1.00 0.00 SOLV
1748 ATOM 1741 OH2 TIP3 573 -6.110 6.082 12.070 1.00 0.00 SOLV
1749 ATOM 1742 H1 TIP3 573 -5.212 6.293 11.766 1.00 0.00 SOLV
1750 ATOM 1743 H2 TIP3 573 -6.091 5.123 12.165 1.00 0.00 SOLV
1751 ATOM 1744 OH2 TIP3 574 0.788 6.340 9.524 1.00 0.00 SOLV
1752 ATOM 1745 H1 TIP3 574 0.013 6.911 9.709 1.00 0.00 SOLV
1753 ATOM 1746 H2 TIP3 574 0.348 5.463 9.580 1.00 0.00 SOLV
1754 ATOM 1747 OH2 TIP3 575 -9.827 7.450 6.775 1.00 0.00 SOLV
1755 ATOM 1748 H1 TIP3 575 -9.310 6.930 6.128 1.00 0.00 SOLV
1756 ATOM 1749 H2 TIP3 575 -9.115 7.832 7.335 1.00 0.00 SOLV
1757 ATOM 1750 OH2 TIP3 576 -5.217 8.392 9.088 1.00 0.00 SOLV
1758 ATOM 1751 H1 TIP3 576 -4.816 7.598 9.486 1.00 0.00 SOLV
1759 ATOM 1752 H2 TIP3 576 -4.921 9.073 9.732 1.00 0.00 SOLV
1760 ATOM 1753 OH2 TIP3 577 6.216 12.742 10.782 1.00 0.00 SOLV
1761 ATOM 1754 H1 TIP3 577 6.083 13.556 10.272 1.00 0.00 SOLV
1762 ATOM 1755 H2 TIP3 577 5.611 12.143 10.320 1.00 0.00 SOLV
1763 ATOM 1756 OH2 TIP3 578 11.100 11.104 12.354 1.00 0.00 SOLV
1764 ATOM 1757 H1 TIP3 578 10.148 11.262 12.182 1.00 0.00 SOLV
1765 ATOM 1758 H2 TIP3 578 11.431 11.034 11.431 1.00 0.00 SOLV
1766 ATOM 1759 OH2 TIP3 579 12.480 10.007 5.620 1.00 0.00 SOLV
1767 ATOM 1760 H1 TIP3 579 12.183 9.366 6.294 1.00 0.00 SOLV
1768 ATOM 1761 H2 TIP3 579 11.766 9.972 4.970 1.00 0.00 SOLV
1769 ATOM 1762 OH2 TIP3 580 5.837 8.297 12.915 1.00 0.00 SOLV
1770 ATOM 1763 H1 TIP3 580 6.740 8.502 13.187 1.00 0.00 SOLV
1771 ATOM 1764 H2 TIP3 580 5.954 8.193 11.946 1.00 0.00 SOLV
1772 ATOM 1765 OH2 TIP3 581 5.968 9.707 7.938 1.00 0.00 SOLV
1773 ATOM 1766 H1 TIP3 581 6.666 10.282 7.561 1.00 0.00 SOLV
1774 ATOM 1767 H2 TIP3 581 5.377 10.402 8.298 1.00 0.00 SOLV
1775 ATOM 1768 OH2 TIP3 582 8.363 11.320 11.953 1.00 0.00 SOLV
1776 ATOM 1769 H1 TIP3 582 7.566 11.591 11.455 1.00 0.00 SOLV
1777 ATOM 1770 H2 TIP3 582 8.416 10.357 11.751 1.00 0.00 SOLV
1778 ATOM 1771 OH2 TIP3 583 11.987 10.955 9.711 1.00 0.00 SOLV
1779 ATOM 1772 H1 TIP3 583 12.840 11.411 9.660 1.00 0.00 SOLV
1780 ATOM 1773 H2 TIP3 583 11.518 11.369 8.947 1.00 0.00 SOLV
1781 ATOM 1774 OH2 TIP3 584 10.835 11.808 7.474 1.00 0.00 SOLV
1782 ATOM 1775 H1 TIP3 584 9.912 11.929 7.210 1.00 0.00 SOLV
1783 ATOM 1776 H2 TIP3 584 11.236 11.458 6.665 1.00 0.00 SOLV
1784 ATOM 1777 OH2 TIP3 585 8.949 8.660 11.645 1.00 0.00 SOLV
1785 ATOM 1778 H1 TIP3 585 8.618 7.740 11.768 1.00 0.00 SOLV
1786 ATOM 1779 H2 TIP3 585 9.844 8.487 11.336 1.00 0.00 SOLV
1787 ATOM 1780 OH2 TIP3 586 11.436 8.610 7.911 1.00 0.00 SOLV
1788 ATOM 1781 H1 TIP3 586 11.493 9.350 8.543 1.00 0.00 SOLV
1789 ATOM 1782 H2 TIP3 586 11.939 7.925 8.380 1.00 0.00 SOLV
1790 ATOM 1783 OH2 TIP3 587 7.481 11.899 7.038 1.00 0.00 SOLV
1791 ATOM 1784 H1 TIP3 587 7.396 12.734 7.553 1.00 0.00 SOLV
1792 ATOM 1785 H2 TIP3 587 7.245 12.205 6.157 1.00 0.00 SOLV
1793 ATOM 1786 OH2 TIP3 588 5.702 8.039 10.122 1.00 0.00 SOLV
1794 ATOM 1787 H1 TIP3 588 4.729 7.972 10.101 1.00 0.00 SOLV
1795 ATOM 1788 H2 TIP3 588 5.869 8.638 9.367 1.00 0.00 SOLV
1796 ATOM 1789 OH2 TIP3 589 8.118 6.162 12.222 1.00 0.00 SOLV
1797 ATOM 1790 H1 TIP3 589 7.194 5.847 12.150 1.00 0.00 SOLV
1798 ATOM 1791 H2 TIP3 589 8.575 5.302 12.126 1.00 0.00 SOLV
1799 ATOM 1792 OH2 TIP3 590 7.240 6.173 8.375 1.00 0.00 SOLV
1800 ATOM 1793 H1 TIP3 590 7.795 6.735 7.801 1.00 0.00 SOLV
1801 ATOM 1794 H2 TIP3 590 6.845 6.817 8.985 1.00 0.00 SOLV
1802 ATOM 1795 OH2 TIP3 591 12.672 5.671 12.388 1.00 0.00 SOLV
1803 ATOM 1796 H1 TIP3 591 13.455 6.140 12.084 1.00 0.00 SOLV
1804 ATOM 1797 H2 TIP3 591 12.898 5.419 13.300 1.00 0.00 SOLV
1805 ATOM 1798 OH2 TIP3 592 9.071 7.621 6.638 1.00 0.00 SOLV
1806 ATOM 1799 H1 TIP3 592 9.494 6.987 6.028 1.00 0.00 SOLV
1807 ATOM 1800 H2 TIP3 592 9.845 7.955 7.135 1.00 0.00 SOLV
1808 ATOM 1801 SOD SOD 1 -8.032 5.354 -7.781 1.00 0.00 SOD
1809 ATOM 1802 CLA CLA 1 -5.382 2.471 7.495 1.00 0.00 CLA
1810 TER 1803 CLA 1
1811 END