NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
591726 |
2mw6   |
25300 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -14.771 10.956 8.610
2 H2 GLY 1 HT2 GLY 1 -15.626 10.453 7.240
3 H3 GLY 1 HT3 GLY 1 -13.963 10.743 7.139
4 HA2 GLY 1 HA1 GLY 1 -13.522 8.902 8.650
5 HA3 GLY 1 HA2 GLY 1 -15.250 8.594 8.732
6 H ILE 2 HN ILE 2 -16.311 8.292 6.526
7 HA ILE 2 HA ILE 2 -15.171 6.048 5.264
8 HB ILE 2 HB ILE 2 -17.605 6.447 5.423
9 HG12 ILE 2 HG12 ILE 2 -18.114 5.899 2.907
10 HG13 ILE 2 HG11 ILE 2 -16.362 5.846 2.762
11 HG21 ILE 2 HG21 ILE 2 -18.782 7.921 3.899
12 HG22 ILE 2 HG22 ILE 2 -17.249 8.492 3.239
13 HG23 ILE 2 HG23 ILE 2 -17.668 8.834 4.917
14 HD11 ILE 2 HD11 ILE 2 -17.300 3.632 3.121
15 HD12 ILE 2 HD12 ILE 2 -18.020 4.174 4.637
16 HD13 ILE 2 HD13 ILE 2 -16.266 4.110 4.467
17 H GLY 3 HN GLY 3 -15.202 9.461 4.361
18 HA2 GLY 3 HA2 GLY 3 -14.106 9.115 1.738
19 HA3 GLY 3 HA1 GLY 3 -14.214 10.625 2.630
20 H ALA 4 HN ALA 4 -12.727 9.489 4.928
21 HA ALA 4 HA ALA 4 -10.072 10.130 4.046
22 HB1 ALA 4 HB1 ALA 4 -10.981 9.120 6.741
23 HB2 ALA 4 HB2 ALA 4 -10.947 10.814 6.249
24 HB3 ALA 4 HB3 ALA 4 -9.443 9.901 6.371
25 H VAL 5 HN VAL 5 -11.709 7.179 5.186
26 HA VAL 5 HA VAL 5 -9.379 5.527 4.965
27 HB VAL 5 HB VAL 5 -11.044 3.598 5.144
28 HG11 VAL 5 HG11 VAL 5 -11.465 4.051 7.550
29 HG12 VAL 5 HG12 VAL 5 -10.891 5.699 7.295
30 HG13 VAL 5 HG13 VAL 5 -9.799 4.337 7.047
31 HG21 VAL 5 HG21 VAL 5 -13.035 4.841 4.329
32 HG22 VAL 5 HG22 VAL 5 -12.989 5.814 5.800
33 HG23 VAL 5 HG23 VAL 5 -13.290 4.079 5.900
34 H LEU 6 HN LEU 6 -11.782 6.598 2.742
35 HA LEU 6 HA LEU 6 -11.337 4.497 0.799
36 HB2 LEU 6 HB2 LEU 6 -13.519 5.821 1.240
37 HB3 LEU 6 HB1 LEU 6 -12.778 7.086 0.284
38 HG LEU 6 HG LEU 6 -12.541 5.283 -1.553
39 HD11 LEU 6 HD11 LEU 6 -14.297 3.545 -1.464
40 HD12 LEU 6 HD12 LEU 6 -14.620 3.993 0.212
41 HD13 LEU 6 HD13 LEU 6 -13.052 3.324 -0.237
42 HD21 LEU 6 HD21 LEU 6 -15.243 6.339 -0.741
43 HD22 LEU 6 HD22 LEU 6 -14.818 5.734 -2.342
44 HD23 LEU 6 HD23 LEU 6 -14.037 7.184 -1.712
45 H LYS 7 HN LYS 7 -10.436 7.898 1.232
46 HA LYS 7 HA LYS 7 -9.010 8.004 -1.285
47 HB2 LYS 7 HB2 LYS 7 -9.748 9.937 0.837
48 HB3 LYS 7 HB1 LYS 7 -8.289 10.297 -0.072
49 HG2 LYS 7 HG2 LYS 7 -9.902 11.429 -1.265
50 HG3 LYS 7 HG1 LYS 7 -9.793 9.913 -2.156
51 HD2 LYS 7 HD2 LYS 7 -11.765 9.073 -0.989
52 HD3 LYS 7 HD1 LYS 7 -11.857 10.564 -0.049
53 HE2 LYS 7 HE2 LYS 7 -12.185 11.834 -2.127
54 HE3 LYS 7 HE1 LYS 7 -12.129 10.330 -3.044
55 HZ1 LYS 7 HZ1 LYS 7 -14.401 11.039 -2.647
56 HZ2 LYS 7 HZ2 LYS 7 -14.146 11.019 -0.975
57 HZ3 LYS 7 HZ3 LYS 7 -14.095 9.575 -1.856
58 H VAL 8 HN VAL 8 -8.219 6.937 1.840
59 HA VAL 8 HA VAL 8 -5.348 7.415 1.361
60 HB VAL 8 HB VAL 8 -6.734 6.849 4.001
61 HG11 VAL 8 HG11 VAL 8 -4.408 5.891 3.806
62 HG12 VAL 8 HG12 VAL 8 -4.631 7.068 5.098
63 HG13 VAL 8 HG13 VAL 8 -3.825 7.543 3.604
64 HG21 VAL 8 HG21 VAL 8 -7.106 9.120 3.179
65 HG22 VAL 8 HG22 VAL 8 -5.367 9.345 2.993
66 HG23 VAL 8 HG23 VAL 8 -6.061 9.122 4.599
67 H LEU 9 HN LEU 9 -7.744 4.917 2.120
68 HA LEU 9 HA LEU 9 -5.640 2.875 1.863
69 HB2 LEU 9 HB2 LEU 9 -8.282 2.894 3.262
70 HB3 LEU 9 HB1 LEU 9 -7.556 1.372 2.782
71 HG LEU 9 HG LEU 9 -5.857 3.256 4.337
72 HD11 LEU 9 HD11 LEU 9 -6.802 2.417 6.451
73 HD12 LEU 9 HD12 LEU 9 -8.104 1.648 5.544
74 HD13 LEU 9 HD13 LEU 9 -7.948 3.405 5.545
75 HD21 LEU 9 HD21 LEU 9 -5.036 1.168 5.296
76 HD22 LEU 9 HD22 LEU 9 -4.987 1.111 3.534
77 HD23 LEU 9 HD23 LEU 9 -6.264 0.265 4.408
78 H THR 10 HN THR 10 -8.753 3.883 0.543
79 HA THR 10 HA THR 10 -8.791 1.598 -1.279
80 HB THR 10 HB THR 10 -10.858 3.765 -1.388
81 HG1 THR 10 HG1 THR 10 -11.418 1.725 0.382
82 HG21 THR 10 HG21 THR 10 -12.346 1.851 -1.847
83 HG22 THR 10 HG22 THR 10 -10.978 0.756 -1.659
84 HG23 THR 10 HG23 THR 10 -10.998 1.920 -2.983
85 H THR 11 HN THR 11 -6.666 3.472 -1.614
86 HA THR 11 HA THR 11 -7.181 4.294 -4.378
87 HB THR 11 HB THR 11 -5.745 6.377 -3.911
88 HG1 THR 11 HG1 THR 11 -5.078 6.330 -1.878
89 HG21 THR 11 HG21 THR 11 -7.712 7.696 -3.263
90 HG22 THR 11 HG22 THR 11 -8.549 6.215 -2.799
91 HG23 THR 11 HG23 THR 11 -8.114 6.490 -4.485
92 H GLY 12 HN GLY 12 -4.724 3.895 -1.830
93 HA2 GLY 12 HA2 GLY 12 -2.761 3.177 -3.917
94 HA3 GLY 12 HA1 GLY 12 -2.348 3.799 -2.326
95 H LEU 13 HN LEU 13 -3.210 1.015 -4.190
96 HA LEU 13 HA LEU 13 -2.963 -0.713 -1.831
97 HB2 LEU 13 HB2 LEU 13 -4.532 -0.878 -4.308
98 HB3 LEU 13 HB1 LEU 13 -3.765 -2.383 -3.842
99 HG LEU 13 HG LEU 13 -4.870 -1.801 -1.493
100 HD11 LEU 13 HD11 LEU 13 -7.062 -0.773 -1.779
101 HD12 LEU 13 HD12 LEU 13 -6.701 -0.453 -3.475
102 HD13 LEU 13 HD13 LEU 13 -5.774 0.353 -2.209
103 HD21 LEU 13 HD21 LEU 13 -6.341 -2.972 -3.849
104 HD22 LEU 13 HD22 LEU 13 -6.784 -3.185 -2.155
105 HD23 LEU 13 HD23 LEU 13 -5.258 -3.832 -2.755
106 HA PRO 14 HA PRO 14 0.127 -2.715 -5.022
107 HB2 PRO 14 HB2 PRO 14 0.796 -0.583 -6.930
108 HB3 PRO 14 HB1 PRO 14 0.303 -2.256 -7.247
109 HG2 PRO 14 HG2 PRO 14 -1.298 -0.195 -7.809
110 HG3 PRO 14 HG1 PRO 14 -1.931 -1.752 -7.237
111 HD2 PRO 14 HD2 PRO 14 -1.488 0.778 -5.693
112 HD3 PRO 14 HD1 PRO 14 -2.879 -0.326 -5.671
113 H ALA 15 HN ALA 15 0.302 0.470 -3.760
114 HA ALA 15 HA ALA 15 3.133 0.857 -3.903
115 HB1 ALA 15 HB1 ALA 15 1.563 2.729 -3.679
116 HB2 ALA 15 HB2 ALA 15 2.770 2.724 -2.394
117 HB3 ALA 15 HB3 ALA 15 1.131 2.165 -2.065
118 H LEU 16 HN LEU 16 0.924 -0.396 -1.428
119 HA LEU 16 HA LEU 16 2.922 -0.759 0.584
120 HB2 LEU 16 HB2 LEU 16 0.144 -1.902 0.279
121 HB3 LEU 16 HB1 LEU 16 1.157 -2.183 1.681
122 HG LEU 16 HG LEU 16 0.549 0.635 0.872
123 HD11 LEU 16 HD11 LEU 16 -1.471 0.588 2.259
124 HD12 LEU 16 HD12 LEU 16 -1.306 -1.160 2.428
125 HD13 LEU 16 HD13 LEU 16 -1.619 -0.453 0.843
126 HD21 LEU 16 HD21 LEU 16 0.970 -0.725 3.535
127 HD22 LEU 16 HD22 LEU 16 0.705 1.001 3.291
128 HD23 LEU 16 HD23 LEU 16 2.162 0.234 2.659
129 H ILE 17 HN ILE 17 1.554 -2.766 -1.957
130 HA ILE 17 HA ILE 17 2.715 -5.247 -1.159
131 HB ILE 17 HB ILE 17 2.015 -4.578 -4.015
132 HG12 ILE 17 HG12 ILE 17 0.078 -3.799 -2.791
133 HG13 ILE 17 HG11 ILE 17 -0.329 -5.313 -3.577
134 HG21 ILE 17 HG21 ILE 17 1.328 -6.963 -4.097
135 HG22 ILE 17 HG22 ILE 17 1.919 -7.149 -2.446
136 HG23 ILE 17 HG23 ILE 17 3.039 -6.724 -3.739
137 HD11 ILE 17 HD11 ILE 17 -0.106 -6.479 -1.429
138 HD12 ILE 17 HD12 ILE 17 -1.299 -5.184 -1.353
139 HD13 ILE 17 HD13 ILE 17 0.299 -4.952 -0.648
140 H SER 18 HN SER 18 3.736 -2.576 -3.213
141 HA SER 18 HA SER 18 6.090 -3.838 -4.246
142 HB2 SER 18 HB2 SER 18 5.245 -0.933 -4.166
143 HB3 SER 18 HB1 SER 18 6.668 -1.531 -5.019
144 HG SER 18 HG SER 18 3.961 -2.223 -5.511
145 H TRP 19 HN TRU 19 5.337 -1.888 -1.432
146 HA TRP 19 HA TRU 19 8.047 -1.301 -0.708
147 HB2 TRP 19 HB2 TRU 19 5.369 -0.860 0.466
148 HB3 TRP 19 HB1 TRU 19 6.694 -0.986 1.620
149 HD1 TRP 19 HD1 TRU 19 5.302 1.292 -1.101
150 HE1 TRP 19 HE1 TRU 19 6.547 3.548 -1.032
151 HE3 TRP 19 HE3 TRU 19 9.010 0.103 2.221
152 HZ2 TRP 19 HZ2 TRU 19 8.766 4.703 0.226
153 HZ3 TRP 19 HZ3 TRU 19 10.656 1.821 2.830
154 HH2 TRP 19 HH2 TRU 19 10.565 4.114 1.859
155 H ILE 20 HN ILE 20 5.705 -3.806 0.174
156 HA ILE 20 HA ILE 20 7.391 -5.010 2.169
157 HB ILE 20 HB ILE 20 5.773 -6.937 2.079
158 HG12 ILE 20 HG12 ILE 20 3.512 -5.924 0.920
159 HG13 ILE 20 HG11 ILE 20 4.752 -5.383 -0.209
160 HG21 ILE 20 HG21 ILE 20 5.529 -5.200 3.720
161 HG22 ILE 20 HG22 ILE 20 3.936 -5.689 3.144
162 HG23 ILE 20 HG23 ILE 20 4.658 -4.185 2.570
163 HD11 ILE 20 HD11 ILE 20 3.926 -7.471 -0.975
164 HD12 ILE 20 HD12 ILE 20 4.132 -8.203 0.616
165 HD13 ILE 20 HD13 ILE 20 5.546 -7.745 -0.334
166 H LYS 21 HN LYS 21 6.880 -5.435 -1.265
167 HA LYS 21 HA LYS 21 8.297 -7.924 -1.491
168 HB2 LYS 21 HB2 LYS 21 7.233 -5.923 -3.458
169 HB3 LYS 21 HB1 LYS 21 8.314 -7.201 -3.995
170 HG2 LYS 21 HG2 LYS 21 6.746 -8.864 -3.047
171 HG3 LYS 21 HG1 LYS 21 5.642 -7.546 -2.652
172 HD2 LYS 21 HD2 LYS 21 5.398 -6.980 -4.974
173 HD3 LYS 21 HD1 LYS 21 6.642 -8.145 -5.433
174 HE2 LYS 21 HE2 LYS 21 5.245 -9.977 -4.693
175 HE3 LYS 21 HE1 LYS 21 4.024 -8.848 -4.109
176 HZ1 LYS 21 HZ1 LYS 21 3.416 -9.764 -6.253
177 HZ2 LYS 21 HZ2 LYS 21 4.851 -9.192 -6.942
178 HZ3 LYS 21 HZ3 LYS 21 3.686 -8.099 -6.386
179 H ARG 22 HN ARG 22 9.120 -4.519 -1.715
180 HA ARG 22 HA ARG 22 11.786 -4.977 -2.727
181 HB2 ARG 22 HB2 ARG 22 10.308 -2.538 -1.775
182 HB3 ARG 22 HB1 ARG 22 12.033 -2.483 -2.106
183 HG2 ARG 22 HG2 ARG 22 11.616 -3.192 -4.408
184 HG3 ARG 22 HG1 ARG 22 9.884 -3.248 -4.074
185 HD2 ARG 22 HD2 ARG 22 9.887 -0.859 -3.597
186 HD3 ARG 22 HD1 ARG 22 11.627 -0.793 -3.877
187 HE ARG 22 HE ARG 22 10.410 -1.854 -6.160
188 HH11 ARG 22 HH12 ARG 22 10.542 1.217 -4.458
189 HH12 ARG 22 HH11 ARG 22 10.269 2.152 -5.891
190 HH21 ARG 22 HH21 ARG 22 10.059 -0.609 -8.020
191 HH22 ARG 22 HH22 ARG 22 9.996 1.118 -7.904
192 H LYS 23 HN LYS 23 10.256 -4.689 0.379
193 HA LYS 23 HA LYS 23 12.728 -4.304 1.843
194 HB2 LYS 23 HB2 LYS 23 9.837 -4.502 2.562
195 HB3 LYS 23 HB1 LYS 23 11.034 -4.830 3.807
196 HG2 LYS 23 HG2 LYS 23 12.032 -2.613 3.390
197 HG3 LYS 23 HG1 LYS 23 10.752 -2.290 2.216
198 HD2 LYS 23 HD2 LYS 23 9.074 -2.367 3.898
199 HD3 LYS 23 HD1 LYS 23 10.202 -3.021 5.086
200 HE2 LYS 23 HE2 LYS 23 10.570 -0.315 3.825
201 HE3 LYS 23 HE1 LYS 23 9.617 -0.554 5.288
202 HZ1 LYS 23 HZ1 LYS 23 11.571 -1.466 6.372
203 HZ2 LYS 23 HZ2 LYS 23 11.896 0.088 5.790
204 HZ3 LYS 23 HZ3 LYS 23 12.485 -1.264 4.962
205 H ARG 24 HN ARG 24 10.747 -6.930 0.777
206 HA ARG 24 HA ARG 24 11.943 -8.863 2.601
207 HB2 ARG 24 HB2 ARG 24 9.461 -8.729 1.598
208 HB3 ARG 24 HB1 ARG 24 10.198 -9.730 0.356
209 HG2 ARG 24 HG2 ARG 24 10.871 -11.352 2.052
210 HG3 ARG 24 HG1 ARG 24 10.152 -10.340 3.307
211 HD2 ARG 24 HD2 ARG 24 7.960 -10.588 2.230
212 HD3 ARG 24 HD1 ARG 24 8.688 -11.621 1.001
213 HE ARG 24 HE ARG 24 9.279 -12.717 3.497
214 HH11 ARG 24 HH11 ARG 24 6.439 -12.172 1.504
215 HH12 ARG 24 HH12 ARG 24 5.577 -13.523 2.161
216 HH21 ARG 24 HH22 ARG 24 8.131 -14.480 4.345
217 HH22 ARG 24 HH21 ARG 24 6.535 -14.827 3.767
218 H GLN 25 HN GLN 25 12.152 -7.853 -0.756
219 HA GLN 25 HA GLN 25 13.882 -10.086 -1.474
220 HB2 GLN 25 HB2 GLN 25 12.734 -7.790 -3.057
221 HB3 GLN 25 HB1 GLN 25 13.926 -8.891 -3.730
222 HG2 GLN 25 HG2 GLN 25 12.410 -10.770 -3.359
223 HG3 GLN 25 HG1 GLN 25 11.217 -9.672 -2.671
224 HE21 GLN 25 HE21 GLN 25 9.648 -10.101 -4.167
225 HE22 GLN 25 HE22 GLN 25 9.758 -9.624 -5.824
226 H GLN 26 HN GLN 26 14.089 -6.548 -1.166
227 HA GLN 26 HA GLN 26 17.001 -6.691 -1.472
228 HB2 GLN 26 HB2 GLN 26 15.048 -4.399 -1.607
229 HB3 GLN 26 HB1 GLN 26 16.781 -4.134 -1.483
230 HG2 GLN 26 HG2 GLN 26 17.124 -5.361 -3.561
231 HG3 GLN 26 HG1 GLN 26 15.389 -5.648 -3.682
232 HE21 GLN 26 HE21 GLN 26 17.935 -3.294 -3.921
233 HE22 GLN 26 HE22 GLN 26 17.009 -2.074 -4.720
234 HN1 NH2 27 H1 GLN 26 14.565 -5.285 0.686
235 HN2 NH2 27 H2 GLN 26 15.572 -5.234 2.090
236 HC1 3UQ 101 HC1 TRU 19 7.378 1.435 5.096
237 HC2 3UQ 101 HC2 TRU 19 9.105 3.516 5.318
238 HC3 3UQ 101 HC3 TRU 19 8.054 5.625 3.971
239 HC4 3UQ 101 HC4 TRU 19 5.269 2.258 3.608
240 HC5 3UQ 101 HC5 TRU 19 5.680 4.846 2.915
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -15.286 7.699 10.046
2 H2 GLY 1 HT2 GLY 1 -14.251 8.644 10.993
3 H3 GLY 1 HT3 GLY 1 -13.829 7.051 10.612
4 HA2 GLY 1 HA1 GLY 1 -14.088 9.289 8.678
5 HA3 GLY 1 HA2 GLY 1 -12.573 8.619 9.266
6 H ILE 2 HN ILE 2 -15.618 7.217 8.058
7 HA ILE 2 HA ILE 2 -14.378 5.035 6.746
8 HB ILE 2 HB ILE 2 -17.091 6.035 5.901
9 HG12 ILE 2 HG12 ILE 2 -17.751 4.336 7.905
10 HG13 ILE 2 HG11 ILE 2 -16.310 5.072 8.597
11 HG21 ILE 2 HG21 ILE 2 -17.587 3.635 5.744
12 HG22 ILE 2 HG22 ILE 2 -15.954 3.267 6.299
13 HG23 ILE 2 HG23 ILE 2 -16.197 4.085 4.756
14 HD11 ILE 2 HD11 ILE 2 -18.789 6.494 7.660
15 HD12 ILE 2 HD12 ILE 2 -17.325 7.295 8.228
16 HD13 ILE 2 HD13 ILE 2 -18.252 6.272 9.325
17 H GLY 3 HN GLY 3 -15.499 8.194 5.585
18 HA2 GLY 3 HA2 GLY 3 -15.039 7.715 2.813
19 HA3 GLY 3 HA1 GLY 3 -15.262 9.282 3.570
20 H ALA 4 HN ALA 4 -13.017 8.989 5.402
21 HA ALA 4 HA ALA 4 -10.926 9.954 3.712
22 HB1 ALA 4 HB1 ALA 4 -9.666 10.281 5.749
23 HB2 ALA 4 HB2 ALA 4 -10.796 9.269 6.647
24 HB3 ALA 4 HB3 ALA 4 -11.329 10.817 5.991
25 H VAL 5 HN VAL 5 -11.284 7.020 5.732
26 HA VAL 5 HA VAL 5 -8.790 5.868 5.003
27 HB VAL 5 HB VAL 5 -11.237 4.366 5.994
28 HG11 VAL 5 HG11 VAL 5 -9.570 2.785 6.924
29 HG12 VAL 5 HG12 VAL 5 -8.295 3.690 6.107
30 HG13 VAL 5 HG13 VAL 5 -9.534 2.864 5.163
31 HG21 VAL 5 HG21 VAL 5 -10.748 6.174 7.538
32 HG22 VAL 5 HG22 VAL 5 -9.050 5.700 7.592
33 HG23 VAL 5 HG23 VAL 5 -10.285 4.629 8.254
34 H LEU 6 HN LEU 6 -11.946 5.880 3.509
35 HA LEU 6 HA LEU 6 -11.469 3.693 1.711
36 HB2 LEU 6 HB2 LEU 6 -13.725 4.668 2.537
37 HB3 LEU 6 HB1 LEU 6 -13.504 5.862 1.276
38 HG LEU 6 HG LEU 6 -13.278 3.807 -0.307
39 HD11 LEU 6 HD11 LEU 6 -14.591 1.863 0.424
40 HD12 LEU 6 HD12 LEU 6 -14.715 2.565 2.037
41 HD13 LEU 6 HD13 LEU 6 -13.141 2.088 1.402
42 HD21 LEU 6 HD21 LEU 6 -15.918 4.567 0.937
43 HD22 LEU 6 HD22 LEU 6 -15.704 3.775 -0.624
44 HD23 LEU 6 HD23 LEU 6 -15.104 5.415 -0.378
45 H LYS 7 HN LYS 7 -11.225 7.227 1.510
46 HA LYS 7 HA LYS 7 -10.605 7.273 -1.287
47 HB2 LYS 7 HB2 LYS 7 -10.464 9.348 0.885
48 HB3 LYS 7 HB1 LYS 7 -9.895 9.675 -0.746
49 HG2 LYS 7 HG2 LYS 7 -12.217 8.926 -1.513
50 HG3 LYS 7 HG1 LYS 7 -12.685 9.093 0.180
51 HD2 LYS 7 HD2 LYS 7 -12.002 11.427 0.161
52 HD3 LYS 7 HD1 LYS 7 -11.453 11.271 -1.508
53 HE2 LYS 7 HE2 LYS 7 -14.295 10.821 -0.608
54 HE3 LYS 7 HE1 LYS 7 -13.692 12.347 -1.252
55 HZ1 LYS 7 HZ1 LYS 7 -14.787 11.036 -2.961
56 HZ2 LYS 7 HZ2 LYS 7 -13.721 9.750 -2.697
57 HZ3 LYS 7 HZ3 LYS 7 -13.142 11.212 -3.319
58 H VAL 8 HN VAL 8 -8.725 6.823 1.588
59 HA VAL 8 HA VAL 8 -6.201 7.390 0.223
60 HB VAL 8 HB VAL 8 -6.637 6.435 3.076
61 HG11 VAL 8 HG11 VAL 8 -4.323 7.206 3.463
62 HG12 VAL 8 HG12 VAL 8 -4.159 7.531 1.737
63 HG13 VAL 8 HG13 VAL 8 -4.402 5.878 2.304
64 HG21 VAL 8 HG21 VAL 8 -7.603 8.651 2.722
65 HG22 VAL 8 HG22 VAL 8 -6.074 9.218 2.049
66 HG23 VAL 8 HG23 VAL 8 -6.168 8.742 3.745
67 H LEU 9 HN LEU 9 -8.264 4.728 0.977
68 HA LEU 9 HA LEU 9 -6.182 2.730 0.527
69 HB2 LEU 9 HB2 LEU 9 -8.844 2.766 1.749
70 HB3 LEU 9 HB1 LEU 9 -8.541 1.346 0.770
71 HG LEU 9 HG LEU 9 -6.427 0.999 2.137
72 HD11 LEU 9 HD11 LEU 9 -6.534 2.022 4.439
73 HD12 LEU 9 HD12 LEU 9 -7.715 3.161 3.792
74 HD13 LEU 9 HD13 LEU 9 -6.078 3.121 3.140
75 HD21 LEU 9 HD21 LEU 9 -9.087 0.878 3.549
76 HD22 LEU 9 HD22 LEU 9 -7.642 -0.033 3.988
77 HD23 LEU 9 HD23 LEU 9 -8.441 -0.334 2.444
78 H THR 10 HN THR 10 -8.414 4.470 -1.327
79 HA THR 10 HA THR 10 -8.827 2.380 -3.317
80 HB THR 10 HB THR 10 -9.996 4.321 -4.568
81 HG1 THR 10 HG1 THR 10 -9.898 6.175 -3.579
82 HG21 THR 10 HG21 THR 10 -12.051 3.984 -3.292
83 HG22 THR 10 HG22 THR 10 -11.120 3.322 -1.949
84 HG23 THR 10 HG23 THR 10 -11.178 2.463 -3.488
85 H THR 11 HN THR 11 -6.855 5.235 -2.853
86 HA THR 11 HA THR 11 -5.937 5.234 -5.621
87 HB THR 11 HB THR 11 -4.452 7.146 -4.789
88 HG1 THR 11 HG1 THR 11 -5.680 6.397 -2.461
89 HG21 THR 11 HG21 THR 11 -6.333 8.759 -4.788
90 HG22 THR 11 HG22 THR 11 -7.459 7.408 -4.655
91 HG23 THR 11 HG23 THR 11 -6.448 7.577 -6.091
92 H GLY 12 HN GLY 12 -4.563 4.762 -2.368
93 HA2 GLY 12 HA2 GLY 12 -2.086 3.742 -3.573
94 HA3 GLY 12 HA1 GLY 12 -2.289 4.224 -1.896
95 H LEU 13 HN LEU 13 -2.530 1.675 -4.193
96 HA LEU 13 HA LEU 13 -3.196 -0.202 -2.031
97 HB2 LEU 13 HB2 LEU 13 -4.853 0.278 -4.120
98 HB3 LEU 13 HB1 LEU 13 -3.894 -1.030 -4.780
99 HG LEU 13 HG LEU 13 -5.177 -1.334 -2.085
100 HD11 LEU 13 HD11 LEU 13 -7.141 -2.300 -3.174
101 HD12 LEU 13 HD12 LEU 13 -6.505 -1.819 -4.747
102 HD13 LEU 13 HD13 LEU 13 -6.959 -0.591 -3.566
103 HD21 LEU 13 HD21 LEU 13 -4.445 -3.273 -4.281
104 HD22 LEU 13 HD22 LEU 13 -5.185 -3.702 -2.738
105 HD23 LEU 13 HD23 LEU 13 -3.559 -3.019 -2.778
106 HA PRO 14 HA PRO 14 -0.026 -2.472 -4.864
107 HB2 PRO 14 HB2 PRO 14 1.027 -0.659 -6.872
108 HB3 PRO 14 HB1 PRO 14 0.146 -2.177 -7.112
109 HG2 PRO 14 HG2 PRO 14 -0.876 0.237 -7.785
110 HG3 PRO 14 HG1 PRO 14 -1.877 -1.142 -7.289
111 HD2 PRO 14 HD2 PRO 14 -0.976 1.209 -5.661
112 HD3 PRO 14 HD1 PRO 14 -2.581 0.452 -5.749
113 H ALA 15 HN ALA 15 0.371 0.634 -3.602
114 HA ALA 15 HA ALA 15 3.212 0.900 -3.726
115 HB1 ALA 15 HB1 ALA 15 1.728 2.828 -3.454
116 HB2 ALA 15 HB2 ALA 15 2.915 2.732 -2.153
117 HB3 ALA 15 HB3 ALA 15 1.248 2.232 -1.866
118 H LEU 16 HN LEU 16 0.957 -0.393 -1.325
119 HA LEU 16 HA LEU 16 2.915 -0.833 0.710
120 HB2 LEU 16 HB2 LEU 16 0.282 -0.669 0.816
121 HB3 LEU 16 HB1 LEU 16 0.375 -2.402 0.575
122 HG LEU 16 HG LEU 16 2.071 -2.236 2.615
123 HD11 LEU 16 HD11 LEU 16 1.319 -0.568 4.242
124 HD12 LEU 16 HD12 LEU 16 0.244 0.128 3.029
125 HD13 LEU 16 HD13 LEU 16 1.991 0.189 2.797
126 HD21 LEU 16 HD21 LEU 16 -0.934 -2.173 2.855
127 HD22 LEU 16 HD22 LEU 16 0.179 -2.723 4.108
128 HD23 LEU 16 HD23 LEU 16 0.069 -3.598 2.581
129 H ILE 17 HN ILE 17 1.562 -2.758 -1.904
130 HA ILE 17 HA ILE 17 2.709 -5.261 -1.145
131 HB ILE 17 HB ILE 17 1.978 -4.545 -3.982
132 HG12 ILE 17 HG12 ILE 17 0.050 -3.793 -2.722
133 HG13 ILE 17 HG11 ILE 17 -0.359 -5.297 -3.526
134 HG21 ILE 17 HG21 ILE 17 1.288 -6.929 -4.092
135 HG22 ILE 17 HG22 ILE 17 1.905 -7.141 -2.453
136 HG23 ILE 17 HG23 ILE 17 3.004 -6.693 -3.757
137 HD11 ILE 17 HD11 ILE 17 -0.070 -6.489 -1.387
138 HD12 ILE 17 HD12 ILE 17 -1.310 -5.238 -1.306
139 HD13 ILE 17 HD13 ILE 17 0.280 -4.951 -0.598
140 H SER 18 HN SER 18 3.724 -2.576 -3.197
141 HA SER 18 HA SER 18 6.064 -3.848 -4.249
142 HB2 SER 18 HB2 SER 18 5.275 -0.928 -4.149
143 HB3 SER 18 HB1 SER 18 6.644 -1.571 -5.056
144 HG SER 18 HG SER 18 3.888 -2.079 -5.459
145 H TRP 19 HN TRU 19 5.343 -1.914 -1.420
146 HA TRP 19 HA TRU 19 8.067 -1.338 -0.723
147 HB2 TRP 19 HB2 TRU 19 5.405 -0.845 0.452
148 HB3 TRP 19 HB1 TRU 19 6.715 -1.017 1.616
149 HD1 TRP 19 HD1 TRU 19 5.424 1.305 -1.120
150 HE1 TRP 19 HE1 TRU 19 6.708 3.537 -1.007
151 HE3 TRP 19 HE3 TRU 19 9.034 0.032 2.287
152 HZ2 TRP 19 HZ2 TRU 19 8.913 4.644 0.307
153 HZ3 TRP 19 HZ3 TRU 19 10.692 1.722 2.941
154 HH2 TRP 19 HH2 TRU 19 10.661 4.019 1.980
155 H ILE 20 HN ILE 20 5.711 -3.825 0.159
156 HA ILE 20 HA ILE 20 7.386 -5.024 2.167
157 HB ILE 20 HB ILE 20 5.765 -6.934 2.113
158 HG12 ILE 20 HG12 ILE 20 3.514 -5.983 0.893
159 HG13 ILE 20 HG11 ILE 20 4.760 -5.451 -0.233
160 HG21 ILE 20 HG21 ILE 20 5.498 -5.120 3.684
161 HG22 ILE 20 HG22 ILE 20 3.920 -5.682 3.132
162 HG23 ILE 20 HG23 ILE 20 4.597 -4.185 2.491
163 HD11 ILE 20 HD11 ILE 20 3.942 -7.580 -0.937
164 HD12 ILE 20 HD12 ILE 20 4.207 -8.266 0.666
165 HD13 ILE 20 HD13 ILE 20 5.584 -7.790 -0.327
166 H LYS 21 HN LYS 21 6.855 -5.476 -1.261
167 HA LYS 21 HA LYS 21 8.279 -7.959 -1.479
168 HB2 LYS 21 HB2 LYS 21 7.223 -5.960 -3.455
169 HB3 LYS 21 HB1 LYS 21 8.290 -7.253 -3.983
170 HG2 LYS 21 HG2 LYS 21 6.700 -8.894 -3.027
171 HG3 LYS 21 HG1 LYS 21 5.611 -7.559 -2.646
172 HD2 LYS 21 HD2 LYS 21 5.401 -6.999 -4.979
173 HD3 LYS 21 HD1 LYS 21 6.615 -8.203 -5.416
174 HE2 LYS 21 HE2 LYS 21 5.150 -9.982 -4.612
175 HE3 LYS 21 HE1 LYS 21 3.941 -8.786 -4.147
176 HZ1 LYS 21 HZ1 LYS 21 3.429 -9.811 -6.281
177 HZ2 LYS 21 HZ2 LYS 21 4.901 -9.271 -6.916
178 HZ3 LYS 21 HZ3 LYS 21 3.716 -8.153 -6.461
179 H ARG 22 HN ARG 22 9.094 -4.548 -1.779
180 HA ARG 22 HA ARG 22 11.759 -5.027 -2.775
181 HB2 ARG 22 HB2 ARG 22 10.265 -2.575 -1.888
182 HB3 ARG 22 HB1 ARG 22 11.996 -2.514 -2.188
183 HG2 ARG 22 HG2 ARG 22 11.570 -3.365 -4.484
184 HG3 ARG 22 HG1 ARG 22 9.840 -3.239 -4.160
185 HD2 ARG 22 HD2 ARG 22 10.027 -0.860 -3.829
186 HD3 ARG 22 HD1 ARG 22 11.782 -0.941 -3.974
187 HE ARG 22 HE ARG 22 10.277 -1.879 -6.270
188 HH11 ARG 22 HH12 ARG 22 11.981 0.826 -4.814
189 HH12 ARG 22 HH11 ARG 22 12.207 1.644 -6.324
190 HH21 ARG 22 HH21 ARG 22 10.588 -0.791 -8.235
191 HH22 ARG 22 HH22 ARG 22 11.419 0.729 -8.258
192 H LYS 23 HN LYS 23 10.244 -4.702 0.333
193 HA LYS 23 HA LYS 23 12.726 -4.267 1.771
194 HB2 LYS 23 HB2 LYS 23 9.846 -4.367 2.465
195 HB3 LYS 23 HB1 LYS 23 10.970 -4.853 3.726
196 HG2 LYS 23 HG2 LYS 23 12.146 -2.700 3.465
197 HG3 LYS 23 HG1 LYS 23 10.934 -2.215 2.278
198 HD2 LYS 23 HD2 LYS 23 9.198 -2.269 3.909
199 HD3 LYS 23 HD1 LYS 23 10.250 -3.050 5.091
200 HE2 LYS 23 HE2 LYS 23 10.845 -0.330 3.963
201 HE3 LYS 23 HE1 LYS 23 9.818 -0.551 5.378
202 HZ1 LYS 23 HZ1 LYS 23 11.658 -1.661 6.489
203 HZ2 LYS 23 HZ2 LYS 23 12.106 -0.103 6.006
204 HZ3 LYS 23 HZ3 LYS 23 12.641 -1.446 5.129
205 H ARG 24 HN ARG 24 10.734 -6.931 0.798
206 HA ARG 24 HA ARG 24 11.985 -8.807 2.643
207 HB2 ARG 24 HB2 ARG 24 9.482 -8.719 1.690
208 HB3 ARG 24 HB1 ARG 24 10.199 -9.753 0.464
209 HG2 ARG 24 HG2 ARG 24 10.926 -11.314 2.196
210 HG3 ARG 24 HG1 ARG 24 10.217 -10.272 3.432
211 HD2 ARG 24 HD2 ARG 24 8.010 -10.566 2.356
212 HD3 ARG 24 HD1 ARG 24 8.747 -11.683 1.208
213 HE ARG 24 HE ARG 24 9.292 -12.529 3.842
214 HH11 ARG 24 HH11 ARG 24 6.619 -12.377 1.569
215 HH12 ARG 24 HH12 ARG 24 5.796 -13.730 2.271
216 HH21 ARG 24 HH22 ARG 24 8.193 -14.292 4.747
217 HH22 ARG 24 HH21 ARG 24 6.687 -14.812 4.068
218 H GLN 25 HN GLN 25 12.144 -7.870 -0.733
219 HA GLN 25 HA GLN 25 13.882 -10.115 -1.412
220 HB2 GLN 25 HB2 GLN 25 12.642 -7.914 -3.056
221 HB3 GLN 25 HB1 GLN 25 13.853 -9.005 -3.713
222 HG2 GLN 25 HG2 GLN 25 12.399 -10.911 -3.227
223 HG3 GLN 25 HG1 GLN 25 11.186 -9.817 -2.571
224 HE21 GLN 25 HE21 GLN 25 9.615 -10.372 -4.024
225 HE22 GLN 25 HE22 GLN 25 9.682 -9.961 -5.700
226 H GLN 26 HN GLN 26 14.024 -6.569 -1.221
227 HA GLN 26 HA GLN 26 16.936 -6.681 -1.577
228 HB2 GLN 26 HB2 GLN 26 14.958 -4.420 -1.828
229 HB3 GLN 26 HB1 GLN 26 16.692 -4.143 -1.764
230 HG2 GLN 26 HG2 GLN 26 16.991 -5.503 -3.766
231 HG3 GLN 26 HG1 GLN 26 15.254 -5.801 -3.826
232 HE21 GLN 26 HE21 GLN 26 17.785 -3.468 -4.291
233 HE22 GLN 26 HE22 GLN 26 16.834 -2.303 -5.142
234 HN1 NH2 27 H1 GLN 26 14.492 -5.180 0.505
235 HN2 NH2 27 H2 GLN 26 15.504 -5.029 1.897
236 HC1 3UQ 101 HC1 TRU 19 7.356 1.376 5.127
237 HC2 3UQ 101 HC2 TRU 19 9.111 3.427 5.400
238 HC3 3UQ 101 HC3 TRU 19 8.126 5.560 4.041
239 HC4 3UQ 101 HC4 TRU 19 5.296 2.240 3.594
240 HC5 3UQ 101 HC5 TRU 19 5.765 4.824 2.925
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -14.013 9.469 9.673
2 H2 GLY 1 HT2 GLY 1 -13.409 9.388 8.095
3 H3 GLY 1 HT3 GLY 1 -13.139 8.110 9.171
4 HA2 GLY 1 HA1 GLY 1 -15.513 7.638 9.249
5 HA3 GLY 1 HA2 GLY 1 -15.784 8.954 8.118
6 H ILE 2 HN ILE 2 -16.840 7.241 6.859
7 HA ILE 2 HA ILE 2 -15.410 5.057 5.738
8 HB ILE 2 HB ILE 2 -17.793 6.331 4.393
9 HG12 ILE 2 HG12 ILE 2 -18.338 4.183 6.350
10 HG13 ILE 2 HG11 ILE 2 -17.863 5.723 7.057
11 HG21 ILE 2 HG21 ILE 2 -18.319 3.999 3.790
12 HG22 ILE 2 HG22 ILE 2 -16.859 3.467 4.624
13 HG23 ILE 2 HG23 ILE 2 -16.734 4.497 3.198
14 HD11 ILE 2 HD11 ILE 2 -20.279 5.524 6.897
15 HD12 ILE 2 HD12 ILE 2 -20.155 5.292 5.153
16 HD13 ILE 2 HD13 ILE 2 -19.684 6.832 5.873
17 H GLY 3 HN GLY 3 -16.155 8.317 4.526
18 HA2 GLY 3 HA2 GLY 3 -14.924 7.993 1.975
19 HA3 GLY 3 HA1 GLY 3 -15.371 9.517 2.722
20 H ALA 4 HN ALA 4 -13.699 8.853 5.121
21 HA ALA 4 HA ALA 4 -11.242 10.018 4.193
22 HB1 ALA 4 HB1 ALA 4 -11.945 9.017 6.951
23 HB2 ALA 4 HB2 ALA 4 -12.260 10.644 6.348
24 HB3 ALA 4 HB3 ALA 4 -10.600 10.076 6.527
25 H VAL 5 HN VAL 5 -12.186 6.866 5.582
26 HA VAL 5 HA VAL 5 -9.547 5.771 5.422
27 HB VAL 5 HB VAL 5 -10.654 3.543 5.827
28 HG11 VAL 5 HG11 VAL 5 -11.261 4.058 8.155
29 HG12 VAL 5 HG12 VAL 5 -11.254 5.776 7.758
30 HG13 VAL 5 HG13 VAL 5 -9.763 4.841 7.654
31 HG21 VAL 5 HG21 VAL 5 -12.859 4.052 4.839
32 HG22 VAL 5 HG22 VAL 5 -13.168 5.185 6.154
33 HG23 VAL 5 HG23 VAL 5 -12.987 3.465 6.497
34 H LEU 6 HN LEU 6 -12.123 6.127 3.176
35 HA LEU 6 HA LEU 6 -11.193 4.059 1.366
36 HB2 LEU 6 HB2 LEU 6 -13.637 4.925 1.755
37 HB3 LEU 6 HB1 LEU 6 -13.178 6.179 0.622
38 HG LEU 6 HG LEU 6 -12.722 3.350 -0.200
39 HD11 LEU 6 HD11 LEU 6 -15.031 3.158 -0.991
40 HD12 LEU 6 HD12 LEU 6 -15.434 4.666 -0.171
41 HD13 LEU 6 HD13 LEU 6 -14.949 3.254 0.768
42 HD21 LEU 6 HD21 LEU 6 -12.045 5.212 -1.646
43 HD22 LEU 6 HD22 LEU 6 -13.705 5.805 -1.656
44 HD23 LEU 6 HD23 LEU 6 -13.322 4.247 -2.387
45 H LYS 7 HN LYS 7 -10.949 7.541 1.751
46 HA LYS 7 HA LYS 7 -9.703 7.949 -0.831
47 HB2 LYS 7 HB2 LYS 7 -10.416 9.750 1.462
48 HB3 LYS 7 HB1 LYS 7 -9.361 10.316 0.176
49 HG2 LYS 7 HG2 LYS 7 -11.976 9.085 -0.550
50 HG3 LYS 7 HG1 LYS 7 -11.947 10.733 0.081
51 HD2 LYS 7 HD2 LYS 7 -10.374 11.380 -1.682
52 HD3 LYS 7 HD1 LYS 7 -10.395 9.731 -2.309
53 HE2 LYS 7 HE2 LYS 7 -12.772 9.930 -2.796
54 HE3 LYS 7 HE1 LYS 7 -12.787 11.559 -2.120
55 HZ1 LYS 7 HZ1 LYS 7 -11.256 10.679 -4.510
56 HZ2 LYS 7 HZ2 LYS 7 -11.232 12.239 -3.855
57 HZ3 LYS 7 HZ3 LYS 7 -12.660 11.625 -4.521
58 H VAL 8 HN VAL 8 -8.623 7.067 2.295
59 HA VAL 8 HA VAL 8 -5.887 7.970 1.683
60 HB VAL 8 HB VAL 8 -7.002 7.116 4.373
61 HG11 VAL 8 HG11 VAL 8 -4.902 7.904 5.325
62 HG12 VAL 8 HG12 VAL 8 -4.302 8.305 3.716
63 HG13 VAL 8 HG13 VAL 8 -4.597 6.622 4.151
64 HG21 VAL 8 HG21 VAL 8 -6.276 9.856 3.335
65 HG22 VAL 8 HG22 VAL 8 -6.746 9.482 4.993
66 HG23 VAL 8 HG23 VAL 8 -7.902 9.264 3.680
67 H LEU 9 HN LEU 9 -7.810 5.105 2.518
68 HA LEU 9 HA LEU 9 -5.437 3.408 2.259
69 HB2 LEU 9 HB2 LEU 9 -8.234 2.845 3.216
70 HB3 LEU 9 HB1 LEU 9 -7.076 1.567 2.912
71 HG LEU 9 HG LEU 9 -5.569 2.929 4.578
72 HD11 LEU 9 HD11 LEU 9 -6.894 4.016 6.339
73 HD12 LEU 9 HD12 LEU 9 -8.342 3.823 5.352
74 HD13 LEU 9 HD13 LEU 9 -7.026 4.855 4.794
75 HD21 LEU 9 HD21 LEU 9 -6.494 1.615 6.428
76 HD22 LEU 9 HD22 LEU 9 -6.359 0.662 4.951
77 HD23 LEU 9 HD23 LEU 9 -7.931 1.277 5.463
78 H THR 10 HN THR 10 -8.598 3.928 0.727
79 HA THR 10 HA THR 10 -7.947 1.954 -1.332
80 HB THR 10 HB THR 10 -10.524 3.497 -1.328
81 HG1 THR 10 HG1 THR 10 -11.341 2.290 0.291
82 HG21 THR 10 HG21 THR 10 -10.121 1.982 -3.182
83 HG22 THR 10 HG22 THR 10 -11.408 1.338 -2.161
84 HG23 THR 10 HG23 THR 10 -9.782 0.660 -2.064
85 H THR 11 HN THR 11 -6.181 3.377 -2.042
86 HA THR 11 HA THR 11 -7.045 5.042 -4.264
87 HB THR 11 HB THR 11 -5.258 6.785 -3.616
88 HG1 THR 11 HG1 THR 11 -4.683 6.885 -1.502
89 HG21 THR 11 HG21 THR 11 -6.864 8.105 -2.354
90 HG22 THR 11 HG22 THR 11 -7.798 6.655 -1.988
91 HG23 THR 11 HG23 THR 11 -7.681 7.231 -3.650
92 H GLY 12 HN GLY 12 -4.281 3.777 -2.420
93 HA2 GLY 12 HA2 GLY 12 -3.021 2.985 -4.963
94 HA3 GLY 12 HA1 GLY 12 -2.083 3.854 -3.757
95 H LEU 13 HN LEU 13 -3.273 0.830 -4.788
96 HA LEU 13 HA LEU 13 -2.582 -0.511 -2.291
97 HB2 LEU 13 HB2 LEU 13 -3.919 -1.495 -4.804
98 HB3 LEU 13 HB1 LEU 13 -3.459 -2.556 -3.489
99 HG LEU 13 HG LEU 13 -4.908 -0.826 -2.076
100 HD11 LEU 13 HD11 LEU 13 -6.869 -0.099 -3.335
101 HD12 LEU 13 HD12 LEU 13 -6.144 -0.705 -4.824
102 HD13 LEU 13 HD13 LEU 13 -5.395 0.640 -3.963
103 HD21 LEU 13 HD21 LEU 13 -6.028 -3.056 -3.768
104 HD22 LEU 13 HD22 LEU 13 -6.818 -2.347 -2.359
105 HD23 LEU 13 HD23 LEU 13 -5.294 -3.216 -2.171
106 HA PRO 14 HA PRO 14 0.500 -2.591 -5.517
107 HB2 PRO 14 HB2 PRO 14 1.128 -0.317 -7.296
108 HB3 PRO 14 HB1 PRO 14 0.795 -2.009 -7.707
109 HG2 PRO 14 HG2 PRO 14 -0.960 -0.103 -8.268
110 HG3 PRO 14 HG1 PRO 14 -1.484 -1.709 -7.720
111 HD2 PRO 14 HD2 PRO 14 -1.277 0.837 -6.155
112 HD3 PRO 14 HD1 PRO 14 -2.576 -0.372 -6.169
113 H ALA 15 HN ALA 15 0.598 0.563 -4.148
114 HA ALA 15 HA ALA 15 3.428 0.966 -4.187
115 HB1 ALA 15 HB1 ALA 15 1.860 2.833 -3.987
116 HB2 ALA 15 HB2 ALA 15 2.999 2.799 -2.642
117 HB3 ALA 15 HB3 ALA 15 1.345 2.233 -2.410
118 H LEU 16 HN LEU 16 1.144 -0.303 -1.776
119 HA LEU 16 HA LEU 16 3.120 -0.717 0.251
120 HB2 LEU 16 HB2 LEU 16 0.257 -1.518 -0.098
121 HB3 LEU 16 HB1 LEU 16 1.212 -2.252 1.175
122 HG LEU 16 HG LEU 16 1.129 0.731 0.982
123 HD11 LEU 16 HD11 LEU 16 -0.877 0.756 2.400
124 HD12 LEU 16 HD12 LEU 16 -1.042 -0.987 2.177
125 HD13 LEU 16 HD13 LEU 16 -1.204 0.099 0.795
126 HD21 LEU 16 HD21 LEU 16 1.283 -1.224 3.280
127 HD22 LEU 16 HD22 LEU 16 1.314 0.534 3.427
128 HD23 LEU 16 HD23 LEU 16 2.626 -0.304 2.598
129 H ILE 17 HN ILE 17 1.741 -2.678 -2.315
130 HA ILE 17 HA ILE 17 2.806 -5.191 -1.469
131 HB ILE 17 HB ILE 17 2.138 -4.506 -4.333
132 HG12 ILE 17 HG12 ILE 17 0.205 -3.727 -3.097
133 HG13 ILE 17 HG11 ILE 17 -0.210 -5.230 -3.901
134 HG21 ILE 17 HG21 ILE 17 1.427 -6.886 -4.435
135 HG22 ILE 17 HG22 ILE 17 2.024 -7.093 -2.788
136 HG23 ILE 17 HG23 ILE 17 3.142 -6.666 -4.083
137 HD11 ILE 17 HD11 ILE 17 0.035 -6.421 -1.759
138 HD12 ILE 17 HD12 ILE 17 -1.184 -5.149 -1.688
139 HD13 ILE 17 HD13 ILE 17 0.405 -4.889 -0.967
140 H SER 18 HN SER 18 3.918 -2.613 -3.619
141 HA SER 18 HA SER 18 6.254 -3.979 -4.552
142 HB2 SER 18 HB2 SER 18 5.474 -1.057 -4.623
143 HB3 SER 18 HB1 SER 18 6.906 -1.717 -5.411
144 HG SER 18 HG SER 18 5.458 -3.104 -6.589
145 H TRP 19 HN TRU 19 5.519 -1.890 -1.838
146 HA TRP 19 HA TRU 19 8.238 -1.341 -1.114
147 HB2 TRP 19 HB2 TRU 19 5.565 -0.742 -0.020
148 HB3 TRP 19 HB1 TRU 19 6.846 -0.884 1.179
149 HD1 TRP 19 HD1 TRU 19 5.940 1.191 -1.954
150 HE1 TRP 19 HE1 TRU 19 7.159 3.457 -1.808
151 HE3 TRP 19 HE3 TRU 19 8.774 0.355 2.230
152 HZ2 TRP 19 HZ2 TRU 19 9.040 4.748 -0.185
153 HZ3 TRP 19 HZ3 TRU 19 10.252 2.143 3.039
154 HH2 TRP 19 HH2 TRU 19 10.407 4.334 1.864
155 H ILE 20 HN ILE 20 5.816 -3.738 -0.151
156 HA ILE 20 HA ILE 20 7.432 -4.871 1.940
157 HB ILE 20 HB ILE 20 5.782 -6.758 1.941
158 HG12 ILE 20 HG12 ILE 20 3.568 -5.828 0.640
159 HG13 ILE 20 HG11 ILE 20 4.841 -5.368 -0.487
160 HG21 ILE 20 HG21 ILE 20 5.512 -4.887 3.432
161 HG22 ILE 20 HG22 ILE 20 3.933 -5.426 2.860
162 HG23 ILE 20 HG23 ILE 20 4.667 -3.972 2.183
163 HD11 ILE 20 HD11 ILE 20 4.012 -7.510 -1.116
164 HD12 ILE 20 HD12 ILE 20 4.214 -8.128 0.523
165 HD13 ILE 20 HD13 ILE 20 5.630 -7.725 -0.447
166 H LYS 21 HN LYS 21 6.968 -5.476 -1.474
167 HA LYS 21 HA LYS 21 8.345 -7.996 -1.530
168 HB2 LYS 21 HB2 LYS 21 7.351 -6.094 -3.628
169 HB3 LYS 21 HB1 LYS 21 8.410 -7.426 -4.070
170 HG2 LYS 21 HG2 LYS 21 6.787 -8.996 -3.058
171 HG3 LYS 21 HG1 LYS 21 5.712 -7.632 -2.750
172 HD2 LYS 21 HD2 LYS 21 5.510 -7.189 -5.105
173 HD3 LYS 21 HD1 LYS 21 6.726 -8.413 -5.480
174 HE2 LYS 21 HE2 LYS 21 5.268 -10.158 -4.638
175 HE3 LYS 21 HE1 LYS 21 4.069 -8.957 -4.160
176 HZ1 LYS 21 HZ1 LYS 21 3.488 -10.011 -6.254
177 HZ2 LYS 21 HZ2 LYS 21 4.947 -9.507 -6.945
178 HZ3 LYS 21 HZ3 LYS 21 3.790 -8.362 -6.485
179 H ARG 22 HN ARG 22 9.234 -4.624 -1.941
180 HA ARG 22 HA ARG 22 11.900 -5.196 -2.891
181 HB2 ARG 22 HB2 ARG 22 10.448 -2.680 -2.118
182 HB3 ARG 22 HB1 ARG 22 12.182 -2.669 -2.410
183 HG2 ARG 22 HG2 ARG 22 11.810 -3.515 -4.673
184 HG3 ARG 22 HG1 ARG 22 10.070 -3.527 -4.380
185 HD2 ARG 22 HD2 ARG 22 10.120 -1.103 -4.025
186 HD3 ARG 22 HD1 ARG 22 11.857 -1.096 -4.329
187 HE ARG 22 HE ARG 22 10.606 -2.276 -6.527
188 HH11 ARG 22 HH12 ARG 22 10.765 0.894 -5.019
189 HH12 ARG 22 HH11 ARG 22 10.483 1.739 -6.504
190 HH21 ARG 22 HH21 ARG 22 10.238 -1.147 -8.454
191 HH22 ARG 22 HH22 ARG 22 10.184 0.584 -8.445
192 H LYS 23 HN LYS 23 10.345 -4.701 0.177
193 HA LYS 23 HA LYS 23 12.824 -4.279 1.629
194 HB2 LYS 23 HB2 LYS 23 9.926 -4.355 2.355
195 HB3 LYS 23 HB1 LYS 23 11.125 -4.592 3.618
196 HG2 LYS 23 HG2 LYS 23 12.156 -2.440 3.005
197 HG3 LYS 23 HG1 LYS 23 10.884 -2.200 1.806
198 HD2 LYS 23 HD2 LYS 23 9.205 -2.085 3.485
199 HD3 LYS 23 HD1 LYS 23 10.319 -2.652 4.730
200 HE2 LYS 23 HE2 LYS 23 10.778 -0.097 3.218
201 HE3 LYS 23 HE1 LYS 23 9.786 -0.154 4.674
202 HZ1 LYS 23 HZ1 LYS 23 11.688 -1.020 5.889
203 HZ2 LYS 23 HZ2 LYS 23 12.067 0.464 5.173
204 HZ3 LYS 23 HZ3 LYS 23 12.636 -0.974 4.488
205 H ARG 24 HN ARG 24 10.767 -6.912 0.736
206 HA ARG 24 HA ARG 24 11.887 -8.745 2.704
207 HB2 ARG 24 HB2 ARG 24 9.428 -8.613 1.633
208 HB3 ARG 24 HB1 ARG 24 10.165 -9.732 0.496
209 HG2 ARG 24 HG2 ARG 24 10.747 -11.229 2.334
210 HG3 ARG 24 HG1 ARG 24 10.024 -10.101 3.484
211 HD2 ARG 24 HD2 ARG 24 7.859 -10.362 2.329
212 HD3 ARG 24 HD1 ARG 24 8.599 -11.544 1.251
213 HE ARG 24 HE ARG 24 9.023 -12.366 3.894
214 HH11 ARG 24 HH11 ARG 24 6.352 -12.017 1.640
215 HH12 ARG 24 HH12 ARG 24 5.417 -13.277 2.374
216 HH21 ARG 24 HH22 ARG 24 7.779 -14.010 4.839
217 HH22 ARG 24 HH21 ARG 24 6.225 -14.402 4.183
218 H GLN 25 HN GLN 25 12.118 -8.015 -0.730
219 HA GLN 25 HA GLN 25 13.835 -10.306 -1.255
220 HB2 GLN 25 HB2 GLN 25 12.732 -8.124 -3.019
221 HB3 GLN 25 HB1 GLN 25 13.907 -9.298 -3.595
222 HG2 GLN 25 HG2 GLN 25 12.353 -11.112 -3.082
223 HG3 GLN 25 HG1 GLN 25 11.178 -9.941 -2.492
224 HE21 GLN 25 HE21 GLN 25 9.609 -10.455 -3.956
225 HE22 GLN 25 HE22 GLN 25 9.733 -10.116 -5.645
226 H GLN 26 HN GLN 26 14.083 -6.766 -1.142
227 HA GLN 26 HA GLN 26 17.004 -6.989 -1.386
228 HB2 GLN 26 HB2 GLN 26 15.123 -4.679 -1.850
229 HB3 GLN 26 HB1 GLN 26 16.861 -4.458 -1.714
230 HG2 GLN 26 HG2 GLN 26 17.205 -5.936 -3.623
231 HG3 GLN 26 HG1 GLN 26 15.463 -6.174 -3.755
232 HE21 GLN 26 HE21 GLN 26 18.101 -3.959 -4.204
233 HE22 GLN 26 HE22 GLN 26 17.240 -2.808 -5.163
234 HN1 NH2 27 H1 GLN 26 14.522 -5.298 0.499
235 HN2 NH2 27 H2 GLN 26 15.477 -5.102 1.925
236 HC1 3UQ 101 HC1 TRU 19 6.540 1.926 4.517
237 HC2 3UQ 101 HC2 TRU 19 8.187 4.040 4.934
238 HC3 3UQ 101 HC3 TRU 19 7.492 6.002 3.194
239 HC4 3UQ 101 HC4 TRU 19 4.836 2.580 2.514
240 HC5 3UQ 101 HC5 TRU 19 5.418 5.099 1.697
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -12.766 8.574 9.587
2 H2 GLY 1 HT2 GLY 1 -14.020 7.659 10.260
3 H3 GLY 1 HT3 GLY 1 -13.883 9.304 10.628
4 HA2 GLY 1 HA1 GLY 1 -15.660 8.951 9.044
5 HA3 GLY 1 HA2 GLY 1 -14.359 9.902 8.344
6 H ILE 2 HN ILE 2 -16.495 7.695 7.538
7 HA ILE 2 HA ILE 2 -15.107 5.558 6.362
8 HB ILE 2 HB ILE 2 -17.537 5.546 6.815
9 HG12 ILE 2 HG12 ILE 2 -18.220 4.591 4.463
10 HG13 ILE 2 HG11 ILE 2 -16.515 4.815 4.094
11 HG21 ILE 2 HG21 ILE 2 -19.128 6.560 5.259
12 HG22 ILE 2 HG22 ILE 2 -17.795 7.345 4.413
13 HG23 ILE 2 HG23 ILE 2 -18.150 7.772 6.087
14 HD11 ILE 2 HD11 ILE 2 -17.624 3.152 6.346
15 HD12 ILE 2 HD12 ILE 2 -15.916 3.363 5.957
16 HD13 ILE 2 HD13 ILE 2 -16.985 2.542 4.819
17 H GLY 3 HN GLY 3 -15.863 8.767 5.121
18 HA2 GLY 3 HA2 GLY 3 -15.115 8.289 2.410
19 HA3 GLY 3 HA1 GLY 3 -15.326 9.858 3.167
20 H ALA 4 HN ALA 4 -13.332 9.355 5.253
21 HA ALA 4 HA ALA 4 -10.992 10.176 3.804
22 HB1 ALA 4 HB1 ALA 4 -9.971 10.479 5.977
23 HB2 ALA 4 HB2 ALA 4 -11.285 9.589 6.749
24 HB3 ALA 4 HB3 ALA 4 -11.603 11.147 5.985
25 H VAL 5 HN VAL 5 -11.862 7.319 5.763
26 HA VAL 5 HA VAL 5 -9.389 5.974 5.471
27 HB VAL 5 HB VAL 5 -10.708 3.871 6.047
28 HG11 VAL 5 HG11 VAL 5 -10.989 4.534 8.383
29 HG12 VAL 5 HG12 VAL 5 -10.873 6.230 7.914
30 HG13 VAL 5 HG13 VAL 5 -9.487 5.160 7.703
31 HG21 VAL 5 HG21 VAL 5 -12.914 4.618 5.235
32 HG22 VAL 5 HG22 VAL 5 -12.944 5.848 6.499
33 HG23 VAL 5 HG23 VAL 5 -12.957 4.138 6.933
34 H LEU 6 HN LEU 6 -12.334 5.979 3.539
35 HA LEU 6 HA LEU 6 -11.552 3.860 1.783
36 HB2 LEU 6 HB2 LEU 6 -13.920 4.769 2.306
37 HB3 LEU 6 HB1 LEU 6 -13.560 5.990 1.103
38 HG LEU 6 HG LEU 6 -13.021 3.893 -0.409
39 HD11 LEU 6 HD11 LEU 6 -14.525 2.015 0.080
40 HD12 LEU 6 HD12 LEU 6 -14.942 2.762 1.622
41 HD13 LEU 6 HD13 LEU 6 -13.291 2.216 1.325
42 HD21 LEU 6 HD21 LEU 6 -15.805 4.821 0.278
43 HD22 LEU 6 HD22 LEU 6 -15.365 3.914 -1.169
44 HD23 LEU 6 HD23 LEU 6 -14.719 5.536 -0.914
45 H LYS 7 HN LYS 7 -11.322 7.397 1.684
46 HA LYS 7 HA LYS 7 -10.349 7.525 -1.010
47 HB2 LYS 7 HB2 LYS 7 -11.486 9.359 0.541
48 HB3 LYS 7 HB1 LYS 7 -9.812 9.730 0.928
49 HG2 LYS 7 HG2 LYS 7 -9.351 10.063 -1.465
50 HG3 LYS 7 HG1 LYS 7 -11.050 9.742 -1.820
51 HD2 LYS 7 HD2 LYS 7 -11.661 11.659 -0.363
52 HD3 LYS 7 HD1 LYS 7 -9.944 12.007 -0.159
53 HE2 LYS 7 HE2 LYS 7 -10.683 13.460 -1.857
54 HE3 LYS 7 HE1 LYS 7 -9.821 12.166 -2.687
55 HZ1 LYS 7 HZ1 LYS 7 -11.968 11.124 -3.167
56 HZ2 LYS 7 HZ2 LYS 7 -11.867 12.678 -3.828
57 HZ3 LYS 7 HZ3 LYS 7 -12.770 12.415 -2.421
58 H VAL 8 HN VAL 8 -8.889 6.620 1.908
59 HA VAL 8 HA VAL 8 -6.206 7.241 0.870
60 HB VAL 8 HB VAL 8 -6.838 8.203 3.117
61 HG11 VAL 8 HG11 VAL 8 -7.946 5.937 3.804
62 HG12 VAL 8 HG12 VAL 8 -7.164 6.956 5.014
63 HG13 VAL 8 HG13 VAL 8 -6.321 5.547 4.367
64 HG21 VAL 8 HG21 VAL 8 -4.676 7.695 4.177
65 HG22 VAL 8 HG22 VAL 8 -4.521 8.053 2.457
66 HG23 VAL 8 HG23 VAL 8 -4.436 6.384 3.022
67 H LEU 9 HN LEU 9 -8.381 4.711 1.142
68 HA LEU 9 HA LEU 9 -6.259 2.685 1.345
69 HB2 LEU 9 HB2 LEU 9 -9.187 2.612 1.951
70 HB3 LEU 9 HB1 LEU 9 -8.344 1.126 1.561
71 HG LEU 9 HG LEU 9 -7.328 2.916 3.750
72 HD11 LEU 9 HD11 LEU 9 -8.642 1.602 5.350
73 HD12 LEU 9 HD12 LEU 9 -9.465 0.804 4.010
74 HD13 LEU 9 HD13 LEU 9 -9.671 2.537 4.265
75 HD21 LEU 9 HD21 LEU 9 -6.460 0.793 4.627
76 HD22 LEU 9 HD22 LEU 9 -5.871 1.110 2.996
77 HD23 LEU 9 HD23 LEU 9 -7.166 -0.059 3.254
78 H THR 10 HN THR 10 -9.046 3.639 -0.662
79 HA THR 10 HA THR 10 -8.498 1.538 -2.589
80 HB THR 10 HB THR 10 -10.369 2.550 -3.907
81 HG1 THR 10 HG1 THR 10 -11.010 4.480 -3.379
82 HG21 THR 10 HG21 THR 10 -12.143 1.847 -2.382
83 HG22 THR 10 HG22 THR 10 -11.020 1.920 -1.024
84 HG23 THR 10 HG23 THR 10 -10.777 0.734 -2.307
85 H THR 11 HN THR 11 -6.990 4.377 -2.028
86 HA THR 11 HA THR 11 -6.653 5.158 -4.828
87 HB THR 11 HB THR 11 -5.202 7.002 -3.819
88 HG1 THR 11 HG1 THR 11 -6.551 6.578 -1.403
89 HG21 THR 11 HG21 THR 11 -7.129 8.359 -3.200
90 HG22 THR 11 HG22 THR 11 -8.113 6.907 -3.015
91 HG23 THR 11 HG23 THR 11 -7.505 7.364 -4.606
92 H GLY 12 HN GLY 12 -4.706 4.069 -2.059
93 HA2 GLY 12 HA2 GLY 12 -2.495 3.487 -3.932
94 HA3 GLY 12 HA1 GLY 12 -2.266 3.891 -2.238
95 H LEU 13 HN LEU 13 -2.324 1.424 -4.427
96 HA LEU 13 HA LEU 13 -2.697 -0.574 -2.308
97 HB2 LEU 13 HB2 LEU 13 -3.930 -0.487 -5.012
98 HB3 LEU 13 HB1 LEU 13 -3.429 -2.051 -4.404
99 HG LEU 13 HG LEU 13 -4.831 -1.319 -2.287
100 HD11 LEU 13 HD11 LEU 13 -6.794 -0.004 -2.901
101 HD12 LEU 13 HD12 LEU 13 -6.113 0.278 -4.503
102 HD13 LEU 13 HD13 LEU 13 -5.314 0.939 -3.076
103 HD21 LEU 13 HD21 LEU 13 -6.063 -2.267 -4.870
104 HD22 LEU 13 HD22 LEU 13 -6.779 -2.435 -3.268
105 HD23 LEU 13 HD23 LEU 13 -5.277 -3.276 -3.655
106 HA PRO 14 HA PRO 14 0.639 -2.321 -5.372
107 HB2 PRO 14 HB2 PRO 14 1.539 -0.090 -7.039
108 HB3 PRO 14 HB1 PRO 14 0.961 -1.689 -7.537
109 HG2 PRO 14 HG2 PRO 14 -0.449 0.540 -8.007
110 HG3 PRO 14 HG1 PRO 14 -1.221 -1.023 -7.667
111 HD2 PRO 14 HD2 PRO 14 -0.763 1.290 -5.816
112 HD3 PRO 14 HD1 PRO 14 -2.216 0.294 -6.034
113 H ALA 15 HN ALA 15 0.709 0.633 -3.719
114 HA ALA 15 HA ALA 15 3.541 1.066 -3.631
115 HB1 ALA 15 HB1 ALA 15 1.944 2.894 -3.315
116 HB2 ALA 15 HB2 ALA 15 3.033 2.738 -1.936
117 HB3 ALA 15 HB3 ALA 15 1.377 2.140 -1.824
118 H LEU 16 HN LEU 16 1.177 -0.483 -1.491
119 HA LEU 16 HA LEU 16 3.069 -1.078 0.583
120 HB2 LEU 16 HB2 LEU 16 0.286 -2.122 0.053
121 HB3 LEU 16 HB1 LEU 16 1.229 -2.527 1.473
122 HG LEU 16 HG LEU 16 1.313 0.116 1.736
123 HD11 LEU 16 HD11 LEU 16 -0.783 1.152 1.062
124 HD12 LEU 16 HD12 LEU 16 -1.282 -0.341 0.267
125 HD13 LEU 16 HD13 LEU 16 0.102 0.565 -0.346
126 HD21 LEU 16 HD21 LEU 16 -1.028 -1.631 2.483
127 HD22 LEU 16 HD22 LEU 16 -0.663 -0.060 3.198
128 HD23 LEU 16 HD23 LEU 16 0.458 -1.406 3.407
129 H ILE 17 HN ILE 17 1.814 -2.748 -2.233
130 HA ILE 17 HA ILE 17 2.845 -5.343 -1.612
131 HB ILE 17 HB ILE 17 2.297 -4.391 -4.421
132 HG12 ILE 17 HG12 ILE 17 0.334 -3.643 -3.223
133 HG13 ILE 17 HG11 ILE 17 -0.092 -5.072 -4.148
134 HG21 ILE 17 HG21 ILE 17 1.545 -6.719 -4.766
135 HG22 ILE 17 HG22 ILE 17 1.999 -7.086 -3.102
136 HG23 ILE 17 HG23 ILE 17 3.232 -6.599 -4.265
137 HD11 ILE 17 HD11 ILE 17 0.003 -6.414 -2.093
138 HD12 ILE 17 HD12 ILE 17 -1.155 -5.090 -1.968
139 HD13 ILE 17 HD13 ILE 17 0.416 -4.965 -1.176
140 H SER 18 HN SER 18 3.988 -2.587 -3.523
141 HA SER 18 HA SER 18 6.389 -3.845 -4.444
142 HB2 SER 18 HB2 SER 18 5.575 -0.931 -4.348
143 HB3 SER 18 HB1 SER 18 7.024 -1.537 -5.151
144 HG SER 18 HG SER 18 5.813 -2.476 -6.674
145 H TRP 19 HN TRU 19 5.468 -2.064 -1.600
146 HA TRP 19 HA TRU 19 8.119 -1.437 -0.705
147 HB2 TRP 19 HB2 TRU 19 5.391 -0.988 0.220
148 HB3 TRP 19 HB1 TRU 19 6.491 -1.375 1.540
149 HD1 TRP 19 HD1 TRU 19 5.588 1.388 -0.867
150 HE1 TRP 19 HE1 TRU 19 7.002 3.481 -0.352
151 HE3 TRP 19 HE3 TRU 19 8.944 -0.651 2.423
152 HZ2 TRP 19 HZ2 TRU 19 9.210 4.212 1.204
153 HZ3 TRP 19 HZ3 TRU 19 10.672 0.792 3.401
154 HH2 TRP 19 HH2 TRU 19 10.833 3.209 2.818
155 H ILE 20 HN ILE 20 5.795 -4.037 -0.082
156 HA ILE 20 HA ILE 20 7.412 -5.289 1.945
157 HB ILE 20 HB ILE 20 5.834 -7.228 1.734
158 HG12 ILE 20 HG12 ILE 20 3.605 -6.260 0.493
159 HG13 ILE 20 HG11 ILE 20 4.869 -5.631 -0.559
160 HG21 ILE 20 HG21 ILE 20 5.484 -5.512 3.391
161 HG22 ILE 20 HG22 ILE 20 3.933 -6.056 2.753
162 HG23 ILE 20 HG23 ILE 20 4.614 -4.519 2.222
163 HD11 ILE 20 HD11 ILE 20 4.138 -7.729 -1.419
164 HD12 ILE 20 HD12 ILE 20 4.356 -8.507 0.148
165 HD13 ILE 20 HD13 ILE 20 5.759 -7.943 -0.758
166 H LYS 21 HN LYS 21 7.034 -5.588 -1.519
167 HA LYS 21 HA LYS 21 8.505 -8.039 -1.794
168 HB2 LYS 21 HB2 LYS 21 7.543 -5.951 -3.734
169 HB3 LYS 21 HB1 LYS 21 8.604 -7.252 -4.256
170 HG2 LYS 21 HG2 LYS 21 6.939 -8.883 -3.421
171 HG3 LYS 21 HG1 LYS 21 5.864 -7.535 -3.044
172 HD2 LYS 21 HD2 LYS 21 5.775 -6.898 -5.368
173 HD3 LYS 21 HD1 LYS 21 6.972 -8.126 -5.786
174 HE2 LYS 21 HE2 LYS 21 5.424 -9.881 -5.110
175 HE3 LYS 21 HE1 LYS 21 4.234 -8.668 -4.641
176 HZ1 LYS 21 HZ1 LYS 21 3.754 -9.583 -6.823
177 HZ2 LYS 21 HZ2 LYS 21 5.271 -9.099 -7.391
178 HZ3 LYS 21 HZ3 LYS 21 4.127 -7.937 -6.942
179 H ARG 22 HN ARG 22 9.272 -4.610 -1.899
180 HA ARG 22 HA ARG 22 11.993 -4.999 -2.784
181 HB2 ARG 22 HB2 ARG 22 10.388 -2.622 -1.899
182 HB3 ARG 22 HB1 ARG 22 12.133 -2.504 -2.070
183 HG2 ARG 22 HG2 ARG 22 11.936 -3.205 -4.416
184 HG3 ARG 22 HG1 ARG 22 10.181 -3.264 -4.234
185 HD2 ARG 22 HD2 ARG 22 10.120 -0.893 -3.747
186 HD3 ARG 22 HD1 ARG 22 11.880 -0.810 -3.805
187 HE ARG 22 HE ARG 22 10.829 -1.816 -6.242
188 HH11 ARG 22 HH12 ARG 22 11.255 1.192 -4.477
189 HH12 ARG 22 HH11 ARG 22 11.272 2.163 -5.911
190 HH21 ARG 22 HH21 ARG 22 10.854 -0.523 -8.104
191 HH22 ARG 22 HH22 ARG 22 11.044 1.193 -7.961
192 H LYS 23 HN LYS 23 10.314 -4.859 0.246
193 HA LYS 23 HA LYS 23 12.706 -4.397 1.829
194 HB2 LYS 23 HB2 LYS 23 10.155 -3.736 2.298
195 HB3 LYS 23 HB1 LYS 23 10.167 -5.304 3.092
196 HG2 LYS 23 HG2 LYS 23 12.007 -4.586 4.516
197 HG3 LYS 23 HG1 LYS 23 12.038 -3.022 3.700
198 HD2 LYS 23 HD2 LYS 23 9.725 -2.613 4.445
199 HD3 LYS 23 HD1 LYS 23 9.743 -4.156 5.300
200 HE2 LYS 23 HE2 LYS 23 11.733 -1.964 5.843
201 HE3 LYS 23 HE1 LYS 23 10.193 -2.084 6.690
202 HZ1 LYS 23 HZ1 LYS 23 10.835 -4.278 7.475
203 HZ2 LYS 23 HZ2 LYS 23 11.975 -3.121 7.945
204 HZ3 LYS 23 HZ3 LYS 23 12.313 -4.165 6.658
205 H ARG 24 HN ARG 24 10.858 -7.061 0.624
206 HA ARG 24 HA ARG 24 12.040 -8.996 2.453
207 HB2 ARG 24 HB2 ARG 24 9.880 -9.050 0.407
208 HB3 ARG 24 HB1 ARG 24 10.721 -10.557 0.742
209 HG2 ARG 24 HG2 ARG 24 10.172 -10.269 3.144
210 HG3 ARG 24 HG1 ARG 24 9.216 -8.849 2.710
211 HD2 ARG 24 HD2 ARG 24 7.705 -10.155 1.424
212 HD3 ARG 24 HD1 ARG 24 8.753 -11.570 1.511
213 HE ARG 24 HE ARG 24 7.851 -10.633 4.076
214 HH11 ARG 24 HH11 ARG 24 7.046 -12.709 1.360
215 HH12 ARG 24 HH12 ARG 24 5.990 -13.716 2.294
216 HH21 ARG 24 HH22 ARG 24 6.466 -11.966 5.280
217 HH22 ARG 24 HH21 ARG 24 5.663 -13.294 4.511
218 H GLN 25 HN GLN 25 12.314 -7.948 -0.893
219 HA GLN 25 HA GLN 25 14.188 -10.073 -1.561
220 HB2 GLN 25 HB2 GLN 25 12.959 -7.831 -3.155
221 HB3 GLN 25 HB1 GLN 25 14.246 -8.838 -3.801
222 HG2 GLN 25 HG2 GLN 25 12.842 -10.823 -3.482
223 HG3 GLN 25 HG1 GLN 25 11.550 -9.800 -2.862
224 HE21 GLN 25 HE21 GLN 25 10.105 -10.369 -4.445
225 HE22 GLN 25 HE22 GLN 25 10.263 -9.872 -6.092
226 H GLN 26 HN GLN 26 14.208 -6.543 -1.158
227 HA GLN 26 HA GLN 26 17.141 -6.562 -1.354
228 HB2 GLN 26 HB2 GLN 26 15.123 -4.341 -1.661
229 HB3 GLN 26 HB1 GLN 26 16.842 -4.026 -1.476
230 HG2 GLN 26 HG2 GLN 26 17.300 -5.316 -3.497
231 HG3 GLN 26 HG1 GLN 26 15.576 -5.641 -3.681
232 HE21 GLN 26 HE21 GLN 26 18.088 -3.253 -3.903
233 HE22 GLN 26 HE22 GLN 26 17.173 -2.074 -4.773
234 HN1 NH2 27 H1 GLN 26 14.525 -5.209 0.617
235 HN2 NH2 27 H2 GLN 26 15.445 -5.070 2.072
236 HC1 3UQ 101 HC1 TRU 19 7.221 0.344 5.377
237 HC2 3UQ 101 HC2 TRU 19 9.087 2.199 6.039
238 HC3 3UQ 101 HC3 TRU 19 8.305 4.583 5.003
239 HC4 3UQ 101 HC4 TRU 19 5.295 1.581 3.926
240 HC5 3UQ 101 HC5 TRU 19 5.959 4.199 3.697
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -12.797 8.309 10.047
2 H2 GLY 1 HT2 GLY 1 -13.203 9.932 10.297
3 H3 GLY 1 HT3 GLY 1 -12.401 9.470 8.882
4 HA2 GLY 1 HA1 GLY 1 -15.155 8.676 9.657
5 HA3 GLY 1 HA2 GLY 1 -14.743 9.880 8.446
6 H ILE 2 HN ILE 2 -16.340 7.575 8.007
7 HA ILE 2 HA ILE 2 -14.961 5.416 6.844
8 HB ILE 2 HB ILE 2 -17.147 5.000 5.582
9 HG12 ILE 2 HG12 ILE 2 -19.041 6.260 7.033
10 HG13 ILE 2 HG11 ILE 2 -17.823 7.531 6.997
11 HG21 ILE 2 HG21 ILE 2 -18.253 4.187 7.611
12 HG22 ILE 2 HG22 ILE 2 -17.149 5.155 8.588
13 HG23 ILE 2 HG23 ILE 2 -16.526 3.832 7.602
14 HD11 ILE 2 HD11 ILE 2 -19.472 7.741 5.197
15 HD12 ILE 2 HD12 ILE 2 -18.972 6.169 4.573
16 HD13 ILE 2 HD13 ILE 2 -17.834 7.517 4.583
17 H GLY 3 HN GLY 3 -16.135 8.433 5.427
18 HA2 GLY 3 HA2 GLY 3 -15.578 7.771 2.710
19 HA3 GLY 3 HA1 GLY 3 -15.874 9.381 3.346
20 H ALA 4 HN ALA 4 -13.669 9.206 5.283
21 HA ALA 4 HA ALA 4 -11.549 10.149 3.602
22 HB1 ALA 4 HB1 ALA 4 -11.564 9.667 6.581
23 HB2 ALA 4 HB2 ALA 4 -12.022 11.169 5.780
24 HB3 ALA 4 HB3 ALA 4 -10.360 10.590 5.682
25 H VAL 5 HN VAL 5 -11.980 7.310 5.722
26 HA VAL 5 HA VAL 5 -9.426 6.175 5.253
27 HB VAL 5 HB VAL 5 -10.497 3.998 6.046
28 HG11 VAL 5 HG11 VAL 5 -10.589 4.756 8.367
29 HG12 VAL 5 HG12 VAL 5 -10.679 6.429 7.818
30 HG13 VAL 5 HG13 VAL 5 -9.229 5.475 7.504
31 HG21 VAL 5 HG21 VAL 5 -12.824 4.483 5.452
32 HG22 VAL 5 HG22 VAL 5 -12.837 5.824 6.597
33 HG23 VAL 5 HG23 VAL 5 -12.662 4.170 7.182
34 H LEU 6 HN LEU 6 -12.545 5.768 3.647
35 HA LEU 6 HA LEU 6 -11.693 3.673 1.896
36 HB2 LEU 6 HB2 LEU 6 -14.076 5.498 1.965
37 HB3 LEU 6 HB1 LEU 6 -13.796 4.446 0.593
38 HG LEU 6 HG LEU 6 -13.861 3.267 3.345
39 HD11 LEU 6 HD11 LEU 6 -16.276 2.947 3.142
40 HD12 LEU 6 HD12 LEU 6 -16.286 3.936 1.682
41 HD13 LEU 6 HD13 LEU 6 -15.857 4.658 3.233
42 HD21 LEU 6 HD21 LEU 6 -14.695 2.248 0.627
43 HD22 LEU 6 HD22 LEU 6 -14.721 1.327 2.131
44 HD23 LEU 6 HD23 LEU 6 -13.185 1.867 1.455
45 H LYS 7 HN LYS 7 -11.639 7.169 1.779
46 HA LYS 7 HA LYS 7 -11.150 7.448 -1.021
47 HB2 LYS 7 HB2 LYS 7 -11.850 9.176 0.948
48 HB3 LYS 7 HB1 LYS 7 -10.140 9.550 0.793
49 HG2 LYS 7 HG2 LYS 7 -10.499 9.892 -1.648
50 HG3 LYS 7 HG1 LYS 7 -12.227 9.680 -1.375
51 HD2 LYS 7 HD2 LYS 7 -10.758 11.703 0.258
52 HD3 LYS 7 HD1 LYS 7 -11.124 12.084 -1.423
53 HE2 LYS 7 HE2 LYS 7 -12.911 12.965 -0.157
54 HE3 LYS 7 HE1 LYS 7 -13.533 11.491 -0.895
55 HZ1 LYS 7 HZ1 LYS 7 -14.179 11.660 1.424
56 HZ2 LYS 7 HZ2 LYS 7 -12.559 11.749 1.901
57 HZ3 LYS 7 HZ3 LYS 7 -13.156 10.333 1.196
58 H VAL 8 HN VAL 8 -9.083 7.138 1.828
59 HA VAL 8 HA VAL 8 -6.660 7.534 0.269
60 HB VAL 8 HB VAL 8 -5.462 7.036 2.446
61 HG11 VAL 8 HG11 VAL 8 -5.972 9.239 3.404
62 HG12 VAL 8 HG12 VAL 8 -7.400 9.343 2.374
63 HG13 VAL 8 HG13 VAL 8 -5.792 9.296 1.651
64 HG21 VAL 8 HG21 VAL 8 -7.283 5.796 3.568
65 HG22 VAL 8 HG22 VAL 8 -8.227 7.284 3.641
66 HG23 VAL 8 HG23 VAL 8 -6.708 7.160 4.528
67 H LEU 9 HN LEU 9 -8.654 4.912 1.115
68 HA LEU 9 HA LEU 9 -6.528 2.923 0.917
69 HB2 LEU 9 HB2 LEU 9 -9.201 3.009 2.038
70 HB3 LEU 9 HB1 LEU 9 -8.975 1.592 1.033
71 HG LEU 9 HG LEU 9 -6.798 1.257 2.443
72 HD11 LEU 9 HD11 LEU 9 -7.028 2.046 4.756
73 HD12 LEU 9 HD12 LEU 9 -8.439 2.992 4.285
74 HD13 LEU 9 HD13 LEU 9 -6.854 3.382 3.618
75 HD21 LEU 9 HD21 LEU 9 -9.551 0.769 3.569
76 HD22 LEU 9 HD22 LEU 9 -8.073 -0.051 4.075
77 HD23 LEU 9 HD23 LEU 9 -8.686 -0.269 2.435
78 H THR 10 HN THR 10 -8.991 4.350 -1.064
79 HA THR 10 HA THR 10 -8.975 2.195 -3.018
80 HB THR 10 HB THR 10 -10.459 3.768 -4.345
81 HG1 THR 10 HG1 THR 10 -11.159 5.613 -3.375
82 HG21 THR 10 HG21 THR 10 -12.421 3.388 -2.916
83 HG22 THR 10 HG22 THR 10 -11.357 3.000 -1.564
84 HG23 THR 10 HG23 THR 10 -11.386 1.962 -2.990
85 H THR 11 HN THR 11 -6.854 4.623 -2.354
86 HA THR 11 HA THR 11 -6.150 5.065 -5.181
87 HB THR 11 HB THR 11 -4.730 6.974 -4.251
88 HG1 THR 11 HG1 THR 11 -6.004 7.676 -2.172
89 HG21 THR 11 HG21 THR 11 -6.641 8.515 -4.153
90 HG22 THR 11 HG22 THR 11 -7.736 7.142 -3.997
91 HG23 THR 11 HG23 THR 11 -6.804 7.363 -5.478
92 H GLY 12 HN GLY 12 -4.719 4.406 -1.983
93 HA2 GLY 12 HA2 GLY 12 -2.194 3.639 -3.266
94 HA3 GLY 12 HA1 GLY 12 -2.435 3.914 -1.549
95 H LEU 13 HN LEU 13 -2.081 1.608 -3.950
96 HA LEU 13 HA LEU 13 -2.766 -0.533 -2.075
97 HB2 LEU 13 HB2 LEU 13 -4.526 -0.032 -4.000
98 HB3 LEU 13 HB1 LEU 13 -3.414 -0.998 -4.947
99 HG LEU 13 HG LEU 13 -3.679 -2.689 -2.931
100 HD11 LEU 13 HD11 LEU 13 -5.963 -2.679 -2.050
101 HD12 LEU 13 HD12 LEU 13 -6.266 -1.140 -2.857
102 HD13 LEU 13 HD13 LEU 13 -5.072 -1.237 -1.563
103 HD21 LEU 13 HD21 LEU 13 -5.735 -2.301 -5.102
104 HD22 LEU 13 HD22 LEU 13 -5.484 -3.784 -4.181
105 HD23 LEU 13 HD23 LEU 13 -4.213 -3.182 -5.245
106 HA PRO 14 HA PRO 14 0.565 -2.212 -5.140
107 HB2 PRO 14 HB2 PRO 14 1.523 -0.078 -6.855
108 HB3 PRO 14 HB1 PRO 14 0.740 -1.598 -7.319
109 HG2 PRO 14 HG2 PRO 14 -0.420 0.821 -7.668
110 HG3 PRO 14 HG1 PRO 14 -1.339 -0.672 -7.391
111 HD2 PRO 14 HD2 PRO 14 -0.609 1.478 -5.435
112 HD3 PRO 14 HD1 PRO 14 -2.160 0.642 -5.659
113 H ALA 15 HN ALA 15 0.807 0.822 -3.580
114 HA ALA 15 HA ALA 15 3.641 1.148 -3.588
115 HB1 ALA 15 HB1 ALA 15 2.100 3.015 -3.206
116 HB2 ALA 15 HB2 ALA 15 3.266 2.847 -1.893
117 HB3 ALA 15 HB3 ALA 15 1.607 2.288 -1.676
118 H LEU 16 HN LEU 16 1.356 -0.285 -1.273
119 HA LEU 16 HA LEU 16 3.313 -0.884 0.718
120 HB2 LEU 16 HB2 LEU 16 0.512 -1.905 0.266
121 HB3 LEU 16 HB1 LEU 16 1.494 -2.373 1.640
122 HG LEU 16 HG LEU 16 1.644 0.262 1.971
123 HD11 LEU 16 HD11 LEU 16 -0.484 1.334 1.423
124 HD12 LEU 16 HD12 LEU 16 -0.998 -0.120 0.567
125 HD13 LEU 16 HD13 LEU 16 0.372 0.817 -0.031
126 HD21 LEU 16 HD21 LEU 16 -0.715 -1.441 2.763
127 HD22 LEU 16 HD22 LEU 16 -0.247 0.080 3.523
128 HD23 LEU 16 HD23 LEU 16 0.822 -1.319 3.619
129 H ILE 17 HN ILE 17 1.935 -2.646 -1.997
130 HA ILE 17 HA ILE 17 3.022 -5.207 -1.361
131 HB ILE 17 HB ILE 17 2.342 -4.341 -4.167
132 HG12 ILE 17 HG12 ILE 17 0.431 -3.574 -2.891
133 HG13 ILE 17 HG11 ILE 17 -0.025 -5.024 -3.767
134 HG21 ILE 17 HG21 ILE 17 1.586 -6.691 -4.394
135 HG22 ILE 17 HG22 ILE 17 2.150 -6.996 -2.751
136 HG23 ILE 17 HG23 ILE 17 3.299 -6.532 -4.006
137 HD11 ILE 17 HD11 ILE 17 0.181 -6.323 -1.685
138 HD12 ILE 17 HD12 ILE 17 -0.994 -5.015 -1.546
139 HD13 ILE 17 HD13 ILE 17 0.604 -4.844 -0.821
140 H SER 18 HN SER 18 4.109 -2.477 -3.328
141 HA SER 18 HA SER 18 6.423 -3.762 -4.406
142 HB2 SER 18 HB2 SER 18 5.704 -0.830 -4.184
143 HB3 SER 18 HB1 SER 18 7.080 -1.457 -5.092
144 HG SER 18 HG SER 18 4.961 -2.821 -5.864
145 H TRP 19 HN TRU 19 5.766 -1.863 -1.526
146 HA TRP 19 HA TRU 19 8.498 -1.422 -0.796
147 HB2 TRP 19 HB2 TRU 19 5.845 -0.901 0.400
148 HB3 TRP 19 HB1 TRU 19 7.167 -1.108 1.543
149 HD1 TRP 19 HD1 TRU 19 6.201 1.129 -1.470
150 HE1 TRP 19 HE1 TRU 19 7.399 3.396 -1.208
151 HE3 TRP 19 HE3 TRU 19 9.044 0.109 2.670
152 HZ2 TRP 19 HZ2 TRU 19 9.266 4.621 0.479
153 HZ3 TRP 19 HZ3 TRU 19 10.504 1.867 3.569
154 HH2 TRP 19 HH2 TRU 19 10.638 4.117 2.507
155 H ILE 20 HN ILE 20 6.058 -3.853 0.037
156 HA ILE 20 HA ILE 20 7.685 -5.148 2.018
157 HB ILE 20 HB ILE 20 6.013 -7.006 1.924
158 HG12 ILE 20 HG12 ILE 20 3.797 -5.968 0.699
159 HG13 ILE 20 HG11 ILE 20 5.070 -5.477 -0.415
160 HG21 ILE 20 HG21 ILE 20 5.780 -5.216 3.523
161 HG22 ILE 20 HG22 ILE 20 4.191 -5.720 2.947
162 HG23 ILE 20 HG23 ILE 20 4.918 -4.232 2.340
163 HD11 ILE 20 HD11 ILE 20 4.185 -7.571 -1.136
164 HD12 ILE 20 HD12 ILE 20 4.405 -8.272 0.467
165 HD13 ILE 20 HD13 ILE 20 5.811 -7.845 -0.507
166 H LYS 21 HN LYS 21 7.119 -5.588 -1.422
167 HA LYS 21 HA LYS 21 8.468 -8.107 -1.640
168 HB2 LYS 21 HB2 LYS 21 7.512 -6.071 -3.632
169 HB3 LYS 21 HB1 LYS 21 8.497 -7.435 -4.140
170 HG2 LYS 21 HG2 LYS 21 6.805 -8.957 -3.149
171 HG3 LYS 21 HG1 LYS 21 5.800 -7.546 -2.811
172 HD2 LYS 21 HD2 LYS 21 5.655 -7.032 -5.165
173 HD3 LYS 21 HD1 LYS 21 6.777 -8.338 -5.552
174 HE2 LYS 21 HE2 LYS 21 5.185 -9.981 -4.754
175 HE3 LYS 21 HE1 LYS 21 4.078 -8.702 -4.257
176 HZ1 LYS 21 HZ1 LYS 21 3.401 -9.627 -6.363
177 HZ2 LYS 21 HZ2 LYS 21 4.917 -9.306 -7.041
178 HZ3 LYS 21 HZ3 LYS 21 3.906 -8.028 -6.589
179 H ARG 22 HN ARG 22 9.412 -4.729 -1.990
180 HA ARG 22 HA ARG 22 12.043 -5.313 -3.000
181 HB2 ARG 22 HB2 ARG 22 10.673 -2.804 -2.071
182 HB3 ARG 22 HB1 ARG 22 12.395 -2.819 -2.428
183 HG2 ARG 22 HG2 ARG 22 11.881 -3.614 -4.709
184 HG3 ARG 22 HG1 ARG 22 10.161 -3.483 -4.336
185 HD2 ARG 22 HD2 ARG 22 10.407 -1.097 -3.947
186 HD3 ARG 22 HD1 ARG 22 12.141 -1.210 -4.242
187 HE ARG 22 HE ARG 22 10.650 -2.190 -6.456
188 HH11 ARG 22 HH12 ARG 22 11.681 0.813 -4.953
189 HH12 ARG 22 HH11 ARG 22 11.611 1.710 -6.433
190 HH21 ARG 22 HH21 ARG 22 10.570 -0.994 -8.381
191 HH22 ARG 22 HH22 ARG 22 10.983 0.688 -8.369
192 H LYS 23 HN LYS 23 10.602 -4.839 0.146
193 HA LYS 23 HA LYS 23 13.148 -4.566 1.507
194 HB2 LYS 23 HB2 LYS 23 10.284 -4.574 2.371
195 HB3 LYS 23 HB1 LYS 23 11.549 -4.833 3.564
196 HG2 LYS 23 HG2 LYS 23 12.587 -2.696 2.849
197 HG3 LYS 23 HG1 LYS 23 11.204 -2.429 1.786
198 HD2 LYS 23 HD2 LYS 23 9.703 -2.329 3.639
199 HD3 LYS 23 HD1 LYS 23 10.954 -2.878 4.755
200 HE2 LYS 23 HE2 LYS 23 11.246 -0.338 3.181
201 HE3 LYS 23 HE1 LYS 23 10.392 -0.377 4.723
202 HZ1 LYS 23 HZ1 LYS 23 12.395 -1.225 5.771
203 HZ2 LYS 23 HZ2 LYS 23 12.709 0.248 5.001
204 HZ3 LYS 23 HZ3 LYS 23 13.213 -1.202 4.290
205 H ARG 24 HN ARG 24 11.044 -7.119 0.560
206 HA ARG 24 HA ARG 24 12.148 -9.022 2.479
207 HB2 ARG 24 HB2 ARG 24 9.665 -8.840 1.522
208 HB3 ARG 24 HB1 ARG 24 10.335 -9.882 0.276
209 HG2 ARG 24 HG2 ARG 24 11.027 -11.481 2.019
210 HG3 ARG 24 HG1 ARG 24 10.272 -10.447 3.234
211 HD2 ARG 24 HD2 ARG 24 8.109 -10.734 2.156
212 HD3 ARG 24 HD1 ARG 24 8.851 -11.725 0.901
213 HE ARG 24 HE ARG 24 9.370 -12.796 3.476
214 HH11 ARG 24 HH11 ARG 24 6.814 -12.559 1.079
215 HH12 ARG 24 HH12 ARG 24 6.027 -14.009 1.607
216 HH21 ARG 24 HH22 ARG 24 8.322 -14.692 4.150
217 HH22 ARG 24 HH21 ARG 24 6.880 -15.214 3.343
218 H GLN 25 HN GLN 25 12.372 -8.160 -0.911
219 HA GLN 25 HA GLN 25 13.991 -10.488 -1.569
220 HB2 GLN 25 HB2 GLN 25 12.921 -8.184 -3.186
221 HB3 GLN 25 HB1 GLN 25 14.097 -9.310 -3.848
222 HG2 GLN 25 HG2 GLN 25 12.543 -11.162 -3.428
223 HG3 GLN 25 HG1 GLN 25 11.362 -10.015 -2.802
224 HE21 GLN 25 HE21 GLN 25 9.820 -10.475 -4.316
225 HE22 GLN 25 HE22 GLN 25 9.969 -10.050 -5.984
226 H GLN 26 HN GLN 26 14.376 -6.978 -1.247
227 HA GLN 26 HA GLN 26 17.287 -7.290 -1.520
228 HB2 GLN 26 HB2 GLN 26 15.476 -4.912 -1.895
229 HB3 GLN 26 HB1 GLN 26 17.215 -4.730 -1.711
230 HG2 GLN 26 HG2 GLN 26 17.560 -6.152 -3.678
231 HG3 GLN 26 HG1 GLN 26 15.814 -6.294 -3.870
232 HE21 GLN 26 HE21 GLN 26 18.571 -4.198 -4.133
233 HE22 GLN 26 HE22 GLN 26 17.797 -2.957 -5.054
234 HN1 NH2 27 H1 GLN 26 14.852 -5.631 0.448
235 HN2 NH2 27 H2 GLN 26 15.811 -5.528 1.881
236 HC1 3UQ 101 HC1 TRU 19 6.792 1.541 5.031
237 HC2 3UQ 101 HC2 TRU 19 8.419 3.646 5.557
238 HC3 3UQ 101 HC3 TRU 19 7.707 5.688 3.917
239 HC4 3UQ 101 HC4 TRU 19 5.083 2.279 3.063
240 HC5 3UQ 101 HC5 TRU 19 5.642 4.841 2.374
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -12.445 9.269 8.950
2 H2 GLY 1 HT2 GLY 1 -13.430 10.492 9.578
3 H3 GLY 1 HT3 GLY 1 -13.339 10.255 7.906
4 HA2 GLY 1 HA1 GLY 1 -14.484 8.349 9.873
5 HA3 GLY 1 HA2 GLY 1 -15.408 9.367 8.779
6 H ILE 2 HN ILE 2 -16.397 7.491 7.915
7 HA ILE 2 HA ILE 2 -15.006 5.321 6.774
8 HB ILE 2 HB ILE 2 -17.155 4.915 5.467
9 HG12 ILE 2 HG12 ILE 2 -19.078 6.237 6.843
10 HG13 ILE 2 HG11 ILE 2 -17.842 7.489 6.783
11 HG21 ILE 2 HG21 ILE 2 -18.353 4.153 7.463
12 HG22 ILE 2 HG22 ILE 2 -17.274 5.121 8.468
13 HG23 ILE 2 HG23 ILE 2 -16.633 3.772 7.529
14 HD11 ILE 2 HD11 ILE 2 -19.383 7.720 4.940
15 HD12 ILE 2 HD12 ILE 2 -19.052 6.066 4.425
16 HD13 ILE 2 HD13 ILE 2 -17.782 7.287 4.342
17 H GLY 3 HN GLY 3 -16.137 8.359 5.364
18 HA2 GLY 3 HA2 GLY 3 -15.489 7.733 2.660
19 HA3 GLY 3 HA1 GLY 3 -15.808 9.334 3.305
20 H ALA 4 HN ALA 4 -13.671 9.173 5.306
21 HA ALA 4 HA ALA 4 -11.508 10.142 3.710
22 HB1 ALA 4 HB1 ALA 4 -11.581 9.563 6.671
23 HB2 ALA 4 HB2 ALA 4 -12.031 11.089 5.910
24 HB3 ALA 4 HB3 ALA 4 -10.364 10.520 5.825
25 H VAL 5 HN VAL 5 -11.949 7.248 5.763
26 HA VAL 5 HA VAL 5 -9.387 6.143 5.259
27 HB VAL 5 HB VAL 5 -10.408 3.951 6.042
28 HG11 VAL 5 HG11 VAL 5 -10.538 4.688 8.371
29 HG12 VAL 5 HG12 VAL 5 -10.655 6.363 7.833
30 HG13 VAL 5 HG13 VAL 5 -9.186 5.438 7.523
31 HG21 VAL 5 HG21 VAL 5 -12.747 4.384 5.439
32 HG22 VAL 5 HG22 VAL 5 -12.804 5.701 6.611
33 HG23 VAL 5 HG23 VAL 5 -12.581 4.041 7.162
34 H LEU 6 HN LEU 6 -12.485 5.815 3.618
35 HA LEU 6 HA LEU 6 -11.689 3.702 1.866
36 HB2 LEU 6 HB2 LEU 6 -14.003 5.597 1.970
37 HB3 LEU 6 HB1 LEU 6 -13.733 4.645 0.524
38 HG LEU 6 HG LEU 6 -13.896 3.278 3.188
39 HD11 LEU 6 HD11 LEU 6 -16.316 3.016 2.854
40 HD12 LEU 6 HD12 LEU 6 -16.239 4.136 1.494
41 HD13 LEU 6 HD13 LEU 6 -15.860 4.698 3.122
42 HD21 LEU 6 HD21 LEU 6 -14.633 2.461 0.375
43 HD22 LEU 6 HD22 LEU 6 -14.772 1.446 1.810
44 HD23 LEU 6 HD23 LEU 6 -13.184 1.973 1.254
45 H LYS 7 HN LYS 7 -11.553 7.209 1.725
46 HA LYS 7 HA LYS 7 -10.934 7.400 -1.061
47 HB2 LYS 7 HB2 LYS 7 -10.916 9.294 1.248
48 HB3 LYS 7 HB1 LYS 7 -10.075 9.747 -0.228
49 HG2 LYS 7 HG2 LYS 7 -12.145 9.452 -1.497
50 HG3 LYS 7 HG1 LYS 7 -12.987 9.009 -0.010
51 HD2 LYS 7 HD2 LYS 7 -12.491 11.212 0.929
52 HD3 LYS 7 HD1 LYS 7 -11.636 11.654 -0.550
53 HE2 LYS 7 HE2 LYS 7 -13.700 11.401 -1.826
54 HE3 LYS 7 HE1 LYS 7 -14.558 10.927 -0.361
55 HZ1 LYS 7 HZ1 LYS 7 -13.286 13.564 -0.862
56 HZ2 LYS 7 HZ2 LYS 7 -14.061 13.114 0.572
57 HZ3 LYS 7 HZ3 LYS 7 -14.948 13.242 -0.863
58 H VAL 8 HN VAL 8 -9.010 7.101 1.879
59 HA VAL 8 HA VAL 8 -6.530 7.497 0.397
60 HB VAL 8 HB VAL 8 -5.395 7.073 2.619
61 HG11 VAL 8 HG11 VAL 8 -5.935 9.300 3.496
62 HG12 VAL 8 HG12 VAL 8 -7.337 9.369 2.429
63 HG13 VAL 8 HG13 VAL 8 -5.712 9.306 1.746
64 HG21 VAL 8 HG21 VAL 8 -7.242 5.861 3.729
65 HG22 VAL 8 HG22 VAL 8 -8.189 7.350 3.735
66 HG23 VAL 8 HG23 VAL 8 -6.691 7.253 4.662
67 H LEU 9 HN LEU 9 -8.568 4.916 1.054
68 HA LEU 9 HA LEU 9 -6.417 2.923 1.039
69 HB2 LEU 9 HB2 LEU 9 -8.480 2.904 2.628
70 HB3 LEU 9 HB1 LEU 9 -9.336 2.266 1.239
71 HG LEU 9 HG LEU 9 -7.397 0.492 1.218
72 HD11 LEU 9 HD11 LEU 9 -6.616 -0.055 3.483
73 HD12 LEU 9 HD12 LEU 9 -7.365 1.423 4.087
74 HD13 LEU 9 HD13 LEU 9 -6.029 1.516 2.939
75 HD21 LEU 9 HD21 LEU 9 -9.627 0.472 3.248
76 HD22 LEU 9 HD22 LEU 9 -8.742 -0.944 2.682
77 HD23 LEU 9 HD23 LEU 9 -9.745 -0.025 1.560
78 H THR 10 HN THR 10 -8.938 4.242 -0.985
79 HA THR 10 HA THR 10 -8.836 2.079 -2.915
80 HB THR 10 HB THR 10 -10.327 3.592 -4.286
81 HG1 THR 10 HG1 THR 10 -10.709 5.555 -3.594
82 HG21 THR 10 HG21 THR 10 -12.295 3.254 -2.857
83 HG22 THR 10 HG22 THR 10 -11.239 2.927 -1.483
84 HG23 THR 10 HG23 THR 10 -11.252 1.832 -2.866
85 H THR 11 HN THR 11 -6.872 4.711 -2.290
86 HA THR 11 HA THR 11 -6.114 5.085 -5.104
87 HB THR 11 HB THR 11 -4.706 6.996 -4.175
88 HG1 THR 11 HG1 THR 11 -5.894 7.689 -2.071
89 HG21 THR 11 HG21 THR 11 -6.624 8.523 -4.026
90 HG22 THR 11 HG22 THR 11 -7.707 7.141 -3.859
91 HG23 THR 11 HG23 THR 11 -6.808 7.381 -5.357
92 H GLY 12 HN GLY 12 -4.684 4.393 -1.914
93 HA2 GLY 12 HA2 GLY 12 -2.161 3.630 -3.209
94 HA3 GLY 12 HA1 GLY 12 -2.394 3.903 -1.490
95 H LEU 13 HN LEU 13 -2.135 1.606 -3.936
96 HA LEU 13 HA LEU 13 -2.790 -0.539 -2.050
97 HB2 LEU 13 HB2 LEU 13 -4.567 -0.020 -3.951
98 HB3 LEU 13 HB1 LEU 13 -3.466 -0.976 -4.923
99 HG LEU 13 HG LEU 13 -3.708 -2.705 -2.949
100 HD11 LEU 13 HD11 LEU 13 -5.966 -2.694 -1.998
101 HD12 LEU 13 HD12 LEU 13 -6.271 -1.129 -2.750
102 HD13 LEU 13 HD13 LEU 13 -5.038 -1.280 -1.498
103 HD21 LEU 13 HD21 LEU 13 -5.834 -2.245 -5.037
104 HD22 LEU 13 HD22 LEU 13 -5.561 -3.753 -4.165
105 HD23 LEU 13 HD23 LEU 13 -4.325 -3.131 -5.259
106 HA PRO 14 HA PRO 14 0.514 -2.215 -5.145
107 HB2 PRO 14 HB2 PRO 14 1.466 -0.075 -6.855
108 HB3 PRO 14 HB1 PRO 14 0.676 -1.590 -7.322
109 HG2 PRO 14 HG2 PRO 14 -0.481 0.833 -7.651
110 HG3 PRO 14 HG1 PRO 14 -1.402 -0.658 -7.372
111 HD2 PRO 14 HD2 PRO 14 -0.647 1.480 -5.412
112 HD3 PRO 14 HD1 PRO 14 -2.204 0.653 -5.629
113 H ALA 15 HN ALA 15 0.775 0.815 -3.575
114 HA ALA 15 HA ALA 15 3.616 1.109 -3.590
115 HB1 ALA 15 HB1 ALA 15 2.100 3.000 -3.225
116 HB2 ALA 15 HB2 ALA 15 3.263 2.827 -1.911
117 HB3 ALA 15 HB3 ALA 15 1.597 2.293 -1.689
118 H LEU 16 HN LEU 16 1.304 -0.296 -1.290
119 HA LEU 16 HA LEU 16 3.232 -0.905 0.726
120 HB2 LEU 16 HB2 LEU 16 0.439 -1.934 0.231
121 HB3 LEU 16 HB1 LEU 16 1.401 -2.394 1.620
122 HG LEU 16 HG LEU 16 1.528 0.226 1.982
123 HD11 LEU 16 HD11 LEU 16 -0.584 1.311 1.366
124 HD12 LEU 16 HD12 LEU 16 -1.046 -0.123 0.449
125 HD13 LEU 16 HD13 LEU 16 0.348 0.832 -0.054
126 HD21 LEU 16 HD21 LEU 16 -0.880 -1.459 2.654
127 HD22 LEU 16 HD22 LEU 16 -0.424 0.046 3.453
128 HD23 LEU 16 HD23 LEU 16 0.622 -1.369 3.575
129 H ILE 17 HN ILE 17 1.886 -2.651 -2.012
130 HA ILE 17 HA ILE 17 2.966 -5.217 -1.382
131 HB ILE 17 HB ILE 17 2.287 -4.319 -4.180
132 HG12 ILE 17 HG12 ILE 17 0.368 -3.590 -2.892
133 HG13 ILE 17 HG11 ILE 17 -0.074 -5.029 -3.793
134 HG21 ILE 17 HG21 ILE 17 1.560 -6.666 -4.461
135 HG22 ILE 17 HG22 ILE 17 2.103 -7.002 -2.817
136 HG23 ILE 17 HG23 ILE 17 3.267 -6.507 -4.046
137 HD11 ILE 17 HD11 ILE 17 0.117 -6.364 -1.748
138 HD12 ILE 17 HD12 ILE 17 -1.036 -5.043 -1.558
139 HD13 ILE 17 HD13 ILE 17 0.573 -4.918 -0.847
140 H SER 18 HN SER 18 4.059 -2.488 -3.358
141 HA SER 18 HA SER 18 6.376 -3.783 -4.421
142 HB2 SER 18 HB2 SER 18 5.660 -0.849 -4.227
143 HB3 SER 18 HB1 SER 18 7.031 -1.488 -5.133
144 HG SER 18 HG SER 18 4.955 -2.867 -5.920
145 H TRP 19 HN TRU 19 5.707 -1.889 -1.549
146 HA TRP 19 HA TRU 19 8.441 -1.428 -0.825
147 HB2 TRP 19 HB2 TRU 19 5.786 -0.899 0.362
148 HB3 TRP 19 HB1 TRU 19 7.105 -1.101 1.511
149 HD1 TRP 19 HD1 TRU 19 6.164 1.116 -1.525
150 HE1 TRP 19 HE1 TRU 19 7.355 3.387 -1.265
151 HE3 TRP 19 HE3 TRU 19 8.963 0.126 2.651
152 HZ2 TRP 19 HZ2 TRU 19 9.202 4.624 0.435
153 HZ3 TRP 19 HZ3 TRU 19 10.410 1.892 3.555
154 HH2 TRP 19 HH2 TRU 19 10.551 4.136 2.480
155 H ILE 20 HN ILE 20 6.004 -3.861 0.011
156 HA ILE 20 HA ILE 20 7.636 -5.142 1.999
157 HB ILE 20 HB ILE 20 5.972 -7.005 1.914
158 HG12 ILE 20 HG12 ILE 20 3.755 -5.994 0.674
159 HG13 ILE 20 HG11 ILE 20 5.026 -5.494 -0.437
160 HG21 ILE 20 HG21 ILE 20 5.724 -5.204 3.498
161 HG22 ILE 20 HG22 ILE 20 4.140 -5.721 2.920
162 HG23 ILE 20 HG23 ILE 20 4.862 -4.234 2.303
163 HD11 ILE 20 HD11 ILE 20 4.159 -7.601 -1.149
164 HD12 ILE 20 HD12 ILE 20 4.396 -8.294 0.455
165 HD13 ILE 20 HD13 ILE 20 5.791 -7.850 -0.527
166 H LYS 21 HN LYS 21 7.086 -5.576 -1.441
167 HA LYS 21 HA LYS 21 8.449 -8.091 -1.661
168 HB2 LYS 21 HB2 LYS 21 7.490 -6.056 -3.655
169 HB3 LYS 21 HB1 LYS 21 8.472 -7.424 -4.159
170 HG2 LYS 21 HG2 LYS 21 6.775 -8.937 -3.159
171 HG3 LYS 21 HG1 LYS 21 5.773 -7.522 -2.833
172 HD2 LYS 21 HD2 LYS 21 5.634 -7.025 -5.191
173 HD3 LYS 21 HD1 LYS 21 6.755 -8.335 -5.567
174 HE2 LYS 21 HE2 LYS 21 5.154 -9.966 -4.734
175 HE3 LYS 21 HE1 LYS 21 4.042 -8.673 -4.291
176 HZ1 LYS 21 HZ1 LYS 21 3.416 -9.674 -6.388
177 HZ2 LYS 21 HZ2 LYS 21 4.934 -9.327 -7.048
178 HZ3 LYS 21 HZ3 LYS 21 3.885 -8.067 -6.632
179 H ARG 22 HN ARG 22 9.365 -4.707 -1.984
180 HA ARG 22 HA ARG 22 12.005 -5.255 -2.996
181 HB2 ARG 22 HB2 ARG 22 10.590 -2.775 -2.064
182 HB3 ARG 22 HB1 ARG 22 12.320 -2.757 -2.381
183 HG2 ARG 22 HG2 ARG 22 11.870 -3.540 -4.681
184 HG3 ARG 22 HG1 ARG 22 10.140 -3.435 -4.346
185 HD2 ARG 22 HD2 ARG 22 10.365 -1.045 -3.907
186 HD3 ARG 22 HD1 ARG 22 12.099 -1.145 -4.209
187 HE ARG 22 HE ARG 22 10.532 -2.088 -6.413
188 HH11 ARG 22 HH12 ARG 22 11.835 0.821 -4.937
189 HH12 ARG 22 HH11 ARG 22 11.818 1.718 -6.419
190 HH21 ARG 22 HH21 ARG 22 10.519 -0.894 -8.340
191 HH22 ARG 22 HH22 ARG 22 11.073 0.747 -8.343
192 H LYS 23 HN LYS 23 10.547 -4.822 0.147
193 HA LYS 23 HA LYS 23 13.088 -4.543 1.519
194 HB2 LYS 23 HB2 LYS 23 10.219 -4.556 2.371
195 HB3 LYS 23 HB1 LYS 23 11.480 -4.819 3.569
196 HG2 LYS 23 HG2 LYS 23 12.516 -2.684 2.901
197 HG3 LYS 23 HG1 LYS 23 11.178 -2.415 1.782
198 HD2 LYS 23 HD2 LYS 23 9.607 -2.280 3.561
199 HD3 LYS 23 HD1 LYS 23 10.787 -2.868 4.734
200 HE2 LYS 23 HE2 LYS 23 11.174 -0.310 3.202
201 HE3 LYS 23 HE1 LYS 23 10.298 -0.367 4.730
202 HZ1 LYS 23 HZ1 LYS 23 12.273 -1.258 5.794
203 HZ2 LYS 23 HZ2 LYS 23 12.624 0.219 5.049
204 HZ3 LYS 23 HZ3 LYS 23 13.113 -1.229 4.325
205 H ARG 24 HN ARG 24 11.022 -7.097 0.521
206 HA ARG 24 HA ARG 24 12.110 -9.010 2.443
207 HB2 ARG 24 HB2 ARG 24 9.635 -8.842 1.496
208 HB3 ARG 24 HB1 ARG 24 10.306 -9.834 0.211
209 HG2 ARG 24 HG2 ARG 24 11.015 -11.491 1.887
210 HG3 ARG 24 HG1 ARG 24 10.276 -10.503 3.149
211 HD2 ARG 24 HD2 ARG 24 8.098 -10.747 2.067
212 HD3 ARG 24 HD1 ARG 24 8.835 -11.720 0.795
213 HE ARG 24 HE ARG 24 9.363 -12.835 3.348
214 HH11 ARG 24 HH11 ARG 24 6.787 -12.541 0.978
215 HH12 ARG 24 HH12 ARG 24 5.995 -13.994 1.490
216 HH21 ARG 24 HH22 ARG 24 8.309 -14.732 4.002
217 HH22 ARG 24 HH21 ARG 24 6.857 -15.233 3.201
218 H GLN 25 HN GLN 25 12.342 -8.127 -0.942
219 HA GLN 25 HA GLN 25 13.993 -10.432 -1.603
220 HB2 GLN 25 HB2 GLN 25 12.934 -8.123 -3.226
221 HB3 GLN 25 HB1 GLN 25 14.087 -9.277 -3.879
222 HG2 GLN 25 HG2 GLN 25 12.500 -11.094 -3.460
223 HG3 GLN 25 HG1 GLN 25 11.343 -9.930 -2.821
224 HE21 GLN 25 HE21 GLN 25 9.777 -10.327 -4.321
225 HE22 GLN 25 HE22 GLN 25 9.925 -9.909 -5.991
226 H GLN 26 HN GLN 26 14.331 -6.922 -1.250
227 HA GLN 26 HA GLN 26 17.251 -7.211 -1.481
228 HB2 GLN 26 HB2 GLN 26 15.442 -4.849 -1.971
229 HB3 GLN 26 HB1 GLN 26 17.181 -4.672 -1.786
230 HG2 GLN 26 HG2 GLN 26 17.531 -6.162 -3.697
231 HG3 GLN 26 HG1 GLN 26 15.785 -6.314 -3.888
232 HE21 GLN 26 HE21 GLN 26 18.540 -4.230 -4.232
233 HE22 GLN 26 HE22 GLN 26 17.767 -3.027 -5.201
234 HN1 NH2 27 H1 GLN 26 14.764 -5.473 0.353
235 HN2 NH2 27 H2 GLN 26 15.682 -5.320 1.808
236 HC1 3UQ 101 HC1 TRU 19 6.683 1.567 4.979
237 HC2 3UQ 101 HC2 TRU 19 8.299 3.680 5.509
238 HC3 3UQ 101 HC3 TRU 19 7.601 5.709 3.848
239 HC4 3UQ 101 HC4 TRU 19 4.994 2.290 2.987
240 HC5 3UQ 101 HC5 TRU 19 5.555 4.848 2.288
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 -12.493 9.071 9.191
2 H2 GLY 1 HT2 GLY 1 -13.427 10.379 9.720
3 H3 GLY 1 HT3 GLY 1 -13.142 10.158 8.067
4 HA2 GLY 1 HA1 GLY 1 -14.705 8.336 9.814
5 HA3 GLY 1 HA2 GLY 1 -15.387 9.474 8.663
6 H ILE 2 HN ILE 2 -16.422 7.452 7.894
7 HA ILE 2 HA ILE 2 -15.017 5.344 6.687
8 HB ILE 2 HB ILE 2 -17.168 5.002 5.326
9 HG12 ILE 2 HG12 ILE 2 -19.107 6.172 6.770
10 HG13 ILE 2 HG11 ILE 2 -17.889 7.436 6.895
11 HG21 ILE 2 HG21 ILE 2 -18.325 4.084 7.282
12 HG22 ILE 2 HG22 ILE 2 -17.234 4.985 8.335
13 HG23 ILE 2 HG23 ILE 2 -16.599 3.717 7.286
14 HD11 ILE 2 HD11 ILE 2 -19.453 7.806 5.047
15 HD12 ILE 2 HD12 ILE 2 -18.933 6.286 4.317
16 HD13 ILE 2 HD13 ILE 2 -17.791 7.619 4.487
17 H GLY 3 HN GLY 3 -16.086 8.431 5.357
18 HA2 GLY 3 HA2 GLY 3 -15.482 7.860 2.630
19 HA3 GLY 3 HA1 GLY 3 -15.739 9.452 3.322
20 H ALA 4 HN ALA 4 -13.614 9.255 5.278
21 HA ALA 4 HA ALA 4 -11.424 10.143 3.679
22 HB1 ALA 4 HB1 ALA 4 -11.514 9.582 6.643
23 HB2 ALA 4 HB2 ALA 4 -11.924 11.115 5.873
24 HB3 ALA 4 HB3 ALA 4 -10.272 10.501 5.793
25 H VAL 5 HN VAL 5 -11.955 7.263 5.728
26 HA VAL 5 HA VAL 5 -9.418 6.090 5.260
27 HB VAL 5 HB VAL 5 -10.536 3.917 5.998
28 HG11 VAL 5 HG11 VAL 5 -10.602 4.618 8.332
29 HG12 VAL 5 HG12 VAL 5 -10.672 6.307 7.829
30 HG13 VAL 5 HG13 VAL 5 -9.236 5.343 7.484
31 HG21 VAL 5 HG21 VAL 5 -12.853 4.476 5.411
32 HG22 VAL 5 HG22 VAL 5 -12.837 5.777 6.601
33 HG23 VAL 5 HG23 VAL 5 -12.697 4.100 7.128
34 H LEU 6 HN LEU 6 -12.505 5.826 3.577
35 HA LEU 6 HA LEU 6 -11.724 3.703 1.832
36 HB2 LEU 6 HB2 LEU 6 -14.009 5.628 1.929
37 HB3 LEU 6 HB1 LEU 6 -13.730 4.715 0.460
38 HG LEU 6 HG LEU 6 -13.947 3.268 3.077
39 HD11 LEU 6 HD11 LEU 6 -16.368 3.060 2.712
40 HD12 LEU 6 HD12 LEU 6 -16.257 4.224 1.391
41 HD13 LEU 6 HD13 LEU 6 -15.884 4.724 3.041
42 HD21 LEU 6 HD21 LEU 6 -14.672 2.558 0.232
43 HD22 LEU 6 HD22 LEU 6 -14.845 1.499 1.632
44 HD23 LEU 6 HD23 LEU 6 -13.241 2.013 1.108
45 H LYS 7 HN LYS 7 -11.513 7.207 1.701
46 HA LYS 7 HA LYS 7 -10.851 7.383 -1.077
47 HB2 LYS 7 HB2 LYS 7 -10.823 9.286 1.227
48 HB3 LYS 7 HB1 LYS 7 -9.983 9.721 -0.255
49 HG2 LYS 7 HG2 LYS 7 -12.062 9.427 -1.514
50 HG3 LYS 7 HG1 LYS 7 -12.900 9.010 -0.018
51 HD2 LYS 7 HD2 LYS 7 -12.356 11.224 0.893
52 HD3 LYS 7 HD1 LYS 7 -11.541 11.640 -0.615
53 HE2 LYS 7 HE2 LYS 7 -13.678 12.608 -0.781
54 HE3 LYS 7 HE1 LYS 7 -13.754 11.149 -1.767
55 HZ1 LYS 7 HZ1 LYS 7 -15.719 11.397 -0.380
56 HZ2 LYS 7 HZ2 LYS 7 -14.765 11.403 1.016
57 HZ3 LYS 7 HZ3 LYS 7 -14.852 10.011 0.058
58 H VAL 8 HN VAL 8 -8.973 7.057 1.891
59 HA VAL 8 HA VAL 8 -6.467 7.422 0.449
60 HB VAL 8 HB VAL 8 -5.370 6.957 2.681
61 HG11 VAL 8 HG11 VAL 8 -5.901 9.179 3.583
62 HG12 VAL 8 HG12 VAL 8 -7.280 9.279 2.489
63 HG13 VAL 8 HG13 VAL 8 -5.642 9.205 1.839
64 HG21 VAL 8 HG21 VAL 8 -7.278 5.756 3.728
65 HG22 VAL 8 HG22 VAL 8 -8.163 7.280 3.781
66 HG23 VAL 8 HG23 VAL 8 -6.674 7.093 4.707
67 H LEU 9 HN LEU 9 -8.552 4.862 1.092
68 HA LEU 9 HA LEU 9 -6.435 2.838 1.076
69 HB2 LEU 9 HB2 LEU 9 -8.522 2.839 2.630
70 HB3 LEU 9 HB1 LEU 9 -9.368 2.233 1.222
71 HG LEU 9 HG LEU 9 -7.441 0.432 1.220
72 HD11 LEU 9 HD11 LEU 9 -6.761 -0.165 3.507
73 HD12 LEU 9 HD12 LEU 9 -7.513 1.315 4.103
74 HD13 LEU 9 HD13 LEU 9 -6.130 1.406 3.012
75 HD21 LEU 9 HD21 LEU 9 -9.749 0.406 3.159
76 HD22 LEU 9 HD22 LEU 9 -8.861 -1.013 2.601
77 HD23 LEU 9 HD23 LEU 9 -9.807 -0.058 1.458
78 H THR 10 HN THR 10 -8.922 4.195 -0.972
79 HA THR 10 HA THR 10 -8.806 2.048 -2.917
80 HB THR 10 HB THR 10 -10.273 3.570 -4.295
81 HG1 THR 10 HG1 THR 10 -10.845 5.494 -3.511
82 HG21 THR 10 HG21 THR 10 -12.257 3.246 -2.890
83 HG22 THR 10 HG22 THR 10 -11.220 2.918 -1.501
84 HG23 THR 10 HG23 THR 10 -11.222 1.818 -2.879
85 H THR 11 HN THR 11 -6.912 4.770 -2.280
86 HA THR 11 HA THR 11 -6.101 5.120 -5.077
87 HB THR 11 HB THR 11 -4.692 7.020 -4.120
88 HG1 THR 11 HG1 THR 11 -6.001 7.657 -2.017
89 HG21 THR 11 HG21 THR 11 -6.621 8.548 -3.967
90 HG22 THR 11 HG22 THR 11 -7.699 7.156 -3.862
91 HG23 THR 11 HG23 THR 11 -6.762 7.437 -5.329
92 H GLY 12 HN GLY 12 -4.697 4.393 -1.885
93 HA2 GLY 12 HA2 GLY 12 -2.168 3.635 -3.172
94 HA3 GLY 12 HA1 GLY 12 -2.405 3.908 -1.453
95 H LEU 13 HN LEU 13 -2.168 1.613 -3.909
96 HA LEU 13 HA LEU 13 -2.822 -0.532 -2.021
97 HB2 LEU 13 HB2 LEU 13 -4.602 -0.007 -3.914
98 HB3 LEU 13 HB1 LEU 13 -3.505 -0.959 -4.894
99 HG LEU 13 HG LEU 13 -3.743 -2.687 -2.907
100 HD11 LEU 13 HD11 LEU 13 -6.013 -2.688 -1.989
101 HD12 LEU 13 HD12 LEU 13 -6.323 -1.132 -2.759
102 HD13 LEU 13 HD13 LEU 13 -5.108 -1.260 -1.487
103 HD21 LEU 13 HD21 LEU 13 -5.840 -2.254 -5.031
104 HD22 LEU 13 HD22 LEU 13 -5.568 -3.756 -4.147
105 HD23 LEU 13 HD23 LEU 13 -4.321 -3.129 -5.225
106 HA PRO 14 HA PRO 14 0.469 -2.215 -5.126
107 HB2 PRO 14 HB2 PRO 14 1.425 -0.069 -6.829
108 HB3 PRO 14 HB1 PRO 14 0.636 -1.583 -7.301
109 HG2 PRO 14 HG2 PRO 14 -0.524 0.836 -7.627
110 HG3 PRO 14 HG1 PRO 14 -1.445 -0.654 -7.340
111 HD2 PRO 14 HD2 PRO 14 -0.675 1.484 -5.385
112 HD3 PRO 14 HD1 PRO 14 -2.237 0.666 -5.597
113 H ALA 15 HN ALA 15 0.753 0.825 -3.568
114 HA ALA 15 HA ALA 15 3.592 1.102 -3.582
115 HB1 ALA 15 HB1 ALA 15 2.085 2.997 -3.210
116 HB2 ALA 15 HB2 ALA 15 3.252 2.818 -1.900
117 HB3 ALA 15 HB3 ALA 15 1.584 2.291 -1.673
118 H LEU 16 HN LEU 16 1.286 -0.328 -1.298
119 HA LEU 16 HA LEU 16 3.216 -0.927 0.721
120 HB2 LEU 16 HB2 LEU 16 0.422 -1.948 0.222
121 HB3 LEU 16 HB1 LEU 16 1.386 -2.433 1.603
122 HG LEU 16 HG LEU 16 1.531 0.185 1.991
123 HD11 LEU 16 HD11 LEU 16 -0.578 1.284 1.401
124 HD12 LEU 16 HD12 LEU 16 -1.060 -0.141 0.481
125 HD13 LEU 16 HD13 LEU 16 0.335 0.810 -0.031
126 HD21 LEU 16 HD21 LEU 16 -0.868 -1.512 2.666
127 HD22 LEU 16 HD22 LEU 16 -0.421 -0.006 3.468
128 HD23 LEU 16 HD23 LEU 16 0.637 -1.413 3.580
129 H ILE 17 HN ILE 17 1.860 -2.689 -2.007
130 HA ILE 17 HA ILE 17 2.964 -5.244 -1.379
131 HB ILE 17 HB ILE 17 2.280 -4.360 -4.180
132 HG12 ILE 17 HG12 ILE 17 0.356 -3.635 -2.899
133 HG13 ILE 17 HG11 ILE 17 -0.078 -5.084 -3.789
134 HG21 ILE 17 HG21 ILE 17 1.563 -6.715 -4.444
135 HG22 ILE 17 HG22 ILE 17 2.115 -7.036 -2.800
136 HG23 ILE 17 HG23 ILE 17 3.271 -6.542 -4.037
137 HD11 ILE 17 HD11 ILE 17 0.132 -6.402 -1.730
138 HD12 ILE 17 HD12 ILE 17 -1.041 -5.096 -1.558
139 HD13 ILE 17 HD13 ILE 17 0.564 -4.939 -0.843
140 H SER 18 HN SER 18 4.038 -2.504 -3.344
141 HA SER 18 HA SER 18 6.362 -3.776 -4.417
142 HB2 SER 18 HB2 SER 18 5.626 -0.848 -4.204
143 HB3 SER 18 HB1 SER 18 6.997 -1.474 -5.119
144 HG SER 18 HG SER 18 4.889 -2.852 -5.879
145 H TRP 19 HN TRU 19 5.686 -1.884 -1.539
146 HA TRP 19 HA TRU 19 8.418 -1.417 -0.818
147 HB2 TRP 19 HB2 TRU 19 5.765 -0.885 0.367
148 HB3 TRP 19 HB1 TRU 19 7.078 -1.098 1.521
149 HD1 TRP 19 HD1 TRU 19 6.167 1.134 -1.517
150 HE1 TRP 19 HE1 TRU 19 7.373 3.395 -1.243
151 HE3 TRP 19 HE3 TRU 19 8.928 0.115 2.676
152 HZ2 TRP 19 HZ2 TRU 19 9.218 4.616 0.474
153 HZ3 TRP 19 HZ3 TRU 19 10.381 1.867 3.596
154 HH2 TRP 19 HH2 TRU 19 10.548 4.112 2.529
155 H ILE 20 HN ILE 20 5.997 -3.864 0.013
156 HA ILE 20 HA ILE 20 7.635 -5.138 2.002
157 HB ILE 20 HB ILE 20 5.981 -7.012 1.909
158 HG12 ILE 20 HG12 ILE 20 3.757 -5.997 0.680
159 HG13 ILE 20 HG11 ILE 20 5.027 -5.495 -0.433
160 HG21 ILE 20 HG21 ILE 20 5.728 -5.222 3.505
161 HG22 ILE 20 HG22 ILE 20 4.146 -5.745 2.928
162 HG23 ILE 20 HG23 ILE 20 4.856 -4.250 2.319
163 HD11 ILE 20 HD11 ILE 20 4.161 -7.600 -1.150
164 HD12 ILE 20 HD12 ILE 20 4.391 -8.296 0.454
165 HD13 ILE 20 HD13 ILE 20 5.791 -7.854 -0.524
166 H LYS 21 HN LYS 21 7.081 -5.571 -1.439
167 HA LYS 21 HA LYS 21 8.456 -8.077 -1.665
168 HB2 LYS 21 HB2 LYS 21 7.477 -6.045 -3.653
169 HB3 LYS 21 HB1 LYS 21 8.475 -7.400 -4.163
170 HG2 LYS 21 HG2 LYS 21 6.802 -8.940 -3.178
171 HG3 LYS 21 HG1 LYS 21 5.784 -7.543 -2.826
172 HD2 LYS 21 HD2 LYS 21 5.608 -7.018 -5.171
173 HD3 LYS 21 HD1 LYS 21 6.758 -8.293 -5.580
174 HE2 LYS 21 HE2 LYS 21 5.202 -9.977 -4.757
175 HE3 LYS 21 HE1 LYS 21 4.062 -8.716 -4.293
176 HZ1 LYS 21 HZ1 LYS 21 3.448 -9.702 -6.400
177 HZ2 LYS 21 HZ2 LYS 21 4.957 -9.319 -7.061
178 HZ3 LYS 21 HZ3 LYS 21 3.886 -8.083 -6.628
179 H ARG 22 HN ARG 22 9.359 -4.689 -1.972
180 HA ARG 22 HA ARG 22 11.998 -5.222 -2.993
181 HB2 ARG 22 HB2 ARG 22 10.575 -2.753 -2.046
182 HB3 ARG 22 HB1 ARG 22 12.304 -2.726 -2.362
183 HG2 ARG 22 HG2 ARG 22 11.858 -3.502 -4.665
184 HG3 ARG 22 HG1 ARG 22 10.128 -3.402 -4.331
185 HD2 ARG 22 HD2 ARG 22 10.344 -1.014 -3.886
186 HD3 ARG 22 HD1 ARG 22 12.080 -1.107 -4.180
187 HE ARG 22 HE ARG 22 10.528 -2.048 -6.395
188 HH11 ARG 22 HH12 ARG 22 11.809 0.862 -4.901
189 HH12 ARG 22 HH11 ARG 22 11.795 1.764 -6.380
190 HH21 ARG 22 HH21 ARG 22 10.521 -0.849 -8.317
191 HH22 ARG 22 HH22 ARG 22 11.066 0.795 -8.311
192 H LYS 23 HN LYS 23 10.542 -4.808 0.154
193 HA LYS 23 HA LYS 23 13.084 -4.533 1.524
194 HB2 LYS 23 HB2 LYS 23 10.217 -4.553 2.382
195 HB3 LYS 23 HB1 LYS 23 11.484 -4.815 3.574
196 HG2 LYS 23 HG2 LYS 23 12.509 -2.677 2.924
197 HG3 LYS 23 HG1 LYS 23 11.184 -2.410 1.790
198 HD2 LYS 23 HD2 LYS 23 9.590 -2.290 3.553
199 HD3 LYS 23 HD1 LYS 23 10.765 -2.863 4.738
200 HE2 LYS 23 HE2 LYS 23 11.155 -0.310 3.201
201 HE3 LYS 23 HE1 LYS 23 10.247 -0.363 4.711
202 HZ1 LYS 23 HZ1 LYS 23 12.205 -1.232 5.822
203 HZ2 LYS 23 HZ2 LYS 23 12.561 0.242 5.074
204 HZ3 LYS 23 HZ3 LYS 23 13.076 -1.207 4.371
205 H ARG 24 HN ARG 24 11.031 -7.085 0.509
206 HA ARG 24 HA ARG 24 12.118 -9.003 2.428
207 HB2 ARG 24 HB2 ARG 24 9.642 -8.835 1.473
208 HB3 ARG 24 HB1 ARG 24 10.320 -9.831 0.194
209 HG2 ARG 24 HG2 ARG 24 11.028 -11.478 1.882
210 HG3 ARG 24 HG1 ARG 24 10.277 -10.488 3.135
211 HD2 ARG 24 HD2 ARG 24 8.107 -10.753 2.058
212 HD3 ARG 24 HD1 ARG 24 8.849 -11.707 0.774
213 HE ARG 24 HE ARG 24 9.400 -12.855 3.301
214 HH11 ARG 24 HH11 ARG 24 6.779 -12.520 0.986
215 HH12 ARG 24 HH12 ARG 24 5.991 -13.976 1.495
216 HH21 ARG 24 HH22 ARG 24 8.350 -14.756 3.951
217 HH22 ARG 24 HH21 ARG 24 6.881 -15.240 3.172
218 H GLN 25 HN GLN 25 12.341 -8.111 -0.957
219 HA GLN 25 HA GLN 25 13.997 -10.407 -1.626
220 HB2 GLN 25 HB2 GLN 25 12.915 -8.100 -3.234
221 HB3 GLN 25 HB1 GLN 25 14.090 -9.226 -3.897
222 HG2 GLN 25 HG2 GLN 25 12.541 -11.077 -3.504
223 HG3 GLN 25 HG1 GLN 25 11.364 -9.948 -2.840
224 HE21 GLN 25 HE21 GLN 25 9.798 -10.368 -4.337
225 HE22 GLN 25 HE22 GLN 25 9.924 -9.917 -6.000
226 H GLN 26 HN GLN 26 14.332 -6.893 -1.284
227 HA GLN 26 HA GLN 26 17.253 -7.182 -1.505
228 HB2 GLN 26 HB2 GLN 26 15.437 -4.831 -2.012
229 HB3 GLN 26 HB1 GLN 26 17.171 -4.635 -1.796
230 HG2 GLN 26 HG2 GLN 26 17.573 -6.111 -3.704
231 HG3 GLN 26 HG1 GLN 26 15.833 -6.296 -3.922
232 HE21 GLN 26 HE21 GLN 26 18.550 -4.150 -4.209
233 HE22 GLN 26 HE22 GLN 26 17.771 -2.965 -5.196
234 HN1 NH2 27 H1 GLN 26 14.760 -5.448 0.325
235 HN2 NH2 27 H2 GLN 26 15.674 -5.296 1.783
236 HC1 3UQ 101 HC1 TRU 19 6.640 1.567 4.989
237 HC2 3UQ 101 HC2 TRU 19 8.269 3.664 5.539
238 HC3 3UQ 101 HC3 TRU 19 7.600 5.704 3.879
239 HC4 3UQ 101 HC4 TRU 19 4.973 2.308 2.987
240 HC5 3UQ 101 HC5 TRU 19 5.560 4.865 2.300
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -13.273 10.075 9.957
2 H2 GLY 1 HT2 GLY 1 -13.145 9.979 8.274
3 H3 GLY 1 HT3 GLY 1 -12.273 8.908 9.250
4 HA2 GLY 1 HA1 GLY 1 -14.326 7.912 10.048
5 HA3 GLY 1 HA2 GLY 1 -15.232 9.023 9.032
6 H ILE 2 HN ILE 2 -16.197 7.181 8.037
7 HA ILE 2 HA ILE 2 -14.783 5.140 6.714
8 HB ILE 2 HB ILE 2 -16.918 4.811 5.377
9 HG12 ILE 2 HG12 ILE 2 -18.870 6.018 6.805
10 HG13 ILE 2 HG11 ILE 2 -17.643 7.278 6.872
11 HG21 ILE 2 HG21 ILE 2 -18.134 3.913 7.309
12 HG22 ILE 2 HG22 ILE 2 -17.064 4.813 8.384
13 HG23 ILE 2 HG23 ILE 2 -16.412 3.534 7.361
14 HD11 ILE 2 HD11 ILE 2 -19.146 7.651 5.021
15 HD12 ILE 2 HD12 ILE 2 -18.795 6.045 4.382
16 HD13 ILE 2 HD13 ILE 2 -17.531 7.274 4.424
17 H GLY 3 HN GLY 3 -15.849 8.306 5.597
18 HA2 GLY 3 HA2 GLY 3 -15.250 7.916 2.834
19 HA3 GLY 3 HA1 GLY 3 -15.517 9.458 3.630
20 H ALA 4 HN ALA 4 -13.364 9.031 5.584
21 HA ALA 4 HA ALA 4 -11.184 10.068 4.035
22 HB1 ALA 4 HB1 ALA 4 -11.691 10.925 6.269
23 HB2 ALA 4 HB2 ALA 4 -10.041 10.309 6.173
24 HB3 ALA 4 HB3 ALA 4 -11.294 9.353 6.963
25 H VAL 5 HN VAL 5 -11.738 7.067 5.886
26 HA VAL 5 HA VAL 5 -9.174 5.949 5.350
27 HB VAL 5 HB VAL 5 -10.236 3.747 6.056
28 HG11 VAL 5 HG11 VAL 5 -10.314 4.394 8.415
29 HG12 VAL 5 HG12 VAL 5 -10.384 6.091 7.943
30 HG13 VAL 5 HG13 VAL 5 -8.950 5.133 7.575
31 HG21 VAL 5 HG21 VAL 5 -12.575 4.297 5.502
32 HG22 VAL 5 HG22 VAL 5 -12.570 5.524 6.770
33 HG23 VAL 5 HG23 VAL 5 -12.386 3.821 7.191
34 H LEU 6 HN LEU 6 -12.269 5.788 3.698
35 HA LEU 6 HA LEU 6 -11.520 3.689 1.891
36 HB2 LEU 6 HB2 LEU 6 -13.885 4.381 2.623
37 HB3 LEU 6 HB1 LEU 6 -13.740 5.673 1.449
38 HG LEU 6 HG LEU 6 -13.131 3.018 0.355
39 HD11 LEU 6 HD11 LEU 6 -15.479 2.310 0.267
40 HD12 LEU 6 HD12 LEU 6 -15.909 3.634 1.351
41 HD13 LEU 6 HD13 LEU 6 -14.854 2.338 1.916
42 HD21 LEU 6 HD21 LEU 6 -13.360 5.034 -1.009
43 HD22 LEU 6 HD22 LEU 6 -15.025 5.220 -0.460
44 HD23 LEU 6 HD23 LEU 6 -14.571 3.827 -1.441
45 H LYS 7 HN LYS 7 -11.648 7.236 1.720
46 HA LYS 7 HA LYS 7 -10.898 7.392 -1.038
47 HB2 LYS 7 HB2 LYS 7 -11.892 9.164 0.867
48 HB3 LYS 7 HB1 LYS 7 -10.285 9.776 0.496
49 HG2 LYS 7 HG2 LYS 7 -10.832 9.875 -1.860
50 HG3 LYS 7 HG1 LYS 7 -12.420 9.174 -1.541
51 HD2 LYS 7 HD2 LYS 7 -12.944 11.127 -0.108
52 HD3 LYS 7 HD1 LYS 7 -11.390 11.834 -0.553
53 HE2 LYS 7 HE2 LYS 7 -13.006 12.840 -1.957
54 HE3 LYS 7 HE1 LYS 7 -12.138 11.677 -2.956
55 HZ1 LYS 7 HZ1 LYS 7 -14.491 11.527 -3.369
56 HZ2 LYS 7 HZ2 LYS 7 -14.815 11.287 -1.727
57 HZ3 LYS 7 HZ3 LYS 7 -13.975 10.108 -2.603
58 H VAL 8 HN VAL 8 -9.118 6.915 1.861
59 HA VAL 8 HA VAL 8 -6.626 7.837 0.636
60 HB VAL 8 HB VAL 8 -7.256 8.477 3.015
61 HG11 VAL 8 HG11 VAL 8 -7.824 5.952 3.521
62 HG12 VAL 8 HG12 VAL 8 -7.210 7.028 4.777
63 HG13 VAL 8 HG13 VAL 8 -6.119 5.901 3.970
64 HG21 VAL 8 HG21 VAL 8 -5.030 8.839 2.165
65 HG22 VAL 8 HG22 VAL 8 -4.583 7.172 2.529
66 HG23 VAL 8 HG23 VAL 8 -4.941 8.296 3.841
67 H LEU 9 HN LEU 9 -8.341 4.910 1.349
68 HA LEU 9 HA LEU 9 -5.980 3.233 1.083
69 HB2 LEU 9 HB2 LEU 9 -8.684 2.895 2.102
70 HB3 LEU 9 HB1 LEU 9 -8.190 1.556 1.085
71 HG LEU 9 HG LEU 9 -6.036 1.587 2.603
72 HD11 LEU 9 HD11 LEU 9 -6.482 2.244 4.890
73 HD12 LEU 9 HD12 LEU 9 -8.092 2.807 4.441
74 HD13 LEU 9 HD13 LEU 9 -6.663 3.632 3.817
75 HD21 LEU 9 HD21 LEU 9 -8.714 0.500 3.453
76 HD22 LEU 9 HD22 LEU 9 -7.166 0.010 4.141
77 HD23 LEU 9 HD23 LEU 9 -7.512 -0.300 2.440
78 H THR 10 HN THR 10 -8.905 3.999 -0.785
79 HA THR 10 HA THR 10 -8.124 2.162 -2.904
80 HB THR 10 HB THR 10 -10.181 2.961 -4.074
81 HG1 THR 10 HG1 THR 10 -11.618 4.151 -2.439
82 HG21 THR 10 HG21 THR 10 -11.777 1.894 -2.552
83 HG22 THR 10 HG22 THR 10 -10.609 2.017 -1.236
84 HG23 THR 10 HG23 THR 10 -10.264 0.990 -2.628
85 H THR 11 HN THR 11 -6.103 3.799 -2.709
86 HA THR 11 HA THR 11 -6.240 5.420 -5.143
87 HB THR 11 HB THR 11 -4.768 7.162 -3.995
88 HG1 THR 11 HG1 THR 11 -5.838 6.833 -1.557
89 HG21 THR 11 HG21 THR 11 -6.682 8.390 -3.090
90 HG22 THR 11 HG22 THR 11 -7.635 6.906 -3.074
91 HG23 THR 11 HG23 THR 11 -7.102 7.596 -4.607
92 H GLY 12 HN GLY 12 -4.166 4.066 -2.594
93 HA2 GLY 12 HA2 GLY 12 -2.147 3.462 -4.665
94 HA3 GLY 12 HA1 GLY 12 -1.685 4.075 -3.084
95 H LEU 13 HN LEU 13 -2.971 1.347 -4.852
96 HA LEU 13 HA LEU 13 -2.892 -0.368 -2.500
97 HB2 LEU 13 HB2 LEU 13 -4.653 -0.329 -4.498
98 HB3 LEU 13 HB1 LEU 13 -3.512 -1.462 -5.194
99 HG LEU 13 HG LEU 13 -3.769 -2.641 -2.833
100 HD11 LEU 13 HD11 LEU 13 -6.066 -2.490 -2.013
101 HD12 LEU 13 HD12 LEU 13 -6.399 -1.207 -3.176
102 HD13 LEU 13 HD13 LEU 13 -5.232 -0.941 -1.881
103 HD21 LEU 13 HD21 LEU 13 -5.770 -2.834 -5.080
104 HD22 LEU 13 HD22 LEU 13 -5.524 -4.048 -3.825
105 HD23 LEU 13 HD23 LEU 13 -4.231 -3.687 -4.968
106 HA PRO 14 HA PRO 14 0.477 -2.522 -5.271
107 HB2 PRO 14 HB2 PRO 14 1.470 -0.468 -7.115
108 HB3 PRO 14 HB1 PRO 14 0.899 -2.107 -7.472
109 HG2 PRO 14 HG2 PRO 14 -0.483 0.057 -8.216
110 HG3 PRO 14 HG1 PRO 14 -1.282 -1.449 -7.720
111 HD2 PRO 14 HD2 PRO 14 -0.829 1.049 -6.126
112 HD3 PRO 14 HD1 PRO 14 -2.298 0.061 -6.272
113 H ALA 15 HN ALA 15 0.569 0.489 -3.784
114 HA ALA 15 HA ALA 15 3.395 0.941 -3.699
115 HB1 ALA 15 HB1 ALA 15 1.780 2.760 -3.424
116 HB2 ALA 15 HB2 ALA 15 2.877 2.650 -2.047
117 HB3 ALA 15 HB3 ALA 15 1.228 2.039 -1.912
118 H LEU 16 HN LEU 16 1.051 -0.612 -1.548
119 HA LEU 16 HA LEU 16 2.944 -1.126 0.553
120 HB2 LEU 16 HB2 LEU 16 0.164 -2.177 0.039
121 HB3 LEU 16 HB1 LEU 16 1.110 -2.596 1.453
122 HG LEU 16 HG LEU 16 1.119 0.209 1.361
123 HD11 LEU 16 HD11 LEU 16 -1.255 0.768 1.327
124 HD12 LEU 16 HD12 LEU 16 -1.645 -0.892 0.876
125 HD13 LEU 16 HD13 LEU 16 -0.726 0.130 -0.230
126 HD21 LEU 16 HD21 LEU 16 -0.512 -1.700 3.032
127 HD22 LEU 16 HD22 LEU 16 -0.203 -0.006 3.414
128 HD23 LEU 16 HD23 LEU 16 1.132 -1.158 3.370
129 H ILE 17 HN ILE 17 1.681 -2.897 -2.208
130 HA ILE 17 HA ILE 17 2.756 -5.456 -1.526
131 HB ILE 17 HB ILE 17 2.221 -4.605 -4.367
132 HG12 ILE 17 HG12 ILE 17 0.245 -3.806 -3.226
133 HG13 ILE 17 HG11 ILE 17 -0.172 -5.273 -4.093
134 HG21 ILE 17 HG21 ILE 17 1.477 -6.941 -4.632
135 HG22 ILE 17 HG22 ILE 17 1.891 -7.243 -2.945
136 HG23 ILE 17 HG23 ILE 17 3.152 -6.807 -4.098
137 HD11 ILE 17 HD11 ILE 17 -0.121 -6.526 -1.988
138 HD12 ILE 17 HD12 ILE 17 -1.258 -5.180 -1.919
139 HD13 ILE 17 HD13 ILE 17 0.309 -5.051 -1.122
140 H SER 18 HN SER 18 3.871 -2.734 -3.497
141 HA SER 18 HA SER 18 6.290 -3.985 -4.385
142 HB2 SER 18 HB2 SER 18 5.461 -1.073 -4.356
143 HB3 SER 18 HB1 SER 18 6.895 -1.703 -5.165
144 HG SER 18 HG SER 18 4.638 -1.457 -6.276
145 H TRP 19 HN TRU 19 5.329 -2.168 -1.583
146 HA TRP 19 HA TRU 19 7.965 -1.456 -0.701
147 HB2 TRP 19 HB2 TRU 19 5.265 -0.931 0.121
148 HB3 TRP 19 HB1 TRU 19 6.200 -1.479 1.509
149 HD1 TRP 19 HD1 TRU 19 5.727 1.484 -0.778
150 HE1 TRP 19 HE1 TRU 19 7.223 3.431 0.008
151 HE3 TRP 19 HE3 TRU 19 8.595 -0.995 2.669
152 HZ2 TRP 19 HZ2 TRU 19 9.310 3.900 1.814
153 HZ3 TRP 19 HZ3 TRU 19 10.311 0.253 3.902
154 HH2 TRP 19 HH2 TRU 19 10.693 2.683 3.503
155 H ILE 20 HN ILE 20 5.693 -4.085 -0.020
156 HA ILE 20 HA ILE 20 7.337 -5.270 2.022
157 HB ILE 20 HB ILE 20 5.789 -7.244 1.837
158 HG12 ILE 20 HG12 ILE 20 3.535 -6.329 0.616
159 HG13 ILE 20 HG11 ILE 20 4.770 -5.664 -0.449
160 HG21 ILE 20 HG21 ILE 20 5.433 -5.519 3.486
161 HG22 ILE 20 HG22 ILE 20 3.884 -6.094 2.869
162 HG23 ILE 20 HG23 ILE 20 4.534 -4.550 2.318
163 HD11 ILE 20 HD11 ILE 20 4.101 -7.768 -1.321
164 HD12 ILE 20 HD12 ILE 20 4.314 -8.551 0.245
165 HD13 ILE 20 HD13 ILE 20 5.719 -7.962 -0.645
166 H LYS 21 HN LYS 21 6.962 -5.630 -1.436
167 HA LYS 21 HA LYS 21 8.470 -8.062 -1.672
168 HB2 LYS 21 HB2 LYS 21 7.476 -6.022 -3.646
169 HB3 LYS 21 HB1 LYS 21 8.562 -7.311 -4.145
170 HG2 LYS 21 HG2 LYS 21 6.918 -8.956 -3.268
171 HG3 LYS 21 HG1 LYS 21 5.816 -7.614 -2.953
172 HD2 LYS 21 HD2 LYS 21 5.759 -7.053 -5.301
173 HD3 LYS 21 HD1 LYS 21 6.977 -8.280 -5.657
174 HE2 LYS 21 HE2 LYS 21 5.433 -10.027 -4.927
175 HE3 LYS 21 HE1 LYS 21 4.219 -8.805 -4.552
176 HZ1 LYS 21 HZ1 LYS 21 3.819 -9.840 -6.701
177 HZ2 LYS 21 HZ2 LYS 21 5.340 -9.345 -7.250
178 HZ3 LYS 21 HZ3 LYS 21 4.158 -8.192 -6.884
179 H ARG 22 HN ARG 22 9.186 -4.625 -1.818
180 HA ARG 22 HA ARG 22 11.908 -4.973 -2.707
181 HB2 ARG 22 HB2 ARG 22 10.254 -2.629 -1.835
182 HB3 ARG 22 HB1 ARG 22 12.000 -2.471 -1.978
183 HG2 ARG 22 HG2 ARG 22 11.847 -3.188 -4.329
184 HG3 ARG 22 HG1 ARG 22 10.091 -3.257 -4.170
185 HD2 ARG 22 HD2 ARG 22 9.973 -0.904 -3.746
186 HD3 ARG 22 HD1 ARG 22 11.728 -0.783 -3.648
187 HE ARG 22 HE ARG 22 10.793 -1.773 -6.176
188 HH11 ARG 22 HH12 ARG 22 11.468 1.152 -4.354
189 HH12 ARG 22 HH11 ARG 22 11.692 2.121 -5.772
190 HH21 ARG 22 HH21 ARG 22 11.089 -0.485 -8.019
191 HH22 ARG 22 HH22 ARG 22 11.477 1.194 -7.844
192 H LYS 23 HN LYS 23 10.235 -4.771 0.335
193 HA LYS 23 HA LYS 23 12.636 -4.309 1.900
194 HB2 LYS 23 HB2 LYS 23 10.115 -3.598 2.369
195 HB3 LYS 23 HB1 LYS 23 10.069 -5.171 3.152
196 HG2 LYS 23 HG2 LYS 23 11.929 -4.511 4.595
197 HG3 LYS 23 HG1 LYS 23 11.980 -2.933 3.805
198 HD2 LYS 23 HD2 LYS 23 9.690 -2.488 4.557
199 HD3 LYS 23 HD1 LYS 23 9.642 -4.065 5.346
200 HE2 LYS 23 HE2 LYS 23 11.694 -1.968 6.015
201 HE3 LYS 23 HE1 LYS 23 10.134 -2.066 6.829
202 HZ1 LYS 23 HZ1 LYS 23 10.684 -4.314 7.531
203 HZ2 LYS 23 HZ2 LYS 23 11.852 -3.217 8.073
204 HZ3 LYS 23 HZ3 LYS 23 12.182 -4.218 6.750
205 H ARG 24 HN ARG 24 10.856 -6.989 0.677
206 HA ARG 24 HA ARG 24 12.010 -8.880 2.584
207 HB2 ARG 24 HB2 ARG 24 9.564 -8.846 1.484
208 HB3 ARG 24 HB1 ARG 24 10.389 -9.822 0.277
209 HG2 ARG 24 HG2 ARG 24 11.068 -11.403 2.013
210 HG3 ARG 24 HG1 ARG 24 10.244 -10.421 3.227
211 HD2 ARG 24 HD2 ARG 24 8.121 -10.766 2.013
212 HD3 ARG 24 HD1 ARG 24 8.967 -11.816 0.877
213 HE ARG 24 HE ARG 24 9.386 -12.732 3.510
214 HH11 ARG 24 HH11 ARG 24 6.851 -12.592 1.085
215 HH12 ARG 24 HH12 ARG 24 6.035 -13.995 1.689
216 HH21 ARG 24 HH22 ARG 24 8.296 -14.565 4.290
217 HH22 ARG 24 HH21 ARG 24 6.853 -15.110 3.502
218 H GLN 25 HN GLN 25 12.312 -7.850 -0.755
219 HA GLN 25 HA GLN 25 14.153 -10.010 -1.411
220 HB2 GLN 25 HB2 GLN 25 12.941 -7.770 -3.018
221 HB3 GLN 25 HB1 GLN 25 14.237 -8.772 -3.656
222 HG2 GLN 25 HG2 GLN 25 12.831 -10.764 -3.323
223 HG3 GLN 25 HG1 GLN 25 11.529 -9.728 -2.748
224 HE21 GLN 25 HE21 GLN 25 10.110 -10.295 -4.348
225 HE22 GLN 25 HE22 GLN 25 10.309 -9.836 -6.001
226 H GLN 26 HN GLN 26 14.209 -6.474 -1.056
227 HA GLN 26 HA GLN 26 17.131 -6.493 -1.296
228 HB2 GLN 26 HB2 GLN 26 15.098 -4.269 -1.405
229 HB3 GLN 26 HB1 GLN 26 16.820 -3.953 -1.261
230 HG2 GLN 26 HG2 GLN 26 17.220 -5.112 -3.366
231 HG3 GLN 26 HG1 GLN 26 15.498 -5.461 -3.507
232 HE21 GLN 26 HE21 GLN 26 17.955 -3.013 -3.686
233 HE22 GLN 26 HE22 GLN 26 16.987 -1.806 -4.454
234 HN1 NH2 27 H1 GLN 26 14.598 -5.240 0.845
235 HN2 NH2 27 H2 GLN 26 15.575 -5.176 2.268
236 HC1 3UQ 101 HC1 TRU 19 6.659 -0.057 5.509
237 HC2 3UQ 101 HC2 TRU 19 8.571 1.610 6.469
238 HC3 3UQ 101 HC3 TRU 19 8.062 4.104 5.529
239 HC4 3UQ 101 HC4 TRU 19 4.976 1.406 3.969
240 HC5 3UQ 101 HC5 TRU 19 5.836 3.977 3.982
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -13.185 7.123 9.631
2 H2 GLY 1 HT2 GLY 1 -13.671 8.625 10.235
3 H3 GLY 1 HT3 GLY 1 -12.807 8.538 8.784
4 HA2 GLY 1 HA1 GLY 1 -15.546 7.487 9.245
5 HA3 GLY 1 HA2 GLY 1 -15.150 8.951 8.360
6 H ILE 2 HN ILE 2 -16.655 7.191 7.068
7 HA ILE 2 HA ILE 2 -15.358 5.144 5.631
8 HB ILE 2 HB ILE 2 -17.274 5.372 3.983
9 HG12 ILE 2 HG12 ILE 2 -18.817 7.004 5.910
10 HG13 ILE 2 HG11 ILE 2 -17.604 7.893 4.996
11 HG21 ILE 2 HG21 ILE 2 -18.916 4.452 5.562
12 HG22 ILE 2 HG22 ILE 2 -17.911 4.997 6.905
13 HG23 ILE 2 HG23 ILE 2 -17.307 3.770 5.792
14 HD11 ILE 2 HD11 ILE 2 -18.609 7.091 2.909
15 HD12 ILE 2 HD12 ILE 2 -19.756 7.997 3.896
16 HD13 ILE 2 HD13 ILE 2 -19.837 6.236 3.842
17 H GLY 3 HN GLY 3 -15.907 8.549 4.831
18 HA2 GLY 3 HA2 GLY 3 -14.832 8.440 2.193
19 HA3 GLY 3 HA1 GLY 3 -15.124 9.892 3.134
20 H ALA 4 HN ALA 4 -13.389 8.890 5.346
21 HA ALA 4 HA ALA 4 -10.896 9.946 4.382
22 HB1 ALA 4 HB1 ALA 4 -11.553 8.774 7.083
23 HB2 ALA 4 HB2 ALA 4 -11.735 10.468 6.630
24 HB3 ALA 4 HB3 ALA 4 -10.131 9.736 6.676
25 H VAL 5 HN VAL 5 -12.023 6.758 5.516
26 HA VAL 5 HA VAL 5 -9.483 5.486 5.156
27 HB VAL 5 HB VAL 5 -10.779 3.321 5.370
28 HG11 VAL 5 HG11 VAL 5 -11.189 3.612 7.764
29 HG12 VAL 5 HG12 VAL 5 -11.095 5.362 7.564
30 HG13 VAL 5 HG13 VAL 5 -9.674 4.362 7.263
31 HG21 VAL 5 HG21 VAL 5 -12.968 4.111 4.574
32 HG22 VAL 5 HG22 VAL 5 -13.095 5.161 5.985
33 HG23 VAL 5 HG23 VAL 5 -13.076 3.410 6.190
34 H LEU 6 HN LEU 6 -12.143 6.183 3.064
35 HA LEU 6 HA LEU 6 -11.413 4.243 1.041
36 HB2 LEU 6 HB2 LEU 6 -13.772 5.214 1.621
37 HB3 LEU 6 HB1 LEU 6 -13.286 6.541 0.587
38 HG LEU 6 HG LEU 6 -12.786 4.599 -1.133
39 HD11 LEU 6 HD11 LEU 6 -14.373 2.761 -0.938
40 HD12 LEU 6 HD12 LEU 6 -14.913 3.378 0.623
41 HD13 LEU 6 HD13 LEU 6 -13.265 2.779 0.434
42 HD21 LEU 6 HD21 LEU 6 -15.546 5.615 -0.473
43 HD22 LEU 6 HD22 LEU 6 -15.075 4.866 -1.998
44 HD23 LEU 6 HD23 LEU 6 -14.357 6.401 -1.511
45 H LYS 7 HN LYS 7 -11.088 7.731 1.569
46 HA LYS 7 HA LYS 7 -9.902 8.227 -1.014
47 HB2 LYS 7 HB2 LYS 7 -11.206 9.782 0.853
48 HB3 LYS 7 HB1 LYS 7 -9.536 10.307 1.006
49 HG2 LYS 7 HG2 LYS 7 -10.275 11.753 -0.599
50 HG3 LYS 7 HG1 LYS 7 -9.680 10.443 -1.620
51 HD2 LYS 7 HD2 LYS 7 -11.948 9.553 -1.813
52 HD3 LYS 7 HD1 LYS 7 -12.550 10.831 -0.756
53 HE2 LYS 7 HE2 LYS 7 -13.043 11.535 -2.951
54 HE3 LYS 7 HE1 LYS 7 -11.637 12.474 -2.454
55 HZ1 LYS 7 HZ1 LYS 7 -10.227 10.941 -3.687
56 HZ2 LYS 7 HZ2 LYS 7 -11.385 11.640 -4.703
57 HZ3 LYS 7 HZ3 LYS 7 -11.581 10.047 -4.168
58 H VAL 8 HN VAL 8 -8.689 7.260 2.066
59 HA VAL 8 HA VAL 8 -5.970 8.111 1.321
60 HB VAL 8 HB VAL 8 -6.950 7.236 4.056
61 HG11 VAL 8 HG11 VAL 8 -4.573 6.743 3.734
62 HG12 VAL 8 HG12 VAL 8 -4.797 8.055 4.890
63 HG13 VAL 8 HG13 VAL 8 -4.288 8.413 3.240
64 HG21 VAL 8 HG21 VAL 8 -7.895 9.388 3.443
65 HG22 VAL 8 HG22 VAL 8 -6.296 9.991 3.007
66 HG23 VAL 8 HG23 VAL 8 -6.663 9.600 4.687
67 H LEU 9 HN LEU 9 -7.824 5.264 2.423
68 HA LEU 9 HA LEU 9 -5.494 3.563 1.987
69 HB2 LEU 9 HB2 LEU 9 -7.441 3.458 3.867
70 HB3 LEU 9 HB1 LEU 9 -8.065 2.308 2.702
71 HG LEU 9 HG LEU 9 -5.243 2.076 3.713
72 HD11 LEU 9 HD11 LEU 9 -6.046 0.567 5.454
73 HD12 LEU 9 HD12 LEU 9 -7.712 0.949 5.023
74 HD13 LEU 9 HD13 LEU 9 -6.663 2.202 5.687
75 HD21 LEU 9 HD21 LEU 9 -7.245 0.082 2.648
76 HD22 LEU 9 HD22 LEU 9 -5.622 -0.306 3.216
77 HD23 LEU 9 HD23 LEU 9 -5.837 0.712 1.792
78 H THR 10 HN THR 10 -8.677 4.155 0.554
79 HA THR 10 HA THR 10 -8.210 2.029 -1.404
80 HB THR 10 HB THR 10 -10.682 3.710 -1.514
81 HG1 THR 10 HG1 THR 10 -9.886 2.265 0.676
82 HG21 THR 10 HG21 THR 10 -10.330 1.912 -3.148
83 HG22 THR 10 HG22 THR 10 -11.713 1.568 -2.109
84 HG23 THR 10 HG23 THR 10 -10.177 0.747 -1.833
85 H THR 11 HN THR 11 -6.339 3.517 -2.027
86 HA THR 11 HA THR 11 -7.125 4.989 -4.423
87 HB THR 11 HB THR 11 -5.365 6.767 -3.842
88 HG1 THR 11 HG1 THR 11 -5.674 5.444 -1.379
89 HG21 THR 11 HG21 THR 11 -7.751 7.264 -3.935
90 HG22 THR 11 HG22 THR 11 -6.991 8.130 -2.600
91 HG23 THR 11 HG23 THR 11 -7.950 6.685 -2.282
92 H GLY 12 HN GLY 12 -4.446 3.792 -2.417
93 HA2 GLY 12 HA2 GLY 12 -3.048 2.982 -4.890
94 HA3 GLY 12 HA1 GLY 12 -2.184 3.723 -3.551
95 H LEU 13 HN LEU 13 -3.067 0.846 -4.968
96 HA LEU 13 HA LEU 13 -2.824 -0.689 -2.484
97 HB2 LEU 13 HB2 LEU 13 -4.182 -1.162 -5.063
98 HB3 LEU 13 HB1 LEU 13 -3.431 -2.566 -4.332
99 HG LEU 13 HG LEU 13 -4.765 -1.785 -2.196
100 HD11 LEU 13 HD11 LEU 13 -6.924 -0.791 -2.766
101 HD12 LEU 13 HD12 LEU 13 -6.396 -0.596 -4.437
102 HD13 LEU 13 HD13 LEU 13 -5.593 0.301 -3.149
103 HD21 LEU 13 HD21 LEU 13 -6.047 -3.144 -4.560
104 HD22 LEU 13 HD22 LEU 13 -6.624 -3.219 -2.895
105 HD23 LEU 13 HD23 LEU 13 -5.059 -3.915 -3.318
106 HA PRO 14 HA PRO 14 0.546 -2.711 -5.420
107 HB2 PRO 14 HB2 PRO 14 1.282 -0.498 -7.228
108 HB3 PRO 14 HB1 PRO 14 0.972 -2.203 -7.603
109 HG2 PRO 14 HG2 PRO 14 -0.736 -0.307 -8.337
110 HG3 PRO 14 HG1 PRO 14 -1.296 -1.901 -7.788
111 HD2 PRO 14 HD2 PRO 14 -1.204 0.683 -6.277
112 HD3 PRO 14 HD1 PRO 14 -2.494 -0.534 -6.348
113 H ALA 15 HN ALA 15 0.506 0.379 -3.992
114 HA ALA 15 HA ALA 15 3.320 0.905 -3.941
115 HB1 ALA 15 HB1 ALA 15 1.658 2.693 -3.717
116 HB2 ALA 15 HB2 ALA 15 2.775 2.663 -2.352
117 HB3 ALA 15 HB3 ALA 15 1.143 2.017 -2.171
118 H LEU 16 HN LEU 16 1.022 -0.549 -1.659
119 HA LEU 16 HA LEU 16 2.946 -0.974 0.420
120 HB2 LEU 16 HB2 LEU 16 0.187 -2.111 -0.035
121 HB3 LEU 16 HB1 LEU 16 1.147 -2.438 1.393
122 HG LEU 16 HG LEU 16 0.589 0.408 0.682
123 HD11 LEU 16 HD11 LEU 16 -1.521 0.321 1.922
124 HD12 LEU 16 HD12 LEU 16 -1.384 -1.435 2.022
125 HD13 LEU 16 HD13 LEU 16 -1.582 -0.654 0.453
126 HD21 LEU 16 HD21 LEU 16 0.811 -1.084 3.297
127 HD22 LEU 16 HD22 LEU 16 0.593 0.657 3.117
128 HD23 LEU 16 HD23 LEU 16 2.076 -0.109 2.549
129 H ILE 17 HN ILE 17 1.691 -2.866 -2.259
130 HA ILE 17 HA ILE 17 2.812 -5.381 -1.513
131 HB ILE 17 HB ILE 17 2.268 -4.620 -4.376
132 HG12 ILE 17 HG12 ILE 17 0.275 -3.818 -3.270
133 HG13 ILE 17 HG11 ILE 17 -0.116 -5.322 -4.083
134 HG21 ILE 17 HG21 ILE 17 1.552 -6.976 -4.569
135 HG22 ILE 17 HG22 ILE 17 1.983 -7.219 -2.876
136 HG23 ILE 17 HG23 ILE 17 3.228 -6.797 -4.051
137 HD11 ILE 17 HD11 ILE 17 -0.057 -6.499 -1.940
138 HD12 ILE 17 HD12 ILE 17 -1.202 -5.157 -1.906
139 HD13 ILE 17 HD13 ILE 17 0.370 -4.996 -1.122
140 H SER 18 HN SER 18 3.904 -2.664 -3.485
141 HA SER 18 HA SER 18 6.320 -3.897 -4.403
142 HB2 SER 18 HB2 SER 18 5.410 -1.012 -4.370
143 HB3 SER 18 HB1 SER 18 6.913 -1.558 -5.113
144 HG SER 18 HG SER 18 5.303 -3.119 -6.206
145 H TRP 19 HN TRU 19 5.392 -2.050 -1.594
146 HA TRP 19 HA TRU 19 8.044 -1.377 -0.734
147 HB2 TRP 19 HB2 TRU 19 5.308 -0.996 0.256
148 HB3 TRP 19 HB1 TRU 19 6.497 -1.242 1.532
149 HD1 TRP 19 HD1 TRU 19 5.628 1.196 -1.310
150 HE1 TRP 19 HE1 TRU 19 6.823 3.437 -0.866
151 HE3 TRP 19 HE3 TRU 19 8.503 -0.163 2.709
152 HZ2 TRP 19 HZ2 TRU 19 8.700 4.519 0.906
153 HZ3 TRP 19 HZ3 TRU 19 9.964 1.517 3.742
154 HH2 TRP 19 HH2 TRU 19 10.087 3.848 2.874
155 H ILE 20 HN ILE 20 5.746 -3.975 -0.014
156 HA ILE 20 HA ILE 20 7.395 -5.181 2.012
157 HB ILE 20 HB ILE 20 5.826 -7.148 1.815
158 HG12 ILE 20 HG12 ILE 20 3.571 -6.173 0.637
159 HG13 ILE 20 HG11 ILE 20 4.807 -5.519 -0.432
160 HG21 ILE 20 HG21 ILE 20 5.515 -5.453 3.500
161 HG22 ILE 20 HG22 ILE 20 3.948 -5.985 2.888
162 HG23 ILE 20 HG23 ILE 20 4.623 -4.443 2.362
163 HD11 ILE 20 HD11 ILE 20 4.112 -7.589 -1.338
164 HD12 ILE 20 HD12 ILE 20 4.278 -8.401 0.219
165 HD13 ILE 20 HD13 ILE 20 5.713 -7.844 -0.641
166 H LYS 21 HN LYS 21 6.993 -5.541 -1.442
167 HA LYS 21 HA LYS 21 8.473 -7.989 -1.687
168 HB2 LYS 21 HB2 LYS 21 7.451 -5.948 -3.639
169 HB3 LYS 21 HB1 LYS 21 8.552 -7.213 -4.166
170 HG2 LYS 21 HG2 LYS 21 6.950 -8.896 -3.295
171 HG3 LYS 21 HG1 LYS 21 5.830 -7.580 -2.938
172 HD2 LYS 21 HD2 LYS 21 5.712 -6.984 -5.271
173 HD3 LYS 21 HD1 LYS 21 6.954 -8.172 -5.673
174 HE2 LYS 21 HE2 LYS 21 5.478 -9.975 -4.966
175 HE3 LYS 21 HE1 LYS 21 4.243 -8.804 -4.510
176 HZ1 LYS 21 HZ1 LYS 21 3.808 -9.787 -6.681
177 HZ2 LYS 21 HZ2 LYS 21 5.288 -9.210 -7.260
178 HZ3 LYS 21 HZ3 LYS 21 4.074 -8.121 -6.812
179 H ARG 22 HN ARG 22 9.229 -4.561 -1.818
180 HA ARG 22 HA ARG 22 11.938 -4.935 -2.742
181 HB2 ARG 22 HB2 ARG 22 10.335 -2.570 -1.819
182 HB3 ARG 22 HB1 ARG 22 12.079 -2.442 -2.006
183 HG2 ARG 22 HG2 ARG 22 11.863 -3.120 -4.357
184 HG3 ARG 22 HG1 ARG 22 10.111 -3.193 -4.159
185 HD2 ARG 22 HD2 ARG 22 10.034 -0.829 -3.653
186 HD3 ARG 22 HD1 ARG 22 11.793 -0.730 -3.716
187 HE ARG 22 HE ARG 22 10.748 -1.724 -6.159
188 HH11 ARG 22 HH12 ARG 22 11.131 1.275 -4.371
189 HH12 ARG 22 HH11 ARG 22 11.130 2.258 -5.797
190 HH21 ARG 22 HH21 ARG 22 10.754 -0.417 -8.011
191 HH22 ARG 22 HH22 ARG 22 10.916 1.300 -7.855
192 H LYS 23 HN LYS 23 10.291 -4.758 0.310
193 HA LYS 23 HA LYS 23 12.701 -4.341 1.871
194 HB2 LYS 23 HB2 LYS 23 9.805 -4.393 2.383
195 HB3 LYS 23 HB1 LYS 23 10.784 -5.070 3.677
196 HG2 LYS 23 HG2 LYS 23 12.088 -2.991 3.758
197 HG3 LYS 23 HG1 LYS 23 11.057 -2.315 2.495
198 HD2 LYS 23 HD2 LYS 23 9.138 -2.402 3.917
199 HD3 LYS 23 HD1 LYS 23 10.014 -3.328 5.136
200 HE2 LYS 23 HE2 LYS 23 10.821 -0.554 4.297
201 HE3 LYS 23 HE1 LYS 23 9.686 -0.859 5.610
202 HZ1 LYS 23 HZ1 LYS 23 11.402 -2.133 6.744
203 HZ2 LYS 23 HZ2 LYS 23 11.933 -0.557 6.438
204 HZ3 LYS 23 HZ3 LYS 23 12.491 -1.836 5.482
205 H ARG 24 HN ARG 24 10.876 -6.989 0.642
206 HA ARG 24 HA ARG 24 12.034 -8.918 2.505
207 HB2 ARG 24 HB2 ARG 24 9.581 -8.826 1.413
208 HB3 ARG 24 HB1 ARG 24 10.386 -9.816 0.205
209 HG2 ARG 24 HG2 ARG 24 11.035 -11.411 1.939
210 HG3 ARG 24 HG1 ARG 24 10.231 -10.414 3.154
211 HD2 ARG 24 HD2 ARG 24 8.101 -10.714 1.942
212 HD3 ARG 24 HD1 ARG 24 8.925 -11.777 0.802
213 HE ARG 24 HE ARG 24 9.319 -12.700 3.441
214 HH11 ARG 24 HH11 ARG 24 6.815 -12.541 0.983
215 HH12 ARG 24 HH12 ARG 24 5.981 -13.938 1.578
216 HH21 ARG 24 HH22 ARG 24 8.207 -14.524 4.207
217 HH22 ARG 24 HH21 ARG 24 6.770 -15.059 3.401
218 H GLN 25 HN GLN 25 12.278 -7.890 -0.849
219 HA GLN 25 HA GLN 25 14.111 -10.050 -1.529
220 HB2 GLN 25 HB2 GLN 25 12.872 -7.815 -3.124
221 HB3 GLN 25 HB1 GLN 25 14.151 -8.826 -3.781
222 HG2 GLN 25 HG2 GLN 25 12.743 -10.809 -3.418
223 HG3 GLN 25 HG1 GLN 25 11.458 -9.767 -2.817
224 HE21 GLN 25 HE21 GLN 25 10.011 -10.353 -4.394
225 HE22 GLN 25 HE22 GLN 25 10.175 -9.884 -6.048
226 H GLN 26 HN GLN 26 14.169 -6.510 -1.198
227 HA GLN 26 HA GLN 26 17.095 -6.547 -1.439
228 HB2 GLN 26 HB2 GLN 26 15.068 -4.331 -1.690
229 HB3 GLN 26 HB1 GLN 26 16.786 -4.002 -1.516
230 HG2 GLN 26 HG2 GLN 26 17.239 -5.270 -3.553
231 HG3 GLN 26 HG1 GLN 26 15.516 -5.606 -3.725
232 HE21 GLN 26 HE21 GLN 26 18.009 -3.201 -3.952
233 HE22 GLN 26 HE22 GLN 26 17.078 -2.019 -4.799
234 HN1 NH2 27 H1 GLN 26 14.542 -5.188 0.612
235 HN2 NH2 27 H2 GLN 26 15.501 -5.068 2.043
236 HC1 3UQ 101 HC1 TRU 19 6.263 1.057 5.197
237 HC2 3UQ 101 HC2 TRU 19 7.889 3.115 5.889
238 HC3 3UQ 101 HC3 TRU 19 7.161 5.286 4.433
239 HC4 3UQ 101 HC4 TRU 19 4.540 1.956 3.309
240 HC5 3UQ 101 HC5 TRU 19 5.089 4.567 2.837
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -12.552 9.482 8.809
2 H2 GLY 1 HT2 GLY 1 -13.629 10.584 9.507
3 H3 GLY 1 HT3 GLY 1 -13.631 10.346 7.833
4 HA2 GLY 1 HA1 GLY 1 -14.383 8.323 9.871
5 HA3 GLY 1 HA2 GLY 1 -15.509 9.227 8.871
6 H ILE 2 HN ILE 2 -16.387 7.421 7.897
7 HA ILE 2 HA ILE 2 -14.930 5.312 6.724
8 HB ILE 2 HB ILE 2 -17.074 4.871 5.410
9 HG12 ILE 2 HG12 ILE 2 -19.034 6.071 6.825
10 HG13 ILE 2 HG11 ILE 2 -17.842 7.367 6.842
11 HG21 ILE 2 HG21 ILE 2 -18.221 4.011 7.403
12 HG22 ILE 2 HG22 ILE 2 -17.147 4.973 8.418
13 HG23 ILE 2 HG23 ILE 2 -16.490 3.676 7.420
14 HD11 ILE 2 HD11 ILE 2 -19.389 7.629 4.997
15 HD12 ILE 2 HD12 ILE 2 -18.969 6.026 4.395
16 HD13 ILE 2 HD13 ILE 2 -17.761 7.310 4.399
17 H GLY 3 HN GLY 3 -16.088 8.358 5.383
18 HA2 GLY 3 HA2 GLY 3 -15.490 7.778 2.653
19 HA3 GLY 3 HA1 GLY 3 -15.794 9.368 3.334
20 H ALA 4 HN ALA 4 -13.636 9.157 5.303
21 HA ALA 4 HA ALA 4 -11.480 10.127 3.688
22 HB1 ALA 4 HB1 ALA 4 -11.555 9.587 6.655
23 HB2 ALA 4 HB2 ALA 4 -12.009 11.102 5.874
24 HB3 ALA 4 HB3 ALA 4 -10.341 10.536 5.797
25 H VAL 5 HN VAL 5 -11.912 7.264 5.791
26 HA VAL 5 HA VAL 5 -9.355 6.151 5.303
27 HB VAL 5 HB VAL 5 -10.396 3.956 6.077
28 HG11 VAL 5 HG11 VAL 5 -10.519 4.696 8.408
29 HG12 VAL 5 HG12 VAL 5 -10.604 6.372 7.866
30 HG13 VAL 5 HG13 VAL 5 -9.152 5.419 7.558
31 HG21 VAL 5 HG21 VAL 5 -12.729 4.416 5.482
32 HG22 VAL 5 HG22 VAL 5 -12.765 5.736 6.651
33 HG23 VAL 5 HG23 VAL 5 -12.563 4.074 7.205
34 H LEU 6 HN LEU 6 -12.448 5.792 3.648
35 HA LEU 6 HA LEU 6 -11.589 3.702 1.889
36 HB2 LEU 6 HB2 LEU 6 -13.975 5.499 2.032
37 HB3 LEU 6 HB1 LEU 6 -13.672 4.599 0.559
38 HG LEU 6 HG LEU 6 -13.754 3.145 3.176
39 HD11 LEU 6 HD11 LEU 6 -16.168 2.808 2.876
40 HD12 LEU 6 HD12 LEU 6 -16.155 3.971 1.550
41 HD13 LEU 6 HD13 LEU 6 -15.769 4.497 3.188
42 HD21 LEU 6 HD21 LEU 6 -14.537 2.390 0.359
43 HD22 LEU 6 HD22 LEU 6 -14.562 1.323 1.762
44 HD23 LEU 6 HD23 LEU 6 -13.029 1.953 1.161
45 H LYS 7 HN LYS 7 -11.495 7.198 1.822
46 HA LYS 7 HA LYS 7 -10.941 7.491 -0.966
47 HB2 LYS 7 HB2 LYS 7 -10.994 9.253 1.407
48 HB3 LYS 7 HB1 LYS 7 -9.934 9.763 0.100
49 HG2 LYS 7 HG2 LYS 7 -11.878 9.581 -1.451
50 HG3 LYS 7 HG1 LYS 7 -12.900 9.272 -0.045
51 HD2 LYS 7 HD2 LYS 7 -12.397 11.424 0.876
52 HD3 LYS 7 HD1 LYS 7 -11.164 11.719 -0.350
53 HE2 LYS 7 HE2 LYS 7 -13.030 12.962 -1.050
54 HE3 LYS 7 HE1 LYS 7 -13.041 11.516 -2.058
55 HZ1 LYS 7 HZ1 LYS 7 -15.249 11.990 -1.265
56 HZ2 LYS 7 HZ2 LYS 7 -14.724 11.997 0.342
57 HZ3 LYS 7 HZ3 LYS 7 -14.700 10.559 -0.548
58 H VAL 8 HN VAL 8 -8.956 7.076 1.914
59 HA VAL 8 HA VAL 8 -6.498 7.452 0.390
60 HB VAL 8 HB VAL 8 -5.347 6.965 2.604
61 HG11 VAL 8 HG11 VAL 8 -5.783 9.212 3.478
62 HG12 VAL 8 HG12 VAL 8 -7.196 9.337 2.430
63 HG13 VAL 8 HG13 VAL 8 -5.584 9.207 1.725
64 HG21 VAL 8 HG21 VAL 8 -7.207 5.827 3.744
65 HG22 VAL 8 HG22 VAL 8 -8.131 7.329 3.723
66 HG23 VAL 8 HG23 VAL 8 -6.638 7.226 4.655
67 H LEU 9 HN LEU 9 -8.572 4.902 1.075
68 HA LEU 9 HA LEU 9 -6.467 2.865 1.023
69 HB2 LEU 9 HB2 LEU 9 -8.553 2.890 2.597
70 HB3 LEU 9 HB1 LEU 9 -9.393 2.253 1.198
71 HG LEU 9 HG LEU 9 -7.444 0.475 1.222
72 HD11 LEU 9 HD11 LEU 9 -6.742 -0.082 3.502
73 HD12 LEU 9 HD12 LEU 9 -7.536 1.375 4.100
74 HD13 LEU 9 HD13 LEU 9 -6.157 1.507 3.009
75 HD21 LEU 9 HD21 LEU 9 -9.761 0.452 3.150
76 HD22 LEU 9 HD22 LEU 9 -8.848 -0.964 2.632
77 HD23 LEU 9 HD23 LEU 9 -9.798 -0.051 1.461
78 H THR 10 HN THR 10 -8.967 4.249 -0.985
79 HA THR 10 HA THR 10 -8.890 2.108 -2.943
80 HB THR 10 HB THR 10 -10.392 3.627 -4.281
81 HG1 THR 10 HG1 THR 10 -10.751 5.595 -3.591
82 HG21 THR 10 HG21 THR 10 -12.345 3.309 -2.832
83 HG22 THR 10 HG22 THR 10 -11.280 2.984 -1.465
84 HG23 THR 10 HG23 THR 10 -11.313 1.879 -2.840
85 H THR 11 HN THR 11 -6.900 4.708 -2.291
86 HA THR 11 HA THR 11 -6.165 5.129 -5.106
87 HB THR 11 HB THR 11 -4.748 7.022 -4.163
88 HG1 THR 11 HG1 THR 11 -6.113 7.554 -2.002
89 HG21 THR 11 HG21 THR 11 -6.663 8.549 -3.954
90 HG22 THR 11 HG22 THR 11 -7.745 7.164 -3.806
91 HG23 THR 11 HG23 THR 11 -6.863 7.436 -5.308
92 H GLY 12 HN GLY 12 -4.712 4.385 -1.936
93 HA2 GLY 12 HA2 GLY 12 -2.207 3.626 -3.269
94 HA3 GLY 12 HA1 GLY 12 -2.414 3.895 -1.546
95 H LEU 13 HN LEU 13 -2.147 1.600 -3.976
96 HA LEU 13 HA LEU 13 -2.819 -0.544 -2.096
97 HB2 LEU 13 HB2 LEU 13 -4.573 -0.029 -4.020
98 HB3 LEU 13 HB1 LEU 13 -3.462 -0.989 -4.974
99 HG LEU 13 HG LEU 13 -3.732 -2.702 -2.981
100 HD11 LEU 13 HD11 LEU 13 -6.010 -2.692 -2.086
101 HD12 LEU 13 HD12 LEU 13 -6.312 -1.143 -2.873
102 HD13 LEU 13 HD13 LEU 13 -5.110 -1.259 -1.588
103 HD21 LEU 13 HD21 LEU 13 -5.801 -2.276 -5.133
104 HD22 LEU 13 HD22 LEU 13 -5.551 -3.772 -4.233
105 HD23 LEU 13 HD23 LEU 13 -4.285 -3.162 -5.300
106 HA PRO 14 HA PRO 14 0.519 -2.220 -5.153
107 HB2 PRO 14 HB2 PRO 14 1.490 -0.077 -6.851
108 HB3 PRO 14 HB1 PRO 14 0.710 -1.595 -7.327
109 HG2 PRO 14 HG2 PRO 14 -0.450 0.823 -7.673
110 HG3 PRO 14 HG1 PRO 14 -1.371 -0.669 -7.400
111 HD2 PRO 14 HD2 PRO 14 -0.640 1.474 -5.437
112 HD3 PRO 14 HD1 PRO 14 -2.194 0.646 -5.669
113 H ALA 15 HN ALA 15 0.766 0.804 -3.575
114 HA ALA 15 HA ALA 15 3.602 1.116 -3.573
115 HB1 ALA 15 HB1 ALA 15 2.072 2.991 -3.198
116 HB2 ALA 15 HB2 ALA 15 3.231 2.816 -1.881
117 HB3 ALA 15 HB3 ALA 15 1.568 2.269 -1.670
118 H LEU 16 HN LEU 16 1.297 -0.323 -1.285
119 HA LEU 16 HA LEU 16 3.236 -0.926 0.723
120 HB2 LEU 16 HB2 LEU 16 0.442 -1.955 0.241
121 HB3 LEU 16 HB1 LEU 16 1.412 -2.422 1.623
122 HG LEU 16 HG LEU 16 1.547 0.207 1.973
123 HD11 LEU 16 HD11 LEU 16 -0.574 1.282 1.394
124 HD12 LEU 16 HD12 LEU 16 -1.066 -0.164 0.512
125 HD13 LEU 16 HD13 LEU 16 0.314 0.781 -0.046
126 HD21 LEU 16 HD21 LEU 16 -0.829 -1.499 2.708
127 HD22 LEU 16 HD22 LEU 16 -0.374 0.017 3.487
128 HD23 LEU 16 HD23 LEU 16 0.691 -1.384 3.595
129 H ILE 17 HN ILE 17 1.883 -2.680 -2.008
130 HA ILE 17 HA ILE 17 2.977 -5.239 -1.381
131 HB ILE 17 HB ILE 17 2.312 -4.353 -4.184
132 HG12 ILE 17 HG12 ILE 17 0.382 -3.611 -2.922
133 HG13 ILE 17 HG11 ILE 17 -0.054 -5.060 -3.809
134 HG21 ILE 17 HG21 ILE 17 1.585 -6.700 -4.456
135 HG22 ILE 17 HG22 ILE 17 2.108 -7.026 -2.803
136 HG23 ILE 17 HG23 ILE 17 3.287 -6.542 -4.023
137 HD11 ILE 17 HD11 ILE 17 0.129 -6.371 -1.745
138 HD12 ILE 17 HD12 ILE 17 -1.034 -5.055 -1.586
139 HD13 ILE 17 HD13 ILE 17 0.567 -4.909 -0.861
140 H SER 18 HN SER 18 4.055 -2.503 -3.354
141 HA SER 18 HA SER 18 6.381 -3.778 -4.413
142 HB2 SER 18 HB2 SER 18 5.639 -0.852 -4.210
143 HB3 SER 18 HB1 SER 18 7.025 -1.472 -5.107
144 HG SER 18 HG SER 18 4.949 -2.867 -5.900
145 H TRP 19 HN TRU 19 5.703 -1.894 -1.534
146 HA TRP 19 HA TRU 19 8.434 -1.425 -0.807
147 HB2 TRP 19 HB2 TRU 19 5.777 -0.907 0.379
148 HB3 TRP 19 HB1 TRU 19 7.094 -1.113 1.530
149 HD1 TRP 19 HD1 TRU 19 6.147 1.121 -1.492
150 HE1 TRP 19 HE1 TRU 19 7.342 3.389 -1.223
151 HE3 TRP 19 HE3 TRU 19 8.960 0.105 2.670
152 HZ2 TRP 19 HZ2 TRU 19 9.195 4.616 0.480
153 HZ3 TRP 19 HZ3 TRU 19 10.410 1.865 3.580
154 HH2 TRP 19 HH2 TRU 19 10.550 4.115 2.518
155 H ILE 20 HN ILE 20 6.011 -3.875 0.014
156 HA ILE 20 HA ILE 20 7.651 -5.151 2.001
157 HB ILE 20 HB ILE 20 5.995 -7.020 1.919
158 HG12 ILE 20 HG12 ILE 20 3.766 -6.028 0.693
159 HG13 ILE 20 HG11 ILE 20 5.025 -5.501 -0.421
160 HG21 ILE 20 HG21 ILE 20 5.745 -5.227 3.508
161 HG22 ILE 20 HG22 ILE 20 4.160 -5.742 2.931
162 HG23 ILE 20 HG23 ILE 20 4.880 -4.253 2.320
163 HD11 ILE 20 HD11 ILE 20 4.182 -7.615 -1.146
164 HD12 ILE 20 HD12 ILE 20 4.438 -8.317 0.451
165 HD13 ILE 20 HD13 ILE 20 5.821 -7.846 -0.536
166 H LYS 21 HN LYS 21 7.092 -5.586 -1.439
167 HA LYS 21 HA LYS 21 8.464 -8.093 -1.664
168 HB2 LYS 21 HB2 LYS 21 7.493 -6.057 -3.652
169 HB3 LYS 21 HB1 LYS 21 8.488 -7.413 -4.162
170 HG2 LYS 21 HG2 LYS 21 6.809 -8.951 -3.185
171 HG3 LYS 21 HG1 LYS 21 5.794 -7.552 -2.829
172 HD2 LYS 21 HD2 LYS 21 5.623 -7.022 -5.175
173 HD3 LYS 21 HD1 LYS 21 6.767 -8.303 -5.584
174 HE2 LYS 21 HE2 LYS 21 5.200 -9.978 -4.759
175 HE3 LYS 21 HE1 LYS 21 4.064 -8.709 -4.303
176 HZ1 LYS 21 HZ1 LYS 21 3.457 -9.703 -6.410
177 HZ2 LYS 21 HZ2 LYS 21 4.968 -9.322 -7.066
178 HZ3 LYS 21 HZ3 LYS 21 3.897 -8.085 -6.639
179 H ARG 22 HN ARG 22 9.368 -4.706 -1.980
180 HA ARG 22 HA ARG 22 12.010 -5.245 -2.988
181 HB2 ARG 22 HB2 ARG 22 10.579 -2.772 -2.066
182 HB3 ARG 22 HB1 ARG 22 12.311 -2.743 -2.371
183 HG2 ARG 22 HG2 ARG 22 11.883 -3.531 -4.672
184 HG3 ARG 22 HG1 ARG 22 10.150 -3.442 -4.349
185 HD2 ARG 22 HD2 ARG 22 10.343 -1.051 -3.919
186 HD3 ARG 22 HD1 ARG 22 12.083 -1.130 -4.198
187 HE ARG 22 HE ARG 22 10.594 -2.110 -6.426
188 HH11 ARG 22 HH12 ARG 22 11.696 0.863 -4.914
189 HH12 ARG 22 HH11 ARG 22 11.655 1.763 -6.393
190 HH21 ARG 22 HH21 ARG 22 10.552 -0.913 -8.348
191 HH22 ARG 22 HH22 ARG 22 11.008 0.758 -8.334
192 H LYS 23 HN LYS 23 10.546 -4.835 0.151
193 HA LYS 23 HA LYS 23 13.083 -4.535 1.528
194 HB2 LYS 23 HB2 LYS 23 10.212 -4.562 2.369
195 HB3 LYS 23 HB1 LYS 23 11.466 -4.833 3.572
196 HG2 LYS 23 HG2 LYS 23 12.503 -2.690 2.930
197 HG3 LYS 23 HG1 LYS 23 11.174 -2.414 1.803
198 HD2 LYS 23 HD2 LYS 23 9.589 -2.291 3.568
199 HD3 LYS 23 HD1 LYS 23 10.755 -2.898 4.745
200 HE2 LYS 23 HE2 LYS 23 11.172 -0.324 3.250
201 HE3 LYS 23 HE1 LYS 23 10.272 -0.393 4.764
202 HZ1 LYS 23 HZ1 LYS 23 12.227 -1.308 5.846
203 HZ2 LYS 23 HZ2 LYS 23 12.594 0.178 5.127
204 HZ3 LYS 23 HZ3 LYS 23 13.089 -1.261 4.391
205 H ARG 24 HN ARG 24 11.019 -7.100 0.539
206 HA ARG 24 HA ARG 24 12.125 -9.007 2.456
207 HB2 ARG 24 HB2 ARG 24 9.645 -8.848 1.506
208 HB3 ARG 24 HB1 ARG 24 10.323 -9.853 0.234
209 HG2 ARG 24 HG2 ARG 24 11.030 -11.491 1.924
210 HG3 ARG 24 HG1 ARG 24 10.297 -10.489 3.179
211 HD2 ARG 24 HD2 ARG 24 8.114 -10.743 2.104
212 HD3 ARG 24 HD1 ARG 24 8.847 -11.743 0.849
213 HE ARG 24 HE ARG 24 9.386 -12.811 3.416
214 HH11 ARG 24 HH11 ARG 24 6.781 -12.547 1.074
215 HH12 ARG 24 HH12 ARG 24 5.988 -13.985 1.625
216 HH21 ARG 24 HH22 ARG 24 8.329 -14.688 4.121
217 HH22 ARG 24 HH21 ARG 24 6.864 -15.195 3.348
218 H GLN 25 HN GLN 25 12.346 -8.125 -0.931
219 HA GLN 25 HA GLN 25 14.009 -10.424 -1.587
220 HB2 GLN 25 HB2 GLN 25 12.907 -8.140 -3.214
221 HB3 GLN 25 HB1 GLN 25 14.089 -9.264 -3.869
222 HG2 GLN 25 HG2 GLN 25 12.548 -11.121 -3.442
223 HG3 GLN 25 HG1 GLN 25 11.362 -9.983 -2.811
224 HE21 GLN 25 HE21 GLN 25 9.811 -10.434 -4.313
225 HE22 GLN 25 HE22 GLN 25 9.951 -10.018 -5.984
226 H GLN 26 HN GLN 26 14.321 -6.906 -1.268
227 HA GLN 26 HA GLN 26 17.242 -7.176 -1.508
228 HB2 GLN 26 HB2 GLN 26 15.407 -4.835 -1.999
229 HB3 GLN 26 HB1 GLN 26 17.142 -4.632 -1.805
230 HG2 GLN 26 HG2 GLN 26 17.523 -6.118 -3.714
231 HG3 GLN 26 HG1 GLN 26 15.780 -6.293 -3.914
232 HE21 GLN 26 HE21 GLN 26 18.508 -4.166 -4.239
233 HE22 GLN 26 HE22 GLN 26 17.723 -2.976 -5.214
234 HN1 NH2 27 H1 GLN 26 14.754 -5.450 0.338
235 HN2 NH2 27 H2 GLN 26 15.678 -5.295 1.790
236 HC1 3UQ 101 HC1 TRU 19 6.686 1.534 5.013
237 HC2 3UQ 101 HC2 TRU 19 8.307 3.641 5.551
238 HC3 3UQ 101 HC3 TRU 19 7.606 5.681 3.905
239 HC4 3UQ 101 HC4 TRU 19 4.993 2.270 3.030
240 HC5 3UQ 101 HC5 TRU 19 5.555 4.832 2.345
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