NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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520495 |
108d   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 240 H/Q atoms
Start of MODEL 1
1 1H5* C 1 1H5' C 1 -11.556 -12.991 -4.212
2 2H5* C 1 2H5' C 1 -9.871 -12.764 -4.723
3 H4* C 1 H4' C 1 -10.788 -14.566 -2.441
4 H3* C 1 H3' C 1 -10.451 -11.648 -2.431
5 1H2* C 1 1H2' C 1 -8.317 -12.017 -0.723
6 2H2* C 1 2H2' C 1 -8.151 -11.684 -2.394
7 H1* C 1 H1' C 1 -8.063 -14.373 -1.005
8 1H4 C 1 1H4 C 1 -2.706 -12.036 -4.474
9 2H4 C 1 2H4 C 1 -2.182 -12.232 -2.811
10 H5 C 1 H5 C 1 -5.011 -12.592 -5.198
11 H6 C 1 H6 C 1 -7.175 -13.296 -4.439
12 H5* C 1 H5' C 1 -9.790 -15.026 -5.091
13 1H5* G 2 1H5' G 2 -8.490 -13.269 0.918
14 2H5* G 2 2H5' G 2 -9.794 -13.292 2.033
15 H4* G 2 H4' G 2 -8.017 -13.066 3.498
16 H3* G 2 H3' G 2 -9.454 -10.645 3.361
17 1H2* G 2 1H2' G 2 -7.331 -9.027 3.174
18 2H2* G 2 2H2' G 2 -7.952 -9.735 1.692
19 H1* G 2 H1' G 2 -5.688 -10.882 3.433
20 H8 G 2 H8 G 2 -6.714 -9.855 -0.285
21 H1 G 2 H1 G 2 -0.417 -10.761 0.563
22 1H2 G 2 1H2 G 2 -1.268 -11.384 3.906
23 2H2 G 2 2H2 G 2 0.020 -11.186 2.737
24 1H5* C 3 1H5' C 3 -5.483 -10.659 5.691
25 2H5* C 3 2H5' C 3 -5.707 -9.892 7.297
26 H4* C 3 H4' C 3 -3.495 -9.391 6.600
27 H3* C 3 H3' C 3 -5.391 -7.060 6.273
28 1H2* C 3 1H2' C 3 -2.837 -6.143 5.109
29 2H2* C 3 2H2' C 3 -4.421 -6.256 4.478
30 H1* C 3 H1' C 3 -2.112 -8.342 4.778
31 1H4 C 3 1H4 C 3 -3.736 -6.823 -1.587
32 2H4 C 3 2H4 C 3 -1.984 -6.908 -1.487
33 H5 C 3 H5 C 3 -5.201 -7.008 0.627
34 H6 C 3 H6 C 3 -5.145 -7.898 2.657
35 1H5* T 4 1H5' T 4 -2.625 -3.268 9.193
36 2H5* T 4 2H5' T 4 -3.764 -2.695 7.956
37 H4* T 4 H4' T 4 -0.765 -2.998 7.554
38 H3* T 4 H3' T 4 -2.189 -0.876 8.947
39 1H2* T 4 1H2' T 4 -1.496 0.883 6.903
40 2H2* T 4 2H2' T 4 -3.077 0.071 6.993
41 H1* T 4 H1' T 4 -0.533 -0.976 5.634
42 H3 T 4 H3 T 4 -1.624 -0.420 1.286
43 1H5M T 4 1H5M T 4 -6.135 0.687 3.034
44 2H5M T 4 2H5M T 4 -6.225 -0.917 2.279
45 3H5M T 4 3H5M T 4 -6.284 -0.767 4.043
46 H6 T 4 H6 T 4 -4.284 -0.633 5.260
47 1H5* A 5 1H5' A 5 2.375 0.358 7.041
48 2H5* A 5 2H5' A 5 2.891 1.438 8.391
49 H4* A 5 H4' A 5 3.859 2.176 6.428
50 H3* A 5 H3' A 5 2.137 3.731 8.169
51 1H2* A 5 1H2' A 5 0.940 4.945 6.338
52 2H2* A 5 2H2' A 5 0.327 3.384 6.759
53 H1* A 5 H1' A 5 2.205 3.996 4.339
54 H8 A 5 H8 A 5 -1.418 3.378 5.404
55 1H6 A 5 1H6 A 5 -2.457 1.905 -0.513
56 2H6 A 5 2H6 A 5 -3.182 2.400 1.004
57 H2 A 5 H2 A 5 1.954 1.633 0.240
58 1H5* G 6 1H5' G 6 3.751 6.973 5.903
59 2H5* G 6 2H5' G 6 4.829 5.736 5.108
60 H4* G 6 H4' G 6 6.313 7.152 4.371
61 H3* G 6 H3' G 6 6.005 8.617 6.681
62 1H2* G 6 1H2' G 6 4.702 10.818 5.599
63 2H2* G 6 2H2' G 6 3.877 9.378 6.201
64 H1* G 6 H1' G 6 4.690 9.955 3.306
65 H8 G 6 H8 G 6 1.632 9.933 5.568
66 H1 G 6 H1 G 6 0.270 8.470 -0.516
67 1H2 G 6 1H2 G 6 3.735 8.021 -0.839
68 2H2 G 6 2H2 G 6 2.174 7.982 -1.636
69 1H5* C 7 1H5' C 7 7.113 9.134 2.481
70 2H5* C 7 2H5' C 7 8.484 10.198 2.124
71 H4* C 7 H4' C 7 7.056 9.762 0.174
72 H3* C 7 H3' C 7 8.040 12.316 0.934
73 1H2* C 7 1H2' C 7 5.701 13.636 0.400
74 2H2* C 7 2H2' C 7 5.965 12.875 1.948
75 H1* C 7 H1' C 7 4.840 11.484 -0.570
76 1H4 C 7 1H4 C 7 -0.653 12.972 3.009
77 2H4 C 7 2H4 C 7 -1.168 12.416 1.429
78 H5 C 7 H5 C 7 1.765 13.109 3.640
79 H6 C 7 H6 C 7 3.956 12.740 2.913
80 1H5* G 8 1H5' G 8 5.160 13.292 -1.737
81 2H5* G 8 2H5' G 8 4.896 12.413 -3.259
82 H4* G 8 H4' G 8 4.665 14.358 -4.519
83 H3* G 8 H3' G 8 5.222 15.741 -1.827
84 1H2* G 8 1H2' G 8 3.472 17.125 -3.844
85 2H2* G 8 2H2' G 8 3.297 17.023 -2.069
86 H1* G 8 H1' G 8 2.240 15.117 -4.200
87 H8 G 8 H8 G 8 2.673 15.175 -0.330
88 H1 G 8 H1 G 8 -3.486 15.149 -2.152
89 1H2 G 8 1H2 G 8 -2.177 15.312 -5.404
90 2H2 G 8 2H2 G 8 -3.615 15.254 -4.408
91 H3T G 8 HO3 G 8 5.562 16.528 -4.553
92 1H5* C 1 1H5' C 1 -12.322 14.710 -3.318
93 2H5* C 1 2H5' C 1 -11.221 15.141 -1.991
94 H4* C 1 H4' C 1 -10.796 15.852 -4.925
95 H3* C 1 H3' C 1 -10.291 13.311 -3.561
96 1H2* C 1 1H2' C 1 -7.575 13.751 -3.966
97 2H2* C 1 2H2' C 1 -8.380 14.017 -2.471
98 H1* C 1 H1' C 1 -7.792 16.085 -4.629
99 1H4 C 1 1H4 C 1 -4.994 17.003 1.471
100 2H4 C 1 2H4 C 1 -3.674 16.664 0.369
101 H5 C 1 H5 C 1 -7.367 16.821 0.766
102 H6 C 1 H6 C 1 -8.822 16.395 -1.108
103 H5* C 1 H5' C 1 -12.915 16.650 -2.271
104 1H5* G 2 1H5' G 2 -6.873 14.451 -5.849
105 2H5* G 2 2H5' G 2 -7.536 13.945 -7.361
106 H4* G 2 H4' G 2 -5.187 14.020 -7.686
107 H3* G 2 H3' G 2 -6.352 11.503 -8.050
108 1H2* G 2 1H2' G 2 -4.546 10.087 -6.681
109 2H2* G 2 2H2' G 2 -5.866 10.802 -5.786
110 H1* G 2 H1' G 2 -3.081 12.041 -6.181
111 H8 G 2 H8 G 2 -6.016 11.515 -3.549
112 H1 G 2 H1 G 2 -0.146 11.822 -0.964
113 1H2 G 2 1H2 G 2 0.947 12.289 -4.261
114 2H2 G 2 2H2 G 2 1.404 12.067 -2.585
115 1H5* C 3 1H5' C 3 -1.694 11.668 -7.935
116 2H5* C 3 2H5' C 3 -1.019 10.774 -9.331
117 H4* C 3 H4' C 3 0.467 10.473 -7.489
118 H3* C 3 H3' C 3 -1.220 8.056 -8.136
119 1H2* C 3 1H2' C 3 0.304 7.293 -5.723
120 2H2* C 3 2H2' C 3 -1.378 7.360 -6.059
121 H1* C 3 H1' C 3 0.665 9.539 -5.149
122 1H4 C 3 1H4 C 3 -4.127 7.953 -0.676
123 2H4 C 3 2H4 C 3 -2.595 8.020 0.182
124 H5 C 3 H5 C 3 -4.160 8.137 -3.334
125 H6 C 3 H6 C 3 -3.004 9.054 -5.009
126 1H5* T 4 1H5' T 4 2.985 4.436 -8.631
127 2H5* T 4 2H5' T 4 1.379 3.763 -8.281
128 H4* T 4 H4' T 4 3.476 4.414 -6.177
129 H3* T 4 H3' T 4 3.314 2.107 -7.978
130 1H2* T 4 1H2' T 4 2.970 0.529 -5.691
131 2H2* T 4 2H2' T 4 1.646 1.026 -6.766
132 H1* T 4 H1' T 4 2.712 2.540 -4.315
133 H3 T 4 H3 T 4 -0.694 1.667 -1.454
134 1H5M T 4 1H5M T 4 -3.784 1.876 -5.031
135 2H5M T 4 2H5M T 4 -2.765 1.689 -6.468
136 3H5M T 4 3H5M T 4 -3.184 0.268 -5.488
137 H6 T 4 H6 T 4 -0.429 1.743 -6.237
138 1H5* A 5 1H5' A 5 5.702 1.234 -3.793
139 2H5* A 5 2H5' A 5 7.198 0.431 -4.434
140 H4* A 5 H4' A 5 6.871 -0.583 -2.474
141 H3* A 5 H3' A 5 6.473 -2.004 -4.899
142 1H2* A 5 1H2' A 5 4.200 -1.506 -4.392
143 2H2* A 5 2H2' A 5 4.114 -3.015 -4.494
144 H1* A 5 H1' A 5 4.222 -2.427 -1.760
145 H8 A 5 H8 A 5 1.831 -1.694 -4.672
146 1H6 A 5 1H6 A 5 -2.463 -1.029 -0.347
147 2H6 A 5 2H6 A 5 -2.112 -1.046 -2.061
148 H2 A 5 H2 A 5 1.522 -1.305 1.724
149 1H5* G 6 1H5' G 6 6.630 -5.496 -2.627
150 2H5* G 6 2H5' G 6 7.161 -4.442 -1.207
151 H4* G 6 H4' G 6 7.823 -5.979 0.041
152 H3* G 6 H3' G 6 8.825 -7.182 -2.250
153 1H2* G 6 1H2' G 6 7.201 -9.459 -2.169
154 2H2* G 6 2H2' G 6 6.806 -7.957 -3.009
155 H1* G 6 H1' G 6 5.962 -8.751 -0.172
156 H8 G 6 H8 G 6 4.562 -8.304 -3.718
157 H1 G 6 H1 G 6 0.136 -7.678 0.872
158 1H2 G 6 1H2 G 6 2.914 -7.679 3.047
159 2H2 G 6 2H2 G 6 1.170 -7.590 2.913
160 1H5* C 7 1H5' C 7 7.525 -8.133 1.799
161 2H5* C 7 2H5' C 7 8.576 -9.221 2.721
162 H4* C 7 H4' C 7 6.350 -9.040 3.700
163 H3* C 7 H3' C 7 7.716 -11.488 3.219
164 1H2* C 7 1H2' C 7 5.483 -12.821 2.351
165 2H2* C 7 2H2' C 7 6.447 -11.873 1.245
166 H1* C 7 H1' C 7 4.148 -10.823 3.012
167 1H4 C 7 1H4 C 7 1.291 -11.474 -3.039
168 2H4 C 7 2H4 C 7 0.017 -11.163 -1.879
169 H5 C 7 H5 C 7 3.681 -11.663 -2.368
170 H6 C 7 H6 C 7 5.189 -11.530 -0.573
171 1H5* G 8 1H5' G 8 3.959 -12.756 4.065
172 2H5* G 8 2H5' G 8 3.012 -11.966 5.347
173 H4* G 8 H4' G 8 2.132 -13.916 6.179
174 H3* G 8 H3' G 8 4.007 -15.271 4.160
175 1H2* G 8 1H2' G 8 1.393 -16.612 4.799
176 2H2* G 8 2H2' G 8 2.226 -16.453 3.230
177 H1* G 8 H1' G 8 0.207 -14.569 4.521
178 H8 G 8 H8 G 8 2.744 -14.538 1.544
179 H1 G 8 H1 G 8 -3.317 -13.617 -0.340
180 1H2 G 8 1H2 G 8 -4.127 -14.242 3.014
181 2H2 G 8 2H2 G 8 -4.718 -13.868 1.409
182 H3T G 8 HO3 G 8 2.746 -16.134 6.570
183 H1 TOT 1 H1 TOT 1 -4.022 -3.434 5.159
184 H2 TOT 1 H2 TOT 1 -6.465 -3.677 5.243
185 H3 TOT 1 H3 TOT 1 -7.751 -3.969 3.128
186 H4 TOT 1 H4 TOT 1 -6.587 -3.974 0.968
187 1H6 TOT 1 1H6 TOT 1 -3.660 -3.073 -1.320
188 2H6 TOT 1 2H6 TOT 1 -5.289 -3.180 -0.697
189 3H6 TOT 1 3H6 TOT 1 -4.442 -4.670 -1.160
190 H8 TOT 1 H8 TOT 1 -1.844 -4.224 -0.955
191 H13 TOT 1 H13 TOT 2 4.150 -4.982 -1.899
192 H14 TOT 1 H14 TOT 2 3.098 -5.645 -3.913
193 H15 TOT 1 H15 TOT 2 0.849 -4.795 -4.438
194 H16 TOT 1 H16 TOT 2 -0.674 -4.212 -2.605
195 H19 TOT 1 H9 TOT 2 0.030 -4.889 2.291
196 H20 TOT 1 H10 TOT 2 2.412 -4.657 2.487
197 1H22 TOT 1 1H19 TOT 3 4.267 -4.420 2.004
198 2H22 TOT 1 2H19 TOT 3 4.387 -5.376 0.661
199 1H23 TOT 1 1H20 TOT 3 4.528 -2.353 0.522
200 2H23 TOT 1 2H20 TOT 3 5.422 -3.490 -0.533
201 1H24 TOT 1 1H21 TOT 3 6.906 -4.135 1.223
202 2H24 TOT 1 2H21 TOT 3 5.948 -3.340 2.451
203 1H26 TOT 1 1H23 TOT 3 5.733 -0.555 0.784
204 2H26 TOT 1 2H23 TOT 3 5.581 -1.079 2.465
205 1H27 TOT 1 1H24 TOT 4 7.539 0.214 3.102
206 2H27 TOT 1 2H24 TOT 4 7.802 0.696 1.404
207 1H28 TOT 1 1H31 TOT 3 8.440 -2.756 -0.125
208 2H28 TOT 1 2H31 TOT 3 7.032 -1.873 -0.723
209 3H28 TOT 1 3H31 TOT 3 8.392 -0.997 -0.014
210 1H29 TOT 1 1H32 TOT 3 7.789 -2.187 3.406
211 2H29 TOT 1 2H32 TOT 3 8.735 -3.135 2.252
212 3H29 TOT 1 3H32 TOT 3 8.955 -1.394 2.326
213 H31 TOT 1 H1 TOT 7 -0.614 4.550 -6.315
214 H32 TOT 1 H2 TOT 7 -2.610 4.660 -7.744
215 H33 TOT 1 H3 TOT 7 -4.858 4.950 -6.706
216 H34 TOT 1 H4 TOT 7 -5.091 4.995 -4.270
217 1H36 TOT 1 1H6 TOT 7 -4.979 4.390 -2.153
218 2H36 TOT 1 2H6 TOT 7 -3.936 4.072 -0.789
219 3H36 TOT 1 3H6 TOT 7 -4.401 5.747 -1.176
220 H38 TOT 1 H8 TOT 7 -2.218 5.239 -0.033
221 H43 TOT 1 H13 TOT 6 2.160 6.817 3.777
222 H44 TOT 1 H14 TOT 6 0.186 7.071 5.148
223 H45 TOT 1 H15 TOT 6 -2.021 6.382 4.265
224 H46 TOT 1 H16 TOT 6 -2.263 5.784 1.905
225 H49 TOT 1 H9 TOT 6 1.224 4.574 -1.488
226 H50 TOT 1 H10 TOT 6 3.252 4.617 -0.162
227 1H52 TOT 1 1H19 TOT 5 3.565 5.363 3.329
228 2H52 TOT 1 2H19 TOT 5 4.146 6.012 1.796
229 1H53 TOT 1 1H20 TOT 5 3.824 3.075 2.028
230 2H53 TOT 1 2H20 TOT 5 4.923 4.027 1.000
231 1H54 TOT 1 1H21 TOT 5 5.980 4.841 3.212
232 2H54 TOT 1 2H21 TOT 5 5.018 3.563 3.960
233 1H56 TOT 1 1H23 TOT 5 5.534 1.699 1.388
234 2H56 TOT 1 2H23 TOT 5 5.312 1.256 3.084
235 1H58 TOT 1 1H31 TOT 5 6.805 2.238 4.793
236 2H58 TOT 1 2H31 TOT 5 7.710 3.704 4.404
237 3H58 TOT 1 3H31 TOT 5 8.318 2.141 3.874
238 1H59 TOT 1 1H32 TOT 5 7.853 4.431 1.974
239 2H59 TOT 1 2H32 TOT 5 7.050 3.442 0.746
240 3H59 TOT 1 3H32 TOT 5 8.441 2.813 1.627
Start of MODEL 2
Raw file had 240 H/Q atoms
Start of MODEL 2
1 1H5* C 1 1H5' C 1 -11.774 -13.999 -3.211
2 2H5* C 1 2H5' C 1 -10.148 -14.431 -3.782
3 H4* C 1 H4' C 1 -11.251 -15.024 -1.002
4 H3* C 1 H3' C 1 -10.175 -12.504 -2.034
5 1H2* C 1 1H2' C 1 -8.020 -12.828 -0.316
6 2H2* C 1 2H2' C 1 -7.962 -13.172 -1.999
7 H1* C 1 H1' C 1 -8.477 -15.138 0.264
8 1H4 C 1 1H4 C 1 -3.024 -16.074 -3.652
9 2H4 C 1 2H4 C 1 -2.420 -15.636 -2.066
10 H5 C 1 H5 C 1 -5.443 -16.008 -4.198
11 H6 C 1 H6 C 1 -7.639 -15.610 -3.293
12 H5* C 1 H5' C 1 -12.126 -16.222 -2.810
13 1H5* G 2 1H5' G 2 -8.314 -13.429 1.707
14 2H5* G 2 2H5' G 2 -9.662 -12.911 2.655
15 H4* G 2 H4' G 2 -7.821 -12.806 4.135
16 H3* G 2 H3' G 2 -9.042 -10.337 3.623
17 1H2* G 2 1H2' G 2 -6.815 -8.924 3.252
18 2H2* G 2 2H2' G 2 -7.478 -9.770 1.879
19 H1* G 2 H1' G 2 -5.268 -10.823 3.742
20 H8 G 2 H8 G 2 -6.435 -10.588 -0.056
21 H1 G 2 H1 G 2 -0.063 -10.819 0.731
22 1H2 G 2 1H2 G 2 -0.799 -11.208 4.136
23 2H2 G 2 2H2 G 2 0.447 -11.035 2.917
24 1H5* C 3 1H5' C 3 -5.055 -10.260 5.931
25 2H5* C 3 2H5' C 3 -5.162 -9.227 7.390
26 H4* C 3 H4' C 3 -2.944 -9.105 6.503
27 H3* C 3 H3' C 3 -4.590 -6.599 6.083
28 1H2* C 3 1H2' C 3 -2.135 -6.013 4.613
29 2H2* C 3 2H2' C 3 -3.764 -6.160 4.165
30 H1* C 3 H1' C 3 -1.577 -8.351 4.526
31 1H4 C 3 1H4 C 3 -3.420 -7.119 -1.847
32 2H4 C 3 2H4 C 3 -1.664 -7.184 -1.798
33 H5 C 3 H5 C 3 -4.802 -7.187 0.406
34 H6 C 3 H6 C 3 -4.671 -7.894 2.538
35 1H5* T 4 1H5' T 4 -3.689 -2.944 8.788
36 2H5* T 4 2H5' T 4 -4.766 -2.571 7.438
37 H4* T 4 H4' T 4 -1.720 -2.361 7.351
38 H3* T 4 H3' T 4 -3.864 -0.370 8.017
39 1H2* T 4 1H2' T 4 -2.131 1.091 6.232
40 2H2* T 4 2H2' T 4 -3.819 0.623 5.975
41 H1* T 4 H1' T 4 -1.260 -0.913 5.283
42 H3 T 4 H3 T 4 -1.789 -0.644 0.776
43 1H5M T 4 1H5M T 4 -6.740 -1.001 2.938
44 2H5M T 4 2H5M T 4 -6.513 0.484 1.992
45 3H5M T 4 3H5M T 4 -6.471 -1.099 1.190
46 H6 T 4 H6 T 4 -4.910 -0.640 4.411
47 1H5* A 5 1H5' A 5 0.694 0.607 7.539
48 2H5* A 5 2H5' A 5 1.150 1.713 8.884
49 H4* A 5 H4' A 5 2.542 2.011 7.002
50 H3* A 5 H3' A 5 1.097 4.063 8.379
51 1H2* A 5 1H2' A 5 0.310 5.299 6.320
52 2H2* A 5 2H2' A 5 -0.684 4.006 6.878
53 H1* A 5 H1' A 5 1.370 3.944 4.528
54 H8 A 5 H8 A 5 -2.380 3.776 5.498
55 1H6 A 5 1H6 A 5 -3.308 2.068 -0.369
56 2H6 A 5 2H6 A 5 -4.069 2.671 1.095
57 H2 A 5 H2 A 5 1.036 1.607 0.521
58 1H5* G 6 1H5' G 6 3.215 6.703 5.966
59 2H5* G 6 2H5' G 6 4.150 5.328 5.237
60 H4* G 6 H4' G 6 5.772 6.587 4.450
61 H3* G 6 H3' G 6 5.578 8.081 6.794
62 1H2* G 6 1H2' G 6 4.438 10.362 5.763
63 2H2* G 6 2H2' G 6 3.469 8.958 6.324
64 H1* G 6 H1' G 6 4.517 9.519 3.459
65 H8 G 6 H8 G 6 1.372 9.842 5.550
66 H1 G 6 H1 G 6 0.085 8.419 -0.555
67 1H2 G 6 1H2 G 6 3.491 7.628 -0.757
68 2H2 G 6 2H2 G 6 1.959 7.742 -1.602
69 1H5* C 7 1H5' C 7 8.743 9.963 2.320
70 2H5* C 7 2H5' C 7 7.293 10.600 3.115
71 H4* C 7 H4' C 7 7.216 8.950 0.564
72 H3* C 7 H3' C 7 8.275 11.571 0.791
73 1H2* C 7 1H2' C 7 5.940 12.898 0.325
74 2H2* C 7 2H2' C 7 6.279 12.279 1.932
75 H1* C 7 H1' C 7 4.985 10.665 -0.352
76 1H4 C 7 1H4 C 7 -0.259 13.160 3.031
77 2H4 C 7 2H4 C 7 -0.829 12.586 1.478
78 H5 C 7 H5 C 7 2.148 13.082 3.665
79 H6 C 7 H6 C 7 4.297 12.355 3.005
80 1H5* G 8 1H5' G 8 5.220 12.355 -1.744
81 2H5* G 8 2H5' G 8 4.728 11.580 -3.256
82 H4* G 8 H4' G 8 4.830 13.528 -4.514
83 H3* G 8 H3' G 8 5.675 14.819 -1.851
84 1H2* G 8 1H2' G 8 4.167 16.458 -3.871
85 2H2* G 8 2H2' G 8 4.003 16.417 -2.092
86 H1* G 8 H1' G 8 2.592 14.702 -4.176
87 H8 G 8 H8 G 8 3.090 14.733 -0.319
88 H1 G 8 H1 G 8 -3.032 15.579 -2.064
89 1H2 G 8 1H2 G 8 -1.756 15.509 -5.333
90 2H2 G 8 2H2 G 8 -3.174 15.664 -4.320
91 H3T G 8 HO3 G 8 6.105 15.491 -4.595
92 1H5* C 1 1H5' C 1 -11.838 15.898 -3.102
93 2H5* C 1 2H5' C 1 -10.710 16.237 -1.773
94 H4* C 1 H4' C 1 -10.216 16.906 -4.706
95 H3* C 1 H3' C 1 -9.936 14.334 -3.336
96 1H2* C 1 1H2' C 1 -7.190 14.532 -3.736
97 2H2* C 1 2H2' C 1 -7.973 14.875 -2.245
98 H1* C 1 H1' C 1 -7.215 16.879 -4.414
99 1H4 C 1 1H4 C 1 -4.306 17.563 1.664
100 2H4 C 1 2H4 C 1 -3.030 17.107 0.551
101 H5 C 1 H5 C 1 -6.693 17.587 0.975
102 H6 C 1 H6 C 1 -8.192 17.284 -0.889
103 H5* C 1 H5' C 1 -10.844 18.449 -2.366
104 1H5* G 2 1H5' G 2 -6.419 15.174 -5.619
105 2H5* G 2 2H5' G 2 -7.139 14.747 -7.131
106 H4* G 2 H4' G 2 -4.786 14.633 -7.458
107 H3* G 2 H3' G 2 -6.185 12.252 -7.899
108 1H2* G 2 1H2' G 2 -4.524 10.627 -6.595
109 2H2* G 2 2H2' G 2 -5.763 11.430 -5.661
110 H1* G 2 H1' G 2 -2.872 12.410 -6.018
111 H8 G 2 H8 G 2 -5.858 12.134 -3.414
112 H1 G 2 H1 G 2 -0.011 11.804 -0.771
113 1H2 G 2 1H2 G 2 1.151 12.082 -4.063
114 2H2 G 2 2H2 G 2 1.566 11.825 -2.382
115 1H5* C 3 1H5' C 3 -1.541 11.987 -7.801
116 2H5* C 3 2H5' C 3 -0.935 11.072 -9.215
117 H4* C 3 H4' C 3 0.493 10.616 -7.346
118 H3* C 3 H3' C 3 -1.344 8.350 -8.129
119 1H2* C 3 1H2' C 3 0.070 7.392 -5.710
120 2H2* C 3 2H2' C 3 -1.594 7.579 -6.085
121 H1* C 3 H1' C 3 0.570 9.580 -5.048
122 1H4 C 3 1H4 C 3 -4.402 8.209 -0.706
123 2H4 C 3 2H4 C 3 -2.878 8.161 0.171
124 H5 C 3 H5 C 3 -4.375 8.454 -3.372
125 H6 C 3 H6 C 3 -3.125 9.332 -4.995
126 1H5* T 4 1H5' T 4 2.830 4.601 -8.472
127 2H5* T 4 2H5' T 4 1.212 3.923 -8.190
128 H4* T 4 H4' T 4 3.201 4.592 -5.985
129 H3* T 4 H3' T 4 2.994 2.232 -7.781
130 1H2* T 4 1H2' T 4 2.978 0.852 -5.305
131 2H2* T 4 2H2' T 4 1.591 1.057 -6.404
132 H1* T 4 H1' T 4 2.434 2.888 -4.089
133 H3 T 4 H3 T 4 -0.957 1.728 -1.313
134 1H5M T 4 1H5M T 4 -3.957 2.141 -4.961
135 2H5M T 4 2H5M T 4 -2.919 1.872 -6.371
136 3H5M T 4 3H5M T 4 -3.428 0.495 -5.370
137 H6 T 4 H6 T 4 -0.594 1.931 -6.086
138 1H5* A 5 1H5' A 5 5.665 1.452 -3.929
139 2H5* A 5 2H5' A 5 7.203 0.769 -4.606
140 H4* A 5 H4' A 5 6.932 -0.304 -2.648
141 H3* A 5 H3' A 5 6.665 -1.702 -5.100
142 1H2* A 5 1H2' A 5 4.361 -1.369 -4.633
143 2H2* A 5 2H2' A 5 4.381 -2.884 -4.739
144 H1* A 5 H1' A 5 4.314 -2.291 -2.005
145 H8 A 5 H8 A 5 2.033 -1.708 -5.009
146 1H6 A 5 1H6 A 5 -2.466 -1.173 -0.923
147 2H6 A 5 2H6 A 5 -2.012 -1.257 -2.610
148 H2 A 5 H2 A 5 1.425 -1.089 1.356
149 1H5* G 6 1H5' G 6 6.951 -5.276 -2.879
150 2H5* G 6 2H5' G 6 7.437 -4.179 -1.476
151 H4* G 6 H4' G 6 8.167 -5.648 -0.197
152 H3* G 6 H3' G 6 9.217 -6.876 -2.439
153 1H2* G 6 1H2' G 6 7.666 -9.203 -2.335
154 2H2* G 6 2H2' G 6 7.236 -7.733 -3.211
155 H1* G 6 H1' G 6 6.386 -8.501 -0.366
156 H8 G 6 H8 G 6 5.017 -8.193 -3.933
157 H1 G 6 H1 G 6 0.551 -7.566 0.614
158 1H2 G 6 1H2 G 6 3.326 -7.304 2.782
159 2H2 G 6 2H2 G 6 1.579 -7.318 2.651
160 1H5* C 7 1H5' C 7 7.903 -7.795 1.614
161 2H5* C 7 2H5' C 7 8.952 -8.852 2.574
162 H4* C 7 H4' C 7 6.708 -8.679 3.510
163 H3* C 7 H3' C 7 8.100 -11.137 3.067
164 1H2* C 7 1H2' C 7 5.838 -12.481 2.294
165 2H2* C 7 2H2' C 7 6.785 -11.590 1.139
166 H1* C 7 H1' C 7 4.532 -10.418 2.899
167 1H4 C 7 1H4 C 7 1.599 -11.401 -3.073
168 2H4 C 7 2H4 C 7 0.333 -11.106 -1.898
169 H5 C 7 H5 C 7 4.011 -11.452 -2.440
170 H6 C 7 H6 C 7 5.533 -11.245 -0.682
171 1H5* G 8 1H5' G 8 4.351 -12.334 3.961
172 2H5* G 8 2H5' G 8 3.405 -11.555 5.250
173 H4* G 8 H4' G 8 2.591 -13.565 6.084
174 H3* G 8 H3' G 8 4.379 -14.788 3.899
175 1H2* G 8 1H2' G 8 1.870 -16.241 4.701
176 2H2* G 8 2H2' G 8 2.575 -16.002 3.076
177 H1* G 8 H1' G 8 0.622 -14.214 4.588
178 H8 G 8 H8 G 8 2.852 -14.013 1.401
179 H1 G 8 H1 G 8 -3.433 -14.095 0.060
180 1H2 G 8 1H2 G 8 -3.828 -14.331 3.537
181 2H2 G 8 2H2 G 8 -4.620 -14.247 1.979
182 H3T G 8 HO3 G 8 3.350 -15.767 6.379
183 H1 TOT 1 H1 TOT 1 -4.081 -3.744 4.538
184 H2 TOT 1 H2 TOT 1 -6.532 -3.878 4.495
185 H3 TOT 1 H3 TOT 1 -7.724 -4.063 2.313
186 H4 TOT 1 H4 TOT 1 -6.453 -4.121 0.215
187 1H6 TOT 1 1H6 TOT 1 -3.430 -3.328 -1.952
188 2H6 TOT 1 2H6 TOT 1 -5.086 -3.503 -1.425
189 3H6 TOT 1 3H6 TOT 1 -4.135 -4.957 -1.782
190 H8 TOT 1 H8 TOT 1 -1.599 -4.407 -1.457
191 H13 TOT 1 H13 TOT 2 4.455 -4.843 -2.148
192 H14 TOT 1 H14 TOT 2 3.502 -5.568 -4.202
193 H15 TOT 1 H15 TOT 2 1.235 -4.864 -4.811
194 H16 TOT 1 H16 TOT 2 -0.369 -4.301 -3.053
195 H19 TOT 1 H9 TOT 2 0.180 -4.795 1.882
196 H20 TOT 1 H10 TOT 2 2.516 -4.361 2.172
197 1H22 TOT 1 1H19 TOT 3 4.284 -3.723 1.704
198 2H22 TOT 1 2H19 TOT 3 4.663 -5.005 0.666
199 1H23 TOT 1 1H20 TOT 3 4.780 -2.016 0.108
200 2H23 TOT 1 2H20 TOT 3 5.660 -3.264 -0.842
201 1H24 TOT 1 1H21 TOT 3 7.053 -3.844 0.984
202 2H24 TOT 1 2H21 TOT 3 6.128 -2.961 2.149
203 1H26 TOT 1 1H23 TOT 3 7.439 0.351 1.122
204 2H26 TOT 1 2H23 TOT 3 6.035 -0.269 0.299
205 1H27 TOT 1 1H24 TOT 4 5.098 -1.058 2.447
206 2H27 TOT 1 2H24 TOT 4 6.452 -0.398 3.340
207 1H28 TOT 1 1H31 TOT 3 7.373 -1.746 -1.081
208 2H28 TOT 1 2H31 TOT 3 8.747 -0.886 -0.384
209 3H28 TOT 1 3H31 TOT 3 8.716 -2.649 -0.372
210 1H29 TOT 1 1H32 TOT 3 7.996 -1.934 3.075
211 2H29 TOT 1 2H32 TOT 3 9.027 -2.767 1.923
212 3H29 TOT 1 3H32 TOT 3 9.111 -1.008 2.058
213 H31 TOT 1 H1 TOT 7 -0.942 4.702 -6.376
214 H32 TOT 1 H2 TOT 7 -2.873 5.000 -7.872
215 H33 TOT 1 H3 TOT 7 -5.128 5.443 -6.900
216 H34 TOT 1 H4 TOT 7 -5.453 5.401 -4.480
217 1H36 TOT 1 1H6 TOT 7 -4.751 5.974 -1.232
218 2H36 TOT 1 2H6 TOT 7 -5.479 4.834 -2.369
219 3H36 TOT 1 3H6 TOT 7 -4.504 4.220 -1.052
220 H38 TOT 1 H8 TOT 7 -2.719 5.232 -0.127
221 H43 TOT 1 H13 TOT 6 1.613 6.641 3.841
222 H44 TOT 1 H14 TOT 6 -0.393 7.194 5.055
223 H45 TOT 1 H15 TOT 6 -2.616 6.714 4.064
224 H46 TOT 1 H16 TOT 6 -2.783 6.107 1.698
225 H49 TOT 1 H9 TOT 6 0.746 4.556 -1.498
226 H50 TOT 1 H10 TOT 6 2.693 4.373 -0.059
227 1H52 TOT 1 1H19 TOT 5 2.868 5.030 3.455
228 2H52 TOT 1 2H19 TOT 5 3.592 5.661 1.980
229 1H53 TOT 1 1H20 TOT 5 3.003 2.760 2.062
230 2H53 TOT 1 2H20 TOT 5 4.275 3.648 1.187
231 1H54 TOT 1 1H21 TOT 5 5.191 4.275 3.506
232 2H54 TOT 1 2H21 TOT 5 4.062 3.070 4.129
233 1H56 TOT 1 1H23 TOT 5 4.603 1.215 1.539
234 2H56 TOT 1 2H23 TOT 5 4.186 0.825 3.203
235 1H58 TOT 1 1H31 TOT 5 7.224 1.385 4.284
236 2H58 TOT 1 2H31 TOT 5 5.639 1.562 5.058
237 3H58 TOT 1 3H31 TOT 5 6.675 2.970 4.802
238 1H59 TOT 1 1H32 TOT 5 6.377 2.752 1.076
239 2H59 TOT 1 2H32 TOT 5 7.648 2.179 2.171
240 3H59 TOT 1 3H32 TOT 5 7.018 3.795 2.353
Start of MODEL 3
Raw file had 240 H/Q atoms
Start of MODEL 3
1 1H5* C 1 1H5' C 1 -11.266 -14.317 -3.768
2 2H5* C 1 2H5' C 1 -9.606 -14.680 -4.283
3 H4* C 1 H4' C 1 -10.785 -15.364 -1.556
4 H3* C 1 H3' C 1 -9.766 -12.792 -2.520
5 1H2* C 1 1H2' C 1 -7.674 -13.057 -0.708
6 2H2* C 1 2H2' C 1 -7.534 -13.375 -2.393
7 H1* C 1 H1' C 1 -8.083 -15.402 -0.186
8 1H4 C 1 1H4 C 1 -2.399 -16.060 -3.817
9 2H4 C 1 2H4 C 1 -1.902 -15.615 -2.196
10 H5 C 1 H5 C 1 -4.790 -16.079 -4.491
11 H6 C 1 H6 C 1 -7.046 -15.778 -3.697
12 H5* C 1 H5' C 1 -10.078 -16.889 -3.885
13 1H5* G 2 1H5' G 2 -8.053 -13.719 1.285
14 2H5* G 2 2H5' G 2 -9.470 -13.277 2.172
15 H4* G 2 H4' G 2 -7.687 -13.200 3.735
16 H3* G 2 H3' G 2 -9.019 -10.774 3.326
17 1H2* G 2 1H2' G 2 -6.849 -9.222 3.149
18 2H2* G 2 2H2' G 2 -7.420 -10.004 1.695
19 H1* G 2 H1' G 2 -5.222 -11.060 3.566
20 H8 G 2 H8 G 2 -6.299 -10.710 -0.247
21 H1 G 2 H1 G 2 0.048 -10.592 0.732
22 1H2 G 2 1H2 G 2 -0.770 -11.065 4.107
23 2H2 G 2 2H2 G 2 0.501 -10.798 2.932
24 1H5* C 3 1H5' C 3 -5.092 -10.631 5.787
25 2H5* C 3 2H5' C 3 -5.352 -9.726 7.309
26 H4* C 3 H4' C 3 -3.121 -9.320 6.598
27 H3* C 3 H3' C 3 -4.997 -6.981 6.174
28 1H2* C 3 1H2' C 3 -2.472 -6.091 4.983
29 2H2* C 3 2H2' C 3 -4.042 -6.301 4.342
30 H1* C 3 H1' C 3 -1.693 -8.318 4.751
31 1H4 C 3 1H4 C 3 -3.335 -7.059 -1.664
32 2H4 C 3 2H4 C 3 -1.584 -6.983 -1.556
33 H5 C 3 H5 C 3 -4.784 -7.226 0.530
34 H6 C 3 H6 C 3 -4.701 -8.064 2.603
35 1H5* T 4 1H5' T 4 -3.281 -2.944 8.850
36 2H5* T 4 2H5' T 4 -4.414 -2.815 7.492
37 H4* T 4 H4' T 4 -1.406 -2.335 7.317
38 H3* T 4 H3' T 4 -3.715 -0.505 8.011
39 1H2* T 4 1H2' T 4 -1.953 1.057 6.310
40 2H2* T 4 2H2' T 4 -3.650 0.619 6.053
41 H1* T 4 H1' T 4 -1.094 -0.836 5.263
42 H3 T 4 H3 T 4 -1.807 -0.629 0.775
43 1H5M T 4 1H5M T 4 -6.660 -1.018 3.138
44 2H5M T 4 2H5M T 4 -6.493 0.463 2.171
45 3H5M T 4 3H5M T 4 -6.458 -1.126 1.382
46 H6 T 4 H6 T 4 -4.778 -0.632 4.536
47 1H5* A 5 1H5' A 5 0.718 0.632 7.682
48 2H5* A 5 2H5' A 5 1.175 1.728 9.033
49 H4* A 5 H4' A 5 2.543 2.021 7.102
50 H3* A 5 H3' A 5 1.160 4.055 8.563
51 1H2* A 5 1H2' A 5 0.369 5.345 6.510
52 2H2* A 5 2H2' A 5 -0.652 4.097 7.123
53 H1* A 5 H1' A 5 1.285 3.960 4.672
54 H8 A 5 H8 A 5 -2.427 3.815 5.870
55 1H6 A 5 1H6 A 5 -3.706 2.254 0.027
56 2H6 A 5 2H6 A 5 -4.393 2.817 1.545
57 H2 A 5 H2 A 5 0.658 1.742 0.651
58 1H5* G 6 1H5' G 6 3.301 6.644 6.041
59 2H5* G 6 2H5' G 6 4.120 5.175 5.363
60 H4* G 6 H4' G 6 5.789 6.234 4.447
61 H3* G 6 H3' G 6 5.834 7.937 6.611
62 1H2* G 6 1H2' G 6 4.919 10.229 5.339
63 2H2* G 6 2H2' G 6 3.863 9.046 6.115
64 H1* G 6 H1' G 6 4.629 9.157 3.152
65 H8 G 6 H8 G 6 1.675 9.856 5.523
66 H1 G 6 H1 G 6 -0.047 8.445 -0.488
67 1H2 G 6 1H2 G 6 3.296 7.457 -0.877
68 2H2 G 6 2H2 G 6 1.734 7.672 -1.644
69 1H5* C 7 1H5' C 7 6.910 7.957 2.328
70 2H5* C 7 2H5' C 7 8.432 8.752 1.889
71 H4* C 7 H4' C 7 6.894 8.493 -0.008
72 H3* C 7 H3' C 7 8.317 10.867 0.613
73 1H2* C 7 1H2' C 7 6.209 12.550 0.132
74 2H2* C 7 2H2' C 7 6.408 11.788 1.686
75 H1* C 7 H1' C 7 4.968 10.551 -0.752
76 1H4 C 7 1H4 C 7 -0.028 13.126 2.936
77 2H4 C 7 2H4 C 7 -0.694 12.628 1.394
78 H5 C 7 H5 C 7 2.407 12.854 3.478
79 H6 C 7 H6 C 7 4.448 12.033 2.714
80 1H5* G 8 1H5' G 8 5.525 12.276 -1.965
81 2H5* G 8 2H5' G 8 5.035 11.440 -3.454
82 H4* G 8 H4' G 8 5.112 13.369 -4.752
83 H3* G 8 H3' G 8 6.037 14.677 -2.125
84 1H2* G 8 1H2' G 8 4.482 16.320 -4.108
85 2H2* G 8 2H2' G 8 4.371 16.289 -2.325
86 H1* G 8 H1' G 8 2.884 14.571 -4.356
87 H8 G 8 H8 G 8 3.499 14.624 -0.511
88 H1 G 8 H1 G 8 -2.653 15.623 -2.066
89 1H2 G 8 1H2 G 8 -1.489 15.520 -5.374
90 2H2 G 8 2H2 G 8 -2.869 15.714 -4.314
91 H3T G 8 HO3 G 8 7.002 16.123 -3.659
92 1H5* C 1 1H5' C 1 -11.537 16.529 -2.877
93 2H5* C 1 2H5' C 1 -10.326 16.790 -1.602
94 H4* C 1 H4' C 1 -9.912 17.391 -4.562
95 H3* C 1 H3' C 1 -9.765 14.823 -3.160
96 1H2* C 1 1H2' C 1 -7.031 14.815 -3.695
97 2H2* C 1 2H2' C 1 -7.716 15.227 -2.173
98 H1* C 1 H1' C 1 -6.911 17.155 -4.392
99 1H4 C 1 1H4 C 1 -3.708 17.722 1.546
100 2H4 C 1 2H4 C 1 -2.509 17.168 0.393
101 H5 C 1 H5 C 1 -6.112 17.889 0.958
102 H6 C 1 H6 C 1 -7.707 17.660 -0.835
103 H5* C 1 H5' C 1 -11.767 18.551 -1.841
104 1H5* G 2 1H5' G 2 -6.344 15.384 -5.626
105 2H5* G 2 2H5' G 2 -7.142 14.960 -7.097
106 H4* G 2 H4' G 2 -4.815 14.709 -7.508
107 H3* G 2 H3' G 2 -6.340 12.386 -7.823
108 1H2* G 2 1H2' G 2 -4.704 10.724 -6.522
109 2H2* G 2 2H2' G 2 -5.877 11.610 -5.578
110 H1* G 2 H1' G 2 -2.962 12.448 -6.066
111 H8 G 2 H8 G 2 -5.856 12.343 -3.342
112 H1 G 2 H1 G 2 0.078 11.810 -0.950
113 1H2 G 2 1H2 G 2 1.115 12.083 -4.285
114 2H2 G 2 2H2 G 2 1.590 11.797 -2.623
115 1H5* C 3 1H5' C 3 -1.708 11.927 -7.877
116 2H5* C 3 2H5' C 3 -1.191 10.937 -9.274
117 H4* C 3 H4' C 3 0.281 10.496 -7.432
118 H3* C 3 H3' C 3 -1.660 8.280 -8.088
119 1H2* C 3 1H2' C 3 -0.210 7.333 -5.686
120 2H2* C 3 2H2' C 3 -1.875 7.577 -6.018
121 H1* C 3 H1' C 3 0.398 9.521 -5.113
122 1H4 C 3 1H4 C 3 -4.463 8.475 -0.558
123 2H4 C 3 2H4 C 3 -2.913 8.391 0.267
124 H5 C 3 H5 C 3 -4.524 8.651 -3.235
125 H6 C 3 H6 C 3 -3.299 9.418 -4.927
126 1H5* T 4 1H5' T 4 2.356 4.380 -8.556
127 2H5* T 4 2H5' T 4 0.742 3.768 -8.133
128 H4* T 4 H4' T 4 2.917 4.419 -6.104
129 H3* T 4 H3' T 4 2.440 2.009 -7.804
130 1H2* T 4 1H2' T 4 2.740 0.771 -5.254
131 2H2* T 4 2H2' T 4 1.247 0.878 -6.221
132 H1* T 4 H1' T 4 2.266 2.828 -4.094
133 H3 T 4 H3 T 4 -0.961 1.961 -1.033
134 1H5M T 4 1H5M T 4 -4.180 2.241 -4.496
135 2H5M T 4 2H5M T 4 -3.251 1.839 -5.949
136 3H5M T 4 3H5M T 4 -3.739 0.552 -4.825
137 H6 T 4 H6 T 4 -0.916 1.844 -5.821
138 1H5* A 5 1H5' A 5 5.464 1.335 -4.338
139 2H5* A 5 2H5' A 5 6.958 0.628 -5.084
140 H4* A 5 H4' A 5 6.788 -0.352 -3.044
141 H3* A 5 H3' A 5 6.423 -1.867 -5.411
142 1H2* A 5 1H2' A 5 4.140 -1.525 -4.862
143 2H2* A 5 2H2' A 5 4.167 -3.041 -4.883
144 H1* A 5 H1' A 5 4.187 -2.284 -2.183
145 H8 A 5 H8 A 5 1.803 -1.907 -5.127
146 1H6 A 5 1H6 A 5 -2.532 -1.000 -0.931
147 2H6 A 5 2H6 A 5 -2.142 -1.268 -2.615
148 H2 A 5 H2 A 5 1.451 -0.703 1.173
149 1H5* G 6 1H5' G 6 6.833 -5.329 -3.007
150 2H5* G 6 2H5' G 6 7.386 -4.145 -1.709
151 H4* G 6 H4' G 6 8.166 -5.513 -0.358
152 H3* G 6 H3' G 6 9.138 -6.891 -2.518
153 1H2* G 6 1H2' G 6 7.595 -9.207 -2.225
154 2H2* G 6 2H2' G 6 7.139 -7.803 -3.185
155 H1* G 6 H1' G 6 6.364 -8.383 -0.276
156 H8 G 6 H8 G 6 4.902 -8.310 -3.818
157 H1 G 6 H1 G 6 0.513 -7.306 0.726
158 1H2 G 6 1H2 G 6 3.275 -6.868 2.852
159 2H2 G 6 2H2 G 6 1.528 -6.915 2.712
160 1H5* C 7 1H5' C 7 7.946 -7.541 1.670
161 2H5* C 7 2H5' C 7 8.981 -8.574 2.671
162 H4* C 7 H4' C 7 6.731 -8.270 3.600
163 H3* C 7 H3' C 7 8.087 -10.759 3.412
164 1H2* C 7 1H2' C 7 5.872 -12.169 2.633
165 2H2* C 7 2H2' C 7 6.863 -11.337 1.461
166 H1* C 7 H1' C 7 4.531 -10.081 3.054
167 1H4 C 7 1H4 C 7 1.794 -11.534 -2.913
168 2H4 C 7 2H4 C 7 0.497 -11.102 -1.819
169 H5 C 7 H5 C 7 4.182 -11.574 -2.189
170 H6 C 7 H6 C 7 5.648 -11.197 -0.408
171 1H5* G 8 1H5' G 8 4.285 -11.918 4.188
172 2H5* G 8 2H5' G 8 3.238 -11.104 5.372
173 H4* G 8 H4' G 8 2.463 -13.097 6.288
174 H3* G 8 H3' G 8 4.389 -14.367 4.252
175 1H2* G 8 1H2' G 8 1.902 -15.862 5.043
176 2H2* G 8 2H2' G 8 2.668 -15.702 3.436
177 H1* G 8 H1' G 8 0.585 -13.899 4.740
178 H8 G 8 H8 G 8 2.967 -13.807 1.661
179 H1 G 8 H1 G 8 -3.231 -14.095 0.004
180 1H2 G 8 1H2 G 8 -3.804 -14.287 3.459
181 2H2 G 8 2H2 G 8 -4.510 -14.271 1.858
182 H3T G 8 HO3 G 8 4.738 -14.672 6.526
183 H1 TOT 1 H1 TOT 1 -4.137 -3.661 4.664
184 H2 TOT 1 H2 TOT 1 -6.562 -3.995 4.630
185 H3 TOT 1 H3 TOT 1 -7.749 -4.225 2.449
186 H4 TOT 1 H4 TOT 1 -6.479 -4.226 0.351
187 1H6 TOT 1 1H6 TOT 1 -5.153 -3.602 -1.293
188 2H6 TOT 1 2H6 TOT 1 -4.081 -4.960 -1.666
189 3H6 TOT 1 3H6 TOT 1 -3.517 -3.275 -1.809
190 H8 TOT 1 H8 TOT 1 -1.634 -4.263 -1.329
191 H13 TOT 1 H13 TOT 2 4.376 -4.845 -2.192
192 H14 TOT 1 H14 TOT 2 3.345 -5.701 -4.148
193 H15 TOT 1 H15 TOT 2 1.053 -5.058 -4.711
194 H16 TOT 1 H16 TOT 2 -0.477 -4.368 -2.953
195 H19 TOT 1 H9 TOT 2 0.260 -4.143 1.992
196 H20 TOT 1 H10 TOT 2 2.606 -3.846 2.138
197 1H22 TOT 1 1H19 TOT 3 4.345 -3.244 1.516
198 2H22 TOT 1 2H19 TOT 3 4.690 -4.703 0.714
199 1H23 TOT 1 1H20 TOT 3 4.941 -1.800 -0.191
200 2H23 TOT 1 2H20 TOT 3 5.666 -3.171 -1.091
201 1H24 TOT 1 1H21 TOT 3 7.110 -3.737 0.705
202 2H24 TOT 1 2H21 TOT 3 6.316 -2.731 1.858
203 1H26 TOT 1 1H23 TOT 3 7.802 0.443 0.672
204 2H26 TOT 1 2H23 TOT 3 6.313 -0.116 -0.061
205 1H27 TOT 1 1H24 TOT 4 5.457 -0.758 2.185
206 2H27 TOT 1 2H24 TOT 4 6.983 -0.191 2.909
207 1H28 TOT 1 1H31 TOT 3 8.911 -0.917 -0.897
208 2H28 TOT 1 2H31 TOT 3 8.799 -2.673 -0.832
209 3H28 TOT 1 3H31 TOT 3 7.456 -1.722 -1.484
210 1H29 TOT 1 1H32 TOT 3 8.334 -1.875 2.626
211 2H29 TOT 1 2H32 TOT 3 9.232 -2.783 1.422
212 3H29 TOT 1 3H32 TOT 3 9.434 -1.031 1.524
213 H31 TOT 1 H1 TOT 7 -1.212 4.610 -6.222
214 H32 TOT 1 H2 TOT 7 -3.169 4.939 -7.680
215 H33 TOT 1 H3 TOT 7 -5.367 5.557 -6.672
216 H34 TOT 1 H4 TOT 7 -5.630 5.617 -4.244
217 1H36 TOT 1 1H6 TOT 7 -5.620 5.016 -2.127
218 2H36 TOT 1 2H6 TOT 7 -4.630 4.493 -0.783
219 3H36 TOT 1 3H6 TOT 7 -4.872 6.233 -1.083
220 H38 TOT 1 H8 TOT 7 -2.814 5.496 0.031
221 H43 TOT 1 H13 TOT 6 1.637 6.596 3.947
222 H44 TOT 1 H14 TOT 6 -0.311 7.250 5.189
223 H45 TOT 1 H15 TOT 6 -2.583 6.730 4.298
224 H46 TOT 1 H16 TOT 6 -2.838 6.132 1.942
225 H49 TOT 1 H9 TOT 6 0.608 4.647 -1.396
226 H50 TOT 1 H10 TOT 6 2.558 4.323 0.016
227 1H52 TOT 1 1H19 TOT 5 2.811 4.969 3.536
228 2H52 TOT 1 2H19 TOT 5 3.576 5.482 2.049
229 1H53 TOT 1 1H20 TOT 5 2.685 2.654 2.277
230 2H53 TOT 1 2H20 TOT 5 3.979 3.353 1.280
231 1H54 TOT 1 1H21 TOT 5 5.286 3.877 3.273
232 2H54 TOT 1 2H21 TOT 5 3.959 3.298 4.283
233 1H56 TOT 1 1H23 TOT 5 6.518 2.085 1.955
234 2H56 TOT 1 2H23 TOT 5 5.005 1.442 1.310
235 1H58 TOT 1 1H31 TOT 5 4.318 -0.191 4.026
236 2H58 TOT 1 2H31 TOT 5 3.294 0.615 2.840
237 3H58 TOT 1 3H31 TOT 5 3.301 1.149 4.528
238 1H59 TOT 1 1H32 TOT 5 5.505 2.079 5.461
239 2H59 TOT 1 2H32 TOT 5 6.847 2.340 4.342
240 3H59 TOT 1 3H32 TOT 5 6.337 0.699 4.772
Start of MODEL 4
Raw file had 240 H/Q atoms
Start of MODEL 4
1 1H5* C 1 1H5' C 1 -11.034 -14.449 -3.881
2 2H5* C 1 2H5' C 1 -9.360 -14.780 -4.375
3 H4* C 1 H4' C 1 -10.562 -15.493 -1.666
4 H3* C 1 H3' C 1 -9.573 -12.905 -2.614
5 1H2* C 1 1H2' C 1 -7.504 -13.139 -0.769
6 2H2* C 1 2H2' C 1 -7.334 -13.450 -2.452
7 H1* C 1 H1' C 1 -7.885 -15.495 -0.261
8 1H4 C 1 1H4 C 1 -2.133 -16.084 -3.791
9 2H4 C 1 2H4 C 1 -1.667 -15.646 -2.159
10 H5 C 1 H5 C 1 -4.510 -16.116 -4.509
11 H6 C 1 H6 C 1 -6.782 -15.839 -3.755
12 H5* C 1 H5' C 1 -9.798 -16.998 -3.991
13 1H5* G 2 1H5' G 2 -7.913 -13.816 1.213
14 2H5* G 2 2H5' G 2 -9.345 -13.392 2.082
15 H4* G 2 H4' G 2 -7.577 -13.313 3.664
16 H3* G 2 H3' G 2 -8.934 -10.899 3.270
17 1H2* G 2 1H2' G 2 -6.783 -9.319 3.131
18 2H2* G 2 2H2' G 2 -7.329 -10.090 1.662
19 H1* G 2 H1' G 2 -5.134 -11.142 3.538
20 H8 G 2 H8 G 2 -6.187 -10.766 -0.278
21 H1 G 2 H1 G 2 0.149 -10.573 0.753
22 1H2 G 2 1H2 G 2 -0.691 -11.056 4.120
23 2H2 G 2 2H2 G 2 0.584 -10.757 2.958
24 1H5* C 3 1H5' C 3 -5.027 -10.756 5.767
25 2H5* C 3 2H5' C 3 -5.302 -9.868 7.296
26 H4* C 3 H4' C 3 -3.065 -9.449 6.598
27 H3* C 3 H3' C 3 -4.948 -7.109 6.204
28 1H2* C 3 1H2' C 3 -2.415 -6.199 5.044
29 2H2* C 3 2H2' C 3 -3.983 -6.397 4.389
30 H1* C 3 H1' C 3 -1.633 -8.416 4.768
31 1H4 C 3 1H4 C 3 -3.274 -7.009 -1.617
32 2H4 C 3 2H4 C 3 -1.524 -6.917 -1.500
33 H5 C 3 H5 C 3 -4.728 -7.248 0.568
34 H6 C 3 H6 C 3 -4.637 -8.141 2.622
35 1H5* T 4 1H5' T 4 -3.210 -3.073 8.848
36 2H5* T 4 2H5' T 4 -4.353 -2.957 7.498
37 H4* T 4 H4' T 4 -1.346 -2.486 7.283
38 H3* T 4 H3' T 4 -3.639 -0.651 8.010
39 1H2* T 4 1H2' T 4 -1.887 0.898 6.287
40 2H2* T 4 2H2' T 4 -3.595 0.478 6.059
41 H1* T 4 H1' T 4 -1.064 -0.997 5.218
42 H3 T 4 H3 T 4 -1.861 -0.682 0.750
43 1H5M T 4 1H5M T 4 -6.511 0.395 2.288
44 2H5M T 4 2H5M T 4 -6.505 -1.158 1.426
45 3H5M T 4 3H5M T 4 -6.669 -1.128 3.190
46 H6 T 4 H6 T 4 -4.757 -0.767 4.570
47 1H5* A 5 1H5' A 5 0.797 0.627 7.670
48 2H5* A 5 2H5' A 5 1.202 1.751 9.013
49 H4* A 5 H4' A 5 2.536 2.098 7.058
50 H3* A 5 H3' A 5 1.091 4.074 8.534
51 1H2* A 5 1H2' A 5 0.217 5.319 6.488
52 2H2* A 5 2H2' A 5 -0.750 4.040 7.136
53 H1* A 5 H1' A 5 1.133 3.960 4.645
54 H8 A 5 H8 A 5 -2.539 3.590 5.956
55 1H6 A 5 1H6 A 5 -3.885 2.230 0.072
56 2H6 A 5 2H6 A 5 -4.567 2.701 1.624
57 H2 A 5 H2 A 5 0.499 1.846 0.593
58 1H5* G 6 1H5' G 6 3.040 6.764 5.996
59 2H5* G 6 2H5' G 6 3.939 5.356 5.300
60 H4* G 6 H4' G 6 5.521 6.547 4.341
61 H3* G 6 H3' G 6 5.514 8.253 6.510
62 1H2* G 6 1H2' G 6 4.139 10.362 5.511
63 2H2* G 6 2H2' G 6 3.288 8.939 6.197
64 H1* G 6 H1' G 6 4.176 9.310 3.232
65 H8 G 6 H8 G 6 1.182 9.888 5.479
66 H1 G 6 H1 G 6 -0.429 8.419 -0.554
67 1H2 G 6 1H2 G 6 2.956 7.535 -0.870
68 2H2 G 6 2H2 G 6 1.402 7.679 -1.669
69 1H5* C 7 1H5' C 7 6.315 7.535 2.285
70 2H5* C 7 2H5' C 7 7.910 7.529 1.515
71 H4* C 7 H4' C 7 6.385 8.141 -0.161
72 H3* C 7 H3' C 7 8.263 10.201 0.629
73 1H2* C 7 1H2' C 7 6.419 12.193 0.177
74 2H2* C 7 2H2' C 7 6.498 11.383 1.736
75 H1* C 7 H1' C 7 4.914 10.361 -0.692
76 1H4 C 7 1H4 C 7 0.073 13.196 3.005
77 2H4 C 7 2H4 C 7 -0.639 12.618 1.511
78 H5 C 7 H5 C 7 2.519 12.996 3.460
79 H6 C 7 H6 C 7 4.573 12.125 2.650
80 1H5* G 8 1H5' G 8 5.708 11.996 -1.937
81 2H5* G 8 2H5' G 8 5.196 11.134 -3.409
82 H4* G 8 H4' G 8 5.323 13.022 -4.752
83 H3* G 8 H3' G 8 6.341 14.358 -2.175
84 1H2* G 8 1H2' G 8 4.803 16.015 -4.160
85 2H2* G 8 2H2' G 8 4.728 16.025 -2.375
86 H1* G 8 H1' G 8 3.136 14.322 -4.339
87 H8 G 8 H8 G 8 3.843 14.431 -0.505
88 H1 G 8 H1 G 8 -2.310 15.589 -1.936
89 1H2 G 8 1H2 G 8 -1.227 15.410 -5.269
90 2H2 G 8 2H2 G 8 -2.572 15.673 -4.181
91 H3T G 8 HO3 G 8 7.710 14.229 -4.043
92 1H5* C 1 1H5' C 1 -11.122 17.061 -2.675
93 2H5* C 1 2H5' C 1 -9.896 17.207 -1.397
94 H4* C 1 H4' C 1 -9.451 17.871 -4.339
95 H3* C 1 H3' C 1 -9.468 15.252 -3.031
96 1H2* C 1 1H2' C 1 -6.741 15.081 -3.560
97 2H2* C 1 2H2' C 1 -7.401 15.491 -2.025
98 H1* C 1 H1' C 1 -6.463 17.425 -4.184
99 1H4 C 1 1H4 C 1 -3.245 17.691 1.763
100 2H4 C 1 2H4 C 1 -2.073 17.109 0.597
101 H5 C 1 H5 C 1 -5.638 17.983 1.182
102 H6 C 1 H6 C 1 -7.241 17.877 -0.615
103 H5* C 1 H5' C 1 -11.221 19.062 -1.580
104 1H5* G 2 1H5' G 2 -5.983 15.665 -5.473
105 2H5* G 2 2H5' G 2 -6.833 15.381 -6.951
106 H4* G 2 H4' G 2 -4.548 14.951 -7.426
107 H3* G 2 H3' G 2 -6.258 12.777 -7.802
108 1H2* G 2 1H2' G 2 -4.771 10.939 -6.577
109 2H2* G 2 2H2' G 2 -5.850 11.889 -5.588
110 H1* G 2 H1' G 2 -2.875 12.468 -6.078
111 H8 G 2 H8 G 2 -5.738 12.518 -3.324
112 H1 G 2 H1 G 2 0.187 11.716 -0.977
113 1H2 G 2 1H2 G 2 1.207 11.900 -4.325
114 2H2 G 2 2H2 G 2 1.683 11.624 -2.663
115 1H5* C 3 1H5' C 3 -1.705 11.935 -7.941
116 2H5* C 3 2H5' C 3 -1.250 10.910 -9.336
117 H4* C 3 H4' C 3 0.147 10.397 -7.431
118 H3* C 3 H3' C 3 -1.857 8.269 -8.200
119 1H2* C 3 1H2' C 3 -0.515 7.259 -5.753
120 2H2* C 3 2H2' C 3 -2.158 7.530 -6.148
121 H1* C 3 H1' C 3 0.133 9.407 -5.143
122 1H4 C 3 1H4 C 3 -4.890 8.568 -0.732
123 2H4 C 3 2H4 C 3 -3.377 8.438 0.151
124 H5 C 3 H5 C 3 -4.857 8.691 -3.398
125 H6 C 3 H6 C 3 -3.581 9.363 -5.073
126 1H5* T 4 1H5' T 4 2.082 4.265 -8.652
127 2H5* T 4 2H5' T 4 0.475 3.676 -8.177
128 H4* T 4 H4' T 4 2.730 4.295 -6.225
129 H3* T 4 H3' T 4 2.153 1.889 -7.903
130 1H2* T 4 1H2' T 4 2.556 0.659 -5.360
131 2H2* T 4 2H2' T 4 1.028 0.759 -6.269
132 H1* T 4 H1' T 4 2.134 2.700 -4.187
133 H3 T 4 H3 T 4 -1.068 2.068 -1.039
134 1H5M T 4 1H5M T 4 -3.441 1.763 -5.900
135 2H5M T 4 2H5M T 4 -3.904 0.492 -4.749
136 3H5M T 4 3H5M T 4 -4.345 2.184 -4.437
137 H6 T 4 H6 T 4 -1.101 1.713 -5.815
138 1H5* A 5 1H5' A 5 5.285 1.313 -4.562
139 2H5* A 5 2H5' A 5 6.773 0.600 -5.314
140 H4* A 5 H4' A 5 6.654 -0.295 -3.224
141 H3* A 5 H3' A 5 6.287 -1.915 -5.522
142 1H2* A 5 1H2' A 5 4.005 -1.593 -4.951
143 2H2* A 5 2H2' A 5 4.068 -3.105 -4.919
144 H1* A 5 H1' A 5 4.108 -2.244 -2.246
145 H8 A 5 H8 A 5 1.673 -2.056 -5.158
146 1H6 A 5 1H6 A 5 -2.612 -0.893 -0.971
147 2H6 A 5 2H6 A 5 -2.244 -1.279 -2.638
148 H2 A 5 H2 A 5 1.398 -0.483 1.062
149 1H5* G 6 1H5' G 6 6.802 -5.262 -2.996
150 2H5* G 6 2H5' G 6 7.346 -4.029 -1.742
151 H4* G 6 H4' G 6 8.161 -5.339 -0.352
152 H3* G 6 H3' G 6 9.158 -6.750 -2.466
153 1H2* G 6 1H2' G 6 7.667 -9.093 -2.125
154 2H2* G 6 2H2' G 6 7.184 -7.724 -3.120
155 H1* G 6 H1' G 6 6.412 -8.252 -0.200
156 H8 G 6 H8 G 6 4.962 -8.312 -3.739
157 H1 G 6 H1 G 6 0.544 -7.221 0.752
158 1H2 G 6 1H2 G 6 3.279 -6.632 2.866
159 2H2 G 6 2H2 G 6 1.534 -6.736 2.719
160 1H5* C 7 1H5' C 7 7.972 -7.321 1.749
161 2H5* C 7 2H5' C 7 9.010 -8.321 2.779
162 H4* C 7 H4' C 7 6.742 -8.015 3.677
163 H3* C 7 H3' C 7 8.133 -10.486 3.593
164 1H2* C 7 1H2' C 7 5.962 -11.958 2.809
165 2H2* C 7 2H2' C 7 6.960 -11.139 1.633
166 H1* C 7 H1' C 7 4.576 -9.884 3.150
167 1H4 C 7 1H4 C 7 1.961 -11.587 -2.805
168 2H4 C 7 2H4 C 7 0.641 -11.132 -1.748
169 H5 C 7 H5 C 7 4.340 -11.559 -2.041
170 H6 C 7 H6 C 7 5.770 -11.088 -0.255
171 1H5* G 8 1H5' G 8 4.331 -11.704 4.309
172 2H5* G 8 2H5' G 8 3.230 -10.890 5.444
173 H4* G 8 H4' G 8 2.491 -12.878 6.398
174 H3* G 8 H3' G 8 4.501 -14.150 4.445
175 1H2* G 8 1H2' G 8 2.038 -15.695 5.218
176 2H2* G 8 2H2' G 8 2.839 -15.556 3.627
177 H1* G 8 H1' G 8 0.675 -13.779 4.832
178 H8 G 8 H8 G 8 3.125 -13.702 1.807
179 H1 G 8 H1 G 8 -3.025 -14.163 0.014
180 1H2 G 8 1H2 G 8 -3.673 -14.323 3.458
181 2H2 G 8 2H2 G 8 -4.343 -14.341 1.841
182 H3T G 8 HO3 G 8 3.373 -14.987 6.934
183 H1 TOT 1 H1 TOT 1 -4.155 -3.833 4.684
184 H2 TOT 1 H2 TOT 1 -6.579 -4.161 4.650
185 H3 TOT 1 H3 TOT 1 -7.781 -4.262 2.466
186 H4 TOT 1 H4 TOT 1 -6.530 -4.161 0.368
187 1H6 TOT 1 1H6 TOT 1 -5.217 -4.128 -1.331
188 2H6 TOT 1 2H6 TOT 1 -3.666 -4.795 -1.796
189 3H6 TOT 1 3H6 TOT 1 -3.877 -3.034 -1.666
190 H8 TOT 1 H8 TOT 1 -1.646 -3.940 -1.334
191 H13 TOT 1 H13 TOT 2 4.344 -4.801 -2.164
192 H14 TOT 1 H14 TOT 2 3.328 -5.751 -4.074
193 H15 TOT 1 H15 TOT 2 1.010 -5.217 -4.638
194 H16 TOT 1 H16 TOT 2 -0.546 -4.623 -2.866
195 H19 TOT 1 H9 TOT 2 0.228 -3.741 1.982
196 H20 TOT 1 H10 TOT 2 2.578 -3.581 2.120
197 1H22 TOT 1 1H19 TOT 3 4.322 -3.046 1.475
198 2H22 TOT 1 2H19 TOT 3 4.647 -4.538 0.741
199 1H23 TOT 1 1H20 TOT 3 4.893 -1.671 -0.287
200 2H23 TOT 1 2H20 TOT 3 5.618 -3.070 -1.140
201 1H24 TOT 1 1H21 TOT 3 7.081 -3.555 0.657
202 2H24 TOT 1 2H21 TOT 3 6.292 -2.526 1.789
203 1H26 TOT 1 1H23 TOT 3 7.725 0.633 0.516
204 2H26 TOT 1 2H23 TOT 3 6.220 0.045 -0.158
205 1H27 TOT 1 1H24 TOT 4 5.445 -0.563 2.128
206 2H27 TOT 1 2H24 TOT 4 6.986 0.035 2.789
207 1H28 TOT 1 1H31 TOT 3 8.727 -2.491 -0.954
208 2H28 TOT 1 2H31 TOT 3 7.355 -1.571 -1.592
209 3H28 TOT 1 3H31 TOT 3 8.811 -0.736 -1.051
210 1H29 TOT 1 1H32 TOT 3 9.213 -2.564 1.286
211 2H29 TOT 1 2H32 TOT 3 9.392 -0.808 1.363
212 3H29 TOT 1 3H32 TOT 3 8.329 -1.655 2.499
213 H31 TOT 1 H1 TOT 7 -1.351 4.479 -6.271
214 H32 TOT 1 H2 TOT 7 -3.272 4.877 -7.760
215 H33 TOT 1 H3 TOT 7 -5.481 5.499 -6.784
216 H34 TOT 1 H4 TOT 7 -5.762 5.618 -4.353
217 1H36 TOT 1 1H6 TOT 7 -5.131 6.306 -1.332
218 2H36 TOT 1 2H6 TOT 7 -5.748 4.910 -2.225
219 3H36 TOT 1 3H6 TOT 7 -4.772 4.643 -0.798
220 H38 TOT 1 H8 TOT 7 -2.980 5.703 -0.081
221 H43 TOT 1 H13 TOT 6 1.344 6.619 3.942
222 H44 TOT 1 H14 TOT 6 -0.664 7.133 5.190
223 H45 TOT 1 H15 TOT 6 -2.878 6.458 4.292
224 H46 TOT 1 H16 TOT 6 -3.091 5.835 1.932
225 H49 TOT 1 H9 TOT 6 0.445 4.688 -1.429
226 H50 TOT 1 H10 TOT 6 2.394 4.431 -0.012
227 1H52 TOT 1 1H19 TOT 5 2.606 5.053 3.521
228 2H52 TOT 1 2H19 TOT 5 3.371 5.570 2.036
229 1H53 TOT 1 1H20 TOT 5 2.546 2.721 2.434
230 2H53 TOT 1 2H20 TOT 5 3.697 3.371 1.248
231 1H54 TOT 1 1H21 TOT 5 5.191 4.092 3.062
232 2H54 TOT 1 2H21 TOT 5 3.996 3.518 4.220
233 1H56 TOT 1 1H23 TOT 5 6.449 2.288 1.782
234 2H56 TOT 1 2H23 TOT 5 4.915 1.599 1.245
235 1H58 TOT 1 1H31 TOT 5 4.490 0.030 4.083
236 2H58 TOT 1 2H31 TOT 5 3.346 0.728 2.937
237 3H58 TOT 1 3H31 TOT 5 3.441 1.342 4.596
238 1H59 TOT 1 1H32 TOT 5 6.893 2.701 4.109
239 2H59 TOT 1 2H32 TOT 5 6.516 1.053 4.633
240 3H59 TOT 1 3H32 TOT 5 5.652 2.408 5.331
Start of MODEL 5
Raw file had 240 H/Q atoms
Start of MODEL 5
1 1H5* C 1 1H5' C 1 -10.440 -15.303 -3.998
2 2H5* C 1 2H5' C 1 -8.729 -15.488 -4.436
3 H4* C 1 H4' C 1 -9.949 -16.271 -1.754
4 H3* C 1 H3' C 1 -9.178 -13.613 -2.703
5 1H2* C 1 1H2' C 1 -7.147 -13.626 -0.804
6 2H2* C 1 2H2' C 1 -6.901 -13.946 -2.477
7 H1* C 1 H1' C 1 -7.320 -15.999 -0.266
8 1H4 C 1 1H4 C 1 -1.446 -16.229 -3.623
9 2H4 C 1 2H4 C 1 -1.058 -15.743 -1.984
10 H5 C 1 H5 C 1 -3.792 -16.420 -4.410
11 H6 C 1 H6 C 1 -6.100 -16.292 -3.725
12 H5* C 1 H5' C 1 -8.976 -17.731 -4.026
13 1H5* G 2 1H5' G 2 -7.529 -14.313 1.187
14 2H5* G 2 2H5' G 2 -9.032 -14.041 1.999
15 H4* G 2 H4' G 2 -7.348 -13.747 3.646
16 H3* G 2 H3' G 2 -8.941 -11.503 3.164
17 1H2* G 2 1H2' G 2 -6.982 -9.700 3.052
18 2H2* G 2 2H2' G 2 -7.382 -10.555 1.584
19 H1* G 2 H1' G 2 -5.153 -11.316 3.561
20 H8 G 2 H8 G 2 -6.093 -11.123 -0.297
21 H1 G 2 H1 G 2 0.186 -10.507 0.914
22 1H2 G 2 1H2 G 2 -0.738 -10.864 4.278
23 2H2 G 2 2H2 G 2 0.559 -10.566 3.137
24 1H5* C 3 1H5' C 3 -5.179 -10.878 5.783
25 2H5* C 3 2H5' C 3 -5.553 -9.950 7.267
26 H4* C 3 H4' C 3 -3.346 -9.386 6.502
27 H3* C 3 H3' C 3 -5.427 -7.220 6.120
28 1H2* C 3 1H2' C 3 -2.948 -6.156 4.914
29 2H2* C 3 2H2' C 3 -4.522 -6.409 4.298
30 H1* C 3 H1' C 3 -2.058 -8.301 4.646
31 1H4 C 3 1H4 C 3 -3.814 -7.195 -1.761
32 2H4 C 3 2H4 C 3 -2.067 -7.047 -1.671
33 H5 C 3 H5 C 3 -5.236 -7.373 0.458
34 H6 C 3 H6 C 3 -5.109 -8.156 2.527
35 1H5* T 4 1H5' T 4 -3.366 -3.052 8.792
36 2H5* T 4 2H5' T 4 -4.501 -2.805 7.451
37 H4* T 4 H4' T 4 -1.466 -2.578 7.236
38 H3* T 4 H3' T 4 -3.606 -0.607 8.027
39 1H2* T 4 1H2' T 4 -1.901 0.897 6.248
40 2H2* T 4 2H2' T 4 -3.615 0.485 6.050
41 H1* T 4 H1' T 4 -1.121 -1.034 5.164
42 H3 T 4 H3 T 4 -1.955 -0.615 0.706
43 1H5M T 4 1H5M T 4 -6.602 0.384 2.198
44 2H5M T 4 2H5M T 4 -6.579 -1.232 1.461
45 3H5M T 4 3H5M T 4 -6.738 -1.065 3.217
46 H6 T 4 H6 T 4 -4.814 -0.753 4.552
47 1H5* A 5 1H5' A 5 0.905 0.553 7.541
48 2H5* A 5 2H5' A 5 1.336 1.638 8.910
49 H4* A 5 H4' A 5 2.645 2.058 6.970
50 H3* A 5 H3' A 5 1.171 3.973 8.506
51 1H2* A 5 1H2' A 5 0.289 5.269 6.492
52 2H2* A 5 2H2' A 5 -0.660 3.960 7.099
53 H1* A 5 H1' A 5 1.228 3.971 4.607
54 H8 A 5 H8 A 5 -2.444 3.600 5.889
55 1H6 A 5 1H6 A 5 -3.795 2.248 0.019
56 2H6 A 5 2H6 A 5 -4.461 2.732 1.573
57 H2 A 5 H2 A 5 0.596 1.825 0.534
58 1H5* G 6 1H5' G 6 3.115 6.753 6.008
59 2H5* G 6 2H5' G 6 3.977 5.327 5.316
60 H4* G 6 H4' G 6 5.588 6.477 4.342
61 H3* G 6 H3' G 6 5.631 8.196 6.495
62 1H2* G 6 1H2' G 6 4.290 10.325 5.502
63 2H2* G 6 2H2' G 6 3.414 8.922 6.193
64 H1* G 6 H1' G 6 4.290 9.262 3.218
65 H8 G 6 H8 G 6 1.321 9.912 5.485
66 H1 G 6 H1 G 6 -0.348 8.436 -0.530
67 1H2 G 6 1H2 G 6 3.027 7.529 -0.874
68 2H2 G 6 2H2 G 6 1.469 7.689 -1.661
69 1H5* C 7 1H5' C 7 6.386 7.452 2.251
70 2H5* C 7 2H5' C 7 7.976 7.418 1.471
71 H4* C 7 H4' C 7 6.451 8.059 -0.195
72 H3* C 7 H3' C 7 8.373 10.082 0.579
73 1H2* C 7 1H2' C 7 6.565 12.112 0.155
74 2H2* C 7 2H2' C 7 6.644 11.291 1.710
75 H1* C 7 H1' C 7 5.016 10.314 -0.709
76 1H4 C 7 1H4 C 7 0.264 13.214 3.052
77 2H4 C 7 2H4 C 7 -0.474 12.651 1.565
78 H5 C 7 H5 C 7 2.713 12.976 3.476
79 H6 C 7 H6 C 7 4.743 12.074 2.638
80 1H5* G 8 1H5' G 8 5.826 11.941 -1.953
81 2H5* G 8 2H5' G 8 5.285 11.092 -3.423
82 H4* G 8 H4' G 8 5.424 12.978 -4.762
83 H3* G 8 H3' G 8 6.502 14.297 -2.201
84 1H2* G 8 1H2' G 8 4.958 15.980 -4.158
85 2H2* G 8 2H2' G 8 4.911 15.988 -2.373
86 H1* G 8 H1' G 8 3.261 14.315 -4.315
87 H8 G 8 H8 G 8 4.031 14.405 -0.492
88 H1 G 8 H1 G 8 -2.131 15.641 -1.819
89 1H2 G 8 1H2 G 8 -1.103 15.471 -5.170
90 2H2 G 8 2H2 G 8 -2.428 15.741 -4.058
91 H3T G 8 HO3 G 8 7.477 15.660 -3.800
92 1H5* C 1 1H5' C 1 -10.966 17.183 -2.457
93 2H5* C 1 2H5' C 1 -9.726 17.296 -1.189
94 H4* C 1 H4' C 1 -9.302 17.995 -4.126
95 H3* C 1 H3' C 1 -9.338 15.359 -2.853
96 1H2* C 1 1H2' C 1 -6.617 15.164 -3.413
97 2H2* C 1 2H2' C 1 -7.257 15.561 -1.866
98 H1* C 1 H1' C 1 -6.316 17.514 -4.006
99 1H4 C 1 1H4 C 1 -3.040 17.674 1.912
100 2H4 C 1 2H4 C 1 -1.884 17.097 0.729
101 H5 C 1 H5 C 1 -5.436 17.993 1.359
102 H6 C 1 H6 C 1 -7.057 17.924 -0.424
103 H5* C 1 H5' C 1 -11.030 19.169 -1.333
104 1H5* G 2 1H5' G 2 -5.878 15.766 -5.325
105 2H5* G 2 2H5' G 2 -6.742 15.507 -6.799
106 H4* G 2 H4' G 2 -4.467 15.062 -7.299
107 H3* G 2 H3' G 2 -6.197 12.905 -7.682
108 1H2* G 2 1H2' G 2 -4.715 11.044 -6.489
109 2H2* G 2 2H2' G 2 -5.778 11.992 -5.479
110 H1* G 2 H1' G 2 -2.803 12.552 -5.989
111 H8 G 2 H8 G 2 -5.639 12.589 -3.208
112 H1 G 2 H1 G 2 0.305 11.745 -0.928
113 1H2 G 2 1H2 G 2 1.290 11.943 -4.286
114 2H2 G 2 2H2 G 2 1.782 11.650 -2.630
115 1H5* C 3 1H5' C 3 -1.650 12.040 -7.869
116 2H5* C 3 2H5' C 3 -1.210 11.023 -9.274
117 H4* C 3 H4' C 3 0.197 10.496 -7.377
118 H3* C 3 H3' C 3 -1.813 8.378 -8.156
119 1H2* C 3 1H2' C 3 -0.456 7.348 -5.720
120 2H2* C 3 2H2' C 3 -2.102 7.617 -6.108
121 H1* C 3 H1' C 3 0.191 9.489 -5.098
122 1H4 C 3 1H4 C 3 -4.811 8.604 -0.672
123 2H4 C 3 2H4 C 3 -3.292 8.465 0.200
124 H5 C 3 H5 C 3 -4.792 8.756 -3.338
125 H6 C 3 H6 C 3 -3.524 9.442 -5.013
126 1H5* T 4 1H5' T 4 2.107 4.365 -8.696
127 2H5* T 4 2H5' T 4 0.492 3.786 -8.236
128 H4* T 4 H4' T 4 2.754 4.336 -6.270
129 H3* T 4 H3' T 4 2.114 1.963 -7.976
130 1H2* T 4 1H2' T 4 2.502 0.707 -5.440
131 2H2* T 4 2H2' T 4 0.977 0.844 -6.351
132 H1* T 4 H1' T 4 2.117 2.755 -4.253
133 H3 T 4 H3 T 4 -1.077 2.036 -1.108
134 1H5M T 4 1H5M T 4 -3.929 0.569 -4.843
135 2H5M T 4 2H5M T 4 -4.366 2.255 -4.496
136 3H5M T 4 3H5M T 4 -3.467 1.863 -5.970
137 H6 T 4 H6 T 4 -1.129 1.818 -5.892
138 1H5* A 5 1H5' A 5 5.251 1.217 -4.666
139 2H5* A 5 2H5' A 5 6.698 0.443 -5.436
140 H4* A 5 H4' A 5 6.541 -0.467 -3.353
141 H3* A 5 H3' A 5 6.093 -2.045 -5.668
142 1H2* A 5 1H2' A 5 3.831 -1.625 -5.091
143 2H2* A 5 2H2' A 5 3.822 -3.141 -5.058
144 H1* A 5 H1' A 5 3.900 -2.292 -2.389
145 H8 A 5 H8 A 5 1.482 -1.955 -5.308
146 1H6 A 5 1H6 A 5 -2.754 -0.981 -1.021
147 2H6 A 5 2H6 A 5 -2.413 -1.295 -2.708
148 H2 A 5 H2 A 5 1.275 -0.573 0.960
149 1H5* G 6 1H5' G 6 6.445 -5.400 -3.128
150 2H5* G 6 2H5' G 6 7.039 -4.180 -1.897
151 H4* G 6 H4' G 6 7.759 -5.536 -0.458
152 H3* G 6 H3' G 6 8.738 -7.039 -2.523
153 1H2* G 6 1H2' G 6 6.975 -9.137 -2.499
154 2H2* G 6 2H2' G 6 6.648 -7.604 -3.382
155 H1* G 6 H1' G 6 5.946 -8.270 -0.420
156 H8 G 6 H8 G 6 4.440 -8.371 -3.881
157 H1 G 6 H1 G 6 0.048 -7.199 0.623
158 1H2 G 6 1H2 G 6 2.812 -6.622 2.707
159 2H2 G 6 2H2 G 6 1.065 -6.702 2.578
160 1H5* C 7 1H5' C 7 7.292 -6.703 1.601
161 2H5* C 7 2H5' C 7 8.283 -6.901 3.057
162 H4* C 7 H4' C 7 6.069 -7.439 3.660
163 H3* C 7 H3' C 7 7.987 -9.604 3.793
164 1H2* C 7 1H2' C 7 6.076 -11.466 3.100
165 2H2* C 7 2H2' C 7 6.999 -10.621 1.865
166 H1* C 7 H1' C 7 4.432 -9.556 3.186
167 1H4 C 7 1H4 C 7 2.110 -11.803 -2.704
168 2H4 C 7 2H4 C 7 0.749 -11.253 -1.747
169 H5 C 7 H5 C 7 4.441 -11.779 -1.811
170 H6 C 7 H6 C 7 5.808 -11.122 0.007
171 1H5* G 8 1H5' G 8 4.383 -11.284 4.550
172 2H5* G 8 2H5' G 8 3.232 -10.426 5.605
173 H4* G 8 H4' G 8 2.530 -12.355 6.681
174 H3* G 8 H3' G 8 4.665 -13.699 4.922
175 1H2* G 8 1H2' G 8 2.222 -15.277 5.695
176 2H2* G 8 2H2' G 8 3.093 -15.226 4.136
177 H1* G 8 H1' G 8 0.809 -13.452 5.102
178 H8 G 8 H8 G 8 3.410 -13.506 2.197
179 H1 G 8 H1 G 8 -2.624 -14.257 0.137
180 1H2 G 8 1H2 G 8 -3.440 -14.275 3.550
181 2H2 G 8 2H2 G 8 -4.024 -14.415 1.906
182 H3T G 8 HO3 G 8 3.444 -14.389 7.410
183 H1 TOT 1 H1 TOT 1 -4.433 -3.621 4.636
184 H2 TOT 1 H2 TOT 1 -6.834 -4.114 4.653
185 H3 TOT 1 H3 TOT 1 -8.039 -4.443 2.494
186 H4 TOT 1 H4 TOT 1 -6.798 -4.423 0.375
187 1H6 TOT 1 1H6 TOT 1 -3.872 -3.412 -1.845
188 2H6 TOT 1 2H6 TOT 1 -5.505 -3.679 -1.282
189 3H6 TOT 1 3H6 TOT 1 -4.486 -5.075 -1.655
190 H8 TOT 1 H8 TOT 1 -1.982 -4.381 -1.363
191 H13 TOT 1 H13 TOT 2 4.005 -4.855 -2.306
192 H14 TOT 1 H14 TOT 2 2.929 -5.745 -4.222
193 H15 TOT 1 H15 TOT 2 0.650 -5.068 -4.778
194 H16 TOT 1 H16 TOT 2 -0.847 -4.288 -3.015
195 H19 TOT 1 H9 TOT 2 -0.057 -3.778 1.887
196 H20 TOT 1 H10 TOT 2 2.291 -3.593 2.001
197 1H22 TOT 1 1H19 TOT 3 4.031 -3.048 1.327
198 2H22 TOT 1 2H19 TOT 3 4.345 -4.572 0.633
199 1H23 TOT 1 1H20 TOT 3 4.694 -1.741 -0.443
200 2H23 TOT 1 2H20 TOT 3 5.352 -3.188 -1.273
201 1H24 TOT 1 1H21 TOT 3 6.783 -3.719 0.545
202 2H24 TOT 1 2H21 TOT 3 6.030 -2.623 1.644
203 1H26 TOT 1 1H23 TOT 3 7.666 0.412 0.288
204 2H26 TOT 1 2H23 TOT 3 6.109 -0.101 -0.327
205 1H27 TOT 1 1H24 TOT 4 5.359 -0.568 2.009
206 2H27 TOT 1 2H24 TOT 4 6.960 -0.063 2.597
207 1H28 TOT 1 1H31 TOT 3 8.502 -2.782 -1.071
208 2H28 TOT 1 2H31 TOT 3 7.187 -1.799 -1.741
209 3H28 TOT 1 3H31 TOT 3 8.682 -1.038 -1.200
210 1H29 TOT 1 1H32 TOT 3 8.116 -1.886 2.359
211 2H29 TOT 1 2H32 TOT 3 8.961 -2.848 1.162
212 3H29 TOT 1 3H32 TOT 3 9.233 -1.104 1.228
213 H31 TOT 1 H1 TOT 7 -1.340 4.593 -6.274
214 H32 TOT 1 H2 TOT 7 -3.271 5.002 -7.744
215 H33 TOT 1 H3 TOT 7 -5.477 5.602 -6.747
216 H34 TOT 1 H4 TOT 7 -5.743 5.694 -4.313
217 1H36 TOT 1 1H6 TOT 7 -5.084 6.353 -1.282
218 2H36 TOT 1 2H6 TOT 7 -5.720 4.978 -2.196
219 3H36 TOT 1 3H6 TOT 7 -4.738 4.677 -0.780
220 H38 TOT 1 H8 TOT 7 -2.938 5.716 -0.051
221 H43 TOT 1 H13 TOT 6 1.420 6.641 3.942
222 H44 TOT 1 H14 TOT 6 -0.569 7.144 5.203
223 H45 TOT 1 H15 TOT 6 -2.793 6.471 4.324
224 H46 TOT 1 H16 TOT 6 -3.027 5.860 1.961
225 H49 TOT 1 H9 TOT 6 0.462 4.693 -1.432
226 H50 TOT 1 H10 TOT 6 2.437 4.454 -0.046
227 1H52 TOT 1 1H19 TOT 5 2.718 5.125 3.496
228 2H52 TOT 1 2H19 TOT 5 3.435 5.581 1.973
229 1H53 TOT 1 1H20 TOT 5 2.646 2.810 2.842
230 2H53 TOT 1 2H20 TOT 5 3.426 3.153 1.289
231 1H54 TOT 1 1H21 TOT 5 5.407 4.105 2.509
232 2H54 TOT 1 2H21 TOT 5 4.540 3.807 3.996
233 1H56 TOT 1 1H23 TOT 5 6.534 2.176 1.429
234 2H56 TOT 1 2H23 TOT 5 4.907 1.585 1.113
235 1H58 TOT 1 1H31 TOT 5 4.864 0.232 4.156
236 2H58 TOT 1 2H31 TOT 5 3.566 0.829 3.123
237 3H58 TOT 1 3H31 TOT 5 3.904 1.611 4.681
238 1H59 TOT 1 1H32 TOT 5 6.974 1.277 4.271
239 2H59 TOT 1 2H32 TOT 5 6.186 2.661 4.999
240 3H59 TOT 1 3H32 TOT 5 7.227 2.889 3.590
Start of MODEL 6
Raw file had 240 H/Q atoms
Start of MODEL 6
1 1H5* C 1 1H5' C 1 -10.123 -14.969 -4.102
2 2H5* C 1 2H5' C 1 -8.439 -14.582 -4.513
3 H4* C 1 H4' C 1 -9.325 -16.214 -2.096
4 H3* C 1 H3' C 1 -9.321 -13.299 -2.449
5 1H2* C 1 1H2' C 1 -7.306 -13.209 -0.539
6 2H2* C 1 2H2' C 1 -7.047 -13.038 -2.221
7 H1* C 1 H1' C 1 -6.758 -15.535 -0.530
8 1H4 C 1 1H4 C 1 -1.436 -13.017 -3.921
9 2H4 C 1 2H4 C 1 -1.008 -12.972 -2.221
10 H5 C 1 H5 C 1 -3.616 -13.881 -4.706
11 H6 C 1 H6 C 1 -5.745 -14.728 -4.002
12 H5* C 1 H5' C 1 -9.212 -16.454 -5.577
13 1H5* G 2 1H5' G 2 -7.546 -14.317 1.193
14 2H5* G 2 2H5' G 2 -8.912 -14.318 2.231
15 H4* G 2 H4' G 2 -7.201 -13.803 3.716
16 H3* G 2 H3' G 2 -8.903 -11.580 3.301
17 1H2* G 2 1H2' G 2 -6.959 -9.755 3.114
18 2H2* G 2 2H2' G 2 -7.408 -10.620 1.654
19 H1* G 2 H1' G 2 -5.140 -11.413 3.575
20 H8 G 2 H8 G 2 -6.066 -10.792 -0.254
21 H1 G 2 H1 G 2 0.229 -10.830 0.958
22 1H2 G 2 1H2 G 2 -0.723 -11.158 4.311
23 2H2 G 2 2H2 G 2 0.587 -10.884 3.182
24 1H5* C 3 1H5' C 3 -5.104 -11.079 5.819
25 2H5* C 3 2H5' C 3 -5.434 -10.198 7.344
26 H4* C 3 H4' C 3 -3.221 -9.660 6.595
27 H3* C 3 H3' C 3 -5.251 -7.443 6.255
28 1H2* C 3 1H2' C 3 -2.775 -6.394 5.041
29 2H2* C 3 2H2' C 3 -4.358 -6.630 4.441
30 H1* C 3 H1' C 3 -1.920 -8.559 4.767
31 1H4 C 3 1H4 C 3 -3.545 -7.355 -1.662
32 2H4 C 3 2H4 C 3 -1.792 -7.350 -1.517
33 H5 C 3 H5 C 3 -5.050 -7.546 0.558
34 H6 C 3 H6 C 3 -4.957 -8.328 2.630
35 1H5* T 4 1H5' T 4 -3.204 -3.318 8.886
36 2H5* T 4 2H5' T 4 -4.393 -3.100 7.590
37 H4* T 4 H4' T 4 -1.374 -2.817 7.242
38 H3* T 4 H3' T 4 -3.503 -0.891 8.160
39 1H2* T 4 1H2' T 4 -1.895 0.657 6.317
40 2H2* T 4 2H2' T 4 -3.618 0.242 6.214
41 H1* T 4 H1' T 4 -1.185 -1.245 5.130
42 H3 T 4 H3 T 4 -2.407 -0.465 0.810
43 1H5M T 4 1H5M T 4 -6.965 0.081 2.689
44 2H5M T 4 2H5M T 4 -6.909 -1.505 1.892
45 3H5M T 4 3H5M T 4 -6.940 -1.406 3.661
46 H6 T 4 H6 T 4 -4.919 -1.176 4.829
47 1H5* A 5 1H5' A 5 1.006 0.405 7.529
48 2H5* A 5 2H5' A 5 1.408 1.467 8.926
49 H4* A 5 H4' A 5 2.690 2.012 7.019
50 H3* A 5 H3' A 5 1.089 3.803 8.592
51 1H2* A 5 1H2' A 5 0.172 5.112 6.611
52 2H2* A 5 2H2' A 5 -0.706 3.721 7.139
53 H1* A 5 H1' A 5 1.244 3.933 4.706
54 H8 A 5 H8 A 5 -2.441 3.411 5.842
55 1H6 A 5 1H6 A 5 -3.566 2.226 -0.101
56 2H6 A 5 2H6 A 5 -4.274 2.657 1.446
57 H2 A 5 H2 A 5 0.827 1.802 0.566
58 1H5* G 6 1H5' G 6 3.009 6.726 6.207
59 2H5* G 6 2H5' G 6 3.929 5.336 5.500
60 H4* G 6 H4' G 6 5.530 6.567 4.607
61 H3* G 6 H3' G 6 5.460 8.220 6.817
62 1H2* G 6 1H2' G 6 4.109 10.351 5.823
63 2H2* G 6 2H2' G 6 3.242 8.914 6.464
64 H1* G 6 H1' G 6 4.192 9.356 3.529
65 H8 G 6 H8 G 6 1.142 9.853 5.715
66 H1 G 6 H1 G 6 -0.288 8.470 -0.384
67 1H2 G 6 1H2 G 6 3.116 7.630 -0.613
68 2H2 G 6 2H2 G 6 1.585 7.758 -1.456
69 1H5* C 7 1H5' C 7 6.378 7.596 2.610
70 2H5* C 7 2H5' C 7 7.993 7.605 1.884
71 H4* C 7 H4' C 7 6.522 8.257 0.180
72 H3* C 7 H3' C 7 8.358 10.314 1.086
73 1H2* C 7 1H2' C 7 6.514 12.297 0.589
74 2H2* C 7 2H2' C 7 6.541 11.469 2.140
75 H1* C 7 H1' C 7 5.061 10.466 -0.359
76 1H4 C 7 1H4 C 7 0.050 13.192 3.190
77 2H4 C 7 2H4 C 7 -0.595 12.629 1.660
78 H5 C 7 H5 C 7 2.480 13.013 3.737
79 H6 C 7 H6 C 7 4.573 12.176 2.998
80 1H5* G 8 1H5' G 8 5.895 12.119 -1.552
81 2H5* G 8 2H5' G 8 5.452 11.274 -3.054
82 H4* G 8 H4' G 8 5.619 13.185 -4.365
83 H3* G 8 H3' G 8 6.507 14.488 -1.723
84 1H2* G 8 1H2' G 8 5.043 16.165 -3.746
85 2H2* G 8 2H2' G 8 4.889 16.143 -1.967
86 H1* G 8 H1' G 8 3.406 14.458 -4.029
87 H8 G 8 H8 G 8 3.934 14.511 -0.165
88 H1 G 8 H1 G 8 -2.153 15.653 -1.872
89 1H2 G 8 1H2 G 8 -0.908 15.517 -5.151
90 2H2 G 8 2H2 G 8 -2.307 15.758 -4.128
91 H3T G 8 HO3 G 8 6.942 15.122 -4.474
92 1H5* C 1 1H5' C 1 -10.917 17.053 -3.015
93 2H5* C 1 2H5' C 1 -9.750 17.210 -1.685
94 H4* C 1 H4' C 1 -9.188 17.891 -4.602
95 H3* C 1 H3' C 1 -9.227 15.265 -3.312
96 1H2* C 1 1H2' C 1 -6.479 15.130 -3.715
97 2H2* C 1 2H2' C 1 -7.211 15.525 -2.210
98 H1* C 1 H1' C 1 -6.200 17.476 -4.319
99 1H4 C 1 1H4 C 1 -3.262 17.734 1.774
100 2H4 C 1 2H4 C 1 -2.033 17.170 0.660
101 H5 C 1 H5 C 1 -5.628 18.013 1.084
102 H6 C 1 H6 C 1 -7.145 17.906 -0.786
103 H5* C 1 H5' C 1 -11.089 19.048 -1.919
104 1H5* G 2 1H5' G 2 -5.632 15.724 -5.586
105 2H5* G 2 2H5' G 2 -6.409 15.439 -7.104
106 H4* G 2 H4' G 2 -4.105 15.017 -7.478
107 H3* G 2 H3' G 2 -5.785 12.832 -7.921
108 1H2* G 2 1H2' G 2 -4.343 11.005 -6.629
109 2H2* G 2 2H2' G 2 -5.466 11.954 -5.688
110 H1* G 2 H1' G 2 -2.475 12.549 -6.062
111 H8 G 2 H8 G 2 -5.446 12.585 -3.423
112 H1 G 2 H1 G 2 0.381 11.780 -0.844
113 1H2 G 2 1H2 G 2 1.537 12.006 -4.145
114 2H2 G 2 2H2 G 2 1.946 11.716 -2.467
115 1H5* C 3 1H5' C 3 -1.223 11.997 -7.870
116 2H5* C 3 2H5' C 3 -0.717 10.978 -9.253
117 H4* C 3 H4' C 3 0.612 10.444 -7.309
118 H3* C 3 H3' C 3 -1.393 8.338 -8.130
119 1H2* C 3 1H2' C 3 -0.123 7.334 -5.642
120 2H2* C 3 2H2' C 3 -1.758 7.603 -6.085
121 H1* C 3 H1' C 3 0.510 9.472 -5.016
122 1H4 C 3 1H4 C 3 -4.661 8.667 -0.773
123 2H4 C 3 2H4 C 3 -3.183 8.524 0.163
124 H5 C 3 H5 C 3 -4.539 8.785 -3.429
125 H6 C 3 H6 C 3 -3.207 9.450 -5.064
126 1H5* T 4 1H5' T 4 2.275 4.129 -8.770
127 2H5* T 4 2H5' T 4 0.601 3.731 -8.333
128 H4* T 4 H4' T 4 2.946 3.833 -6.384
129 H3* T 4 H3' T 4 1.667 1.653 -8.046
130 1H2* T 4 1H2' T 4 2.335 0.450 -5.490
131 2H2* T 4 2H2' T 4 0.753 0.581 -6.298
132 H1* T 4 H1' T 4 2.100 2.488 -4.330
133 H3 T 4 H3 T 4 -1.182 2.104 -1.183
134 1H5M T 4 1H5M T 4 -4.461 2.351 -4.565
135 2H5M T 4 2H5M T 4 -3.554 2.027 -6.051
136 3H5M T 4 3H5M T 4 -4.022 0.682 -4.988
137 H6 T 4 H6 T 4 -1.211 1.822 -5.966
138 1H5* A 5 1H5' A 5 5.087 -0.041 -5.425
139 2H5* A 5 2H5' A 5 6.009 -1.285 -6.365
140 H4* A 5 H4' A 5 5.723 -2.125 -4.215
141 H3* A 5 H3' A 5 4.472 -3.328 -6.417
142 1H2* A 5 1H2' A 5 2.666 -2.111 -5.533
143 2H2* A 5 2H2' A 5 2.022 -3.532 -5.317
144 H1* A 5 H1' A 5 2.919 -2.521 -2.758
145 H8 A 5 H8 A 5 0.264 -1.857 -5.507
146 1H6 A 5 1H6 A 5 -3.332 -0.843 -0.757
147 2H6 A 5 2H6 A 5 -3.178 -1.113 -2.475
148 H2 A 5 H2 A 5 0.918 -0.656 0.772
149 1H5* G 6 1H5' G 6 6.206 -4.492 -3.050
150 2H5* G 6 2H5' G 6 7.880 -4.892 -3.439
151 H4* G 6 H4' G 6 7.547 -4.775 -1.152
152 H3* G 6 H3' G 6 8.754 -6.612 -2.485
153 1H2* G 6 1H2' G 6 7.622 -8.936 -1.331
154 2H2* G 6 2H2' G 6 7.148 -8.243 -2.806
155 H1* G 6 H1' G 6 6.118 -7.630 0.020
156 H8 G 6 H8 G 6 4.961 -8.101 -3.641
157 H1 G 6 H1 G 6 0.176 -7.538 0.568
158 1H2 G 6 1H2 G 6 2.745 -6.499 2.726
159 2H2 G 6 2H2 G 6 1.024 -6.762 2.528
160 1H5* C 7 1H5' C 7 7.410 -6.398 1.875
161 2H5* C 7 2H5' C 7 8.545 -7.004 3.094
162 H4* C 7 H4' C 7 6.258 -7.129 3.882
163 H3* C 7 H3' C 7 8.072 -9.319 3.994
164 1H2* C 7 1H2' C 7 6.208 -11.188 3.266
165 2H2* C 7 2H2' C 7 7.069 -10.273 2.054
166 H1* C 7 H1' C 7 4.484 -9.367 3.476
167 1H4 C 7 1H4 C 7 2.270 -11.783 -2.393
168 2H4 C 7 2H4 C 7 0.876 -11.514 -1.367
169 H5 C 7 H5 C 7 4.598 -11.317 -1.621
170 H6 C 7 H6 C 7 5.902 -10.548 0.170
171 1H5* G 8 1H5' G 8 4.513 -11.144 4.788
172 2H5* G 8 2H5' G 8 3.288 -10.385 5.832
173 H4* G 8 H4' G 8 2.753 -12.308 6.958
174 H3* G 8 H3' G 8 5.045 -13.547 5.332
175 1H2* G 8 1H2' G 8 2.713 -15.289 6.087
176 2H2* G 8 2H2' G 8 3.631 -15.233 4.559
177 H1* G 8 H1' G 8 1.164 -13.635 5.365
178 H8 G 8 H8 G 8 3.889 -13.575 2.568
179 H1 G 8 H1 G 8 -2.050 -14.272 0.246
180 1H2 G 8 1H2 G 8 -3.009 -14.472 3.612
181 2H2 G 8 2H2 G 8 -3.523 -14.482 1.938
182 H3T G 8 HO3 G 8 3.780 -14.227 7.798
183 H1 TOT 1 H1 TOT 1 -4.408 -3.947 4.767
184 H2 TOT 1 H2 TOT 1 -6.817 -4.396 4.849
185 H3 TOT 1 H3 TOT 1 -8.088 -4.713 2.729
186 H4 TOT 1 H4 TOT 1 -6.939 -4.597 0.574
187 1H6 TOT 1 1H6 TOT 1 -5.739 -4.064 -1.156
188 2H6 TOT 1 2H6 TOT 1 -4.412 -5.134 -1.635
189 3H6 TOT 1 3H6 TOT 1 -4.214 -3.361 -1.655
190 H8 TOT 1 H8 TOT 1 -2.160 -4.221 -1.374
191 H13 TOT 1 H13 TOT 2 3.765 -4.887 -2.502
192 H14 TOT 1 H14 TOT 2 2.781 -6.092 -4.225
193 H15 TOT 1 H15 TOT 2 0.278 -6.153 -4.516
194 H16 TOT 1 H16 TOT 2 -1.162 -5.373 -2.741
195 H19 TOT 1 H9 TOT 2 -0.139 -3.816 1.840
196 H20 TOT 1 H10 TOT 2 2.210 -3.471 1.785
197 1H22 TOT 1 1H19 TOT 3 3.800 -2.756 0.871
198 2H22 TOT 1 2H19 TOT 3 4.233 -4.323 0.331
199 1H23 TOT 1 1H20 TOT 3 4.174 -1.622 -1.119
200 2H23 TOT 1 2H20 TOT 3 4.926 -3.073 -1.845
201 1H24 TOT 1 1H21 TOT 3 6.528 -3.242 -0.100
202 2H24 TOT 1 2H21 TOT 3 5.758 -2.115 0.943
203 1H26 TOT 1 1H23 TOT 3 6.862 0.919 -0.744
204 2H26 TOT 1 2H23 TOT 3 5.280 0.199 -0.494
205 1H27 TOT 1 1H24 TOT 4 6.071 -0.283 1.940
206 2H27 TOT 1 2H24 TOT 4 7.478 0.728 1.540
207 1H28 TOT 1 1H31 TOT 3 6.101 -0.882 -2.497
208 2H28 TOT 1 2H31 TOT 3 7.824 -0.556 -2.357
209 3H28 TOT 1 3H31 TOT 3 7.260 -2.233 -2.376
210 1H29 TOT 1 1H32 TOT 3 8.683 -2.289 -0.368
211 2H29 TOT 1 2H32 TOT 3 8.867 -0.539 -0.196
212 3H29 TOT 1 3H32 TOT 3 8.156 -1.497 1.116
213 H31 TOT 1 H1 TOT 7 -1.139 4.626 -6.174
214 H32 TOT 1 H2 TOT 7 -3.018 5.039 -7.701
215 H33 TOT 1 H3 TOT 7 -5.266 5.582 -6.772
216 H34 TOT 1 H4 TOT 7 -5.597 5.716 -4.345
217 1H36 TOT 1 1H6 TOT 7 -4.688 4.778 -0.768
218 2H36 TOT 1 2H6 TOT 7 -5.005 6.449 -1.307
219 3H36 TOT 1 3H6 TOT 7 -5.629 5.065 -2.215
220 H38 TOT 1 H8 TOT 7 -2.890 5.781 0.008
221 H43 TOT 1 H13 TOT 6 1.365 6.625 4.108
222 H44 TOT 1 H14 TOT 6 -0.660 7.067 5.348
223 H45 TOT 1 H15 TOT 6 -2.855 6.348 4.419
224 H46 TOT 1 H16 TOT 6 -3.032 5.772 2.036
225 H49 TOT 1 H9 TOT 6 0.530 4.717 -1.299
226 H50 TOT 1 H10 TOT 6 2.497 4.571 0.100
227 1H52 TOT 1 1H19 TOT 5 2.718 5.184 3.667
228 2H52 TOT 1 2H19 TOT 5 3.406 5.714 2.154
229 1H53 TOT 1 1H20 TOT 5 2.783 2.897 3.054
230 2H53 TOT 1 2H20 TOT 5 3.401 3.260 1.438
231 1H54 TOT 1 1H21 TOT 5 5.441 4.309 2.491
232 2H54 TOT 1 2H21 TOT 5 4.764 3.905 4.050
233 1H56 TOT 1 1H23 TOT 5 5.967 2.578 0.928
234 2H56 TOT 1 2H23 TOT 5 4.577 1.524 1.218
235 1H58 TOT 1 1H31 TOT 5 5.385 0.364 3.979
236 2H58 TOT 1 2H31 TOT 5 3.842 0.975 3.389
237 3H58 TOT 1 3H31 TOT 5 4.600 1.699 4.816
238 1H59 TOT 1 1H32 TOT 5 6.818 2.901 4.520
239 2H59 TOT 1 2H32 TOT 5 7.464 3.096 2.885
240 3H59 TOT 1 3H32 TOT 5 7.405 1.495 3.643
Start of MODEL 7
Raw file had 240 H/Q atoms
Start of MODEL 7
1 1H5* C 1 1H5' C 1 -9.843 -15.280 -4.250
2 2H5* C 1 2H5' C 1 -8.149 -14.858 -4.581
3 H4* C 1 H4' C 1 -9.126 -16.434 -2.162
4 H3* C 1 H3' C 1 -9.165 -13.537 -2.623
5 1H2* C 1 1H2' C 1 -7.256 -13.338 -0.600
6 2H2* C 1 2H2' C 1 -6.918 -13.205 -2.270
7 H1* C 1 H1' C 1 -6.640 -15.645 -0.497
8 1H4 C 1 1H4 C 1 -1.248 -13.111 -3.762
9 2H4 C 1 2H4 C 1 -0.878 -13.021 -2.051
10 H5 C 1 H5 C 1 -3.378 -14.041 -4.599
11 H6 C 1 H6 C 1 -5.514 -14.913 -3.951
12 H5* C 1 H5' C 1 -9.206 -17.476 -4.267
13 1H5* G 2 1H5' G 2 -7.605 -14.426 1.129
14 2H5* G 2 2H5' G 2 -9.016 -14.400 2.105
15 H4* G 2 H4' G 2 -7.350 -13.850 3.636
16 H3* G 2 H3' G 2 -9.069 -11.659 3.123
17 1H2* G 2 1H2' G 2 -7.143 -9.810 2.986
18 2H2* G 2 2H2' G 2 -7.529 -10.697 1.523
19 H1* G 2 H1' G 2 -5.322 -11.444 3.531
20 H8 G 2 H8 G 2 -6.117 -10.864 -0.334
21 H1 G 2 H1 G 2 0.132 -10.846 1.099
22 1H2 G 2 1H2 G 2 -0.933 -11.177 4.418
23 2H2 G 2 2H2 G 2 0.412 -10.894 3.332
24 1H5* C 3 1H5' C 3 -5.372 -11.088 5.771
25 2H5* C 3 2H5' C 3 -5.748 -10.179 7.268
26 H4* C 3 H4' C 3 -3.511 -9.654 6.549
27 H3* C 3 H3' C 3 -5.543 -7.450 6.149
28 1H2* C 3 1H2' C 3 -3.020 -6.421 4.988
29 2H2* C 3 2H2' C 3 -4.596 -6.631 4.353
30 H1* C 3 H1' C 3 -2.185 -8.582 4.737
31 1H4 C 3 1H4 C 3 -3.679 -7.367 -1.722
32 2H4 C 3 2H4 C 3 -1.929 -7.369 -1.555
33 H5 C 3 H5 C 3 -5.223 -7.563 0.467
34 H6 C 3 H6 C 3 -5.177 -8.331 2.536
35 1H5* T 4 1H5' T 4 -3.256 -3.345 8.821
36 2H5* T 4 2H5' T 4 -4.465 -3.016 7.566
37 H4* T 4 H4' T 4 -1.450 -2.968 7.112
38 H3* T 4 H3' T 4 -3.325 -0.902 8.209
39 1H2* T 4 1H2' T 4 -1.887 0.621 6.245
40 2H2* T 4 2H2' T 4 -3.611 0.192 6.241
41 H1* T 4 H1' T 4 -1.253 -1.347 5.039
42 H3 T 4 H3 T 4 -2.496 -0.385 0.776
43 1H5M T 4 1H5M T 4 -7.021 -1.324 3.642
44 2H5M T 4 2H5M T 4 -7.041 0.145 2.644
45 3H5M T 4 3H5M T 4 -6.992 -1.454 1.875
46 H6 T 4 H6 T 4 -4.994 -1.144 4.790
47 1H5* A 5 1H5' A 5 1.277 0.240 7.236
48 2H5* A 5 2H5' A 5 1.751 1.285 8.624
49 H4* A 5 H4' A 5 2.942 1.855 6.673
50 H3* A 5 H3' A 5 1.407 3.639 8.326
51 1H2* A 5 1H2' A 5 0.392 4.957 6.424
52 2H2* A 5 2H2' A 5 -0.441 3.536 6.937
53 H1* A 5 H1' A 5 1.450 3.817 4.469
54 H8 A 5 H8 A 5 -2.213 3.382 5.649
55 1H6 A 5 1H6 A 5 -3.436 2.222 -0.298
56 2H6 A 5 2H6 A 5 -4.119 2.680 1.252
57 H2 A 5 H2 A 5 0.951 1.680 0.340
58 1H5* G 6 1H5' G 6 3.259 6.629 5.996
59 2H5* G 6 2H5' G 6 4.222 5.309 5.200
60 H4* G 6 H4' G 6 5.780 6.641 4.390
61 H3* G 6 H3' G 6 5.654 8.165 6.690
62 1H2* G 6 1H2' G 6 4.245 10.315 5.785
63 2H2* G 6 2H2' G 6 3.422 8.823 6.370
64 H1* G 6 H1' G 6 4.347 9.465 3.471
65 H8 G 6 H8 G 6 1.291 9.721 5.672
66 H1 G 6 H1 G 6 -0.145 8.457 -0.447
67 1H2 G 6 1H2 G 6 3.273 7.690 -0.715
68 2H2 G 6 2H2 G 6 1.730 7.786 -1.539
69 1H5* C 7 1H5' C 7 6.600 7.778 2.466
70 2H5* C 7 2H5' C 7 8.209 7.891 1.736
71 H4* C 7 H4' C 7 6.694 8.558 0.076
72 H3* C 7 H3' C 7 8.456 10.647 1.066
73 1H2* C 7 1H2' C 7 6.536 12.569 0.608
74 2H2* C 7 2H2' C 7 6.600 11.711 2.144
75 H1* C 7 H1' C 7 5.152 10.713 -0.374
76 1H4 C 7 1H4 C 7 0.048 13.146 3.255
77 2H4 C 7 2H4 C 7 -0.581 12.585 1.717
78 H5 C 7 H5 C 7 2.483 13.040 3.795
79 H6 C 7 H6 C 7 4.604 12.302 3.038
80 1H5* G 8 1H5' G 8 5.932 12.414 -1.538
81 2H5* G 8 2H5' G 8 5.539 11.570 -3.055
82 H4* G 8 H4' G 8 5.601 13.508 -4.334
83 H3* G 8 H3' G 8 6.430 14.815 -1.675
84 1H2* G 8 1H2' G 8 4.873 16.443 -3.668
85 2H2* G 8 2H2' G 8 4.726 16.386 -1.888
86 H1* G 8 H1' G 8 3.324 14.658 -3.972
87 H8 G 8 H8 G 8 3.865 14.677 -0.110
88 H1 G 8 H1 G 8 -2.271 15.588 -1.771
89 1H2 G 8 1H2 G 8 -1.039 15.556 -5.058
90 2H2 G 8 2H2 G 8 -2.440 15.729 -4.024
91 H3T G 8 HO3 G 8 7.386 16.303 -3.173
92 1H5* C 1 1H5' C 1 -11.047 16.798 -2.810
93 2H5* C 1 2H5' C 1 -9.877 16.964 -1.484
94 H4* C 1 H4' C 1 -9.355 17.722 -4.390
95 H3* C 1 H3' C 1 -9.313 15.066 -3.163
96 1H2* C 1 1H2' C 1 -6.565 15.015 -3.577
97 2H2* C 1 2H2' C 1 -7.301 15.357 -2.061
98 H1* C 1 H1' C 1 -6.348 17.377 -4.131
99 1H4 C 1 1H4 C 1 -3.402 17.582 1.960
100 2H4 C 1 2H4 C 1 -2.162 17.072 0.830
101 H5 C 1 H5 C 1 -5.777 17.816 1.281
102 H6 C 1 H6 C 1 -7.296 17.710 -0.588
103 H5* C 1 H5' C 1 -9.800 19.203 -1.973
104 1H5* G 2 1H5' G 2 -5.731 15.667 -5.435
105 2H5* G 2 2H5' G 2 -6.508 15.401 -6.956
106 H4* G 2 H4' G 2 -4.199 15.032 -7.353
107 H3* G 2 H3' G 2 -5.838 12.821 -7.826
108 1H2* G 2 1H2' G 2 -4.350 11.000 -6.578
109 2H2* G 2 2H2' G 2 -5.484 11.910 -5.613
110 H1* G 2 H1' G 2 -2.508 12.574 -5.999
111 H8 G 2 H8 G 2 -5.458 12.496 -3.336
112 H1 G 2 H1 G 2 0.404 11.791 -0.805
113 1H2 G 2 1H2 G 2 1.534 12.090 -4.111
114 2H2 G 2 2H2 G 2 1.960 11.792 -2.438
115 1H5* C 3 1H5' C 3 -1.261 12.067 -7.824
116 2H5* C 3 2H5' C 3 -0.749 11.086 -9.232
117 H4* C 3 H4' C 3 0.606 10.531 -7.316
118 H3* C 3 H3' C 3 -1.379 8.410 -8.149
119 1H2* C 3 1H2' C 3 -0.069 7.381 -5.697
120 2H2* C 3 2H2' C 3 -1.711 7.640 -6.113
121 H1* C 3 H1' C 3 0.546 9.518 -5.038
122 1H4 C 3 1H4 C 3 -4.564 8.563 -0.751
123 2H4 C 3 2H4 C 3 -3.071 8.426 0.164
124 H5 C 3 H5 C 3 -4.474 8.732 -3.406
125 H6 C 3 H6 C 3 -3.171 9.449 -5.044
126 1H5* T 4 1H5' T 4 2.407 4.282 -8.773
127 2H5* T 4 2H5' T 4 0.730 3.823 -8.413
128 H4* T 4 H4' T 4 2.973 3.994 -6.355
129 H3* T 4 H3' T 4 1.959 1.796 -8.144
130 1H2* T 4 1H2' T 4 2.300 0.485 -5.600
131 2H2* T 4 2H2' T 4 0.800 0.732 -6.527
132 H1* T 4 H1' T 4 2.076 2.525 -4.398
133 H3 T 4 H3 T 4 -1.284 1.982 -1.372
134 1H5M T 4 1H5M T 4 -4.471 2.347 -4.836
135 2H5M T 4 2H5M T 4 -3.521 2.068 -6.305
136 3H5M T 4 3H5M T 4 -4.014 0.692 -5.294
137 H6 T 4 H6 T 4 -1.177 1.888 -6.162
138 1H5* A 5 1H5' A 5 5.144 0.141 -5.121
139 2H5* A 5 2H5' A 5 6.168 -1.065 -6.008
140 H4* A 5 H4' A 5 5.723 -1.987 -3.926
141 H3* A 5 H3' A 5 4.627 -3.095 -6.268
142 1H2* A 5 1H2' A 5 2.746 -1.932 -5.455
143 2H2* A 5 2H2' A 5 2.116 -3.378 -5.309
144 H1* A 5 H1' A 5 2.897 -2.485 -2.687
145 H8 A 5 H8 A 5 0.336 -1.674 -5.482
146 1H6 A 5 1H6 A 5 -3.424 -0.978 -0.775
147 2H6 A 5 2H6 A 5 -3.228 -1.104 -2.507
148 H2 A 5 H2 A 5 0.774 -0.922 0.881
149 1H5* G 6 1H5' G 6 6.144 -4.553 -2.867
150 2H5* G 6 2H5' G 6 7.821 -4.882 -3.310
151 H4* G 6 H4' G 6 7.568 -5.022 -1.084
152 H3* G 6 H3' G 6 8.460 -6.926 -2.754
153 1H2* G 6 1H2' G 6 7.445 -9.095 -1.242
154 2H2* G 6 2H2' G 6 6.934 -8.644 -2.766
155 H1* G 6 H1' G 6 5.916 -7.709 -0.005
156 H8 G 6 H8 G 6 4.869 -8.080 -3.678
157 H1 G 6 H1 G 6 -0.025 -7.638 0.426
158 1H2 G 6 1H2 G 6 2.526 -6.707 2.667
159 2H2 G 6 2H2 G 6 0.804 -6.919 2.433
160 1H5* C 7 1H5' C 7 6.690 -5.932 2.183
161 2H5* C 7 2H5' C 7 7.935 -6.517 3.300
162 H4* C 7 H4' C 7 5.633 -7.039 3.980
163 H3* C 7 H3' C 7 7.817 -8.907 4.051
164 1H2* C 7 1H2' C 7 6.145 -11.019 3.449
165 2H2* C 7 2H2' C 7 6.955 -10.096 2.212
166 H1* C 7 H1' C 7 4.258 -9.379 3.555
167 1H4 C 7 1H4 C 7 2.256 -11.866 -2.354
168 2H4 C 7 2H4 C 7 0.827 -11.546 -1.392
169 H5 C 7 H5 C 7 4.555 -11.501 -1.464
170 H6 C 7 H6 C 7 5.796 -10.643 0.372
171 1H5* G 8 1H5' G 8 4.472 -11.063 4.972
172 2H5* G 8 2H5' G 8 3.263 -10.294 6.033
173 H4* G 8 H4' G 8 2.730 -12.195 7.171
174 H3* G 8 H3' G 8 5.041 -13.454 5.593
175 1H2* G 8 1H2' G 8 2.705 -15.195 6.340
176 2H2* G 8 2H2' G 8 3.643 -15.155 4.822
177 H1* G 8 H1' G 8 1.155 -13.560 5.573
178 H8 G 8 H8 G 8 3.923 -13.519 2.816
179 H1 G 8 H1 G 8 -1.961 -14.323 0.394
180 1H2 G 8 1H2 G 8 -2.987 -14.488 3.740
181 2H2 G 8 2H2 G 8 -3.464 -14.529 2.055
182 H3T G 8 HO3 G 8 4.988 -14.852 7.434
183 H1 TOT 1 H1 TOT 1 -4.550 -3.914 4.716
184 H2 TOT 1 H2 TOT 1 -6.966 -4.322 4.781
185 H3 TOT 1 H3 TOT 1 -8.217 -4.689 2.656
186 H4 TOT 1 H4 TOT 1 -7.050 -4.602 0.509
187 1H6 TOT 1 1H6 TOT 1 -4.267 -3.411 -1.727
188 2H6 TOT 1 2H6 TOT 1 -5.839 -3.963 -1.194
189 3H6 TOT 1 3H6 TOT 1 -4.614 -5.162 -1.653
190 H8 TOT 1 H8 TOT 1 -2.270 -4.321 -1.414
191 H13 TOT 1 H13 TOT 2 3.659 -4.877 -2.533
192 H14 TOT 1 H14 TOT 2 2.730 -6.011 -4.302
193 H15 TOT 1 H15 TOT 2 0.212 -6.021 -4.662
194 H16 TOT 1 H16 TOT 2 -1.254 -5.313 -2.876
195 H19 TOT 1 H9 TOT 2 -0.250 -4.191 1.844
196 H20 TOT 1 H10 TOT 2 2.100 -3.755 1.809
197 1H22 TOT 1 1H19 TOT 3 3.675 -2.973 0.948
198 2H22 TOT 1 2H19 TOT 3 4.117 -4.512 0.307
199 1H23 TOT 1 1H20 TOT 3 4.105 -1.713 -0.913
200 2H23 TOT 1 2H20 TOT 3 4.812 -3.111 -1.774
201 1H24 TOT 1 1H21 TOT 3 6.417 -3.504 -0.172
202 2H24 TOT 1 2H21 TOT 3 5.692 -2.653 1.103
203 1H26 TOT 1 1H23 TOT 3 6.753 0.700 0.035
204 2H26 TOT 1 2H23 TOT 3 5.157 -0.017 -0.030
205 1H27 TOT 1 1H24 TOT 4 5.623 -0.981 2.313
206 2H27 TOT 1 2H24 TOT 4 7.075 -0.001 2.354
207 1H28 TOT 1 1H31 TOT 3 7.757 -0.446 -1.804
208 2H28 TOT 1 2H31 TOT 3 7.275 -2.121 -2.112
209 3H28 TOT 1 3H31 TOT 3 6.061 -0.818 -2.098
210 1H29 TOT 1 1H32 TOT 3 8.575 -2.488 -0.073
211 2H29 TOT 1 2H32 TOT 3 8.717 -0.785 0.382
212 3H29 TOT 1 3H32 TOT 3 7.964 -1.950 1.486
213 H31 TOT 1 H1 TOT 7 -1.113 4.697 -6.307
214 H32 TOT 1 H2 TOT 7 -3.028 5.115 -7.785
215 H33 TOT 1 H3 TOT 7 -5.266 5.598 -6.800
216 H34 TOT 1 H4 TOT 7 -5.550 5.670 -4.364
217 1H36 TOT 1 1H6 TOT 7 -4.896 6.358 -1.311
218 2H36 TOT 1 2H6 TOT 7 -5.538 5.001 -2.243
219 3H36 TOT 1 3H6 TOT 7 -4.565 4.675 -0.828
220 H38 TOT 1 H8 TOT 7 -2.758 5.675 -0.071
221 H43 TOT 1 H13 TOT 6 1.603 6.574 3.917
222 H44 TOT 1 H14 TOT 6 -0.397 6.959 5.239
223 H45 TOT 1 H15 TOT 6 -2.611 6.352 4.321
224 H46 TOT 1 H16 TOT 6 -2.844 5.797 1.945
225 H49 TOT 1 H9 TOT 6 0.644 4.639 -1.452
226 H50 TOT 1 H10 TOT 6 2.628 4.458 -0.077
227 1H52 TOT 1 1H19 TOT 5 2.908 5.030 3.448
228 2H52 TOT 1 2H19 TOT 5 3.585 5.681 1.959
229 1H53 TOT 1 1H20 TOT 5 2.982 2.778 2.131
230 2H53 TOT 1 2H20 TOT 5 4.148 3.623 1.085
231 1H54 TOT 1 1H21 TOT 5 5.296 4.331 3.302
232 2H54 TOT 1 2H21 TOT 5 4.260 3.100 4.024
233 1H56 TOT 1 1H23 TOT 5 4.411 1.217 1.647
234 2H56 TOT 1 2H23 TOT 5 4.625 0.702 3.306
235 1H58 TOT 1 1H31 TOT 5 7.485 1.502 3.859
236 2H58 TOT 1 2H31 TOT 5 6.043 1.793 4.836
237 3H58 TOT 1 3H31 TOT 5 7.059 3.142 4.327
238 1H59 TOT 1 1H32 TOT 5 6.176 2.881 0.746
239 2H59 TOT 1 2H32 TOT 5 7.577 2.205 1.586
240 3H59 TOT 1 3H32 TOT 5 7.063 3.849 1.929
Start of MODEL 8
Raw file had 240 H/Q atoms
Start of MODEL 8
1 1H5* C 1 1H5' C 1 -11.055 -13.755 -4.245
2 2H5* C 1 2H5' C 1 -9.377 -13.403 -4.711
3 H4* C 1 H4' C 1 -10.222 -15.238 -2.427
4 H3* C 1 H3' C 1 -10.107 -12.306 -2.448
5 1H2* C 1 1H2' C 1 -7.995 -12.483 -0.684
6 2H2* C 1 2H2' C 1 -7.810 -12.164 -2.356
7 H1* C 1 H1' C 1 -7.560 -14.818 -0.919
8 1H4 C 1 1H4 C 1 -2.261 -12.246 -4.307
9 2H4 C 1 2H4 C 1 -1.773 -12.379 -2.626
10 H5 C 1 H5 C 1 -4.524 -12.921 -5.071
11 H6 C 1 H6 C 1 -6.664 -13.731 -4.347
12 H5* C 1 H5' C 1 -10.600 -15.964 -4.616
13 1H5* G 2 1H5' G 2 -8.099 -13.717 0.977
14 2H5* G 2 2H5' G 2 -9.432 -13.842 2.051
15 H4* G 2 H4' G 2 -7.736 -13.439 3.573
16 H3* G 2 H3' G 2 -9.373 -11.160 3.345
17 1H2* G 2 1H2' G 2 -7.417 -9.361 3.167
18 2H2* G 2 2H2' G 2 -7.909 -10.160 1.685
19 H1* G 2 H1' G 2 -5.609 -11.045 3.532
20 H8 G 2 H8 G 2 -6.581 -10.191 -0.239
21 H1 G 2 H1 G 2 -0.266 -10.759 0.775
22 1H2 G 2 1H2 G 2 -1.160 -11.250 4.131
23 2H2 G 2 2H2 G 2 0.142 -11.061 2.975
24 1H5* C 3 1H5' C 3 -5.503 -10.739 5.787
25 2H5* C 3 2H5' C 3 -5.800 -9.902 7.345
26 H4* C 3 H4' C 3 -3.625 -9.287 6.571
27 H3* C 3 H3' C 3 -5.691 -7.100 6.171
28 1H2* C 3 1H2' C 3 -3.129 -6.109 5.041
29 2H2* C 3 2H2' C 3 -4.708 -6.225 4.409
30 H1* C 3 H1' C 3 -2.352 -8.257 4.701
31 1H4 C 3 1H4 C 3 -4.161 -6.876 -1.642
32 2H4 C 3 2H4 C 3 -2.406 -6.903 -1.582
33 H5 C 3 H5 C 3 -5.567 -7.084 0.608
34 H6 C 3 H6 C 3 -5.445 -7.919 2.648
35 1H5* T 4 1H5' T 4 -2.937 -3.177 9.085
36 2H5* T 4 2H5' T 4 -4.027 -2.584 7.813
37 H4* T 4 H4' T 4 -1.032 -2.984 7.480
38 H3* T 4 H3' T 4 -2.406 -0.809 8.832
39 1H2* T 4 1H2' T 4 -1.636 0.913 6.786
40 2H2* T 4 2H2' T 4 -3.242 0.152 6.863
41 H1* T 4 H1' T 4 -0.718 -0.973 5.528
42 H3 T 4 H3 T 4 -1.790 -0.399 1.174
43 1H5M T 4 1H5M T 4 -6.393 -0.876 2.155
44 2H5M T 4 2H5M T 4 -6.458 -0.719 3.918
45 3H5M T 4 3H5M T 4 -6.306 0.731 2.904
46 H6 T 4 H6 T 4 -4.463 -0.576 5.142
47 1H5* A 5 1H5' A 5 2.196 0.275 6.959
48 2H5* A 5 2H5' A 5 2.746 1.332 8.314
49 H4* A 5 H4' A 5 3.746 2.043 6.357
50 H3* A 5 H3' A 5 2.077 3.651 8.099
51 1H2* A 5 1H2' A 5 0.920 4.910 6.271
52 2H2* A 5 2H2' A 5 0.253 3.372 6.687
53 H1* A 5 H1' A 5 2.149 3.928 4.269
54 H8 A 5 H8 A 5 -1.492 3.403 5.335
55 1H6 A 5 1H6 A 5 -2.574 1.959 -0.581
56 2H6 A 5 2H6 A 5 -3.285 2.468 0.937
57 H2 A 5 H2 A 5 1.833 1.596 0.161
58 1H5* G 6 1H5' G 6 3.777 6.847 5.853
59 2H5* G 6 2H5' G 6 4.822 5.593 5.042
60 H4* G 6 H4' G 6 6.339 6.981 4.315
61 H3* G 6 H3' G 6 6.074 8.424 6.645
62 1H2* G 6 1H2' G 6 4.818 10.667 5.600
63 2H2* G 6 2H2' G 6 3.961 9.236 6.181
64 H1* G 6 H1' G 6 4.784 9.838 3.294
65 H8 G 6 H8 G 6 1.731 9.863 5.559
66 H1 G 6 H1 G 6 0.316 8.498 -0.536
67 1H2 G 6 1H2 G 6 3.768 7.966 -0.875
68 2H2 G 6 2H2 G 6 2.204 7.973 -1.666
69 1H5* C 7 1H5' C 7 7.192 8.968 2.448
70 2H5* C 7 2H5' C 7 8.583 10.009 2.099
71 H4* C 7 H4' C 7 7.133 9.620 0.151
72 H3* C 7 H3' C 7 8.183 12.142 0.924
73 1H2* C 7 1H2' C 7 5.873 13.525 0.425
74 2H2* C 7 2H2' C 7 6.132 12.740 1.963
75 H1* C 7 H1' C 7 4.950 11.404 -0.557
76 1H4 C 7 1H4 C 7 -0.471 13.000 3.085
77 2H4 C 7 2H4 C 7 -1.012 12.472 1.504
78 H5 C 7 H5 C 7 1.957 13.071 3.695
79 H6 C 7 H6 C 7 4.130 12.650 2.945
80 1H5* G 8 1H5' G 8 5.303 13.212 -1.709
81 2H5* G 8 2H5' G 8 5.005 12.356 -3.238
82 H4* G 8 H4' G 8 4.805 14.320 -4.475
83 H3* G 8 H3' G 8 5.420 15.660 -1.773
84 1H2* G 8 1H2' G 8 3.680 17.105 -3.756
85 2H2* G 8 2H2' G 8 3.518 16.983 -1.980
86 H1* G 8 H1' G 8 2.403 15.128 -4.126
87 H8 G 8 H8 G 8 2.863 15.129 -0.259
88 H1 G 8 H1 G 8 -3.308 15.307 -2.039
89 1H2 G 8 1H2 G 8 -2.015 15.454 -5.297
90 2H2 G 8 2H2 G 8 -3.448 15.434 -4.293
91 H3T G 8 HO3 G 8 6.183 17.302 -3.222
92 1H5* C 1 1H5' C 1 -11.876 16.447 -2.520
93 2H5* C 1 2H5' C 1 -11.879 14.699 -2.899
94 H4* C 1 H4' C 1 -10.823 16.092 -4.639
95 H3* C 1 H3' C 1 -10.134 13.529 -3.547
96 1H2* C 1 1H2' C 1 -7.533 13.915 -3.822
97 2H2* C 1 2H2' C 1 -8.316 14.290 -2.341
98 H1* C 1 H1' C 1 -7.630 16.292 -4.547
99 1H4 C 1 1H4 C 1 -4.772 17.142 1.533
100 2H4 C 1 2H4 C 1 -3.463 16.807 0.416
101 H5 C 1 H5 C 1 -7.152 16.988 0.847
102 H6 C 1 H6 C 1 -8.624 16.593 -1.030
103 H5* C 1 H5' C 1 -11.323 15.113 -0.738
104 1H5* G 2 1H5' G 2 -6.584 14.658 -5.630
105 2H5* G 2 2H5' G 2 -7.289 14.387 -7.185
106 H4* G 2 H4' G 2 -4.988 14.268 -7.605
107 H3* G 2 H3' G 2 -6.242 11.803 -7.993
108 1H2* G 2 1H2' G 2 -4.488 10.298 -6.658
109 2H2* G 2 2H2' G 2 -5.766 11.056 -5.737
110 H1* G 2 H1' G 2 -2.930 12.171 -6.150
111 H8 G 2 H8 G 2 -5.857 11.747 -3.494
112 H1 G 2 H1 G 2 0.037 11.874 -0.955
113 1H2 G 2 1H2 G 2 1.118 12.332 -4.258
114 2H2 G 2 2H2 G 2 1.581 12.092 -2.586
115 1H5* C 3 1H5' C 3 -1.575 11.810 -7.930
116 2H5* C 3 2H5' C 3 -0.942 10.894 -9.331
117 H4* C 3 H4' C 3 0.544 10.553 -7.490
118 H3* C 3 H3' C 3 -1.208 8.187 -8.152
119 1H2* C 3 1H2' C 3 0.305 7.365 -5.749
120 2H2* C 3 2H2' C 3 -1.376 7.476 -6.081
121 H1* C 3 H1' C 3 0.722 9.597 -5.159
122 1H4 C 3 1H4 C 3 -4.093 8.080 -0.685
123 2H4 C 3 2H4 C 3 -2.556 8.105 0.168
124 H5 C 3 H5 C 3 -4.131 8.294 -3.341
125 H6 C 3 H6 C 3 -2.959 9.200 -5.013
126 1H5* T 4 1H5' T 4 2.920 4.479 -8.687
127 2H5* T 4 2H5' T 4 1.302 3.833 -8.334
128 H4* T 4 H4' T 4 3.420 4.432 -6.235
129 H3* T 4 H3' T 4 3.218 2.147 -8.052
130 1H2* T 4 1H2' T 4 2.825 0.548 -5.794
131 2H2* T 4 2H2' T 4 1.514 1.097 -6.862
132 H1* T 4 H1' T 4 2.619 2.545 -4.387
133 H3 T 4 H3 T 4 -0.806 1.719 -1.532
134 1H5M T 4 1H5M T 4 -3.892 2.035 -5.105
135 2H5M T 4 2H5M T 4 -2.878 1.837 -6.544
136 3H5M T 4 3H5M T 4 -3.330 0.418 -5.576
137 H6 T 4 H6 T 4 -0.542 1.841 -6.314
138 1H5* A 5 1H5' A 5 5.605 1.166 -3.873
139 2H5* A 5 2H5' A 5 7.069 0.322 -4.534
140 H4* A 5 H4' A 5 6.718 -0.702 -2.583
141 H3* A 5 H3' A 5 6.269 -2.084 -5.025
142 1H2* A 5 1H2' A 5 4.017 -1.519 -4.505
143 2H2* A 5 2H2' A 5 3.886 -3.021 -4.628
144 H1* A 5 H1' A 5 4.002 -2.472 -1.887
145 H8 A 5 H8 A 5 1.649 -1.618 -4.799
146 1H6 A 5 1H6 A 5 -2.652 -1.017 -0.474
147 2H6 A 5 2H6 A 5 -2.297 -1.004 -2.188
148 H2 A 5 H2 A 5 1.323 -1.355 1.604
149 1H5* G 6 1H5' G 6 6.322 -5.579 -2.761
150 2H5* G 6 2H5' G 6 6.885 -4.538 -1.348
151 H4* G 6 H4' G 6 7.466 -6.143 -0.088
152 H3* G 6 H3' G 6 8.470 -7.391 -2.360
153 1H2* G 6 1H2' G 6 6.641 -9.412 -2.604
154 2H2* G 6 2H2' G 6 6.370 -7.772 -3.290
155 H1* G 6 H1' G 6 5.615 -8.755 -0.423
156 H8 G 6 H8 G 6 4.121 -8.309 -3.872
157 H1 G 6 H1 G 6 -0.222 -7.669 0.793
158 1H2 G 6 1H2 G 6 2.607 -7.696 2.904
159 2H2 G 6 2H2 G 6 0.862 -7.580 2.812
160 1H5* C 7 1H5' C 7 7.043 -7.558 1.739
161 2H5* C 7 2H5' C 7 8.053 -7.896 3.154
162 H4* C 7 H4' C 7 5.899 -8.552 3.767
163 H3* C 7 H3' C 7 7.788 -10.739 3.451
164 1H2* C 7 1H2' C 7 5.776 -12.437 2.610
165 2H2* C 7 2H2' C 7 6.654 -11.440 1.462
166 H1* C 7 H1' C 7 4.203 -10.558 3.089
167 1H4 C 7 1H4 C 7 1.502 -11.677 -2.957
168 2H4 C 7 2H4 C 7 0.209 -11.262 -1.849
169 H5 C 7 H5 C 7 3.863 -11.929 -2.190
170 H6 C 7 H6 C 7 5.342 -11.624 -0.377
171 1H5* G 8 1H5' G 8 4.202 -12.414 4.299
172 2H5* G 8 2H5' G 8 3.220 -11.593 5.536
173 H4* G 8 H4' G 8 2.411 -13.526 6.471
174 H3* G 8 H3' G 8 4.365 -14.912 4.552
175 1H2* G 8 1H2' G 8 1.798 -16.322 5.230
176 2H2* G 8 2H2' G 8 2.648 -16.216 3.664
177 H1* G 8 H1' G 8 0.532 -14.351 4.821
178 H8 G 8 H8 G 8 3.120 -14.380 1.881
179 H1 G 8 H1 G 8 -2.939 -13.772 -0.133
180 1H2 G 8 1H2 G 8 -3.784 -14.242 3.236
181 2H2 G 8 2H2 G 8 -4.358 -13.982 1.603
182 H3T G 8 HO3 G 8 4.161 -16.542 6.180
183 H1 TOT 1 H1 TOT 1 -4.245 -3.377 5.064
184 H2 TOT 1 H2 TOT 1 -6.680 -3.669 5.186
185 H3 TOT 1 H3 TOT 1 -7.997 -3.938 3.088
186 H4 TOT 1 H4 TOT 1 -6.858 -3.964 0.912
187 1H6 TOT 1 1H6 TOT 1 -4.745 -4.682 -1.233
188 2H6 TOT 1 2H6 TOT 1 -3.952 -3.092 -1.418
189 3H6 TOT 1 3H6 TOT 1 -5.575 -3.182 -0.775
190 H8 TOT 1 H8 TOT 1 -2.136 -4.257 -1.064
191 H13 TOT 1 H13 TOT 2 3.852 -5.024 -2.057
192 H14 TOT 1 H14 TOT 2 2.751 -5.603 -4.094
193 H15 TOT 1 H15 TOT 2 0.542 -4.675 -4.573
194 H16 TOT 1 H16 TOT 2 -0.958 -4.100 -2.711
195 H19 TOT 1 H9 TOT 2 -0.243 -4.894 2.163
196 H20 TOT 1 H10 TOT 2 2.140 -4.700 2.348
197 1H22 TOT 1 1H19 TOT 3 3.993 -4.475 1.860
198 2H22 TOT 1 2H19 TOT 3 4.099 -5.439 0.521
199 1H23 TOT 1 1H20 TOT 3 4.315 -2.421 0.393
200 2H23 TOT 1 2H20 TOT 3 5.167 -3.576 -0.676
201 1H24 TOT 1 1H21 TOT 3 6.642 -4.282 1.066
202 2H24 TOT 1 2H21 TOT 3 5.714 -3.472 2.304
203 1H26 TOT 1 1H23 TOT 3 5.580 -0.668 0.657
204 2H26 TOT 1 2H23 TOT 3 5.406 -1.201 2.334
205 1H27 TOT 1 1H24 TOT 4 7.400 0.032 2.986
206 2H27 TOT 1 2H24 TOT 4 7.675 0.524 1.292
207 1H28 TOT 1 1H31 TOT 3 8.220 -1.176 -0.139
208 2H28 TOT 1 2H31 TOT 3 8.231 -2.935 -0.257
209 3H28 TOT 1 3H31 TOT 3 6.845 -2.020 -0.856
210 1H29 TOT 1 1H32 TOT 3 7.580 -2.380 3.272
211 2H29 TOT 1 2H32 TOT 3 8.499 -3.347 2.112
212 3H29 TOT 1 3H32 TOT 3 8.772 -1.614 2.201
213 H31 TOT 1 H1 TOT 7 -0.673 4.651 -6.372
214 H32 TOT 1 H2 TOT 7 -2.668 4.823 -7.796
215 H33 TOT 1 H3 TOT 7 -4.906 5.164 -6.751
216 H34 TOT 1 H4 TOT 7 -5.135 5.185 -4.315
217 1H36 TOT 1 1H6 TOT 7 -5.039 4.569 -2.205
218 2H36 TOT 1 2H6 TOT 7 -3.999 4.182 -0.855
219 3H36 TOT 1 3H6 TOT 7 -4.409 5.881 -1.198
220 H38 TOT 1 H8 TOT 7 -2.250 5.295 -0.078
221 H43 TOT 1 H13 TOT 6 2.176 6.753 3.732
222 H44 TOT 1 H14 TOT 6 0.210 7.049 5.107
223 H45 TOT 1 H15 TOT 6 -2.017 6.431 4.220
224 H46 TOT 1 H16 TOT 6 -2.276 5.857 1.856
225 H49 TOT 1 H9 TOT 6 1.171 4.572 -1.549
226 H50 TOT 1 H10 TOT 6 3.202 4.551 -0.226
227 1H52 TOT 1 1H19 TOT 5 3.542 5.268 3.268
228 2H52 TOT 1 2H19 TOT 5 4.136 5.913 1.737
229 1H53 TOT 1 1H20 TOT 5 3.745 2.982 1.956
230 2H53 TOT 1 2H20 TOT 5 4.859 3.914 0.925
231 1H54 TOT 1 1H21 TOT 5 5.946 4.695 3.136
232 2H54 TOT 1 2H21 TOT 5 4.962 3.432 3.881
233 1H56 TOT 1 1H23 TOT 5 5.427 1.578 1.288
234 2H56 TOT 1 2H23 TOT 5 5.201 1.127 2.981
235 1H58 TOT 1 1H31 TOT 5 6.723 2.060 4.694
236 2H58 TOT 1 2H31 TOT 5 7.658 3.509 4.313
237 3H58 TOT 1 3H31 TOT 5 8.229 1.938 3.767
238 1H59 TOT 1 1H32 TOT 5 8.357 2.627 1.524
239 2H59 TOT 1 2H32 TOT 5 7.807 4.254 1.890
240 3H59 TOT 1 3H32 TOT 5 6.976 3.297 0.657
Start of MODEL 9
Raw file had 240 H/Q atoms
Start of MODEL 9
1 1H5* C 1 1H5' C 1 -10.148 -14.545 -4.567
2 2H5* C 1 2H5' C 1 -8.443 -14.180 -4.904
3 H4* C 1 H4' C 1 -9.450 -15.850 -2.561
4 H3* C 1 H3' C 1 -9.391 -12.929 -2.846
5 1H2* C 1 1H2' C 1 -7.454 -12.908 -0.856
6 2H2* C 1 2H2' C 1 -7.125 -12.709 -2.522
7 H1* C 1 H1' C 1 -6.937 -15.246 -0.877
8 1H4 C 1 1H4 C 1 -1.459 -12.715 -4.000
9 2H4 C 1 2H4 C 1 -1.095 -12.725 -2.284
10 H5 C 1 H5 C 1 -3.615 -13.540 -4.889
11 H6 C 1 H6 C 1 -5.778 -14.380 -4.288
12 H5* C 1 H5' C 1 -8.093 -16.443 -5.028
13 1H5* G 2 1H5' G 2 -7.785 -14.057 0.836
14 2H5* G 2 2H5' G 2 -9.189 -14.059 1.821
15 H4* G 2 H4' G 2 -7.532 -13.603 3.384
16 H3* G 2 H3' G 2 -9.170 -11.339 2.951
17 1H2* G 2 1H2' G 2 -7.188 -9.550 2.856
18 2H2* G 2 2H2' G 2 -7.600 -10.386 1.369
19 H1* G 2 H1' G 2 -5.420 -11.249 3.362
20 H8 G 2 H8 G 2 -6.180 -10.516 -0.484
21 H1 G 2 H1 G 2 0.059 -10.764 0.978
22 1H2 G 2 1H2 G 2 -1.040 -11.230 4.271
23 2H2 G 2 2H2 G 2 0.325 -10.956 3.208
24 1H5* C 3 1H5' C 3 -5.445 -10.944 5.612
25 2H5* C 3 2H5' C 3 -5.817 -10.076 7.136
26 H4* C 3 H4' C 3 -3.571 -9.556 6.484
27 H3* C 3 H3' C 3 -5.555 -7.315 6.058
28 1H2* C 3 1H2' C 3 -2.993 -6.314 4.969
29 2H2* C 3 2H2' C 3 -4.554 -6.499 4.288
30 H1* C 3 H1' C 3 -2.179 -8.485 4.709
31 1H4 C 3 1H4 C 3 -3.554 -7.096 -1.743
32 2H4 C 3 2H4 C 3 -1.807 -7.083 -1.550
33 H5 C 3 H5 C 3 -5.126 -7.362 0.398
34 H6 C 3 H6 C 3 -5.121 -8.193 2.453
35 1H5* T 4 1H5' T 4 -3.242 -3.315 8.947
36 2H5* T 4 2H5' T 4 -4.420 -2.906 7.683
37 H4* T 4 H4' T 4 -1.398 -2.904 7.307
38 H3* T 4 H3' T 4 -3.201 -0.853 8.487
39 1H2* T 4 1H2' T 4 -1.990 0.793 6.510
40 2H2* T 4 2H2' T 4 -3.658 0.188 6.497
41 H1* T 4 H1' T 4 -1.159 -1.138 5.315
42 H3 T 4 H3 T 4 -2.220 -0.284 0.987
43 1H5M T 4 1H5M T 4 -6.874 -1.153 3.657
44 2H5M T 4 2H5M T 4 -6.829 0.327 2.678
45 3H5M T 4 3H5M T 4 -6.776 -1.263 1.891
46 H6 T 4 H6 T 4 -4.897 -0.968 4.898
47 1H5* A 5 1H5' A 5 1.300 0.261 7.157
48 2H5* A 5 2H5' A 5 1.894 1.274 8.527
49 H4* A 5 H4' A 5 2.971 1.889 6.554
50 H3* A 5 H3' A 5 1.447 3.623 8.304
51 1H2* A 5 1H2' A 5 0.424 4.990 6.449
52 2H2* A 5 2H2' A 5 -0.386 3.537 6.904
53 H1* A 5 H1' A 5 1.512 3.877 4.434
54 H8 A 5 H8 A 5 -2.163 3.611 5.624
55 1H6 A 5 1H6 A 5 -3.517 2.295 -0.255
56 2H6 A 5 2H6 A 5 -4.166 2.818 1.291
57 H2 A 5 H2 A 5 0.862 1.716 0.298
58 1H5* G 6 1H5' G 6 3.464 6.555 5.906
59 2H5* G 6 2H5' G 6 4.288 5.107 5.197
60 H4* G 6 H4' G 6 5.958 6.192 4.291
61 H3* G 6 H3' G 6 6.015 7.858 6.475
62 1H2* G 6 1H2' G 6 5.076 10.166 5.254
63 2H2* G 6 2H2' G 6 4.032 8.964 6.017
64 H1* G 6 H1' G 6 4.773 9.133 3.050
65 H8 G 6 H8 G 6 1.832 9.770 5.467
66 H1 G 6 H1 G 6 0.052 8.466 -0.551
67 1H2 G 6 1H2 G 6 3.399 7.519 -1.004
68 2H2 G 6 2H2 G 6 1.824 7.734 -1.745
69 1H5* C 7 1H5' C 7 7.076 7.970 2.174
70 2H5* C 7 2H5' C 7 8.582 8.797 1.738
71 H4* C 7 H4' C 7 7.018 8.558 -0.144
72 H3* C 7 H3' C 7 8.431 10.929 0.498
73 1H2* C 7 1H2' C 7 6.301 12.606 0.093
74 2H2* C 7 2H2' C 7 6.538 11.813 1.625
75 H1* C 7 H1' C 7 5.058 10.617 -0.810
76 1H4 C 7 1H4 C 7 0.123 13.094 3.024
77 2H4 C 7 2H4 C 7 -0.568 12.625 1.484
78 H5 C 7 H5 C 7 2.571 12.826 3.513
79 H6 C 7 H6 C 7 4.599 12.022 2.697
80 1H5* G 8 1H5' G 8 5.576 12.368 -1.994
81 2H5* G 8 2H5' G 8 5.061 11.566 -3.493
82 H4* G 8 H4' G 8 5.104 13.528 -4.744
83 H3* G 8 H3' G 8 6.067 14.774 -2.100
84 1H2* G 8 1H2' G 8 4.473 16.457 -4.017
85 2H2* G 8 2H2' G 8 4.391 16.382 -2.233
86 H1* G 8 H1' G 8 2.879 14.706 -4.281
87 H8 G 8 H8 G 8 3.556 14.668 -0.447
88 H1 G 8 H1 G 8 -2.622 15.700 -1.878
89 1H2 G 8 1H2 G 8 -1.512 15.666 -5.205
90 2H2 G 8 2H2 G 8 -2.873 15.841 -4.120
91 H3T G 8 HO3 G 8 7.452 14.789 -3.962
92 1H5* C 1 1H5' C 1 -11.057 17.913 -1.984
93 2H5* C 1 2H5' C 1 -11.281 16.171 -2.323
94 H4* C 1 H4' C 1 -10.112 17.424 -4.114
95 H3* C 1 H3' C 1 -9.736 14.786 -3.027
96 1H2* C 1 1H2' C 1 -7.122 14.829 -3.455
97 2H2* C 1 2H2' C 1 -7.764 15.284 -1.931
98 H1* C 1 H1' C 1 -6.945 17.208 -4.161
99 1H4 C 1 1H4 C 1 -3.675 17.665 1.748
100 2H4 C 1 2H4 C 1 -2.479 17.182 0.562
101 H5 C 1 H5 C 1 -6.090 17.798 1.197
102 H6 C 1 H6 C 1 -7.701 17.596 -0.593
103 H5* C 1 H5' C 1 -9.579 15.711 -0.954
104 1H5* G 2 1H5' G 2 -6.204 15.461 -5.315
105 2H5* G 2 2H5' G 2 -7.017 15.276 -6.828
106 H4* G 2 H4' G 2 -4.764 14.899 -7.353
107 H3* G 2 H3' G 2 -6.319 12.607 -7.701
108 1H2* G 2 1H2' G 2 -4.698 10.887 -6.464
109 2H2* G 2 2H2' G 2 -5.833 11.775 -5.476
110 H1* G 2 H1' G 2 -2.907 12.556 -6.008
111 H8 G 2 H8 G 2 -5.745 12.446 -3.227
112 H1 G 2 H1 G 2 0.229 11.853 -0.958
113 1H2 G 2 1H2 G 2 1.206 12.189 -4.305
114 2H2 G 2 2H2 G 2 1.711 11.876 -2.657
115 1H5* C 3 1H5' C 3 -1.688 12.086 -7.856
116 2H5* C 3 2H5' C 3 -1.212 11.107 -9.276
117 H4* C 3 H4' C 3 0.286 10.622 -7.464
118 H3* C 3 H3' C 3 -1.695 8.442 -8.116
119 1H2* C 3 1H2' C 3 -0.203 7.453 -5.755
120 2H2* C 3 2H2' C 3 -1.875 7.708 -6.049
121 H1* C 3 H1' C 3 0.427 9.622 -5.157
122 1H4 C 3 1H4 C 3 -4.378 8.520 -0.555
123 2H4 C 3 2H4 C 3 -2.819 8.400 0.248
124 H5 C 3 H5 C 3 -4.473 8.753 -3.218
125 H6 C 3 H6 C 3 -3.269 9.550 -4.916
126 1H5* T 4 1H5' T 4 2.212 4.470 -8.748
127 2H5* T 4 2H5' T 4 0.593 3.886 -8.306
128 H4* T 4 H4' T 4 2.828 4.434 -6.316
129 H3* T 4 H3' T 4 2.416 2.140 -8.109
130 1H2* T 4 1H2' T 4 2.240 0.607 -5.771
131 2H2* T 4 2H2' T 4 0.847 1.114 -6.760
132 H1* T 4 H1' T 4 2.089 2.628 -4.394
133 H3 T 4 H3 T 4 -1.204 1.843 -1.364
134 1H5M T 4 1H5M T 4 -3.510 2.076 -6.266
135 2H5M T 4 2H5M T 4 -4.025 0.728 -5.230
136 3H5M T 4 3H5M T 4 -4.427 2.401 -4.786
137 H6 T 4 H6 T 4 -1.178 1.978 -6.149
138 1H5* A 5 1H5' A 5 5.149 1.052 -4.319
139 2H5* A 5 2H5' A 5 6.573 0.189 -5.032
140 H4* A 5 H4' A 5 6.170 -0.858 -3.046
141 H3* A 5 H3' A 5 5.679 -2.168 -5.487
142 1H2* A 5 1H2' A 5 3.428 -1.555 -4.927
143 2H2* A 5 2H2' A 5 3.223 -3.097 -4.930
144 H1* A 5 H1' A 5 3.545 -2.289 -2.193
145 H8 A 5 H8 A 5 1.003 -1.805 -5.056
146 1H6 A 5 1H6 A 5 -3.068 -0.915 -0.600
147 2H6 A 5 2H6 A 5 -2.779 -1.090 -2.315
148 H2 A 5 H2 A 5 1.030 -0.890 1.297
149 1H5* G 6 1H5' G 6 6.526 -4.745 -2.142
150 2H5* G 6 2H5' G 6 8.196 -5.087 -2.669
151 H4* G 6 H4' G 6 7.749 -5.604 -0.472
152 H3* G 6 H3' G 6 8.633 -7.251 -2.477
153 1H2* G 6 1H2' G 6 7.479 -9.546 -1.191
154 2H2* G 6 2H2' G 6 7.037 -8.894 -2.679
155 H1* G 6 H1' G 6 6.039 -8.171 0.181
156 H8 G 6 H8 G 6 5.032 -8.047 -3.487
157 H1 G 6 H1 G 6 0.096 -7.471 0.506
158 1H2 G 6 1H2 G 6 2.678 -6.975 2.852
159 2H2 G 6 2H2 G 6 0.951 -6.941 2.564
160 1H5* C 7 1H5' C 7 6.994 -6.598 2.463
161 2H5* C 7 2H5' C 7 8.182 -7.362 3.535
162 H4* C 7 H4' C 7 5.843 -7.732 4.190
163 H3* C 7 H3' C 7 7.864 -9.773 4.125
164 1H2* C 7 1H2' C 7 6.026 -11.701 3.395
165 2H2* C 7 2H2' C 7 6.919 -10.771 2.216
166 H1* C 7 H1' C 7 4.280 -9.935 3.597
167 1H4 C 7 1H4 C 7 2.131 -11.834 -2.476
168 2H4 C 7 2H4 C 7 0.727 -11.424 -1.511
169 H5 C 7 H5 C 7 4.442 -11.747 -1.546
170 H6 C 7 H6 C 7 5.739 -11.105 0.335
171 1H5* G 8 1H5' G 8 4.359 -11.702 4.925
172 2H5* G 8 2H5' G 8 3.229 -10.888 6.039
173 H4* G 8 H4' G 8 2.516 -12.802 7.056
174 H3* G 8 H3' G 8 4.703 -14.166 5.389
175 1H2* G 8 1H2' G 8 2.213 -15.729 6.023
176 2H2* G 8 2H2' G 8 3.156 -15.673 4.510
177 H1* G 8 H1' G 8 0.825 -13.907 5.374
178 H8 G 8 H8 G 8 3.595 -13.940 2.617
179 H1 G 8 H1 G 8 -2.327 -14.072 0.160
180 1H2 G 8 1H2 G 8 -3.377 -14.389 3.488
181 2H2 G 8 2H2 G 8 -3.847 -14.287 1.803
182 H3T G 8 HO3 G 8 3.339 -14.854 7.799
183 H1 TOT 1 H1 TOT 1 -4.410 -3.734 4.799
184 H2 TOT 1 H2 TOT 1 -6.833 -4.093 4.770
185 H3 TOT 1 H3 TOT 1 -8.013 -4.400 2.597
186 H4 TOT 1 H4 TOT 1 -6.757 -4.341 0.495
187 1H6 TOT 1 1H6 TOT 1 -3.835 -3.258 -1.662
188 2H6 TOT 1 2H6 TOT 1 -5.461 -3.584 -1.123
189 3H6 TOT 1 3H6 TOT 1 -4.402 -4.945 -1.543
190 H8 TOT 1 H8 TOT 1 -1.929 -4.184 -1.233
191 H13 TOT 1 H13 TOT 2 4.044 -4.775 -2.242
192 H14 TOT 1 H14 TOT 2 3.135 -5.807 -4.012
193 H15 TOT 1 H15 TOT 2 0.639 -5.633 -4.504
194 H16 TOT 1 H16 TOT 2 -0.854 -4.911 -2.763
195 H19 TOT 1 H9 TOT 2 -0.009 -4.117 2.072
196 H20 TOT 1 H10 TOT 2 2.356 -3.772 2.150
197 1H22 TOT 1 1H19 TOT 3 4.082 -3.133 1.423
198 2H22 TOT 1 2H19 TOT 3 4.371 -4.659 0.693
199 1H23 TOT 1 1H20 TOT 3 4.713 -1.826 -0.369
200 2H23 TOT 1 2H20 TOT 3 5.268 -3.247 -1.291
201 1H24 TOT 1 1H21 TOT 3 6.777 -3.910 0.496
202 2H24 TOT 1 2H21 TOT 3 6.162 -2.724 1.590
203 1H26 TOT 1 1H23 TOT 3 7.898 0.117 -0.027
204 2H26 TOT 1 2H23 TOT 3 6.312 -0.344 -0.612
205 1H27 TOT 1 1H24 TOT 4 5.535 -0.656 1.730
206 2H27 TOT 1 2H24 TOT 4 7.157 -0.225 2.309
207 1H28 TOT 1 1H31 TOT 3 7.221 -2.312 -1.924
208 2H28 TOT 1 2H31 TOT 3 8.759 -1.556 -1.500
209 3H28 TOT 1 3H31 TOT 3 8.486 -3.268 -1.176
210 1H29 TOT 1 1H32 TOT 3 9.418 -1.444 0.903
211 2H29 TOT 1 2H32 TOT 3 8.303 -2.035 2.145
212 3H29 TOT 1 3H32 TOT 3 9.018 -3.161 1.014
213 H31 TOT 1 H1 TOT 7 -1.279 4.773 -6.340
214 H32 TOT 1 H2 TOT 7 -3.271 5.130 -7.738
215 H33 TOT 1 H3 TOT 7 -5.446 5.711 -6.662
216 H34 TOT 1 H4 TOT 7 -5.642 5.739 -4.225
217 1H36 TOT 1 1H6 TOT 7 -4.553 4.600 -0.782
218 2H36 TOT 1 2H6 TOT 7 -4.837 6.325 -1.131
219 3H36 TOT 1 3H6 TOT 7 -5.573 5.059 -2.126
220 H38 TOT 1 H8 TOT 7 -2.718 5.580 -0.031
221 H43 TOT 1 H13 TOT 6 1.817 6.550 3.800
222 H44 TOT 1 H14 TOT 6 -0.093 7.098 5.137
223 H45 TOT 1 H15 TOT 6 -2.379 6.597 4.294
224 H46 TOT 1 H16 TOT 6 -2.702 6.055 1.926
225 H49 TOT 1 H9 TOT 6 0.642 4.657 -1.546
226 H50 TOT 1 H10 TOT 6 2.655 4.391 -0.229
227 1H52 TOT 1 1H19 TOT 5 3.049 5.006 3.320
228 2H52 TOT 1 2H19 TOT 5 3.720 5.483 1.784
229 1H53 TOT 1 1H20 TOT 5 2.953 2.715 2.670
230 2H53 TOT 1 2H20 TOT 5 3.647 3.044 1.074
231 1H54 TOT 1 1H21 TOT 5 5.705 3.979 2.145
232 2H54 TOT 1 2H21 TOT 5 4.942 3.746 3.698
233 1H56 TOT 1 1H23 TOT 5 6.826 2.011 1.093
234 2H56 TOT 1 2H23 TOT 5 5.166 1.489 0.821
235 1H58 TOT 1 1H31 TOT 5 3.886 0.739 2.917
236 2H58 TOT 1 2H31 TOT 5 4.290 1.554 4.441
237 3H58 TOT 1 3H31 TOT 5 5.222 0.159 3.912
238 1H59 TOT 1 1H32 TOT 5 7.351 1.190 3.897
239 2H59 TOT 1 2H32 TOT 5 6.588 2.572 4.656
240 3H59 TOT 1 3H32 TOT 5 7.566 2.800 3.201
Start of MODEL 10
Raw file had 240 H/Q atoms
Start of MODEL 10
1 1H5* C 1 1H5' C 1 -10.350 -14.417 -4.244
2 2H5* C 1 2H5' C 1 -8.669 -14.049 -4.685
3 H4* C 1 H4' C 1 -9.529 -15.760 -2.313
4 H3* C 1 H3' C 1 -9.479 -12.832 -2.536
5 1H2* C 1 1H2' C 1 -7.421 -12.852 -0.685
6 2H2* C 1 2H2' C 1 -7.192 -12.633 -2.367
7 H1* C 1 H1' C 1 -6.935 -15.195 -0.770
8 1H4 C 1 1H4 C 1 -1.586 -12.664 -4.108
9 2H4 C 1 2H4 C 1 -1.150 -12.692 -2.409
10 H5 C 1 H5 C 1 -3.794 -13.450 -4.910
11 H6 C 1 H6 C 1 -5.936 -14.280 -4.219
12 H5* C 1 H5' C 1 -9.509 -15.861 -5.799
13 1H5* G 2 1H5' G 2 -7.604 -14.007 1.024
14 2H5* G 2 2H5' G 2 -8.951 -14.049 2.085
15 H4* G 2 H4' G 2 -7.239 -13.576 3.575
16 H3* G 2 H3' G 2 -8.909 -11.324 3.235
17 1H2* G 2 1H2' G 2 -6.960 -9.519 3.035
18 2H2* G 2 2H2' G 2 -7.428 -10.363 1.567
19 H1* G 2 H1' G 2 -5.147 -11.191 3.457
20 H8 G 2 H8 G 2 -6.091 -10.489 -0.352
21 H1 G 2 H1 G 2 0.212 -10.664 0.823
22 1H2 G 2 1H2 G 2 -0.740 -11.073 4.173
23 2H2 G 2 2H2 G 2 0.575 -10.803 3.047
24 1H5* C 3 1H5' C 3 -5.056 -10.873 5.704
25 2H5* C 3 2H5' C 3 -5.374 -10.016 7.245
26 H4* C 3 H4' C 3 -3.168 -9.467 6.514
27 H3* C 3 H3' C 3 -5.181 -7.228 6.173
28 1H2* C 3 1H2' C 3 -2.699 -6.201 4.966
29 2H2* C 3 2H2' C 3 -4.277 -6.437 4.352
30 H1* C 3 H1' C 3 -1.842 -8.367 4.671
31 1H4 C 3 1H4 C 3 -3.599 -7.094 -1.706
32 2H4 C 3 2H4 C 3 -1.848 -6.987 -1.611
33 H5 C 3 H5 C 3 -5.026 -7.318 0.505
34 H6 C 3 H6 C 3 -4.900 -8.164 2.568
35 1H5* T 4 1H5' T 4 -3.254 -3.138 8.870
36 2H5* T 4 2H5' T 4 -4.415 -2.936 7.544
37 H4* T 4 H4' T 4 -1.394 -2.586 7.294
38 H3* T 4 H3' T 4 -3.596 -0.688 8.108
39 1H2* T 4 1H2' T 4 -1.918 0.862 6.333
40 2H2* T 4 2H2' T 4 -3.627 0.427 6.146
41 H1* T 4 H1' T 4 -1.112 -1.044 5.238
42 H3 T 4 H3 T 4 -1.981 -0.685 0.784
43 1H5M T 4 1H5M T 4 -6.746 -1.126 3.315
44 2H5M T 4 2H5M T 4 -6.611 0.368 2.363
45 3H5M T 4 3H5M T 4 -6.607 -1.212 1.552
46 H6 T 4 H6 T 4 -4.813 -0.783 4.651
47 1H5* A 5 1H5' A 5 0.867 0.517 7.610
48 2H5* A 5 2H5' A 5 1.324 1.623 8.952
49 H4* A 5 H4' A 5 2.602 1.985 6.972
50 H3* A 5 H3' A 5 1.195 3.953 8.502
51 1H2* A 5 1H2' A 5 0.281 5.223 6.492
52 2H2* A 5 2H2' A 5 -0.671 3.935 7.141
53 H1* A 5 H1' A 5 1.162 3.879 4.611
54 H8 A 5 H8 A 5 -2.490 3.572 5.976
55 1H6 A 5 1H6 A 5 -3.952 2.227 0.117
56 2H6 A 5 2H6 A 5 -4.602 2.710 1.680
57 H2 A 5 H2 A 5 0.431 1.773 0.566
58 1H5* G 6 1H5' G 6 3.139 6.648 5.938
59 2H5* G 6 2H5' G 6 4.003 5.225 5.231
60 H4* G 6 H4' G 6 5.593 6.388 4.248
61 H3* G 6 H3' G 6 5.648 8.097 6.412
62 1H2* G 6 1H2' G 6 4.292 10.226 5.432
63 2H2* G 6 2H2' G 6 3.429 8.819 6.133
64 H1* G 6 H1' G 6 4.276 9.171 3.153
65 H8 G 6 H8 G 6 1.328 9.803 5.447
66 H1 G 6 H1 G 6 -0.403 8.356 -0.558
67 1H2 G 6 1H2 G 6 2.961 7.418 -0.929
68 2H2 G 6 2H2 G 6 1.397 7.588 -1.702
69 1H5* C 7 1H5' C 7 6.365 7.362 2.174
70 2H5* C 7 2H5' C 7 7.946 7.327 1.378
71 H4* C 7 H4' C 7 6.406 7.962 -0.274
72 H3* C 7 H3' C 7 8.331 9.991 0.481
73 1H2* C 7 1H2' C 7 6.515 12.015 0.057
74 2H2* C 7 2H2' C 7 6.606 11.204 1.616
75 H1* C 7 H1' C 7 4.964 10.208 -0.785
76 1H4 C 7 1H4 C 7 0.234 13.127 2.990
77 2H4 C 7 2H4 C 7 -0.512 12.561 1.509
78 H5 C 7 H5 C 7 2.684 12.886 3.404
79 H6 C 7 H6 C 7 4.709 11.979 2.561
80 1H5* G 8 1H5' G 8 5.766 11.828 -2.044
81 2H5* G 8 2H5' G 8 5.217 10.972 -3.507
82 H4* G 8 H4' G 8 5.350 12.855 -4.855
83 H3* G 8 H3' G 8 6.434 14.181 -2.300
84 1H2* G 8 1H2' G 8 4.887 15.858 -4.260
85 2H2* G 8 2H2' G 8 4.844 15.872 -2.474
86 H1* G 8 H1' G 8 3.191 14.191 -4.407
87 H8 G 8 H8 G 8 3.966 14.295 -0.586
88 H1 G 8 H1 G 8 -2.190 15.558 -1.912
89 1H2 G 8 1H2 G 8 -1.168 15.356 -5.263
90 2H2 G 8 2H2 G 8 -2.489 15.644 -4.152
91 H3T G 8 HO3 G 8 7.407 15.540 -3.905
92 1H5* C 1 1H5' C 1 -10.989 17.174 -2.498
93 2H5* C 1 2H5' C 1 -9.738 17.303 -1.243
94 H4* C 1 H4' C 1 -9.335 17.952 -4.194
95 H3* C 1 H3' C 1 -9.371 15.337 -2.878
96 1H2* C 1 1H2' C 1 -6.657 15.121 -3.457
97 2H2* C 1 2H2' C 1 -7.282 15.546 -1.912
98 H1* C 1 H1' C 1 -6.353 17.459 -4.092
99 1H4 C 1 1H4 C 1 -3.019 17.687 1.792
100 2H4 C 1 2H4 C 1 -1.879 17.083 0.606
101 H5 C 1 H5 C 1 -5.418 18.016 1.255
102 H6 C 1 H6 C 1 -7.056 17.932 -0.511
103 H5* C 1 H5' C 1 -11.035 19.179 -1.406
104 1H5* G 2 1H5' G 2 -5.926 15.689 -5.385
105 2H5* G 2 2H5' G 2 -6.807 15.416 -6.847
106 H4* G 2 H4' G 2 -4.538 14.951 -7.362
107 H3* G 2 H3' G 2 -6.287 12.804 -7.705
108 1H2* G 2 1H2' G 2 -4.808 10.944 -6.507
109 2H2* G 2 2H2' G 2 -5.855 11.910 -5.499
110 H1* G 2 H1' G 2 -2.880 12.443 -6.040
111 H8 G 2 H8 G 2 -5.694 12.540 -3.238
112 H1 G 2 H1 G 2 0.257 11.642 -0.992
113 1H2 G 2 1H2 G 2 1.222 11.807 -4.358
114 2H2 G 2 2H2 G 2 1.722 11.524 -2.703
115 1H5* C 3 1H5' C 3 -1.751 11.892 -7.924
116 2H5* C 3 2H5' C 3 -1.337 10.859 -9.326
117 H4* C 3 H4' C 3 0.085 10.327 -7.445
118 H3* C 3 H3' C 3 -1.963 8.229 -8.179
119 1H2* C 3 1H2' C 3 -0.595 7.199 -5.755
120 2H2* C 3 2H2' C 3 -2.240 7.494 -6.122
121 H1* C 3 H1' C 3 0.097 9.337 -5.156
122 1H4 C 3 1H4 C 3 -4.864 8.571 -0.661
123 2H4 C 3 2H4 C 3 -3.338 8.418 0.196
124 H5 C 3 H5 C 3 -4.874 8.696 -3.327
125 H6 C 3 H6 C 3 -3.616 9.350 -5.023
126 1H5* T 4 1H5' T 4 1.906 4.166 -8.695
127 2H5* T 4 2H5' T 4 0.298 3.601 -8.194
128 H4* T 4 H4' T 4 2.591 4.188 -6.278
129 H3* T 4 H3' T 4 1.961 1.792 -7.948
130 1H2* T 4 1H2' T 4 2.365 0.549 -5.414
131 2H2* T 4 2H2' T 4 0.829 0.683 -6.304
132 H1* T 4 H1' T 4 2.000 2.599 -4.233
133 H3 T 4 H3 T 4 -1.162 2.003 -1.037
134 1H5M T 4 1H5M T 4 -4.076 0.479 -4.708
135 2H5M T 4 2H5M T 4 -4.491 2.175 -4.381
136 3H5M T 4 3H5M T 4 -3.615 1.750 -5.860
137 H6 T 4 H6 T 4 -1.275 1.664 -5.812
138 1H5* A 5 1H5' A 5 5.118 1.147 -4.636
139 2H5* A 5 2H5' A 5 6.583 0.410 -5.408
140 H4* A 5 H4' A 5 6.473 -0.498 -3.322
141 H3* A 5 H3' A 5 6.038 -2.093 -5.623
142 1H2* A 5 1H2' A 5 3.769 -1.728 -5.022
143 2H2* A 5 2H2' A 5 3.800 -3.244 -4.987
144 H1* A 5 H1' A 5 3.893 -2.384 -2.317
145 H8 A 5 H8 A 5 1.425 -2.146 -5.191
146 1H6 A 5 1H6 A 5 -2.771 -0.949 -0.923
147 2H6 A 5 2H6 A 5 -2.439 -1.330 -2.598
148 H2 A 5 H2 A 5 1.279 -0.572 1.033
149 1H5* G 6 1H5' G 6 6.532 -5.462 -3.085
150 2H5* G 6 2H5' G 6 7.105 -4.213 -1.869
151 H4* G 6 H4' G 6 7.920 -5.510 -0.474
152 H3* G 6 H3' G 6 8.841 -6.953 -2.641
153 1H2* G 6 1H2' G 6 7.336 -9.265 -2.234
154 2H2* G 6 2H2' G 6 6.855 -7.899 -3.278
155 H1* G 6 H1' G 6 6.138 -8.351 -0.304
156 H8 G 6 H8 G 6 4.620 -8.482 -3.806
157 H1 G 6 H1 G 6 0.277 -7.279 0.723
158 1H2 G 6 1H2 G 6 3.051 -6.671 2.784
159 2H2 G 6 2H2 G 6 1.303 -6.760 2.665
160 1H5* C 7 1H5' C 7 7.180 -6.548 2.098
161 2H5* C 7 2H5' C 7 8.353 -7.315 3.190
162 H4* C 7 H4' C 7 5.987 -7.602 3.876
163 H3* C 7 H3' C 7 7.989 -9.667 3.865
164 1H2* C 7 1H2' C 7 6.142 -11.605 3.180
165 2H2* C 7 2H2' C 7 7.048 -10.721 1.975
166 H1* C 7 H1' C 7 4.415 -9.831 3.319
167 1H4 C 7 1H4 C 7 2.219 -11.879 -2.688
168 2H4 C 7 2H4 C 7 0.838 -11.339 -1.751
169 H5 C 7 H5 C 7 4.536 -11.857 -1.745
170 H6 C 7 H6 C 7 5.859 -11.218 0.121
171 1H5* G 8 1H5' G 8 4.486 -11.551 4.704
172 2H5* G 8 2H5' G 8 3.358 -10.707 5.796
173 H4* G 8 H4' G 8 2.659 -12.618 6.865
174 H3* G 8 H3' G 8 4.824 -13.987 5.171
175 1H2* G 8 1H2' G 8 2.356 -15.554 5.873
176 2H2* G 8 2H2' G 8 3.270 -15.514 4.341
177 H1* G 8 H1' G 8 0.951 -13.744 5.228
178 H8 G 8 H8 G 8 3.664 -13.805 2.414
179 H1 G 8 H1 G 8 -2.314 -13.992 0.100
180 1H2 G 8 1H2 G 8 -3.278 -14.273 3.460
181 2H2 G 8 2H2 G 8 -3.793 -14.195 1.788
182 H3T G 8 HO3 G 8 4.936 -14.015 7.483
183 H1 TOT 1 H1 TOT 1 -4.330 -3.753 4.718
184 H2 TOT 1 H2 TOT 1 -6.740 -4.183 4.730
185 H3 TOT 1 H3 TOT 1 -7.966 -4.394 2.567
186 H4 TOT 1 H4 TOT 1 -6.741 -4.323 0.446
187 1H6 TOT 1 1H6 TOT 1 -3.882 -3.217 -1.718
188 2H6 TOT 1 2H6 TOT 1 -5.468 -3.769 -1.233
189 3H6 TOT 1 3H6 TOT 1 -4.240 -4.959 -1.672
190 H8 TOT 1 H8 TOT 1 -1.913 -4.159 -1.328
191 H13 TOT 1 H13 TOT 2 4.081 -4.941 -2.235
192 H14 TOT 1 H14 TOT 2 3.034 -5.884 -4.125
193 H15 TOT 1 H15 TOT 2 0.720 -5.301 -4.679
194 H16 TOT 1 H16 TOT 2 -0.798 -4.606 -2.920
195 H19 TOT 1 H9 TOT 2 0.021 -3.783 1.943
196 H20 TOT 1 H10 TOT 2 2.372 -3.648 2.058
197 1H22 TOT 1 1H19 TOT 3 4.114 -3.131 1.384
198 2H22 TOT 1 2H19 TOT 3 4.417 -4.652 0.692
199 1H23 TOT 1 1H20 TOT 3 4.738 -1.812 -0.384
200 2H23 TOT 1 2H20 TOT 3 5.403 -3.244 -1.229
201 1H24 TOT 1 1H21 TOT 3 6.861 -3.769 0.561
202 2H24 TOT 1 2H21 TOT 3 6.115 -2.711 1.694
203 1H26 TOT 1 1H23 TOT 3 7.652 0.393 0.415
204 2H26 TOT 1 2H23 TOT 3 6.126 -0.140 -0.256
205 1H27 TOT 1 1H24 TOT 4 5.333 -0.722 2.029
206 2H27 TOT 1 2H24 TOT 4 6.896 -0.183 2.689
207 1H28 TOT 1 1H31 TOT 3 8.678 -1.006 -1.160
208 2H28 TOT 1 2H31 TOT 3 8.542 -2.758 -1.064
209 3H28 TOT 1 3H31 TOT 3 7.195 -1.795 -1.697
210 1H29 TOT 1 1H32 TOT 3 9.276 -1.114 1.246
211 2H29 TOT 1 2H32 TOT 3 8.187 -1.914 2.391
212 3H29 TOT 1 3H32 TOT 3 9.024 -2.861 1.175
213 H31 TOT 1 H1 TOT 7 -1.484 4.434 -6.258
214 H32 TOT 1 H2 TOT 7 -3.424 4.861 -7.714
215 H33 TOT 1 H3 TOT 7 -5.608 5.515 -6.701
216 H34 TOT 1 H4 TOT 7 -5.845 5.637 -4.265
217 1H36 TOT 1 1H6 TOT 7 -4.811 4.648 -0.727
218 2H36 TOT 1 2H6 TOT 7 -5.153 6.316 -1.257
219 3H36 TOT 1 3H6 TOT 7 -5.806 4.927 -2.138
220 H38 TOT 1 H8 TOT 7 -2.991 5.679 -0.040
221 H43 TOT 1 H13 TOT 6 1.414 6.533 3.906
222 H44 TOT 1 H14 TOT 6 -0.563 7.068 5.193
223 H45 TOT 1 H15 TOT 6 -2.801 6.424 4.335
224 H46 TOT 1 H16 TOT 6 -3.065 5.818 1.974
225 H49 TOT 1 H9 TOT 6 0.396 4.613 -1.446
226 H50 TOT 1 H10 TOT 6 2.364 4.324 -0.061
227 1H52 TOT 1 1H19 TOT 5 2.645 4.945 3.468
228 2H52 TOT 1 2H19 TOT 5 3.393 5.445 1.969
229 1H53 TOT 1 1H20 TOT 5 2.525 2.613 2.409
230 2H53 TOT 1 2H20 TOT 5 3.651 3.226 1.180
231 1H54 TOT 1 1H21 TOT 5 5.214 3.939 2.945
232 2H54 TOT 1 2H21 TOT 5 4.040 3.400 4.140
233 1H56 TOT 1 1H23 TOT 5 6.433 2.092 1.677
234 2H56 TOT 1 2H23 TOT 5 4.872 1.455 1.157
235 1H58 TOT 1 1H31 TOT 5 3.309 0.608 2.884
236 2H58 TOT 1 2H31 TOT 5 3.440 1.235 4.536
237 3H58 TOT 1 3H31 TOT 5 4.458 -0.100 4.019
238 1H59 TOT 1 1H32 TOT 5 6.906 2.532 3.987
239 2H59 TOT 1 2H32 TOT 5 6.516 0.889 4.521
240 3H59 TOT 1 3H32 TOT 5 5.682 2.257 5.230
Start of MODEL 11
Raw file had 240 H/Q atoms
Start of MODEL 11
1 1H5* C 1 1H5' C 1 -11.405 -14.124 -4.068
2 2H5* C 1 2H5' C 1 -9.730 -14.416 -4.578
3 H4* C 1 H4' C 1 -10.934 -15.288 -1.917
4 H3* C 1 H3' C 1 -9.978 -12.633 -2.688
5 1H2* C 1 1H2' C 1 -7.890 -12.948 -0.888
6 2H2* C 1 2H2' C 1 -7.729 -13.163 -2.588
7 H1* C 1 H1' C 1 -8.228 -15.325 -0.506
8 1H4 C 1 1H4 C 1 -2.535 -15.765 -4.145
9 2H4 C 1 2H4 C 1 -2.042 -15.426 -2.498
10 H5 C 1 H5 C 1 -4.919 -15.723 -4.833
11 H6 C 1 H6 C 1 -7.179 -15.469 -4.034
12 H5* C 1 H5' C 1 -11.177 -16.025 -5.310
13 1H5* G 2 1H5' G 2 -8.227 -13.746 1.082
14 2H5* G 2 2H5' G 2 -9.695 -13.445 1.950
15 H4* G 2 H4' G 2 -7.982 -13.350 3.584
16 H3* G 2 H3' G 2 -9.420 -10.981 3.262
17 1H2* G 2 1H2' G 2 -7.344 -9.307 3.192
18 2H2* G 2 2H2' G 2 -7.831 -10.059 1.698
19 H1* G 2 H1' G 2 -5.623 -11.061 3.591
20 H8 G 2 H8 G 2 -6.609 -10.590 -0.235
21 H1 G 2 H1 G 2 -0.277 -10.649 0.851
22 1H2 G 2 1H2 G 2 -1.165 -11.135 4.211
23 2H2 G 2 2H2 G 2 0.133 -10.926 3.054
24 1H5* C 3 1H5' C 3 -5.572 -10.681 5.829
25 2H5* C 3 2H5' C 3 -5.873 -9.794 7.356
26 H4* C 3 H4' C 3 -3.667 -9.264 6.588
27 H3* C 3 H3' C 3 -5.676 -7.033 6.159
28 1H2* C 3 1H2' C 3 -3.072 -6.101 5.073
29 2H2* C 3 2H2' C 3 -4.641 -6.179 4.412
30 H1* C 3 H1' C 3 -2.344 -8.272 4.727
31 1H4 C 3 1H4 C 3 -4.085 -6.800 -1.619
32 2H4 C 3 2H4 C 3 -2.330 -6.833 -1.551
33 H5 C 3 H5 C 3 -5.499 -7.004 0.623
34 H6 C 3 H6 C 3 -5.403 -7.863 2.650
35 1H5* T 4 1H5' T 4 -2.880 -3.165 9.099
36 2H5* T 4 2H5' T 4 -3.948 -2.553 7.818
37 H4* T 4 H4' T 4 -0.958 -3.010 7.510
38 H3* T 4 H3' T 4 -2.282 -0.822 8.872
39 1H2* T 4 1H2' T 4 -1.550 0.911 6.830
40 2H2* T 4 2H2' T 4 -3.150 0.136 6.908
41 H1* T 4 H1' T 4 -0.621 -0.964 5.561
42 H3 T 4 H3 T 4 -1.689 -0.371 1.207
43 1H5M T 4 1H5M T 4 -6.360 -0.654 3.950
44 2H5M T 4 2H5M T 4 -6.189 0.798 2.942
45 3H5M T 4 3H5M T 4 -6.297 -0.804 2.186
46 H6 T 4 H6 T 4 -4.364 -0.550 5.173
47 1H5* A 5 1H5' A 5 2.330 0.272 6.956
48 2H5* A 5 2H5' A 5 2.869 1.327 8.317
49 H4* A 5 H4' A 5 3.862 2.062 6.367
50 H3* A 5 H3' A 5 2.173 3.641 8.115
51 1H2* A 5 1H2' A 5 1.006 4.898 6.293
52 2H2* A 5 2H2' A 5 0.355 3.350 6.699
53 H1* A 5 H1' A 5 2.249 3.941 4.287
54 H8 A 5 H8 A 5 -1.388 3.357 5.344
55 1H6 A 5 1H6 A 5 -2.438 1.979 -0.594
56 2H6 A 5 2H6 A 5 -3.160 2.455 0.929
57 H2 A 5 H2 A 5 1.971 1.664 0.153
58 1H5* G 6 1H5' G 6 3.837 6.868 5.894
59 2H5* G 6 2H5' G 6 4.899 5.634 5.074
60 H4* G 6 H4' G 6 6.393 7.048 4.353
61 H3* G 6 H3' G 6 6.110 8.477 6.690
62 1H2* G 6 1H2' G 6 4.822 10.708 5.652
63 2H2* G 6 2H2' G 6 3.986 9.266 6.233
64 H1* G 6 H1' G 6 4.792 9.884 3.344
65 H8 G 6 H8 G 6 1.743 9.851 5.620
66 H1 G 6 H1 G 6 0.348 8.527 -0.490
67 1H2 G 6 1H2 G 6 3.807 8.040 -0.830
68 2H2 G 6 2H2 G 6 2.244 8.038 -1.624
69 1H5* C 7 1H5' C 7 7.205 9.064 2.492
70 2H5* C 7 2H5' C 7 8.583 10.124 2.151
71 H4* C 7 H4' C 7 7.145 9.740 0.198
72 H3* C 7 H3' C 7 8.148 12.272 1.010
73 1H2* C 7 1H2' C 7 5.815 13.617 0.507
74 2H2* C 7 2H2' C 7 6.077 12.822 2.038
75 H1* C 7 H1' C 7 4.943 11.487 -0.506
76 1H4 C 7 1H4 C 7 -0.537 12.951 3.103
77 2H4 C 7 2H4 C 7 -1.057 12.435 1.511
78 H5 C 7 H5 C 7 1.884 13.052 3.737
79 H6 C 7 H6 C 7 4.069 12.678 3.002
80 1H5* G 8 1H5' G 8 5.267 13.320 -1.631
81 2H5* G 8 2H5' G 8 4.989 12.482 -3.173
82 H4* G 8 H4' G 8 4.775 14.460 -4.385
83 H3* G 8 H3' G 8 5.349 15.770 -1.660
84 1H2* G 8 1H2' G 8 3.608 17.221 -3.638
85 2H2* G 8 2H2' G 8 3.433 17.072 -1.865
86 H1* G 8 H1' G 8 2.361 15.233 -4.047
87 H8 G 8 H8 G 8 2.785 15.186 -0.177
88 H1 G 8 H1 G 8 -3.370 15.278 -2.015
89 1H2 G 8 1H2 G 8 -2.049 15.494 -5.259
90 2H2 G 8 2H2 G 8 -3.490 15.428 -4.269
91 H3T G 8 HO3 G 8 6.104 17.442 -3.080
92 1H5* C 1 1H5' C 1 -12.212 14.894 -3.237
93 2H5* C 1 2H5' C 1 -11.114 15.294 -1.899
94 H4* C 1 H4' C 1 -10.673 16.054 -4.819
95 H3* C 1 H3' C 1 -10.183 13.490 -3.491
96 1H2* C 1 1H2' C 1 -7.464 13.926 -3.882
97 2H2* C 1 2H2' C 1 -8.273 14.172 -2.386
98 H1* C 1 H1' C 1 -7.672 16.271 -4.509
99 1H4 C 1 1H4 C 1 -4.884 17.069 1.613
100 2H4 C 1 2H4 C 1 -3.563 16.741 0.509
101 H5 C 1 H5 C 1 -7.256 16.915 0.899
102 H6 C 1 H6 C 1 -8.708 16.529 -0.986
103 H5* C 1 H5' C 1 -12.388 17.137 -3.644
104 1H5* G 2 1H5' G 2 -6.756 14.652 -5.751
105 2H5* G 2 2H5' G 2 -7.414 14.171 -7.274
106 H4* G 2 H4' G 2 -5.063 14.243 -7.587
107 H3* G 2 H3' G 2 -6.237 11.737 -7.993
108 1H2* G 2 1H2' G 2 -4.441 10.293 -6.641
109 2H2* G 2 2H2' G 2 -5.760 10.998 -5.739
110 H1* G 2 H1' G 2 -2.970 12.234 -6.108
111 H8 G 2 H8 G 2 -5.914 11.680 -3.492
112 H1 G 2 H1 G 2 -0.047 11.898 -0.890
113 1H2 G 2 1H2 G 2 1.055 12.420 -4.176
114 2H2 G 2 2H2 G 2 1.508 12.161 -2.504
115 1H5* C 3 1H5' C 3 -1.581 11.879 -7.863
116 2H5* C 3 2H5' C 3 -0.906 11.006 -9.273
117 H4* C 3 H4' C 3 0.575 10.666 -7.435
118 H3* C 3 H3' C 3 -1.126 8.269 -8.122
119 1H2* C 3 1H2' C 3 0.391 7.458 -5.721
120 2H2* C 3 2H2' C 3 -1.290 7.541 -6.058
121 H1* C 3 H1' C 3 0.765 9.692 -5.110
122 1H4 C 3 1H4 C 3 -4.042 8.060 -0.669
123 2H4 C 3 2H4 C 3 -2.511 8.102 0.192
124 H5 C 3 H5 C 3 -4.071 8.289 -3.324
125 H6 C 3 H6 C 3 -2.908 9.227 -4.982
126 1H5* T 4 1H5' T 4 3.047 4.625 -8.667
127 2H5* T 4 2H5' T 4 1.437 3.961 -8.314
128 H4* T 4 H4' T 4 3.556 4.571 -6.218
129 H3* T 4 H3' T 4 3.393 2.303 -8.048
130 1H2* T 4 1H2' T 4 2.954 0.661 -5.837
131 2H2* T 4 2H2' T 4 1.657 1.248 -6.901
132 H1* T 4 H1' T 4 2.762 2.634 -4.391
133 H3 T 4 H3 T 4 -0.672 1.812 -1.545
134 1H5M T 4 1H5M T 4 -2.730 1.891 -6.562
135 2H5M T 4 2H5M T 4 -3.153 0.456 -5.605
136 3H5M T 4 3H5M T 4 -3.752 2.057 -5.124
137 H6 T 4 H6 T 4 -0.393 1.925 -6.327
138 1H5* A 5 1H5' A 5 5.747 1.274 -3.831
139 2H5* A 5 2H5' A 5 7.200 0.416 -4.498
140 H4* A 5 H4' A 5 6.834 -0.617 -2.557
141 H3* A 5 H3' A 5 6.372 -1.976 -5.012
142 1H2* A 5 1H2' A 5 4.128 -1.387 -4.488
143 2H2* A 5 2H2' A 5 3.983 -2.886 -4.629
144 H1* A 5 H1' A 5 4.105 -2.368 -1.880
145 H8 A 5 H8 A 5 1.759 -1.461 -4.786
146 1H6 A 5 1H6 A 5 -2.549 -0.956 -0.454
147 2H6 A 5 2H6 A 5 -2.193 -0.910 -2.167
148 H2 A 5 H2 A 5 1.425 -1.310 1.621
149 1H5* G 6 1H5' G 6 6.387 -5.497 -2.789
150 2H5* G 6 2H5' G 6 6.965 -4.485 -1.361
151 H4* G 6 H4' G 6 7.522 -6.116 -0.125
152 H3* G 6 H3' G 6 8.508 -7.349 -2.412
153 1H2* G 6 1H2' G 6 6.645 -9.341 -2.681
154 2H2* G 6 2H2' G 6 6.405 -7.689 -3.354
155 H1* G 6 H1' G 6 5.631 -8.699 -0.505
156 H8 G 6 H8 G 6 4.145 -8.171 -3.947
157 H1 G 6 H1 G 6 -0.189 -7.582 0.736
158 1H2 G 6 1H2 G 6 2.644 -7.604 2.839
159 2H2 G 6 2H2 G 6 0.899 -7.494 2.752
160 1H5* C 7 1H5' C 7 7.078 -7.544 1.696
161 2H5* C 7 2H5' C 7 8.061 -7.958 3.110
162 H4* C 7 H4' C 7 5.864 -8.541 3.664
163 H3* C 7 H3' C 7 7.694 -10.786 3.351
164 1H2* C 7 1H2' C 7 5.619 -12.406 2.503
165 2H2* C 7 2H2' C 7 6.543 -11.450 1.359
166 H1* C 7 H1' C 7 4.123 -10.440 2.959
167 1H4 C 7 1H4 C 7 1.410 -11.595 -3.075
168 2H4 C 7 2H4 C 7 0.124 -11.162 -1.966
169 H5 C 7 H5 C 7 3.774 -11.846 -2.315
170 H6 C 7 H6 C 7 5.259 -11.557 -0.501
171 1H5* G 8 1H5' G 8 4.039 -12.315 4.121
172 2H5* G 8 2H5' G 8 3.065 -11.494 5.367
173 H4* G 8 H4' G 8 2.194 -13.451 6.229
174 H3* G 8 H3' G 8 4.081 -14.788 4.204
175 1H2* G 8 1H2' G 8 1.502 -16.168 4.902
176 2H2* G 8 2H2' G 8 2.311 -16.014 3.317
177 H1* G 8 H1' G 8 0.286 -14.140 4.613
178 H8 G 8 H8 G 8 2.762 -14.105 1.593
179 H1 G 8 H1 G 8 -3.392 -13.929 -0.231
180 1H2 G 8 1H2 G 8 -4.076 -14.194 3.202
181 2H2 G 8 2H2 G 8 -4.734 -14.105 1.583
182 H3T G 8 HO3 G 8 4.352 -15.150 6.477
183 H1 TOT 1 H1 TOT 1 -4.159 -3.353 5.077
184 H2 TOT 1 H2 TOT 1 -6.602 -3.584 5.192
185 H3 TOT 1 H3 TOT 1 -7.919 -3.841 3.093
186 H4 TOT 1 H4 TOT 1 -6.778 -3.875 0.919
187 1H6 TOT 1 1H6 TOT 1 -4.661 -4.608 -1.229
188 2H6 TOT 1 2H6 TOT 1 -3.865 -3.019 -1.404
189 3H6 TOT 1 3H6 TOT 1 -5.490 -3.110 -0.765
190 H8 TOT 1 H8 TOT 1 -2.058 -4.204 -1.056
191 H13 TOT 1 H13 TOT 2 3.926 -4.915 -2.079
192 H14 TOT 1 H14 TOT 2 2.810 -5.452 -4.126
193 H15 TOT 1 H15 TOT 2 0.611 -4.504 -4.577
194 H16 TOT 1 H16 TOT 2 -0.885 -3.967 -2.698
195 H19 TOT 1 H9 TOT 2 -0.150 -4.830 2.162
196 H20 TOT 1 H10 TOT 2 2.233 -4.634 2.338
197 1H22 TOT 1 1H19 TOT 3 4.083 -4.399 1.845
198 2H22 TOT 1 2H19 TOT 3 4.186 -5.359 0.502
199 1H23 TOT 1 1H20 TOT 3 4.414 -2.342 0.387
200 2H23 TOT 1 2H20 TOT 3 5.261 -3.498 -0.687
201 1H24 TOT 1 1H21 TOT 3 6.733 -4.216 1.051
202 2H24 TOT 1 2H21 TOT 3 5.807 -3.409 2.293
203 1H26 TOT 1 1H23 TOT 3 5.688 -0.597 0.646
204 2H26 TOT 1 2H23 TOT 3 5.502 -1.132 2.320
205 1H27 TOT 1 1H24 TOT 4 7.498 0.094 2.985
206 2H27 TOT 1 2H24 TOT 4 7.781 0.590 1.294
207 1H28 TOT 1 1H31 TOT 3 8.328 -1.116 -0.137
208 2H28 TOT 1 2H31 TOT 3 8.335 -2.877 -0.253
209 3H28 TOT 1 3H31 TOT 3 6.954 -1.960 -0.859
210 1H29 TOT 1 1H32 TOT 3 7.666 -2.317 3.271
211 2H29 TOT 1 2H32 TOT 3 8.588 -3.289 2.117
212 3H29 TOT 1 3H32 TOT 3 8.867 -1.556 2.207
213 H31 TOT 1 H1 TOT 7 -0.556 4.735 -6.358
214 H32 TOT 1 H2 TOT 7 -2.549 4.880 -7.789
215 H33 TOT 1 H3 TOT 7 -4.797 5.166 -6.751
216 H34 TOT 1 H4 TOT 7 -5.035 5.171 -4.315
217 1H36 TOT 1 1H6 TOT 7 -4.936 4.555 -2.206
218 2H36 TOT 1 2H6 TOT 7 -3.894 4.166 -0.859
219 3H36 TOT 1 3H6 TOT 7 -4.326 5.862 -1.183
220 H38 TOT 1 H8 TOT 7 -2.163 5.301 -0.066
221 H43 TOT 1 H13 TOT 6 2.234 6.761 3.776
222 H44 TOT 1 H14 TOT 6 0.260 7.020 5.148
223 H45 TOT 1 H15 TOT 6 -1.956 6.384 4.247
224 H46 TOT 1 H16 TOT 6 -2.201 5.837 1.875
225 H49 TOT 1 H9 TOT 6 1.274 4.649 -1.537
226 H50 TOT 1 H10 TOT 6 3.301 4.638 -0.211
227 1H52 TOT 1 1H19 TOT 5 3.621 5.303 3.295
228 2H52 TOT 1 2H19 TOT 5 4.211 5.979 1.778
229 1H53 TOT 1 1H20 TOT 5 3.855 3.041 1.949
230 2H53 TOT 1 2H20 TOT 5 4.961 4.000 0.936
231 1H54 TOT 1 1H21 TOT 5 6.042 4.759 3.151
232 2H54 TOT 1 2H21 TOT 5 5.062 3.488 3.887
233 1H56 TOT 1 1H23 TOT 5 5.534 1.648 1.283
234 2H56 TOT 1 2H23 TOT 5 5.300 1.192 2.974
235 1H58 TOT 1 1H31 TOT 5 7.758 3.569 4.319
236 2H58 TOT 1 2H31 TOT 5 8.331 2.000 3.766
237 3H58 TOT 1 3H31 TOT 5 6.825 2.116 4.694
238 1H59 TOT 1 1H32 TOT 5 7.075 3.374 0.663
239 2H59 TOT 1 2H32 TOT 5 8.456 2.698 1.525
240 3H59 TOT 1 3H32 TOT 5 7.907 4.324 1.902
Start of MODEL 12
Raw file had 240 H/Q atoms
Start of MODEL 12
1 1H5* C 1 1H5' C 1 -11.495 -13.115 -4.200
2 2H5* C 1 2H5' C 1 -9.811 -12.874 -4.710
3 H4* C 1 H4' C 1 -10.713 -14.673 -2.421
4 H3* C 1 H3' C 1 -10.397 -11.753 -2.425
5 1H2* C 1 1H2' C 1 -8.259 -12.101 -0.714
6 2H2* C 1 2H2' C 1 -8.096 -11.773 -2.386
7 H1* C 1 H1' C 1 -7.990 -14.457 -0.989
8 1H4 C 1 1H4 C 1 -2.650 -12.092 -4.466
9 2H4 C 1 2H4 C 1 -2.124 -12.277 -2.803
10 H5 C 1 H5 C 1 -4.950 -12.667 -5.188
11 H6 C 1 H6 C 1 -7.109 -13.385 -4.426
12 H5* C 1 H5' C 1 -10.876 -14.510 -5.898
13 1H5* G 2 1H5' G 2 -8.429 -13.350 0.930
14 2H5* G 2 2H5' G 2 -9.732 -13.374 2.045
15 H4* G 2 H4' G 2 -7.954 -13.137 3.506
16 H3* G 2 H3' G 2 -9.406 -10.724 3.366
17 1H2* G 2 1H2' G 2 -7.292 -9.096 3.178
18 2H2* G 2 2H2' G 2 -7.910 -9.807 1.696
19 H1* G 2 H1' G 2 -5.638 -10.941 3.436
20 H8 G 2 H8 G 2 -6.674 -9.924 -0.282
21 H1 G 2 H1 G 2 -0.371 -10.790 0.561
22 1H2 G 2 1H2 G 2 -1.215 -11.416 3.905
23 2H2 G 2 2H2 G 2 0.071 -11.211 2.734
24 1H5* C 3 1H5' C 3 -5.437 -10.722 5.694
25 2H5* C 3 2H5' C 3 -5.661 -9.957 7.300
26 H4* C 3 H4' C 3 -3.450 -9.456 6.598
27 H3* C 3 H3' C 3 -5.348 -7.124 6.294
28 1H2* C 3 1H2' C 3 -2.808 -6.194 5.115
29 2H2* C 3 2H2' C 3 -4.395 -6.317 4.492
30 H1* C 3 H1' C 3 -2.074 -8.392 4.779
31 1H4 C 3 1H4 C 3 -3.712 -6.868 -1.580
32 2H4 C 3 2H4 C 3 -1.959 -6.942 -1.482
33 H5 C 3 H5 C 3 -5.173 -7.065 0.633
34 H6 C 3 H6 C 3 -5.111 -7.955 2.664
35 1H5* T 4 1H5' T 4 -2.604 -3.332 9.204
36 2H5* T 4 2H5' T 4 -3.766 -2.774 7.983
37 H4* T 4 H4' T 4 -0.768 -3.032 7.544
38 H3* T 4 H3' T 4 -2.225 -0.925 8.942
39 1H2* T 4 1H2' T 4 -1.503 0.831 6.899
40 2H2* T 4 2H2' T 4 -3.090 0.032 6.988
41 H1* T 4 H1' T 4 -0.552 -1.037 5.634
42 H3 T 4 H3 T 4 -1.641 -0.442 1.290
43 1H5M T 4 1H5M T 4 -6.302 -0.841 4.040
44 2H5M T 4 2H5M T 4 -6.162 0.620 3.042
45 3H5M T 4 3H5M T 4 -6.240 -0.979 2.275
46 H6 T 4 H6 T 4 -4.303 -0.702 5.261
47 1H5* A 5 1H5' A 5 2.338 0.324 7.082
48 2H5* A 5 2H5' A 5 2.852 1.402 8.434
49 H4* A 5 H4' A 5 3.824 2.137 6.468
50 H3* A 5 H3' A 5 2.112 3.699 8.211
51 1H2* A 5 1H2' A 5 0.913 4.915 6.382
52 2H2* A 5 2H2' A 5 0.295 3.360 6.810
53 H1* A 5 H1' A 5 2.163 3.962 4.381
54 H8 A 5 H8 A 5 -1.457 3.329 5.467
55 1H6 A 5 1H6 A 5 -2.519 1.924 -0.462
56 2H6 A 5 2H6 A 5 -3.238 2.408 1.060
57 H2 A 5 H2 A 5 1.893 1.626 0.275
58 1H5* G 6 1H5' G 6 3.714 6.937 5.941
59 2H5* G 6 2H5' G 6 4.791 5.705 5.138
60 H4* G 6 H4' G 6 6.268 7.128 4.396
61 H3* G 6 H3' G 6 5.968 8.585 6.712
62 1H2* G 6 1H2' G 6 4.642 10.780 5.652
63 2H2* G 6 2H2' G 6 3.830 9.329 6.246
64 H1* G 6 H1' G 6 4.630 9.930 3.353
65 H8 G 6 H8 G 6 1.585 9.892 5.625
66 H1 G 6 H1 G 6 0.188 8.456 -0.459
67 1H2 G 6 1H2 G 6 3.651 7.994 -0.799
68 2H2 G 6 2H2 G 6 2.086 7.964 -1.589
69 1H5* C 7 1H5' C 7 7.055 9.113 2.514
70 2H5* C 7 2H5' C 7 8.411 10.190 2.139
71 H4* C 7 H4' C 7 6.957 9.722 0.209
72 H3* C 7 H3' C 7 7.944 12.286 0.931
73 1H2* C 7 1H2' C 7 5.595 13.594 0.408
74 2H2* C 7 2H2' C 7 5.878 12.853 1.962
75 H1* C 7 H1' C 7 4.722 11.422 -0.516
76 1H4 C 7 1H4 C 7 -0.707 12.953 3.145
77 2H4 C 7 2H4 C 7 -1.245 12.401 1.570
78 H5 C 7 H5 C 7 1.721 13.091 3.734
79 H6 C 7 H6 C 7 3.896 12.714 2.975
80 1H5* G 8 1H5' G 8 5.037 13.211 -1.705
81 2H5* G 8 2H5' G 8 4.767 12.309 -3.213
82 H4* G 8 H4' G 8 4.445 14.216 -4.485
83 H3* G 8 H3' G 8 5.161 15.672 -1.882
84 1H2* G 8 1H2' G 8 3.211 17.071 -3.665
85 2H2* G 8 2H2' G 8 3.139 16.807 -1.901
86 H1* G 8 H1' G 8 2.097 14.994 -4.141
87 H8 G 8 H8 G 8 2.384 14.915 -0.263
88 H1 G 8 H1 G 8 -3.672 15.535 -2.331
89 1H2 G 8 1H2 G 8 -2.240 15.498 -5.513
90 2H2 G 8 2H2 G 8 -3.709 15.666 -4.579
91 H3T G 8 HO3 G 8 5.195 16.419 -4.638
92 1H5* C 1 1H5' C 1 -12.143 14.962 -3.029
93 2H5* C 1 2H5' C 1 -10.959 15.361 -1.765
94 H4* C 1 H4' C 1 -10.691 16.101 -4.711
95 H3* C 1 H3' C 1 -10.146 13.538 -3.403
96 1H2* C 1 1H2' C 1 -7.447 13.918 -3.984
97 2H2* C 1 2H2' C 1 -8.146 14.282 -2.464
98 H1* C 1 H1' C 1 -7.887 16.240 -4.808
99 1H4 C 1 1H4 C 1 -2.989 18.296 -1.125
100 2H4 C 1 2H4 C 1 -3.607 17.353 0.224
101 H5 C 1 H5 C 1 -6.135 16.993 0.334
102 H6 C 1 H6 C 1 -7.941 16.228 -1.073
103 H5* C 1 H5' C 1 -12.640 16.902 -1.934
104 1H5* G 2 1H5' G 2 -6.866 14.586 -5.900
105 2H5* G 2 2H5' G 2 -7.529 14.042 -7.392
106 H4* G 2 H4' G 2 -5.169 14.090 -7.686
107 H3* G 2 H3' G 2 -6.380 11.580 -8.013
108 1H2* G 2 1H2' G 2 -4.583 10.164 -6.640
109 2H2* G 2 2H2' G 2 -5.885 10.909 -5.743
110 H1* G 2 H1' G 2 -3.093 12.127 -6.193
111 H8 G 2 H8 G 2 -5.964 11.622 -3.506
112 H1 G 2 H1 G 2 -0.056 11.841 -1.024
113 1H2 G 2 1H2 G 2 0.991 12.262 -4.343
114 2H2 G 2 2H2 G 2 1.468 12.034 -2.673
115 1H5* C 3 1H5' C 3 -1.714 11.680 -7.933
116 2H5* C 3 2H5' C 3 -1.063 10.752 -9.318
117 H4* C 3 H4' C 3 0.423 10.457 -7.471
118 H3* C 3 H3' C 3 -1.297 8.058 -8.099
119 1H2* C 3 1H2' C 3 0.225 7.292 -5.685
120 2H2* C 3 2H2' C 3 -1.457 7.377 -6.016
121 H1* C 3 H1' C 3 0.613 9.537 -5.125
122 1H4 C 3 1H4 C 3 -4.191 8.001 -0.645
123 2H4 C 3 2H4 C 3 -2.658 8.041 0.213
124 H5 C 3 H5 C 3 -4.226 8.200 -3.298
125 H6 C 3 H6 C 3 -3.060 9.101 -4.975
126 1H5* T 4 1H5' T 4 2.904 4.416 -8.606
127 2H5* T 4 2H5' T 4 1.302 3.740 -8.242
128 H4* T 4 H4' T 4 3.414 4.400 -6.155
129 H3* T 4 H3' T 4 3.239 2.089 -7.950
130 1H2* T 4 1H2' T 4 2.924 0.519 -5.653
131 2H2* T 4 2H2' T 4 1.589 1.002 -6.722
132 H1* T 4 H1' T 4 2.660 2.528 -4.280
133 H3 T 4 H3 T 4 -0.740 1.656 -1.411
134 1H5M T 4 1H5M T 4 -2.822 1.699 -6.421
135 2H5M T 4 2H5M T 4 -3.262 0.291 -5.431
136 3H5M T 4 3H5M T 4 -3.835 1.912 -4.983
137 H6 T 4 H6 T 4 -0.487 1.736 -6.194
138 1H5* A 5 1H5' A 5 5.663 1.226 -3.797
139 2H5* A 5 2H5' A 5 7.161 0.435 -4.445
140 H4* A 5 H4' A 5 6.848 -0.584 -2.483
141 H3* A 5 H3' A 5 6.454 -2.005 -4.908
142 1H2* A 5 1H2' A 5 4.178 -1.524 -4.396
143 2H2* A 5 2H2' A 5 4.102 -3.032 -4.497
144 H1* A 5 H1' A 5 4.207 -2.444 -1.765
145 H8 A 5 H8 A 5 1.811 -1.724 -4.672
146 1H6 A 5 1H6 A 5 -2.479 -1.049 -0.345
147 2H6 A 5 2H6 A 5 -2.128 -1.075 -2.059
148 H2 A 5 H2 A 5 1.511 -1.310 1.723
149 1H5* G 6 1H5' G 6 6.636 -5.497 -2.636
150 2H5* G 6 2H5' G 6 7.162 -4.440 -1.217
151 H4* G 6 H4' G 6 7.837 -5.972 0.029
152 H3* G 6 H3' G 6 8.843 -7.169 -2.264
153 1H2* G 6 1H2' G 6 7.235 -9.456 -2.179
154 2H2* G 6 2H2' G 6 6.828 -7.958 -3.019
155 H1* G 6 H1' G 6 5.995 -8.756 -0.180
156 H8 G 6 H8 G 6 4.585 -8.320 -3.724
157 H1 G 6 H1 G 6 0.165 -7.705 0.873
158 1H2 G 6 1H2 G 6 2.947 -7.693 3.044
159 2H2 G 6 2H2 G 6 1.203 -7.610 2.913
160 1H5* C 7 1H5' C 7 7.558 -8.126 1.788
161 2H5* C 7 2H5' C 7 8.618 -9.207 2.708
162 H4* C 7 H4' C 7 6.393 -9.041 3.692
163 H3* C 7 H3' C 7 7.773 -11.479 3.209
164 1H2* C 7 1H2' C 7 5.546 -12.827 2.347
165 2H2* C 7 2H2' C 7 6.501 -11.874 1.238
166 H1* C 7 H1' C 7 4.201 -10.838 3.009
167 1H4 C 7 1H4 C 7 1.336 -11.504 -3.036
168 2H4 C 7 2H4 C 7 0.063 -11.197 -1.875
169 H5 C 7 H5 C 7 3.727 -11.683 -2.370
170 H6 C 7 H6 C 7 5.238 -11.541 -0.578
171 1H5* G 8 1H5' G 8 4.027 -12.770 4.066
172 2H5* G 8 2H5' G 8 3.080 -11.984 5.350
173 H4* G 8 H4' G 8 2.210 -13.937 6.186
174 H3* G 8 H3' G 8 4.088 -15.285 4.164
175 1H2* G 8 1H2' G 8 1.481 -16.637 4.809
176 2H2* G 8 2H2' G 8 2.310 -16.475 3.237
177 H1* G 8 H1' G 8 0.285 -14.600 4.530
178 H8 G 8 H8 G 8 2.818 -14.560 1.550
179 H1 G 8 H1 G 8 -3.249 -13.665 -0.326
180 1H2 G 8 1H2 G 8 -4.053 -14.293 3.029
181 2H2 G 8 2H2 G 8 -4.647 -13.922 1.425
182 H3T G 8 HO3 G 8 2.834 -16.151 6.577
183 H1 TOT 1 H1 TOT 1 -4.032 -3.502 5.152
184 H2 TOT 1 H2 TOT 1 -6.472 -3.765 5.234
185 H3 TOT 1 H3 TOT 1 -7.757 -4.040 3.115
186 H4 TOT 1 H4 TOT 1 -6.590 -4.031 0.956
187 1H6 TOT 1 1H6 TOT 1 -4.424 -4.713 -1.176
188 2H6 TOT 1 2H6 TOT 1 -3.667 -3.104 -1.323
189 3H6 TOT 1 3H6 TOT 1 -5.296 -3.240 -0.708
190 H8 TOT 1 H8 TOT 1 -1.841 -4.245 -0.961
191 H13 TOT 1 H13 TOT 2 4.153 -5.000 -1.904
192 H14 TOT 1 H14 TOT 2 3.104 -5.670 -3.916
193 H15 TOT 1 H15 TOT 2 0.850 -4.832 -4.443
194 H16 TOT 1 H16 TOT 2 -0.673 -4.246 -2.612
195 H19 TOT 1 H9 TOT 2 0.034 -4.907 2.287
196 H20 TOT 1 H10 TOT 2 2.415 -4.673 2.481
197 1H22 TOT 1 1H19 TOT 3 4.270 -4.438 1.998
198 2H22 TOT 1 2H19 TOT 3 4.391 -5.392 0.655
199 1H23 TOT 1 1H20 TOT 3 4.521 -2.368 0.518
200 2H23 TOT 1 2H20 TOT 3 5.418 -3.499 -0.540
201 1H24 TOT 1 1H21 TOT 3 6.907 -4.141 1.213
202 2H24 TOT 1 2H21 TOT 3 5.948 -3.353 2.444
203 1H26 TOT 1 1H23 TOT 3 5.714 -0.565 0.789
204 2H26 TOT 1 2H23 TOT 3 5.570 -1.097 2.468
205 1H27 TOT 1 1H24 TOT 4 7.523 0.205 3.105
206 2H27 TOT 1 2H24 TOT 4 7.776 0.696 1.407
207 1H28 TOT 1 1H31 TOT 3 7.017 -1.869 -0.727
208 2H28 TOT 1 2H31 TOT 3 8.374 -0.989 -0.018
209 3H28 TOT 1 3H31 TOT 3 8.430 -2.748 -0.137
210 1H29 TOT 1 1H32 TOT 3 8.735 -3.134 2.238
211 2H29 TOT 1 2H32 TOT 3 8.946 -1.392 2.318
212 3H29 TOT 1 3H32 TOT 3 7.787 -2.196 3.398
213 H31 TOT 1 H1 TOT 7 -0.659 4.541 -6.287
214 H32 TOT 1 H2 TOT 7 -2.653 4.678 -7.717
215 H33 TOT 1 H3 TOT 7 -4.896 5.016 -6.680
216 H34 TOT 1 H4 TOT 7 -5.129 5.066 -4.244
217 1H36 TOT 1 1H6 TOT 7 -5.016 4.418 -2.130
218 2H36 TOT 1 2H6 TOT 7 -3.983 4.140 -0.749
219 3H36 TOT 1 3H6 TOT 7 -4.456 5.803 -1.182
220 H38 TOT 1 H8 TOT 7 -2.262 5.297 -0.012
221 H43 TOT 1 H13 TOT 6 2.113 6.781 3.824
222 H44 TOT 1 H14 TOT 6 0.137 7.030 5.194
223 H45 TOT 1 H15 TOT 6 -2.067 6.326 4.314
224 H46 TOT 1 H16 TOT 6 -2.309 5.722 1.955
225 H49 TOT 1 H9 TOT 6 1.180 4.572 -1.455
226 H50 TOT 1 H10 TOT 6 3.206 4.603 -0.127
227 1H52 TOT 1 1H19 TOT 5 3.516 5.327 3.368
228 2H52 TOT 1 2H19 TOT 5 4.099 5.987 1.840
229 1H53 TOT 1 1H20 TOT 5 3.782 3.046 2.060
230 2H53 TOT 1 2H20 TOT 5 4.873 4.005 1.030
231 1H54 TOT 1 1H21 TOT 5 5.934 4.820 3.241
232 2H54 TOT 1 2H21 TOT 5 4.983 3.533 3.987
233 1H56 TOT 1 1H23 TOT 5 5.501 1.683 1.405
234 2H56 TOT 1 2H23 TOT 5 5.289 1.232 3.100
235 1H58 TOT 1 1H31 TOT 5 7.675 3.690 4.421
236 2H58 TOT 1 2H31 TOT 5 8.292 2.133 3.883
237 3H58 TOT 1 3H31 TOT 5 6.782 2.216 4.808
238 1H59 TOT 1 1H32 TOT 5 7.805 4.428 1.994
239 2H59 TOT 1 2H32 TOT 5 7.004 3.439 0.765
240 3H59 TOT 1 3H32 TOT 5 8.403 2.816 1.638
Raw file had 240 H/Q atoms
Start of MODEL 13
1 1H5* C 1 1H5' C 1 -11.354 -13.276 -4.160
2 2H5* C 1 2H5' C 1 -9.673 -13.011 -4.670
3 H4* C 1 H4' C 1 -10.549 -14.821 -2.379
4 H3* C 1 H3' C 1 -10.276 -11.896 -2.386
5 1H2* C 1 1H2' C 1 -8.135 -12.211 -0.674
6 2H2* C 1 2H2' C 1 -7.976 -11.882 -2.348
7 H1* C 1 H1' C 1 -7.830 -14.563 -0.946
8 1H4 C 1 1H4 C 1 -2.525 -12.122 -4.425
9 2H4 C 1 2H4 C 1 -1.997 -12.298 -2.761
10 H5 C 1 H5 C 1 -4.817 -12.733 -5.147
11 H6 C 1 H6 C 1 -6.964 -13.483 -4.385
12 H5* C 1 H5' C 1 -10.714 -14.664 -5.856
13 1H5* G 2 1H5' G 2 -8.286 -13.460 0.971
14 2H5* G 2 2H5' G 2 -9.589 -13.503 2.086
15 H4* G 2 H4' G 2 -7.816 -13.235 3.548
16 H3* G 2 H3' G 2 -9.303 -10.844 3.400
17 1H2* G 2 1H2' G 2 -7.213 -9.185 3.210
18 2H2* G 2 2H2' G 2 -7.820 -9.910 1.730
19 H1* G 2 H1' G 2 -5.533 -11.005 3.473
20 H8 G 2 H8 G 2 -6.579 -10.011 -0.247
21 H1 G 2 H1 G 2 -0.265 -10.783 0.602
22 1H2 G 2 1H2 G 2 -1.102 -11.414 3.947
23 2H2 G 2 2H2 G 2 0.182 -11.192 2.777
24 1H5* C 3 1H5' C 3 -5.338 -10.777 5.731
25 2H5* C 3 2H5' C 3 -5.575 -10.010 7.335
26 H4* C 3 H4' C 3 -3.371 -9.480 6.633
27 H3* C 3 H3' C 3 -5.301 -7.175 6.324
28 1H2* C 3 1H2' C 3 -2.778 -6.208 5.143
29 2H2* C 3 2H2' C 3 -4.362 -6.361 4.521
30 H1* C 3 H1' C 3 -2.009 -8.398 4.815
31 1H4 C 3 1H4 C 3 -3.661 -6.926 -1.553
32 2H4 C 3 2H4 C 3 -1.908 -6.972 -1.452
33 H5 C 3 H5 C 3 -5.122 -7.132 0.660
34 H6 C 3 H6 C 3 -5.050 -8.011 2.695
35 1H5* T 4 1H5' T 4 -2.664 -3.325 9.221
36 2H5* T 4 2H5' T 4 -3.833 -2.806 7.988
37 H4* T 4 H4' T 4 -0.824 -2.986 7.575
38 H3* T 4 H3' T 4 -2.348 -0.914 8.948
39 1H2* T 4 1H2' T 4 -1.680 0.852 6.899
40 2H2* T 4 2H2' T 4 -3.238 -0.004 6.984
41 H1* T 4 H1' T 4 -0.655 -0.989 5.653
42 H3 T 4 H3 T 4 -1.729 -0.477 1.292
43 1H5M T 4 1H5M T 4 -6.275 0.532 3.019
44 2H5M T 4 2H5M T 4 -6.325 -1.067 2.252
45 3H5M T 4 3H5M T 4 -6.398 -0.931 4.017
46 H6 T 4 H6 T 4 -4.409 -0.750 5.250
47 1H5* A 5 1H5' A 5 2.206 0.471 7.135
48 2H5* A 5 2H5' A 5 2.655 1.598 8.471
49 H4* A 5 H4' A 5 3.620 2.326 6.492
50 H3* A 5 H3' A 5 1.834 3.858 8.188
51 1H2* A 5 1H2' A 5 0.615 4.990 6.319
52 2H2* A 5 2H2' A 5 0.044 3.425 6.783
53 H1* A 5 H1' A 5 1.908 4.031 4.352
54 H8 A 5 H8 A 5 -1.696 3.261 5.439
55 1H6 A 5 1H6 A 5 -2.672 1.902 -0.515
56 2H6 A 5 2H6 A 5 -3.417 2.354 1.005
57 H2 A 5 H2 A 5 1.735 1.687 0.259
58 1H5* G 6 1H5' G 6 3.359 7.060 5.836
59 2H5* G 6 2H5' G 6 4.466 5.832 5.083
60 H4* G 6 H4' G 6 5.885 7.304 4.254
61 H3* G 6 H3' G 6 5.587 8.856 6.512
62 1H2* G 6 1H2' G 6 3.961 10.824 5.561
63 2H2* G 6 2H2' G 6 3.299 9.263 6.171
64 H1* G 6 H1' G 6 4.167 9.949 3.264
65 H8 G 6 H8 G 6 1.090 9.924 5.451
66 H1 G 6 H1 G 6 -0.196 8.394 -0.638
67 1H2 G 6 1H2 G 6 3.283 7.978 -0.898
68 2H2 G 6 2H2 G 6 1.736 7.898 -1.719
69 1H5* C 7 1H5' C 7 6.582 8.488 2.293
70 2H5* C 7 2H5' C 7 8.172 8.759 1.563
71 H4* C 7 H4' C 7 6.596 9.226 -0.110
72 H3* C 7 H3' C 7 8.129 11.508 0.833
73 1H2* C 7 1H2' C 7 6.019 13.210 0.340
74 2H2* C 7 2H2' C 7 6.172 12.395 1.893
75 H1* C 7 H1' C 7 4.835 11.200 -0.601
76 1H4 C 7 1H4 C 7 -0.491 13.160 2.995
77 2H4 C 7 2H4 C 7 -1.061 12.505 1.472
78 H5 C 7 H5 C 7 1.941 13.318 3.529
79 H6 C 7 H6 C 7 4.126 12.790 2.780
80 1H5* G 8 1H5' G 8 5.433 12.949 -1.800
81 2H5* G 8 2H5' G 8 5.130 12.037 -3.299
82 H4* G 8 H4' G 8 4.986 13.944 -4.616
83 H3* G 8 H3' G 8 5.673 15.384 -1.986
84 1H2* G 8 1H2' G 8 3.953 16.798 -4.008
85 2H2* G 8 2H2' G 8 3.814 16.762 -2.226
86 H1* G 8 H1' G 8 2.600 14.854 -4.271
87 H8 G 8 H8 G 8 3.139 15.008 -0.412
88 H1 G 8 H1 G 8 -3.060 15.247 -2.071
89 1H2 G 8 1H2 G 8 -1.837 15.277 -5.360
90 2H2 G 8 2H2 G 8 -3.246 15.328 -4.324
91 H3T G 8 HO3 G 8 7.111 15.519 -3.800
92 1H5* C 1 1H5' C 1 -11.909 15.621 -3.058
93 2H5* C 1 2H5' C 1 -10.756 15.927 -1.743
94 H4* C 1 H4' C 1 -10.316 16.658 -4.670
95 H3* C 1 H3' C 1 -10.022 14.050 -3.376
96 1H2* C 1 1H2' C 1 -7.283 14.244 -3.809
97 2H2* C 1 2H2' C 1 -8.041 14.556 -2.297
98 H1* C 1 H1' C 1 -7.293 16.605 -4.422
99 1H4 C 1 1H4 C 1 -4.344 17.225 1.640
100 2H4 C 1 2H4 C 1 -3.070 16.801 0.513
101 H5 C 1 H5 C 1 -6.735 17.225 0.973
102 H6 C 1 H6 C 1 -8.247 16.935 -0.882
103 H5* C 1 H5' C 1 -10.889 18.151 -2.288
104 1H5* G 2 1H5' G 2 -6.528 14.929 -5.689
105 2H5* G 2 2H5' G 2 -7.284 14.553 -7.198
106 H4* G 2 H4' G 2 -4.951 14.401 -7.598
107 H3* G 2 H3' G 2 -6.373 12.034 -8.017
108 1H2* G 2 1H2' G 2 -4.712 10.390 -6.744
109 2H2* G 2 2H2' G 2 -5.923 11.205 -5.788
110 H1* G 2 H1' G 2 -3.027 12.145 -6.203
111 H8 G 2 H8 G 2 -5.947 11.843 -3.525
112 H1 G 2 H1 G 2 -0.035 11.754 -1.012
113 1H2 G 2 1H2 G 2 1.048 12.097 -4.328
114 2H2 G 2 2H2 G 2 1.508 11.877 -2.652
115 1H5* C 3 1H5' C 3 -1.747 11.731 -8.027
116 2H5* C 3 2H5' C 3 -1.146 10.774 -9.416
117 H4* C 3 H4' C 3 0.263 10.395 -7.496
118 H3* C 3 H3' C 3 -1.510 8.075 -8.276
119 1H2* C 3 1H2' C 3 -0.093 7.225 -5.811
120 2H2* C 3 2H2' C 3 -1.755 7.316 -6.221
121 H1* C 3 H1' C 3 0.312 9.428 -5.198
122 1H4 C 3 1H4 C 3 -4.662 8.023 -0.873
123 2H4 C 3 2H4 C 3 -3.158 8.045 0.034
124 H5 C 3 H5 C 3 -4.602 8.178 -3.533
125 H6 C 3 H6 C 3 -3.379 9.002 -5.182
126 1H5* T 4 1H5' T 4 2.737 4.402 -8.662
127 2H5* T 4 2H5' T 4 1.153 3.694 -8.277
128 H4* T 4 H4' T 4 3.263 4.431 -6.214
129 H3* T 4 H3' T 4 3.164 2.108 -7.987
130 1H2* T 4 1H2' T 4 2.852 0.524 -5.705
131 2H2* T 4 2H2' T 4 1.515 0.996 -6.775
132 H1* T 4 H1' T 4 2.557 2.523 -4.321
133 H3 T 4 H3 T 4 -0.853 1.668 -1.456
134 1H5M T 4 1H5M T 4 -3.921 1.809 -5.054
135 2H5M T 4 2H5M T 4 -2.896 1.577 -6.479
136 3H5M T 4 3H5M T 4 -3.331 0.185 -5.465
137 H6 T 4 H6 T 4 -0.565 1.637 -6.238
138 1H5* A 5 1H5' A 5 5.565 1.324 -3.792
139 2H5* A 5 2H5' A 5 7.082 0.555 -4.425
140 H4* A 5 H4' A 5 6.777 -0.455 -2.459
141 H3* A 5 H3' A 5 6.421 -1.900 -4.877
142 1H2* A 5 1H2' A 5 4.134 -1.456 -4.381
143 2H2* A 5 2H2' A 5 4.087 -2.967 -4.473
144 H1* A 5 H1' A 5 4.170 -2.361 -1.744
145 H8 A 5 H8 A 5 1.772 -1.704 -4.663
146 1H6 A 5 1H6 A 5 -2.547 -1.070 -0.357
147 2H6 A 5 2H6 A 5 -2.190 -1.106 -2.069
148 H2 A 5 H2 A 5 1.438 -1.253 1.727
149 1H5* G 6 1H5' G 6 6.660 -5.372 -2.587
150 2H5* G 6 2H5' G 6 7.159 -4.302 -1.168
151 H4* G 6 H4' G 6 7.858 -5.819 0.084
152 H3* G 6 H3' G 6 8.897 -6.999 -2.203
153 1H2* G 6 1H2' G 6 7.333 -9.317 -2.125
154 2H2* G 6 2H2' G 6 6.901 -7.827 -2.967
155 H1* G 6 H1' G 6 6.072 -8.640 -0.131
156 H8 G 6 H8 G 6 4.667 -8.236 -3.678
157 H1 G 6 H1 G 6 0.224 -7.688 0.905
158 1H2 G 6 1H2 G 6 3.001 -7.619 3.082
159 2H2 G 6 2H2 G 6 1.255 -7.567 2.947
160 1H5* C 7 1H5' C 7 7.616 -7.981 1.846
161 2H5* C 7 2H5' C 7 8.693 -9.042 2.769
162 H4* C 7 H4' C 7 6.463 -8.918 3.746
163 H3* C 7 H3' C 7 7.888 -11.331 3.263
164 1H2* C 7 1H2' C 7 5.687 -12.717 2.397
165 2H2* C 7 2H2' C 7 6.627 -11.748 1.291
166 H1* C 7 H1' C 7 4.306 -10.752 3.059
167 1H4 C 7 1H4 C 7 1.459 -11.471 -2.989
168 2H4 C 7 2H4 C 7 0.179 -11.184 -1.829
169 H5 C 7 H5 C 7 3.852 -11.607 -2.320
170 H6 C 7 H6 C 7 5.359 -11.438 -0.526
171 1H5* G 8 1H5' G 8 4.164 -12.689 4.111
172 2H5* G 8 2H5' G 8 3.202 -11.921 5.395
173 H4* G 8 H4' G 8 2.365 -13.891 6.227
174 H3* G 8 H3' G 8 4.265 -15.203 4.204
175 1H2* G 8 1H2' G 8 1.681 -16.598 4.847
176 2H2* G 8 2H2' G 8 2.507 -16.422 3.276
177 H1* G 8 H1' G 8 0.451 -14.581 4.570
178 H8 G 8 H8 G 8 2.984 -14.495 1.591
179 H1 G 8 H1 G 8 -3.097 -13.700 -0.287
180 1H2 G 8 1H2 G 8 -3.890 -14.338 3.068
181 2H2 G 8 2H2 G 8 -4.490 -13.978 1.463
182 H3T G 8 HO3 G 8 4.054 -16.917 5.742
183 H1 TOT 1 H1 TOT 1 -4.067 -3.545 5.155
184 H2 TOT 1 H2 TOT 1 -6.502 -3.852 5.232
185 H3 TOT 1 H3 TOT 1 -7.778 -4.147 3.110
186 H4 TOT 1 H4 TOT 1 -6.605 -4.126 0.954
187 1H6 TOT 1 1H6 TOT 1 -4.412 -4.786 -1.173
188 2H6 TOT 1 2H6 TOT 1 -3.693 -3.159 -1.319
189 3H6 TOT 1 3H6 TOT 1 -5.321 -3.333 -0.712
190 H8 TOT 1 H8 TOT 1 -1.845 -4.264 -0.949
191 H13 TOT 1 H13 TOT 2 4.165 -4.919 -1.870
192 H14 TOT 1 H14 TOT 2 3.135 -5.618 -3.883
193 H15 TOT 1 H15 TOT 2 0.867 -4.828 -4.420
194 H16 TOT 1 H16 TOT 2 -0.673 -4.261 -2.597
195 H19 TOT 1 H9 TOT 2 0.032 -4.886 2.308
196 H20 TOT 1 H10 TOT 2 2.408 -4.608 2.507
197 1H22 TOT 1 1H19 TOT 3 4.262 -4.349 2.028
198 2H22 TOT 1 2H19 TOT 3 4.401 -5.297 0.684
199 1H23 TOT 1 1H20 TOT 3 4.464 -2.274 0.539
200 2H23 TOT 1 2H20 TOT 3 5.395 -3.387 -0.507
201 1H24 TOT 1 1H21 TOT 3 6.892 -3.979 1.259
202 2H24 TOT 1 2H21 TOT 3 5.903 -3.207 2.478
203 1H26 TOT 1 1H23 TOT 3 5.613 -0.441 0.786
204 2H26 TOT 1 2H23 TOT 3 5.463 -0.958 2.469
205 1H27 TOT 1 1H24 TOT 4 7.374 0.401 3.112
206 2H27 TOT 1 2H24 TOT 4 7.632 0.883 1.413
207 1H28 TOT 1 1H31 TOT 3 6.962 -1.729 -0.700
208 2H28 TOT 1 2H31 TOT 3 8.289 -0.806 0.011
209 3H28 TOT 1 3H31 TOT 3 8.391 -2.565 -0.086
210 1H29 TOT 1 1H32 TOT 3 8.847 -1.166 2.358
211 2H29 TOT 1 2H32 TOT 3 7.699 -1.987 3.436
212 3H29 TOT 1 3H32 TOT 3 8.682 -2.914 2.296
213 H31 TOT 1 H1 TOT 7 -0.791 4.430 -6.422
214 H32 TOT 1 H2 TOT 7 -2.751 4.612 -7.892
215 H33 TOT 1 H3 TOT 7 -5.014 4.937 -6.899
216 H34 TOT 1 H4 TOT 7 -5.291 5.013 -4.464
217 1H36 TOT 1 1H6 TOT 7 -5.194 4.319 -2.339
218 2H36 TOT 1 2H6 TOT 7 -4.201 4.177 -0.908
219 3H36 TOT 1 3H6 TOT 7 -4.727 5.785 -1.468
220 H38 TOT 1 H8 TOT 7 -2.504 5.361 -0.198
221 H43 TOT 1 H13 TOT 6 1.749 6.798 3.745
222 H44 TOT 1 H14 TOT 6 -0.270 6.974 5.085
223 H45 TOT 1 H15 TOT 6 -2.419 6.185 4.171
224 H46 TOT 1 H16 TOT 6 -2.601 5.561 1.807
225 H49 TOT 1 H9 TOT 6 0.975 4.592 -1.558
226 H50 TOT 1 H10 TOT 6 2.977 4.682 -0.197
227 1H52 TOT 1 1H19 TOT 5 3.210 5.393 3.305
228 2H52 TOT 1 2H19 TOT 5 3.793 6.082 1.793
229 1H53 TOT 1 1H20 TOT 5 3.573 3.132 1.979
230 2H53 TOT 1 2H20 TOT 5 4.650 4.138 0.981
231 1H54 TOT 1 1H21 TOT 5 5.650 4.960 3.211
232 2H54 TOT 1 2H21 TOT 5 4.721 3.647 3.939
233 1H56 TOT 1 1H23 TOT 5 5.332 1.809 1.375
234 2H56 TOT 1 2H23 TOT 5 5.110 1.362 3.070
235 1H58 TOT 1 1H31 TOT 5 8.078 2.355 3.885
236 2H58 TOT 1 2H31 TOT 5 6.555 2.400 4.792
237 3H58 TOT 1 3H31 TOT 5 7.410 3.896 4.405
238 1H59 TOT 1 1H32 TOT 5 7.544 4.624 1.979
239 2H59 TOT 1 2H32 TOT 5 6.790 3.606 0.745
240 3H59 TOT 1 3H32 TOT 5 8.195 3.028 1.639
Start of MODEL 13
Raw file had 240 H/Q atoms
Start of MODEL 14
1 1H5* C 1 1H5' C 1 -11.166 -14.368 -4.079
2 2H5* C 1 2H5' C 1 -9.481 -14.621 -4.581
3 H4* C 1 H4' C 1 -10.676 -15.521 -1.925
4 H3* C 1 H3' C 1 -9.781 -12.843 -2.691
5 1H2* C 1 1H2' C 1 -7.694 -13.109 -0.883
6 2H2* C 1 2H2' C 1 -7.520 -13.319 -2.583
7 H1* C 1 H1' C 1 -7.976 -15.493 -0.502
8 1H4 C 1 1H4 C 1 -2.261 -15.808 -4.120
9 2H4 C 1 2H4 C 1 -1.781 -15.459 -2.470
10 H5 C 1 H5 C 1 -4.643 -15.817 -4.816
11 H6 C 1 H6 C 1 -6.911 -15.612 -4.026
12 H5* C 1 H5' C 1 -10.886 -16.263 -5.320
13 1H5* G 2 1H5' G 2 -8.020 -13.914 1.086
14 2H5* G 2 2H5' G 2 -9.497 -13.648 1.948
15 H4* G 2 H4' G 2 -7.795 -13.511 3.589
16 H3* G 2 H3' G 2 -9.284 -11.175 3.259
17 1H2* G 2 1H2' G 2 -7.247 -9.455 3.193
18 2H2* G 2 2H2' G 2 -7.711 -10.220 1.699
19 H1* G 2 H1' G 2 -5.488 -11.168 3.602
20 H8 G 2 H8 G 2 -6.469 -10.722 -0.228
21 H1 G 2 H1 G 2 -0.141 -10.653 0.882
22 1H2 G 2 1H2 G 2 -1.033 -11.150 4.239
23 2H2 G 2 2H2 G 2 0.266 -10.918 3.087
24 1H5* C 3 1H5' C 3 -5.455 -10.786 5.840
25 2H5* C 3 2H5' C 3 -5.781 -9.904 7.364
26 H4* C 3 H4' C 3 -3.584 -9.328 6.602
27 H3* C 3 H3' C 3 -5.638 -7.140 6.166
28 1H2* C 3 1H2' C 3 -3.055 -6.152 5.084
29 2H2* C 3 2H2' C 3 -4.620 -6.267 4.420
30 H1* C 3 H1' C 3 -2.277 -8.308 4.744
31 1H4 C 3 1H4 C 3 -4.026 -6.887 -1.610
32 2H4 C 3 2H4 C 3 -2.272 -6.883 -1.536
33 H5 C 3 H5 C 3 -5.445 -7.115 0.627
34 H6 C 3 H6 C 3 -5.338 -7.967 2.656
35 1H5* T 4 1H5' T 4 -2.939 -3.208 9.109
36 2H5* T 4 2H5' T 4 -4.008 -2.623 7.816
37 H4* T 4 H4' T 4 -1.005 -3.014 7.542
38 H3* T 4 H3' T 4 -2.389 -0.859 8.887
39 1H2* T 4 1H2' T 4 -1.713 0.892 6.845
40 2H2* T 4 2H2' T 4 -3.285 0.061 6.916
41 H1* T 4 H1' T 4 -0.711 -0.951 5.586
42 H3 T 4 H3 T 4 -1.769 -0.428 1.216
43 1H5M T 4 1H5M T 4 -6.374 -0.924 2.176
44 2H5M T 4 2H5M T 4 -6.447 -0.772 3.939
45 3H5M T 4 3H5M T 4 -6.295 0.681 2.930
46 H6 T 4 H6 T 4 -4.459 -0.626 5.171
47 1H5* A 5 1H5' A 5 2.226 0.386 7.032
48 2H5* A 5 2H5' A 5 2.695 1.489 8.381
49 H4* A 5 H4' A 5 3.678 2.222 6.413
50 H3* A 5 H3' A 5 1.920 3.769 8.123
51 1H2* A 5 1H2' A 5 0.720 4.943 6.268
52 2H2* A 5 2H2' A 5 0.120 3.385 6.716
53 H1* A 5 H1' A 5 1.992 3.985 4.291
54 H8 A 5 H8 A 5 -1.622 3.243 5.371
55 1H6 A 5 1H6 A 5 -2.617 1.977 -0.601
56 2H6 A 5 2H6 A 5 -3.358 2.410 0.927
57 H2 A 5 H2 A 5 1.789 1.723 0.161
58 1H5* G 6 1H5' G 6 3.476 6.981 5.827
59 2H5* G 6 2H5' G 6 4.575 5.763 5.043
60 H4* G 6 H4' G 6 5.998 7.246 4.242
61 H3* G 6 H3' G 6 5.711 8.754 6.532
62 1H2* G 6 1H2' G 6 4.091 10.748 5.621
63 2H2* G 6 2H2' G 6 3.424 9.179 6.206
64 H1* G 6 H1' G 6 4.287 9.917 3.311
65 H8 G 6 H8 G 6 1.215 9.858 5.505
66 H1 G 6 H1 G 6 -0.090 8.465 -0.613
67 1H2 G 6 1H2 G 6 3.385 8.027 -0.885
68 2H2 G 6 2H2 G 6 1.837 7.975 -1.706
69 1H5* C 7 1H5' C 7 6.687 8.469 2.303
70 2H5* C 7 2H5' C 7 8.275 8.749 1.572
71 H4* C 7 H4' C 7 6.695 9.251 -0.086
72 H3* C 7 H3' C 7 8.237 11.512 0.894
73 1H2* C 7 1H2' C 7 6.130 13.227 0.435
74 2H2* C 7 2H2' C 7 6.286 12.386 1.973
75 H1* C 7 H1' C 7 4.939 11.235 -0.537
76 1H4 C 7 1H4 C 7 -0.373 13.153 3.101
77 2H4 C 7 2H4 C 7 -0.947 12.530 1.567
78 H5 C 7 H5 C 7 2.061 13.289 3.636
79 H6 C 7 H6 C 7 4.243 12.766 2.874
80 1H5* G 8 1H5' G 8 5.536 13.005 -1.704
81 2H5* G 8 2H5' G 8 5.224 12.125 -3.220
82 H4* G 8 H4' G 8 5.087 14.059 -4.499
83 H3* G 8 H3' G 8 5.783 15.442 -1.840
84 1H2* G 8 1H2' G 8 4.069 16.905 -3.833
85 2H2* G 8 2H2' G 8 3.931 16.834 -2.052
86 H1* G 8 H1' G 8 2.707 14.972 -4.134
87 H8 G 8 H8 G 8 3.248 15.047 -0.273
88 H1 G 8 H1 G 8 -2.950 15.357 -1.927
89 1H2 G 8 1H2 G 8 -1.726 15.438 -5.215
90 2H2 G 8 2H2 G 8 -3.135 15.478 -4.179
91 H3T G 8 HO3 G 8 7.222 15.606 -3.653
92 1H5* C 1 1H5' C 1 -11.805 15.740 -2.933
93 2H5* C 1 2H5' C 1 -10.652 16.020 -1.611
94 H4* C 1 H4' C 1 -10.208 16.805 -4.523
95 H3* C 1 H3' C 1 -9.914 14.174 -3.275
96 1H2* C 1 1H2' C 1 -7.175 14.379 -3.701
97 2H2* C 1 2H2' C 1 -7.935 14.662 -2.184
98 H1* C 1 H1' C 1 -7.187 16.750 -4.272
99 1H4 C 1 1H4 C 1 -4.242 17.261 1.803
100 2H4 C 1 2H4 C 1 -2.967 16.860 0.669
101 H5 C 1 H5 C 1 -6.633 17.272 1.135
102 H6 C 1 H6 C 1 -8.143 17.014 -0.726
103 H5* C 1 H5' C 1 -12.207 17.684 -1.806
104 1H5* G 2 1H5' G 2 -6.418 15.097 -5.567
105 2H5* G 2 2H5' G 2 -7.170 14.745 -7.083
106 H4* G 2 H4' G 2 -4.836 14.601 -7.482
107 H3* G 2 H3' G 2 -6.258 12.240 -7.940
108 1H2* G 2 1H2' G 2 -4.599 10.576 -6.692
109 2H2* G 2 2H2' G 2 -5.810 11.377 -5.724
110 H1* G 2 H1' G 2 -2.914 12.323 -6.122
111 H8 G 2 H8 G 2 -5.835 11.976 -3.450
112 H1 G 2 H1 G 2 0.076 11.833 -0.937
113 1H2 G 2 1H2 G 2 1.161 12.231 -4.247
114 2H2 G 2 2H2 G 2 1.620 11.980 -2.575
115 1H5* C 3 1H5' C 3 -1.631 11.933 -7.950
116 2H5* C 3 2H5' C 3 -1.031 10.999 -9.356
117 H4* C 3 H4' C 3 0.377 10.583 -7.444
118 H3* C 3 H3' C 3 -1.404 8.281 -8.259
119 1H2* C 3 1H2' C 3 0.013 7.387 -5.810
120 2H2* C 3 2H2' C 3 -1.649 7.491 -6.217
121 H1* C 3 H1' C 3 0.425 9.578 -5.161
122 1H4 C 3 1H4 C 3 -4.551 8.119 -0.856
123 2H4 C 3 2H4 C 3 -3.046 8.122 0.050
124 H5 C 3 H5 C 3 -4.492 8.316 -3.513
125 H6 C 3 H6 C 3 -3.267 9.165 -5.149
126 1H5* T 4 1H5' T 4 2.815 4.587 -8.711
127 2H5* T 4 2H5' T 4 1.230 3.888 -8.317
128 H4* T 4 H4' T 4 3.370 4.581 -6.270
129 H3* T 4 H3' T 4 3.262 2.299 -8.074
130 1H2* T 4 1H2' T 4 2.853 0.645 -5.872
131 2H2* T 4 2H2' T 4 1.541 1.215 -6.926
132 H1* T 4 H1' T 4 2.636 2.602 -4.413
133 H3 T 4 H3 T 4 -0.801 1.818 -1.555
134 1H5M T 4 1H5M T 4 -2.842 1.770 -6.578
135 2H5M T 4 2H5M T 4 -3.272 0.359 -5.587
136 3H5M T 4 3H5M T 4 -3.867 1.974 -5.148
137 H6 T 4 H6 T 4 -0.509 1.807 -6.338
138 1H5* A 5 1H5' A 5 5.637 1.351 -3.849
139 2H5* A 5 2H5' A 5 7.108 0.517 -4.508
140 H4* A 5 H4' A 5 6.761 -0.506 -2.558
141 H3* A 5 H3' A 5 6.330 -1.896 -5.000
142 1H2* A 5 1H2' A 5 4.073 -1.348 -4.486
143 2H2* A 5 2H2' A 5 3.959 -2.850 -4.614
144 H1* A 5 H1' A 5 4.067 -2.308 -1.871
145 H8 A 5 H8 A 5 1.706 -1.472 -4.784
146 1H6 A 5 1H6 A 5 -2.613 -0.991 -0.459
147 2H6 A 5 2H6 A 5 -2.257 -0.963 -2.172
148 H2 A 5 H2 A 5 1.367 -1.256 1.621
149 1H5* G 6 1H5' G 6 6.414 -5.394 -2.747
150 2H5* G 6 2H5' G 6 6.966 -4.361 -1.323
151 H4* G 6 H4' G 6 7.553 -5.976 -0.077
152 H3* G 6 H3' G 6 8.574 -7.196 -2.356
153 1H2* G 6 1H2' G 6 6.757 -9.229 -2.626
154 2H2* G 6 2H2' G 6 6.483 -7.585 -3.304
155 H1* G 6 H1' G 6 5.721 -8.603 -0.455
156 H8 G 6 H8 G 6 4.236 -8.120 -3.903
157 H1 G 6 H1 G 6 -0.124 -7.584 0.763
158 1H2 G 6 1H2 G 6 2.702 -7.550 2.875
159 2H2 G 6 2H2 G 6 0.955 -7.469 2.781
160 1H5* C 7 1H5' C 7 7.140 -7.411 1.751
161 2H5* C 7 2H5' C 7 8.129 -7.800 3.169
162 H4* C 7 H4' C 7 5.945 -8.435 3.720
163 H3* C 7 H3' C 7 7.826 -10.638 3.411
164 1H2* C 7 1H2' C 7 5.790 -12.304 2.560
165 2H2* C 7 2H2' C 7 6.696 -11.328 1.417
166 H1* C 7 H1' C 7 4.248 -10.374 3.010
167 1H4 C 7 1H4 C 7 1.577 -11.586 -3.031
168 2H4 C 7 2H4 C 7 0.280 -11.173 -1.928
169 H5 C 7 H5 C 7 3.943 -11.790 -2.263
170 H6 C 7 H6 C 7 5.416 -11.471 -0.444
171 1H5* G 8 1H5' G 8 4.205 -12.251 4.175
172 2H5* G 8 2H5' G 8 3.217 -11.447 5.421
173 H4* G 8 H4' G 8 2.377 -13.417 6.280
174 H3* G 8 H3' G 8 4.292 -14.725 4.262
175 1H2* G 8 1H2' G 8 1.733 -16.148 4.949
176 2H2* G 8 2H2' G 8 2.547 -15.980 3.368
177 H1* G 8 H1' G 8 0.486 -14.140 4.657
178 H8 G 8 H8 G 8 2.972 -14.064 1.647
179 H1 G 8 H1 G 8 -3.177 -13.989 -0.202
180 1H2 G 8 1H2 G 8 -3.870 -14.269 3.227
181 2H2 G 8 2H2 G 8 -4.523 -14.191 1.605
182 H3T G 8 HO3 G 8 3.095 -15.608 6.699
183 H1 TOT 1 H1 TOT 1 -4.195 -3.426 5.084
184 H2 TOT 1 H2 TOT 1 -6.634 -3.712 5.193
185 H3 TOT 1 H3 TOT 1 -7.937 -4.002 3.089
186 H4 TOT 1 H4 TOT 1 -6.789 -4.014 0.919
187 1H6 TOT 1 1H6 TOT 1 -3.887 -3.093 -1.392
188 2H6 TOT 1 2H6 TOT 1 -5.513 -3.228 -0.763
189 3H6 TOT 1 3H6 TOT 1 -4.643 -4.703 -1.225
190 H8 TOT 1 H8 TOT 1 -2.057 -4.242 -1.039
191 H13 TOT 1 H13 TOT 2 3.939 -4.861 -2.049
192 H14 TOT 1 H14 TOT 2 2.835 -5.435 -4.093
193 H15 TOT 1 H15 TOT 2 0.619 -4.535 -4.554
194 H16 TOT 1 H16 TOT 2 -0.887 -4.004 -2.682
195 H19 TOT 1 H9 TOT 2 -0.141 -4.815 2.188
196 H20 TOT 1 H10 TOT 2 2.238 -4.583 2.361
197 1H22 TOT 1 1H19 TOT 3 4.089 -4.347 1.868
198 2H22 TOT 1 2H19 TOT 3 4.198 -5.289 0.517
199 1H23 TOT 1 1H20 TOT 3 4.357 -2.270 0.405
200 2H23 TOT 1 2H20 TOT 3 5.240 -3.404 -0.661
201 1H24 TOT 1 1H21 TOT 3 6.730 -4.071 1.084
202 2H24 TOT 1 2H21 TOT 3 5.773 -3.287 2.319
203 1H26 TOT 1 1H23 TOT 3 5.577 -0.486 0.654
204 2H26 TOT 1 2H23 TOT 3 5.395 -1.021 2.329
205 1H27 TOT 1 1H24 TOT 4 7.346 0.267 3.004
206 2H27 TOT 1 2H24 TOT 4 7.627 0.767 1.314
207 1H28 TOT 1 1H31 TOT 3 8.232 -0.930 -0.115
208 2H28 TOT 1 2H31 TOT 3 8.292 -2.691 -0.222
209 3H28 TOT 1 3H31 TOT 3 6.886 -1.819 -0.837
210 1H29 TOT 1 1H32 TOT 3 8.551 -3.080 2.152
211 2H29 TOT 1 2H32 TOT 3 8.775 -1.339 2.234
212 3H29 TOT 1 3H32 TOT 3 7.595 -2.133 3.298
213 H31 TOT 1 H1 TOT 7 -0.705 4.607 -6.464
214 H32 TOT 1 H2 TOT 7 -2.664 4.820 -7.932
215 H33 TOT 1 H3 TOT 7 -4.927 5.136 -6.934
216 H34 TOT 1 H4 TOT 7 -5.205 5.172 -4.499
217 1H36 TOT 1 1H6 TOT 7 -4.629 5.891 -1.474
218 2H36 TOT 1 2H6 TOT 7 -5.114 4.456 -2.385
219 3H36 TOT 1 3H6 TOT 7 -4.117 4.263 -0.963
220 H38 TOT 1 H8 TOT 7 -2.414 5.428 -0.226
221 H43 TOT 1 H13 TOT 6 1.857 6.764 3.738
222 H44 TOT 1 H14 TOT 6 -0.162 6.935 5.083
223 H45 TOT 1 H15 TOT 6 -2.319 6.194 4.152
224 H46 TOT 1 H16 TOT 6 -2.506 5.616 1.779
225 H49 TOT 1 H9 TOT 6 1.059 4.671 -1.605
226 H50 TOT 1 H10 TOT 6 3.062 4.713 -0.245
227 1H52 TOT 1 1H19 TOT 5 3.306 5.355 3.271
228 2H52 TOT 1 2H19 TOT 5 3.897 6.063 1.771
229 1H53 TOT 1 1H20 TOT 5 3.634 3.114 1.894
230 2H53 TOT 1 2H20 TOT 5 4.732 4.125 0.925
231 1H54 TOT 1 1H21 TOT 5 5.745 4.872 3.171
232 2H54 TOT 1 2H21 TOT 5 4.780 3.572 3.873
233 1H56 TOT 1 1H23 TOT 5 5.356 1.761 1.278
234 2H56 TOT 1 2H23 TOT 5 5.109 1.293 2.964
235 1H58 TOT 1 1H31 TOT 5 8.101 2.191 3.807
236 2H58 TOT 1 2H31 TOT 5 6.577 2.260 4.711
237 3H58 TOT 1 3H31 TOT 5 7.472 3.740 4.353
238 1H59 TOT 1 1H32 TOT 5 6.857 3.532 0.686
239 2H59 TOT 1 2H32 TOT 5 8.242 2.897 1.572
240 3H59 TOT 1 3H32 TOT 5 7.637 4.505 1.941
Start of MODEL 14
Raw file had 240 H/Q atoms
Start of MODEL 15
1 1H5* C 1 1H5' C 1 -10.967 -14.609 -4.207
2 2H5* C 1 2H5' C 1 -9.267 -14.827 -4.672
3 H4* C 1 H4' C 1 -10.499 -15.737 -2.036
4 H3* C 1 H3' C 1 -9.631 -13.051 -2.808
5 1H2* C 1 1H2' C 1 -7.584 -13.273 -0.945
6 2H2* C 1 2H2' C 1 -7.366 -13.488 -2.637
7 H1* C 1 H1' C 1 -7.836 -15.661 -0.559
8 1H4 C 1 1H4 C 1 -2.031 -15.900 -4.036
9 2H4 C 1 2H4 C 1 -1.595 -15.538 -2.377
10 H5 C 1 H5 C 1 -4.394 -15.948 -4.789
11 H6 C 1 H6 C 1 -6.683 -15.777 -4.055
12 H5* C 1 H5' C 1 -11.104 -16.880 -3.984
13 1H5* G 2 1H5' G 2 -7.963 -14.064 1.004
14 2H5* G 2 2H5' G 2 -9.439 -13.783 1.859
15 H4* G 2 H4' G 2 -7.738 -13.623 3.499
16 H3* G 2 H3' G 2 -9.218 -11.284 3.129
17 1H2* G 2 1H2' G 2 -7.169 -9.575 3.049
18 2H2* G 2 2H2' G 2 -7.624 -10.362 1.559
19 H1* G 2 H1' G 2 -5.432 -11.303 3.499
20 H8 G 2 H8 G 2 -6.351 -10.877 -0.349
21 H1 G 2 H1 G 2 -0.054 -10.688 0.912
22 1H2 G 2 1H2 G 2 -1.025 -11.225 4.244
23 2H2 G 2 2H2 G 2 0.299 -10.943 3.132
24 1H5* C 3 1H5' C 3 -5.375 -10.897 5.730
25 2H5* C 3 2H5' C 3 -5.731 -10.011 7.245
26 H4* C 3 H4' C 3 -3.522 -9.425 6.552
27 H3* C 3 H3' C 3 -5.578 -7.263 6.043
28 1H2* C 3 1H2' C 3 -3.006 -6.235 4.995
29 2H2* C 3 2H2' C 3 -4.549 -6.421 4.288
30 H1* C 3 H1' C 3 -2.160 -8.388 4.714
31 1H4 C 3 1H4 C 3 -3.794 -7.044 -1.691
32 2H4 C 3 2H4 C 3 -2.043 -6.974 -1.575
33 H5 C 3 H5 C 3 -5.257 -7.320 0.503
34 H6 C 3 H6 C 3 -5.164 -8.191 2.541
35 1H5* T 4 1H5' T 4 -3.050 -3.249 8.988
36 2H5* T 4 2H5' T 4 -4.143 -2.719 7.692
37 H4* T 4 H4' T 4 -1.125 -2.978 7.418
38 H3* T 4 H3' T 4 -2.654 -0.867 8.713
39 1H2* T 4 1H2' T 4 -1.875 0.874 6.683
40 2H2* T 4 2H2' T 4 -3.455 0.058 6.720
41 H1* T 4 H1' T 4 -0.859 -0.981 5.455
42 H3 T 4 H3 T 4 -1.870 -0.431 1.077
43 1H5M T 4 1H5M T 4 -6.570 -0.979 3.735
44 2H5M T 4 2H5M T 4 -6.466 0.461 2.702
45 3H5M T 4 3H5M T 4 -6.462 -1.159 1.976
46 H6 T 4 H6 T 4 -4.606 -0.768 4.991
47 1H5* A 5 1H5' A 5 1.977 0.511 7.075
48 2H5* A 5 2H5' A 5 2.379 1.592 8.462
49 H4* A 5 H4' A 5 3.406 2.388 6.541
50 H3* A 5 H3' A 5 1.565 3.853 8.239
51 1H2* A 5 1H2' A 5 0.413 5.057 6.359
52 2H2* A 5 2H2' A 5 -0.176 3.483 6.765
53 H1* A 5 H1' A 5 1.745 4.148 4.385
54 H8 A 5 H8 A 5 -1.882 3.455 5.378
55 1H6 A 5 1H6 A 5 -2.799 1.975 -0.536
56 2H6 A 5 2H6 A 5 -3.542 2.482 0.967
57 H2 A 5 H2 A 5 1.601 1.682 0.292
58 1H5* G 6 1H5' G 6 3.278 7.026 5.874
59 2H5* G 6 2H5' G 6 4.272 5.672 5.213
60 H4* G 6 H4' G 6 5.824 6.984 4.296
61 H3* G 6 H3' G 6 5.680 8.659 6.464
62 1H2* G 6 1H2' G 6 4.203 10.700 5.470
63 2H2* G 6 2H2' G 6 3.422 9.219 6.122
64 H1* G 6 H1' G 6 4.330 9.704 3.179
65 H8 G 6 H8 G 6 1.271 10.047 5.387
66 H1 G 6 H1 G 6 -0.173 8.459 -0.650
67 1H2 G 6 1H2 G 6 3.269 7.845 -0.952
68 2H2 G 6 2H2 G 6 1.710 7.864 -1.754
69 1H5* C 7 1H5' C 7 6.566 8.052 2.216
70 2H5* C 7 2H5' C 7 8.163 8.168 1.458
71 H4* C 7 H4' C 7 6.599 8.705 -0.212
72 H3* C 7 H3' C 7 8.349 10.866 0.608
73 1H2* C 7 1H2' C 7 6.389 12.746 0.155
74 2H2* C 7 2H2' C 7 6.516 11.938 1.714
75 H1* C 7 H1' C 7 4.997 10.834 -0.718
76 1H4 C 7 1H4 C 7 -0.014 13.309 3.012
77 2H4 C 7 2H4 C 7 -0.689 12.690 1.517
78 H5 C 7 H5 C 7 2.442 13.269 3.460
79 H6 C 7 H6 C 7 4.547 12.544 2.641
80 1H5* G 8 1H5' G 8 5.692 12.513 -1.963
81 2H5* G 8 2H5' G 8 5.254 11.606 -3.433
82 H4* G 8 H4' G 8 5.223 13.484 -4.785
83 H3* G 8 H3' G 8 6.157 14.921 -2.233
84 1H2* G 8 1H2' G 8 4.472 16.435 -4.212
85 2H2* G 8 2H2' G 8 4.415 16.454 -2.426
86 H1* G 8 H1' G 8 2.939 14.617 -4.361
87 H8 G 8 H8 G 8 3.678 14.809 -0.536
88 H1 G 8 H1 G 8 -2.562 15.484 -1.893
89 1H2 G 8 1H2 G 8 -1.512 15.380 -5.240
90 2H2 G 8 2H2 G 8 -2.858 15.545 -4.133
91 H3T G 8 HO3 G 8 7.007 16.356 -3.840
92 1H5* C 1 1H5' C 1 -11.468 16.328 -2.500
93 2H5* C 1 2H5' C 1 -10.241 16.556 -1.236
94 H4* C 1 H4' C 1 -9.879 17.259 -4.180
95 H3* C 1 H3' C 1 -9.701 14.641 -2.885
96 1H2* C 1 1H2' C 1 -6.975 14.657 -3.447
97 2H2* C 1 2H2' C 1 -7.643 15.018 -1.903
98 H1* C 1 H1' C 1 -6.864 17.020 -4.063
99 1H4 C 1 1H4 C 1 -3.600 17.506 1.843
100 2H4 C 1 2H4 C 1 -2.404 17.010 0.661
101 H5 C 1 H5 C 1 -6.016 17.623 1.293
102 H6 C 1 H6 C 1 -7.629 17.404 -0.485
103 H5* C 1 H5' C 1 -10.253 18.785 -1.776
104 1H5* G 2 1H5' G 2 -6.285 15.304 -5.368
105 2H5* G 2 2H5' G 2 -7.138 14.977 -6.836
106 H4* G 2 H4' G 2 -4.837 14.718 -7.349
107 H3* G 2 H3' G 2 -6.390 12.433 -7.735
108 1H2* G 2 1H2' G 2 -4.766 10.690 -6.555
109 2H2* G 2 2H2' G 2 -5.895 11.546 -5.538
110 H1* G 2 H1' G 2 -2.974 12.336 -6.048
111 H8 G 2 H8 G 2 -5.807 12.159 -3.269
112 H1 G 2 H1 G 2 0.182 11.817 -0.972
113 1H2 G 2 1H2 G 2 1.155 12.071 -4.330
114 2H2 G 2 2H2 G 2 1.666 11.837 -2.671
115 1H5* C 3 1H5' C 3 -1.787 11.934 -7.935
116 2H5* C 3 2H5' C 3 -1.268 10.956 -9.341
117 H4* C 3 H4' C 3 0.177 10.540 -7.444
118 H3* C 3 H3' C 3 -1.672 8.274 -8.206
119 1H2* C 3 1H2' C 3 -0.197 7.370 -5.778
120 2H2* C 3 2H2' C 3 -1.865 7.483 -6.157
121 H1* C 3 H1' C 3 0.248 9.555 -5.157
122 1H4 C 3 1H4 C 3 -4.673 8.195 -0.756
123 2H4 C 3 2H4 C 3 -3.147 8.188 0.117
124 H5 C 3 H5 C 3 -4.659 8.377 -3.423
125 H6 C 3 H6 C 3 -3.449 9.188 -5.087
126 1H5* T 4 1H5' T 4 2.507 4.541 -8.712
127 2H5* T 4 2H5' T 4 0.920 3.847 -8.314
128 H4* T 4 H4' T 4 3.055 4.558 -6.266
129 H3* T 4 H3' T 4 2.886 2.235 -8.048
130 1H2* T 4 1H2' T 4 2.661 0.680 -5.733
131 2H2* T 4 2H2' T 4 1.293 1.123 -6.780
132 H1* T 4 H1' T 4 2.362 2.685 -4.360
133 H3 T 4 H3 T 4 -0.996 1.761 -1.453
134 1H5M T 4 1H5M T 4 -3.565 0.387 -5.434
135 2H5M T 4 2H5M T 4 -4.119 2.018 -5.003
136 3H5M T 4 3H5M T 4 -3.121 1.778 -6.446
137 H6 T 4 H6 T 4 -0.792 1.829 -6.237
138 1H5* A 5 1H5' A 5 5.433 1.429 -3.993
139 2H5* A 5 2H5' A 5 6.937 0.659 -4.654
140 H4* A 5 H4' A 5 6.641 -0.353 -2.676
141 H3* A 5 H3' A 5 6.278 -1.796 -5.094
142 1H2* A 5 1H2' A 5 3.995 -1.347 -4.595
143 2H2* A 5 2H2' A 5 3.947 -2.858 -4.687
144 H1* A 5 H1' A 5 4.013 -2.243 -1.956
145 H8 A 5 H8 A 5 1.635 -1.589 -4.887
146 1H6 A 5 1H6 A 5 -2.701 -1.107 -0.586
147 2H6 A 5 2H6 A 5 -2.341 -1.128 -2.299
148 H2 A 5 H2 A 5 1.281 -1.172 1.505
149 1H5* G 6 1H5' G 6 6.529 -5.282 -2.772
150 2H5* G 6 2H5' G 6 7.043 -4.184 -1.386
151 H4* G 6 H4' G 6 7.718 -5.694 -0.106
152 H3* G 6 H3' G 6 8.735 -6.899 -2.425
153 1H2* G 6 1H2' G 6 7.134 -9.183 -2.341
154 2H2* G 6 2H2' G 6 6.732 -7.678 -3.226
155 H1* G 6 H1' G 6 5.935 -8.442 -0.331
156 H8 G 6 H8 G 6 4.494 -8.121 -3.865
157 H1 G 6 H1 G 6 0.064 -7.546 0.720
158 1H2 G 6 1H2 G 6 2.844 -7.313 2.876
159 2H2 G 6 2H2 G 6 1.096 -7.319 2.746
160 1H5* C 7 1H5' C 7 6.986 -6.951 2.251
161 2H5* C 7 2H5' C 7 8.132 -7.824 3.293
162 H4* C 7 H4' C 7 5.768 -8.184 3.917
163 H3* C 7 H3' C 7 7.751 -10.268 3.622
164 1H2* C 7 1H2' C 7 5.820 -12.070 2.782
165 2H2* C 7 2H2' C 7 6.731 -11.100 1.660
166 H1* C 7 H1' C 7 4.164 -10.252 3.143
167 1H4 C 7 1H4 C 7 1.808 -11.614 -2.998
168 2H4 C 7 2H4 C 7 0.454 -11.204 -1.962
169 H5 C 7 H5 C 7 4.149 -11.718 -2.118
170 H6 C 7 H6 C 7 5.522 -11.312 -0.233
171 1H5* G 8 1H5' G 8 4.219 -12.102 4.343
172 2H5* G 8 2H5' G 8 3.184 -11.328 5.572
173 H4* G 8 H4' G 8 2.398 -13.328 6.417
174 H3* G 8 H3' G 8 4.391 -14.565 4.431
175 1H2* G 8 1H2' G 8 1.874 -16.079 5.078
176 2H2* G 8 2H2' G 8 2.706 -15.880 3.510
177 H1* G 8 H1' G 8 0.560 -14.115 4.764
178 H8 G 8 H8 G 8 3.089 -13.947 1.795
179 H1 G 8 H1 G 8 -3.023 -14.130 -0.162
180 1H2 G 8 1H2 G 8 -3.767 -14.435 3.253
181 2H2 G 8 2H2 G 8 -4.393 -14.374 1.620
182 H3T G 8 HO3 G 8 4.635 -14.913 6.709
183 H1 TOT 1 H1 TOT 1 -4.259 -3.557 4.932
184 H2 TOT 1 H2 TOT 1 -6.692 -3.900 4.994
185 H3 TOT 1 H3 TOT 1 -7.939 -4.289 2.872
186 H4 TOT 1 H4 TOT 1 -6.751 -4.279 0.725
187 1H6 TOT 1 1H6 TOT 1 -5.479 -3.454 -0.940
188 2H6 TOT 1 2H6 TOT 1 -4.545 -4.900 -1.370
189 3H6 TOT 1 3H6 TOT 1 -3.850 -3.264 -1.545
190 H8 TOT 1 H8 TOT 1 -1.988 -4.339 -1.145
191 H13 TOT 1 H13 TOT 2 4.030 -4.797 -2.076
192 H14 TOT 1 H14 TOT 2 2.978 -5.496 -4.100
193 H15 TOT 1 H15 TOT 2 0.718 -4.709 -4.618
194 H16 TOT 1 H16 TOT 2 -0.816 -4.156 -2.785
195 H19 TOT 1 H9 TOT 2 -0.084 -4.741 2.121
196 H20 TOT 1 H10 TOT 2 2.275 -4.387 2.311
197 1H22 TOT 1 1H19 TOT 3 4.079 -3.938 1.808
198 2H22 TOT 1 2H19 TOT 3 4.315 -5.069 0.605
199 1H23 TOT 1 1H20 TOT 3 4.414 -2.052 0.228
200 2H23 TOT 1 2H20 TOT 3 5.295 -3.250 -0.772
201 1H24 TOT 1 1H21 TOT 3 6.767 -3.833 1.016
202 2H24 TOT 1 2H21 TOT 3 5.820 -2.982 2.206
203 1H26 TOT 1 1H23 TOT 3 5.726 -0.217 0.329
204 2H26 TOT 1 2H23 TOT 3 5.355 -0.744 1.975
205 1H27 TOT 1 1H24 TOT 4 7.173 0.491 2.896
206 2H27 TOT 1 2H24 TOT 4 7.758 0.987 1.294
207 1H28 TOT 1 1H31 TOT 3 7.002 -1.699 -1.007
208 2H28 TOT 1 2H31 TOT 3 8.305 -0.742 -0.295
209 3H28 TOT 1 3H31 TOT 3 8.403 -2.508 -0.304
210 1H29 TOT 1 1H32 TOT 3 8.584 -2.783 2.074
211 2H29 TOT 1 2H32 TOT 3 8.791 -1.037 2.098
212 3H29 TOT 1 3H32 TOT 3 7.589 -1.804 3.157
213 H31 TOT 1 H1 TOT 7 -1.028 4.617 -6.396
214 H32 TOT 1 H2 TOT 7 -2.996 4.841 -7.848
215 H33 TOT 1 H3 TOT 7 -5.245 5.206 -6.833
216 H34 TOT 1 H4 TOT 7 -5.505 5.247 -4.399
217 1H36 TOT 1 1H6 TOT 7 -4.857 5.952 -1.336
218 2H36 TOT 1 2H6 TOT 7 -5.422 4.574 -2.292
219 3H36 TOT 1 3H6 TOT 7 -4.409 4.281 -0.897
220 H38 TOT 1 H8 TOT 7 -2.685 5.423 -0.133
221 H43 TOT 1 H13 TOT 6 1.679 6.833 3.753
222 H44 TOT 1 H14 TOT 6 -0.319 7.130 5.095
223 H45 TOT 1 H15 TOT 6 -2.515 6.437 4.203
224 H46 TOT 1 H16 TOT 6 -2.742 5.796 1.849
225 H49 TOT 1 H9 TOT 6 0.743 4.634 -1.542
226 H50 TOT 1 H10 TOT 6 2.775 4.687 -0.231
227 1H52 TOT 1 1H19 TOT 5 3.112 5.533 3.294
228 2H52 TOT 1 2H19 TOT 5 3.679 6.017 1.718
229 1H53 TOT 1 1H20 TOT 5 3.388 3.244 2.881
230 2H53 TOT 1 2H20 TOT 5 3.883 3.509 1.200
231 1H54 TOT 1 1H21 TOT 5 5.835 4.779 1.893
232 2H54 TOT 1 2H21 TOT 5 5.330 4.785 3.550
233 1H56 TOT 1 1H23 TOT 5 5.977 2.398 0.891
234 2H56 TOT 1 2H23 TOT 5 4.886 1.534 1.976
235 1H58 TOT 1 1H31 TOT 5 6.348 1.572 4.579
236 2H58 TOT 1 2H31 TOT 5 4.688 2.068 4.264
237 3H58 TOT 1 3H31 TOT 5 5.821 3.179 5.038
238 1H59 TOT 1 1H32 TOT 5 7.690 4.163 3.698
239 2H59 TOT 1 2H32 TOT 5 7.902 3.659 2.014
240 3H59 TOT 1 3H32 TOT 5 8.189 2.513 3.332
Start of MODEL 15
Raw file had 240 H/Q atoms
Start of MODEL 16
1 1H5* C 1 1H5' C 1 -11.970 -13.341 -3.963
2 2H5* C 1 2H5' C 1 -10.336 -13.747 -4.529
3 H4* C 1 H4' C 1 -11.531 -14.599 -1.857
4 H3* C 1 H3' C 1 -10.392 -12.005 -2.595
5 1H2* C 1 1H2' C 1 -8.294 -12.531 -0.857
6 2H2* C 1 2H2' C 1 -8.190 -12.707 -2.564
7 H1* C 1 H1' C 1 -8.804 -14.883 -0.527
8 1H4 C 1 1H4 C 1 -3.231 -15.526 -4.329
9 2H4 C 1 2H4 C 1 -2.681 -15.252 -2.687
10 H5 C 1 H5 C 1 -5.630 -15.358 -4.948
11 H6 C 1 H6 C 1 -7.852 -15.009 -4.082
12 H5* C 1 H5' C 1 -10.923 -15.953 -4.311
13 1H5* G 2 1H5' G 2 -8.652 -13.340 1.089
14 2H5* G 2 2H5' G 2 -10.039 -12.919 2.031
15 H4* G 2 H4' G 2 -8.249 -13.011 3.580
16 H3* G 2 H3' G 2 -9.469 -10.507 3.347
17 1H2* G 2 1H2' G 2 -7.234 -9.041 3.224
18 2H2* G 2 2H2' G 2 -7.854 -9.716 1.738
19 H1* G 2 H1' G 2 -5.695 -10.972 3.531
20 H8 G 2 H8 G 2 -6.756 -10.325 -0.248
21 H1 G 2 H1 G 2 -0.410 -10.670 0.695
22 1H2 G 2 1H2 G 2 -1.252 -11.314 4.039
23 2H2 G 2 2H2 G 2 0.032 -11.074 2.872
24 1H5* C 3 1H5' C 3 -5.499 -10.635 5.768
25 2H5* C 3 2H5' C 3 -5.725 -9.807 7.340
26 H4* C 3 H4' C 3 -3.495 -9.382 6.645
27 H3* C 3 H3' C 3 -5.347 -7.026 6.270
28 1H2* C 3 1H2' C 3 -2.773 -6.152 5.133
29 2H2* C 3 2H2' C 3 -4.346 -6.268 4.468
30 H1* C 3 H1' C 3 -2.064 -8.373 4.825
31 1H4 C 3 1H4 C 3 -3.632 -6.795 -1.543
32 2H4 C 3 2H4 C 3 -1.880 -6.829 -1.432
33 H5 C 3 H5 C 3 -5.105 -7.033 0.645
34 H6 C 3 H6 C 3 -5.056 -7.954 2.668
35 1H5* T 4 1H5' T 4 -2.583 -3.247 9.186
36 2H5* T 4 2H5' T 4 -3.719 -2.677 7.945
37 H4* T 4 H4' T 4 -0.720 -2.994 7.547
38 H3* T 4 H3' T 4 -2.136 -0.862 8.931
39 1H2* T 4 1H2' T 4 -1.437 0.887 6.883
40 2H2* T 4 2H2' T 4 -3.020 0.078 6.970
41 H1* T 4 H1' T 4 -0.473 -0.983 5.625
42 H3 T 4 H3 T 4 -1.535 -0.386 1.275
43 1H5M T 4 1H5M T 4 -6.213 -0.758 4.000
44 2H5M T 4 2H5M T 4 -6.058 0.699 2.998
45 3H5M T 4 3H5M T 4 -6.142 -0.901 2.236
46 H6 T 4 H6 T 4 -4.220 -0.639 5.231
47 1H5* A 5 1H5' A 5 2.446 0.379 7.039
48 2H5* A 5 2H5' A 5 2.945 1.459 8.396
49 H4* A 5 H4' A 5 3.923 2.210 6.444
50 H3* A 5 H3' A 5 2.177 3.748 8.175
51 1H2* A 5 1H2' A 5 0.986 4.958 6.339
52 2H2* A 5 2H2' A 5 0.378 3.393 6.752
53 H1* A 5 H1' A 5 2.269 4.025 4.347
54 H8 A 5 H8 A 5 -1.357 3.352 5.386
55 1H6 A 5 1H6 A 5 -2.333 1.931 -0.555
56 2H6 A 5 2H6 A 5 -3.077 2.396 0.962
57 H2 A 5 H2 A 5 2.075 1.712 0.227
58 1H5* G 6 1H5' G 6 3.767 7.008 5.938
59 2H5* G 6 2H5' G 6 4.866 5.792 5.138
60 H4* G 6 H4' G 6 6.332 7.235 4.415
61 H3* G 6 H3' G 6 5.993 8.682 6.734
62 1H2* G 6 1H2' G 6 4.660 10.869 5.660
63 2H2* G 6 2H2' G 6 3.855 9.413 6.251
64 H1* G 6 H1' G 6 4.669 10.019 3.362
65 H8 G 6 H8 G 6 1.603 9.936 5.614
66 H1 G 6 H1 G 6 0.291 8.518 -0.494
67 1H2 G 6 1H2 G 6 3.763 8.113 -0.801
68 2H2 G 6 2H2 G 6 2.208 8.064 -1.607
69 1H5* C 7 1H5' C 7 7.107 9.250 2.539
70 2H5* C 7 2H5' C 7 8.463 10.338 2.198
71 H4* C 7 H4' C 7 7.052 9.900 0.237
72 H3* C 7 H3' C 7 7.986 12.463 1.031
73 1H2* C 7 1H2' C 7 5.626 13.746 0.493
74 2H2* C 7 2H2' C 7 5.893 12.974 2.034
75 H1* C 7 H1' C 7 4.815 11.585 -0.505
76 1H4 C 7 1H4 C 7 -0.731 12.952 3.040
77 2H4 C 7 2H4 C 7 -1.224 12.408 1.449
78 H5 C 7 H5 C 7 1.681 13.117 3.694
79 H6 C 7 H6 C 7 3.880 12.790 2.983
80 1H5* G 8 1H5' G 8 5.105 13.414 -1.647
81 2H5* G 8 2H5' G 8 4.862 12.553 -3.182
82 H4* G 8 H4' G 8 4.612 14.513 -4.417
83 H3* G 8 H3' G 8 5.132 15.865 -1.702
84 1H2* G 8 1H2' G 8 3.373 17.255 -3.706
85 2H2* G 8 2H2' G 8 3.185 17.116 -1.934
86 H1* G 8 H1' G 8 2.178 15.233 -4.109
87 H8 G 8 H8 G 8 2.563 15.231 -0.234
88 H1 G 8 H1 G 8 -3.573 15.167 -2.137
89 1H2 G 8 1H2 G 8 -2.223 15.381 -5.369
90 2H2 G 8 2H2 G 8 -3.673 15.292 -4.393
91 H3T G 8 HO3 G 8 5.857 17.539 -3.133
92 1H5* C 1 1H5' C 1 -12.384 14.556 -3.432
93 2H5* C 1 2H5' C 1 -11.311 15.007 -2.090
94 H4* C 1 H4' C 1 -10.865 15.741 -5.015
95 H3* C 1 H3' C 1 -10.324 13.204 -3.658
96 1H2* C 1 1H2' C 1 -7.613 13.701 -4.027
97 2H2* C 1 2H2' C 1 -8.442 13.943 -2.541
98 H1* C 1 H1' C 1 -7.869 16.033 -4.682
99 1H4 C 1 1H4 C 1 -5.164 16.960 1.459
100 2H4 C 1 2H4 C 1 -3.824 16.651 0.372
101 H5 C 1 H5 C 1 -7.524 16.744 0.722
102 H6 C 1 H6 C 1 -8.948 16.305 -1.172
103 H5* C 1 H5' C 1 -11.675 17.195 -2.674
104 1H5* G 2 1H5' G 2 -6.901 14.423 -5.896
105 2H5* G 2 2H5' G 2 -7.533 13.911 -7.420
106 H4* G 2 H4' G 2 -5.182 14.033 -7.712
107 H3* G 2 H3' G 2 -6.294 11.495 -8.099
108 1H2* G 2 1H2' G 2 -4.477 10.109 -6.713
109 2H2* G 2 2H2' G 2 -5.822 10.795 -5.832
110 H1* G 2 H1' G 2 -3.057 12.090 -6.189
111 H8 G 2 H8 G 2 -6.012 11.498 -3.594
112 H1 G 2 H1 G 2 -0.176 11.875 -0.942
113 1H2 G 2 1H2 G 2 0.944 12.388 -4.223
114 2H2 G 2 2H2 G 2 1.387 12.157 -2.544
115 1H5* C 3 1H5' C 3 -1.643 11.744 -7.927
116 2H5* C 3 2H5' C 3 -0.937 10.872 -9.321
117 H4* C 3 H4' C 3 0.536 10.583 -7.469
118 H3* C 3 H3' C 3 -1.108 8.143 -8.142
119 1H2* C 3 1H2' C 3 0.405 7.391 -5.721
120 2H2* C 3 2H2' C 3 -1.274 7.435 -6.071
121 H1* C 3 H1' C 3 0.728 9.640 -5.131
122 1H4 C 3 1H4 C 3 -4.082 7.956 -0.712
123 2H4 C 3 2H4 C 3 -2.560 8.038 0.162
124 H5 C 3 H5 C 3 -4.093 8.155 -3.368
125 H6 C 3 H6 C 3 -2.935 9.100 -5.027
126 1H5* T 4 1H5' T 4 3.146 4.583 -8.618
127 2H5* T 4 2H5' T 4 1.548 3.889 -8.272
128 H4* T 4 H4' T 4 3.633 4.563 -6.163
129 H3* T 4 H3' T 4 3.528 2.270 -7.972
130 1H2* T 4 1H2' T 4 3.131 0.652 -5.731
131 2H2* T 4 2H2' T 4 1.823 1.181 -6.812
132 H1* T 4 H1' T 4 2.872 2.641 -4.320
133 H3 T 4 H3 T 4 -0.559 1.765 -1.488
134 1H5M T 4 1H5M T 4 -2.584 1.750 -6.519
135 2H5M T 4 2H5M T 4 -2.986 0.318 -5.549
136 3H5M T 4 3H5M T 4 -3.619 1.913 -5.091
137 H6 T 4 H6 T 4 -0.251 1.833 -6.269
138 1H5* A 5 1H5' A 5 5.865 1.362 -3.736
139 2H5* A 5 2H5' A 5 7.357 0.550 -4.373
140 H4* A 5 H4' A 5 7.006 -0.475 -2.425
141 H3* A 5 H3' A 5 6.618 -1.875 -4.865
142 1H2* A 5 1H2' A 5 4.346 -1.361 -4.374
143 2H2* A 5 2H2' A 5 4.251 -2.867 -4.493
144 H1* A 5 H1' A 5 4.340 -2.309 -1.752
145 H8 A 5 H8 A 5 1.979 -1.526 -4.677
146 1H6 A 5 1H6 A 5 -2.358 -0.979 -0.376
147 2H6 A 5 2H6 A 5 -1.993 -0.961 -2.088
148 H2 A 5 H2 A 5 1.612 -1.251 1.723
149 1H5* G 6 1H5' G 6 6.729 -5.397 -2.637
150 2H5* G 6 2H5' G 6 7.263 -4.372 -1.194
151 H4* G 6 H4' G 6 7.903 -5.939 0.027
152 H3* G 6 H3' G 6 8.904 -7.118 -2.274
153 1H2* G 6 1H2' G 6 7.242 -9.365 -2.266
154 2H2* G 6 2H2' G 6 6.877 -7.839 -3.071
155 H1* G 6 H1' G 6 6.006 -8.690 -0.258
156 H8 G 6 H8 G 6 4.631 -8.160 -3.788
157 H1 G 6 H1 G 6 0.199 -7.570 0.804
158 1H2 G 6 1H2 G 6 2.977 -7.587 2.978
159 2H2 G 6 2H2 G 6 1.233 -7.498 2.846
160 1H5* C 7 1H5' C 7 7.581 -8.146 1.758
161 2H5* C 7 2H5' C 7 8.581 -9.296 2.661
162 H4* C 7 H4' C 7 6.342 -9.049 3.610
163 H3* C 7 H3' C 7 7.628 -11.541 3.101
164 1H2* C 7 1H2' C 7 5.345 -12.770 2.212
165 2H2* C 7 2H2' C 7 6.348 -11.852 1.121
166 H1* C 7 H1' C 7 4.095 -10.698 2.889
167 1H4 C 7 1H4 C 7 1.235 -11.297 -3.168
168 2H4 C 7 2H4 C 7 -0.034 -10.979 -2.003
169 H5 C 7 H5 C 7 3.628 -11.505 -2.497
170 H6 C 7 H6 C 7 5.129 -11.424 -0.703
171 1H5* G 8 1H5' G 8 3.813 -12.643 3.862
172 2H5* G 8 2H5' G 8 2.870 -11.878 5.164
173 H4* G 8 H4' G 8 1.953 -13.879 5.896
174 H3* G 8 H3' G 8 3.741 -15.096 3.708
175 1H2* G 8 1H2' G 8 1.146 -16.458 4.388
176 2H2* G 8 2H2' G 8 1.908 -16.198 2.793
177 H1* G 8 H1' G 8 -0.009 -14.376 4.308
178 H8 G 8 H8 G 8 2.347 -14.165 1.209
179 H1 G 8 H1 G 8 -3.872 -13.822 -0.359
180 1H2 G 8 1H2 G 8 -4.421 -14.266 3.078
181 2H2 G 8 2H2 G 8 -5.142 -14.062 1.496
182 H3T G 8 HO3 G 8 2.602 -16.123 6.118
183 H1 TOT 1 H1 TOT 1 -3.961 -3.441 5.116
184 H2 TOT 1 H2 TOT 1 -6.409 -3.661 5.182
185 H3 TOT 1 H3 TOT 1 -7.681 -3.947 3.059
186 H4 TOT 1 H4 TOT 1 -6.502 -3.949 0.907
187 1H6 TOT 1 1H6 TOT 1 -3.565 -3.019 -1.353
188 2H6 TOT 1 2H6 TOT 1 -5.199 -3.163 -0.751
189 3H6 TOT 1 3H6 TOT 1 -4.320 -4.631 -1.220
190 H8 TOT 1 H8 TOT 1 -1.747 -4.180 -0.987
191 H13 TOT 1 H13 TOT 2 4.253 -4.863 -1.921
192 H14 TOT 1 H14 TOT 2 3.199 -5.486 -3.954
193 H15 TOT 1 H15 TOT 2 0.961 -4.618 -4.468
194 H16 TOT 1 H16 TOT 2 -0.567 -4.065 -2.627
195 H19 TOT 1 H9 TOT 2 0.127 -4.814 2.263
196 H20 TOT 1 H10 TOT 2 2.505 -4.578 2.464
197 1H22 TOT 1 1H19 TOT 3 4.361 -4.333 1.988
198 2H22 TOT 1 2H19 TOT 3 4.488 -5.282 0.641
199 1H23 TOT 1 1H20 TOT 3 4.633 -2.260 0.521
200 2H23 TOT 1 2H20 TOT 3 5.532 -3.391 -0.536
201 1H24 TOT 1 1H21 TOT 3 7.005 -4.049 1.226
202 2H24 TOT 1 2H21 TOT 3 6.038 -3.260 2.452
203 1H26 TOT 1 1H23 TOT 3 5.842 -0.468 0.785
204 2H26 TOT 1 2H23 TOT 3 5.667 -0.993 2.464
205 1H27 TOT 1 1H24 TOT 4 7.619 0.300 3.126
206 2H27 TOT 1 2H24 TOT 4 7.899 0.785 1.432
207 1H28 TOT 1 1H31 TOT 3 8.558 -2.673 -0.088
208 2H28 TOT 1 2H31 TOT 3 7.159 -1.790 -0.704
209 3H28 TOT 1 3H31 TOT 3 8.509 -0.912 0.021
210 1H29 TOT 1 1H32 TOT 3 7.860 -2.102 3.433
211 2H29 TOT 1 2H32 TOT 3 8.820 -3.052 2.292
212 3H29 TOT 1 3H32 TOT 3 9.042 -1.311 2.369
213 H31 TOT 1 H1 TOT 7 -0.470 4.639 -6.332
214 H32 TOT 1 H2 TOT 7 -2.454 4.726 -7.780
215 H33 TOT 1 H3 TOT 7 -4.715 4.976 -6.762
216 H34 TOT 1 H4 TOT 7 -4.972 5.006 -4.328
217 1H36 TOT 1 1H6 TOT 7 -4.317 5.752 -1.217
218 2H36 TOT 1 2H6 TOT 7 -4.872 4.398 -2.212
219 3H36 TOT 1 3H6 TOT 7 -3.835 4.079 -0.843
220 H38 TOT 1 H8 TOT 7 -2.141 5.265 -0.062
221 H43 TOT 1 H13 TOT 6 2.186 6.841 3.806
222 H44 TOT 1 H14 TOT 6 0.197 7.060 5.161
223 H45 TOT 1 H15 TOT 6 -1.994 6.351 4.253
224 H46 TOT 1 H16 TOT 6 -2.208 5.776 1.885
225 H49 TOT 1 H9 TOT 6 1.324 4.659 -1.494
226 H50 TOT 1 H10 TOT 6 3.340 4.712 -0.152
227 1H52 TOT 1 1H19 TOT 5 3.613 5.412 3.352
228 2H52 TOT 1 2H19 TOT 5 4.199 6.090 1.833
229 1H53 TOT 1 1H20 TOT 5 3.912 3.146 2.026
230 2H53 TOT 1 2H20 TOT 5 5.005 4.123 1.016
231 1H54 TOT 1 1H21 TOT 5 6.044 4.925 3.236
232 2H54 TOT 1 2H21 TOT 5 5.087 3.637 3.973
233 1H56 TOT 1 1H23 TOT 5 5.628 1.784 1.394
234 2H56 TOT 1 2H23 TOT 5 5.392 1.338 3.087
235 1H58 TOT 1 1H31 TOT 5 8.393 2.231 3.898
236 2H58 TOT 1 2H31 TOT 5 6.876 2.318 4.811
237 3H58 TOT 1 3H31 TOT 5 7.776 3.789 4.431
238 1H59 TOT 1 1H32 TOT 5 7.134 3.539 0.769
239 2H59 TOT 1 2H32 TOT 5 8.524 2.909 1.653
240 3H59 TOT 1 3H32 TOT 5 7.929 4.524 2.005
Start of MODEL 16
Raw file had 240 H/Q atoms
Start of MODEL 17
1 1H5* C 1 1H5' C 1 -11.653 -13.762 -4.010
2 2H5* C 1 2H5' C 1 -10.001 -14.118 -4.553
3 H4* C 1 H4' C 1 -11.197 -14.984 -1.886
4 H3* C 1 H3' C 1 -10.136 -12.362 -2.637
5 1H2* C 1 1H2' C 1 -8.042 -12.801 -0.870
6 2H2* C 1 2H2' C 1 -7.913 -12.990 -2.575
7 H1* C 1 H1' C 1 -8.479 -15.166 -0.523
8 1H4 C 1 1H4 C 1 -2.845 -15.672 -4.256
9 2H4 C 1 2H4 C 1 -2.323 -15.365 -2.611
10 H5 C 1 H5 C 1 -5.241 -15.583 -4.904
11 H6 C 1 H6 C 1 -7.482 -15.294 -4.066
12 H5* C 1 H5' C 1 -10.516 -16.340 -4.320
13 1H5* G 2 1H5' G 2 -8.397 -13.603 1.079
14 2H5* G 2 2H5' G 2 -9.810 -13.221 2.000
15 H4* G 2 H4' G 2 -8.037 -13.243 3.571
16 H3* G 2 H3' G 2 -9.335 -10.783 3.307
17 1H2* G 2 1H2' G 2 -7.149 -9.245 3.198
18 2H2* G 2 2H2' G 2 -7.730 -9.950 1.710
19 H1* G 2 H1' G 2 -5.549 -11.121 3.535
20 H8 G 2 H8 G 2 -6.592 -10.536 -0.260
21 H1 G 2 H1 G 2 -0.249 -10.688 0.746
22 1H2 G 2 1H2 G 2 -1.104 -11.327 4.088
23 2H2 G 2 2H2 G 2 0.184 -11.061 2.931
24 1H5* C 3 1H5' C 3 -5.388 -10.768 5.771
25 2H5* C 3 2H5' C 3 -5.654 -9.934 7.334
26 H4* C 3 H4' C 3 -3.431 -9.447 6.655
27 H3* C 3 H3' C 3 -5.352 -7.152 6.248
28 1H2* C 3 1H2' C 3 -2.794 -6.208 5.128
29 2H2* C 3 2H2' C 3 -4.357 -6.373 4.450
30 H1* C 3 H1' C 3 -2.017 -8.407 4.840
31 1H4 C 3 1H4 C 3 -3.578 -6.911 -1.550
32 2H4 C 3 2H4 C 3 -1.827 -6.895 -1.425
33 H5 C 3 H5 C 3 -5.062 -7.182 0.628
34 H6 C 3 H6 C 3 -5.001 -8.091 2.655
35 1H5* T 4 1H5' T 4 -2.714 -3.279 9.172
36 2H5* T 4 2H5' T 4 -3.848 -2.744 7.914
37 H4* T 4 H4' T 4 -0.837 -2.982 7.558
38 H3* T 4 H3' T 4 -2.334 -0.885 8.909
39 1H2* T 4 1H2' T 4 -1.658 0.873 6.862
40 2H2* T 4 2H2' T 4 -3.217 0.020 6.934
41 H1* T 4 H1' T 4 -0.625 -0.971 5.623
42 H3 T 4 H3 T 4 -1.663 -0.438 1.255
43 1H5M T 4 1H5M T 4 -6.264 -1.059 2.180
44 2H5M T 4 2H5M T 4 -6.354 -0.907 3.943
45 3H5M T 4 3H5M T 4 -6.226 0.548 2.933
46 H6 T 4 H6 T 4 -4.376 -0.732 5.190
47 1H5* A 5 1H5' A 5 2.249 0.500 7.116
48 2H5* A 5 2H5' A 5 2.679 1.620 8.464
49 H4* A 5 H4' A 5 3.657 2.368 6.498
50 H3* A 5 H3' A 5 1.851 3.879 8.191
51 1H2* A 5 1H2' A 5 0.638 5.017 6.322
52 2H2* A 5 2H2' A 5 0.073 3.447 6.773
53 H1* A 5 H1' A 5 1.947 4.079 4.357
54 H8 A 5 H8 A 5 -1.658 3.277 5.418
55 1H6 A 5 1H6 A 5 -2.590 1.942 -0.548
56 2H6 A 5 2H6 A 5 -3.347 2.378 0.970
57 H2 A 5 H2 A 5 1.814 1.761 0.248
58 1H5* G 6 1H5' G 6 3.375 7.104 5.864
59 2H5* G 6 2H5' G 6 4.490 5.882 5.112
60 H4* G 6 H4' G 6 5.908 7.362 4.295
61 H3* G 6 H3' G 6 5.593 8.907 6.555
62 1H2* G 6 1H2' G 6 3.964 10.871 5.603
63 2H2* G 6 2H2' G 6 3.305 9.306 6.205
64 H1* G 6 H1' G 6 4.183 10.004 3.305
65 H8 G 6 H8 G 6 1.097 9.960 5.478
66 H1 G 6 H1 G 6 -0.157 8.456 -0.625
67 1H2 G 6 1H2 G 6 3.324 8.056 -0.873
68 2H2 G 6 2H2 G 6 1.782 7.976 -1.701
69 1H5* C 7 1H5' C 7 6.599 8.554 2.340
70 2H5* C 7 2H5' C 7 8.191 8.829 1.615
71 H4* C 7 H4' C 7 6.620 9.295 -0.063
72 H3* C 7 H3' C 7 8.145 11.579 0.889
73 1H2* C 7 1H2' C 7 6.033 13.277 0.392
74 2H2* C 7 2H2' C 7 6.183 12.460 1.943
75 H1* C 7 H1' C 7 4.856 11.267 -0.557
76 1H4 C 7 1H4 C 7 -0.485 13.204 3.029
77 2H4 C 7 2H4 C 7 -1.049 12.555 1.502
78 H5 C 7 H5 C 7 1.945 13.366 3.572
79 H6 C 7 H6 C 7 4.133 12.846 2.828
80 1H5* G 8 1H5' G 8 5.455 13.019 -1.752
81 2H5* G 8 2H5' G 8 5.161 12.107 -3.253
82 H4* G 8 H4' G 8 5.015 14.013 -4.570
83 H3* G 8 H3' G 8 5.692 15.456 -1.939
84 1H2* G 8 1H2' G 8 3.971 16.865 -3.964
85 2H2* G 8 2H2' G 8 3.828 16.828 -2.183
86 H1* G 8 H1' G 8 2.625 14.916 -4.231
87 H8 G 8 H8 G 8 3.154 15.071 -0.371
88 H1 G 8 H1 G 8 -3.041 15.304 -2.044
89 1H2 G 8 1H2 G 8 -1.810 15.338 -5.331
90 2H2 G 8 2H2 G 8 -3.222 15.388 -4.298
91 H3T G 8 HO3 G 8 6.484 17.008 -3.467
92 1H5* C 1 1H5' C 1 -11.890 15.661 -3.036
93 2H5* C 1 2H5' C 1 -10.736 15.971 -1.721
94 H4* C 1 H4' C 1 -10.294 16.694 -4.649
95 H3* C 1 H3' C 1 -9.995 14.092 -3.341
96 1H2* C 1 1H2' C 1 -7.255 14.293 -3.776
97 2H2* C 1 2H2' C 1 -8.015 14.609 -2.266
98 H1* C 1 H1' C 1 -7.276 16.653 -4.399
99 1H4 C 1 1H4 C 1 -4.320 17.296 1.657
100 2H4 C 1 2H4 C 1 -3.047 16.868 0.531
101 H5 C 1 H5 C 1 -6.712 17.292 0.993
102 H6 C 1 H6 C 1 -8.226 16.992 -0.859
103 H5* C 1 H5' C 1 -12.293 17.629 -1.951
104 1H5* G 2 1H5' G 2 -6.508 14.977 -5.662
105 2H5* G 2 2H5' G 2 -7.267 14.593 -7.167
106 H4* G 2 H4' G 2 -4.932 14.461 -7.571
107 H3* G 2 H3' G 2 -6.339 12.088 -7.997
108 1H2* G 2 1H2' G 2 -4.669 10.449 -6.732
109 2H2* G 2 2H2' G 2 -5.885 11.252 -5.773
110 H1* G 2 H1' G 2 -2.994 12.209 -6.180
111 H8 G 2 H8 G 2 -5.919 11.889 -3.509
112 H1 G 2 H1 G 2 -0.012 11.813 -0.983
113 1H2 G 2 1H2 G 2 1.077 12.169 -4.296
114 2H2 G 2 2H2 G 2 1.534 11.946 -2.619
115 1H5* C 3 1H5' C 3 -1.710 11.816 -8.006
116 2H5* C 3 2H5' C 3 -1.101 10.868 -9.397
117 H4* C 3 H4' C 3 0.308 10.495 -7.475
118 H3* C 3 H3' C 3 -1.441 8.163 -8.271
119 1H2* C 3 1H2' C 3 -0.024 7.314 -5.805
120 2H2* C 3 2H2' C 3 -1.685 7.392 -6.220
121 H1* C 3 H1' C 3 0.359 9.516 -5.180
122 1H4 C 3 1H4 C 3 -4.616 8.046 -0.878
123 2H4 C 3 2H4 C 3 -3.116 8.076 0.034
124 H5 C 3 H5 C 3 -4.549 8.215 -3.537
125 H6 C 3 H6 C 3 -3.327 9.059 -5.178
126 1H5* T 4 1H5' T 4 2.844 4.530 -8.654
127 2H5* T 4 2H5' T 4 1.267 3.806 -8.273
128 H4* T 4 H4' T 4 3.367 4.557 -6.206
129 H3* T 4 H3' T 4 3.303 2.244 -7.986
130 1H2* T 4 1H2' T 4 2.964 0.635 -5.731
131 2H2* T 4 2H2' T 4 1.635 1.123 -6.805
132 H1* T 4 H1' T 4 2.664 2.618 -4.326
133 H3 T 4 H3 T 4 -0.764 1.754 -1.482
134 1H5M T 4 1H5M T 4 -3.810 1.861 -5.099
135 2H5M T 4 2H5M T 4 -2.774 1.645 -6.518
136 3H5M T 4 3H5M T 4 -3.199 0.245 -5.511
137 H6 T 4 H6 T 4 -0.445 1.724 -6.263
138 1H5* A 5 1H5' A 5 5.689 1.436 -3.771
139 2H5* A 5 2H5' A 5 7.202 0.661 -4.403
140 H4* A 5 H4' A 5 6.882 -0.355 -2.443
141 H3* A 5 H3' A 5 6.534 -1.789 -4.867
142 1H2* A 5 1H2' A 5 4.247 -1.334 -4.384
143 2H2* A 5 2H2' A 5 4.193 -2.843 -4.487
144 H1* A 5 H1' A 5 4.260 -2.254 -1.753
145 H8 A 5 H8 A 5 1.886 -1.566 -4.688
146 1H6 A 5 1H6 A 5 -2.467 -1.029 -0.405
147 2H6 A 5 2H6 A 5 -2.099 -1.041 -2.116
148 H2 A 5 H2 A 5 1.504 -1.188 1.705
149 1H5* G 6 1H5' G 6 6.737 -5.280 -2.597
150 2H5* G 6 2H5' G 6 7.237 -4.224 -1.166
151 H4* G 6 H4' G 6 7.916 -5.757 0.077
152 H3* G 6 H3' G 6 8.959 -6.935 -2.205
153 1H2* G 6 1H2' G 6 7.361 -9.229 -2.173
154 2H2* G 6 2H2' G 6 6.956 -7.724 -3.000
155 H1* G 6 H1' G 6 6.099 -8.563 -0.179
156 H8 G 6 H8 G 6 4.723 -8.115 -3.723
157 H1 G 6 H1 G 6 0.254 -7.577 0.838
158 1H2 G 6 1H2 G 6 3.018 -7.503 3.029
159 2H2 G 6 2H2 G 6 1.273 -7.457 2.884
160 1H5* C 7 1H5' C 7 7.653 -7.949 1.837
161 2H5* C 7 2H5' C 7 8.682 -9.060 2.758
162 H4* C 7 H4' C 7 6.432 -8.864 3.695
163 H3* C 7 H3' C 7 7.792 -11.322 3.226
164 1H2* C 7 1H2' C 7 5.553 -12.630 2.336
165 2H2* C 7 2H2' C 7 6.536 -11.694 1.241
166 H1* C 7 H1' C 7 4.236 -10.590 2.978
167 1H4 C 7 1H4 C 7 1.440 -11.341 -3.091
168 2H4 C 7 2H4 C 7 0.154 -11.038 -1.941
169 H5 C 7 H5 C 7 3.831 -11.479 -2.400
170 H6 C 7 H6 C 7 5.317 -11.331 -0.596
171 1H5* G 8 1H5' G 8 4.006 -12.530 3.977
172 2H5* G 8 2H5' G 8 3.035 -11.773 5.263
173 H4* G 8 H4' G 8 2.165 -13.787 6.016
174 H3* G 8 H3' G 8 4.002 -14.988 3.861
175 1H2* G 8 1H2' G 8 1.436 -16.405 4.538
176 2H2* G 8 2H2' G 8 2.206 -16.149 2.946
177 H1* G 8 H1' G 8 0.228 -14.355 4.416
178 H8 G 8 H8 G 8 2.610 -14.129 1.338
179 H1 G 8 H1 G 8 -3.598 -13.943 -0.297
180 1H2 G 8 1H2 G 8 -4.174 -14.372 3.137
181 2H2 G 8 2H2 G 8 -4.882 -14.201 1.546
182 H3T G 8 HO3 G 8 3.852 -16.787 5.315
183 H1 TOT 1 H1 TOT 1 -4.046 -3.527 5.092
184 H2 TOT 1 H2 TOT 1 -6.487 -3.816 5.144
185 H3 TOT 1 H3 TOT 1 -7.735 -4.155 3.013
186 H4 TOT 1 H4 TOT 1 -6.543 -4.132 0.869
187 1H6 TOT 1 1H6 TOT 1 -5.254 -3.321 -0.785
188 2H6 TOT 1 2H6 TOT 1 -4.319 -4.758 -1.243
189 3H6 TOT 1 3H6 TOT 1 -3.620 -3.121 -1.371
190 H8 TOT 1 H8 TOT 1 -1.772 -4.233 -0.992
191 H13 TOT 1 H13 TOT 2 4.243 -4.811 -1.894
192 H14 TOT 1 H14 TOT 2 3.213 -5.486 -3.922
193 H15 TOT 1 H15 TOT 2 0.955 -4.681 -4.455
194 H16 TOT 1 H16 TOT 2 -0.590 -4.130 -2.629
195 H19 TOT 1 H9 TOT 2 0.102 -4.790 2.276
196 H20 TOT 1 H10 TOT 2 2.474 -4.509 2.480
197 1H22 TOT 1 1H19 TOT 3 4.328 -4.249 2.007
198 2H22 TOT 1 2H19 TOT 3 4.474 -5.199 0.666
199 1H23 TOT 1 1H20 TOT 3 4.545 -2.176 0.524
200 2H23 TOT 1 2H20 TOT 3 5.478 -3.290 -0.521
201 1H24 TOT 1 1H21 TOT 3 6.965 -3.891 1.250
202 2H24 TOT 1 2H21 TOT 3 5.972 -3.122 2.467
203 1H26 TOT 1 1H23 TOT 3 5.698 -0.350 0.777
204 2H26 TOT 1 2H23 TOT 3 5.530 -0.872 2.457
205 1H27 TOT 1 1H24 TOT 4 7.438 0.484 3.122
206 2H27 TOT 1 2H24 TOT 4 7.707 0.974 1.426
207 1H28 TOT 1 1H31 TOT 3 8.480 -2.477 -0.074
208 2H28 TOT 1 2H31 TOT 3 7.056 -1.641 -0.698
209 3H28 TOT 1 3H31 TOT 3 8.377 -0.718 0.024
210 1H29 TOT 1 1H32 TOT 3 8.749 -2.831 2.310
211 2H29 TOT 1 2H32 TOT 3 8.916 -1.083 2.376
212 3H29 TOT 1 3H32 TOT 3 7.758 -1.904 3.443
213 H31 TOT 1 H1 TOT 7 -0.695 4.516 -6.430
214 H32 TOT 1 H2 TOT 7 -2.649 4.687 -7.909
215 H33 TOT 1 H3 TOT 7 -4.920 4.992 -6.926
216 H34 TOT 1 H4 TOT 7 -5.209 5.052 -4.492
217 1H36 TOT 1 1H6 TOT 7 -5.117 4.348 -2.372
218 2H36 TOT 1 2H6 TOT 7 -4.128 4.199 -0.939
219 3H36 TOT 1 3H6 TOT 7 -4.664 5.809 -1.484
220 H38 TOT 1 H8 TOT 7 -2.446 5.396 -0.210
221 H43 TOT 1 H13 TOT 6 1.777 6.843 3.763
222 H44 TOT 1 H14 TOT 6 -0.250 7.003 5.092
223 H45 TOT 1 H15 TOT 6 -2.389 6.205 4.162
224 H46 TOT 1 H16 TOT 6 -2.555 5.594 1.794
225 H49 TOT 1 H9 TOT 6 1.046 4.672 -1.558
226 H50 TOT 1 H10 TOT 6 3.040 4.766 -0.186
227 1H52 TOT 1 1H19 TOT 5 3.248 5.449 3.323
228 2H52 TOT 1 2H19 TOT 5 3.835 6.156 1.820
229 1H53 TOT 1 1H20 TOT 5 3.634 3.202 1.982
230 2H53 TOT 1 2H20 TOT 5 4.709 4.222 0.996
231 1H54 TOT 1 1H21 TOT 5 5.696 5.036 3.235
232 2H54 TOT 1 2H21 TOT 5 4.771 3.713 3.951
233 1H56 TOT 1 1H23 TOT 5 5.404 1.894 1.378
234 2H56 TOT 1 2H23 TOT 5 5.172 1.438 3.069
235 1H58 TOT 1 1H31 TOT 5 6.608 2.471 4.805
236 2H58 TOT 1 2H31 TOT 5 7.457 3.973 4.429
237 3H58 TOT 1 3H31 TOT 5 8.134 2.438 3.903
238 1H59 TOT 1 1H32 TOT 5 8.256 3.124 1.660
239 2H59 TOT 1 2H32 TOT 5 7.599 4.716 2.010
240 3H59 TOT 1 3H32 TOT 5 6.852 3.703 0.766
Start of MODEL 17
Raw file had 240 H/Q atoms
Start of MODEL 18
1 1H5* C 1 1H5' C 1 -10.814 -14.425 -4.345
2 2H5* C 1 2H5' C 1 -9.112 -14.772 -4.720
3 H4* C 1 H4' C 1 -10.507 -15.462 -2.098
4 H3* C 1 H3' C 1 -9.433 -12.885 -2.986
5 1H2* C 1 1H2' C 1 -7.502 -13.128 -0.997
6 2H2* C 1 2H2' C 1 -7.216 -13.448 -2.666
7 H1* C 1 H1' C 1 -7.927 -15.480 -0.511
8 1H4 C 1 1H4 C 1 -1.963 -16.136 -3.653
9 2H4 C 1 2H4 C 1 -1.598 -15.685 -1.999
10 H5 C 1 H5 C 1 -4.287 -16.152 -4.523
11 H6 C 1 H6 C 1 -6.601 -15.850 -3.920
12 H5* C 1 H5' C 1 -9.595 -16.985 -4.357
13 1H5* G 2 1H5' G 2 -8.061 -13.801 0.956
14 2H5* G 2 2H5' G 2 -9.563 -13.378 1.701
15 H4* G 2 H4' G 2 -7.939 -13.315 3.430
16 H3* G 2 H3' G 2 -9.250 -10.897 2.942
17 1H2* G 2 1H2' G 2 -7.085 -9.320 2.989
18 2H2* G 2 2H2' G 2 -7.523 -10.077 1.479
19 H1* G 2 H1' G 2 -5.479 -11.143 3.511
20 H8 G 2 H8 G 2 -6.250 -10.751 -0.374
21 H1 G 2 H1 G 2 -0.006 -10.619 1.106
22 1H2 G 2 1H2 G 2 -1.078 -11.131 4.402
23 2H2 G 2 2H2 G 2 0.276 -10.842 3.329
24 1H5* C 3 1H5' C 3 -5.564 -10.779 5.748
25 2H5* C 3 2H5' C 3 -5.955 -9.902 7.259
26 H4* C 3 H4' C 3 -3.670 -9.469 6.735
27 H3* C 3 H3' C 3 -5.531 -7.155 6.186
28 1H2* C 3 1H2' C 3 -2.893 -6.244 5.236
29 2H2* C 3 2H2' C 3 -4.412 -6.401 4.457
30 H1* C 3 H1' C 3 -2.124 -8.450 5.031
31 1H4 C 3 1H4 C 3 -3.170 -7.051 -1.471
32 2H4 C 3 2H4 C 3 -1.435 -7.006 -1.236
33 H5 C 3 H5 C 3 -4.815 -7.268 0.576
34 H6 C 3 H6 C 3 -4.921 -8.127 2.625
35 1H5* T 4 1H5' T 4 -3.317 -3.124 8.966
36 2H5* T 4 2H5' T 4 -4.443 -2.770 7.643
37 H4* T 4 H4' T 4 -1.412 -2.815 7.360
38 H3* T 4 H3' T 4 -3.163 -0.721 8.504
39 1H2* T 4 1H2' T 4 -2.038 0.910 6.488
40 2H2* T 4 2H2' T 4 -3.682 0.243 6.478
41 H1* T 4 H1' T 4 -1.136 -1.034 5.336
42 H3 T 4 H3 T 4 -2.131 -0.191 0.990
43 1H5M T 4 1H5M T 4 -6.823 -1.112 3.576
44 2H5M T 4 2H5M T 4 -6.772 0.362 2.588
45 3H5M T 4 3H5M T 4 -6.690 -1.232 1.813
46 H6 T 4 H6 T 4 -4.869 -0.930 4.847
47 1H5* A 5 1H5' A 5 1.358 0.408 7.058
48 2H5* A 5 2H5' A 5 1.921 1.438 8.428
49 H4* A 5 H4' A 5 3.007 2.094 6.496
50 H3* A 5 H3' A 5 1.363 3.774 8.197
51 1H2* A 5 1H2' A 5 0.353 5.102 6.318
52 2H2* A 5 2H2' A 5 -0.412 3.607 6.723
53 H1* A 5 H1' A 5 1.576 4.036 4.339
54 H8 A 5 H8 A 5 -2.124 3.725 5.350
55 1H6 A 5 1H6 A 5 -3.209 2.228 -0.545
56 2H6 A 5 2H6 A 5 -3.927 2.770 0.963
57 H2 A 5 H2 A 5 1.161 1.752 0.210
58 1H5* G 6 1H5' G 6 3.401 6.763 5.881
59 2H5* G 6 2H5' G 6 4.273 5.331 5.197
60 H4* G 6 H4' G 6 5.947 6.449 4.338
61 H3* G 6 H3' G 6 5.914 8.106 6.527
62 1H2* G 6 1H2' G 6 4.974 10.404 5.286
63 2H2* G 6 2H2' G 6 3.928 9.183 6.016
64 H1* G 6 H1' G 6 4.746 9.374 3.071
65 H8 G 6 H8 G 6 1.727 9.949 5.411
66 H1 G 6 H1 G 6 0.127 8.582 -0.640
67 1H2 G 6 1H2 G 6 3.506 7.726 -1.013
68 2H2 G 6 2H2 G 6 1.943 7.894 -1.789
69 1H5* C 7 1H5' C 7 7.048 8.236 2.247
70 2H5* C 7 2H5' C 7 8.563 9.067 1.854
71 H4* C 7 H4' C 7 7.065 8.831 -0.075
72 H3* C 7 H3' C 7 8.437 11.208 0.622
73 1H2* C 7 1H2' C 7 6.312 12.875 0.173
74 2H2* C 7 2H2' C 7 6.505 12.063 1.706
75 H1* C 7 H1' C 7 5.110 10.901 -0.791
76 1H4 C 7 1H4 C 7 0.017 13.219 2.928
77 2H4 C 7 2H4 C 7 -0.631 12.735 1.375
78 H5 C 7 H5 C 7 2.455 13.017 3.474
79 H6 C 7 H6 C 7 4.524 12.263 2.707
80 1H5* G 8 1H5' G 8 5.672 12.678 -1.967
81 2H5* G 8 2H5' G 8 5.202 11.849 -3.467
82 H4* G 8 H4' G 8 5.239 13.755 -4.761
83 H3* G 8 H3' G 8 6.256 15.103 -2.194
84 1H2* G 8 1H2' G 8 4.598 16.718 -4.113
85 2H2* G 8 2H2' G 8 4.565 16.701 -2.328
86 H1* G 8 H1' G 8 2.992 14.970 -4.282
87 H8 G 8 H8 G 8 3.807 15.045 -0.465
88 H1 G 8 H1 G 8 -2.480 15.423 -1.681
89 1H2 G 8 1H2 G 8 -1.499 15.636 -5.041
90 2H2 G 8 2H2 G 8 -2.828 15.600 -3.902
91 H3T G 8 HO3 G 8 7.574 15.054 -4.099
92 1H5* C 1 1H5' C 1 -11.619 15.679 -2.431
93 2H5* C 1 2H5' C 1 -10.445 15.360 -1.136
94 H4* C 1 H4' C 1 -9.895 17.019 -3.634
95 H3* C 1 H3' C 1 -9.935 14.097 -3.336
96 1H2* C 1 1H2' C 1 -7.199 14.152 -3.780
97 2H2* C 1 2H2' C 1 -7.917 13.957 -2.240
98 H1* C 1 H1' C 1 -6.881 16.510 -3.503
99 1H4 C 1 1H4 C 1 -4.141 14.137 2.243
100 2H4 C 1 2H4 C 1 -2.854 14.167 1.052
101 H5 C 1 H5 C 1 -6.442 14.881 1.712
102 H6 C 1 H6 C 1 -7.886 15.653 -0.040
103 H5* C 1 H5' C 1 -10.302 17.632 -0.853
104 1H5* G 2 1H5' G 2 -6.463 15.286 -5.349
105 2H5* G 2 2H5' G 2 -7.010 15.259 -6.973
106 H4* G 2 H4' G 2 -4.741 14.847 -7.252
107 H3* G 2 H3' G 2 -6.266 12.543 -7.845
108 1H2* G 2 1H2' G 2 -4.694 10.801 -6.570
109 2H2* G 2 2H2' G 2 -5.920 11.629 -5.623
110 H1* G 2 H1' G 2 -3.001 12.539 -5.960
111 H8 G 2 H8 G 2 -5.873 11.816 -3.289
112 H1 G 2 H1 G 2 0.041 12.027 -0.831
113 1H2 G 2 1H2 G 2 1.076 12.427 -4.150
114 2H2 G 2 2H2 G 2 1.560 12.140 -2.492
115 1H5* C 3 1H5' C 3 -1.667 12.215 -7.770
116 2H5* C 3 2H5' C 3 -1.067 11.351 -9.220
117 H4* C 3 H4' C 3 0.387 10.836 -7.393
118 H3* C 3 H3' C 3 -1.479 8.589 -8.167
119 1H2* C 3 1H2' C 3 -0.026 7.609 -5.775
120 2H2* C 3 2H2' C 3 -1.695 7.796 -6.130
121 H1* C 3 H1' C 3 0.494 9.783 -5.117
122 1H4 C 3 1H4 C 3 -4.376 8.442 -0.655
123 2H4 C 3 2H4 C 3 -2.826 8.415 0.178
124 H5 C 3 H5 C 3 -4.422 8.679 -3.333
125 H6 C 3 H6 C 3 -3.209 9.532 -4.995
126 1H5* T 4 1H5' T 4 2.571 4.766 -8.691
127 2H5* T 4 2H5' T 4 0.954 4.127 -8.322
128 H4* T 4 H4' T 4 3.086 4.729 -6.236
129 H3* T 4 H3' T 4 2.892 2.468 -8.078
130 1H2* T 4 1H2' T 4 2.515 0.832 -5.856
131 2H2* T 4 2H2' T 4 1.193 1.409 -6.902
132 H1* T 4 H1' T 4 2.302 2.801 -4.398
133 H3 T 4 H3 T 4 -1.114 1.885 -1.546
134 1H5M T 4 1H5M T 4 -3.195 2.161 -6.547
135 2H5M T 4 2H5M T 4 -3.697 0.757 -5.582
136 3H5M T 4 3H5M T 4 -4.194 2.393 -5.103
137 H6 T 4 H6 T 4 -0.867 2.134 -6.323
138 1H5* A 5 1H5' A 5 5.386 1.332 -4.048
139 2H5* A 5 2H5' A 5 6.838 0.481 -4.718
140 H4* A 5 H4' A 5 6.357 -0.616 -2.788
141 H3* A 5 H3' A 5 5.955 -1.858 -5.279
142 1H2* A 5 1H2' A 5 3.685 -1.250 -4.786
143 2H2* A 5 2H2' A 5 3.472 -2.788 -4.849
144 H1* A 5 H1' A 5 3.721 -2.079 -2.075
145 H8 A 5 H8 A 5 1.260 -1.477 -4.994
146 1H6 A 5 1H6 A 5 -2.956 -0.903 -0.615
147 2H6 A 5 2H6 A 5 -2.619 -0.960 -2.330
148 H2 A 5 H2 A 5 1.077 -0.945 1.401
149 1H5* G 6 1H5' G 6 6.694 -4.569 -1.988
150 2H5* G 6 2H5' G 6 8.379 -4.921 -2.437
151 H4* G 6 H4' G 6 7.782 -5.595 -0.276
152 H3* G 6 H3' G 6 8.809 -7.093 -2.304
153 1H2* G 6 1H2' G 6 7.511 -9.491 -1.273
154 2H2* G 6 2H2' G 6 7.197 -8.695 -2.706
155 H1* G 6 H1' G 6 6.078 -8.154 0.137
156 H8 G 6 H8 G 6 5.247 -7.780 -3.575
157 H1 G 6 H1 G 6 0.107 -7.452 0.185
158 1H2 G 6 1H2 G 6 2.560 -7.029 2.665
159 2H2 G 6 2H2 G 6 0.854 -6.968 2.278
160 1H5* C 7 1H5' C 7 7.524 -7.171 1.999
161 2H5* C 7 2H5' C 7 8.557 -8.011 3.167
162 H4* C 7 H4' C 7 6.263 -7.861 3.951
163 H3* C 7 H3' C 7 7.789 -10.255 3.980
164 1H2* C 7 1H2' C 7 5.729 -11.863 3.160
165 2H2* C 7 2H2' C 7 6.715 -11.015 1.993
166 H1* C 7 H1' C 7 4.222 -9.861 3.407
167 1H4 C 7 1H4 C 7 1.904 -11.624 -2.652
168 2H4 C 7 2H4 C 7 0.529 -11.248 -1.632
169 H5 C 7 H5 C 7 4.247 -11.532 -1.797
170 H6 C 7 H6 C 7 5.590 -11.037 0.064
171 1H5* G 8 1H5' G 8 4.029 -11.668 4.619
172 2H5* G 8 2H5' G 8 2.881 -10.844 5.704
173 H4* G 8 H4' G 8 2.139 -12.808 6.683
174 H3* G 8 H3' G 8 4.247 -14.112 4.863
175 1H2* G 8 1H2' G 8 1.766 -15.666 5.555
176 2H2* G 8 2H2' G 8 2.641 -15.562 4.002
177 H1* G 8 H1' G 8 0.396 -13.786 5.047
178 H8 G 8 H8 G 8 3.004 -13.760 2.149
179 H1 G 8 H1 G 8 -3.048 -14.168 0.041
180 1H2 G 8 1H2 G 8 -3.881 -14.324 3.443
181 2H2 G 8 2H2 G 8 -4.462 -14.342 1.792
182 H3T G 8 HO3 G 8 3.004 -14.894 7.312
183 H1 TOT 1 H1 TOT 1 -4.279 -3.679 4.776
184 H2 TOT 1 H2 TOT 1 -6.711 -3.978 4.725
185 H3 TOT 1 H3 TOT 1 -7.871 -4.318 2.550
186 H4 TOT 1 H4 TOT 1 -6.597 -4.303 0.460
187 1H6 TOT 1 1H6 TOT 1 -3.684 -3.219 -1.676
188 2H6 TOT 1 2H6 TOT 1 -5.300 -3.640 -1.171
189 3H6 TOT 1 3H6 TOT 1 -4.154 -4.937 -1.560
190 H8 TOT 1 H8 TOT 1 -1.762 -4.140 -1.233
191 H13 TOT 1 H13 TOT 2 4.232 -4.563 -2.207
192 H14 TOT 1 H14 TOT 2 3.359 -5.524 -4.025
193 H15 TOT 1 H15 TOT 2 0.868 -5.323 -4.553
194 H16 TOT 1 H16 TOT 2 -0.650 -4.669 -2.810
195 H19 TOT 1 H9 TOT 2 0.131 -4.223 2.085
196 H20 TOT 1 H10 TOT 2 2.487 -3.793 2.209
197 1H22 TOT 1 1H19 TOT 3 4.210 -3.080 1.533
198 2H22 TOT 1 2H19 TOT 3 4.540 -4.556 0.723
199 1H23 TOT 1 1H20 TOT 3 4.812 -1.670 -0.205
200 2H23 TOT 1 2H20 TOT 3 5.427 -3.038 -1.172
201 1H24 TOT 1 1H21 TOT 3 6.927 -3.714 0.637
202 2H24 TOT 1 2H21 TOT 3 6.267 -2.535 1.728
203 1H26 TOT 1 1H23 TOT 3 7.983 0.317 0.032
204 2H26 TOT 1 2H23 TOT 3 6.380 -0.181 -0.465
205 1H27 TOT 1 1H24 TOT 4 5.745 -0.435 1.950
206 2H27 TOT 1 2H24 TOT 4 7.377 0.108 2.393
207 1H28 TOT 1 1H31 TOT 3 8.923 -1.372 -1.317
208 2H28 TOT 1 2H31 TOT 3 8.647 -3.080 -0.976
209 3H28 TOT 1 3H31 TOT 3 7.402 -2.141 -1.771
210 1H29 TOT 1 1H32 TOT 3 8.370 -1.802 2.321
211 2H29 TOT 1 2H32 TOT 3 9.150 -2.908 1.213
212 3H29 TOT 1 3H32 TOT 3 9.500 -1.180 1.107
213 H31 TOT 1 H1 TOT 7 -1.047 4.929 -6.444
214 H32 TOT 1 H2 TOT 7 -3.018 5.244 -7.879
215 H33 TOT 1 H3 TOT 7 -5.246 5.668 -6.841
216 H34 TOT 1 H4 TOT 7 -5.496 5.634 -4.409
217 1H36 TOT 1 1H6 TOT 7 -4.434 4.469 -0.986
218 2H36 TOT 1 2H6 TOT 7 -4.737 6.207 -1.235
219 3H36 TOT 1 3H6 TOT 7 -5.449 4.994 -2.309
220 H38 TOT 1 H8 TOT 7 -2.642 5.497 -0.144
221 H43 TOT 1 H13 TOT 6 1.818 6.731 3.728
222 H44 TOT 1 H14 TOT 6 -0.129 7.241 5.029
223 H45 TOT 1 H15 TOT 6 -2.391 6.748 4.123
224 H46 TOT 1 H16 TOT 6 -2.649 6.195 1.750
225 H49 TOT 1 H9 TOT 6 0.761 4.727 -1.614
226 H50 TOT 1 H10 TOT 6 2.768 4.552 -0.273
227 1H52 TOT 1 1H19 TOT 5 3.108 5.241 3.271
228 2H52 TOT 1 2H19 TOT 5 3.779 5.702 1.730
229 1H53 TOT 1 1H20 TOT 5 3.081 2.937 2.684
230 2H53 TOT 1 2H20 TOT 5 3.763 3.244 1.077
231 1H54 TOT 1 1H21 TOT 5 5.795 4.252 2.117
232 2H54 TOT 1 2H21 TOT 5 5.046 4.056 3.678
233 1H56 TOT 1 1H23 TOT 5 6.873 2.244 1.079
234 2H56 TOT 1 2H23 TOT 5 5.228 1.636 0.924
235 1H58 TOT 1 1H31 TOT 5 5.428 0.506 4.063
236 2H58 TOT 1 2H31 TOT 5 4.049 1.010 3.087
237 3H58 TOT 1 3H31 TOT 5 4.490 1.912 4.550
238 1H59 TOT 1 1H32 TOT 5 7.707 3.126 3.122
239 2H59 TOT 1 2H32 TOT 5 7.525 1.569 3.939
240 3H59 TOT 1 3H32 TOT 5 6.778 2.997 4.619
Start of MODEL 18
Raw file had 240 H/Q atoms
Start of MODEL 19
1 1H5* C 1 1H5' C 1 -11.674 -13.863 -3.949
2 2H5* C 1 2H5' C 1 -10.021 -14.217 -4.494
3 H4* C 1 H4' C 1 -11.202 -15.047 -1.808
4 H3* C 1 H3' C 1 -10.141 -12.437 -2.610
5 1H2* C 1 1H2' C 1 -8.043 -12.852 -0.839
6 2H2* C 1 2H2' C 1 -7.920 -13.068 -2.541
7 H1* C 1 H1' C 1 -8.485 -15.214 -0.457
8 1H4 C 1 1H4 C 1 -2.852 -15.751 -4.187
9 2H4 C 1 2H4 C 1 -2.330 -15.413 -2.547
10 H5 C 1 H5 C 1 -5.249 -15.686 -4.834
11 H6 C 1 H6 C 1 -7.491 -15.394 -3.997
12 H5* C 1 H5' C 1 -11.990 -16.117 -3.734
13 1H5* G 2 1H5' G 2 -8.404 -13.628 1.120
14 2H5* G 2 2H5' G 2 -9.815 -13.228 2.037
15 H4* G 2 H4' G 2 -8.036 -13.244 3.604
16 H3* G 2 H3' G 2 -9.336 -10.786 3.322
17 1H2* G 2 1H2' G 2 -7.148 -9.249 3.203
18 2H2* G 2 2H2' G 2 -7.732 -9.962 1.720
19 H1* G 2 H1' G 2 -5.548 -11.123 3.546
20 H8 G 2 H8 G 2 -6.605 -10.572 -0.250
21 H1 G 2 H1 G 2 -0.258 -10.687 0.738
22 1H2 G 2 1H2 G 2 -1.100 -11.316 4.084
23 2H2 G 2 2H2 G 2 0.184 -11.051 2.923
24 1H5* C 3 1H5' C 3 -5.389 -10.762 5.780
25 2H5* C 3 2H5' C 3 -5.652 -9.921 7.339
26 H4* C 3 H4' C 3 -3.428 -9.443 6.654
27 H3* C 3 H3' C 3 -5.344 -7.145 6.247
28 1H2* C 3 1H2' C 3 -2.790 -6.206 5.119
29 2H2* C 3 2H2' C 3 -4.354 -6.374 4.445
30 H1* C 3 H1' C 3 -2.014 -8.408 4.835
31 1H4 C 3 1H4 C 3 -3.586 -6.930 -1.556
32 2H4 C 3 2H4 C 3 -1.834 -6.909 -1.433
33 H5 C 3 H5 C 3 -5.065 -7.194 0.624
34 H6 C 3 H6 C 3 -5.002 -8.097 2.656
35 1H5* T 4 1H5' T 4 -2.720 -3.267 9.155
36 2H5* T 4 2H5' T 4 -3.863 -2.743 7.901
37 H4* T 4 H4' T 4 -0.852 -2.967 7.531
38 H3* T 4 H3' T 4 -2.362 -0.869 8.874
39 1H2* T 4 1H2' T 4 -1.660 0.878 6.823
40 2H2* T 4 2H2' T 4 -3.227 0.038 6.895
41 H1* T 4 H1' T 4 -0.640 -0.980 5.593
42 H3 T 4 H3 T 4 -1.672 -0.437 1.225
43 1H5M T 4 1H5M T 4 -6.239 0.540 2.896
44 2H5M T 4 2H5M T 4 -6.273 -1.067 2.143
45 3H5M T 4 3H5M T 4 -6.366 -0.914 3.906
46 H6 T 4 H6 T 4 -4.389 -0.737 5.156
47 1H5* A 5 1H5' A 5 2.229 0.493 7.104
48 2H5* A 5 2H5' A 5 2.662 1.610 8.452
49 H4* A 5 H4' A 5 3.652 2.351 6.490
50 H3* A 5 H3' A 5 1.850 3.874 8.176
51 1H2* A 5 1H2' A 5 0.650 5.018 6.302
52 2H2* A 5 2H2' A 5 0.071 3.453 6.754
53 H1* A 5 H1' A 5 1.954 4.072 4.341
54 H8 A 5 H8 A 5 -1.656 3.278 5.395
55 1H6 A 5 1H6 A 5 -2.577 1.941 -0.573
56 2H6 A 5 2H6 A 5 -3.337 2.376 0.945
57 H2 A 5 H2 A 5 1.826 1.762 0.231
58 1H5* G 6 1H5' G 6 3.378 7.097 5.867
59 2H5* G 6 2H5' G 6 4.499 5.885 5.107
60 H4* G 6 H4' G 6 5.913 7.375 4.304
61 H3* G 6 H3' G 6 5.588 8.901 6.577
62 1H2* G 6 1H2' G 6 3.955 10.868 5.634
63 2H2* G 6 2H2' G 6 3.299 9.297 6.224
64 H1* G 6 H1' G 6 4.184 10.019 3.331
65 H8 G 6 H8 G 6 1.091 9.949 5.494
66 H1 G 6 H1 G 6 -0.139 8.466 -0.618
67 1H2 G 6 1H2 G 6 3.345 8.079 -0.856
68 2H2 G 6 2H2 G 6 1.806 7.995 -1.689
69 1H5* C 7 1H5' C 7 6.614 8.585 2.361
70 2H5* C 7 2H5' C 7 8.208 8.876 1.645
71 H4* C 7 H4' C 7 6.640 9.348 -0.035
72 H3* C 7 H3' C 7 8.149 11.631 0.942
73 1H2* C 7 1H2' C 7 6.031 13.323 0.452
74 2H2* C 7 2H2' C 7 6.180 12.493 1.998
75 H1* C 7 H1' C 7 4.867 11.315 -0.517
76 1H4 C 7 1H4 C 7 -0.497 13.196 3.064
77 2H4 C 7 2H4 C 7 -1.052 12.552 1.531
78 H5 C 7 H5 C 7 1.931 13.368 3.615
79 H6 C 7 H6 C 7 4.125 12.865 2.875
80 1H5* G 8 1H5' G 8 5.460 13.081 -1.695
81 2H5* G 8 2H5' G 8 5.177 12.179 -3.204
82 H4* G 8 H4' G 8 5.020 14.092 -4.506
83 H3* G 8 H3' G 8 5.681 15.522 -1.864
84 1H2* G 8 1H2' G 8 3.953 16.934 -3.882
85 2H2* G 8 2H2' G 8 3.808 16.883 -2.102
86 H1* G 8 H1' G 8 2.623 14.978 -4.166
87 H8 G 8 H8 G 8 3.144 15.108 -0.303
88 H1 G 8 H1 G 8 -3.050 15.295 -1.985
89 1H2 G 8 1H2 G 8 -1.814 15.364 -5.270
90 2H2 G 8 2H2 G 8 -3.228 15.393 -4.239
91 H3T G 8 HO3 G 8 5.997 16.224 -4.615
92 1H5* C 1 1H5' C 1 -11.905 15.581 -3.037
93 2H5* C 1 2H5' C 1 -10.762 15.873 -1.709
94 H4* C 1 H4' C 1 -10.307 16.651 -4.622
95 H3* C 1 H3' C 1 -9.996 14.029 -3.360
96 1H2* C 1 1H2' C 1 -7.256 14.259 -3.771
97 2H2* C 1 2H2' C 1 -8.027 14.541 -2.260
98 H1* C 1 H1' C 1 -7.287 16.626 -4.352
99 1H4 C 1 1H4 C 1 -4.387 17.209 1.737
100 2H4 C 1 2H4 C 1 -3.100 16.818 0.613
101 H5 C 1 H5 C 1 -6.773 17.184 1.054
102 H6 C 1 H6 C 1 -8.269 16.897 -0.814
103 H5* C 1 H5' C 1 -11.916 17.837 -3.404
104 1H5* G 2 1H5' G 2 -6.494 14.976 -5.637
105 2H5* G 2 2H5' G 2 -7.237 14.612 -7.155
106 H4* G 2 H4' G 2 -4.901 14.487 -7.546
107 H3* G 2 H3' G 2 -6.297 12.111 -8.000
108 1H2* G 2 1H2' G 2 -4.629 10.468 -6.735
109 2H2* G 2 2H2' G 2 -5.853 11.262 -5.778
110 H1* G 2 H1' G 2 -2.963 12.232 -6.165
111 H8 G 2 H8 G 2 -5.895 11.870 -3.507
112 H1 G 2 H1 G 2 0.002 11.829 -0.959
113 1H2 G 2 1H2 G 2 1.102 12.208 -4.266
114 2H2 G 2 2H2 G 2 1.554 11.980 -2.589
115 1H5* C 3 1H5' C 3 -1.668 11.849 -7.986
116 2H5* C 3 2H5' C 3 -1.050 10.911 -9.381
117 H4* C 3 H4' C 3 0.350 10.525 -7.455
118 H3* C 3 H3' C 3 -1.397 8.197 -8.269
119 1H2* C 3 1H2' C 3 0.013 7.338 -5.803
120 2H2* C 3 2H2' C 3 -1.647 7.416 -6.223
121 H1* C 3 H1' C 3 0.392 9.537 -5.166
122 1H4 C 3 1H4 C 3 -4.597 8.045 -0.887
123 2H4 C 3 2H4 C 3 -3.099 8.076 0.030
124 H5 C 3 H5 C 3 -4.520 8.224 -3.545
125 H6 C 3 H6 C 3 -3.295 9.075 -5.179
126 1H5* T 4 1H5' T 4 2.878 4.557 -8.659
127 2H5* T 4 2H5' T 4 1.297 3.838 -8.286
128 H4* T 4 H4' T 4 3.395 4.569 -6.209
129 H3* T 4 H3' T 4 3.323 2.265 -8.002
130 1H2* T 4 1H2' T 4 2.980 0.649 -5.751
131 2H2* T 4 2H2' T 4 1.654 1.142 -6.825
132 H1* T 4 H1' T 4 2.683 2.628 -4.340
133 H3 T 4 H3 T 4 -0.751 1.757 -1.505
134 1H5M T 4 1H5M T 4 -3.792 1.880 -5.124
135 2H5M T 4 2H5M T 4 -2.755 1.676 -6.544
136 3H5M T 4 3H5M T 4 -3.179 0.268 -5.547
137 H6 T 4 H6 T 4 -0.425 1.749 -6.286
138 1H5* A 5 1H5' A 5 5.691 1.440 -3.787
139 2H5* A 5 2H5' A 5 7.207 0.663 -4.414
140 H4* A 5 H4' A 5 6.879 -0.354 -2.456
141 H3* A 5 H3' A 5 6.534 -1.785 -4.884
142 1H2* A 5 1H2' A 5 4.247 -1.328 -4.404
143 2H2* A 5 2H2' A 5 4.192 -2.838 -4.508
144 H1* A 5 H1' A 5 4.256 -2.250 -1.773
145 H8 A 5 H8 A 5 1.887 -1.558 -4.713
146 1H6 A 5 1H6 A 5 -2.475 -1.033 -0.437
147 2H6 A 5 2H6 A 5 -2.103 -1.041 -2.147
148 H2 A 5 H2 A 5 1.493 -1.192 1.681
149 1H5* G 6 1H5' G 6 6.732 -5.278 -2.617
150 2H5* G 6 2H5' G 6 7.232 -4.223 -1.186
151 H4* G 6 H4' G 6 7.911 -5.757 0.056
152 H3* G 6 H3' G 6 8.951 -6.933 -2.230
153 1H2* G 6 1H2' G 6 7.354 -9.227 -2.196
154 2H2* G 6 2H2' G 6 6.948 -7.722 -3.022
155 H1* G 6 H1' G 6 6.093 -8.561 -0.200
156 H8 G 6 H8 G 6 4.715 -8.113 -3.742
157 H1 G 6 H1 G 6 0.250 -7.579 0.824
158 1H2 G 6 1H2 G 6 3.017 -7.503 3.012
159 2H2 G 6 2H2 G 6 1.272 -7.457 2.870
160 1H5* C 7 1H5' C 7 7.649 -7.946 1.808
161 2H5* C 7 2H5' C 7 8.682 -9.052 2.728
162 H4* C 7 H4' C 7 6.436 -8.862 3.672
163 H3* C 7 H3' C 7 7.798 -11.318 3.195
164 1H2* C 7 1H2' C 7 5.556 -12.629 2.317
165 2H2* C 7 2H2' C 7 6.533 -11.694 1.217
166 H1* C 7 H1' C 7 4.240 -10.591 2.963
167 1H4 C 7 1H4 C 7 1.423 -11.338 -3.097
168 2H4 C 7 2H4 C 7 0.141 -11.037 -1.942
169 H5 C 7 H5 C 7 3.816 -11.474 -2.415
170 H6 C 7 H6 C 7 5.308 -11.328 -0.616
171 1H5* G 8 1H5' G 8 4.020 -12.529 3.969
172 2H5* G 8 2H5' G 8 3.059 -11.770 5.262
173 H4* G 8 H4' G 8 2.192 -13.785 6.020
174 H3* G 8 H3' G 8 4.015 -14.985 3.852
175 1H2* G 8 1H2' G 8 1.454 -16.402 4.546
176 2H2* G 8 2H2' G 8 2.212 -16.145 2.948
177 H1* G 8 H1' G 8 0.245 -14.352 4.433
178 H8 G 8 H8 G 8 2.604 -14.124 1.338
179 H1 G 8 H1 G 8 -3.615 -13.960 -0.253
180 1H2 G 8 1H2 G 8 -4.166 -14.379 3.186
181 2H2 G 8 2H2 G 8 -4.886 -14.216 1.599
182 H3T G 8 HO3 G 8 3.875 -16.785 5.306
183 H1 TOT 1 H1 TOT 1 -4.056 -3.532 5.065
184 H2 TOT 1 H2 TOT 1 -6.496 -3.823 5.118
185 H3 TOT 1 H3 TOT 1 -7.745 -4.158 2.987
186 H4 TOT 1 H4 TOT 1 -6.553 -4.142 0.844
187 1H6 TOT 1 1H6 TOT 1 -5.265 -3.344 -0.814
188 2H6 TOT 1 2H6 TOT 1 -4.323 -4.778 -1.267
189 3H6 TOT 1 3H6 TOT 1 -3.631 -3.138 -1.399
190 H8 TOT 1 H8 TOT 1 -1.780 -4.243 -1.017
191 H13 TOT 1 H13 TOT 2 4.238 -4.807 -1.915
192 H14 TOT 1 H14 TOT 2 3.210 -5.481 -3.943
193 H15 TOT 1 H15 TOT 2 0.952 -4.673 -4.479
194 H16 TOT 1 H16 TOT 2 -0.594 -4.124 -2.653
195 H19 TOT 1 H9 TOT 2 0.093 -4.793 2.252
196 H20 TOT 1 H10 TOT 2 2.465 -4.510 2.457
197 1H22 TOT 1 1H19 TOT 3 4.319 -4.249 1.987
198 2H22 TOT 1 2H19 TOT 3 4.466 -5.197 0.644
199 1H23 TOT 1 1H20 TOT 3 4.539 -2.173 0.506
200 2H23 TOT 1 2H20 TOT 3 5.471 -3.287 -0.539
201 1H24 TOT 1 1H21 TOT 3 6.957 -3.893 1.231
202 2H24 TOT 1 2H21 TOT 3 5.964 -3.125 2.450
203 1H26 TOT 1 1H23 TOT 3 5.694 -0.348 0.767
204 2H26 TOT 1 2H23 TOT 3 5.525 -0.876 2.446
205 1H27 TOT 1 1H24 TOT 4 7.434 0.475 3.117
206 2H27 TOT 1 2H24 TOT 4 7.706 0.970 1.424
207 1H28 TOT 1 1H31 TOT 3 8.372 -0.717 0.013
208 2H28 TOT 1 2H31 TOT 3 8.473 -2.476 -0.089
209 3H28 TOT 1 3H31 TOT 3 7.050 -1.638 -0.711
210 1H29 TOT 1 1H32 TOT 3 8.911 -1.091 2.364
211 2H29 TOT 1 2H32 TOT 3 7.752 -1.914 3.429
212 3H29 TOT 1 3H32 TOT 3 8.742 -2.838 2.293
213 H31 TOT 1 H1 TOT 7 -0.666 4.543 -6.439
214 H32 TOT 1 H2 TOT 7 -2.616 4.722 -7.923
215 H33 TOT 1 H3 TOT 7 -4.891 5.013 -6.945
216 H34 TOT 1 H4 TOT 7 -5.187 5.062 -4.512
217 1H36 TOT 1 1H6 TOT 7 -4.115 4.196 -0.960
218 2H36 TOT 1 2H6 TOT 7 -4.645 5.812 -1.492
219 3H36 TOT 1 3H6 TOT 7 -5.103 4.362 -2.393
220 H38 TOT 1 H8 TOT 7 -2.435 5.390 -0.220
221 H43 TOT 1 H13 TOT 6 1.783 6.844 3.762
222 H44 TOT 1 H14 TOT 6 -0.247 6.999 5.088
223 H45 TOT 1 H15 TOT 6 -2.386 6.211 4.150
224 H46 TOT 1 H16 TOT 6 -2.546 5.604 1.781
225 H49 TOT 1 H9 TOT 6 1.060 4.675 -1.563
226 H50 TOT 1 H10 TOT 6 3.052 4.770 -0.189
227 1H52 TOT 1 1H19 TOT 5 3.257 5.455 3.320
228 2H52 TOT 1 2H19 TOT 5 3.846 6.159 1.817
229 1H53 TOT 1 1H20 TOT 5 3.640 3.206 1.978
230 2H53 TOT 1 2H20 TOT 5 4.720 4.225 0.996
231 1H54 TOT 1 1H21 TOT 5 5.703 5.032 3.239
232 2H54 TOT 1 2H21 TOT 5 4.772 3.711 3.950
233 1H56 TOT 1 1H23 TOT 5 5.407 1.896 1.374
234 2H56 TOT 1 2H23 TOT 5 5.169 1.434 3.063
235 1H58 TOT 1 1H31 TOT 5 8.130 2.424 3.910
236 2H58 TOT 1 2H31 TOT 5 6.601 2.458 4.806
237 3H58 TOT 1 3H31 TOT 5 7.455 3.959 4.439
238 1H59 TOT 1 1H32 TOT 5 6.863 3.703 0.772
239 2H59 TOT 1 2H32 TOT 5 8.262 3.116 1.670
240 3H59 TOT 1 3H32 TOT 5 7.609 4.708 2.022
Start of MODEL 19
Raw file had 240 H/Q atoms
Start of MODEL 20
1 1H5* C 1 1H5' C 1 -10.495 -15.363 -3.786
2 2H5* C 1 2H5' C 1 -8.787 -15.571 -4.228
3 H4* C 1 H4' C 1 -9.998 -16.281 -1.521
4 H3* C 1 H3' C 1 -9.212 -13.651 -2.539
5 1H2* C 1 1H2' C 1 -7.172 -13.635 -0.650
6 2H2* C 1 2H2' C 1 -6.937 -13.996 -2.316
7 H1* C 1 H1' C 1 -7.360 -15.993 -0.055
8 1H4 C 1 1H4 C 1 -1.505 -16.329 -3.437
9 2H4 C 1 2H4 C 1 -1.105 -15.804 -1.813
10 H5 C 1 H5 C 1 -3.856 -16.532 -4.206
11 H6 C 1 H6 C 1 -6.159 -16.377 -3.512
12 H5* C 1 H5' C 1 -9.049 -17.802 -3.763
13 1H5* G 2 1H5' G 2 -7.550 -14.273 1.360
14 2H5* G 2 2H5' G 2 -9.049 -13.972 2.169
15 H4* G 2 H4' G 2 -7.358 -13.653 3.804
16 H3* G 2 H3' G 2 -8.939 -11.410 3.276
17 1H2* G 2 1H2' G 2 -6.966 -9.624 3.122
18 2H2* G 2 2H2' G 2 -7.378 -10.506 1.674
19 H1* G 2 H1' G 2 -5.146 -11.239 3.657
20 H8 G 2 H8 G 2 -6.104 -11.127 -0.200
21 H1 G 2 H1 G 2 0.182 -10.507 0.965
22 1H2 G 2 1H2 G 2 -0.722 -10.796 4.340
23 2H2 G 2 2H2 G 2 0.567 -10.522 3.186
24 1H5* C 3 1H5' C 3 -5.174 -10.752 5.869
25 2H5* C 3 2H5' C 3 -5.532 -9.788 7.334
26 H4* C 3 H4' C 3 -3.322 -9.269 6.536
27 H3* C 3 H3' C 3 -5.379 -7.078 6.137
28 1H2* C 3 1H2' C 3 -2.899 -6.071 4.889
29 2H2* C 3 2H2' C 3 -4.482 -6.316 4.299
30 H1* C 3 H1' C 3 -2.041 -8.235 4.651
31 1H4 C 3 1H4 C 3 -3.835 -7.278 -1.767
32 2H4 C 3 2H4 C 3 -2.086 -7.150 -1.697
33 H5 C 3 H5 C 3 -5.239 -7.347 0.471
34 H6 C 3 H6 C 3 -5.113 -8.071 2.556
35 1H5* T 4 1H5' T 4 -3.507 -2.832 8.606
36 2H5* T 4 2H5' T 4 -4.616 -2.732 7.225
37 H4* T 4 H4' T 4 -1.588 -2.354 7.079
38 H3* T 4 H3' T 4 -3.924 -0.414 7.414
39 1H2* T 4 1H2' T 4 -1.636 0.774 5.953
40 2H2* T 4 2H2' T 4 -3.376 0.782 5.572
41 H1* T 4 H1' T 4 -1.157 -1.131 4.855
42 H3 T 4 H3 T 4 -2.030 -0.683 0.413
43 1H5M T 4 1H5M T 4 -6.656 -1.209 1.231
44 2H5M T 4 2H5M T 4 -6.789 -1.019 2.987
45 3H5M T 4 3H5M T 4 -6.639 0.416 1.949
46 H6 T 4 H6 T 4 -4.838 -0.714 4.299
47 1H5* A 5 1H5' A 5 0.471 0.467 7.569
48 2H5* A 5 2H5' A 5 0.875 1.531 8.960
49 H4* A 5 H4' A 5 2.480 1.660 7.148
50 H3* A 5 H3' A 5 1.205 3.782 8.523
51 1H2* A 5 1H2' A 5 0.777 5.174 6.343
52 2H2* A 5 2H2' A 5 -0.410 4.147 6.968
53 H1* A 5 H1' A 5 1.530 3.700 4.595
54 H8 A 5 H8 A 5 -2.159 3.534 5.893
55 1H6 A 5 1H6 A 5 -3.677 2.236 0.039
56 2H6 A 5 2H6 A 5 -4.307 2.720 1.609
57 H2 A 5 H2 A 5 0.717 1.754 0.463
58 1H5* G 6 1H5' G 6 2.964 6.675 6.095
59 2H5* G 6 2H5' G 6 3.869 5.237 5.519
60 H4* G 6 H4' G 6 5.529 6.402 4.547
61 H3* G 6 H3' G 6 5.517 8.162 6.645
62 1H2* G 6 1H2' G 6 4.169 10.257 5.632
63 2H2* G 6 2H2' G 6 3.288 8.842 6.292
64 H1* G 6 H1' G 6 4.235 9.228 3.346
65 H8 G 6 H8 G 6 1.201 9.820 5.537
66 H1 G 6 H1 G 6 -0.308 8.403 -0.530
67 1H2 G 6 1H2 G 6 3.083 7.538 -0.815
68 2H2 G 6 2H2 G 6 1.539 7.692 -1.631
69 1H5* C 7 1H5' C 7 6.354 7.431 2.401
70 2H5* C 7 2H5' C 7 7.955 7.409 1.644
71 H4* C 7 H4' C 7 6.455 8.067 -0.036
72 H3* C 7 H3' C 7 8.357 10.089 0.792
73 1H2* C 7 1H2' C 7 6.547 12.114 0.347
74 2H2* C 7 2H2' C 7 6.602 11.284 1.899
75 H1* C 7 H1' C 7 5.021 10.313 -0.553
76 1H4 C 7 1H4 C 7 0.185 13.143 3.154
77 2H4 C 7 2H4 C 7 -0.523 12.594 1.648
78 H5 C 7 H5 C 7 2.628 12.922 3.617
79 H6 C 7 H6 C 7 4.680 12.046 2.804
80 1H5* G 8 1H5' G 8 5.844 11.951 -1.775
81 2H5* G 8 2H5' G 8 5.337 11.102 -3.258
82 H4* G 8 H4' G 8 5.477 12.993 -4.588
83 H3* G 8 H3' G 8 6.505 14.315 -2.009
84 1H2* G 8 1H2' G 8 4.972 15.988 -3.982
85 2H2* G 8 2H2' G 8 4.901 15.991 -2.198
86 H1* G 8 H1' G 8 3.293 14.308 -4.167
87 H8 G 8 H8 G 8 4.012 14.393 -0.334
88 H1 G 8 H1 G 8 -2.142 15.585 -1.734
89 1H2 G 8 1H2 G 8 -1.072 15.435 -5.072
90 2H2 G 8 2H2 G 8 -2.411 15.695 -3.976
91 H3T G 8 HO3 G 8 7.488 15.692 -3.591
92 1H5* C 1 1H5' C 1 -10.952 17.135 -2.436
93 2H5* C 1 2H5' C 1 -9.725 17.246 -1.157
94 H4* C 1 H4' C 1 -9.274 17.958 -4.086
95 H3* C 1 H3' C 1 -9.316 15.316 -2.826
96 1H2* C 1 1H2' C 1 -6.590 15.130 -3.360
97 2H2* C 1 2H2' C 1 -7.246 15.518 -1.817
98 H1* C 1 H1' C 1 -6.289 17.482 -3.940
99 1H4 C 1 1H4 C 1 -3.071 17.624 2.011
100 2H4 C 1 2H4 C 1 -1.903 17.052 0.836
101 H5 C 1 H5 C 1 -5.462 17.941 1.435
102 H6 C 1 H6 C 1 -7.065 17.877 -0.364
103 H5* C 1 H5' C 1 -11.032 19.116 -1.305
104 1H5* G 2 1H5' G 2 -5.830 15.744 -5.264
105 2H5* G 2 2H5' G 2 -6.687 15.499 -6.745
106 H4* G 2 H4' G 2 -4.408 15.061 -7.236
107 H3* G 2 H3' G 2 -6.135 12.909 -7.655
108 1H2* G 2 1H2' G 2 -4.661 11.033 -6.474
109 2H2* G 2 2H2' G 2 -5.731 11.970 -5.462
110 H1* G 2 H1' G 2 -2.751 12.534 -5.941
111 H8 G 2 H8 G 2 -5.614 12.551 -3.186
112 H1 G 2 H1 G 2 0.308 11.695 -0.851
113 1H2 G 2 1H2 G 2 1.327 11.909 -4.198
114 2H2 G 2 2H2 G 2 1.804 11.615 -2.538
115 1H5* C 3 1H5' C 3 -1.588 12.041 -7.819
116 2H5* C 3 2H5' C 3 -1.140 11.040 -9.235
117 H4* C 3 H4' C 3 0.253 10.482 -7.339
118 H3* C 3 H3' C 3 -1.765 8.383 -8.150
119 1H2* C 3 1H2' C 3 -0.419 7.320 -5.724
120 2H2* C 3 2H2' C 3 -2.063 7.600 -6.111
121 H1* C 3 H1' C 3 0.233 9.450 -5.070
122 1H4 C 3 1H4 C 3 -4.801 8.538 -0.686
123 2H4 C 3 2H4 C 3 -3.291 8.382 0.198
124 H5 C 3 H5 C 3 -4.762 8.714 -3.345
125 H6 C 3 H6 C 3 -3.482 9.419 -5.003
126 1H5* T 4 1H5' T 4 2.084 4.334 -8.780
127 2H5* T 4 2H5' T 4 0.471 3.780 -8.284
128 H4* T 4 H4' T 4 2.791 4.267 -6.371
129 H3* T 4 H3' T 4 2.071 1.925 -8.089
130 1H2* T 4 1H2' T 4 2.508 0.635 -5.580
131 2H2* T 4 2H2' T 4 0.962 0.799 -6.448
132 H1* T 4 H1' T 4 2.185 2.662 -4.359
133 H3 T 4 H3 T 4 -0.963 2.026 -1.143
134 1H5M T 4 1H5M T 4 -3.455 1.861 -5.950
135 2H5M T 4 2H5M T 4 -3.886 0.548 -4.833
136 3H5M T 4 3H5M T 4 -4.324 2.226 -4.452
137 H6 T 4 H6 T 4 -1.112 1.780 -5.924
138 1H5* A 5 1H5' A 5 5.241 1.162 -4.868
139 2H5* A 5 2H5' A 5 6.688 0.383 -5.632
140 H4* A 5 H4' A 5 6.525 -0.492 -3.529
141 H3* A 5 H3' A 5 6.106 -2.112 -5.820
142 1H2* A 5 1H2' A 5 3.839 -1.697 -5.267
143 2H2* A 5 2H2' A 5 3.833 -3.208 -5.214
144 H1* A 5 H1' A 5 3.885 -2.318 -2.554
145 H8 A 5 H8 A 5 1.497 -2.021 -5.521
146 1H6 A 5 1H6 A 5 -2.802 -1.048 -1.295
147 2H6 A 5 2H6 A 5 -2.437 -1.370 -2.975
148 H2 A 5 H2 A 5 1.205 -0.618 0.735
149 1H5* G 6 1H5' G 6 6.442 -5.428 -3.227
150 2H5* G 6 2H5' G 6 7.021 -4.185 -2.009
151 H4* G 6 H4' G 6 7.740 -5.516 -0.547
152 H3* G 6 H3' G 6 8.729 -7.054 -2.586
153 1H2* G 6 1H2' G 6 6.971 -9.154 -2.523
154 2H2* G 6 2H2' G 6 6.641 -7.639 -3.436
155 H1* G 6 H1' G 6 5.938 -8.247 -0.462
156 H8 G 6 H8 G 6 4.433 -8.413 -3.922
157 H1 G 6 H1 G 6 0.039 -7.200 0.570
158 1H2 G 6 1H2 G 6 2.805 -6.571 2.638
159 2H2 G 6 2H2 G 6 1.058 -6.666 2.515
160 1H5* C 7 1H5' C 7 7.280 -6.644 1.527
161 2H5* C 7 2H5' C 7 8.270 -6.808 2.987
162 H4* C 7 H4' C 7 6.061 -7.344 3.601
163 H3* C 7 H3' C 7 7.987 -9.502 3.769
164 1H2* C 7 1H2' C 7 6.074 -11.379 3.118
165 2H2* C 7 2H2' C 7 6.992 -10.558 1.865
166 H1* C 7 H1' C 7 4.428 -9.468 3.174
167 1H4 C 7 1H4 C 7 2.089 -11.834 -2.662
168 2H4 C 7 2H4 C 7 0.730 -11.276 -1.706
169 H5 C 7 H5 C 7 4.424 -11.785 -1.780
170 H6 C 7 H6 C 7 5.797 -11.090 0.018
171 1H5* G 8 1H5' G 8 4.388 -11.170 4.569
172 2H5* G 8 2H5' G 8 3.234 -10.300 5.611
173 H4* G 8 H4' G 8 2.553 -12.216 6.729
174 H3* G 8 H3' G 8 4.687 -13.573 4.978
175 1H2* G 8 1H2' G 8 2.264 -15.154 5.803
176 2H2* G 8 2H2' G 8 3.122 -15.128 4.235
177 H1* G 8 H1' G 8 0.831 -13.354 5.184
178 H8 G 8 H8 G 8 3.408 -13.443 2.260
179 H1 G 8 H1 G 8 -2.639 -14.270 0.267
180 1H2 G 8 1H2 G 8 -3.426 -14.216 3.687
181 2H2 G 8 2H2 G 8 -4.024 -14.390 2.051
182 H3T G 8 HO3 G 8 4.900 -13.572 7.287
183 H1 TOT 1 H1 TOT 1 -4.487 -3.620 4.458
184 H2 TOT 1 H2 TOT 1 -6.883 -4.116 4.470
185 H3 TOT 1 H3 TOT 1 -8.084 -4.447 2.306
186 H4 TOT 1 H4 TOT 1 -6.834 -4.454 0.194
187 1H6 TOT 1 1H6 TOT 1 -5.533 -3.792 -1.476
188 2H6 TOT 1 2H6 TOT 1 -4.474 -5.165 -1.818
189 3H6 TOT 1 3H6 TOT 1 -3.901 -3.489 -2.023
190 H8 TOT 1 H8 TOT 1 -2.002 -4.449 -1.521
191 H13 TOT 1 H13 TOT 2 3.993 -4.880 -2.430
192 H14 TOT 1 H14 TOT 2 2.928 -5.797 -4.342
193 H15 TOT 1 H15 TOT 2 0.654 -5.120 -4.921
194 H16 TOT 1 H16 TOT 2 -0.859 -4.340 -3.170
195 H19 TOT 1 H9 TOT 2 -0.099 -3.789 1.731
196 H20 TOT 1 H10 TOT 2 2.246 -3.577 1.854
197 1H22 TOT 1 1H19 TOT 3 3.984 -3.019 1.180
198 2H22 TOT 1 2H19 TOT 3 4.316 -4.552 0.509
199 1H23 TOT 1 1H20 TOT 3 4.660 -1.736 -0.602
200 2H23 TOT 1 2H20 TOT 3 5.328 -3.193 -1.406
201 1H24 TOT 1 1H21 TOT 3 6.745 -3.700 0.425
202 2H24 TOT 1 2H21 TOT 3 5.980 -2.599 1.511
203 1H26 TOT 1 1H23 TOT 3 7.626 0.429 0.116
204 2H26 TOT 1 2H23 TOT 3 6.027 -0.088 -0.367
205 1H27 TOT 1 1H24 TOT 4 5.509 -0.546 2.064
206 2H27 TOT 1 2H24 TOT 4 7.138 0.048 2.465
207 1H28 TOT 1 1H31 TOT 3 8.451 -2.754 -1.215
208 2H28 TOT 1 2H31 TOT 3 7.130 -1.766 -1.865
209 3H28 TOT 1 3H31 TOT 3 8.633 -1.012 -1.334
210 1H29 TOT 1 1H32 TOT 3 9.204 -1.106 1.100
211 2H29 TOT 1 2H32 TOT 3 8.091 -1.908 2.223
212 3H29 TOT 1 3H32 TOT 3 8.930 -2.849 1.005
213 H31 TOT 1 H1 TOT 7 -1.298 4.564 -6.281
214 H32 TOT 1 H2 TOT 7 -3.216 4.999 -7.761
215 H33 TOT 1 H3 TOT 7 -5.431 5.579 -6.773
216 H34 TOT 1 H4 TOT 7 -5.711 5.654 -4.339
217 1H36 TOT 1 1H6 TOT 7 -4.723 4.619 -0.807
218 2H36 TOT 1 2H6 TOT 7 -5.066 6.299 -1.297
219 3H36 TOT 1 3H6 TOT 7 -5.698 4.933 -2.225
220 H38 TOT 1 H8 TOT 7 -2.924 5.638 -0.057
221 H43 TOT 1 H13 TOT 6 1.421 6.565 3.942
222 H44 TOT 1 H14 TOT 6 -0.570 6.955 5.257
223 H45 TOT 1 H15 TOT 6 -2.772 6.349 4.347
224 H46 TOT 1 H16 TOT 6 -3.010 5.822 1.952
225 H49 TOT 1 H9 TOT 6 0.485 4.656 -1.442
226 H50 TOT 1 H10 TOT 6 2.469 4.458 -0.073
227 1H52 TOT 1 1H19 TOT 5 2.771 5.115 3.474
228 2H52 TOT 1 2H19 TOT 5 3.466 5.588 1.944
229 1H53 TOT 1 1H20 TOT 5 2.762 2.794 2.800
230 2H53 TOT 1 2H20 TOT 5 3.511 3.185 1.244
231 1H54 TOT 1 1H21 TOT 5 5.475 4.151 2.425
232 2H54 TOT 1 2H21 TOT 5 4.647 3.887 3.939
233 1H56 TOT 1 1H23 TOT 5 6.511 2.218 1.279
234 2H56 TOT 1 2H23 TOT 5 4.890 1.547 1.116
235 1H58 TOT 1 1H31 TOT 5 5.073 0.322 4.185
236 2H58 TOT 1 2H31 TOT 5 3.707 0.862 3.211
237 3H58 TOT 1 3H31 TOT 5 4.117 1.702 4.719
238 1H59 TOT 1 1H32 TOT 5 7.368 2.966 3.374
239 2H59 TOT 1 2H32 TOT 5 7.158 1.388 4.146
240 3H59 TOT 1 3H32 TOT 5 6.416 2.809 4.854
Start of MODEL 20
Raw file had 240 H/Q atoms
Start of MODEL 21
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 21
Raw file had 240 H/Q atoms
Start of MODEL 22
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 22
Raw file had 240 H/Q atoms
Start of MODEL 23
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 23
Raw file had 240 H/Q atoms
Start of MODEL 24
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 24
Raw file had 240 H/Q atoms
Start of MODEL 25
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 25
Raw file had 240 H/Q atoms
Start of MODEL 26
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 26
Raw file had 240 H/Q atoms
Start of MODEL 27
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 27
Raw file had 240 H/Q atoms
Start of MODEL 28
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 28
Raw file had 240 H/Q atoms
Start of MODEL 29
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 29
Raw file had 240 H/Q atoms
Start of MODEL 30
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 30
Raw file had 240 H/Q atoms
Start of MODEL 31
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 31
Raw file had 240 H/Q atoms
Start of MODEL 32
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 32
Raw file had 240 H/Q atoms
Start of MODEL 33
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 33
Raw file had 240 H/Q atoms
Start of MODEL 34
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 34
Raw file had 240 H/Q atoms
Start of MODEL 35
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 35
Raw file had 240 H/Q atoms
Start of MODEL 36
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 36
Raw file had 240 H/Q atoms
Start of MODEL 37
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 37
Raw file had 240 H/Q atoms
Start of MODEL 38
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 38
Raw file had 240 H/Q atoms
Start of MODEL 39
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
Start of MODEL 39
Raw file had 240 H/Q atoms
Start of MODEL 40
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry 1H5* C 1
No match found for entry 2H5* C 1
No match found for entry H4* C 1
No match found for entry H3* C 1
No match found for entry 1H2* C 1
No match found for entry 2H2* C 1
No match found for entry H1* C 1
No match found for entry 1H4 C 1
No match found for entry 2H4 C 1
No match found for entry H5 C 1
No match found for entry H6 C 1
No match found for entry H5* C 1
No match found for entry 1H5* G 2
No match found for entry 2H5* G 2
No match found for entry H4* G 2
No match found for entry H3* G 2
No match found for entry 1H2* G 2
No match found for entry 2H2* G 2
No match found for entry H1* G 2
No match found for entry H8 G 2
No match found for entry H1 G 2
No match found for entry 1H2 G 2
No match found for entry 2H2 G 2
No match found for entry 1H5* C 3
No match found for entry 2H5* C 3
No match found for entry H4* C 3
No match found for entry H3* C 3
No match found for entry 1H2* C 3
No match found for entry 2H2* C 3
No match found for entry H1* C 3
No match found for entry 1H4 C 3
No match found for entry 2H4 C 3
No match found for entry H5 C 3
No match found for entry H6 C 3
No match found for entry 1H5* T 4
No match found for entry 2H5* T 4
No match found for entry H4* T 4
No match found for entry H3* T 4
No match found for entry 1H2* T 4
No match found for entry 2H2* T 4
No match found for entry H1* T 4
No match found for entry H3 T 4
No match found for entry 1H5M T 4
No match found for entry 2H5M T 4
No match found for entry 3H5M T 4
No match found for entry H6 T 4
No match found for entry 1H5* A 5
No match found for entry 2H5* A 5
No match found for entry H4* A 5
No match found for entry H3* A 5
No match found for entry 1H2* A 5
No match found for entry 2H2* A 5
No match found for entry H1* A 5
No match found for entry H8 A 5
No match found for entry 1H6 A 5
No match found for entry 2H6 A 5
No match found for entry H2 A 5
No match found for entry 1H5* G 6
No match found for entry 2H5* G 6
No match found for entry H4* G 6
No match found for entry H3* G 6
No match found for entry 1H2* G 6
No match found for entry 2H2* G 6
No match found for entry H1* G 6
No match found for entry H8 G 6
No match found for entry H1 G 6
No match found for entry 1H2 G 6
No match found for entry 2H2 G 6
No match found for entry 1H5* C 7
No match found for entry 2H5* C 7
No match found for entry H4* C 7
No match found for entry H3* C 7
No match found for entry 1H2* C 7
No match found for entry 2H2* C 7
No match found for entry H1* C 7
No match found for entry 1H4 C 7
No match found for entry 2H4 C 7
No match found for entry H5 C 7
No match found for entry H6 C 7
No match found for entry 1H5* G 8
No match found for entry 2H5* G 8
No match found for entry H4* G 8
No match found for entry H3* G 8
No match found for entry 1H2* G 8
No match found for entry 2H2* G 8
No match found for entry H1* G 8
No match found for entry H8 G 8
No match found for entry H1 G 8
No match found for entry 1H2 G 8
No match found for entry 2H2 G 8
No match found for entry H3T G 8
No match found for entry H1 TOT 1
No match found for entry H2 TOT 1
No match found for entry H3 TOT 1
No match found for entry H4 TOT 1
No match found for entry 1H6 TOT 1
No match found for entry 2H6 TOT 1
No match found for entry 3H6 TOT 1
No match found for entry H8 TOT 1
No match found for entry H13TOT 1
No match found for entry H14TOT 1
No match found for entry H15TOT 1
No match found for entry H16TOT 1
No match found for entry H19TOT 1
No match found for entry H20TOT 1
No match found for entry 1H22TOT 1
No match found for entry 2H22TOT 1
No match found for entry 1H23TOT 1
No match found for entry 2H23TOT 1
No match found for entry 1H24TOT 1
No match found for entry 2H24TOT 1
No match found for entry 1H26TOT 1
No match found for entry 2H26TOT 1
No match found for entry 1H27TOT 1
No match found for entry 2H27TOT 1
No match found for entry 1H28TOT 1
No match found for entry 2H28TOT 1
No match found for entry 3H28TOT 1
No match found for entry 1H29TOT 1
No match found for entry 2H29TOT 1
No match found for entry 3H29TOT 1
No match found for entry H31TOT 1
No match found for entry H32TOT 1
No match found for entry H33TOT 1
No match found for entry H34TOT 1
No match found for entry 1H36TOT 1
No match found for entry 2H36TOT 1
No match found for entry 3H36TOT 1
No match found for entry H38TOT 1
No match found for entry H43TOT 1
No match found for entry H44TOT 1
No match found for entry H45TOT 1
No match found for entry H46TOT 1
No match found for entry H49TOT 1
No match found for entry H50TOT 1
No match found for entry 1H52TOT 1
No match found for entry 2H52TOT 1
No match found for entry 1H53TOT 1
No match found for entry 2H53TOT 1
No match found for entry 1H54TOT 1
No match found for entry 2H54TOT 1
No match found for entry 1H56TOT 1
No match found for entry 2H56TOT 1
No match found for entry 1H58TOT 1
No match found for entry 2H58TOT 1
No match found for entry 3H58TOT 1
No match found for entry 1H59TOT 1
No match found for entry 2H59TOT 1
No match found for entry 3H59TOT 1
No H/Q in entry = 240
No H/Q in entry = 240
Contact the webmaster for help, if required. Saturday, April 20, 2024 8:27:20 AM GMT (wattos1)