Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
525856 | 2l45 RC | 17229 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 -6.628 -11.042 4.028
2 H2 LYS 1 H2 LYS 1 -7.539 -11.337 5.358
3 H3 LYS 1 H3 LYS 1 -7.046 -12.571 4.392
4 HA LYS 1 HA LYS 1 -5.472 -11.030 6.312
5 HB2 LYS 1 HB2 LYS 1 -5.913 -13.990 5.811
6 HB3 LYS 1 HB3 LYS 1 -4.491 -13.411 6.641
7 HG2 LYS 1 HG2 LYS 1 -5.994 -13.983 8.320
8 HG3 LYS 1 HG3 LYS 1 -5.903 -12.227 8.306
9 HD2 LYS 1 HD2 LYS 1 -8.066 -12.070 7.187
10 HD3 LYS 1 HD3 LYS 1 -8.186 -13.836 7.051
11 HE2 LYS 1 HE2 LYS 1 -7.779 -12.428 9.714
12 HE3 LYS 1 HE3 LYS 1 -9.387 -12.574 9.021
13 HZ1 LYS 1 HZ1 LYS 1 -7.709 -14.967 9.446
14 HZ2 LYS 1 HZ2 LYS 1 -9.314 -14.880 9.152
15 HZ3 LYS 1 HZ3 LYS 1 -8.729 -14.358 10.598
16 H GLY 2 H GLY 2 -3.789 -10.016 5.670
17 HA2 GLY 2 HA2 GLY 2 -1.429 -10.896 4.711
18 HA3 GLY 2 HA3 GLY 2 -2.336 -10.714 3.205
19 H CYS 3 H CYS 3 -1.928 -8.836 2.259
20 HA CYS 3 HA CYS 3 -0.937 -6.406 3.358
21 HB2 CYS 3 HB2 CYS 3 -0.993 -7.270 0.909
22 HB3 CYS 3 HB3 CYS 3 -2.666 -6.765 0.926
23 H TRP 4 H TRP 4 -2.254 -4.433 2.777
24 HA TRP 4 HA TRP 4 -4.840 -4.319 4.309
25 HB2 TRP 4 HB2 TRP 4 -3.268 -2.842 5.278
26 HB3 TRP 4 HB3 TRP 4 -2.536 -2.482 3.755
27 HD1 TRP 4 HD1 TRP 4 -6.186 -1.860 5.021
28 HE1 TRP 4 HE1 TRP 4 -6.752 0.581 4.375
29 HE3 TRP 4 HE3 TRP 4 -1.651 -0.468 3.121
30 HZ2 TRP 4 HZ2 TRP 4 -5.497 2.663 2.949
31 HZ3 TRP 4 HZ3 TRP 4 -1.359 1.731 2.112
32 HH2 TRP 4 HH2 TRP 4 -3.278 3.326 1.931
33 H LYS 5 H LYS 5 -3.245 -3.055 1.353
34 HA LYS 5 HA LYS 5 -5.931 -2.490 0.169
35 HB2 LYS 5 HB2 LYS 5 -5.037 -0.700 -0.972
36 HB3 LYS 5 HB3 LYS 5 -4.276 -0.624 0.598
37 HG2 LYS 5 HG2 LYS 5 -2.452 -0.215 -0.708
38 HG3 LYS 5 HG3 LYS 5 -2.310 -1.953 -0.561
39 HD2 LYS 5 HD2 LYS 5 -1.872 -1.336 -2.848
40 HD3 LYS 5 HD3 LYS 5 -3.409 -2.158 -2.881
41 HE2 LYS 5 HE2 LYS 5 -3.531 0.769 -2.431
42 HE3 LYS 5 HE3 LYS 5 -2.827 0.326 -3.971
43 HZ1 LYS 5 HZ1 LYS 5 -4.775 -0.706 -4.645
44 HZ2 LYS 5 HZ2 LYS 5 -5.276 0.672 -3.933
45 HZ3 LYS 5 HZ3 LYS 5 -5.473 -0.739 -3.127
46 H CYS 6 H CYS 6 -3.146 -4.503 -0.335
47 HA CYS 6 HA CYS 6 -3.644 -4.804 -3.194
48 HB2 CYS 6 HB2 CYS 6 -1.657 -6.252 -1.419
49 HB3 CYS 6 HB3 CYS 6 -1.669 -6.189 -3.183
50 H GLY 7 H GLY 7 -3.530 -7.083 -0.520
51 HA2 GLY 7 HA2 GLY 7 -5.348 -8.535 0.002
52 HA3 GLY 7 HA3 GLY 7 -5.703 -8.727 -1.725
53 H LYS 8 H LYS 8 -2.550 -8.959 -0.119
54 HA LYS 8 HA LYS 8 -2.288 -11.864 -0.714
55 HB2 LYS 8 HB2 LYS 8 -0.128 -9.973 -1.615
56 HB3 LYS 8 HB3 LYS 8 -0.418 -11.625 -2.122
57 HG2 LYS 8 HG2 LYS 8 -2.342 -10.908 -3.480
58 HG3 LYS 8 HG3 LYS 8 -2.135 -9.227 -2.973
59 HD2 LYS 8 HD2 LYS 8 0.139 -10.694 -4.328
60 HD3 LYS 8 HD3 LYS 8 -1.198 -10.031 -5.256
61 HE2 LYS 8 HE2 LYS 8 0.706 -8.504 -5.226
62 HE3 LYS 8 HE3 LYS 8 -0.748 -7.779 -4.563
63 HZ1 LYS 8 HZ1 LYS 8 0.130 -8.089 -2.361
64 HZ2 LYS 8 HZ2 LYS 8 1.262 -7.287 -3.259
65 HZ3 LYS 8 HZ3 LYS 8 1.470 -8.874 -2.924
66 H GLU 9 H GLU 9 -0.624 -12.871 0.563
67 HA GLU 9 HA GLU 9 0.229 -11.487 2.970
68 HB2 GLU 9 HB2 GLU 9 0.786 -14.251 1.855
69 HB3 GLU 9 HB3 GLU 9 1.533 -13.654 3.332
70 HG2 GLU 9 HG2 GLU 9 -0.872 -13.129 4.139
71 HG3 GLU 9 HG3 GLU 9 -1.373 -14.255 2.868
72 H GLY 10 H GLY 10 1.260 -9.971 0.879
73 HA2 GLY 10 HA2 GLY 10 4.091 -10.566 0.405
74 HA3 GLY 10 HA3 GLY 10 3.218 -9.090 -0.024
75 H HIS 11 H HIS 11 2.262 -8.124 2.326
76 HA HIS 11 HA HIS 11 4.039 -8.187 4.552
77 HB2 HIS 11 HB2 HIS 11 4.795 -5.708 4.260
78 HB3 HIS 11 HB3 HIS 11 5.658 -6.941 3.372
79 HD1 HIS 11 HD1 HIS 11 6.232 -5.931 1.005
80 HD2 HIS 11 HD2 HIS 11 2.466 -4.790 2.532
81 HE1 HIS 11 HE1 HIS 11 5.121 -4.406 -0.722
82 H GLN 12 H GLN 12 3.645 -5.654 5.521
83 HA GLN 12 HA GLN 12 0.699 -5.144 5.830
84 HB2 GLN 12 HB2 GLN 12 3.076 -5.429 7.661
85 HB3 GLN 12 HB3 GLN 12 2.053 -4.075 7.947
86 HG2 GLN 12 HG2 GLN 12 0.091 -5.550 8.246
87 HG3 GLN 12 HG3 GLN 12 1.048 -6.950 7.749
88 HE21 GLN 12 HE21 GLN 12 0.839 -4.392 10.333
89 HE22 GLN 12 HE22 GLN 12 1.542 -5.429 11.542
90 H MET 13 H MET 13 0.355 -2.933 6.737
91 HA MET 13 HA MET 13 0.548 -1.281 4.499
92 HB2 MET 13 HB2 MET 13 0.155 -0.206 7.276
93 HB3 MET 13 HB3 MET 13 -0.461 0.380 5.703
94 HG2 MET 13 HG2 MET 13 -2.305 -0.740 5.951
95 HG3 MET 13 HG3 MET 13 -1.456 -2.199 6.024
96 HE1 MET 13 HE1 MET 13 -2.557 -3.741 7.758
97 HE2 MET 13 HE2 MET 13 -0.884 -3.510 8.310
98 HE3 MET 13 HE3 MET 13 -2.216 -3.480 9.471
99 H LYS 14 H LYS 14 2.738 -1.221 7.331
100 HA LYS 14 HA LYS 14 4.133 1.179 6.518
101 HB2 LYS 14 HB2 LYS 14 4.668 -1.117 8.367
102 HB3 LYS 14 HB3 LYS 14 5.921 0.059 8.086
103 HG2 LYS 14 HG2 LYS 14 4.731 1.808 9.114
104 HG3 LYS 14 HG3 LYS 14 3.167 1.053 8.871
105 HD2 LYS 14 HD2 LYS 14 4.849 -0.689 10.513
106 HD3 LYS 14 HD3 LYS 14 4.859 0.933 11.179
107 HE2 LYS 14 HE2 LYS 14 3.125 -0.599 12.135
108 HE3 LYS 14 HE3 LYS 14 2.498 0.935 11.529
109 HZ1 LYS 14 HZ1 LYS 14 1.590 -0.105 9.675
110 HZ2 LYS 14 HZ2 LYS 14 1.198 -1.075 10.918
111 HZ3 LYS 14 HZ3 LYS 14 2.427 -1.553 9.953
112 H ASP 15 H ASP 15 4.204 -1.968 5.242
113 HA ASP 15 HA ASP 15 6.764 -1.394 3.774
114 HB2 ASP 15 HB2 ASP 15 5.563 -3.771 4.992
115 HB3 ASP 15 HB3 ASP 15 6.145 -4.017 3.330
116 H CYS 16 H CYS 16 3.340 -1.821 3.417
117 HA CYS 16 HA CYS 16 3.418 -1.940 0.520
118 HB2 CYS 16 HB2 CYS 16 1.725 -3.116 2.005
119 HB3 CYS 16 HB3 CYS 16 1.056 -1.671 2.348
120 H THR 17 H THR 17 1.728 0.238 2.726
121 HA THR 17 HA THR 17 1.043 2.350 2.657
122 HB THR 17 HB THR 17 2.522 4.067 2.431
123 HG1 THR 17 HG1 THR 17 3.887 2.491 0.528
124 HG21 THR 17 HG21 THR 17 4.626 3.377 3.379
125 HG22 THR 17 HG22 THR 17 4.437 1.735 2.733
126 HG23 THR 17 HG23 THR 17 3.379 2.340 4.021
127 H GLU 18 H GLU 18 0.606 0.645 0.033
128 HA GLU 18 HA GLU 18 1.026 2.521 -1.997
129 HB2 GLU 18 HB2 GLU 18 -0.192 -0.234 -1.903
130 HB3 GLU 18 HB3 GLU 18 -0.067 0.609 -3.435
131 HG2 GLU 18 HG2 GLU 18 2.267 0.054 -1.640
132 HG3 GLU 18 HG3 GLU 18 1.742 -0.997 -2.948
133 H ARG 19 H ARG 19 -1.333 3.332 -0.201
134 HA ARG 19 HA ARG 19 -3.325 4.158 -0.226
135 HB2 ARG 19 HB2 ARG 19 -2.173 5.662 -1.889
136 HB3 ARG 19 HB3 ARG 19 -2.722 4.654 -3.205
137 HG2 ARG 19 HG2 ARG 19 -4.952 5.613 -1.570
138 HG3 ARG 19 HG3 ARG 19 -3.913 6.930 -2.125
139 HD2 ARG 19 HD2 ARG 19 -5.317 4.894 -3.892
140 HD3 ARG 19 HD3 ARG 19 -5.750 6.585 -3.665
141 HE ARG 19 HE ARG 19 -3.152 6.730 -4.590
142 HH11 ARG 19 HH11 ARG 19 -6.072 5.246 -5.934
143 HH12 ARG 19 HH12 ARG 19 -5.462 5.468 -7.556
144 HH21 ARG 19 HH21 ARG 19 -2.552 6.955 -6.705
145 HH22 ARG 19 HH22 ARG 19 -3.599 6.312 -7.953
146 H5' DT 20 H5' DT 20 10.159 0.206 1.697
147 H5'' DT 20 H5'' DT 20 8.552 0.873 1.943
148 H4' DT 20 H4' DT 20 10.379 2.569 1.926
149 H3' DT 20 H3' DT 20 7.825 2.786 0.742
150 H2' DT 20 H2' DT 20 8.696 2.676 -1.459
151 H2'' DT 20 H2'' DT 20 8.742 4.455 -1.192
152 H1' DT 20 H1' DT 20 11.025 4.304 -0.368
153 H3 DT 20 H3 DT 20 12.343 5.215 -4.608
154 H71 DT 20 H71 DT 20 12.954 0.439 -5.054
155 H72 DT 20 H72 DT 20 11.310 0.586 -5.682
156 H73 DT 20 H73 DT 20 11.595 -0.180 -4.097
157 H6 DT 20 H6 DT 20 10.988 1.182 -2.325
158 HO5' DT 20 HO5' DT 20 8.303 -0.517 0.259
159 H5' DA 21 H5' DA 21 8.269 6.872 -0.483
160 H5'' DA 21 H5'' DA 21 7.185 7.765 0.594
161 H4' DA 21 H4' DA 21 6.470 8.338 -1.521
162 H3' DA 21 H3' DA 21 4.671 6.279 -0.283
163 H2' DA 21 H2' DA 21 3.407 6.026 -2.194
164 H2'' DA 21 H2'' DA 21 3.937 7.513 -2.901
165 H1' DA 21 H1' DA 21 5.399 6.149 -4.094
166 H8 DA 21 H8 DA 21 3.827 4.180 -1.477
167 H61 DA 21 H61 DA 21 7.732 -0.459 -3.150
168 H62 DA 21 H62 DA 21 6.350 -0.142 -2.082
169 H2 DA 21 H2 DA 21 8.955 3.050 -5.194
170 H5' DC 22 H5' DC 22 1.637 9.931 -0.034
171 H5'' DC 22 H5'' DC 22 1.925 10.373 1.642
172 H4' DC 22 H4' DC 22 -0.232 10.308 1.884
173 H3' DC 22 H3' DC 22 0.522 7.808 2.768
174 H2' DC 22 H2' DC 22 -0.067 6.357 1.120
175 H2'' DC 22 H2'' DC 22 -1.741 6.755 1.477
176 H1' DC 22 H1' DC 22 -2.019 7.902 -0.448
177 H41 DC 22 H41 DC 22 1.642 7.176 -5.568
178 H42 DC 22 H42 DC 22 2.051 5.576 -4.936
179 H5 DC 22 H5 DC 22 1.237 4.845 -2.787
180 H6 DC 22 H6 DC 22 0.164 5.567 -0.743
181 H5' DG 23 H5' DG 23 -3.040 7.060 3.951
182 H5'' DG 23 H5'' DG 23 -3.442 6.766 5.609
183 H4' DG 23 H4' DG 23 -3.061 4.815 3.798
184 H3' DG 23 H3' DG 23 -2.532 4.797 6.715
185 H2' DG 23 H2' DG 23 -1.225 3.001 6.712
186 H2'' DG 23 H2'' DG 23 -2.060 2.129 5.425
187 H1' DG 23 H1' DG 23 -0.628 2.997 3.836
188 H8 DG 23 H8 DG 23 0.858 1.817 6.339
189 H1 DG 23 H1 DG 23 4.696 6.835 5.170
190 H21 DG 23 H21 DG 23 3.493 8.480 4.373
191 H22 DG 23 H22 DG 23 1.729 8.349 4.295
192 H5' DC 24 H5' DC 24 -7.053 6.823 4.649
193 H5'' DC 24 H5'' DC 24 -7.429 5.139 4.374
194 H4' DC 24 H4' DC 24 -7.669 5.840 2.288
195 H3' DC 24 H3' DC 24 -5.129 4.561 2.651
196 H2' DC 24 H2' DC 24 -4.011 6.614 2.243
197 H2'' DC 24 H2'' DC 24 -4.016 5.872 0.612
198 H1' DC 24 H1' DC 24 -6.115 6.737 0.167
199 H41 DC 24 H41 DC 24 -2.627 12.323 -0.202
200 H42 DC 24 H42 DC 24 -3.237 12.074 -1.850
201 H5 DC 24 H5 DC 24 -4.652 10.190 -2.399
202 H6 DC 24 H6 DC 24 -5.727 8.219 -1.511
203 H5' DC 25 H5' DC 25 -10.155 3.678 -0.698
204 H5'' DC 25 H5'' DC 25 -8.663 3.436 -1.602
205 H4' DC 25 H4' DC 25 -10.155 4.898 -2.787
206 H3' DC 25 H3' DC 25 -7.400 5.526 -2.201
207 HO3' DC 25 HO3' DC 25 -7.862 6.830 -4.291
208 H2' DC 25 H2' DC 25 -7.907 7.428 -0.994
209 H2'' DC 25 H2'' DC 25 -8.041 8.177 -2.614
210 H1' DC 25 H1' DC 25 -10.372 7.703 -2.759
211 H41 DC 25 H41 DC 25 -12.612 12.016 1.130
212 H42 DC 25 H42 DC 25 -11.368 11.742 2.353
213 H5 DC 25 H5 DC 25 -9.615 10.154 2.019
214 H6 DC 25 H6 DC 25 -8.898 8.285 0.667
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 -5.527 -10.183 6.503
2 H2 LYS 1 H2 LYS 1 -7.058 -10.753 6.554
3 H3 LYS 1 H3 LYS 1 -6.651 -9.555 5.498
4 HA LYS 1 HA LYS 1 -5.815 -12.371 5.392
5 HB2 LYS 1 HB2 LYS 1 -7.346 -10.720 3.359
6 HB3 LYS 1 HB3 LYS 1 -6.976 -12.427 3.220
7 HG2 LYS 1 HG2 LYS 1 -8.638 -11.502 5.559
8 HG3 LYS 1 HG3 LYS 1 -9.352 -11.498 3.956
9 HD2 LYS 1 HD2 LYS 1 -8.950 -13.890 3.700
10 HD3 LYS 1 HD3 LYS 1 -8.201 -13.981 5.302
11 HE2 LYS 1 HE2 LYS 1 -11.028 -12.925 4.830
12 HE3 LYS 1 HE3 LYS 1 -10.691 -14.637 5.116
13 HZ1 LYS 1 HZ1 LYS 1 -11.309 -13.337 7.125
14 HZ2 LYS 1 HZ2 LYS 1 -9.914 -12.517 7.028
15 HZ3 LYS 1 HZ3 LYS 1 -9.893 -14.171 7.257
16 H GLY 2 H GLY 2 -3.754 -10.402 5.784
17 HA2 GLY 2 HA2 GLY 2 -1.595 -10.827 4.779
18 HA3 GLY 2 HA3 GLY 2 -2.337 -10.749 3.186
19 H CYS 3 H CYS 3 -1.889 -8.913 2.073
20 HA CYS 3 HA CYS 3 -0.787 -6.527 3.264
21 HB2 CYS 3 HB2 CYS 3 -1.004 -7.450 0.685
22 HB3 CYS 3 HB3 CYS 3 -2.291 -6.257 0.742
23 H TRP 4 H TRP 4 -1.836 -4.495 3.298
24 HA TRP 4 HA TRP 4 -4.473 -4.513 4.582
25 HB2 TRP 4 HB2 TRP 4 -2.899 -3.040 5.490
26 HB3 TRP 4 HB3 TRP 4 -2.263 -2.586 3.948
27 HD1 TRP 4 HD1 TRP 4 -5.744 -2.077 5.648
28 HE1 TRP 4 HE1 TRP 4 -6.423 0.362 5.235
29 HE3 TRP 4 HE3 TRP 4 -1.600 -0.582 3.094
30 HZ2 TRP 4 HZ2 TRP 4 -5.403 2.543 3.776
31 HZ3 TRP 4 HZ3 TRP 4 -1.486 1.632 2.137
32 HH2 TRP 4 HH2 TRP 4 -3.391 3.244 2.349
33 H LYS 5 H LYS 5 -3.190 -3.387 1.469
34 HA LYS 5 HA LYS 5 -5.987 -2.830 0.538
35 HB2 LYS 5 HB2 LYS 5 -5.307 -0.965 -0.621
36 HB3 LYS 5 HB3 LYS 5 -4.341 -0.893 0.841
37 HG2 LYS 5 HG2 LYS 5 -2.735 -0.348 -0.660
38 HG3 LYS 5 HG3 LYS 5 -2.498 -2.073 -0.575
39 HD2 LYS 5 HD2 LYS 5 -2.361 -1.454 -2.863
40 HD3 LYS 5 HD3 LYS 5 -3.904 -2.268 -2.742
41 HE2 LYS 5 HE2 LYS 5 -3.811 0.738 -2.369
42 HE3 LYS 5 HE3 LYS 5 -3.507 0.120 -3.963
43 HZ1 LYS 5 HZ1 LYS 5 -5.629 -0.144 -4.278
44 HZ2 LYS 5 HZ2 LYS 5 -5.978 0.496 -2.806
45 HZ3 LYS 5 HZ3 LYS 5 -5.865 -1.133 -3.007
46 H CYS 6 H CYS 6 -2.908 -4.299 -0.399
47 HA CYS 6 HA CYS 6 -3.688 -4.881 -3.028
48 HB2 CYS 6 HB2 CYS 6 -1.539 -6.336 -1.458
49 HB3 CYS 6 HB3 CYS 6 -1.616 -5.946 -3.180
50 H GLY 7 H GLY 7 -3.548 -6.986 -0.166
51 HA2 GLY 7 HA2 GLY 7 -4.945 -8.761 0.411
52 HA3 GLY 7 HA3 GLY 7 -5.585 -8.772 -1.237
53 H LYS 8 H LYS 8 -2.167 -9.049 -0.262
54 HA LYS 8 HA LYS 8 -2.076 -11.735 -1.573
55 HB2 LYS 8 HB2 LYS 8 -0.044 -9.561 -1.974
56 HB3 LYS 8 HB3 LYS 8 -0.178 -11.082 -2.848
57 HG2 LYS 8 HG2 LYS 8 -2.336 -10.368 -3.820
58 HG3 LYS 8 HG3 LYS 8 -2.176 -8.776 -3.061
59 HD2 LYS 8 HD2 LYS 8 0.001 -9.859 -4.862
60 HD3 LYS 8 HD3 LYS 8 -1.459 -9.134 -5.531
61 HE2 LYS 8 HE2 LYS 8 0.442 -7.569 -5.430
62 HE3 LYS 8 HE3 LYS 8 -0.995 -7.006 -4.587
63 HZ1 LYS 8 HZ1 LYS 8 1.129 -6.698 -3.298
64 HZ2 LYS 8 HZ2 LYS 8 1.350 -8.297 -3.279
65 HZ3 LYS 8 HZ3 LYS 8 0.083 -7.662 -2.485
66 H GLU 9 H GLU 9 -1.625 -10.809 1.345
67 HA GLU 9 HA GLU 9 -0.155 -11.253 3.116
68 HB2 GLU 9 HB2 GLU 9 -0.043 -13.788 1.475
69 HB3 GLU 9 HB3 GLU 9 0.445 -13.649 3.164
70 HG2 GLU 9 HG2 GLU 9 -1.789 -13.146 3.884
71 HG3 GLU 9 HG3 GLU 9 -2.348 -12.862 2.239
72 H GLY 10 H GLY 10 1.236 -9.741 1.039
73 HA2 GLY 10 HA2 GLY 10 3.932 -10.849 0.842
74 HA3 GLY 10 HA3 GLY 10 3.329 -9.337 0.160
75 H HIS 11 H HIS 11 2.307 -8.116 2.499
76 HA HIS 11 HA HIS 11 4.206 -8.076 4.654
77 HB2 HIS 11 HB2 HIS 11 4.928 -5.647 4.193
78 HB3 HIS 11 HB3 HIS 11 5.688 -6.884 3.213
79 HD1 HIS 11 HD1 HIS 11 5.947 -5.876 0.806
80 HD2 HIS 11 HD2 HIS 11 2.362 -4.795 2.745
81 HE1 HIS 11 HE1 HIS 11 4.544 -4.513 -0.842
82 H GLN 12 H GLN 12 3.852 -5.591 5.634
83 HA GLN 12 HA GLN 12 0.917 -5.087 6.018
84 HB2 GLN 12 HB2 GLN 12 3.127 -5.701 7.835
85 HB3 GLN 12 HB3 GLN 12 2.599 -4.063 8.063
86 HG2 GLN 12 HG2 GLN 12 0.288 -4.864 8.521
87 HG3 GLN 12 HG3 GLN 12 0.757 -6.501 8.047
88 HE21 GLN 12 HE21 GLN 12 1.210 -4.003 10.642
89 HE22 GLN 12 HE22 GLN 12 1.922 -5.168 11.740
90 H MET 13 H MET 13 0.652 -2.853 6.993
91 HA MET 13 HA MET 13 0.642 -1.286 4.700
92 HB2 MET 13 HB2 MET 13 0.354 -0.003 7.401
93 HB3 MET 13 HB3 MET 13 -0.509 0.267 5.863
94 HG2 MET 13 HG2 MET 13 -2.108 -0.865 7.075
95 HG3 MET 13 HG3 MET 13 -1.316 -2.120 6.192
96 HE1 MET 13 HE1 MET 13 -2.526 -3.860 7.771
97 HE2 MET 13 HE2 MET 13 -2.461 -3.821 9.524
98 HE3 MET 13 HE3 MET 13 -3.275 -2.538 8.640
99 H LYS 14 H LYS 14 2.973 -1.137 7.326
100 HA LYS 14 HA LYS 14 4.298 1.309 6.549
101 HB2 LYS 14 HB2 LYS 14 4.924 -1.058 8.285
102 HB3 LYS 14 HB3 LYS 14 6.177 0.110 7.955
103 HG2 LYS 14 HG2 LYS 14 5.094 1.833 9.117
104 HG3 LYS 14 HG3 LYS 14 3.494 1.154 8.905
105 HD2 LYS 14 HD2 LYS 14 5.205 -0.645 10.499
106 HD3 LYS 14 HD3 LYS 14 5.164 0.964 11.184
107 HE2 LYS 14 HE2 LYS 14 3.448 -0.575 12.123
108 HE3 LYS 14 HE3 LYS 14 2.785 0.931 11.470
109 HZ1 LYS 14 HZ1 LYS 14 1.589 -1.199 10.870
110 HZ2 LYS 14 HZ2 LYS 14 2.861 -1.561 9.901
111 HZ3 LYS 14 HZ3 LYS 14 1.922 -0.170 9.647
112 H ASP 15 H ASP 15 4.424 -1.922 5.297
113 HA ASP 15 HA ASP 15 6.845 -1.312 3.670
114 HB2 ASP 15 HB2 ASP 15 5.640 -3.681 4.900
115 HB3 ASP 15 HB3 ASP 15 6.100 -3.912 3.204
116 H CYS 16 H CYS 16 3.379 -1.793 3.427
117 HA CYS 16 HA CYS 16 3.248 -2.037 0.562
118 HB2 CYS 16 HB2 CYS 16 1.599 -3.097 2.076
119 HB3 CYS 16 HB3 CYS 16 1.185 -1.635 2.728
120 H THR 17 H THR 17 1.772 0.317 2.710
121 HA THR 17 HA THR 17 0.748 2.282 2.221
122 HB THR 17 HB THR 17 2.616 2.976 3.367
123 HG1 THR 17 HG1 THR 17 1.995 4.893 2.912
124 HG21 THR 17 HG21 THR 17 4.191 2.852 0.821
125 HG22 THR 17 HG22 THR 17 4.524 2.085 2.380
126 HG23 THR 17 HG23 THR 17 4.701 3.837 2.219
127 H GLU 18 H GLU 18 0.299 0.628 0.032
128 HA GLU 18 HA GLU 18 0.683 2.354 -2.336
129 HB2 GLU 18 HB2 GLU 18 -0.430 -0.439 -2.020
130 HB3 GLU 18 HB3 GLU 18 -0.269 0.393 -3.559
131 HG2 GLU 18 HG2 GLU 18 1.984 -0.307 -1.716
132 HG3 GLU 18 HG3 GLU 18 1.557 -1.175 -3.182
133 H ARG 19 H ARG 19 -1.427 3.201 -0.334
134 HA ARG 19 HA ARG 19 -3.327 4.108 -0.155
135 HB2 ARG 19 HB2 ARG 19 -3.625 3.871 -3.186
136 HB3 ARG 19 HB3 ARG 19 -4.597 4.882 -2.147
137 HG2 ARG 19 HG2 ARG 19 -2.977 6.527 -1.976
138 HG3 ARG 19 HG3 ARG 19 -1.651 5.427 -2.460
139 HD2 ARG 19 HD2 ARG 19 -2.286 5.401 -4.704
140 HD3 ARG 19 HD3 ARG 19 -3.929 5.962 -4.370
141 HE ARG 19 HE ARG 19 -2.273 8.081 -3.601
142 HH11 ARG 19 HH11 ARG 19 -2.653 6.339 -6.657
143 HH12 ARG 19 HH12 ARG 19 -2.446 7.843 -7.557
144 HH21 ARG 19 HH21 ARG 19 -2.121 9.902 -4.907
145 HH22 ARG 19 HH22 ARG 19 -2.228 9.674 -6.651
146 H5' DT 20 H5' DT 20 8.833 8.848 5.230
147 H5'' DT 20 H5'' DT 20 8.115 9.009 3.622
148 H4' DT 20 H4' DT 20 10.178 7.685 3.560
149 H3' DT 20 H3' DT 20 7.631 6.729 2.557
150 H2' DT 20 H2' DT 20 7.734 4.759 3.731
151 H2'' DT 20 H2'' DT 20 8.882 4.275 2.460
152 H1' DT 20 H1' DT 20 10.775 5.012 3.843
153 H3 DT 20 H3 DT 20 10.280 3.069 8.446
154 H71 DT 20 H71 DT 20 8.634 -0.445 5.684
155 H72 DT 20 H72 DT 20 10.307 -0.482 5.124
156 H73 DT 20 H73 DT 20 9.020 0.126 4.050
157 H6 DT 20 H6 DT 20 9.346 2.393 3.767
158 HO5' DT 20 HO5' DT 20 6.547 8.549 5.245
159 H5' DA 21 H5' DA 21 7.839 8.895 -0.396
160 H5'' DA 21 H5'' DA 21 7.247 8.609 1.241
161 H4' DA 21 H4' DA 21 5.578 9.700 -0.204
162 H3' DA 21 H3' DA 21 5.117 7.072 1.055
163 H2' DA 21 H2' DA 21 3.215 6.452 -0.165
164 H2'' DA 21 H2'' DA 21 2.949 8.055 -0.785
165 H1' DA 21 H1' DA 21 4.054 7.234 -2.649
166 H8 DA 21 H8 DA 21 4.414 4.836 -0.089
167 H61 DA 21 H61 DA 21 8.970 2.053 -3.414
168 H62 DA 21 H62 DA 21 7.892 1.812 -2.053
169 H2 DA 21 H2 DA 21 8.291 5.985 -5.093
170 H5' DC 22 H5' DC 22 0.247 10.285 -0.128
171 H5'' DC 22 H5'' DC 22 0.543 10.975 1.470
172 H4' DC 22 H4' DC 22 -1.479 10.251 1.907
173 H3' DC 22 H3' DC 22 0.331 8.334 2.878
174 H2' DC 22 H2' DC 22 -0.237 6.332 1.844
175 H2'' DC 22 H2'' DC 22 -1.925 6.598 2.235
176 H1' DC 22 H1' DC 22 -2.313 6.954 0.043
177 H41 DC 22 H41 DC 22 1.852 7.365 -4.766
178 H42 DC 22 H42 DC 22 2.495 5.874 -4.027
179 H5 DC 22 H5 DC 22 1.831 5.114 -1.952
180 H6 DC 22 H6 DC 22 0.468 5.531 0.025
181 H5' DG 23 H5' DG 23 -3.064 6.878 4.240
182 H5'' DG 23 H5'' DG 23 -3.369 6.537 5.932
183 H4' DG 23 H4' DG 23 -3.180 4.628 4.080
184 H3' DG 23 H3' DG 23 -2.407 4.589 6.951
185 H2' DG 23 H2' DG 23 -1.081 2.779 6.800
186 H2'' DG 23 H2'' DG 23 -1.987 1.999 5.516
187 H1' DG 23 H1' DG 23 -0.589 2.843 3.924
188 H8 DG 23 H8 DG 23 0.964 1.825 6.428
189 H1 DG 23 H1 DG 23 4.664 6.856 4.976
190 H21 DG 23 H21 DG 23 3.386 8.404 3.877
191 H22 DG 23 H22 DG 23 1.652 8.168 3.948
192 H5' DC 24 H5' DC 24 -7.016 6.638 5.044
193 H5'' DC 24 H5'' DC 24 -7.472 4.951 4.864
194 H4' DC 24 H4' DC 24 -7.839 5.557 2.762
195 H3' DC 24 H3' DC 24 -5.281 4.291 3.002
196 H2' DC 24 H2' DC 24 -4.178 6.330 2.498
197 H2'' DC 24 H2'' DC 24 -4.257 5.517 0.892
198 H1' DC 24 H1' DC 24 -6.372 6.341 0.508
199 H41 DC 24 H41 DC 24 -4.132 12.433 -0.296
200 H42 DC 24 H42 DC 24 -4.701 11.913 -1.888
201 H5 DC 24 H5 DC 24 -5.324 9.648 -2.344
202 H6 DC 24 H6 DC 24 -5.841 7.506 -1.328
203 H5' DC 25 H5' DC 25 -10.611 3.322 0.258
204 H5'' DC 25 H5'' DC 25 -9.209 3.100 -0.793
205 H4' DC 25 H4' DC 25 -10.737 4.679 -1.792
206 H3' DC 25 H3' DC 25 -7.940 5.241 -1.252
207 HO3' DC 25 HO3' DC 25 -8.053 6.041 -3.322
208 H2' DC 25 H2' DC 25 -8.398 7.225 -0.083
209 H2'' DC 25 H2'' DC 25 -8.639 7.895 -1.725
210 H1' DC 25 H1' DC 25 -10.989 7.404 -1.677
211 H41 DC 25 H41 DC 25 -11.648 12.436 2.012
212 H42 DC 25 H42 DC 25 -11.615 11.468 3.490
213 H5 DC 25 H5 DC 25 -11.257 9.082 3.434
214 H6 DC 25 H6 DC 25 -10.779 7.171 1.961
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 -7.065 -11.747 3.683
2 H2 LYS 1 H2 LYS 1 -7.829 -12.061 5.070
3 H3 LYS 1 H3 LYS 1 -6.839 -13.203 4.420
4 HA LYS 1 HA LYS 1 -6.130 -10.639 5.660
5 HB2 LYS 1 HB2 LYS 1 -5.100 -13.432 6.334
6 HB3 LYS 1 HB3 LYS 1 -4.740 -11.928 7.187
7 HG2 LYS 1 HG2 LYS 1 -7.285 -11.712 7.539
8 HG3 LYS 1 HG3 LYS 1 -7.393 -13.402 7.047
9 HD2 LYS 1 HD2 LYS 1 -5.831 -12.299 9.428
10 HD3 LYS 1 HD3 LYS 1 -7.423 -13.028 9.477
11 HE2 LYS 1 HE2 LYS 1 -6.087 -14.705 10.247
12 HE3 LYS 1 HE3 LYS 1 -6.378 -15.193 8.579
13 HZ1 LYS 1 HZ1 LYS 1 -3.968 -15.177 9.626
14 HZ2 LYS 1 HZ2 LYS 1 -3.972 -13.603 9.252
15 HZ3 LYS 1 HZ3 LYS 1 -4.124 -14.716 8.057
16 H GLY 2 H GLY 2 -3.750 -10.230 5.839
17 HA2 GLY 2 HA2 GLY 2 -1.540 -10.958 4.746
18 HA3 GLY 2 HA3 GLY 2 -2.378 -10.744 3.215
19 H CYS 3 H CYS 3 -2.419 -8.796 2.336
20 HA CYS 3 HA CYS 3 -1.039 -6.481 3.450
21 HB2 CYS 3 HB2 CYS 3 -1.011 -7.210 1.002
22 HB3 CYS 3 HB3 CYS 3 -2.697 -6.812 0.952
23 H TRP 4 H TRP 4 -2.320 -4.458 2.871
24 HA TRP 4 HA TRP 4 -4.926 -4.268 4.364
25 HB2 TRP 4 HB2 TRP 4 -3.432 -2.793 5.397
26 HB3 TRP 4 HB3 TRP 4 -2.500 -2.614 3.951
27 HD1 TRP 4 HD1 TRP 4 -6.163 -1.440 4.673
28 HE1 TRP 4 HE1 TRP 4 -6.256 0.998 3.861
29 HE3 TRP 4 HE3 TRP 4 -1.307 -0.884 3.271
30 HZ2 TRP 4 HZ2 TRP 4 -4.394 2.967 2.808
31 HZ3 TRP 4 HZ3 TRP 4 -0.527 1.153 2.289
32 HH2 TRP 4 HH2 TRP 4 -2.033 3.161 2.031
33 H LYS 5 H LYS 5 -3.233 -3.321 1.340
34 HA LYS 5 HA LYS 5 -5.894 -2.603 0.167
35 HB2 LYS 5 HB2 LYS 5 -5.111 -0.714 -0.747
36 HB3 LYS 5 HB3 LYS 5 -4.207 -0.756 0.729
37 HG2 LYS 5 HG2 LYS 5 -2.644 -0.069 -0.797
38 HG3 LYS 5 HG3 LYS 5 -2.278 -1.769 -0.642
39 HD2 LYS 5 HD2 LYS 5 -2.067 -1.060 -2.939
40 HD3 LYS 5 HD3 LYS 5 -3.352 -2.205 -2.856
41 HE2 LYS 5 HE2 LYS 5 -3.820 0.825 -2.915
42 HE3 LYS 5 HE3 LYS 5 -3.587 -0.149 -4.354
43 HZ1 LYS 5 HZ1 LYS 5 -5.484 -1.602 -3.338
44 HZ2 LYS 5 HZ2 LYS 5 -5.858 -0.252 -4.187
45 HZ3 LYS 5 HZ3 LYS 5 -5.878 -0.200 -2.554
46 H CYS 6 H CYS 6 -2.987 -4.433 -0.415
47 HA CYS 6 HA CYS 6 -3.414 -4.704 -3.249
48 HB2 CYS 6 HB2 CYS 6 -1.522 -6.248 -1.450
49 HB3 CYS 6 HB3 CYS 6 -1.451 -6.081 -3.216
50 H GLY 7 H GLY 7 -3.585 -6.900 -0.536
51 HA2 GLY 7 HA2 GLY 7 -5.357 -8.357 -0.117
52 HA3 GLY 7 HA3 GLY 7 -5.613 -8.615 -1.858
53 H LYS 8 H LYS 8 -2.505 -8.850 -0.169
54 HA LYS 8 HA LYS 8 -2.308 -11.783 -0.697
55 HB2 LYS 8 HB2 LYS 8 -0.194 -9.836 -1.593
56 HB3 LYS 8 HB3 LYS 8 -0.425 -11.514 -2.090
57 HG2 LYS 8 HG2 LYS 8 -2.411 -10.844 -3.392
58 HG3 LYS 8 HG3 LYS 8 -2.180 -9.148 -2.953
59 HD2 LYS 8 HD2 LYS 8 0.017 -10.682 -4.357
60 HD3 LYS 8 HD3 LYS 8 -1.348 -9.999 -5.231
61 HE2 LYS 8 HE2 LYS 8 0.576 -8.524 -5.319
62 HE3 LYS 8 HE3 LYS 8 -0.815 -7.750 -4.577
63 HZ1 LYS 8 HZ1 LYS 8 1.313 -7.330 -3.423
64 HZ2 LYS 8 HZ2 LYS 8 1.439 -8.933 -3.057
65 HZ3 LYS 8 HZ3 LYS 8 0.200 -8.048 -2.440
66 H GLU 9 H GLU 9 -0.598 -12.816 0.555
67 HA GLU 9 HA GLU 9 0.304 -11.337 2.927
68 HB2 GLU 9 HB2 GLU 9 0.879 -14.178 2.050
69 HB3 GLU 9 HB3 GLU 9 1.416 -13.435 3.560
70 HG2 GLU 9 HG2 GLU 9 -1.046 -12.969 4.068
71 HG3 GLU 9 HG3 GLU 9 -1.419 -14.094 2.751
72 H GLY 10 H GLY 10 1.334 -9.880 0.966
73 HA2 GLY 10 HA2 GLY 10 4.170 -10.564 0.507
74 HA3 GLY 10 HA3 GLY 10 3.345 -9.073 0.050
75 H HIS 11 H HIS 11 2.319 -8.066 2.356
76 HA HIS 11 HA HIS 11 4.056 -8.050 4.629
77 HB2 HIS 11 HB2 HIS 11 4.851 -5.627 4.235
78 HB3 HIS 11 HB3 HIS 11 5.716 -6.884 3.367
79 HD1 HIS 11 HD1 HIS 11 6.322 -5.700 1.074
80 HD2 HIS 11 HD2 HIS 11 2.508 -4.794 2.529
81 HE1 HIS 11 HE1 HIS 11 5.117 -4.332 -0.734
82 H GLN 12 H GLN 12 3.699 -5.663 5.639
83 HA GLN 12 HA GLN 12 0.752 -5.080 5.832
84 HB2 GLN 12 HB2 GLN 12 3.009 -5.463 7.701
85 HB3 GLN 12 HB3 GLN 12 2.202 -3.957 7.930
86 HG2 GLN 12 HG2 GLN 12 0.104 -5.083 8.445
87 HG3 GLN 12 HG3 GLN 12 0.730 -6.621 7.822
88 HE21 GLN 12 HE21 GLN 12 0.897 -4.359 10.631
89 HE22 GLN 12 HE22 GLN 12 1.878 -5.446 11.597
90 H MET 13 H MET 13 0.437 -2.854 6.690
91 HA MET 13 HA MET 13 0.680 -1.189 4.475
92 HB2 MET 13 HB2 MET 13 0.169 -0.046 7.197
93 HB3 MET 13 HB3 MET 13 -0.528 0.337 5.614
94 HG2 MET 13 HG2 MET 13 -2.267 -0.814 6.635
95 HG3 MET 13 HG3 MET 13 -1.461 -2.056 5.723
96 HE1 MET 13 HE1 MET 13 -2.801 -3.946 7.229
97 HE2 MET 13 HE2 MET 13 -2.897 -3.811 8.984
98 HE3 MET 13 HE3 MET 13 -3.600 -2.544 7.975
99 H LYS 14 H LYS 14 2.838 -1.281 7.267
100 HA LYS 14 HA LYS 14 4.283 1.147 6.665
101 HB2 LYS 14 HB2 LYS 14 4.827 -1.339 8.263
102 HB3 LYS 14 HB3 LYS 14 6.100 -0.169 8.040
103 HG2 LYS 14 HG2 LYS 14 5.134 1.417 9.376
104 HG3 LYS 14 HG3 LYS 14 3.496 0.959 8.989
105 HD2 LYS 14 HD2 LYS 14 4.941 -1.133 10.526
106 HD3 LYS 14 HD3 LYS 14 4.871 0.404 11.351
107 HE2 LYS 14 HE2 LYS 14 3.045 -1.089 12.018
108 HE3 LYS 14 HE3 LYS 14 2.449 0.425 11.326
109 HZ1 LYS 14 HZ1 LYS 14 1.351 -1.693 10.555
110 HZ2 LYS 14 HZ2 LYS 14 2.730 -2.024 9.713
111 HZ3 LYS 14 HZ3 LYS 14 1.813 -0.625 9.407
112 H ASP 15 H ASP 15 4.369 -2.043 5.226
113 HA ASP 15 HA ASP 15 6.849 -1.331 3.722
114 HB2 ASP 15 HB2 ASP 15 5.797 -3.806 4.813
115 HB3 ASP 15 HB3 ASP 15 6.307 -3.925 3.123
116 H CYS 16 H CYS 16 3.433 -1.995 3.371
117 HA CYS 16 HA CYS 16 3.435 -1.968 0.493
118 HB2 CYS 16 HB2 CYS 16 1.792 -3.116 2.065
119 HB3 CYS 16 HB3 CYS 16 1.149 -1.644 2.433
120 H THR 17 H THR 17 1.960 0.348 2.772
121 HA THR 17 HA THR 17 1.201 2.432 2.575
122 HB THR 17 HB THR 17 2.552 4.188 2.015
123 HG1 THR 17 HG1 THR 17 4.272 4.156 0.771
124 HG21 THR 17 HG21 THR 17 4.687 3.697 2.985
125 HG22 THR 17 HG22 THR 17 4.538 1.973 2.571
126 HG23 THR 17 HG23 THR 17 3.472 2.689 3.798
127 H GLU 18 H GLU 18 0.773 0.517 -0.057
128 HA GLU 18 HA GLU 18 0.745 2.523 -2.032
129 HB2 GLU 18 HB2 GLU 18 -0.141 -0.369 -2.207
130 HB3 GLU 18 HB3 GLU 18 0.150 0.674 -3.599
131 HG2 GLU 18 HG2 GLU 18 2.212 -0.218 -1.623
132 HG3 GLU 18 HG3 GLU 18 1.898 -0.946 -3.172
133 H ARG 19 H ARG 19 -1.413 2.979 -0.188
134 HA ARG 19 HA ARG 19 -3.421 3.774 0.074
135 HB2 ARG 19 HB2 ARG 19 -4.343 5.019 -1.612
136 HB3 ARG 19 HB3 ARG 19 -2.619 4.916 -1.873
137 HG2 ARG 19 HG2 ARG 19 -2.636 3.907 -3.835
138 HG3 ARG 19 HG3 ARG 19 -4.238 3.225 -3.664
139 HD2 ARG 19 HD2 ARG 19 -4.519 6.075 -3.669
140 HD3 ARG 19 HD3 ARG 19 -3.323 5.684 -4.904
141 HE ARG 19 HE ARG 19 -6.114 5.356 -5.140
142 HH11 ARG 19 HH11 ARG 19 -3.249 3.458 -6.042
143 HH12 ARG 19 HH12 ARG 19 -4.179 2.516 -7.167
144 HH21 ARG 19 HH21 ARG 19 -7.104 4.284 -6.617
145 HH22 ARG 19 HH22 ARG 19 -6.304 3.072 -7.609
146 H5' DT 20 H5' DT 20 8.606 9.912 4.847
147 H5'' DT 20 H5'' DT 20 6.872 9.629 4.754
148 H4' DT 20 H4' DT 20 7.382 11.198 3.080
149 H3' DT 20 H3' DT 20 6.335 8.662 2.246
150 H2' DT 20 H2' DT 20 8.248 8.230 0.917
151 H2'' DT 20 H2'' DT 20 7.299 9.206 -0.255
152 H1' DT 20 H1' DT 20 8.344 11.245 0.555
153 H3 DT 20 H3 DT 20 11.362 10.900 -2.824
154 H71 DT 20 H71 DT 20 14.371 9.213 0.467
155 H72 DT 20 H72 DT 20 13.698 7.667 -0.037
156 H73 DT 20 H73 DT 20 13.302 8.324 1.563
157 H6 DT 20 H6 DT 20 11.085 9.029 1.615
158 HO5' DT 20 HO5' DT 20 7.802 7.654 5.008
159 H5' DA 21 H5' DA 21 5.601 10.224 -1.285
160 H5'' DA 21 H5'' DA 21 3.917 10.691 -1.359
161 H4' DA 21 H4' DA 21 4.227 9.581 -3.338
162 H3' DA 21 H3' DA 21 2.781 8.006 -1.308
163 H2' DA 21 H2' DA 21 3.157 5.868 -2.213
164 H2'' DA 21 H2'' DA 21 3.478 6.508 -3.793
165 H1' DA 21 H1' DA 21 5.707 6.094 -3.133
166 H8 DA 21 H8 DA 21 3.512 6.387 -0.188
167 H61 DA 21 H61 DA 21 8.474 4.607 3.149
168 H62 DA 21 H62 DA 21 6.751 4.930 3.251
169 H2 DA 21 H2 DA 21 9.895 5.711 -0.778
170 H5' DC 22 H5' DC 22 -0.381 10.754 -0.545
171 H5'' DC 22 H5'' DC 22 0.971 10.175 0.437
172 H4' DC 22 H4' DC 22 -1.251 9.905 1.505
173 H3' DC 22 H3' DC 22 0.561 7.646 1.139
174 H2' DC 22 H2' DC 22 -0.969 5.834 1.292
175 H2'' DC 22 H2'' DC 22 -2.230 6.815 2.011
176 H1' DC 22 H1' DC 22 -3.018 6.901 -0.124
177 H41 DC 22 H41 DC 22 -0.301 6.024 -5.616
178 H42 DC 22 H42 DC 22 1.013 5.090 -4.844
179 H5 DC 22 H5 DC 22 1.138 4.865 -2.449
180 H6 DC 22 H6 DC 22 0.250 5.732 -0.367
181 H5' DG 23 H5' DG 23 -3.225 6.647 3.937
182 H5'' DG 23 H5'' DG 23 -3.296 6.628 5.699
183 H4' DG 23 H4' DG 23 -3.098 4.431 4.105
184 H3' DG 23 H3' DG 23 -2.178 4.761 6.952
185 H2' DG 23 H2' DG 23 -1.042 2.702 6.854
186 H2'' DG 23 H2'' DG 23 -1.994 2.086 5.509
187 H1' DG 23 H1' DG 23 -0.457 2.808 4.049
188 H8 DG 23 H8 DG 23 1.148 1.800 6.436
189 H1 DG 23 H1 DG 23 4.451 7.192 5.252
190 H21 DG 23 H21 DG 23 3.163 8.405 3.717
191 H22 DG 23 H22 DG 23 1.466 8.042 3.691
192 H5' DC 24 H5' DC 24 -5.310 6.863 5.152
193 H5'' DC 24 H5'' DC 24 -6.964 6.300 5.181
194 H4' DC 24 H4' DC 24 -5.497 7.150 2.951
195 H3' DC 24 H3' DC 24 -8.065 5.597 3.145
196 H2' DC 24 H2' DC 24 -8.002 5.585 0.673
197 H2'' DC 24 H2'' DC 24 -6.621 6.672 0.774
198 H1' DC 24 H1' DC 24 -5.609 4.487 0.595
199 H41 DC 24 H41 DC 24 -10.022 0.007 1.266
200 H42 DC 24 H42 DC 24 -9.731 -0.072 3.014
201 H5 DC 24 H5 DC 24 -8.204 1.412 4.132
202 H6 DC 24 H6 DC 24 -6.674 3.316 3.814
203 H5' DC 25 H5' DC 25 -11.093 7.781 5.039
204 H5'' DC 25 H5'' DC 25 -9.366 7.398 5.135
205 H4' DC 25 H4' DC 25 -10.712 5.943 6.591
206 H3' DC 25 H3' DC 25 -9.205 4.663 4.297
207 HO3' DC 25 HO3' DC 25 -7.863 4.091 6.180
208 H2' DC 25 H2' DC 25 -10.133 2.574 4.880
209 H2'' DC 25 H2'' DC 25 -10.238 2.998 6.604
210 H1' DC 25 H1' DC 25 -12.367 3.629 6.388
211 H41 DC 25 H41 DC 25 -14.216 1.061 0.621
212 H42 DC 25 H42 DC 25 -15.061 0.052 1.800
213 H5 DC 25 H5 DC 25 -14.519 0.247 4.196
214 H6 DC 25 H6 DC 25 -13.311 1.594 5.847
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 -5.261 -11.338 6.821
2 H2 LYS 1 H2 LYS 1 -5.182 -12.944 6.515
3 H3 LYS 1 H3 LYS 1 -6.624 -12.238 6.944
4 HA LYS 1 HA LYS 1 -6.454 -12.787 4.557
5 HB2 LYS 1 HB2 LYS 1 -7.914 -10.872 5.494
6 HB3 LYS 1 HB3 LYS 1 -6.640 -9.787 4.943
7 HG2 LYS 1 HG2 LYS 1 -8.120 -9.804 3.139
8 HG3 LYS 1 HG3 LYS 1 -6.916 -10.971 2.625
9 HD2 LYS 1 HD2 LYS 1 -8.712 -12.293 2.192
10 HD3 LYS 1 HD3 LYS 1 -8.689 -12.632 3.922
11 HE2 LYS 1 HE2 LYS 1 -10.916 -11.996 3.552
12 HE3 LYS 1 HE3 LYS 1 -10.191 -10.499 4.143
13 HZ1 LYS 1 HZ1 LYS 1 -9.926 -9.862 1.735
14 HZ2 LYS 1 HZ2 LYS 1 -11.508 -10.111 2.164
15 HZ3 LYS 1 HZ3 LYS 1 -10.691 -11.240 1.313
16 H GLY 2 H GLY 2 -4.170 -10.141 5.518
17 HA2 GLY 2 HA2 GLY 2 -1.864 -10.773 4.648
18 HA3 GLY 2 HA3 GLY 2 -2.597 -10.667 3.041
19 H CYS 3 H CYS 3 -1.864 -8.886 2.071
20 HA CYS 3 HA CYS 3 -0.887 -6.523 3.267
21 HB2 CYS 3 HB2 CYS 3 -1.174 -7.500 0.669
22 HB3 CYS 3 HB3 CYS 3 -2.276 -6.125 0.712
23 H TRP 4 H TRP 4 -1.811 -4.479 3.412
24 HA TRP 4 HA TRP 4 -4.425 -4.230 4.597
25 HB2 TRP 4 HB2 TRP 4 -2.772 -2.678 5.222
26 HB3 TRP 4 HB3 TRP 4 -2.205 -2.487 3.598
27 HD1 TRP 4 HD1 TRP 4 -5.762 -1.640 4.992
28 HE1 TRP 4 HE1 TRP 4 -6.212 0.811 4.344
29 HE3 TRP 4 HE3 TRP 4 -1.253 -0.550 2.858
30 HZ2 TRP 4 HZ2 TRP 4 -4.686 2.996 3.251
31 HZ3 TRP 4 HZ3 TRP 4 -0.790 1.678 2.000
32 HH2 TRP 4 HH2 TRP 4 -2.506 3.488 2.128
33 H LYS 5 H LYS 5 -3.216 -3.072 1.424
34 HA LYS 5 HA LYS 5 -6.033 -2.796 0.463
35 HB2 LYS 5 HB2 LYS 5 -5.310 -1.016 -0.889
36 HB3 LYS 5 HB3 LYS 5 -4.579 -0.790 0.685
37 HG2 LYS 5 HG2 LYS 5 -2.782 -0.303 -0.645
38 HG3 LYS 5 HG3 LYS 5 -2.498 -2.010 -0.371
39 HD2 LYS 5 HD2 LYS 5 -2.128 -1.714 -2.689
40 HD3 LYS 5 HD3 LYS 5 -3.733 -2.409 -2.649
41 HE2 LYS 5 HE2 LYS 5 -4.237 0.307 -2.424
42 HE3 LYS 5 HE3 LYS 5 -2.808 0.272 -3.464
43 HZ1 LYS 5 HZ1 LYS 5 -4.775 0.177 -4.788
44 HZ2 LYS 5 HZ2 LYS 5 -5.387 -1.107 -3.960
45 HZ3 LYS 5 HZ3 LYS 5 -4.072 -1.310 -4.921
46 H CYS 6 H CYS 6 -2.914 -4.232 -0.471
47 HA CYS 6 HA CYS 6 -3.672 -4.935 -3.059
48 HB2 CYS 6 HB2 CYS 6 -1.540 -6.460 -1.571
49 HB3 CYS 6 HB3 CYS 6 -1.596 -5.900 -3.242
50 H GLY 7 H GLY 7 -3.110 -7.193 -0.393
51 HA2 GLY 7 HA2 GLY 7 -4.812 -8.729 0.397
52 HA3 GLY 7 HA3 GLY 7 -5.416 -8.849 -1.251
53 H LYS 8 H LYS 8 -1.986 -9.160 -0.442
54 HA LYS 8 HA LYS 8 -2.083 -12.021 -1.334
55 HB2 LYS 8 HB2 LYS 8 0.046 -9.981 -1.932
56 HB3 LYS 8 HB3 LYS 8 -0.106 -11.572 -2.654
57 HG2 LYS 8 HG2 LYS 8 -2.142 -10.931 -3.834
58 HG3 LYS 8 HG3 LYS 8 -2.103 -9.307 -3.136
59 HD2 LYS 8 HD2 LYS 8 0.241 -10.363 -4.758
60 HD3 LYS 8 HD3 LYS 8 -1.190 -9.684 -5.522
61 HE2 LYS 8 HE2 LYS 8 0.483 -7.978 -5.364
62 HE3 LYS 8 HE3 LYS 8 -0.886 -7.550 -4.346
63 HZ1 LYS 8 HZ1 LYS 8 1.526 -8.872 -3.239
64 HZ2 LYS 8 HZ2 LYS 8 0.364 -8.097 -2.410
65 HZ3 LYS 8 HZ3 LYS 8 1.410 -7.249 -3.345
66 H GLU 9 H GLU 9 -1.571 -10.717 1.422
67 HA GLU 9 HA GLU 9 -0.176 -10.911 3.262
68 HB2 GLU 9 HB2 GLU 9 0.358 -13.622 2.049
69 HB3 GLU 9 HB3 GLU 9 0.541 -13.173 3.742
70 HG2 GLU 9 HG2 GLU 9 -1.841 -12.886 3.995
71 HG3 GLU 9 HG3 GLU 9 -2.121 -13.109 2.259
72 H GLY 10 H GLY 10 1.246 -9.733 0.853
73 HA2 GLY 10 HA2 GLY 10 3.919 -10.847 0.846
74 HA3 GLY 10 HA3 GLY 10 3.366 -9.374 0.038
75 H HIS 11 H HIS 11 2.326 -8.085 2.414
76 HA HIS 11 HA HIS 11 4.212 -8.045 4.540
77 HB2 HIS 11 HB2 HIS 11 4.935 -5.605 4.191
78 HB3 HIS 11 HB3 HIS 11 5.687 -6.781 3.139
79 HD1 HIS 11 HD1 HIS 11 5.877 -5.701 0.777
80 HD2 HIS 11 HD2 HIS 11 2.319 -4.720 2.797
81 HE1 HIS 11 HE1 HIS 11 4.408 -4.366 -0.844
82 H GLN 12 H GLN 12 3.778 -5.443 5.414
83 HA GLN 12 HA GLN 12 0.874 -5.156 5.906
84 HB2 GLN 12 HB2 GLN 12 3.202 -5.597 7.659
85 HB3 GLN 12 HB3 GLN 12 2.432 -4.081 7.996
86 HG2 GLN 12 HG2 GLN 12 0.229 -5.330 8.212
87 HG3 GLN 12 HG3 GLN 12 1.105 -6.840 7.905
88 HE21 GLN 12 HE21 GLN 12 0.951 -4.027 10.114
89 HE22 GLN 12 HE22 GLN 12 1.585 -4.907 11.506
90 H MET 13 H MET 13 0.535 -2.775 7.012
91 HA MET 13 HA MET 13 0.554 -1.105 4.723
92 HB2 MET 13 HB2 MET 13 0.321 -0.240 7.628
93 HB3 MET 13 HB3 MET 13 -0.021 0.706 6.157
94 HG2 MET 13 HG2 MET 13 -1.658 -0.915 5.477
95 HG3 MET 13 HG3 MET 13 -1.558 -1.674 7.061
96 HE1 MET 13 HE1 MET 13 -1.289 1.404 8.738
97 HE2 MET 13 HE2 MET 13 -2.966 1.373 9.297
98 HE3 MET 13 HE3 MET 13 -1.993 -0.114 9.355
99 H LYS 14 H LYS 14 2.949 -1.142 7.341
100 HA LYS 14 HA LYS 14 4.316 1.253 6.518
101 HB2 LYS 14 HB2 LYS 14 4.940 -1.118 8.267
102 HB3 LYS 14 HB3 LYS 14 6.230 -0.004 7.877
103 HG2 LYS 14 HG2 LYS 14 5.302 1.786 9.016
104 HG3 LYS 14 HG3 LYS 14 3.656 1.252 8.786
105 HD2 LYS 14 HD2 LYS 14 5.069 -0.672 10.473
106 HD3 LYS 14 HD3 LYS 14 5.292 0.952 11.095
107 HE2 LYS 14 HE2 LYS 14 3.347 -0.129 12.111
108 HE3 LYS 14 HE3 LYS 14 2.879 1.329 11.231
109 HZ1 LYS 14 HZ1 LYS 14 1.483 -0.752 10.909
110 HZ2 LYS 14 HZ2 LYS 14 2.700 -1.355 10.003
111 HZ3 LYS 14 HZ3 LYS 14 1.924 0.064 9.551
112 H ASP 15 H ASP 15 4.415 -1.971 5.232
113 HA ASP 15 HA ASP 15 6.763 -1.253 3.501
114 HB2 ASP 15 HB2 ASP 15 5.741 -3.719 4.797
115 HB3 ASP 15 HB3 ASP 15 6.374 -3.899 3.156
116 H CYS 16 H CYS 16 3.386 -1.606 3.466
117 HA CYS 16 HA CYS 16 3.141 -2.059 0.602
118 HB2 CYS 16 HB2 CYS 16 1.575 -2.971 2.362
119 HB3 CYS 16 HB3 CYS 16 1.109 -1.447 2.744
120 H THR 17 H THR 17 1.948 0.513 2.699
121 HA THR 17 HA THR 17 1.397 2.677 2.321
122 HB THR 17 HB THR 17 3.097 4.166 1.713
123 HG1 THR 17 HG1 THR 17 4.085 2.048 0.136
124 HG21 THR 17 HG21 THR 17 4.947 3.396 2.951
125 HG22 THR 17 HG22 THR 17 4.686 1.706 2.444
126 HG23 THR 17 HG23 THR 17 3.578 2.480 3.594
127 H GLU 18 H GLU 18 0.489 0.679 0.130
128 HA GLU 18 HA GLU 18 0.829 2.215 -2.213
129 HB2 GLU 18 HB2 GLU 18 -0.693 -0.321 -1.619
130 HB3 GLU 18 HB3 GLU 18 -0.654 0.331 -3.251
131 HG2 GLU 18 HG2 GLU 18 1.736 -0.548 -1.646
132 HG3 GLU 18 HG3 GLU 18 0.936 -1.469 -2.916
133 H ARG 19 H ARG 19 -1.550 2.826 0.010
134 HA ARG 19 HA ARG 19 -3.546 3.887 0.136
135 HB2 ARG 19 HB2 ARG 19 -2.626 5.474 -1.587
136 HB3 ARG 19 HB3 ARG 19 -3.274 4.457 -2.857
137 HG2 ARG 19 HG2 ARG 19 -5.551 4.832 -1.786
138 HG3 ARG 19 HG3 ARG 19 -4.782 6.081 -0.808
139 HD2 ARG 19 HD2 ARG 19 -4.345 6.137 -3.809
140 HD3 ARG 19 HD3 ARG 19 -5.946 6.527 -3.252
141 HE ARG 19 HE ARG 19 -3.570 8.185 -2.989
142 HH11 ARG 19 HH11 ARG 19 -6.804 7.647 -1.665
143 HH12 ARG 19 HH12 ARG 19 -6.926 9.323 -1.161
144 HH21 ARG 19 HH21 ARG 19 -3.972 10.326 -2.538
145 HH22 ARG 19 HH22 ARG 19 -5.402 10.751 -1.619
146 H5' DT 20 H5' DT 20 10.167 1.228 2.136
147 H5'' DT 20 H5'' DT 20 9.178 2.679 2.005
148 H4' DT 20 H4' DT 20 9.824 1.905 -0.179
149 H3' DT 20 H3' DT 20 7.042 2.276 0.462
150 H2' DT 20 H2' DT 20 6.523 0.025 0.074
151 H2'' DT 20 H2'' DT 20 6.436 0.615 -1.617
152 H1' DT 20 H1' DT 20 8.749 0.037 -2.005
153 H3 DT 20 H3 DT 20 6.946 -4.013 -3.301
154 H71 DT 20 H71 DT 20 8.968 -4.302 1.757
155 H72 DT 20 H72 DT 20 9.262 -5.623 0.608
156 H73 DT 20 H73 DT 20 7.657 -5.412 1.313
157 H6 DT 20 H6 DT 20 8.681 -2.222 0.820
158 HO5' DT 20 HO5' DT 20 7.764 1.665 3.189
159 H5' DA 21 H5' DA 21 7.848 6.871 -2.146
160 H5'' DA 21 H5'' DA 21 7.457 6.726 -0.439
161 H4' DA 21 H4' DA 21 5.924 8.218 -1.498
162 H3' DA 21 H3' DA 21 4.999 5.721 -0.325
163 H2' DA 21 H2' DA 21 3.026 5.383 -1.397
164 H2'' DA 21 H2'' DA 21 2.798 7.045 -1.862
165 H1' DA 21 H1' DA 21 3.578 6.345 -3.920
166 H8 DA 21 H8 DA 21 3.286 3.560 -2.231
167 H61 DA 21 H61 DA 21 8.059 0.687 -5.120
168 H62 DA 21 H62 DA 21 6.725 0.401 -4.038
169 H2 DA 21 H2 DA 21 8.263 4.878 -6.130
170 H5' DC 22 H5' DC 22 0.881 9.932 -0.824
171 H5'' DC 22 H5'' DC 22 1.407 10.504 0.733
172 H4' DC 22 H4' DC 22 -0.711 10.294 1.275
173 H3' DC 22 H3' DC 22 0.440 8.066 2.337
174 H2' DC 22 H2' DC 22 -0.079 6.361 0.926
175 H2'' DC 22 H2'' DC 22 -1.742 6.517 1.514
176 H1' DC 22 H1' DC 22 -2.478 7.390 -0.445
177 H41 DC 22 H41 DC 22 1.136 6.800 -5.743
178 H42 DC 22 H42 DC 22 1.564 5.216 -5.123
179 H5 DC 22 H5 DC 22 0.985 4.548 -2.841
180 H6 DC 22 H6 DC 22 -0.135 5.280 -0.805
181 H5' DG 23 H5' DG 23 -2.814 6.727 3.620
182 H5'' DG 23 H5'' DG 23 -3.152 6.759 5.334
183 H4' DG 23 H4' DG 23 -2.934 4.521 4.054
184 H3' DG 23 H3' DG 23 -1.651 4.980 6.719
185 H2' DG 23 H2' DG 23 -0.676 2.834 6.586
186 H2'' DG 23 H2'' DG 23 -1.747 2.261 5.321
187 H1' DG 23 H1' DG 23 -0.233 2.874 3.785
188 H8 DG 23 H8 DG 23 1.427 2.069 6.269
189 H1 DG 23 H1 DG 23 4.940 7.041 4.299
190 H21 DG 23 H21 DG 23 3.717 8.374 3.037
191 H22 DG 23 H22 DG 23 2.066 7.947 2.681
192 H5' DC 24 H5' DC 24 -5.230 7.052 5.190
193 H5'' DC 24 H5'' DC 24 -6.826 6.333 5.363
194 H4' DC 24 H4' DC 24 -5.509 7.148 2.992
195 H3' DC 24 H3' DC 24 -8.062 5.577 3.387
196 H2' DC 24 H2' DC 24 -8.092 5.484 0.906
197 H2'' DC 24 H2'' DC 24 -6.749 6.648 0.828
198 H1' DC 24 H1' DC 24 -5.548 4.661 0.718
199 H41 DC 24 H41 DC 24 -9.552 -0.202 2.608
200 H42 DC 24 H42 DC 24 -9.584 -0.277 0.846
201 H5 DC 24 H5 DC 24 -8.394 1.280 -0.507
202 H6 DC 24 H6 DC 24 -6.952 3.243 -0.477
203 H5' DC 25 H5' DC 25 -12.273 6.751 2.645
204 H5'' DC 25 H5'' DC 25 -11.321 5.554 3.525
205 H4' DC 25 H4' DC 25 -12.827 4.479 1.967
206 H3' DC 25 H3' DC 25 -9.903 4.098 1.724
207 HO3' DC 25 HO3' DC 25 -10.661 1.900 1.894
208 H2' DC 25 H2' DC 25 -10.013 4.055 -0.571
209 H2'' DC 25 H2'' DC 25 -10.916 2.519 -0.406
210 H1' DC 25 H1' DC 25 -13.029 3.652 -0.409
211 H41 DC 25 H41 DC 25 -12.397 4.845 -6.592
212 H42 DC 25 H42 DC 25 -11.808 6.484 -6.230
213 H5 DC 25 H5 DC 25 -11.511 7.306 -4.030
214 H6 DC 25 H6 DC 25 -11.559 6.705 -1.663
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 -6.955 -9.820 4.082
2 H2 LYS 1 H2 LYS 1 -6.490 -9.573 5.628
3 H3 LYS 1 H3 LYS 1 -7.858 -10.434 5.317
4 HA LYS 1 HA LYS 1 -5.755 -11.676 5.986
5 HB2 LYS 1 HB2 LYS 1 -7.888 -12.700 5.104
6 HB3 LYS 1 HB3 LYS 1 -7.180 -12.655 3.482
7 HG2 LYS 1 HG2 LYS 1 -5.217 -13.973 4.429
8 HG3 LYS 1 HG3 LYS 1 -6.103 -14.122 5.943
9 HD2 LYS 1 HD2 LYS 1 -7.114 -15.161 3.247
10 HD3 LYS 1 HD3 LYS 1 -6.146 -16.089 4.372
11 HE2 LYS 1 HE2 LYS 1 -8.271 -16.846 4.773
12 HE3 LYS 1 HE3 LYS 1 -7.954 -15.773 6.131
13 HZ1 LYS 1 HZ1 LYS 1 -9.364 -14.665 3.786
14 HZ2 LYS 1 HZ2 LYS 1 -9.592 -14.350 5.406
15 HZ3 LYS 1 HZ3 LYS 1 -10.169 -15.711 4.750
16 H GLY 2 H GLY 2 -3.897 -10.484 5.680
17 HA2 GLY 2 HA2 GLY 2 -1.739 -10.785 4.549
18 HA3 GLY 2 HA3 GLY 2 -2.575 -10.714 3.001
19 H CYS 3 H CYS 3 -1.632 -8.944 2.077
20 HA CYS 3 HA CYS 3 -0.906 -6.508 3.242
21 HB2 CYS 3 HB2 CYS 3 -0.811 -7.594 0.748
22 HB3 CYS 3 HB3 CYS 3 -2.120 -6.444 0.524
23 H TRP 4 H TRP 4 -1.931 -4.631 3.609
24 HA TRP 4 HA TRP 4 -4.607 -4.434 4.482
25 HB2 TRP 4 HB2 TRP 4 -3.127 -2.813 5.296
26 HB3 TRP 4 HB3 TRP 4 -2.338 -2.632 3.770
27 HD1 TRP 4 HD1 TRP 4 -6.031 -1.786 4.703
28 HE1 TRP 4 HE1 TRP 4 -6.426 0.644 3.930
29 HE3 TRP 4 HE3 TRP 4 -1.339 -0.726 2.976
30 HZ2 TRP 4 HZ2 TRP 4 -4.748 2.859 3.163
31 HZ3 TRP 4 HZ3 TRP 4 -0.789 1.513 2.180
32 HH2 TRP 4 HH2 TRP 4 -2.481 3.348 2.232
33 H LYS 5 H LYS 5 -3.262 -3.157 1.414
34 HA LYS 5 HA LYS 5 -6.035 -2.869 0.366
35 HB2 LYS 5 HB2 LYS 5 -5.326 -1.041 -0.897
36 HB3 LYS 5 HB3 LYS 5 -4.583 -0.853 0.669
37 HG2 LYS 5 HG2 LYS 5 -2.836 -0.269 -0.697
38 HG3 LYS 5 HG3 LYS 5 -2.490 -1.962 -0.432
39 HD2 LYS 5 HD2 LYS 5 -2.133 -1.677 -2.742
40 HD3 LYS 5 HD3 LYS 5 -3.722 -2.372 -2.728
41 HE2 LYS 5 HE2 LYS 5 -3.969 0.502 -2.543
42 HE3 LYS 5 HE3 LYS 5 -2.776 0.130 -3.780
43 HZ1 LYS 5 HZ1 LYS 5 -4.578 -1.488 -4.658
44 HZ2 LYS 5 HZ2 LYS 5 -4.730 0.113 -4.926
45 HZ3 LYS 5 HZ3 LYS 5 -5.622 -0.575 -3.739
46 H CYS 6 H CYS 6 -3.063 -4.558 -0.286
47 HA CYS 6 HA CYS 6 -3.724 -5.083 -3.040
48 HB2 CYS 6 HB2 CYS 6 -1.468 -6.390 -1.513
49 HB3 CYS 6 HB3 CYS 6 -1.568 -5.910 -3.205
50 H GLY 7 H GLY 7 -3.696 -7.019 -0.071
51 HA2 GLY 7 HA2 GLY 7 -4.954 -8.873 0.458
52 HA3 GLY 7 HA3 GLY 7 -5.570 -8.880 -1.210
53 H LYS 8 H LYS 8 -2.193 -9.171 -0.223
54 HA LYS 8 HA LYS 8 -2.087 -11.883 -1.491
55 HB2 LYS 8 HB2 LYS 8 -0.092 -9.678 -1.916
56 HB3 LYS 8 HB3 LYS 8 -0.261 -11.179 -2.830
57 HG2 LYS 8 HG2 LYS 8 -2.487 -10.363 -3.661
58 HG3 LYS 8 HG3 LYS 8 -2.147 -8.797 -2.912
59 HD2 LYS 8 HD2 LYS 8 -0.279 -10.024 -4.945
60 HD3 LYS 8 HD3 LYS 8 -1.708 -9.099 -5.401
61 HE2 LYS 8 HE2 LYS 8 0.424 -7.806 -5.453
62 HE3 LYS 8 HE3 LYS 8 -0.903 -7.082 -4.556
63 HZ1 LYS 8 HZ1 LYS 8 0.166 -7.835 -2.490
64 HZ2 LYS 8 HZ2 LYS 8 1.230 -6.929 -3.361
65 HZ3 LYS 8 HZ3 LYS 8 1.356 -8.569 -3.333
66 H GLU 9 H GLU 9 -1.596 -10.853 1.387
67 HA GLU 9 HA GLU 9 -0.150 -11.159 3.141
68 HB2 GLU 9 HB2 GLU 9 0.366 -13.759 1.740
69 HB3 GLU 9 HB3 GLU 9 0.614 -13.410 3.450
70 HG2 GLU 9 HG2 GLU 9 -1.751 -13.107 3.825
71 HG3 GLU 9 HG3 GLU 9 -2.108 -13.287 2.097
72 H GLY 10 H GLY 10 1.265 -9.642 0.964
73 HA2 GLY 10 HA2 GLY 10 3.962 -10.740 0.824
74 HA3 GLY 10 HA3 GLY 10 3.388 -9.215 0.157
75 H HIS 11 H HIS 11 2.342 -8.051 2.532
76 HA HIS 11 HA HIS 11 4.185 -8.064 4.711
77 HB2 HIS 11 HB2 HIS 11 5.009 -5.660 4.284
78 HB3 HIS 11 HB3 HIS 11 5.737 -6.909 3.323
79 HD1 HIS 11 HD1 HIS 11 6.114 -5.875 0.958
80 HD2 HIS 11 HD2 HIS 11 2.485 -4.732 2.756
81 HE1 HIS 11 HE1 HIS 11 4.826 -4.438 -0.726
82 H GLN 12 H GLN 12 3.846 -5.509 5.718
83 HA GLN 12 HA GLN 12 0.896 -4.995 5.845
84 HB2 GLN 12 HB2 GLN 12 2.417 -5.907 7.930
85 HB3 GLN 12 HB3 GLN 12 2.745 -4.196 8.066
86 HG2 GLN 12 HG2 GLN 12 0.895 -4.778 9.498
87 HG3 GLN 12 HG3 GLN 12 0.234 -3.794 8.207
88 HE21 GLN 12 HE21 GLN 12 0.814 -7.233 9.125
89 HE22 GLN 12 HE22 GLN 12 -0.614 -7.842 8.287
90 H MET 13 H MET 13 0.575 -2.727 6.858
91 HA MET 13 HA MET 13 0.699 -1.139 4.586
92 HB2 MET 13 HB2 MET 13 0.267 -0.194 7.405
93 HB3 MET 13 HB3 MET 13 -0.262 0.537 5.858
94 HG2 MET 13 HG2 MET 13 -2.095 -0.655 5.805
95 HG3 MET 13 HG3 MET 13 -1.204 -2.106 5.875
96 HE1 MET 13 HE1 MET 13 -3.525 -0.050 9.225
97 HE2 MET 13 HE2 MET 13 -2.047 0.775 8.677
98 HE3 MET 13 HE3 MET 13 -3.363 0.442 7.524
99 H LYS 14 H LYS 14 2.977 -1.126 7.237
100 HA LYS 14 HA LYS 14 4.416 1.282 6.541
101 HB2 LYS 14 HB2 LYS 14 4.886 -1.181 8.236
102 HB3 LYS 14 HB3 LYS 14 6.176 -0.015 8.020
103 HG2 LYS 14 HG2 LYS 14 5.092 1.638 9.237
104 HG3 LYS 14 HG3 LYS 14 3.469 1.066 8.850
105 HD2 LYS 14 HD2 LYS 14 5.347 -0.577 10.570
106 HD3 LYS 14 HD3 LYS 14 4.369 0.716 11.277
107 HE2 LYS 14 HE2 LYS 14 3.237 -1.658 9.716
108 HE3 LYS 14 HE3 LYS 14 3.375 -1.587 11.470
109 HZ1 LYS 14 HZ1 LYS 14 1.705 0.298 9.865
110 HZ2 LYS 14 HZ2 LYS 14 1.935 0.374 11.457
111 HZ3 LYS 14 HZ3 LYS 14 1.163 -0.930 10.828
112 H ASP 15 H ASP 15 4.516 -1.972 5.312
113 HA ASP 15 HA ASP 15 6.954 -1.363 3.687
114 HB2 ASP 15 HB2 ASP 15 5.798 -3.761 4.898
115 HB3 ASP 15 HB3 ASP 15 6.295 -3.966 3.203
116 H CYS 16 H CYS 16 3.493 -1.718 3.451
117 HA CYS 16 HA CYS 16 3.389 -2.002 0.572
118 HB2 CYS 16 HB2 CYS 16 1.764 -3.026 2.176
119 HB3 CYS 16 HB3 CYS 16 1.278 -1.530 2.671
120 H THR 17 H THR 17 2.123 0.510 2.722
121 HA THR 17 HA THR 17 1.291 2.566 2.412
122 HB THR 17 HB THR 17 2.773 4.279 1.810
123 HG1 THR 17 HG1 THR 17 4.792 3.690 0.781
124 HG21 THR 17 HG21 THR 17 4.804 3.709 2.924
125 HG22 THR 17 HG22 THR 17 4.596 1.982 2.528
126 HG23 THR 17 HG23 THR 17 3.506 2.764 3.688
127 H GLU 18 H GLU 18 0.522 0.624 0.100
128 HA GLU 18 HA GLU 18 0.743 2.276 -2.160
129 HB2 GLU 18 HB2 GLU 18 -0.670 -0.347 -1.664
130 HB3 GLU 18 HB3 GLU 18 -0.678 0.360 -3.270
131 HG2 GLU 18 HG2 GLU 18 1.789 -0.432 -1.742
132 HG3 GLU 18 HG3 GLU 18 0.992 -1.412 -2.953
133 H ARG 19 H ARG 19 -1.609 2.798 0.061
134 HA ARG 19 HA ARG 19 -3.617 3.828 0.219
135 HB2 ARG 19 HB2 ARG 19 -2.752 5.347 -1.674
136 HB3 ARG 19 HB3 ARG 19 -3.643 4.336 -2.795
137 HG2 ARG 19 HG2 ARG 19 -5.722 4.897 -1.362
138 HG3 ARG 19 HG3 ARG 19 -4.686 6.079 -0.543
139 HD2 ARG 19 HD2 ARG 19 -5.935 7.249 -2.243
140 HD3 ARG 19 HD3 ARG 19 -4.261 7.139 -2.829
141 HE ARG 19 HE ARG 19 -5.500 4.875 -3.853
142 HH11 ARG 19 HH11 ARG 19 -6.241 8.322 -4.369
143 HH12 ARG 19 HH12 ARG 19 -7.064 7.867 -5.859
144 HH21 ARG 19 HH21 ARG 19 -6.492 4.564 -5.677
145 HH22 ARG 19 HH22 ARG 19 -7.202 5.934 -6.557
146 H5' DT 20 H5' DT 20 9.679 6.496 2.023
147 H5'' DT 20 H5'' DT 20 8.734 7.001 0.612
148 H4' DT 20 H4' DT 20 10.306 5.356 -0.113
149 H3' DT 20 H3' DT 20 7.450 4.744 -0.242
150 H2' DT 20 H2' DT 20 7.722 2.710 0.790
151 H2'' DT 20 H2'' DT 20 8.285 2.204 -0.825
152 H1' DT 20 H1' DT 20 10.622 2.745 -0.168
153 H3 DT 20 H3 DT 20 11.726 0.622 4.188
154 H71 DT 20 H71 DT 20 8.480 -2.456 2.266
155 H72 DT 20 H72 DT 20 9.953 -2.823 1.363
156 H73 DT 20 H73 DT 20 8.600 -1.983 0.575
157 H6 DT 20 H6 DT 20 8.942 0.236 0.279
158 HO5' DT 20 HO5' DT 20 7.230 6.693 2.174
159 H5' DA 21 H5' DA 21 7.190 7.214 -2.856
160 H5'' DA 21 H5'' DA 21 7.223 6.747 -1.168
161 H4' DA 21 H4' DA 21 5.519 8.389 -1.589
162 H3' DA 21 H3' DA 21 4.817 5.774 -0.514
163 H2' DA 21 H2' DA 21 2.544 5.660 -1.097
164 H2'' DA 21 H2'' DA 21 2.385 7.365 -1.326
165 H1' DA 21 H1' DA 21 2.590 6.844 -3.559
166 H8 DA 21 H8 DA 21 3.438 3.945 -1.656
167 H61 DA 21 H61 DA 21 5.770 1.397 -6.884
168 H62 DA 21 H62 DA 21 5.262 1.004 -5.230
169 H2 DA 21 H2 DA 21 5.262 5.583 -7.606
170 H5' DC 22 H5' DC 22 0.927 9.361 -0.668
171 H5'' DC 22 H5'' DC 22 1.330 10.539 0.575
172 H4' DC 22 H4' DC 22 -0.589 10.254 1.603
173 H3' DC 22 H3' DC 22 0.343 7.853 2.547
174 H2' DC 22 H2' DC 22 -0.316 6.267 1.027
175 H2'' DC 22 H2'' DC 22 -1.956 6.549 1.612
176 H1' DC 22 H1' DC 22 -2.612 7.582 -0.273
177 H41 DC 22 H41 DC 22 0.422 6.829 -5.818
178 H42 DC 22 H42 DC 22 0.692 5.178 -5.252
179 H5 DC 22 H5 DC 22 0.464 4.599 -2.925
180 H6 DC 22 H6 DC 22 -0.378 5.351 -0.787
181 H5' DG 23 H5' DG 23 -2.992 6.668 3.871
182 H5'' DG 23 H5'' DG 23 -3.341 6.623 5.589
183 H4' DG 23 H4' DG 23 -2.999 4.447 4.127
184 H3' DG 23 H3' DG 23 -1.949 4.711 6.935
185 H2' DG 23 H2' DG 23 -0.936 2.618 6.725
186 H2'' DG 23 H2'' DG 23 -1.919 2.085 5.363
187 H1' DG 23 H1' DG 23 -0.383 2.821 3.906
188 H8 DG 23 H8 DG 23 1.126 1.882 6.585
189 H1 DG 23 H1 DG 23 4.661 7.028 5.100
190 H21 DG 23 H21 DG 23 3.739 8.082 3.429
191 H22 DG 23 H22 DG 23 2.232 7.510 2.736
192 H5' DC 24 H5' DC 24 -5.636 6.818 5.260
193 H5'' DC 24 H5'' DC 24 -7.101 5.824 5.280
194 H4' DC 24 H4' DC 24 -5.648 6.937 3.021
195 H3' DC 24 H3' DC 24 -8.231 5.395 3.289
196 H2' DC 24 H2' DC 24 -8.212 5.232 0.818
197 H2'' DC 24 H2'' DC 24 -6.825 6.346 0.736
198 H1' DC 24 H1' DC 24 -5.717 4.279 0.732
199 H41 DC 24 H41 DC 24 -9.622 -0.404 3.123
200 H42 DC 24 H42 DC 24 -9.721 -0.642 1.364
201 H5 DC 24 H5 DC 24 -8.450 0.731 -0.160
202 H6 DC 24 H6 DC 24 -7.109 2.752 -0.328
203 H5' DC 25 H5' DC 25 -12.387 6.792 2.030
204 H5'' DC 25 H5'' DC 25 -11.718 5.574 3.123
205 H4' DC 25 H4' DC 25 -12.971 4.470 1.411
206 H3' DC 25 H3' DC 25 -10.081 3.936 1.606
207 HO3' DC 25 HO3' DC 25 -11.211 1.751 0.926
208 H2' DC 25 H2' DC 25 -9.824 4.283 -0.687
209 H2'' DC 25 H2'' DC 25 -10.534 2.644 -0.808
210 H1' DC 25 H1' DC 25 -12.791 3.594 -0.934
211 H41 DC 25 H41 DC 25 -12.921 6.098 -6.728
212 H42 DC 25 H42 DC 25 -11.601 4.987 -7.083
213 H5 DC 25 H5 DC 25 -10.351 3.887 -5.374
214 H6 DC 25 H6 DC 25 -10.248 3.388 -2.999
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 -6.525 -11.510 3.908
2 H2 LYS 1 H2 LYS 1 -6.394 -10.115 4.764
3 H3 LYS 1 H3 LYS 1 -7.604 -11.156 5.080
4 HA LYS 1 HA LYS 1 -5.862 -11.280 6.773
5 HB2 LYS 1 HB2 LYS 1 -6.497 -13.715 5.071
6 HB3 LYS 1 HB3 LYS 1 -5.506 -13.848 6.526
7 HG2 LYS 1 HG2 LYS 1 -7.225 -13.158 7.971
8 HG3 LYS 1 HG3 LYS 1 -8.209 -12.515 6.667
9 HD2 LYS 1 HD2 LYS 1 -9.206 -14.512 7.549
10 HD3 LYS 1 HD3 LYS 1 -8.744 -14.761 5.866
11 HE2 LYS 1 HE2 LYS 1 -6.937 -16.201 6.456
12 HE3 LYS 1 HE3 LYS 1 -6.980 -15.720 8.156
13 HZ1 LYS 1 HZ1 LYS 1 -8.929 -16.928 8.519
14 HZ2 LYS 1 HZ2 LYS 1 -8.077 -17.945 7.609
15 HZ3 LYS 1 HZ3 LYS 1 -9.322 -17.103 6.944
16 H GLY 2 H GLY 2 -4.389 -9.692 5.239
17 HA2 GLY 2 HA2 GLY 2 -1.707 -10.623 5.227
18 HA3 GLY 2 HA3 GLY 2 -2.354 -10.829 3.620
19 H CYS 3 H CYS 3 -2.087 -9.057 2.241
20 HA CYS 3 HA CYS 3 -0.944 -6.576 3.247
21 HB2 CYS 3 HB2 CYS 3 -0.709 -7.595 0.806
22 HB3 CYS 3 HB3 CYS 3 -2.252 -6.812 0.563
23 H TRP 4 H TRP 4 -1.909 -4.504 3.102
24 HA TRP 4 HA TRP 4 -4.584 -4.297 4.255
25 HB2 TRP 4 HB2 TRP 4 -3.154 -2.605 4.981
26 HB3 TRP 4 HB3 TRP 4 -2.370 -2.466 3.437
27 HD1 TRP 4 HD1 TRP 4 -6.172 -1.835 4.020
28 HE1 TRP 4 HE1 TRP 4 -6.658 0.552 3.228
29 HE3 TRP 4 HE3 TRP 4 -1.376 -0.326 3.101
30 HZ2 TRP 4 HZ2 TRP 4 -5.122 2.836 2.328
31 HZ3 TRP 4 HZ3 TRP 4 -0.912 1.978 2.425
32 HH2 TRP 4 HH2 TRP 4 -2.743 3.622 2.145
33 H LYS 5 H LYS 5 -3.249 -3.102 1.162
34 HA LYS 5 HA LYS 5 -6.014 -2.943 0.057
35 HB2 LYS 5 HB2 LYS 5 -5.250 -1.108 -1.269
36 HB3 LYS 5 HB3 LYS 5 -4.783 -0.844 0.398
37 HG2 LYS 5 HG2 LYS 5 -2.829 -0.232 -0.623
38 HG3 LYS 5 HG3 LYS 5 -2.490 -1.933 -0.379
39 HD2 LYS 5 HD2 LYS 5 -1.821 -1.443 -2.562
40 HD3 LYS 5 HD3 LYS 5 -3.306 -2.332 -2.794
41 HE2 LYS 5 HE2 LYS 5 -4.537 -0.381 -3.360
42 HE3 LYS 5 HE3 LYS 5 -3.316 0.684 -2.669
43 HZ1 LYS 5 HZ1 LYS 5 -3.497 -0.056 -5.302
44 HZ2 LYS 5 HZ2 LYS 5 -2.207 -0.904 -4.746
45 HZ3 LYS 5 HZ3 LYS 5 -2.228 0.730 -4.606
46 H CYS 6 H CYS 6 -2.968 -4.508 -0.560
47 HA CYS 6 HA CYS 6 -3.419 -4.991 -3.323
48 HB2 CYS 6 HB2 CYS 6 -1.482 -6.380 -1.467
49 HB3 CYS 6 HB3 CYS 6 -1.415 -6.269 -3.223
50 H GLY 7 H GLY 7 -3.510 -7.084 -0.536
51 HA2 GLY 7 HA2 GLY 7 -5.043 -8.751 0.005
52 HA3 GLY 7 HA3 GLY 7 -5.492 -8.919 -1.705
53 H LYS 8 H LYS 8 -2.158 -9.048 -0.503
54 HA LYS 8 HA LYS 8 -2.037 -11.830 -1.576
55 HB2 LYS 8 HB2 LYS 8 -0.001 -9.663 -2.031
56 HB3 LYS 8 HB3 LYS 8 -0.083 -11.232 -2.831
57 HG2 LYS 8 HG2 LYS 8 -2.255 -10.553 -3.884
58 HG3 LYS 8 HG3 LYS 8 -2.031 -8.914 -3.258
59 HD2 LYS 8 HD2 LYS 8 0.066 -10.282 -4.975
60 HD3 LYS 8 HD3 LYS 8 -1.319 -9.458 -5.671
61 HE2 LYS 8 HE2 LYS 8 0.781 -8.120 -5.641
62 HE3 LYS 8 HE3 LYS 8 -0.637 -7.335 -4.957
63 HZ1 LYS 8 HZ1 LYS 8 0.220 -7.654 -2.771
64 HZ2 LYS 8 HZ2 LYS 8 1.494 -7.100 -3.645
65 HZ3 LYS 8 HZ3 LYS 8 1.405 -8.670 -3.277
66 H GLU 9 H GLU 9 -1.706 -10.838 1.304
67 HA GLU 9 HA GLU 9 -0.263 -11.204 3.117
68 HB2 GLU 9 HB2 GLU 9 0.209 -13.776 1.601
69 HB3 GLU 9 HB3 GLU 9 0.332 -13.517 3.341
70 HG2 GLU 9 HG2 GLU 9 -2.035 -13.120 3.520
71 HG3 GLU 9 HG3 GLU 9 -2.263 -13.231 1.775
72 H GLY 10 H GLY 10 1.204 -9.681 1.093
73 HA2 GLY 10 HA2 GLY 10 3.877 -10.882 0.901
74 HA3 GLY 10 HA3 GLY 10 3.326 -9.384 0.158
75 H HIS 11 H HIS 11 2.328 -8.184 2.522
76 HA HIS 11 HA HIS 11 4.261 -8.008 4.618
77 HB2 HIS 11 HB2 HIS 11 4.877 -5.574 4.110
78 HB3 HIS 11 HB3 HIS 11 5.653 -6.780 3.110
79 HD1 HIS 11 HD1 HIS 11 5.905 -5.682 0.802
80 HD2 HIS 11 HD2 HIS 11 2.291 -4.701 2.705
81 HE1 HIS 11 HE1 HIS 11 4.476 -4.374 -0.872
82 H GLN 12 H GLN 12 3.757 -5.501 5.528
83 HA GLN 12 HA GLN 12 0.791 -5.131 5.726
84 HB2 GLN 12 HB2 GLN 12 2.705 -5.855 7.731
85 HB3 GLN 12 HB3 GLN 12 2.432 -4.143 7.926
86 HG2 GLN 12 HG2 GLN 12 0.016 -4.549 8.255
87 HG3 GLN 12 HG3 GLN 12 0.196 -6.227 7.716
88 HE21 GLN 12 HE21 GLN 12 0.142 -4.226 10.510
89 HE22 GLN 12 HE22 GLN 12 0.795 -5.425 11.612
90 H MET 13 H MET 13 0.379 -2.892 6.676
91 HA MET 13 HA MET 13 0.596 -1.066 4.588
92 HB2 MET 13 HB2 MET 13 0.252 -0.633 7.551
93 HB3 MET 13 HB3 MET 13 -0.020 0.583 6.270
94 HG2 MET 13 HG2 MET 13 -1.821 -0.599 5.363
95 HG3 MET 13 HG3 MET 13 -1.410 -2.050 6.178
96 HE1 MET 13 HE1 MET 13 -3.329 -2.929 7.440
97 HE2 MET 13 HE2 MET 13 -1.917 -2.774 8.503
98 HE3 MET 13 HE3 MET 13 -3.526 -2.329 9.092
99 H LYS 14 H LYS 14 2.828 -1.341 7.317
100 HA LYS 14 HA LYS 14 4.377 0.996 6.801
101 HB2 LYS 14 HB2 LYS 14 4.787 -1.583 8.310
102 HB3 LYS 14 HB3 LYS 14 6.093 -0.402 8.208
103 HG2 LYS 14 HG2 LYS 14 4.865 1.281 9.316
104 HG3 LYS 14 HG3 LYS 14 3.328 0.506 9.038
105 HD2 LYS 14 HD2 LYS 14 4.961 -1.294 10.592
106 HD3 LYS 14 HD3 LYS 14 5.085 0.297 11.303
107 HE2 LYS 14 HE2 LYS 14 3.271 -1.025 12.321
108 HE3 LYS 14 HE3 LYS 14 2.660 0.457 11.578
109 HZ1 LYS 14 HZ1 LYS 14 1.392 -1.669 11.158
110 HZ2 LYS 14 HZ2 LYS 14 2.624 -2.150 10.199
111 HZ3 LYS 14 HZ3 LYS 14 1.724 -0.760 9.849
112 H ASP 15 H ASP 15 4.344 -2.007 5.173
113 HA ASP 15 HA ASP 15 6.790 -1.240 3.610
114 HB2 ASP 15 HB2 ASP 15 5.789 -3.743 4.716
115 HB3 ASP 15 HB3 ASP 15 6.036 -3.842 2.972
116 H CYS 16 H CYS 16 3.337 -1.773 3.395
117 HA CYS 16 HA CYS 16 3.192 -1.995 0.528
118 HB2 CYS 16 HB2 CYS 16 1.575 -2.928 2.255
119 HB3 CYS 16 HB3 CYS 16 1.039 -1.429 2.572
120 H THR 17 H THR 17 2.028 0.518 2.748
121 HA THR 17 HA THR 17 1.079 2.551 2.275
122 HB THR 17 HB THR 17 3.148 3.071 3.189
123 HG1 THR 17 HG1 THR 17 2.505 5.026 2.844
124 HG21 THR 17 HG21 THR 17 5.053 3.835 1.752
125 HG22 THR 17 HG22 THR 17 4.257 3.024 0.398
126 HG23 THR 17 HG23 THR 17 4.786 2.079 1.793
127 H GLU 18 H GLU 18 0.351 0.887 0.185
128 HA GLU 18 HA GLU 18 0.611 2.547 -2.250
129 HB2 GLU 18 HB2 GLU 18 -0.261 -0.240 -1.630
130 HB3 GLU 18 HB3 GLU 18 -0.558 0.459 -3.220
131 HG2 GLU 18 HG2 GLU 18 2.209 0.917 -2.309
132 HG3 GLU 18 HG3 GLU 18 1.788 -0.794 -2.396
133 H ARG 19 H ARG 19 -1.357 3.201 0.035
134 HA ARG 19 HA ARG 19 -3.244 4.372 0.313
135 HB2 ARG 19 HB2 ARG 19 -2.302 5.560 -1.782
136 HB3 ARG 19 HB3 ARG 19 -3.470 4.683 -2.713
137 HG2 ARG 19 HG2 ARG 19 -4.832 5.977 -0.485
138 HG3 ARG 19 HG3 ARG 19 -3.784 7.138 -1.261
139 HD2 ARG 19 HD2 ARG 19 -6.045 7.196 -2.203
140 HD3 ARG 19 HD3 ARG 19 -4.825 6.773 -3.421
141 HE ARG 19 HE ARG 19 -5.984 4.400 -2.248
142 HH11 ARG 19 HH11 ARG 19 -6.925 7.019 -4.436
143 HH12 ARG 19 HH12 ARG 19 -7.918 5.939 -5.390
144 HH21 ARG 19 HH21 ARG 19 -7.143 3.081 -3.694
145 HH22 ARG 19 HH22 ARG 19 -7.996 3.834 -5.022
146 H5' DT 20 H5' DT 20 11.373 1.880 2.117
147 H5'' DT 20 H5'' DT 20 9.703 2.204 2.557
148 H4' DT 20 H4' DT 20 10.949 4.216 1.855
149 H3' DT 20 H3' DT 20 8.317 3.562 0.978
150 H2' DT 20 H2' DT 20 9.035 3.322 -1.278
151 H2'' DT 20 H2'' DT 20 8.709 5.095 -1.250
152 H1' DT 20 H1' DT 20 11.022 5.532 -0.562
153 H3 DT 20 H3 DT 20 12.050 6.315 -4.890
154 H71 DT 20 H71 DT 20 13.529 1.708 -4.957
155 H72 DT 20 H72 DT 20 11.900 1.559 -5.614
156 H73 DT 20 H73 DT 20 12.253 0.941 -3.988
157 H6 DT 20 H6 DT 20 11.487 2.299 -2.286
158 HO5' DT 20 HO5' DT 20 9.771 0.332 1.336
159 H5' DA 21 H5' DA 21 8.040 7.369 -0.852
160 H5'' DA 21 H5'' DA 21 6.959 8.307 0.168
161 H4' DA 21 H4' DA 21 6.035 8.582 -1.890
162 H3' DA 21 H3' DA 21 4.520 6.484 -0.385
163 H2' DA 21 H2' DA 21 3.335 5.794 -2.312
164 H2'' DA 21 H2'' DA 21 3.668 7.248 -3.176
165 H1' DA 21 H1' DA 21 5.270 6.020 -4.246
166 H8 DA 21 H8 DA 21 3.891 4.017 -1.638
167 H61 DA 21 H61 DA 21 8.328 -0.239 -2.745
168 H62 DA 21 H62 DA 21 6.753 0.020 -2.006
169 H2 DA 21 H2 DA 21 9.402 3.363 -4.935
170 H5' DC 22 H5' DC 22 0.990 9.307 -0.534
171 H5'' DC 22 H5'' DC 22 1.419 10.711 0.403
172 H4' DC 22 H4' DC 22 -0.302 10.501 1.786
173 H3' DC 22 H3' DC 22 0.827 8.341 2.876
174 H2' DC 22 H2' DC 22 0.295 6.578 1.512
175 H2'' DC 22 H2'' DC 22 -1.314 6.658 2.239
176 H1' DC 22 H1' DC 22 -2.261 7.429 0.337
177 H41 DC 22 H41 DC 22 0.841 7.092 -5.321
178 H42 DC 22 H42 DC 22 1.497 5.592 -4.646
179 H5 DC 22 H5 DC 22 1.268 4.961 -2.414
180 H6 DC 22 H6 DC 22 0.449 5.606 -0.243
181 H5' DG 23 H5' DG 23 -2.428 6.857 4.086
182 H5'' DG 23 H5'' DG 23 -2.864 6.816 5.783
183 H4' DG 23 H4' DG 23 -2.646 4.591 4.484
184 H3' DG 23 H3' DG 23 -1.229 4.969 7.111
185 H2' DG 23 H2' DG 23 -0.347 2.827 6.911
186 H2'' DG 23 H2'' DG 23 -1.503 2.250 5.723
187 H1' DG 23 H1' DG 23 -0.079 2.909 4.044
188 H8 DG 23 H8 DG 23 1.645 1.905 6.410
189 H1 DG 23 H1 DG 23 5.193 7.058 4.888
190 H21 DG 23 H21 DG 23 4.100 8.148 3.249
191 H22 DG 23 H22 DG 23 2.418 7.889 3.030
192 H5' DC 24 H5' DC 24 -6.711 4.350 5.811
193 H5'' DC 24 H5'' DC 24 -5.230 3.445 5.456
194 H4' DC 24 H4' DC 24 -4.730 4.668 3.548
195 H3' DC 24 H3' DC 24 -6.819 6.728 4.279
196 H2' DC 24 H2' DC 24 -6.629 7.290 1.903
197 H2'' DC 24 H2'' DC 24 -5.145 6.322 1.758
198 H1' DC 24 H1' DC 24 -6.436 4.546 1.246
199 H41 DC 24 H41 DC 24 -12.625 6.712 1.280
200 H42 DC 24 H42 DC 24 -12.173 6.806 -0.422
201 H5 DC 24 H5 DC 24 -9.923 6.333 -1.152
202 H6 DC 24 H6 DC 24 -7.689 5.706 -0.376
203 H5' DC 25 H5' DC 25 -6.904 10.911 5.028
204 H5'' DC 25 H5'' DC 25 -7.716 9.510 5.754
205 H4' DC 25 H4' DC 25 -9.402 10.672 4.543
206 H3' DC 25 H3' DC 25 -8.417 8.228 3.053
207 HO3' DC 25 HO3' DC 25 -10.293 7.399 3.804
208 H2' DC 25 H2' DC 25 -9.628 8.730 1.197
209 H2'' DC 25 H2'' DC 25 -10.821 9.737 2.086
210 H1' DC 25 H1' DC 25 -9.618 11.523 1.330
211 H41 DC 25 H41 DC 25 -5.908 9.669 -3.368
212 H42 DC 25 H42 DC 25 -4.480 9.567 -2.324
213 H5 DC 25 H5 DC 25 -4.764 9.549 0.117
214 H6 DC 25 H6 DC 25 -6.385 9.972 1.918
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -7.245 -11.026 3.252
2 H2 LYS 1 H2 LYS 1 -8.066 -11.869 4.382
3 H3 LYS 1 H3 LYS 1 -7.038 -12.659 3.359
4 HA LYS 1 HA LYS 1 -6.293 -10.623 5.348
5 HB2 LYS 1 HB2 LYS 1 -5.378 -12.278 6.768
6 HB3 LYS 1 HB3 LYS 1 -7.044 -12.722 6.406
7 HG2 LYS 1 HG2 LYS 1 -6.039 -14.293 4.594
8 HG3 LYS 1 HG3 LYS 1 -4.480 -14.002 5.371
9 HD2 LYS 1 HD2 LYS 1 -6.984 -15.184 6.647
10 HD3 LYS 1 HD3 LYS 1 -5.544 -16.075 6.193
11 HE2 LYS 1 HE2 LYS 1 -5.662 -13.917 8.362
12 HE3 LYS 1 HE3 LYS 1 -5.760 -15.653 8.634
13 HZ1 LYS 1 HZ1 LYS 1 -3.541 -15.139 8.977
14 HZ2 LYS 1 HZ2 LYS 1 -3.399 -14.154 7.660
15 HZ3 LYS 1 HZ3 LYS 1 -3.522 -15.763 7.458
16 H GLY 2 H GLY 2 -4.045 -10.133 5.569
17 HA2 GLY 2 HA2 GLY 2 -1.752 -10.761 4.584
18 HA3 GLY 2 HA3 GLY 2 -2.560 -10.622 3.025
19 H CYS 3 H CYS 3 -1.846 -8.829 2.041
20 HA CYS 3 HA CYS 3 -0.895 -6.453 3.304
21 HB2 CYS 3 HB2 CYS 3 -0.954 -7.451 0.737
22 HB3 CYS 3 HB3 CYS 3 -2.175 -6.185 0.649
23 H TRP 4 H TRP 4 -1.854 -4.435 3.467
24 HA TRP 4 HA TRP 4 -4.542 -4.243 4.444
25 HB2 TRP 4 HB2 TRP 4 -3.117 -2.610 5.268
26 HB3 TRP 4 HB3 TRP 4 -2.263 -2.449 3.769
27 HD1 TRP 4 HD1 TRP 4 -5.971 -1.565 4.670
28 HE1 TRP 4 HE1 TRP 4 -6.355 0.836 3.846
29 HE3 TRP 4 HE3 TRP 4 -1.277 -0.580 2.921
30 HZ2 TRP 4 HZ2 TRP 4 -4.711 2.993 2.821
31 HZ3 TRP 4 HZ3 TRP 4 -0.733 1.611 2.033
32 HH2 TRP 4 HH2 TRP 4 -2.414 3.444 1.954
33 H LYS 5 H LYS 5 -3.184 -3.033 1.344
34 HA LYS 5 HA LYS 5 -5.960 -2.814 0.271
35 HB2 LYS 5 HB2 LYS 5 -5.255 -1.169 -1.224
36 HB3 LYS 5 HB3 LYS 5 -4.639 -0.769 0.366
37 HG2 LYS 5 HG2 LYS 5 -2.725 -0.343 -0.741
38 HG3 LYS 5 HG3 LYS 5 -2.476 -2.068 -0.575
39 HD2 LYS 5 HD2 LYS 5 -2.005 -1.718 -2.819
40 HD3 LYS 5 HD3 LYS 5 -3.681 -2.248 -2.922
41 HE2 LYS 5 HE2 LYS 5 -4.460 0.038 -3.230
42 HE3 LYS 5 HE3 LYS 5 -2.916 0.690 -2.701
43 HZ1 LYS 5 HZ1 LYS 5 -2.945 0.846 -5.050
44 HZ2 LYS 5 HZ2 LYS 5 -3.385 -0.716 -5.268
45 HZ3 LYS 5 HZ3 LYS 5 -1.903 -0.380 -4.713
46 H CYS 6 H CYS 6 -2.815 -4.249 -0.583
47 HA CYS 6 HA CYS 6 -3.519 -5.093 -3.108
48 HB2 CYS 6 HB2 CYS 6 -1.439 -6.502 -1.434
49 HB3 CYS 6 HB3 CYS 6 -1.423 -6.087 -3.144
50 H GLY 7 H GLY 7 -3.416 -7.104 -0.166
51 HA2 GLY 7 HA2 GLY 7 -4.918 -8.808 0.452
52 HA3 GLY 7 HA3 GLY 7 -5.546 -8.825 -1.203
53 H LYS 8 H LYS 8 -2.177 -9.250 -0.163
54 HA LYS 8 HA LYS 8 -2.163 -11.997 -1.356
55 HB2 LYS 8 HB2 LYS 8 -0.079 -9.867 -1.818
56 HB3 LYS 8 HB3 LYS 8 -0.221 -11.419 -2.640
57 HG2 LYS 8 HG2 LYS 8 -2.357 -10.703 -3.672
58 HG3 LYS 8 HG3 LYS 8 -2.160 -9.082 -2.985
59 HD2 LYS 8 HD2 LYS 8 0.044 -10.318 -4.641
60 HD3 LYS 8 HD3 LYS 8 -1.373 -9.621 -5.416
61 HE2 LYS 8 HE2 LYS 8 0.451 -8.014 -5.368
62 HE3 LYS 8 HE3 LYS 8 -0.947 -7.444 -4.471
63 HZ1 LYS 8 HZ1 LYS 8 1.485 -8.662 -3.216
64 HZ2 LYS 8 HZ2 LYS 8 0.215 -8.050 -2.403
65 HZ3 LYS 8 HZ3 LYS 8 1.178 -7.065 -3.268
66 H GLU 9 H GLU 9 -1.593 -10.960 1.552
67 HA GLU 9 HA GLU 9 -0.016 -11.277 3.256
68 HB2 GLU 9 HB2 GLU 9 0.110 -13.900 1.741
69 HB3 GLU 9 HB3 GLU 9 0.763 -13.663 3.358
70 HG2 GLU 9 HG2 GLU 9 -1.327 -13.384 4.352
71 HG3 GLU 9 HG3 GLU 9 -2.114 -12.931 2.847
72 H GLY 10 H GLY 10 1.162 -9.678 1.247
73 HA2 GLY 10 HA2 GLY 10 3.874 -10.673 0.763
74 HA3 GLY 10 HA3 GLY 10 3.194 -9.150 0.226
75 H HIS 11 H HIS 11 2.345 -8.029 2.569
76 HA HIS 11 HA HIS 11 4.316 -7.980 4.671
77 HB2 HIS 11 HB2 HIS 11 4.963 -5.537 4.149
78 HB3 HIS 11 HB3 HIS 11 5.722 -6.788 3.182
79 HD1 HIS 11 HD1 HIS 11 5.753 -6.127 0.684
80 HD2 HIS 11 HD2 HIS 11 2.444 -4.650 2.829
81 HE1 HIS 11 HE1 HIS 11 4.343 -4.690 -0.935
82 H GLN 12 H GLN 12 3.933 -5.495 5.668
83 HA GLN 12 HA GLN 12 0.985 -5.102 6.161
84 HB2 GLN 12 HB2 GLN 12 3.069 -5.814 7.953
85 HB3 GLN 12 HB3 GLN 12 2.957 -4.068 8.104
86 HG2 GLN 12 HG2 GLN 12 0.519 -4.313 8.623
87 HG3 GLN 12 HG3 GLN 12 0.632 -6.054 8.339
88 HE21 GLN 12 HE21 GLN 12 1.877 -3.419 10.449
89 HE22 GLN 12 HE22 GLN 12 2.172 -4.506 11.824
90 H MET 13 H MET 13 0.715 -2.795 7.137
91 HA MET 13 HA MET 13 0.698 -1.325 4.722
92 HB2 MET 13 HB2 MET 13 0.330 -0.020 7.420
93 HB3 MET 13 HB3 MET 13 -0.383 0.378 5.841
94 HG2 MET 13 HG2 MET 13 -2.161 -0.745 6.705
95 HG3 MET 13 HG3 MET 13 -1.307 -2.029 5.962
96 HE1 MET 13 HE1 MET 13 -3.605 -2.493 8.009
97 HE2 MET 13 HE2 MET 13 -2.656 -3.847 7.403
98 HE3 MET 13 HE3 MET 13 -2.950 -3.683 9.143
99 H LYS 14 H LYS 14 2.968 -1.121 7.417
100 HA LYS 14 HA LYS 14 4.492 1.148 6.540
101 HB2 LYS 14 HB2 LYS 14 5.200 -1.353 8.143
102 HB3 LYS 14 HB3 LYS 14 6.298 0.000 7.964
103 HG2 LYS 14 HG2 LYS 14 3.525 0.132 9.207
104 HG3 LYS 14 HG3 LYS 14 5.011 -0.008 10.123
105 HD2 LYS 14 HD2 LYS 14 5.622 2.185 9.810
106 HD3 LYS 14 HD3 LYS 14 4.888 2.329 8.229
107 HE2 LYS 14 HE2 LYS 14 3.342 2.235 10.850
108 HE3 LYS 14 HE3 LYS 14 3.761 3.694 9.940
109 HZ1 LYS 14 HZ1 LYS 14 2.530 2.612 8.040
110 HZ2 LYS 14 HZ2 LYS 14 1.604 3.156 9.257
111 HZ3 LYS 14 HZ3 LYS 14 1.869 1.568 9.174
112 H ASP 15 H ASP 15 4.308 -1.951 5.048
113 HA ASP 15 HA ASP 15 6.662 -1.174 3.388
114 HB2 ASP 15 HB2 ASP 15 5.957 -3.661 4.758
115 HB3 ASP 15 HB3 ASP 15 6.393 -3.879 3.063
116 H CYS 16 H CYS 16 3.364 -1.609 3.360
117 HA CYS 16 HA CYS 16 3.151 -2.060 0.494
118 HB2 CYS 16 HB2 CYS 16 1.531 -3.066 2.096
119 HB3 CYS 16 HB3 CYS 16 1.134 -1.564 2.675
120 H THR 17 H THR 17 1.989 0.442 2.704
121 HA THR 17 HA THR 17 1.257 2.519 2.443
122 HB THR 17 HB THR 17 2.771 4.122 2.359
123 HG1 THR 17 HG1 THR 17 4.708 3.976 1.085
124 HG21 THR 17 HG21 THR 17 4.657 1.761 2.261
125 HG22 THR 17 HG22 THR 17 3.671 2.182 3.688
126 HG23 THR 17 HG23 THR 17 4.894 3.304 3.121
127 H GLU 18 H GLU 18 0.546 0.713 0.012
128 HA GLU 18 HA GLU 18 0.771 2.517 -2.135
129 HB2 GLU 18 HB2 GLU 18 -0.642 -0.143 -1.874
130 HB3 GLU 18 HB3 GLU 18 -0.553 0.693 -3.419
131 HG2 GLU 18 HG2 GLU 18 1.791 -0.261 -1.832
132 HG3 GLU 18 HG3 GLU 18 1.071 -1.122 -3.159
133 H ARG 19 H ARG 19 -1.749 2.688 0.075
134 HA ARG 19 HA ARG 19 -3.807 3.706 0.167
135 HB2 ARG 19 HB2 ARG 19 -2.547 5.366 -1.335
136 HB3 ARG 19 HB3 ARG 19 -3.454 4.694 -2.673
137 HG2 ARG 19 HG2 ARG 19 -5.563 5.376 -1.491
138 HG3 ARG 19 HG3 ARG 19 -4.547 6.112 -0.239
139 HD2 ARG 19 HD2 ARG 19 -4.372 7.978 -1.468
140 HD3 ARG 19 HD3 ARG 19 -3.526 7.088 -2.726
141 HE ARG 19 HE ARG 19 -6.239 8.086 -2.754
142 HH11 ARG 19 HH11 ARG 19 -4.101 5.718 -4.358
143 HH12 ARG 19 HH12 ARG 19 -5.090 5.747 -5.775
144 HH21 ARG 19 HH21 ARG 19 -7.459 7.899 -4.546
145 HH22 ARG 19 HH22 ARG 19 -7.041 6.733 -5.796
146 H5' DT 20 H5' DT 20 10.095 1.262 1.993
147 H5'' DT 20 H5'' DT 20 8.423 1.830 1.996
148 H4' DT 20 H4' DT 20 10.230 3.577 1.534
149 H3' DT 20 H3' DT 20 7.642 3.289 0.281
150 H2' DT 20 H2' DT 20 8.495 3.137 -1.858
151 H2'' DT 20 H2'' DT 20 8.672 4.912 -1.689
152 H1' DT 20 H1' DT 20 10.970 4.683 -0.963
153 H3 DT 20 H3 DT 20 13.199 1.510 -4.212
154 H71 DT 20 H71 DT 20 9.937 3.734 -6.948
155 H72 DT 20 H72 DT 20 11.026 5.102 -6.684
156 H73 DT 20 H73 DT 20 9.433 5.077 -5.897
157 H6 DT 20 H6 DT 20 9.718 4.787 -3.655
158 HO5' DT 20 HO5' DT 20 8.666 -0.134 0.788
159 H5' DA 21 H5' DA 21 7.682 7.337 -1.341
160 H5'' DA 21 H5'' DA 21 6.520 8.124 -0.271
161 H4' DA 21 H4' DA 21 5.664 8.503 -2.388
162 H3' DA 21 H3' DA 21 4.185 6.387 -0.869
163 H2' DA 21 H2' DA 21 2.966 5.667 -2.748
164 H2'' DA 21 H2'' DA 21 3.236 7.153 -3.604
165 H1' DA 21 H1' DA 21 4.850 5.903 -4.741
166 H8 DA 21 H8 DA 21 3.989 4.305 -1.499
167 H61 DA 21 H61 DA 21 7.163 -0.650 -3.505
168 H62 DA 21 H62 DA 21 6.136 0.013 -2.223
169 H2 DA 21 H2 DA 21 7.884 2.611 -6.330
170 H5' DC 22 H5' DC 22 0.821 9.980 -0.655
171 H5'' DC 22 H5'' DC 22 1.299 10.615 0.915
172 H4' DC 22 H4' DC 22 -0.825 10.366 1.441
173 H3' DC 22 H3' DC 22 0.320 8.083 2.446
174 H2' DC 22 H2' DC 22 -0.203 6.395 0.977
175 H2'' DC 22 H2'' DC 22 -1.880 6.592 1.478
176 H1' DC 22 H1' DC 22 -2.460 7.477 -0.490
177 H41 DC 22 H41 DC 22 1.018 6.949 -5.810
178 H42 DC 22 H42 DC 22 0.967 5.253 -5.305
179 H5 DC 22 H5 DC 22 0.630 4.643 -3.014
180 H6 DC 22 H6 DC 22 -0.266 5.402 -0.893
181 H5' DG 23 H5' DG 23 -3.030 6.821 3.661
182 H5'' DG 23 H5'' DG 23 -3.332 6.711 5.382
183 H4' DG 23 H4' DG 23 -3.099 4.600 3.830
184 H3' DG 23 H3' DG 23 -2.158 4.862 6.644
185 H2' DG 23 H2' DG 23 -1.009 2.869 6.580
186 H2'' DG 23 H2'' DG 23 -1.966 2.166 5.271
187 H1' DG 23 H1' DG 23 -0.450 2.889 3.765
188 H8 DG 23 H8 DG 23 1.097 1.897 6.128
189 H1 DG 23 H1 DG 23 4.642 7.068 4.720
190 H21 DG 23 H21 DG 23 3.344 8.644 3.985
191 H22 DG 23 H22 DG 23 1.604 8.382 3.825
192 H5' DC 24 H5' DC 24 -5.263 6.907 4.780
193 H5'' DC 24 H5'' DC 24 -6.940 6.463 4.988
194 H4' DC 24 H4' DC 24 -5.669 7.089 2.586
195 H3' DC 24 H3' DC 24 -8.213 5.621 3.145
196 H2' DC 24 H2' DC 24 -8.442 5.288 0.754
197 H2'' DC 24 H2'' DC 24 -7.132 6.425 0.484
198 H1' DC 24 H1' DC 24 -5.989 4.348 0.402
199 H41 DC 24 H41 DC 24 -10.165 -0.216 1.356
200 H42 DC 24 H42 DC 24 -10.052 -0.164 3.100
201 H5 DC 24 H5 DC 24 -8.440 1.396 4.184
202 H6 DC 24 H6 DC 24 -6.970 3.334 3.758
203 H5' DC 25 H5' DC 25 -10.965 7.841 5.020
204 H5'' DC 25 H5'' DC 25 -9.277 7.351 4.999
205 H4' DC 25 H4' DC 25 -10.689 6.081 6.619
206 H3' DC 25 H3' DC 25 -9.268 4.637 4.358
207 HO3' DC 25 HO3' DC 25 -7.878 4.167 6.269
208 H2' DC 25 H2' DC 25 -10.098 2.586 5.282
209 H2'' DC 25 H2'' DC 25 -10.428 3.341 6.860
210 H1' DC 25 H1' DC 25 -12.580 3.591 6.139
211 H41 DC 25 H41 DC 25 -13.816 0.305 0.910
212 H42 DC 25 H42 DC 25 -13.136 1.574 -0.122
213 H5 DC 25 H5 DC 25 -11.889 3.411 0.754
214 H6 DC 25 H6 DC 25 -11.283 4.599 2.806
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -7.064 -10.172 3.631
2 H2 LYS 1 H2 LYS 1 -8.175 -10.928 4.577
3 H3 LYS 1 H3 LYS 1 -7.549 -11.697 3.266
4 HA LYS 1 HA LYS 1 -6.170 -10.984 5.770
5 HB2 LYS 1 HB2 LYS 1 -6.554 -13.685 4.418
6 HB3 LYS 1 HB3 LYS 1 -5.614 -13.413 5.870
7 HG2 LYS 1 HG2 LYS 1 -8.599 -12.790 5.698
8 HG3 LYS 1 HG3 LYS 1 -7.944 -14.351 6.197
9 HD2 LYS 1 HD2 LYS 1 -6.814 -13.362 8.113
10 HD3 LYS 1 HD3 LYS 1 -7.244 -11.737 7.593
11 HE2 LYS 1 HE2 LYS 1 -8.659 -12.438 9.427
12 HE3 LYS 1 HE3 LYS 1 -9.629 -12.179 7.972
13 HZ1 LYS 1 HZ1 LYS 1 -9.850 -14.536 7.706
14 HZ2 LYS 1 HZ2 LYS 1 -10.089 -14.289 9.306
15 HZ3 LYS 1 HZ3 LYS 1 -8.663 -14.862 8.788
16 H GLY 2 H GLY 2 -4.061 -10.592 5.749
17 HA2 GLY 2 HA2 GLY 2 -1.815 -10.925 4.754
18 HA3 GLY 2 HA3 GLY 2 -2.567 -10.823 3.159
19 H CYS 3 H CYS 3 -2.030 -8.979 2.189
20 HA CYS 3 HA CYS 3 -1.087 -6.629 3.479
21 HB2 CYS 3 HB2 CYS 3 -1.356 -7.557 0.838
22 HB3 CYS 3 HB3 CYS 3 -2.445 -6.163 0.943
23 H TRP 4 H TRP 4 -2.038 -4.776 4.006
24 HA TRP 4 HA TRP 4 -4.724 -4.284 4.724
25 HB2 TRP 4 HB2 TRP 4 -2.952 -2.853 5.479
26 HB3 TRP 4 HB3 TRP 4 -2.307 -2.694 3.892
27 HD1 TRP 4 HD1 TRP 4 -5.765 -1.607 5.375
28 HE1 TRP 4 HE1 TRP 4 -6.093 0.849 4.683
29 HE3 TRP 4 HE3 TRP 4 -1.307 -0.843 3.017
30 HZ2 TRP 4 HZ2 TRP 4 -4.623 2.828 3.196
31 HZ3 TRP 4 HZ3 TRP 4 -0.785 1.313 2.014
32 HH2 TRP 4 HH2 TRP 4 -2.447 3.178 2.030
33 H LYS 5 H LYS 5 -3.095 -3.161 1.716
34 HA LYS 5 HA LYS 5 -5.766 -2.800 0.449
35 HB2 LYS 5 HB2 LYS 5 -4.930 -1.032 -0.768
36 HB3 LYS 5 HB3 LYS 5 -4.240 -0.845 0.826
37 HG2 LYS 5 HG2 LYS 5 -2.401 -0.368 -0.449
38 HG3 LYS 5 HG3 LYS 5 -2.176 -2.090 -0.216
39 HD2 LYS 5 HD2 LYS 5 -1.663 -1.576 -2.504
40 HD3 LYS 5 HD3 LYS 5 -3.169 -2.466 -2.533
41 HE2 LYS 5 HE2 LYS 5 -4.466 -0.435 -2.804
42 HE3 LYS 5 HE3 LYS 5 -3.043 0.567 -2.591
43 HZ1 LYS 5 HZ1 LYS 5 -2.147 -0.356 -4.660
44 HZ2 LYS 5 HZ2 LYS 5 -3.631 0.293 -4.922
45 HZ3 LYS 5 HZ3 LYS 5 -3.439 -1.332 -4.830
46 H CYS 6 H CYS 6 -2.633 -4.353 -0.255
47 HA CYS 6 HA CYS 6 -3.216 -4.884 -2.961
48 HB2 CYS 6 HB2 CYS 6 -1.339 -6.541 -1.243
49 HB3 CYS 6 HB3 CYS 6 -1.259 -6.217 -2.961
50 H GLY 7 H GLY 7 -3.225 -7.115 -0.223
51 HA2 GLY 7 HA2 GLY 7 -4.951 -8.599 0.361
52 HA3 GLY 7 HA3 GLY 7 -5.458 -8.703 -1.327
53 H LYS 8 H LYS 8 -2.070 -9.070 -0.494
54 HA LYS 8 HA LYS 8 -2.255 -11.899 -1.422
55 HB2 LYS 8 HB2 LYS 8 -0.051 -9.934 -2.013
56 HB3 LYS 8 HB3 LYS 8 -0.339 -11.482 -2.796
57 HG2 LYS 8 HG2 LYS 8 -2.436 -10.652 -3.770
58 HG3 LYS 8 HG3 LYS 8 -2.166 -9.049 -3.073
59 HD2 LYS 8 HD2 LYS 8 -0.094 -10.302 -4.897
60 HD3 LYS 8 HD3 LYS 8 -1.530 -9.513 -5.544
61 HE2 LYS 8 HE2 LYS 8 0.358 -7.978 -5.531
62 HE3 LYS 8 HE3 LYS 8 -0.971 -7.401 -4.533
63 HZ1 LYS 8 HZ1 LYS 8 1.214 -7.149 -3.420
64 HZ2 LYS 8 HZ2 LYS 8 1.449 -8.767 -3.468
65 HZ3 LYS 8 HZ3 LYS 8 0.245 -8.139 -2.567
66 H GLU 9 H GLU 9 -1.460 -10.612 1.394
67 HA GLU 9 HA GLU 9 -0.040 -11.113 3.128
68 HB2 GLU 9 HB2 GLU 9 0.235 -13.788 1.752
69 HB3 GLU 9 HB3 GLU 9 0.643 -13.435 3.422
70 HG2 GLU 9 HG2 GLU 9 -1.577 -13.182 4.088
71 HG3 GLU 9 HG3 GLU 9 -2.165 -12.831 2.464
72 H GLY 10 H GLY 10 1.189 -9.722 0.903
73 HA2 GLY 10 HA2 GLY 10 3.934 -10.737 0.685
74 HA3 GLY 10 HA3 GLY 10 3.288 -9.239 -0.009
75 H HIS 11 H HIS 11 2.250 -7.964 2.242
76 HA HIS 11 HA HIS 11 4.219 -7.851 4.370
77 HB2 HIS 11 HB2 HIS 11 4.755 -5.413 3.876
78 HB3 HIS 11 HB3 HIS 11 5.495 -6.594 2.834
79 HD1 HIS 11 HD1 HIS 11 5.485 -5.711 0.433
80 HD2 HIS 11 HD2 HIS 11 2.086 -4.637 2.626
81 HE1 HIS 11 HE1 HIS 11 3.997 -4.316 -1.129
82 H GLN 12 H GLN 12 3.872 -5.530 5.454
83 HA GLN 12 HA GLN 12 1.008 -5.032 6.163
84 HB2 GLN 12 HB2 GLN 12 3.632 -5.221 7.564
85 HB3 GLN 12 HB3 GLN 12 2.788 -3.752 7.914
86 HG2 GLN 12 HG2 GLN 12 0.867 -4.984 8.782
87 HG3 GLN 12 HG3 GLN 12 1.471 -6.505 8.098
88 HE21 GLN 12 HE21 GLN 12 1.897 -4.139 10.708
89 HE22 GLN 12 HE22 GLN 12 3.074 -5.103 11.601
90 H MET 13 H MET 13 0.532 -2.866 6.795
91 HA MET 13 HA MET 13 0.470 -1.065 4.680
92 HB2 MET 13 HB2 MET 13 0.465 -0.415 7.648
93 HB3 MET 13 HB3 MET 13 -0.238 0.551 6.332
94 HG2 MET 13 HG2 MET 13 -2.045 -0.752 6.068
95 HG3 MET 13 HG3 MET 13 -1.242 -2.181 6.538
96 HE1 MET 13 HE1 MET 13 -3.828 0.410 9.163
97 HE2 MET 13 HE2 MET 13 -2.740 1.192 8.000
98 HE3 MET 13 HE3 MET 13 -3.975 0.038 7.438
99 H LYS 14 H LYS 14 2.951 -1.192 7.190
100 HA LYS 14 HA LYS 14 4.278 1.275 6.479
101 HB2 LYS 14 HB2 LYS 14 4.817 -1.136 8.206
102 HB3 LYS 14 HB3 LYS 14 6.127 -0.024 7.906
103 HG2 LYS 14 HG2 LYS 14 5.147 1.706 9.109
104 HG3 LYS 14 HG3 LYS 14 3.490 1.189 8.763
105 HD2 LYS 14 HD2 LYS 14 5.361 -0.437 10.501
106 HD3 LYS 14 HD3 LYS 14 4.340 0.842 11.181
107 HE2 LYS 14 HE2 LYS 14 3.281 -1.535 9.578
108 HE3 LYS 14 HE3 LYS 14 3.408 -1.508 11.334
109 HZ1 LYS 14 HZ1 LYS 14 1.898 0.269 11.462
110 HZ2 LYS 14 HZ2 LYS 14 1.196 -0.895 10.543
111 HZ3 LYS 14 HZ3 LYS 14 1.769 0.500 9.852
112 H ASP 15 H ASP 15 4.474 -1.913 5.213
113 HA ASP 15 HA ASP 15 6.871 -1.205 3.553
114 HB2 ASP 15 HB2 ASP 15 5.616 -3.661 4.600
115 HB3 ASP 15 HB3 ASP 15 6.269 -3.787 2.958
116 H CYS 16 H CYS 16 3.465 -1.682 3.414
117 HA CYS 16 HA CYS 16 3.179 -1.943 0.573
118 HB2 CYS 16 HB2 CYS 16 1.693 -2.787 2.514
119 HB3 CYS 16 HB3 CYS 16 1.108 -1.266 2.666
120 H THR 17 H THR 17 1.912 0.551 2.716
121 HA THR 17 HA THR 17 1.246 2.680 2.412
122 HB THR 17 HB THR 17 2.894 4.270 1.938
123 HG1 THR 17 HG1 THR 17 3.946 2.360 0.166
124 HG21 THR 17 HG21 THR 17 4.905 3.526 2.966
125 HG22 THR 17 HG22 THR 17 4.607 1.839 2.487
126 HG23 THR 17 HG23 THR 17 3.586 2.594 3.727
127 H GLU 18 H GLU 18 0.588 0.697 0.095
128 HA GLU 18 HA GLU 18 0.861 2.426 -2.174
129 HB2 GLU 18 HB2 GLU 18 0.165 -0.450 -1.736
130 HB3 GLU 18 HB3 GLU 18 -0.212 0.237 -3.302
131 HG2 GLU 18 HG2 GLU 18 2.524 0.847 -2.347
132 HG3 GLU 18 HG3 GLU 18 2.199 -0.866 -2.591
133 H ARG 19 H ARG 19 -1.552 2.602 -0.075
134 HA ARG 19 HA ARG 19 -3.551 3.512 0.084
135 HB2 ARG 19 HB2 ARG 19 -3.971 5.179 -1.249
136 HB3 ARG 19 HB3 ARG 19 -2.578 4.667 -2.191
137 HG2 ARG 19 HG2 ARG 19 -4.082 3.247 -3.577
138 HG3 ARG 19 HG3 ARG 19 -5.457 4.070 -2.788
139 HD2 ARG 19 HD2 ARG 19 -4.775 6.174 -3.809
140 HD3 ARG 19 HD3 ARG 19 -3.301 5.402 -4.452
141 HE ARG 19 HE ARG 19 -5.649 3.923 -5.219
142 HH11 ARG 19 HH11 ARG 19 -3.858 6.825 -6.215
143 HH12 ARG 19 HH12 ARG 19 -4.259 6.551 -7.878
144 HH21 ARG 19 HH21 ARG 19 -6.218 3.778 -7.331
145 HH22 ARG 19 HH22 ARG 19 -5.575 4.920 -8.489
146 H5' DT 20 H5' DT 20 9.884 2.999 3.404
147 H5'' DT 20 H5'' DT 20 8.168 3.358 3.617
148 H4' DT 20 H4' DT 20 9.307 5.020 2.184
149 H3' DT 20 H3' DT 20 6.923 3.569 1.435
150 H2' DT 20 H2' DT 20 7.609 2.842 -0.568
151 H2'' DT 20 H2'' DT 20 7.497 4.526 -1.135
152 H1' DT 20 H1' DT 20 9.789 4.916 -0.788
153 H3 DT 20 H3 DT 20 11.453 2.930 -4.431
154 H71 DT 20 H71 DT 20 11.133 -1.310 -2.130
155 H72 DT 20 H72 DT 20 10.977 -0.779 -0.441
156 H73 DT 20 H73 DT 20 12.532 -0.630 -1.296
157 H6 DT 20 H6 DT 20 10.069 1.318 -0.101
158 HO5' DT 20 HO5' DT 20 8.921 1.063 3.078
159 H5' DA 21 H5' DA 21 7.278 8.603 -1.974
160 H5'' DA 21 H5'' DA 21 6.082 8.982 -0.726
161 H4' DA 21 H4' DA 21 5.011 9.021 -2.889
162 H3' DA 21 H3' DA 21 4.197 6.805 -1.003
163 H2' DA 21 H2' DA 21 2.728 5.943 -2.651
164 H2'' DA 21 H2'' DA 21 2.850 7.354 -3.652
165 H1' DA 21 H1' DA 21 4.406 6.089 -4.772
166 H8 DA 21 H8 DA 21 3.556 4.371 -1.738
167 H61 DA 21 H61 DA 21 7.787 0.079 -3.481
168 H62 DA 21 H62 DA 21 6.393 0.334 -2.422
169 H2 DA 21 H2 DA 21 8.570 3.650 -5.753
170 H5' DC 22 H5' DC 22 0.244 9.350 -0.918
171 H5'' DC 22 H5'' DC 22 0.643 10.557 0.288
172 H4' DC 22 H4' DC 22 -1.263 10.216 1.292
173 H3' DC 22 H3' DC 22 0.023 8.032 2.368
174 H2' DC 22 H2' DC 22 -0.701 6.169 1.226
175 H2'' DC 22 H2'' DC 22 -2.326 6.516 1.818
176 H1' DC 22 H1' DC 22 -3.052 7.150 -0.211
177 H41 DC 22 H41 DC 22 0.164 6.639 -5.677
178 H42 DC 22 H42 DC 22 1.153 5.356 -4.939
179 H5 DC 22 H5 DC 22 0.886 4.769 -2.601
180 H6 DC 22 H6 DC 22 -0.102 5.493 -0.511
181 H5' DG 23 H5' DG 23 -3.211 6.590 3.929
182 H5'' DG 23 H5'' DG 23 -3.249 6.470 5.691
183 H4' DG 23 H4' DG 23 -3.154 4.383 3.956
184 H3' DG 23 H3' DG 23 -2.270 4.557 6.800
185 H2' DG 23 H2' DG 23 -1.035 2.628 6.700
186 H2'' DG 23 H2'' DG 23 -1.929 1.909 5.360
187 H1' DG 23 H1' DG 23 -0.437 2.666 3.900
188 H8 DG 23 H8 DG 23 1.123 1.960 6.591
189 H1 DG 23 H1 DG 23 4.635 6.806 4.274
190 H21 DG 23 H21 DG 23 3.348 7.806 2.616
191 H22 DG 23 H22 DG 23 1.655 7.544 2.675
192 H5' DC 24 H5' DC 24 -5.226 6.503 4.794
193 H5'' DC 24 H5'' DC 24 -6.931 6.189 4.941
194 H4' DC 24 H4' DC 24 -5.632 6.812 2.618
195 H3' DC 24 H3' DC 24 -8.188 5.204 2.831
196 H2' DC 24 H2' DC 24 -8.103 5.135 0.391
197 H2'' DC 24 H2'' DC 24 -6.716 6.245 0.467
198 H1' DC 24 H1' DC 24 -5.701 4.073 0.350
199 H41 DC 24 H41 DC 24 -9.619 -0.716 1.101
200 H42 DC 24 H42 DC 24 -9.541 -0.645 2.865
201 H5 DC 24 H5 DC 24 -8.326 1.128 3.995
202 H6 DC 24 H6 DC 24 -6.908 3.086 3.625
203 H5' DC 25 H5' DC 25 -10.879 7.831 4.846
204 H5'' DC 25 H5'' DC 25 -9.141 7.546 4.742
205 H4' DC 25 H4' DC 25 -9.908 6.526 6.716
206 H3' DC 25 H3' DC 25 -8.681 4.902 4.648
207 HO3' DC 25 HO3' DC 25 -7.734 4.013 6.610
208 H2' DC 25 H2' DC 25 -10.558 3.436 4.571
209 H2'' DC 25 H2'' DC 25 -9.769 2.747 6.027
210 H1' DC 25 H1' DC 25 -11.004 4.228 7.483
211 H41 DC 25 H41 DC 25 -16.255 0.809 7.283
212 H42 DC 25 H42 DC 25 -16.842 1.714 5.882
213 H5 DC 25 H5 DC 25 -15.491 3.235 4.671
214 H6 DC 25 H6 DC 25 -13.330 4.378 4.609
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -5.993 -9.805 5.231
2 H2 LYS 1 H2 LYS 1 -6.240 -9.530 6.821
3 H3 LYS 1 H3 LYS 1 -7.182 -10.604 6.019
4 HA LYS 1 HA LYS 1 -5.228 -11.354 7.543
5 HB2 LYS 1 HB2 LYS 1 -5.136 -13.484 6.463
6 HB3 LYS 1 HB3 LYS 1 -6.787 -12.885 6.543
7 HG2 LYS 1 HG2 LYS 1 -6.662 -12.281 4.115
8 HG3 LYS 1 HG3 LYS 1 -5.020 -12.964 4.058
9 HD2 LYS 1 HD2 LYS 1 -5.983 -15.164 4.830
10 HD3 LYS 1 HD3 LYS 1 -7.596 -14.446 4.681
11 HE2 LYS 1 HE2 LYS 1 -7.220 -14.011 2.287
12 HE3 LYS 1 HE3 LYS 1 -5.555 -14.601 2.417
13 HZ1 LYS 1 HZ1 LYS 1 -6.434 -16.807 2.969
14 HZ2 LYS 1 HZ2 LYS 1 -6.994 -16.298 1.518
15 HZ3 LYS 1 HZ3 LYS 1 -7.967 -16.267 2.857
16 H GLY 2 H GLY 2 -4.511 -10.721 4.078
17 HA2 GLY 2 HA2 GLY 2 -1.576 -10.862 4.522
18 HA3 GLY 2 HA3 GLY 2 -2.436 -10.664 3.004
19 H CYS 3 H CYS 3 -1.665 -8.782 2.214
20 HA CYS 3 HA CYS 3 -1.059 -6.378 3.447
21 HB2 CYS 3 HB2 CYS 3 -0.891 -7.201 0.968
22 HB3 CYS 3 HB3 CYS 3 -2.507 -6.524 0.820
23 H TRP 4 H TRP 4 -2.197 -4.373 3.217
24 HA TRP 4 HA TRP 4 -4.976 -4.275 4.251
25 HB2 TRP 4 HB2 TRP 4 -3.602 -2.699 5.309
26 HB3 TRP 4 HB3 TRP 4 -2.595 -2.541 3.924
27 HD1 TRP 4 HD1 TRP 4 -6.314 -1.423 4.430
28 HE1 TRP 4 HE1 TRP 4 -6.416 1.022 3.591
29 HE3 TRP 4 HE3 TRP 4 -1.412 -0.814 3.227
30 HZ2 TRP 4 HZ2 TRP 4 -4.547 2.942 2.454
31 HZ3 TRP 4 HZ3 TRP 4 -0.589 1.250 2.337
32 HH2 TRP 4 HH2 TRP 4 -2.124 3.216 1.943
33 H LYS 5 H LYS 5 -3.195 -3.449 1.281
34 HA LYS 5 HA LYS 5 -5.790 -2.748 -0.045
35 HB2 LYS 5 HB2 LYS 5 -4.944 -0.870 -0.964
36 HB3 LYS 5 HB3 LYS 5 -4.125 -0.884 0.571
37 HG2 LYS 5 HG2 LYS 5 -2.472 -0.227 -0.851
38 HG3 LYS 5 HG3 LYS 5 -2.145 -1.945 -0.718
39 HD2 LYS 5 HD2 LYS 5 -1.845 -1.230 -3.005
40 HD3 LYS 5 HD3 LYS 5 -3.200 -2.293 -2.983
41 HE2 LYS 5 HE2 LYS 5 -3.642 0.701 -2.779
42 HE3 LYS 5 HE3 LYS 5 -3.185 -0.011 -4.324
43 HZ1 LYS 5 HZ1 LYS 5 -5.118 -1.460 -4.199
44 HZ2 LYS 5 HZ2 LYS 5 -5.581 0.122 -4.119
45 HZ3 LYS 5 HZ3 LYS 5 -5.598 -0.767 -2.778
46 H CYS 6 H CYS 6 -2.669 -4.321 -0.529
47 HA CYS 6 HA CYS 6 -2.959 -4.707 -3.316
48 HB2 CYS 6 HB2 CYS 6 -1.239 -6.316 -1.380
49 HB3 CYS 6 HB3 CYS 6 -0.978 -6.054 -3.106
50 H GLY 7 H GLY 7 -3.302 -6.976 -0.645
51 HA2 GLY 7 HA2 GLY 7 -5.214 -8.301 -0.280
52 HA3 GLY 7 HA3 GLY 7 -5.468 -8.490 -2.031
53 H LYS 8 H LYS 8 -2.354 -8.888 -0.498
54 HA LYS 8 HA LYS 8 -2.299 -11.840 -0.974
55 HB2 LYS 8 HB2 LYS 8 -0.099 -9.899 -1.721
56 HB3 LYS 8 HB3 LYS 8 -0.259 -11.577 -2.215
57 HG2 LYS 8 HG2 LYS 8 -2.139 -11.008 -3.683
58 HG3 LYS 8 HG3 LYS 8 -2.096 -9.314 -3.193
59 HD2 LYS 8 HD2 LYS 8 0.318 -10.604 -4.478
60 HD3 LYS 8 HD3 LYS 8 -1.036 -9.997 -5.420
61 HE2 LYS 8 HE2 LYS 8 0.670 -8.320 -5.375
62 HE3 LYS 8 HE3 LYS 8 -0.762 -7.734 -4.533
63 HZ1 LYS 8 HZ1 LYS 8 1.592 -8.890 -3.133
64 HZ2 LYS 8 HZ2 LYS 8 0.380 -8.067 -2.428
65 HZ3 LYS 8 HZ3 LYS 8 1.423 -7.275 -3.407
66 H GLU 9 H GLU 9 -0.723 -12.933 0.408
67 HA GLU 9 HA GLU 9 0.093 -11.473 2.823
68 HB2 GLU 9 HB2 GLU 9 0.658 -14.303 1.928
69 HB3 GLU 9 HB3 GLU 9 1.233 -13.565 3.439
70 HG2 GLU 9 HG2 GLU 9 -1.154 -13.173 4.098
71 HG3 GLU 9 HG3 GLU 9 -1.624 -14.215 2.742
72 H GLY 10 H GLY 10 1.215 -9.992 0.899
73 HA2 GLY 10 HA2 GLY 10 4.045 -10.807 0.487
74 HA3 GLY 10 HA3 GLY 10 3.236 -9.383 -0.172
75 H HIS 11 H HIS 11 2.118 -8.392 2.295
76 HA HIS 11 HA HIS 11 4.153 -7.820 4.221
77 HB2 HIS 11 HB2 HIS 11 4.460 -5.430 3.501
78 HB3 HIS 11 HB3 HIS 11 5.257 -6.590 2.457
79 HD1 HIS 11 HD1 HIS 11 5.009 -5.661 0.000
80 HD2 HIS 11 HD2 HIS 11 1.861 -4.714 2.548
81 HE1 HIS 11 HE1 HIS 11 3.315 -4.395 -1.404
82 H GLN 12 H GLN 12 3.458 -5.606 5.366
83 HA GLN 12 HA GLN 12 0.494 -5.046 5.429
84 HB2 GLN 12 HB2 GLN 12 1.279 -6.510 7.287
85 HB3 GLN 12 HB3 GLN 12 2.495 -5.311 7.707
86 HG2 GLN 12 HG2 GLN 12 0.814 -3.767 8.477
87 HG3 GLN 12 HG3 GLN 12 -0.487 -4.724 7.727
88 HE21 GLN 12 HE21 GLN 12 2.132 -5.040 10.222
89 HE22 GLN 12 HE22 GLN 12 1.155 -6.135 11.217
90 H MET 13 H MET 13 0.193 -2.905 6.733
91 HA MET 13 HA MET 13 0.457 -1.188 4.611
92 HB2 MET 13 HB2 MET 13 0.067 -0.101 7.387
93 HB3 MET 13 HB3 MET 13 -0.584 0.450 5.827
94 HG2 MET 13 HG2 MET 13 -2.430 -0.644 6.525
95 HG3 MET 13 HG3 MET 13 -1.620 -1.956 5.788
96 HE1 MET 13 HE1 MET 13 -4.002 -2.167 7.910
97 HE2 MET 13 HE2 MET 13 -3.220 -3.609 7.234
98 HE3 MET 13 HE3 MET 13 -3.437 -3.469 8.977
99 H LYS 14 H LYS 14 2.695 -1.388 7.279
100 HA LYS 14 HA LYS 14 4.172 1.035 6.769
101 HB2 LYS 14 HB2 LYS 14 4.626 -1.572 8.264
102 HB3 LYS 14 HB3 LYS 14 5.946 -0.436 8.085
103 HG2 LYS 14 HG2 LYS 14 5.035 1.116 9.500
104 HG3 LYS 14 HG3 LYS 14 3.385 0.825 8.985
105 HD2 LYS 14 HD2 LYS 14 4.946 -1.063 10.769
106 HD3 LYS 14 HD3 LYS 14 3.898 0.214 11.389
107 HE2 LYS 14 HE2 LYS 14 2.981 -2.058 9.574
108 HE3 LYS 14 HE3 LYS 14 2.865 -2.092 11.325
109 HZ1 LYS 14 HZ1 LYS 14 1.356 -0.219 11.264
110 HZ2 LYS 14 HZ2 LYS 14 0.770 -1.355 10.309
111 HZ3 LYS 14 HZ3 LYS 14 1.500 0.000 9.673
112 H ASP 15 H ASP 15 4.370 -2.227 5.429
113 HA ASP 15 HA ASP 15 6.849 -1.512 3.905
114 HB2 ASP 15 HB2 ASP 15 5.443 -3.995 4.759
115 HB3 ASP 15 HB3 ASP 15 6.146 -4.035 3.144
116 H CYS 16 H CYS 16 3.431 -1.817 3.553
117 HA CYS 16 HA CYS 16 3.302 -1.991 0.685
118 HB2 CYS 16 HB2 CYS 16 1.640 -2.849 2.391
119 HB3 CYS 16 HB3 CYS 16 1.188 -1.307 2.741
120 H THR 17 H THR 17 1.992 0.461 2.826
121 HA THR 17 HA THR 17 1.237 2.514 2.600
122 HB THR 17 HB THR 17 2.643 4.254 2.304
123 HG1 THR 17 HG1 THR 17 4.163 2.686 0.502
124 HG21 THR 17 HG21 THR 17 3.534 2.576 3.950
125 HG22 THR 17 HG22 THR 17 4.759 3.666 3.253
126 HG23 THR 17 HG23 THR 17 4.616 1.988 2.664
127 H GLU 18 H GLU 18 0.569 0.654 0.187
128 HA GLU 18 HA GLU 18 0.810 2.495 -1.949
129 HB2 GLU 18 HB2 GLU 18 -0.249 -0.325 -1.795
130 HB3 GLU 18 HB3 GLU 18 -0.141 0.524 -3.328
131 HG2 GLU 18 HG2 GLU 18 2.155 -0.037 -1.494
132 HG3 GLU 18 HG3 GLU 18 1.726 -1.019 -2.881
133 H ARG 19 H ARG 19 -1.633 2.981 0.009
134 HA ARG 19 HA ARG 19 -3.568 3.880 0.026
135 HB2 ARG 19 HB2 ARG 19 -2.742 5.181 -2.011
136 HB3 ARG 19 HB3 ARG 19 -3.548 4.015 -3.035
137 HG2 ARG 19 HG2 ARG 19 -5.570 4.836 -1.237
138 HG3 ARG 19 HG3 ARG 19 -4.580 6.270 -1.518
139 HD2 ARG 19 HD2 ARG 19 -6.318 6.296 -3.147
140 HD3 ARG 19 HD3 ARG 19 -4.827 5.870 -4.001
141 HE ARG 19 HE ARG 19 -6.005 3.440 -3.285
142 HH11 ARG 19 HH11 ARG 19 -6.818 6.148 -5.425
143 HH12 ARG 19 HH12 ARG 19 -7.948 5.141 -6.330
144 HH21 ARG 19 HH21 ARG 19 -7.527 2.292 -4.608
145 HH22 ARG 19 HH22 ARG 19 -8.261 3.172 -5.930
146 H5' DT 20 H5' DT 20 8.834 7.054 3.845
147 H5'' DT 20 H5'' DT 20 8.196 7.865 2.426
148 H4' DT 20 H4' DT 20 9.632 6.209 1.606
149 H3' DT 20 H3' DT 20 6.801 5.681 1.054
150 H2' DT 20 H2' DT 20 6.893 3.532 1.886
151 H2'' DT 20 H2'' DT 20 7.730 3.185 0.337
152 H1' DT 20 H1' DT 20 9.885 3.519 1.327
153 H3 DT 20 H3 DT 20 10.024 -0.832 2.561
154 H71 DT 20 H71 DT 20 9.665 1.280 6.981
155 H72 DT 20 H72 DT 20 8.116 0.458 6.772
156 H73 DT 20 H73 DT 20 8.183 2.222 6.689
157 H6 DT 20 H6 DT 20 8.351 3.186 4.609
158 HO5' DT 20 HO5' DT 20 6.559 7.449 4.012
159 H5' DA 21 H5' DA 21 7.084 7.927 -3.379
160 H5'' DA 21 H5'' DA 21 5.967 8.509 -2.144
161 H4' DA 21 H4' DA 21 4.857 7.877 -4.250
162 H3' DA 21 H3' DA 21 4.155 6.362 -1.745
163 H2' DA 21 H2' DA 21 2.747 4.883 -3.042
164 H2'' DA 21 H2'' DA 21 2.813 5.932 -4.427
165 H1' DA 21 H1' DA 21 4.470 4.425 -5.098
166 H8 DA 21 H8 DA 21 3.817 4.002 -1.561
167 H61 DA 21 H61 DA 21 8.387 -0.260 -1.391
168 H62 DA 21 H62 DA 21 6.991 0.383 -0.527
169 H2 DA 21 H2 DA 21 8.746 1.871 -5.148
170 H5' DC 22 H5' DC 22 0.441 10.324 -0.663
171 H5'' DC 22 H5'' DC 22 1.620 10.116 0.638
172 H4' DC 22 H4' DC 22 -0.407 9.931 1.687
173 H3' DC 22 H3' DC 22 1.018 7.453 1.355
174 H2' DC 22 H2' DC 22 -0.547 5.871 1.096
175 H2'' DC 22 H2'' DC 22 -1.803 6.707 1.974
176 H1' DC 22 H1' DC 22 -2.667 7.292 -0.054
177 H41 DC 22 H41 DC 22 -0.192 6.819 -5.851
178 H42 DC 22 H42 DC 22 0.459 5.272 -5.270
179 H5 DC 22 H5 DC 22 0.510 4.691 -2.966
180 H6 DC 22 H6 DC 22 -0.093 5.410 -0.763
181 H5' DG 23 H5' DG 23 -2.811 7.057 3.762
182 H5'' DG 23 H5'' DG 23 -3.297 6.907 5.420
183 H4' DG 23 H4' DG 23 -3.000 4.773 3.889
184 H3' DG 23 H3' DG 23 -2.127 4.949 6.745
185 H2' DG 23 H2' DG 23 -1.201 2.848 6.656
186 H2'' DG 23 H2'' DG 23 -2.136 2.287 5.277
187 H1' DG 23 H1' DG 23 -0.478 2.957 3.867
188 H8 DG 23 H8 DG 23 0.849 1.870 6.476
189 H1 DG 23 H1 DG 23 4.735 6.873 5.392
190 H21 DG 23 H21 DG 23 3.794 8.203 3.876
191 H22 DG 23 H22 DG 23 2.132 7.824 3.360
192 H5' DC 24 H5' DC 24 -6.583 7.390 4.993
193 H5'' DC 24 H5'' DC 24 -7.392 5.869 5.363
194 H4' DC 24 H4' DC 24 -8.041 5.876 3.231
195 H3' DC 24 H3' DC 24 -5.733 4.346 3.326
196 H2' DC 24 H2' DC 24 -4.392 6.322 2.659
197 H2'' DC 24 H2'' DC 24 -4.523 5.345 1.154
198 H1' DC 24 H1' DC 24 -6.487 6.345 0.586
199 H41 DC 24 H41 DC 24 -3.288 12.005 -0.480
200 H42 DC 24 H42 DC 24 -3.865 11.498 -2.066
201 H5 DC 24 H5 DC 24 -5.356 9.617 -2.330
202 H6 DC 24 H6 DC 24 -6.293 7.683 -1.197
203 H5' DC 25 H5' DC 25 -11.177 3.853 0.851
204 H5'' DC 25 H5'' DC 25 -9.778 3.560 -0.169
205 H4' DC 25 H4' DC 25 -11.192 5.392 -0.981
206 H3' DC 25 H3' DC 25 -8.287 5.668 -0.516
207 HO3' DC 25 HO3' DC 25 -8.795 6.768 -2.754
208 H2' DC 25 H2' DC 25 -8.518 7.821 0.312
209 H2'' DC 25 H2'' DC 25 -9.028 8.295 -1.326
210 H1' DC 25 H1' DC 25 -11.328 7.933 -0.825
211 H41 DC 25 H41 DC 25 -11.086 12.342 3.969
212 H42 DC 25 H42 DC 25 -11.045 13.317 2.515
213 H5 DC 25 H5 DC 25 -10.751 12.376 0.331
214 H6 DC 25 H6 DC 25 -10.637 10.271 -0.905
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 -6.218 -8.842 5.770
2 H2 LYS 1 H2 LYS 1 -7.508 -9.796 6.108
3 H3 LYS 1 H3 LYS 1 -7.182 -9.352 4.550
4 HA LYS 1 HA LYS 1 -5.555 -11.076 6.271
5 HB2 LYS 1 HB2 LYS 1 -6.098 -12.902 4.770
6 HB3 LYS 1 HB3 LYS 1 -7.518 -12.242 5.560
7 HG2 LYS 1 HG2 LYS 1 -8.161 -11.046 3.488
8 HG3 LYS 1 HG3 LYS 1 -6.694 -11.635 2.694
9 HD2 LYS 1 HD2 LYS 1 -7.507 -14.012 3.181
10 HD3 LYS 1 HD3 LYS 1 -9.026 -13.300 3.732
11 HE2 LYS 1 HE2 LYS 1 -9.232 -14.095 1.450
12 HE3 LYS 1 HE3 LYS 1 -9.406 -12.335 1.481
13 HZ1 LYS 1 HZ1 LYS 1 -7.251 -12.088 0.603
14 HZ2 LYS 1 HZ2 LYS 1 -7.875 -13.316 -0.291
15 HZ3 LYS 1 HZ3 LYS 1 -6.796 -13.617 0.930
16 H GLY 2 H GLY 2 -3.440 -11.216 5.866
17 HA2 GLY 2 HA2 GLY 2 -1.407 -11.032 4.736
18 HA3 GLY 2 HA3 GLY 2 -2.249 -10.840 3.223
19 H CYS 3 H CYS 3 -1.724 -8.954 2.321
20 HA CYS 3 HA CYS 3 -0.963 -6.530 3.617
21 HB2 CYS 3 HB2 CYS 3 -0.658 -7.351 1.139
22 HB3 CYS 3 HB3 CYS 3 -2.252 -6.676 0.916
23 H TRP 4 H TRP 4 -2.156 -4.606 2.954
24 HA TRP 4 HA TRP 4 -4.856 -4.445 4.184
25 HB2 TRP 4 HB2 TRP 4 -3.277 -3.006 5.213
26 HB3 TRP 4 HB3 TRP 4 -2.421 -2.760 3.746
27 HD1 TRP 4 HD1 TRP 4 -6.038 -1.749 4.808
28 HE1 TRP 4 HE1 TRP 4 -6.260 0.740 4.264
29 HE3 TRP 4 HE3 TRP 4 -1.338 -0.917 3.033
30 HZ2 TRP 4 HZ2 TRP 4 -4.625 2.777 2.978
31 HZ3 TRP 4 HZ3 TRP 4 -0.720 1.220 2.096
32 HH2 TRP 4 HH2 TRP 4 -2.341 3.133 2.030
33 H LYS 5 H LYS 5 -3.144 -2.921 1.428
34 HA LYS 5 HA LYS 5 -5.716 -2.582 -0.001
35 HB2 LYS 5 HB2 LYS 5 -4.666 -0.926 -1.278
36 HB3 LYS 5 HB3 LYS 5 -4.137 -0.688 0.378
37 HG2 LYS 5 HG2 LYS 5 -2.116 -0.446 -0.644
38 HG3 LYS 5 HG3 LYS 5 -2.086 -2.195 -0.455
39 HD2 LYS 5 HD2 LYS 5 -1.369 -1.712 -2.674
40 HD3 LYS 5 HD3 LYS 5 -2.988 -2.372 -2.865
41 HE2 LYS 5 HE2 LYS 5 -3.959 -0.186 -3.194
42 HE3 LYS 5 HE3 LYS 5 -2.505 0.612 -2.628
43 HZ1 LYS 5 HZ1 LYS 5 -2.542 0.764 -4.959
44 HZ2 LYS 5 HZ2 LYS 5 -2.816 -0.816 -5.207
45 HZ3 LYS 5 HZ3 LYS 5 -1.357 -0.364 -4.639
46 H CYS 6 H CYS 6 -2.732 -4.444 -0.356
47 HA CYS 6 HA CYS 6 -3.121 -5.042 -3.123
48 HB2 CYS 6 HB2 CYS 6 -1.399 -6.610 -1.166
49 HB3 CYS 6 HB3 CYS 6 -1.213 -6.447 -2.904
50 H GLY 7 H GLY 7 -3.478 -6.981 -0.218
51 HA2 GLY 7 HA2 GLY 7 -5.159 -8.406 0.410
52 HA3 GLY 7 HA3 GLY 7 -5.699 -8.577 -1.291
53 H LYS 8 H LYS 8 -2.473 -9.084 0.070
54 HA LYS 8 HA LYS 8 -2.494 -12.008 -0.483
55 HB2 LYS 8 HB2 LYS 8 -0.325 -10.248 -1.587
56 HB3 LYS 8 HB3 LYS 8 -0.731 -11.885 -2.067
57 HG2 LYS 8 HG2 LYS 8 -2.722 -11.083 -3.254
58 HG3 LYS 8 HG3 LYS 8 -2.416 -9.410 -2.766
59 HD2 LYS 8 HD2 LYS 8 -0.385 -10.959 -4.381
60 HD3 LYS 8 HD3 LYS 8 -1.755 -10.121 -5.110
61 HE2 LYS 8 HE2 LYS 8 0.252 -8.766 -5.221
62 HE3 LYS 8 HE3 LYS 8 -1.028 -7.969 -4.311
63 HZ1 LYS 8 HZ1 LYS 8 1.281 -7.870 -3.342
64 HZ2 LYS 8 HZ2 LYS 8 1.205 -9.470 -3.055
65 HZ3 LYS 8 HZ3 LYS 8 0.171 -8.447 -2.292
66 H GLU 9 H GLU 9 -0.619 -13.058 0.575
67 HA GLU 9 HA GLU 9 0.403 -11.622 2.897
68 HB2 GLU 9 HB2 GLU 9 0.940 -14.389 1.824
69 HB3 GLU 9 HB3 GLU 9 1.596 -13.746 3.345
70 HG2 GLU 9 HG2 GLU 9 -0.785 -13.285 4.045
71 HG3 GLU 9 HG3 GLU 9 -1.305 -14.289 2.681
72 H GLY 10 H GLY 10 1.291 -10.027 0.980
73 HA2 GLY 10 HA2 GLY 10 4.120 -10.659 0.302
74 HA3 GLY 10 HA3 GLY 10 3.185 -9.266 -0.223
75 H HIS 11 H HIS 11 2.210 -8.377 2.338
76 HA HIS 11 HA HIS 11 4.335 -7.904 4.200
77 HB2 HIS 11 HB2 HIS 11 4.599 -5.433 3.580
78 HB3 HIS 11 HB3 HIS 11 5.406 -6.571 2.542
79 HD1 HIS 11 HD1 HIS 11 5.227 -5.692 0.149
80 HD2 HIS 11 HD2 HIS 11 1.937 -4.730 2.512
81 HE1 HIS 11 HE1 HIS 11 3.515 -4.617 -1.401
82 H GLN 12 H GLN 12 3.693 -5.581 5.276
83 HA GLN 12 HA GLN 12 0.734 -5.264 5.662
84 HB2 GLN 12 HB2 GLN 12 2.497 -6.203 7.566
85 HB3 GLN 12 HB3 GLN 12 2.730 -4.467 7.733
86 HG2 GLN 12 HG2 GLN 12 0.123 -4.358 7.953
87 HG3 GLN 12 HG3 GLN 12 0.185 -6.115 8.072
88 HE21 GLN 12 HE21 GLN 12 1.809 -6.943 9.930
89 HE22 GLN 12 HE22 GLN 12 1.612 -5.999 11.404
90 H MET 13 H MET 13 0.287 -3.091 6.651
91 HA MET 13 HA MET 13 0.390 -1.271 4.569
92 HB2 MET 13 HB2 MET 13 0.172 -0.571 7.513
93 HB3 MET 13 HB3 MET 13 -0.474 0.331 6.125
94 HG2 MET 13 HG2 MET 13 -2.329 -0.911 6.026
95 HG3 MET 13 HG3 MET 13 -1.471 -2.365 6.140
96 HE1 MET 13 HE1 MET 13 -3.515 0.336 8.091
97 HE2 MET 13 HE2 MET 13 -3.060 0.022 9.779
98 HE3 MET 13 HE3 MET 13 -1.864 0.682 8.646
99 H LYS 14 H LYS 14 2.662 -1.414 7.267
100 HA LYS 14 HA LYS 14 4.031 1.053 6.716
101 HB2 LYS 14 HB2 LYS 14 4.448 -1.423 8.372
102 HB3 LYS 14 HB3 LYS 14 5.832 -0.379 8.128
103 HG2 LYS 14 HG2 LYS 14 4.871 1.444 9.247
104 HG3 LYS 14 HG3 LYS 14 3.222 0.908 8.974
105 HD2 LYS 14 HD2 LYS 14 4.732 -1.045 10.582
106 HD3 LYS 14 HD3 LYS 14 4.770 0.553 11.305
107 HE2 LYS 14 HE2 LYS 14 2.910 -0.814 12.162
108 HE3 LYS 14 HE3 LYS 14 2.352 0.682 11.406
109 HZ1 LYS 14 HZ1 LYS 14 1.601 -0.506 9.551
110 HZ2 LYS 14 HZ2 LYS 14 1.058 -1.341 10.838
111 HZ3 LYS 14 HZ3 LYS 14 2.357 -1.941 10.041
112 H ASP 15 H ASP 15 4.259 -2.048 5.226
113 HA ASP 15 HA ASP 15 6.794 -1.262 3.803
114 HB2 ASP 15 HB2 ASP 15 5.411 -3.769 4.573
115 HB3 ASP 15 HB3 ASP 15 6.193 -3.788 2.987
116 H CYS 16 H CYS 16 3.353 -1.845 3.415
117 HA CYS 16 HA CYS 16 3.298 -1.925 0.575
118 HB2 CYS 16 HB2 CYS 16 1.633 -2.861 2.217
119 HB3 CYS 16 HB3 CYS 16 1.031 -1.360 2.477
120 H THR 17 H THR 17 1.906 0.442 2.765
121 HA THR 17 HA THR 17 1.083 2.469 2.616
122 HB THR 17 HB THR 17 2.440 4.207 2.543
123 HG1 THR 17 HG1 THR 17 3.990 3.005 0.507
124 HG21 THR 17 HG21 THR 17 3.507 2.375 3.909
125 HG22 THR 17 HG22 THR 17 4.610 3.626 3.337
126 HG23 THR 17 HG23 THR 17 4.561 2.048 2.512
127 H GLU 18 H GLU 18 0.797 0.790 -0.146
128 HA GLU 18 HA GLU 18 0.893 2.925 -1.996
129 HB2 GLU 18 HB2 GLU 18 -0.180 0.130 -2.343
130 HB3 GLU 18 HB3 GLU 18 0.131 1.217 -3.684
131 HG2 GLU 18 HG2 GLU 18 2.192 0.104 -1.803
132 HG3 GLU 18 HG3 GLU 18 1.807 -0.496 -3.399
133 H ARG 19 H ARG 19 -1.526 2.902 -0.007
134 HA ARG 19 HA ARG 19 -3.636 3.673 0.170
135 HB2 ARG 19 HB2 ARG 19 -2.821 5.335 -1.479
136 HB3 ARG 19 HB3 ARG 19 -3.547 4.419 -2.780
137 HG2 ARG 19 HG2 ARG 19 -5.772 4.768 -1.770
138 HG3 ARG 19 HG3 ARG 19 -4.994 5.656 -0.429
139 HD2 ARG 19 HD2 ARG 19 -4.641 7.526 -1.633
140 HD3 ARG 19 HD3 ARG 19 -4.245 6.637 -3.113
141 HE ARG 19 HE ARG 19 -7.046 6.420 -2.705
142 HH11 ARG 19 HH11 ARG 19 -4.699 8.947 -3.498
143 HH12 ARG 19 HH12 ARG 19 -5.847 9.680 -4.628
144 HH21 ARG 19 HH21 ARG 19 -8.395 7.534 -4.119
145 HH22 ARG 19 HH22 ARG 19 -7.736 8.942 -4.944
146 H5' DT 20 H5' DT 20 8.430 5.369 4.818
147 H5'' DT 20 H5'' DT 20 6.702 5.384 4.495
148 H4' DT 20 H4' DT 20 8.074 6.697 2.865
149 H3' DT 20 H3' DT 20 6.024 4.779 2.213
150 H2' DT 20 H2' DT 20 7.161 3.565 0.732
151 H2'' DT 20 H2'' DT 20 7.059 4.963 -0.371
152 H1' DT 20 H1' DT 20 9.173 5.775 0.266
153 H3 DT 20 H3 DT 20 12.160 3.201 -1.884
154 H71 DT 20 H71 DT 20 11.506 -0.005 1.674
155 H72 DT 20 H72 DT 20 10.339 -0.601 0.486
156 H73 DT 20 H73 DT 20 9.763 0.173 1.981
157 H6 DT 20 H6 DT 20 9.045 2.357 1.712
158 HO5' DT 20 HO5' DT 20 7.413 3.282 5.032
159 H5' DA 21 H5' DA 21 6.820 8.592 -2.476
160 H5'' DA 21 H5'' DA 21 5.408 9.181 -1.591
161 H4' DA 21 H4' DA 21 4.696 8.513 -3.769
162 H3' DA 21 H3' DA 21 3.790 6.748 -1.486
163 H2' DA 21 H2' DA 21 2.684 5.308 -3.061
164 H2'' DA 21 H2'' DA 21 2.821 6.474 -4.336
165 H1' DA 21 H1' DA 21 4.681 5.159 -4.886
166 H8 DA 21 H8 DA 21 3.588 4.386 -1.504
167 H61 DA 21 H61 DA 21 8.254 0.218 -1.364
168 H62 DA 21 H62 DA 21 6.737 0.652 -0.564
169 H2 DA 21 H2 DA 21 9.006 2.828 -4.660
170 H5' DC 22 H5' DC 22 -0.174 10.672 -0.529
171 H5'' DC 22 H5'' DC 22 0.968 10.353 0.776
172 H4' DC 22 H4' DC 22 -1.186 10.076 1.689
173 H3' DC 22 H3' DC 22 0.530 7.769 1.428
174 H2' DC 22 H2' DC 22 -0.890 5.995 1.126
175 H2'' DC 22 H2'' DC 22 -2.247 6.761 1.918
176 H1' DC 22 H1' DC 22 -3.028 7.221 -0.151
177 H41 DC 22 H41 DC 22 -0.185 6.927 -5.817
178 H42 DC 22 H42 DC 22 0.502 5.431 -5.180
179 H5 DC 22 H5 DC 22 0.601 4.972 -2.863
180 H6 DC 22 H6 DC 22 -0.128 5.664 -0.683
181 H5' DG 23 H5' DG 23 -3.342 6.447 3.777
182 H5'' DG 23 H5'' DG 23 -3.650 6.401 5.504
183 H4' DG 23 H4' DG 23 -3.209 4.243 4.025
184 H3' DG 23 H3' DG 23 -2.335 4.561 6.876
185 H2' DG 23 H2' DG 23 -1.132 2.566 6.756
186 H2'' DG 23 H2'' DG 23 -2.073 1.891 5.439
187 H1' DG 23 H1' DG 23 -0.556 2.698 3.952
188 H8 DG 23 H8 DG 23 1.059 1.761 6.407
189 H1 DG 23 H1 DG 23 4.247 7.244 5.306
190 H21 DG 23 H21 DG 23 2.868 8.639 4.303
191 H22 DG 23 H22 DG 23 1.385 8.010 3.582
192 H5' DC 24 H5' DC 24 -5.724 6.608 5.012
193 H5'' DC 24 H5'' DC 24 -7.268 5.777 5.044
194 H4' DC 24 H4' DC 24 -5.812 6.760 2.792
195 H3' DC 24 H3' DC 24 -8.362 5.153 3.004
196 H2' DC 24 H2' DC 24 -8.297 5.031 0.578
197 H2'' DC 24 H2'' DC 24 -6.951 6.178 0.615
198 H1' DC 24 H1' DC 24 -5.884 3.977 0.531
199 H41 DC 24 H41 DC 24 -9.894 -0.677 1.427
200 H42 DC 24 H42 DC 24 -9.632 -0.703 3.180
201 H5 DC 24 H5 DC 24 -8.362 1.066 4.260
202 H6 DC 24 H6 DC 24 -6.962 3.045 3.852
203 H5' DC 25 H5' DC 25 -11.055 7.568 4.938
204 H5'' DC 25 H5'' DC 25 -9.354 7.116 4.875
205 H4' DC 25 H4' DC 25 -10.534 6.010 6.681
206 H3' DC 25 H3' DC 25 -9.085 4.459 4.592
207 HO3' DC 25 HO3' DC 25 -7.953 3.884 6.540
208 H2' DC 25 H2' DC 25 -10.697 2.713 4.727
209 H2'' DC 25 H2'' DC 25 -10.120 2.473 6.387
210 H1' DC 25 H1' DC 25 -11.717 3.991 7.246
211 H41 DC 25 H41 DC 25 -17.211 1.449 5.280
212 H42 DC 25 H42 DC 25 -16.917 0.662 6.825
213 H5 DC 25 H5 DC 25 -14.672 0.654 7.826
214 H6 DC 25 H6 DC 25 -12.481 1.814 7.725
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 -5.064 -13.601 6.149
2 H2 LYS 1 H2 LYS 1 -6.596 -13.224 6.573
3 H3 LYS 1 H3 LYS 1 -5.361 -12.966 7.633
4 HA LYS 1 HA LYS 1 -6.114 -11.425 5.262
5 HB2 LYS 1 HB2 LYS 1 -5.402 -10.815 8.135
6 HB3 LYS 1 HB3 LYS 1 -4.987 -9.621 6.935
7 HG2 LYS 1 HG2 LYS 1 -7.090 -9.133 8.017
8 HG3 LYS 1 HG3 LYS 1 -7.247 -9.263 6.272
9 HD2 LYS 1 HD2 LYS 1 -7.891 -11.702 7.945
10 HD3 LYS 1 HD3 LYS 1 -8.992 -10.329 7.996
11 HE2 LYS 1 HE2 LYS 1 -9.296 -10.335 5.587
12 HE3 LYS 1 HE3 LYS 1 -8.120 -11.636 5.392
13 HZ1 LYS 1 HZ1 LYS 1 -10.379 -12.467 5.384
14 HZ2 LYS 1 HZ2 LYS 1 -10.664 -11.863 6.889
15 HZ3 LYS 1 HZ3 LYS 1 -9.556 -13.083 6.661
16 H GLY 2 H GLY 2 -4.681 -10.133 4.111
17 HA2 GLY 2 HA2 GLY 2 -1.765 -10.785 4.441
18 HA3 GLY 2 HA3 GLY 2 -2.557 -10.677 2.878
19 H CYS 3 H CYS 3 -2.014 -8.820 1.840
20 HA CYS 3 HA CYS 3 -0.973 -6.476 3.152
21 HB2 CYS 3 HB2 CYS 3 -1.235 -7.363 0.497
22 HB3 CYS 3 HB3 CYS 3 -2.290 -5.969 0.599
23 H TRP 4 H TRP 4 -1.943 -4.513 3.419
24 HA TRP 4 HA TRP 4 -4.603 -4.329 4.446
25 HB2 TRP 4 HB2 TRP 4 -3.119 -2.835 5.371
26 HB3 TRP 4 HB3 TRP 4 -2.241 -2.620 3.909
27 HD1 TRP 4 HD1 TRP 4 -5.761 -1.540 5.189
28 HE1 TRP 4 HE1 TRP 4 -6.066 0.913 4.460
29 HE3 TRP 4 HE3 TRP 4 -1.318 -0.895 2.810
30 HZ2 TRP 4 HZ2 TRP 4 -4.589 2.815 2.853
31 HZ3 TRP 4 HZ3 TRP 4 -0.770 1.190 1.758
32 HH2 TRP 4 HH2 TRP 4 -2.399 3.114 1.707
33 H LYS 5 H LYS 5 -3.284 -3.058 1.365
34 HA LYS 5 HA LYS 5 -6.084 -2.670 0.369
35 HB2 LYS 5 HB2 LYS 5 -5.325 -0.871 -0.954
36 HB3 LYS 5 HB3 LYS 5 -4.755 -0.643 0.681
37 HG2 LYS 5 HG2 LYS 5 -2.814 -0.097 -0.369
38 HG3 LYS 5 HG3 LYS 5 -2.546 -1.824 -0.248
39 HD2 LYS 5 HD2 LYS 5 -1.952 -1.199 -2.470
40 HD3 LYS 5 HD3 LYS 5 -3.507 -2.029 -2.620
41 HE2 LYS 5 HE2 LYS 5 -4.677 0.173 -2.654
42 HE3 LYS 5 HE3 LYS 5 -3.165 1.013 -2.432
43 HZ1 LYS 5 HZ1 LYS 5 -3.869 0.964 -4.745
44 HZ2 LYS 5 HZ2 LYS 5 -3.773 -0.676 -4.817
45 HZ3 LYS 5 HZ3 LYS 5 -2.428 0.264 -4.576
46 H CYS 6 H CYS 6 -3.039 -4.204 -0.480
47 HA CYS 6 HA CYS 6 -3.765 -4.871 -3.117
48 HB2 CYS 6 HB2 CYS 6 -1.608 -6.327 -1.611
49 HB3 CYS 6 HB3 CYS 6 -1.666 -5.750 -3.276
50 H GLY 7 H GLY 7 -3.339 -7.031 -0.300
51 HA2 GLY 7 HA2 GLY 7 -4.806 -8.774 0.369
52 HA3 GLY 7 HA3 GLY 7 -5.517 -8.776 -1.252
53 H LYS 8 H LYS 8 -2.059 -9.066 -0.471
54 HA LYS 8 HA LYS 8 -2.073 -11.794 -1.697
55 HB2 LYS 8 HB2 LYS 8 0.009 -9.680 -2.207
56 HB3 LYS 8 HB3 LYS 8 -0.222 -11.191 -3.069
57 HG2 LYS 8 HG2 LYS 8 -2.374 -10.364 -3.984
58 HG3 LYS 8 HG3 LYS 8 -2.137 -8.799 -3.198
59 HD2 LYS 8 HD2 LYS 8 -0.069 -9.896 -5.121
60 HD3 LYS 8 HD3 LYS 8 -1.531 -9.090 -5.692
61 HE2 LYS 8 HE2 LYS 8 0.423 -7.597 -5.629
62 HE3 LYS 8 HE3 LYS 8 -0.952 -7.008 -4.714
63 HZ1 LYS 8 HZ1 LYS 8 0.168 -7.681 -2.670
64 HZ2 LYS 8 HZ2 LYS 8 1.252 -6.802 -3.563
65 HZ3 LYS 8 HZ3 LYS 8 1.353 -8.425 -3.488
66 H GLU 9 H GLU 9 -1.663 -10.872 1.145
67 HA GLU 9 HA GLU 9 -0.223 -11.120 2.976
68 HB2 GLU 9 HB2 GLU 9 0.216 -13.704 1.483
69 HB3 GLU 9 HB3 GLU 9 0.543 -13.460 3.200
70 HG2 GLU 9 HG2 GLU 9 -1.751 -13.115 3.733
71 HG3 GLU 9 HG3 GLU 9 -2.230 -12.980 2.048
72 H GLY 10 H GLY 10 1.224 -9.717 0.718
73 HA2 GLY 10 HA2 GLY 10 3.904 -10.801 0.636
74 HA3 GLY 10 HA3 GLY 10 3.329 -9.275 -0.049
75 H HIS 11 H HIS 11 2.310 -8.051 2.317
76 HA HIS 11 HA HIS 11 4.195 -8.138 4.482
77 HB2 HIS 11 HB2 HIS 11 5.010 -5.752 4.105
78 HB3 HIS 11 HB3 HIS 11 5.712 -6.964 3.057
79 HD1 HIS 11 HD1 HIS 11 5.873 -6.057 0.635
80 HD2 HIS 11 HD2 HIS 11 2.515 -4.714 2.796
81 HE1 HIS 11 HE1 HIS 11 4.495 -4.557 -0.934
82 H GLN 12 H GLN 12 3.943 -5.805 5.689
83 HA GLN 12 HA GLN 12 1.017 -5.341 6.145
84 HB2 GLN 12 HB2 GLN 12 2.824 -6.262 7.908
85 HB3 GLN 12 HB3 GLN 12 3.200 -4.559 8.075
86 HG2 GLN 12 HG2 GLN 12 0.842 -4.131 8.771
87 HG3 GLN 12 HG3 GLN 12 0.448 -5.825 8.493
88 HE21 GLN 12 HE21 GLN 12 2.320 -7.360 9.725
89 HE22 GLN 12 HE22 GLN 12 2.629 -6.821 11.355
90 H MET 13 H MET 13 0.432 -3.189 6.928
91 HA MET 13 HA MET 13 0.401 -1.589 4.719
92 HB2 MET 13 HB2 MET 13 0.222 -0.361 7.468
93 HB3 MET 13 HB3 MET 13 -0.662 0.002 5.967
94 HG2 MET 13 HG2 MET 13 -2.321 -1.192 6.792
95 HG3 MET 13 HG3 MET 13 -1.388 -2.573 6.430
96 HE1 MET 13 HE1 MET 13 -3.653 -1.286 8.761
97 HE2 MET 13 HE2 MET 13 -3.581 -3.028 8.416
98 HE3 MET 13 HE3 MET 13 -3.394 -2.436 10.077
99 H LYS 14 H LYS 14 2.541 -1.182 7.413
100 HA LYS 14 HA LYS 14 3.978 1.154 6.829
101 HB2 LYS 14 HB2 LYS 14 5.667 0.071 8.353
102 HB3 LYS 14 HB3 LYS 14 4.013 0.128 8.884
103 HG2 LYS 14 HG2 LYS 14 3.996 -2.396 7.865
104 HG3 LYS 14 HG3 LYS 14 5.658 -2.214 8.392
105 HD2 LYS 14 HD2 LYS 14 4.531 -3.138 10.215
106 HD3 LYS 14 HD3 LYS 14 4.738 -1.459 10.673
107 HE2 LYS 14 HE2 LYS 14 2.152 -2.547 9.426
108 HE3 LYS 14 HE3 LYS 14 2.512 -2.675 11.137
109 HZ1 LYS 14 HZ1 LYS 14 2.020 -0.131 9.699
110 HZ2 LYS 14 HZ2 LYS 14 2.727 -0.201 11.163
111 HZ3 LYS 14 HZ3 LYS 14 1.208 -0.794 10.947
112 H ASP 15 H ASP 15 4.119 -1.852 5.275
113 HA ASP 15 HA ASP 15 6.676 -1.271 3.863
114 HB2 ASP 15 HB2 ASP 15 5.557 -3.453 5.320
115 HB3 ASP 15 HB3 ASP 15 5.671 -3.882 3.594
116 H CYS 16 H CYS 16 3.239 -1.745 3.528
117 HA CYS 16 HA CYS 16 3.229 -2.056 0.662
118 HB2 CYS 16 HB2 CYS 16 1.524 -3.139 2.068
119 HB3 CYS 16 HB3 CYS 16 1.101 -1.686 2.750
120 H THR 17 H THR 17 1.704 0.369 2.703
121 HA THR 17 HA THR 17 0.925 2.450 2.247
122 HB THR 17 HB THR 17 3.071 2.844 3.234
123 HG1 THR 17 HG1 THR 17 2.062 4.691 2.861
124 HG21 THR 17 HG21 THR 17 5.013 3.581 1.860
125 HG22 THR 17 HG22 THR 17 4.193 2.975 0.417
126 HG23 THR 17 HG23 THR 17 4.658 1.866 1.731
127 H GLU 18 H GLU 18 0.512 0.665 -0.064
128 HA GLU 18 HA GLU 18 0.923 2.500 -2.351
129 HB2 GLU 18 HB2 GLU 18 -0.015 -0.357 -2.285
130 HB3 GLU 18 HB3 GLU 18 0.289 0.633 -3.715
131 HG2 GLU 18 HG2 GLU 18 2.660 0.869 -2.269
132 HG3 GLU 18 HG3 GLU 18 2.122 -0.797 -1.976
133 H ARG 19 H ARG 19 -1.252 3.052 -0.363
134 HA ARG 19 HA ARG 19 -3.320 3.910 -0.182
135 HB2 ARG 19 HB2 ARG 19 -3.847 5.481 -1.885
136 HB3 ARG 19 HB3 ARG 19 -2.151 5.390 -1.431
137 HG2 ARG 19 HG2 ARG 19 -1.377 4.603 -3.378
138 HG3 ARG 19 HG3 ARG 19 -2.973 4.178 -4.016
139 HD2 ARG 19 HD2 ARG 19 -3.274 6.208 -4.922
140 HD3 ARG 19 HD3 ARG 19 -2.680 7.046 -3.499
141 HE ARG 19 HE ARG 19 -0.805 7.466 -4.733
142 HH11 ARG 19 HH11 ARG 19 -1.615 4.153 -5.537
143 HH12 ARG 19 HH12 ARG 19 -0.155 3.937 -6.444
144 HH21 ARG 19 HH21 ARG 19 0.945 7.155 -5.958
145 HH22 ARG 19 HH22 ARG 19 1.238 5.625 -6.754
146 H5' DT 20 H5' DT 20 5.935 8.271 9.842
147 H5'' DT 20 H5'' DT 20 4.742 8.097 8.545
148 H4' DT 20 H4' DT 20 6.714 9.471 7.899
149 H3' DT 20 H3' DT 20 5.554 7.335 6.363
150 H2' DT 20 H2' DT 20 7.468 6.048 6.346
151 H2'' DT 20 H2'' DT 20 7.920 7.159 5.008
152 H1' DT 20 H1' DT 20 9.068 8.635 6.495
153 H3 DT 20 H3 DT 20 12.841 6.243 5.712
154 H71 DT 20 H71 DT 20 11.702 3.764 9.723
155 H72 DT 20 H72 DT 20 10.961 2.734 8.485
156 H73 DT 20 H73 DT 20 9.934 3.693 9.576
157 H6 DT 20 H6 DT 20 8.989 5.521 8.537
158 HO5' DT 20 HO5' DT 20 5.019 6.020 9.346
159 H5' DA 21 H5' DA 21 6.267 10.788 2.623
160 H5'' DA 21 H5'' DA 21 4.547 11.164 2.627
161 H4' DA 21 H4' DA 21 5.035 10.592 0.404
162 H3' DA 21 H3' DA 21 3.573 8.469 1.929
163 H2' DA 21 H2' DA 21 3.836 6.828 0.291
164 H2'' DA 21 H2'' DA 21 4.168 8.002 -0.946
165 H1' DA 21 H1' DA 21 6.389 7.359 -0.526
166 H8 DA 21 H8 DA 21 4.222 6.478 2.336
167 H61 DA 21 H61 DA 21 9.147 3.524 4.735
168 H62 DA 21 H62 DA 21 7.410 3.813 4.905
169 H2 DA 21 H2 DA 21 10.540 5.840 1.314
170 H5' DC 22 H5' DC 22 -1.259 10.530 0.539
171 H5'' DC 22 H5'' DC 22 -0.789 10.863 2.203
172 H4' DC 22 H4' DC 22 -2.720 9.741 2.499
173 H3' DC 22 H3' DC 22 -0.388 8.221 3.181
174 H2' DC 22 H2' DC 22 -0.942 6.020 2.428
175 H2'' DC 22 H2'' DC 22 -2.663 6.301 2.691
176 H1' DC 22 H1' DC 22 -2.758 6.425 0.427
177 H41 DC 22 H41 DC 22 1.910 8.182 -3.646
178 H42 DC 22 H42 DC 22 2.914 7.031 -2.761
179 H5 DC 22 H5 DC 22 2.133 5.895 -0.810
180 H6 DC 22 H6 DC 22 0.331 5.685 0.784
181 H5' DG 23 H5' DG 23 -3.547 6.437 4.854
182 H5'' DG 23 H5'' DG 23 -3.657 5.837 6.499
183 H4' DG 23 H4' DG 23 -3.549 4.252 4.319
184 H3' DG 23 H3' DG 23 -2.673 3.861 7.124
185 H2' DG 23 H2' DG 23 -1.206 2.233 6.740
186 H2'' DG 23 H2'' DG 23 -2.056 1.516 5.375
187 H1' DG 23 H1' DG 23 -0.799 2.608 3.883
188 H8 DG 23 H8 DG 23 0.817 1.558 6.375
189 H1 DG 23 H1 DG 23 4.062 6.961 5.249
190 H21 DG 23 H21 DG 23 2.945 8.228 3.899
191 H22 DG 23 H22 DG 23 1.420 7.693 3.191
192 H5' DC 24 H5' DC 24 -5.848 5.845 5.403
193 H5'' DC 24 H5'' DC 24 -7.447 5.192 5.087
194 H4' DC 24 H4' DC 24 -5.807 6.669 3.353
195 H3' DC 24 H3' DC 24 -8.270 5.056 2.809
196 H2' DC 24 H2' DC 24 -7.933 5.536 0.429
197 H2'' DC 24 H2'' DC 24 -6.679 6.687 0.871
198 H1' DC 24 H1' DC 24 -5.431 4.732 0.382
199 H41 DC 24 H41 DC 24 -9.022 -0.189 -0.807
200 H42 DC 24 H42 DC 24 -9.248 -0.648 0.873
201 H5 DC 24 H5 DC 24 -8.177 0.721 2.657
202 H6 DC 24 H6 DC 24 -6.902 2.772 3.072
203 H5' DC 25 H5' DC 25 -11.455 6.649 4.594
204 H5'' DC 25 H5'' DC 25 -9.768 6.149 4.741
205 H4' DC 25 H4' DC 25 -11.226 4.494 5.709
206 H3' DC 25 H3' DC 25 -9.534 3.754 3.354
207 HO3' DC 25 HO3' DC 25 -8.967 2.124 5.064
208 H2' DC 25 H2' DC 25 -11.055 2.211 2.636
209 H2'' DC 25 H2'' DC 25 -10.874 1.337 4.176
210 H1' DC 25 H1' DC 25 -12.622 2.517 5.233
211 H41 DC 25 H41 DC 25 -17.235 -0.221 2.072
212 H42 DC 25 H42 DC 25 -16.438 0.055 0.540
213 H5 DC 25 H5 DC 25 -14.649 1.639 0.260
214 H6 DC 25 H6 DC 25 -12.872 2.783 1.487
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 -5.486 -9.303 6.865
2 H2 LYS 1 H2 LYS 1 -6.789 -10.251 7.112
3 H3 LYS 1 H3 LYS 1 -6.195 -10.068 5.598
4 HA LYS 1 HA LYS 1 -4.820 -11.371 7.847
5 HB2 LYS 1 HB2 LYS 1 -5.781 -12.762 5.314
6 HB3 LYS 1 HB3 LYS 1 -4.990 -13.464 6.708
7 HG2 LYS 1 HG2 LYS 1 -7.071 -14.042 7.336
8 HG3 LYS 1 HG3 LYS 1 -7.111 -12.422 7.996
9 HD2 LYS 1 HD2 LYS 1 -9.168 -12.736 6.839
10 HD3 LYS 1 HD3 LYS 1 -8.211 -11.676 5.796
11 HE2 LYS 1 HE2 LYS 1 -7.497 -13.778 4.530
12 HE3 LYS 1 HE3 LYS 1 -8.688 -14.668 5.481
13 HZ1 LYS 1 HZ1 LYS 1 -10.434 -13.341 4.510
14 HZ2 LYS 1 HZ2 LYS 1 -9.510 -13.884 3.294
15 HZ3 LYS 1 HZ3 LYS 1 -9.388 -12.316 3.779
16 H GLY 2 H GLY 2 -4.535 -10.685 4.291
17 HA2 GLY 2 HA2 GLY 2 -1.585 -11.024 4.473
18 HA3 GLY 2 HA3 GLY 2 -2.521 -10.745 3.020
19 H CYS 3 H CYS 3 -2.027 -8.828 2.193
20 HA CYS 3 HA CYS 3 -1.072 -6.478 3.514
21 HB2 CYS 3 HB2 CYS 3 -0.951 -7.207 1.009
22 HB3 CYS 3 HB3 CYS 3 -2.587 -6.585 0.910
23 H TRP 4 H TRP 4 -2.277 -4.483 3.174
24 HA TRP 4 HA TRP 4 -5.048 -4.419 4.276
25 HB2 TRP 4 HB2 TRP 4 -3.644 -2.867 5.359
26 HB3 TRP 4 HB3 TRP 4 -2.680 -2.633 3.960
27 HD1 TRP 4 HD1 TRP 4 -6.335 -1.620 4.904
28 HE1 TRP 4 HE1 TRP 4 -6.573 0.865 4.204
29 HE3 TRP 4 HE3 TRP 4 -1.654 -0.896 3.036
30 HZ2 TRP 4 HZ2 TRP 4 -4.872 2.854 3.027
31 HZ3 TRP 4 HZ3 TRP 4 -0.982 1.227 2.132
32 HH2 TRP 4 HH2 TRP 4 -2.592 3.172 2.049
33 H LYS 5 H LYS 5 -3.213 -3.197 1.431
34 HA LYS 5 HA LYS 5 -5.820 -2.828 0.011
35 HB2 LYS 5 HB2 LYS 5 -5.191 -0.849 -0.804
36 HB3 LYS 5 HB3 LYS 5 -4.356 -0.811 0.711
37 HG2 LYS 5 HG2 LYS 5 -2.663 -0.040 -0.608
38 HG3 LYS 5 HG3 LYS 5 -2.304 -1.757 -0.693
39 HD2 LYS 5 HD2 LYS 5 -2.125 -0.729 -2.925
40 HD3 LYS 5 HD3 LYS 5 -3.436 -1.883 -2.903
41 HE2 LYS 5 HE2 LYS 5 -4.675 0.488 -2.103
42 HE3 LYS 5 HE3 LYS 5 -3.513 1.124 -3.203
43 HZ1 LYS 5 HZ1 LYS 5 -5.842 0.224 -4.017
44 HZ2 LYS 5 HZ2 LYS 5 -5.121 -1.272 -4.023
45 HZ3 LYS 5 HZ3 LYS 5 -4.546 -0.080 -4.954
46 H CYS 6 H CYS 6 -2.653 -4.322 -0.405
47 HA CYS 6 HA CYS 6 -2.857 -4.602 -3.256
48 HB2 CYS 6 HB2 CYS 6 -1.152 -6.222 -1.321
49 HB3 CYS 6 HB3 CYS 6 -0.873 -5.952 -3.043
50 H GLY 7 H GLY 7 -3.537 -6.721 -0.554
51 HA2 GLY 7 HA2 GLY 7 -5.306 -8.131 -0.336
52 HA3 GLY 7 HA3 GLY 7 -5.453 -8.363 -2.087
53 H LYS 8 H LYS 8 -2.435 -8.805 -0.279
54 HA LYS 8 HA LYS 8 -2.435 -11.746 -0.817
55 HB2 LYS 8 HB2 LYS 8 -0.189 -9.953 -1.689
56 HB3 LYS 8 HB3 LYS 8 -0.539 -11.587 -2.232
57 HG2 LYS 8 HG2 LYS 8 -2.466 -10.768 -3.535
58 HG3 LYS 8 HG3 LYS 8 -2.179 -9.107 -3.011
59 HD2 LYS 8 HD2 LYS 8 -0.069 -10.653 -4.504
60 HD3 LYS 8 HD3 LYS 8 -1.382 -9.798 -5.312
61 HE2 LYS 8 HE2 LYS 8 0.623 -8.451 -5.308
62 HE3 LYS 8 HE3 LYS 8 -0.688 -7.655 -4.444
63 HZ1 LYS 8 HZ1 LYS 8 1.576 -7.596 -3.329
64 HZ2 LYS 8 HZ2 LYS 8 1.452 -9.200 -3.079
65 HZ3 LYS 8 HZ3 LYS 8 0.399 -8.178 -2.364
66 H GLU 9 H GLU 9 -0.544 -12.840 0.276
67 HA GLU 9 HA GLU 9 0.244 -11.449 2.766
68 HB2 GLU 9 HB2 GLU 9 0.782 -14.251 1.778
69 HB3 GLU 9 HB3 GLU 9 1.391 -13.580 3.307
70 HG2 GLU 9 HG2 GLU 9 -1.089 -13.035 3.807
71 HG3 GLU 9 HG3 GLU 9 -1.460 -14.188 2.527
72 H GLY 10 H GLY 10 1.223 -9.972 0.717
73 HA2 GLY 10 HA2 GLY 10 4.054 -10.662 0.221
74 HA3 GLY 10 HA3 GLY 10 3.169 -9.258 -0.382
75 H HIS 11 H HIS 11 2.112 -8.352 2.188
76 HA HIS 11 HA HIS 11 4.202 -7.891 4.073
77 HB2 HIS 11 HB2 HIS 11 4.455 -5.426 3.532
78 HB3 HIS 11 HB3 HIS 11 5.247 -6.499 2.393
79 HD1 HIS 11 HD1 HIS 11 4.729 -5.808 -0.116
80 HD2 HIS 11 HD2 HIS 11 1.861 -4.617 2.699
81 HE1 HIS 11 HE1 HIS 11 3.026 -4.391 -1.375
82 H GLN 12 H GLN 12 3.582 -5.710 5.279
83 HA GLN 12 HA GLN 12 0.628 -5.362 5.774
84 HB2 GLN 12 HB2 GLN 12 2.831 -6.021 7.496
85 HB3 GLN 12 HB3 GLN 12 2.584 -4.319 7.716
86 HG2 GLN 12 HG2 GLN 12 0.226 -4.766 8.377
87 HG3 GLN 12 HG3 GLN 12 0.420 -6.478 7.955
88 HE21 GLN 12 HE21 GLN 12 0.795 -4.174 10.509
89 HE22 GLN 12 HE22 GLN 12 1.751 -5.172 11.575
90 H MET 13 H MET 13 0.067 -3.259 6.611
91 HA MET 13 HA MET 13 0.133 -1.327 4.691
92 HB2 MET 13 HB2 MET 13 0.018 -0.934 7.721
93 HB3 MET 13 HB3 MET 13 -0.519 0.255 6.523
94 HG2 MET 13 HG2 MET 13 -2.384 -0.893 5.964
95 HG3 MET 13 HG3 MET 13 -1.663 -2.394 6.135
96 HE1 MET 13 HE1 MET 13 -3.698 0.384 7.864
97 HE2 MET 13 HE2 MET 13 -3.676 -0.079 9.582
98 HE3 MET 13 HE3 MET 13 -2.196 0.536 8.814
99 H LYS 14 H LYS 14 2.438 -1.526 7.365
100 HA LYS 14 HA LYS 14 3.863 0.872 6.895
101 HB2 LYS 14 HB2 LYS 14 4.366 -1.723 8.361
102 HB3 LYS 14 HB3 LYS 14 5.642 -0.531 8.262
103 HG2 LYS 14 HG2 LYS 14 4.577 1.002 9.597
104 HG3 LYS 14 HG3 LYS 14 2.959 0.548 9.087
105 HD2 LYS 14 HD2 LYS 14 4.652 -1.306 10.769
106 HD3 LYS 14 HD3 LYS 14 3.711 -0.010 11.523
107 HE2 LYS 14 HE2 LYS 14 2.528 -2.183 9.728
108 HE3 LYS 14 HE3 LYS 14 2.609 -2.295 11.491
109 HZ1 LYS 14 HZ1 LYS 14 1.175 -0.398 11.696
110 HZ2 LYS 14 HZ2 LYS 14 0.445 -1.470 10.715
111 HZ3 LYS 14 HZ3 LYS 14 1.133 -0.098 10.085
112 H ASP 15 H ASP 15 4.154 -2.207 5.339
113 HA ASP 15 HA ASP 15 6.568 -1.296 3.799
114 HB2 ASP 15 HB2 ASP 15 5.467 -3.909 4.749
115 HB3 ASP 15 HB3 ASP 15 6.179 -3.904 3.135
116 H CYS 16 H CYS 16 3.215 -1.761 3.551
117 HA CYS 16 HA CYS 16 3.003 -1.953 0.678
118 HB2 CYS 16 HB2 CYS 16 1.333 -2.807 2.442
119 HB3 CYS 16 HB3 CYS 16 0.965 -1.259 2.812
120 H THR 17 H THR 17 1.641 0.469 2.822
121 HA THR 17 HA THR 17 0.816 2.541 2.279
122 HB THR 17 HB THR 17 2.557 3.171 3.540
123 HG1 THR 17 HG1 THR 17 3.464 5.006 2.663
124 HG21 THR 17 HG21 THR 17 4.936 3.432 2.836
125 HG22 THR 17 HG22 THR 17 4.541 2.514 1.378
126 HG23 THR 17 HG23 THR 17 4.362 1.778 2.980
127 H GLU 18 H GLU 18 0.387 0.788 0.133
128 HA GLU 18 HA GLU 18 0.956 2.368 -2.313
129 HB2 GLU 18 HB2 GLU 18 -0.134 -0.436 -1.938
130 HB3 GLU 18 HB3 GLU 18 0.102 0.345 -3.489
131 HG2 GLU 18 HG2 GLU 18 2.202 -0.500 -1.540
132 HG3 GLU 18 HG3 GLU 18 1.895 -1.171 -3.137
133 H ARG 19 H ARG 19 -1.187 3.036 -0.290
134 HA ARG 19 HA ARG 19 -3.128 4.126 -0.182
135 HB2 ARG 19 HB2 ARG 19 -3.474 5.671 -1.821
136 HB3 ARG 19 HB3 ARG 19 -1.769 5.238 -1.791
137 HG2 ARG 19 HG2 ARG 19 -1.554 4.571 -3.863
138 HG3 ARG 19 HG3 ARG 19 -3.182 3.973 -3.981
139 HD2 ARG 19 HD2 ARG 19 -3.524 6.759 -3.743
140 HD3 ARG 19 HD3 ARG 19 -2.056 6.571 -4.718
141 HE ARG 19 HE ARG 19 -4.211 4.852 -5.628
142 HH11 ARG 19 HH11 ARG 19 -3.076 8.187 -5.822
143 HH12 ARG 19 HH12 ARG 19 -4.029 8.496 -7.251
144 HH21 ARG 19 HH21 ARG 19 -5.252 5.312 -7.565
145 HH22 ARG 19 HH22 ARG 19 -4.959 6.852 -8.331
146 H5' DT 20 H5' DT 20 8.546 2.974 5.005
147 H5'' DT 20 H5'' DT 20 6.899 3.431 4.545
148 H4' DT 20 H4' DT 20 8.470 5.326 4.589
149 H3' DT 20 H3' DT 20 6.728 4.730 2.327
150 H2' DT 20 H2' DT 20 8.525 4.713 0.856
151 H2'' DT 20 H2'' DT 20 8.324 6.489 0.989
152 H1' DT 20 H1' DT 20 10.009 6.565 2.762
153 H3 DT 20 H3 DT 20 14.144 4.393 1.050
154 H71 DT 20 H71 DT 20 12.017 6.048 -2.987
155 H72 DT 20 H72 DT 20 12.677 7.511 -2.247
156 H73 DT 20 H73 DT 20 10.924 7.257 -2.266
157 H6 DT 20 H6 DT 20 10.131 6.709 -0.205
158 HO5' DT 20 HO5' DT 20 8.002 1.453 3.597
159 H5' DA 21 H5' DA 21 6.475 9.178 1.968
160 H5'' DA 21 H5'' DA 21 4.798 9.646 2.288
161 H4' DA 21 H4' DA 21 5.499 10.357 0.106
162 H3' DA 21 H3' DA 21 3.259 8.584 0.465
163 H2' DA 21 H2' DA 21 3.467 7.182 -1.310
164 H2'' DA 21 H2'' DA 21 3.812 8.435 -2.395
165 H1' DA 21 H1' DA 21 6.013 7.853 -2.460
166 H8 DA 21 H8 DA 21 4.097 5.876 0.112
167 H61 DA 21 H61 DA 21 8.116 1.287 -1.114
168 H62 DA 21 H62 DA 21 6.646 1.694 -0.265
169 H2 DA 21 H2 DA 21 9.737 4.938 -2.873
170 H5' DC 22 H5' DC 22 -0.379 11.062 0.473
171 H5'' DC 22 H5'' DC 22 0.852 10.604 1.651
172 H4' DC 22 H4' DC 22 -1.445 9.990 2.275
173 H3' DC 22 H3' DC 22 0.678 8.019 2.188
174 H2' DC 22 H2' DC 22 -0.533 6.018 1.919
175 H2'' DC 22 H2'' DC 22 -2.047 6.727 2.427
176 H1' DC 22 H1' DC 22 -2.488 6.889 0.220
177 H41 DC 22 H41 DC 22 1.082 6.765 -4.879
178 H42 DC 22 H42 DC 22 2.195 5.718 -3.989
179 H5 DC 22 H5 DC 22 2.032 5.380 -1.674
180 H6 DC 22 H6 DC 22 0.740 5.828 0.324
181 H5' DG 23 H5' DG 23 -3.405 6.506 3.916
182 H5'' DG 23 H5'' DG 23 -3.989 6.306 5.536
183 H4' DG 23 H4' DG 23 -3.314 4.235 4.096
184 H3' DG 23 H3' DG 23 -2.448 4.469 6.975
185 H2' DG 23 H2' DG 23 -1.248 2.491 6.769
186 H2'' DG 23 H2'' DG 23 -2.140 1.882 5.379
187 H1' DG 23 H1' DG 23 -0.618 2.839 3.979
188 H8 DG 23 H8 DG 23 0.966 1.668 6.234
189 H1 DG 23 H1 DG 23 3.999 7.315 6.247
190 H21 DG 23 H21 DG 23 2.707 8.847 5.464
191 H22 DG 23 H22 DG 23 1.130 8.404 4.753
192 H5' DC 24 H5' DC 24 -6.285 6.532 5.313
193 H5'' DC 24 H5'' DC 24 -7.563 5.356 4.974
194 H4' DC 24 H4' DC 24 -5.882 6.877 3.121
195 H3' DC 24 H3' DC 24 -8.382 5.203 2.767
196 H2' DC 24 H2' DC 24 -7.901 5.477 0.301
197 H2'' DC 24 H2'' DC 24 -6.601 6.609 0.700
198 H1' DC 24 H1' DC 24 -5.459 4.552 0.553
199 H41 DC 24 H41 DC 24 -9.286 -0.671 1.569
200 H42 DC 24 H42 DC 24 -9.164 -0.528 -0.190
201 H5 DC 24 H5 DC 24 -8.042 1.251 -1.253
202 H6 DC 24 H6 DC 24 -6.848 3.332 -0.916
203 H5' DC 25 H5' DC 25 -12.608 6.317 1.818
204 H5'' DC 25 H5'' DC 25 -11.778 5.171 2.868
205 H4' DC 25 H4' DC 25 -12.939 3.901 1.272
206 H3' DC 25 H3' DC 25 -10.023 3.827 1.294
207 HO3' DC 25 HO3' DC 25 -10.490 1.576 1.110
208 H2' DC 25 H2' DC 25 -9.856 4.219 -0.973
209 H2'' DC 25 H2'' DC 25 -10.346 2.504 -1.132
210 H1' DC 25 H1' DC 25 -12.664 3.092 -1.338
211 H41 DC 25 H41 DC 25 -11.252 4.967 -7.244
212 H42 DC 25 H42 DC 25 -10.981 6.614 -6.675
213 H5 DC 25 H5 DC 25 -11.159 7.271 -4.409
214 H6 DC 25 H6 DC 25 -11.511 6.478 -2.120
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 -6.885 -9.281 3.767
2 H2 LYS 1 H2 LYS 1 -7.235 -9.119 5.369
3 H3 LYS 1 H3 LYS 1 -8.058 -10.217 4.468
4 HA LYS 1 HA LYS 1 -5.919 -10.658 6.034
5 HB2 LYS 1 HB2 LYS 1 -5.931 -12.951 5.156
6 HB3 LYS 1 HB3 LYS 1 -7.542 -12.334 5.496
7 HG2 LYS 1 HG2 LYS 1 -7.701 -11.793 2.961
8 HG3 LYS 1 HG3 LYS 1 -6.250 -12.788 2.782
9 HD2 LYS 1 HD2 LYS 1 -7.391 -14.730 3.650
10 HD3 LYS 1 HD3 LYS 1 -8.786 -13.747 4.123
11 HE2 LYS 1 HE2 LYS 1 -9.270 -13.236 1.758
12 HE3 LYS 1 HE3 LYS 1 -7.879 -14.208 1.249
13 HZ1 LYS 1 HZ1 LYS 1 -10.200 -15.226 2.790
14 HZ2 LYS 1 HZ2 LYS 1 -8.925 -16.139 2.273
15 HZ3 LYS 1 HZ3 LYS 1 -9.971 -15.511 1.186
16 H GLY 2 H GLY 2 -3.698 -10.922 5.890
17 HA2 GLY 2 HA2 GLY 2 -1.592 -10.883 4.914
18 HA3 GLY 2 HA3 GLY 2 -2.334 -10.843 3.313
19 H CYS 3 H CYS 3 -1.861 -9.021 2.175
20 HA CYS 3 HA CYS 3 -0.808 -6.590 3.315
21 HB2 CYS 3 HB2 CYS 3 -1.173 -7.609 0.712
22 HB3 CYS 3 HB3 CYS 3 -2.268 -6.233 0.811
23 H TRP 4 H TRP 4 -1.874 -4.530 3.219
24 HA TRP 4 HA TRP 4 -4.552 -4.413 4.376
25 HB2 TRP 4 HB2 TRP 4 -3.194 -2.693 5.142
26 HB3 TRP 4 HB3 TRP 4 -2.331 -2.571 3.640
27 HD1 TRP 4 HD1 TRP 4 -6.135 -1.888 4.153
28 HE1 TRP 4 HE1 TRP 4 -6.561 0.519 3.380
29 HE3 TRP 4 HE3 TRP 4 -1.320 -0.514 3.145
30 HZ2 TRP 4 HZ2 TRP 4 -4.994 2.742 2.431
31 HZ3 TRP 4 HZ3 TRP 4 -0.805 1.759 2.431
32 HH2 TRP 4 HH2 TRP 4 -2.595 3.464 2.177
33 H LYS 5 H LYS 5 -3.266 -3.012 1.335
34 HA LYS 5 HA LYS 5 -6.026 -2.944 0.246
35 HB2 LYS 5 HB2 LYS 5 -5.279 -1.244 -1.203
36 HB3 LYS 5 HB3 LYS 5 -4.684 -0.904 0.414
37 HG2 LYS 5 HG2 LYS 5 -2.780 -0.430 -0.706
38 HG3 LYS 5 HG3 LYS 5 -2.485 -2.140 -0.457
39 HD2 LYS 5 HD2 LYS 5 -1.949 -1.743 -2.742
40 HD3 LYS 5 HD3 LYS 5 -3.525 -2.505 -2.815
41 HE2 LYS 5 HE2 LYS 5 -4.632 -0.380 -3.089
42 HE3 LYS 5 HE3 LYS 5 -3.147 0.507 -2.764
43 HZ1 LYS 5 HZ1 LYS 5 -2.249 -0.504 -4.845
44 HZ2 LYS 5 HZ2 LYS 5 -3.563 0.426 -5.130
45 HZ3 LYS 5 HZ3 LYS 5 -3.710 -1.200 -5.114
46 H CYS 6 H CYS 6 -2.824 -4.236 -0.705
47 HA CYS 6 HA CYS 6 -3.548 -5.155 -3.200
48 HB2 CYS 6 HB2 CYS 6 -1.464 -6.593 -1.568
49 HB3 CYS 6 HB3 CYS 6 -1.452 -6.098 -3.262
50 H GLY 7 H GLY 7 -3.107 -7.200 -0.344
51 HA2 GLY 7 HA2 GLY 7 -4.612 -8.870 0.495
52 HA3 GLY 7 HA3 GLY 7 -5.431 -8.879 -1.071
53 H LYS 8 H LYS 8 -1.976 -9.271 -0.316
54 HA LYS 8 HA LYS 8 -2.063 -12.052 -1.394
55 HB2 LYS 8 HB2 LYS 8 0.092 -10.058 -2.070
56 HB3 LYS 8 HB3 LYS 8 -0.179 -11.627 -2.812
57 HG2 LYS 8 HG2 LYS 8 -2.248 -10.862 -3.861
58 HG3 LYS 8 HG3 LYS 8 -2.069 -9.250 -3.158
59 HD2 LYS 8 HD2 LYS 8 0.127 -10.402 -4.897
60 HD3 LYS 8 HD3 LYS 8 -1.327 -9.689 -5.600
61 HE2 LYS 8 HE2 LYS 8 0.469 -8.044 -5.510
62 HE3 LYS 8 HE3 LYS 8 -0.927 -7.553 -4.562
63 HZ1 LYS 8 HZ1 LYS 8 1.569 -8.704 -3.466
64 HZ2 LYS 8 HZ2 LYS 8 0.269 -8.261 -2.555
65 HZ3 LYS 8 HZ3 LYS 8 1.127 -7.136 -3.367
66 H GLU 9 H GLU 9 -1.571 -10.939 1.363
67 HA GLU 9 HA GLU 9 -0.096 -11.204 3.181
68 HB2 GLU 9 HB2 GLU 9 0.172 -13.866 1.754
69 HB3 GLU 9 HB3 GLU 9 0.505 -13.566 3.458
70 HG2 GLU 9 HG2 GLU 9 -1.790 -13.129 3.954
71 HG3 GLU 9 HG3 GLU 9 -2.242 -13.060 2.249
72 H GLY 10 H GLY 10 1.346 -9.831 0.987
73 HA2 GLY 10 HA2 GLY 10 4.037 -11.014 0.964
74 HA3 GLY 10 HA3 GLY 10 3.502 -9.526 0.168
75 H HIS 11 H HIS 11 2.373 -8.195 2.404
76 HA HIS 11 HA HIS 11 4.284 -8.036 4.572
77 HB2 HIS 11 HB2 HIS 11 4.946 -5.642 4.059
78 HB3 HIS 11 HB3 HIS 11 5.640 -6.850 3.015
79 HD1 HIS 11 HD1 HIS 11 5.747 -5.876 0.664
80 HD2 HIS 11 HD2 HIS 11 2.326 -4.669 2.793
81 HE1 HIS 11 HE1 HIS 11 4.294 -4.448 -0.915
82 H GLN 12 H GLN 12 3.774 -5.487 5.458
83 HA GLN 12 HA GLN 12 0.818 -5.123 5.697
84 HB2 GLN 12 HB2 GLN 12 2.201 -5.976 7.757
85 HB3 GLN 12 HB3 GLN 12 2.925 -4.378 7.751
86 HG2 GLN 12 HG2 GLN 12 0.861 -3.317 8.341
87 HG3 GLN 12 HG3 GLN 12 -0.087 -4.725 7.842
88 HE21 GLN 12 HE21 GLN 12 0.196 -6.734 9.092
89 HE22 GLN 12 HE22 GLN 12 0.337 -6.507 10.852
90 H MET 13 H MET 13 0.312 -2.939 6.403
91 HA MET 13 HA MET 13 0.526 -0.963 4.547
92 HB2 MET 13 HB2 MET 13 0.367 -0.776 7.561
93 HB3 MET 13 HB3 MET 13 0.012 0.531 6.414
94 HG2 MET 13 HG2 MET 13 -1.834 -0.573 5.506
95 HG3 MET 13 HG3 MET 13 -1.369 -2.100 6.109
96 HE1 MET 13 HE1 MET 13 -3.568 -2.914 8.484
97 HE2 MET 13 HE2 MET 13 -2.014 -3.253 7.723
98 HE3 MET 13 HE3 MET 13 -2.062 -2.624 9.384
99 H LYS 14 H LYS 14 2.847 -1.371 7.222
100 HA LYS 14 HA LYS 14 4.344 1.005 6.675
101 HB2 LYS 14 HB2 LYS 14 4.742 -1.463 8.293
102 HB3 LYS 14 HB3 LYS 14 6.064 -0.314 8.154
103 HG2 LYS 14 HG2 LYS 14 4.862 1.409 9.247
104 HG3 LYS 14 HG3 LYS 14 3.307 0.609 9.040
105 HD2 LYS 14 HD2 LYS 14 5.211 -1.109 10.495
106 HD3 LYS 14 HD3 LYS 14 5.048 0.453 11.273
107 HE2 LYS 14 HE2 LYS 14 3.496 -1.255 12.189
108 HE3 LYS 14 HE3 LYS 14 2.684 0.191 11.580
109 HZ1 LYS 14 HZ1 LYS 14 1.587 -1.871 10.940
110 HZ2 LYS 14 HZ2 LYS 14 2.897 -2.311 10.035
111 HZ3 LYS 14 HZ3 LYS 14 1.977 -0.928 9.687
112 H ASP 15 H ASP 15 4.373 -2.018 5.148
113 HA ASP 15 HA ASP 15 6.790 -1.269 3.545
114 HB2 ASP 15 HB2 ASP 15 5.827 -3.773 4.776
115 HB3 ASP 15 HB3 ASP 15 6.328 -3.944 3.102
116 H CYS 16 H CYS 16 3.418 -1.552 3.428
117 HA CYS 16 HA CYS 16 3.198 -2.012 0.560
118 HB2 CYS 16 HB2 CYS 16 1.635 -2.893 2.384
119 HB3 CYS 16 HB3 CYS 16 1.102 -1.382 2.646
120 H THR 17 H THR 17 2.009 0.523 2.733
121 HA THR 17 HA THR 17 1.151 2.581 2.281
122 HB THR 17 HB THR 17 3.345 3.032 2.992
123 HG1 THR 17 HG1 THR 17 2.357 4.900 2.661
124 HG21 THR 17 HG21 THR 17 4.818 2.028 1.418
125 HG22 THR 17 HG22 THR 17 5.128 3.772 1.417
126 HG23 THR 17 HG23 THR 17 4.202 3.034 0.092
127 H GLU 18 H GLU 18 0.256 0.810 0.178
128 HA GLU 18 HA GLU 18 0.385 2.516 -2.231
129 HB2 GLU 18 HB2 GLU 18 -0.770 -0.188 -1.706
130 HB3 GLU 18 HB3 GLU 18 -0.814 0.596 -3.285
131 HG2 GLU 18 HG2 GLU 18 1.633 -0.181 -1.730
132 HG3 GLU 18 HG3 GLU 18 0.960 -1.062 -3.076
133 H ARG 19 H ARG 19 -1.598 3.093 0.184
134 HA ARG 19 HA ARG 19 -3.505 4.263 0.466
135 HB2 ARG 19 HB2 ARG 19 -2.564 5.527 -1.581
136 HB3 ARG 19 HB3 ARG 19 -3.666 4.600 -2.574
137 HG2 ARG 19 HG2 ARG 19 -5.584 5.593 -1.469
138 HG3 ARG 19 HG3 ARG 19 -4.527 6.454 -0.345
139 HD2 ARG 19 HD2 ARG 19 -3.925 8.030 -1.940
140 HD3 ARG 19 HD3 ARG 19 -4.018 6.870 -3.278
141 HE ARG 19 HE ARG 19 -6.644 7.142 -2.513
142 HH11 ARG 19 HH11 ARG 19 -4.330 9.515 -3.743
143 HH12 ARG 19 HH12 ARG 19 -5.645 10.540 -4.276
144 HH21 ARG 19 HH21 ARG 19 -8.096 8.319 -3.355
145 HH22 ARG 19 HH22 ARG 19 -7.750 9.874 -4.105
146 H5' DT 20 H5' DT 20 10.668 1.403 2.401
147 H5'' DT 20 H5'' DT 20 9.700 2.868 2.359
148 H4' DT 20 H4' DT 20 10.177 2.225 0.108
149 H3' DT 20 H3' DT 20 7.367 2.215 0.949
150 H2' DT 20 H2' DT 20 7.021 0.072 0.168
151 H2'' DT 20 H2'' DT 20 7.004 0.875 -1.432
152 H1' DT 20 H1' DT 20 9.363 0.461 -1.740
153 H3 DT 20 H3 DT 20 10.705 -4.193 -1.305
154 H71 DT 20 H71 DT 20 6.578 -4.116 -3.897
155 H72 DT 20 H72 DT 20 5.556 -3.192 -2.774
156 H73 DT 20 H73 DT 20 6.093 -4.827 -2.351
157 H6 DT 20 H6 DT 20 6.802 -1.428 -1.913
158 HO5' DT 20 HO5' DT 20 8.032 1.860 3.174
159 H5' DA 21 H5' DA 21 7.861 7.113 -1.940
160 H5'' DA 21 H5'' DA 21 7.620 7.179 -0.193
161 H4' DA 21 H4' DA 21 5.893 8.458 -1.133
162 H3' DA 21 H3' DA 21 5.160 5.900 0.086
163 H2' DA 21 H2' DA 21 3.262 5.365 -0.955
164 H2'' DA 21 H2'' DA 21 2.818 6.997 -1.380
165 H1' DA 21 H1' DA 21 3.597 6.473 -3.472
166 H8 DA 21 H8 DA 21 3.405 3.608 -2.049
167 H61 DA 21 H61 DA 21 8.500 1.198 -4.842
168 H62 DA 21 H62 DA 21 7.020 0.732 -3.979
169 H2 DA 21 H2 DA 21 8.600 5.425 -5.416
170 H5' DC 22 H5' DC 22 0.689 9.885 -0.628
171 H5'' DC 22 H5'' DC 22 1.352 10.618 0.819
172 H4' DC 22 H4' DC 22 -0.658 10.346 1.677
173 H3' DC 22 H3' DC 22 0.792 8.219 2.595
174 H2' DC 22 H2' DC 22 0.175 6.387 1.365
175 H2'' DC 22 H2'' DC 22 -1.429 6.526 2.111
176 H1' DC 22 H1' DC 22 -2.316 7.143 0.118
177 H41 DC 22 H41 DC 22 1.082 7.074 -5.332
178 H42 DC 22 H42 DC 22 1.633 5.494 -4.756
179 H5 DC 22 H5 DC 22 1.098 4.719 -2.559
180 H6 DC 22 H6 DC 22 0.081 5.312 -0.429
181 H5' DG 23 H5' DG 23 -2.426 6.761 4.169
182 H5'' DG 23 H5'' DG 23 -2.739 6.713 5.901
183 H4' DG 23 H4' DG 23 -2.677 4.509 4.523
184 H3' DG 23 H3' DG 23 -1.206 4.829 7.120
185 H2' DG 23 H2' DG 23 -0.290 2.722 6.886
186 H2'' DG 23 H2'' DG 23 -1.456 2.134 5.711
187 H1' DG 23 H1' DG 23 -0.081 2.802 4.020
188 H8 DG 23 H8 DG 23 1.683 1.894 6.425
189 H1 DG 23 H1 DG 23 5.273 6.718 4.203
190 H21 DG 23 H21 DG 23 3.898 8.388 3.523
191 H22 DG 23 H22 DG 23 2.155 8.131 3.691
192 H5' DC 24 H5' DC 24 -6.687 4.200 5.893
193 H5'' DC 24 H5'' DC 24 -5.239 3.277 5.504
194 H4' DC 24 H4' DC 24 -4.708 4.576 3.635
195 H3' DC 24 H3' DC 24 -6.838 6.511 4.496
196 H2' DC 24 H2' DC 24 -6.863 7.165 2.209
197 H2'' DC 24 H2'' DC 24 -5.250 6.496 1.903
198 H1' DC 24 H1' DC 24 -6.070 4.480 1.373
199 H41 DC 24 H41 DC 24 -12.523 4.893 0.278
200 H42 DC 24 H42 DC 24 -11.959 6.170 -0.802
201 H5 DC 24 H5 DC 24 -9.731 6.946 -0.824
202 H6 DC 24 H6 DC 24 -7.529 6.674 0.146
203 H5' DC 25 H5' DC 25 -7.309 9.875 5.975
204 H5'' DC 25 H5'' DC 25 -7.571 8.125 5.865
205 H4' DC 25 H4' DC 25 -9.622 9.520 5.504
206 H3' DC 25 H3' DC 25 -8.801 7.312 3.810
207 HO3' DC 25 HO3' DC 25 -10.992 6.866 4.054
208 H2' DC 25 H2' DC 25 -8.854 8.632 1.877
209 H2'' DC 25 H2'' DC 25 -10.622 8.383 2.029
210 H1' DC 25 H1' DC 25 -10.851 10.445 3.313
211 H41 DC 25 H41 DC 25 -9.057 14.710 -1.107
212 H42 DC 25 H42 DC 25 -9.785 13.597 -2.264
213 H5 DC 25 H5 DC 25 -10.522 11.393 -1.580
214 H6 DC 25 H6 DC 25 -10.704 9.872 0.306
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 -6.588 -11.492 4.215
2 H2 LYS 1 H2 LYS 1 -6.530 -10.179 5.206
3 H3 LYS 1 H3 LYS 1 -7.566 -11.376 5.543
4 HA LYS 1 HA LYS 1 -5.630 -11.345 7.005
5 HB2 LYS 1 HB2 LYS 1 -5.268 -13.713 7.037
6 HB3 LYS 1 HB3 LYS 1 -6.960 -13.377 6.774
7 HG2 LYS 1 HG2 LYS 1 -5.240 -13.877 4.327
8 HG3 LYS 1 HG3 LYS 1 -5.537 -15.233 5.397
9 HD2 LYS 1 HD2 LYS 1 -7.748 -13.602 4.085
10 HD3 LYS 1 HD3 LYS 1 -7.089 -15.122 3.474
11 HE2 LYS 1 HE2 LYS 1 -7.735 -16.236 5.642
12 HE3 LYS 1 HE3 LYS 1 -8.485 -14.718 6.149
13 HZ1 LYS 1 HZ1 LYS 1 -9.373 -16.564 4.044
14 HZ2 LYS 1 HZ2 LYS 1 -9.770 -14.998 3.907
15 HZ3 LYS 1 HZ3 LYS 1 -10.261 -15.819 5.206
16 H GLY 2 H GLY 2 -4.522 -9.807 4.807
17 HA2 GLY 2 HA2 GLY 2 -1.736 -10.675 4.951
18 HA3 GLY 2 HA3 GLY 2 -2.450 -10.786 3.341
19 H CYS 3 H CYS 3 -1.967 -9.001 2.100
20 HA CYS 3 HA CYS 3 -0.952 -6.548 3.216
21 HB2 CYS 3 HB2 CYS 3 -0.892 -7.620 0.728
22 HB3 CYS 3 HB3 CYS 3 -2.211 -6.491 0.516
23 H TRP 4 H TRP 4 -1.900 -4.625 3.509
24 HA TRP 4 HA TRP 4 -4.577 -4.372 4.415
25 HB2 TRP 4 HB2 TRP 4 -2.982 -2.866 5.277
26 HB3 TRP 4 HB3 TRP 4 -2.253 -2.610 3.733
27 HD1 TRP 4 HD1 TRP 4 -5.879 -1.737 4.926
28 HE1 TRP 4 HE1 TRP 4 -6.263 0.723 4.310
29 HE3 TRP 4 HE3 TRP 4 -1.261 -0.690 3.040
30 HZ2 TRP 4 HZ2 TRP 4 -4.673 2.892 3.221
31 HZ3 TRP 4 HZ3 TRP 4 -0.749 1.492 2.141
32 HH2 TRP 4 HH2 TRP 4 -2.443 3.351 2.193
33 H LYS 5 H LYS 5 -3.138 -3.331 1.320
34 HA LYS 5 HA LYS 5 -5.879 -2.786 0.252
35 HB2 LYS 5 HB2 LYS 5 -5.017 -0.923 -0.903
36 HB3 LYS 5 HB3 LYS 5 -4.326 -0.859 0.683
37 HG2 LYS 5 HG2 LYS 5 -2.478 -0.355 -0.562
38 HG3 LYS 5 HG3 LYS 5 -2.300 -2.092 -0.405
39 HD2 LYS 5 HD2 LYS 5 -1.789 -1.675 -2.650
40 HD3 LYS 5 HD3 LYS 5 -3.438 -2.259 -2.753
41 HE2 LYS 5 HE2 LYS 5 -4.275 0.033 -3.006
42 HE3 LYS 5 HE3 LYS 5 -2.676 0.682 -2.654
43 HZ1 LYS 5 HZ1 LYS 5 -1.892 -0.566 -4.679
44 HZ2 LYS 5 HZ2 LYS 5 -2.893 0.695 -4.989
45 HZ3 LYS 5 HZ3 LYS 5 -3.453 -0.880 -5.044
46 H CYS 6 H CYS 6 -2.875 -4.457 -0.509
47 HA CYS 6 HA CYS 6 -3.419 -4.841 -3.248
48 HB2 CYS 6 HB2 CYS 6 -1.439 -6.407 -1.568
49 HB3 CYS 6 HB3 CYS 6 -1.350 -5.968 -3.272
50 H GLY 7 H GLY 7 -3.609 -7.034 -0.504
51 HA2 GLY 7 HA2 GLY 7 -5.127 -8.739 -0.149
52 HA3 GLY 7 HA3 GLY 7 -5.499 -8.798 -1.888
53 H LYS 8 H LYS 8 -2.247 -9.104 -0.494
54 HA LYS 8 HA LYS 8 -2.142 -11.893 -1.570
55 HB2 LYS 8 HB2 LYS 8 -0.052 -9.784 -2.070
56 HB3 LYS 8 HB3 LYS 8 -0.211 -11.343 -2.866
57 HG2 LYS 8 HG2 LYS 8 -2.317 -10.610 -3.941
58 HG3 LYS 8 HG3 LYS 8 -2.136 -8.996 -3.248
59 HD2 LYS 8 HD2 LYS 8 0.010 -10.206 -5.006
60 HD3 LYS 8 HD3 LYS 8 -1.409 -9.392 -5.657
61 HE2 LYS 8 HE2 LYS 8 0.503 -7.898 -5.585
62 HE3 LYS 8 HE3 LYS 8 -0.851 -7.302 -4.635
63 HZ1 LYS 8 HZ1 LYS 8 1.517 -8.716 -3.530
64 HZ2 LYS 8 HZ2 LYS 8 0.329 -8.017 -2.628
65 HZ3 LYS 8 HZ3 LYS 8 1.367 -7.110 -3.515
66 H GLU 9 H GLU 9 -1.806 -10.853 1.285
67 HA GLU 9 HA GLU 9 -0.274 -11.018 3.100
68 HB2 GLU 9 HB2 GLU 9 0.231 -13.615 1.647
69 HB3 GLU 9 HB3 GLU 9 0.507 -13.304 3.365
70 HG2 GLU 9 HG2 GLU 9 -1.762 -13.193 3.859
71 HG3 GLU 9 HG3 GLU 9 -2.248 -13.039 2.174
72 H GLY 10 H GLY 10 1.068 -9.548 0.922
73 HA2 GLY 10 HA2 GLY 10 3.742 -10.646 0.619
74 HA3 GLY 10 HA3 GLY 10 3.183 -9.058 0.086
75 H HIS 11 H HIS 11 2.285 -7.952 2.380
76 HA HIS 11 HA HIS 11 4.143 -8.074 4.589
77 HB2 HIS 11 HB2 HIS 11 4.881 -5.620 4.170
78 HB3 HIS 11 HB3 HIS 11 5.608 -6.843 3.147
79 HD1 HIS 11 HD1 HIS 11 5.692 -6.030 0.688
80 HD2 HIS 11 HD2 HIS 11 2.344 -4.635 2.843
81 HE1 HIS 11 HE1 HIS 11 4.299 -4.552 -0.883
82 H GLN 12 H GLN 12 3.672 -5.458 5.553
83 HA GLN 12 HA GLN 12 0.710 -5.087 5.764
84 HB2 GLN 12 HB2 GLN 12 1.977 -6.219 7.724
85 HB3 GLN 12 HB3 GLN 12 2.783 -4.671 7.933
86 HG2 GLN 12 HG2 GLN 12 0.817 -3.621 8.735
87 HG3 GLN 12 HG3 GLN 12 -0.231 -4.887 8.061
88 HE21 GLN 12 HE21 GLN 12 2.579 -4.656 10.385
89 HE22 GLN 12 HE22 GLN 12 1.953 -5.907 11.428
90 H MET 13 H MET 13 0.316 -2.881 6.774
91 HA MET 13 HA MET 13 0.501 -1.191 4.611
92 HB2 MET 13 HB2 MET 13 0.355 -0.083 7.401
93 HB3 MET 13 HB3 MET 13 -0.405 0.484 5.906
94 HG2 MET 13 HG2 MET 13 -2.249 -0.674 6.396
95 HG3 MET 13 HG3 MET 13 -1.362 -2.117 6.291
96 HE1 MET 13 HE1 MET 13 -2.573 -3.573 8.054
97 HE2 MET 13 HE2 MET 13 -3.303 -2.852 9.505
98 HE3 MET 13 HE3 MET 13 -3.771 -2.262 7.894
99 H LYS 14 H LYS 14 2.760 -1.350 7.279
100 HA LYS 14 HA LYS 14 4.246 1.017 6.813
101 HB2 LYS 14 HB2 LYS 14 5.190 -1.639 7.971
102 HB3 LYS 14 HB3 LYS 14 5.936 -0.091 8.226
103 HG2 LYS 14 HG2 LYS 14 3.355 -1.221 9.313
104 HG3 LYS 14 HG3 LYS 14 4.705 -0.564 10.217
105 HD2 LYS 14 HD2 LYS 14 2.667 1.087 8.632
106 HD3 LYS 14 HD3 LYS 14 2.601 0.733 10.341
107 HE2 LYS 14 HE2 LYS 14 3.574 2.693 10.621
108 HE3 LYS 14 HE3 LYS 14 5.075 1.826 10.280
109 HZ1 LYS 14 HZ1 LYS 14 4.760 3.904 8.980
110 HZ2 LYS 14 HZ2 LYS 14 3.445 3.241 8.239
111 HZ3 LYS 14 HZ3 LYS 14 4.960 2.616 8.015
112 H ASP 15 H ASP 15 4.399 -2.085 5.218
113 HA ASP 15 HA ASP 15 6.811 -1.262 3.652
114 HB2 ASP 15 HB2 ASP 15 5.826 -3.717 4.809
115 HB3 ASP 15 HB3 ASP 15 6.173 -3.904 3.078
116 H CYS 16 H CYS 16 3.384 -1.799 3.448
117 HA CYS 16 HA CYS 16 3.224 -1.975 0.579
118 HB2 CYS 16 HB2 CYS 16 1.593 -2.950 2.222
119 HB3 CYS 16 HB3 CYS 16 1.128 -1.436 2.686
120 H THR 17 H THR 17 1.939 0.514 2.786
121 HA THR 17 HA THR 17 1.100 2.585 2.251
122 HB THR 17 HB THR 17 3.068 3.102 3.315
123 HG1 THR 17 HG1 THR 17 3.370 5.154 2.497
124 HG21 THR 17 HG21 THR 17 5.160 3.779 2.074
125 HG22 THR 17 HG22 THR 17 4.524 2.848 0.699
126 HG23 THR 17 HG23 THR 17 4.851 2.042 2.234
127 H GLU 18 H GLU 18 0.495 0.862 0.134
128 HA GLU 18 HA GLU 18 0.858 2.523 -2.287
129 HB2 GLU 18 HB2 GLU 18 -0.389 -0.173 -1.846
130 HB3 GLU 18 HB3 GLU 18 -0.197 0.586 -3.414
131 HG2 GLU 18 HG2 GLU 18 1.948 -0.452 -1.575
132 HG3 GLU 18 HG3 GLU 18 1.505 -1.043 -3.155
133 H ARG 19 H ARG 19 -1.507 2.741 0.024
134 HA ARG 19 HA ARG 19 -3.552 3.759 0.156
135 HB2 ARG 19 HB2 ARG 19 -2.480 5.310 -1.654
136 HB3 ARG 19 HB3 ARG 19 -3.521 4.489 -2.797
137 HG2 ARG 19 HG2 ARG 19 -5.512 5.165 -1.438
138 HG3 ARG 19 HG3 ARG 19 -4.424 5.970 -0.297
139 HD2 ARG 19 HD2 ARG 19 -5.026 7.786 -1.555
140 HD3 ARG 19 HD3 ARG 19 -3.596 7.283 -2.440
141 HE ARG 19 HE ARG 19 -4.929 6.699 -4.267
142 HH11 ARG 19 HH11 ARG 19 -7.111 7.552 -1.630
143 HH12 ARG 19 HH12 ARG 19 -8.496 7.055 -2.573
144 HH21 ARG 19 HH21 ARG 19 -6.765 6.475 -5.428
145 HH22 ARG 19 HH22 ARG 19 -8.323 6.501 -4.594
146 H5' DT 20 H5' DT 20 9.002 8.674 3.699
147 H5'' DT 20 H5'' DT 20 8.146 8.558 2.161
148 H4' DT 20 H4' DT 20 10.128 7.135 2.212
149 H3' DT 20 H3' DT 20 7.479 6.059 1.614
150 H2' DT 20 H2' DT 20 7.735 4.289 3.086
151 H2'' DT 20 H2'' DT 20 8.798 3.627 1.807
152 H1' DT 20 H1' DT 20 10.758 4.631 2.847
153 H3 DT 20 H3 DT 20 11.263 3.516 7.588
154 H71 DT 20 H71 DT 20 8.970 -0.121 4.224
155 H72 DT 20 H72 DT 20 8.759 -0.293 5.980
156 H73 DT 20 H73 DT 20 10.340 -0.615 5.252
157 H6 DT 20 H6 DT 20 9.161 2.046 3.508
158 HO5' DT 20 HO5' DT 20 6.644 8.549 3.798
159 H5' DA 21 H5' DA 21 7.755 7.911 -1.609
160 H5'' DA 21 H5'' DA 21 7.435 7.793 0.116
161 H4' DA 21 H4' DA 21 5.666 8.994 -0.945
162 H3' DA 21 H3' DA 21 5.131 6.383 0.317
163 H2' DA 21 H2' DA 21 3.055 5.921 -0.650
164 H2'' DA 21 H2'' DA 21 2.762 7.564 -1.106
165 H1' DA 21 H1' DA 21 3.472 6.873 -3.183
166 H8 DA 21 H8 DA 21 4.407 4.379 -0.733
167 H61 DA 21 H61 DA 21 7.091 1.246 -5.488
168 H62 DA 21 H62 DA 21 6.596 1.055 -3.822
169 H2 DA 21 H2 DA 21 6.225 5.254 -6.843
170 H5' DC 22 H5' DC 22 0.704 9.626 -0.540
171 H5'' DC 22 H5'' DC 22 0.957 10.715 0.816
172 H4' DC 22 H4' DC 22 -1.004 10.190 1.617
173 H3' DC 22 H3' DC 22 0.360 8.024 2.647
174 H2' DC 22 H2' DC 22 -0.152 6.232 1.358
175 H2'' DC 22 H2'' DC 22 -1.836 6.422 1.867
176 H1' DC 22 H1' DC 22 -2.432 7.073 -0.203
177 H41 DC 22 H41 DC 22 1.261 6.883 -5.393
178 H42 DC 22 H42 DC 22 1.887 5.375 -4.721
179 H5 DC 22 H5 DC 22 1.403 4.713 -2.476
180 H6 DC 22 H6 DC 22 0.209 5.276 -0.434
181 H5' DG 23 H5' DG 23 -3.058 6.851 4.243
182 H5'' DG 23 H5'' DG 23 -3.127 6.589 5.984
183 H4' DG 23 H4' DG 23 -3.039 4.651 4.076
184 H3' DG 23 H3' DG 23 -2.197 4.616 6.935
185 H2' DG 23 H2' DG 23 -0.880 2.779 6.728
186 H2'' DG 23 H2'' DG 23 -1.787 2.065 5.414
187 H1' DG 23 H1' DG 23 -0.381 2.925 3.895
188 H8 DG 23 H8 DG 23 1.189 1.874 6.315
189 H1 DG 23 H1 DG 23 4.783 7.013 4.918
190 H21 DG 23 H21 DG 23 3.537 8.438 3.661
191 H22 DG 23 H22 DG 23 1.810 8.144 3.564
192 H5' DC 24 H5' DC 24 -5.021 6.488 4.932
193 H5'' DC 24 H5'' DC 24 -6.742 6.421 5.202
194 H4' DC 24 H4' DC 24 -5.654 6.941 2.828
195 H3' DC 24 H3' DC 24 -8.183 5.287 3.121
196 H2' DC 24 H2' DC 24 -8.154 5.311 0.654
197 H2'' DC 24 H2'' DC 24 -6.794 6.453 0.752
198 H1' DC 24 H1' DC 24 -5.733 4.281 0.521
199 H41 DC 24 H41 DC 24 -10.296 -0.079 1.278
200 H42 DC 24 H42 DC 24 -10.178 0.129 3.022
201 H5 DC 24 H5 DC 24 -8.626 1.474 4.105
202 H6 DC 24 H6 DC 24 -7.012 3.272 3.793
203 H5' DC 25 H5' DC 25 -10.917 7.989 5.324
204 H5'' DC 25 H5'' DC 25 -9.168 7.840 5.147
205 H4' DC 25 H4' DC 25 -9.685 6.763 7.152
206 H3' DC 25 H3' DC 25 -8.573 5.203 4.995
207 HO3' DC 25 HO3' DC 25 -7.597 4.145 6.860
208 H2' DC 25 H2' DC 25 -10.481 3.757 4.969
209 H2'' DC 25 H2'' DC 25 -9.543 2.957 6.274
210 H1' DC 25 H1' DC 25 -10.599 4.379 7.964
211 H41 DC 25 H41 DC 25 -15.606 0.619 8.097
212 H42 DC 25 H42 DC 25 -16.165 1.108 6.482
213 H5 DC 25 H5 DC 25 -15.031 2.827 5.228
214 H6 DC 25 H6 DC 25 -13.023 4.224 5.144
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 -6.631 -9.725 4.954
2 H2 LYS 1 H2 LYS 1 -7.582 -10.683 5.894
3 H3 LYS 1 H3 LYS 1 -7.464 -10.955 4.270
4 HA LYS 1 HA LYS 1 -5.476 -11.380 6.364
5 HB2 LYS 1 HB2 LYS 1 -7.273 -13.137 5.760
6 HB3 LYS 1 HB3 LYS 1 -6.394 -13.366 4.249
7 HG2 LYS 1 HG2 LYS 1 -4.304 -13.803 5.679
8 HG3 LYS 1 HG3 LYS 1 -5.379 -13.756 7.090
9 HD2 LYS 1 HD2 LYS 1 -6.698 -15.654 6.113
10 HD3 LYS 1 HD3 LYS 1 -5.562 -15.692 4.750
11 HE2 LYS 1 HE2 LYS 1 -3.694 -15.993 6.479
12 HE3 LYS 1 HE3 LYS 1 -4.954 -16.203 7.701
13 HZ1 LYS 1 HZ1 LYS 1 -5.758 -18.128 6.422
14 HZ2 LYS 1 HZ2 LYS 1 -4.178 -18.329 6.820
15 HZ3 LYS 1 HZ3 LYS 1 -4.583 -17.888 5.282
16 H GLY 2 H GLY 2 -3.531 -10.650 5.938
17 HA2 GLY 2 HA2 GLY 2 -1.465 -10.938 4.640
18 HA3 GLY 2 HA3 GLY 2 -2.390 -10.757 3.161
19 H CYS 3 H CYS 3 -1.738 -8.832 2.301
20 HA CYS 3 HA CYS 3 -0.967 -6.498 3.645
21 HB2 CYS 3 HB2 CYS 3 -0.772 -7.201 1.142
22 HB3 CYS 3 HB3 CYS 3 -2.361 -6.464 0.983
23 H TRP 4 H TRP 4 -2.103 -4.441 3.168
24 HA TRP 4 HA TRP 4 -4.735 -4.235 4.526
25 HB2 TRP 4 HB2 TRP 4 -3.096 -2.717 5.327
26 HB3 TRP 4 HB3 TRP 4 -2.398 -2.524 3.773
27 HD1 TRP 4 HD1 TRP 4 -5.977 -1.564 5.049
28 HE1 TRP 4 HE1 TRP 4 -6.347 0.868 4.288
29 HE3 TRP 4 HE3 TRP 4 -1.464 -0.751 2.803
30 HZ2 TRP 4 HZ2 TRP 4 -4.762 2.934 2.997
31 HZ3 TRP 4 HZ3 TRP 4 -0.937 1.407 1.836
32 HH2 TRP 4 HH2 TRP 4 -2.586 3.281 1.854
33 H LYS 5 H LYS 5 -3.246 -3.142 1.441
34 HA LYS 5 HA LYS 5 -5.989 -2.876 0.262
35 HB2 LYS 5 HB2 LYS 5 -5.322 -0.986 -0.948
36 HB3 LYS 5 HB3 LYS 5 -4.746 -0.759 0.686
37 HG2 LYS 5 HG2 LYS 5 -2.885 -0.056 -0.441
38 HG3 LYS 5 HG3 LYS 5 -2.474 -1.755 -0.260
39 HD2 LYS 5 HD2 LYS 5 -1.954 -1.166 -2.510
40 HD3 LYS 5 HD3 LYS 5 -3.418 -2.111 -2.632
41 HE2 LYS 5 HE2 LYS 5 -4.774 -0.089 -2.891
42 HE3 LYS 5 HE3 LYS 5 -3.385 0.934 -2.529
43 HZ1 LYS 5 HZ1 LYS 5 -2.359 0.391 -4.520
44 HZ2 LYS 5 HZ2 LYS 5 -3.905 0.715 -4.913
45 HZ3 LYS 5 HZ3 LYS 5 -3.395 -0.840 -4.870
46 H CYS 6 H CYS 6 -2.773 -4.219 -0.370
47 HA CYS 6 HA CYS 6 -3.171 -4.813 -3.092
48 HB2 CYS 6 HB2 CYS 6 -1.382 -6.376 -1.195
49 HB3 CYS 6 HB3 CYS 6 -1.153 -6.057 -2.910
50 H GLY 7 H GLY 7 -3.488 -6.878 -0.261
51 HA2 GLY 7 HA2 GLY 7 -5.203 -8.323 0.264
52 HA3 GLY 7 HA3 GLY 7 -5.672 -8.463 -1.453
53 H LYS 8 H LYS 8 -2.464 -8.938 -0.106
54 HA LYS 8 HA LYS 8 -2.404 -11.861 -0.684
55 HB2 LYS 8 HB2 LYS 8 -0.273 -9.945 -1.644
56 HB3 LYS 8 HB3 LYS 8 -0.535 -11.607 -2.146
57 HG2 LYS 8 HG2 LYS 8 -2.566 -10.943 -3.376
58 HG3 LYS 8 HG3 LYS 8 -2.369 -9.256 -2.890
59 HD2 LYS 8 HD2 LYS 8 -0.206 -10.670 -4.443
60 HD3 LYS 8 HD3 LYS 8 -1.629 -9.964 -5.213
61 HE2 LYS 8 HE2 LYS 8 0.238 -8.440 -5.358
62 HE3 LYS 8 HE3 LYS 8 -1.090 -7.746 -4.431
63 HZ1 LYS 8 HZ1 LYS 8 0.149 -8.121 -2.410
64 HZ2 LYS 8 HZ2 LYS 8 1.202 -7.439 -3.463
65 HZ3 LYS 8 HZ3 LYS 8 1.264 -9.037 -3.173
66 H GLU 9 H GLU 9 -0.564 -12.907 0.468
67 HA GLU 9 HA GLU 9 0.256 -11.464 2.882
68 HB2 GLU 9 HB2 GLU 9 0.847 -14.264 1.909
69 HB3 GLU 9 HB3 GLU 9 1.451 -13.586 3.429
70 HG2 GLU 9 HG2 GLU 9 -0.958 -13.107 4.069
71 HG3 GLU 9 HG3 GLU 9 -1.443 -14.105 2.690
72 H GLY 10 H GLY 10 1.258 -9.897 0.960
73 HA2 GLY 10 HA2 GLY 10 4.070 -10.625 0.361
74 HA3 GLY 10 HA3 GLY 10 3.171 -9.230 -0.236
75 H HIS 11 H HIS 11 2.249 -8.359 2.422
76 HA HIS 11 HA HIS 11 4.376 -7.811 4.200
77 HB2 HIS 11 HB2 HIS 11 4.622 -5.342 3.624
78 HB3 HIS 11 HB3 HIS 11 5.419 -6.437 2.523
79 HD1 HIS 11 HD1 HIS 11 5.029 -5.648 0.038
80 HD2 HIS 11 HD2 HIS 11 2.029 -4.561 2.726
81 HE1 HIS 11 HE1 HIS 11 3.318 -4.302 -1.297
82 H GLN 12 H GLN 12 3.659 -5.454 5.326
83 HA GLN 12 HA GLN 12 0.678 -5.193 5.475
84 HB2 GLN 12 HB2 GLN 12 2.041 -6.227 7.543
85 HB3 GLN 12 HB3 GLN 12 2.531 -4.558 7.748
86 HG2 GLN 12 HG2 GLN 12 0.648 -4.262 8.959
87 HG3 GLN 12 HG3 GLN 12 -0.286 -4.413 7.469
88 HE21 GLN 12 HE21 GLN 12 -0.486 -7.030 6.803
89 HE22 GLN 12 HE22 GLN 12 -1.015 -7.957 8.189
90 H MET 13 H MET 13 0.196 -2.992 6.586
91 HA MET 13 HA MET 13 0.340 -1.012 4.696
92 HB2 MET 13 HB2 MET 13 0.356 -0.618 7.715
93 HB3 MET 13 HB3 MET 13 -0.235 0.514 6.496
94 HG2 MET 13 HG2 MET 13 -2.064 -0.741 5.923
95 HG3 MET 13 HG3 MET 13 -1.494 -2.165 6.691
96 HE1 MET 13 HE1 MET 13 -2.010 -1.643 10.487
97 HE2 MET 13 HE2 MET 13 -1.741 -2.828 9.215
98 HE3 MET 13 HE3 MET 13 -0.536 -1.579 9.536
99 H LYS 14 H LYS 14 2.692 -1.470 7.310
100 HA LYS 14 HA LYS 14 4.151 0.941 6.836
101 HB2 LYS 14 HB2 LYS 14 4.619 -1.643 8.377
102 HB3 LYS 14 HB3 LYS 14 5.870 -0.422 8.311
103 HG2 LYS 14 HG2 LYS 14 3.009 0.131 9.221
104 HG3 LYS 14 HG3 LYS 14 4.289 -0.338 10.335
105 HD2 LYS 14 HD2 LYS 14 5.456 1.646 10.120
106 HD3 LYS 14 HD3 LYS 14 4.792 2.058 8.550
107 HE2 LYS 14 HE2 LYS 14 3.210 2.116 11.154
108 HE3 LYS 14 HE3 LYS 14 4.011 3.504 10.419
109 HZ1 LYS 14 HZ1 LYS 14 1.791 3.595 9.732
110 HZ2 LYS 14 HZ2 LYS 14 1.699 2.024 9.365
111 HZ3 LYS 14 HZ3 LYS 14 2.587 3.066 8.404
112 H ASP 15 H ASP 15 4.306 -2.093 5.207
113 HA ASP 15 HA ASP 15 6.803 -1.187 3.785
114 HB2 ASP 15 HB2 ASP 15 5.767 -3.792 4.704
115 HB3 ASP 15 HB3 ASP 15 6.232 -3.798 3.002
116 H CYS 16 H CYS 16 3.433 -1.849 3.509
117 HA CYS 16 HA CYS 16 3.150 -1.912 0.671
118 HB2 CYS 16 HB2 CYS 16 1.521 -2.743 2.497
119 HB3 CYS 16 HB3 CYS 16 1.118 -1.179 2.796
120 H THR 17 H THR 17 1.854 0.581 2.786
121 HA THR 17 HA THR 17 1.282 2.733 2.496
122 HB THR 17 HB THR 17 2.762 4.348 1.611
123 HG1 THR 17 HG1 THR 17 3.688 2.144 0.173
124 HG21 THR 17 HG21 THR 17 4.847 3.884 2.614
125 HG22 THR 17 HG22 THR 17 4.737 2.143 2.289
126 HG23 THR 17 HG23 THR 17 3.716 2.861 3.539
127 H GLU 18 H GLU 18 0.754 0.596 -0.009
128 HA GLU 18 HA GLU 18 0.921 2.464 -2.143
129 HB2 GLU 18 HB2 GLU 18 -0.027 -0.408 -2.112
130 HB3 GLU 18 HB3 GLU 18 0.328 0.508 -3.573
131 HG2 GLU 18 HG2 GLU 18 2.292 -0.251 -1.448
132 HG3 GLU 18 HG3 GLU 18 2.059 -1.084 -2.960
133 H ARG 19 H ARG 19 -1.393 3.015 -0.375
134 HA ARG 19 HA ARG 19 -3.414 3.875 -0.286
135 HB2 ARG 19 HB2 ARG 19 -4.156 5.138 -2.059
136 HB3 ARG 19 HB3 ARG 19 -2.409 5.090 -2.104
137 HG2 ARG 19 HG2 ARG 19 -2.214 4.326 -4.128
138 HG3 ARG 19 HG3 ARG 19 -3.484 3.137 -3.951
139 HD2 ARG 19 HD2 ARG 19 -4.160 6.036 -4.396
140 HD3 ARG 19 HD3 ARG 19 -3.695 4.986 -5.737
141 HE ARG 19 HE ARG 19 -6.220 4.993 -4.344
142 HH11 ARG 19 HH11 ARG 19 -4.065 2.759 -6.034
143 HH12 ARG 19 HH12 ARG 19 -5.364 1.631 -6.354
144 HH21 ARG 19 HH21 ARG 19 -7.828 3.604 -5.047
145 HH22 ARG 19 HH22 ARG 19 -7.349 1.995 -5.578
146 H5' DT 20 H5' DT 20 9.629 7.164 5.322
147 H5'' DT 20 H5'' DT 20 8.512 8.253 4.510
148 H4' DT 20 H4' DT 20 9.869 7.267 2.841
149 H3' DT 20 H3' DT 20 7.012 6.661 2.774
150 H2' DT 20 H2' DT 20 7.397 4.367 2.659
151 H2'' DT 20 H2'' DT 20 7.773 4.736 0.944
152 H1' DT 20 H1' DT 20 10.111 5.035 1.447
153 H3 DT 20 H3 DT 20 10.887 0.638 0.580
154 H71 DT 20 H71 DT 20 10.619 0.012 5.332
155 H72 DT 20 H72 DT 20 8.947 -0.365 4.897
156 H73 DT 20 H73 DT 20 9.328 1.138 5.769
157 H6 DT 20 H6 DT 20 9.193 3.016 4.423
158 HO5' DT 20 HO5' DT 20 7.158 7.231 5.820
159 H5' DA 21 H5' DA 21 6.577 10.392 -1.023
160 H5'' DA 21 H5'' DA 21 5.895 10.713 0.576
161 H4' DA 21 H4' DA 21 4.139 10.915 -0.944
162 H3' DA 21 H3' DA 21 4.128 8.632 0.860
163 H2' DA 21 H2' DA 21 2.835 7.129 -0.243
164 H2'' DA 21 H2'' DA 21 1.974 8.333 -1.190
165 H1' DA 21 H1' DA 21 3.347 7.731 -2.894
166 H8 DA 21 H8 DA 21 3.771 5.362 -0.872
167 H61 DA 21 H61 DA 21 9.899 4.543 -2.127
168 H62 DA 21 H62 DA 21 8.531 3.658 -1.470
169 H2 DA 21 H2 DA 21 8.798 8.293 -3.685
170 H5' DC 22 H5' DC 22 -1.624 10.383 -0.825
171 H5'' DC 22 H5'' DC 22 -1.251 11.187 0.687
172 H4' DC 22 H4' DC 22 -2.898 9.937 1.453
173 H3' DC 22 H3' DC 22 -0.422 8.588 2.057
174 H2' DC 22 H2' DC 22 -0.962 6.293 1.656
175 H2'' DC 22 H2'' DC 22 -2.650 6.591 2.077
176 H1' DC 22 H1' DC 22 -3.002 6.403 -0.174
177 H41 DC 22 H41 DC 22 0.723 6.835 -5.178
178 H42 DC 22 H42 DC 22 1.690 5.662 -4.268
179 H5 DC 22 H5 DC 22 1.501 5.394 -1.912
180 H6 DC 22 H6 DC 22 0.142 5.910 0.022
181 H5' DG 23 H5' DG 23 -3.319 6.774 4.197
182 H5'' DG 23 H5'' DG 23 -3.199 6.474 5.924
183 H4' DG 23 H4' DG 23 -3.326 4.573 3.933
184 H3' DG 23 H3' DG 23 -2.325 4.465 6.726
185 H2' DG 23 H2' DG 23 -1.102 2.610 6.490
186 H2'' DG 23 H2'' DG 23 -2.029 1.897 5.182
187 H1' DG 23 H1' DG 23 -0.573 2.790 3.661
188 H8 DG 23 H8 DG 23 0.964 2.050 6.409
189 H1 DG 23 H1 DG 23 4.500 6.918 4.192
190 H21 DG 23 H21 DG 23 3.335 8.134 2.845
191 H22 DG 23 H22 DG 23 1.631 7.768 2.530
192 H5' DC 24 H5' DC 24 -5.262 6.530 4.962
193 H5'' DC 24 H5'' DC 24 -6.978 6.237 4.985
194 H4' DC 24 H4' DC 24 -5.502 6.999 2.791
195 H3' DC 24 H3' DC 24 -8.127 5.541 2.859
196 H2' DC 24 H2' DC 24 -8.025 5.649 0.386
197 H2'' DC 24 H2'' DC 24 -6.613 6.680 0.558
198 H1' DC 24 H1' DC 24 -5.676 4.470 0.282
199 H41 DC 24 H41 DC 24 -10.070 -0.058 0.747
200 H42 DC 24 H42 DC 24 -9.798 -0.164 2.486
201 H5 DC 24 H5 DC 24 -8.378 1.329 3.661
202 H6 DC 24 H6 DC 24 -6.858 3.225 3.427
203 H5' DC 25 H5' DC 25 -11.129 7.718 4.810
204 H5'' DC 25 H5'' DC 25 -9.415 7.298 4.970
205 H4' DC 25 H4' DC 25 -10.829 5.822 6.324
206 H3' DC 25 H3' DC 25 -9.278 4.612 4.011
207 HO3' DC 25 HO3' DC 25 -7.963 3.983 5.861
208 H2' DC 25 H2' DC 25 -10.166 2.469 4.652
209 H2'' DC 25 H2'' DC 25 -10.535 3.037 6.301
210 H1' DC 25 H1' DC 25 -12.667 3.367 5.598
211 H41 DC 25 H41 DC 25 -13.721 0.527 0.066
212 H42 DC 25 H42 DC 25 -12.785 1.726 -0.824
213 H5 DC 25 H5 DC 25 -11.740 3.605 0.244
214 H6 DC 25 H6 DC 25 -11.270 4.649 2.402
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 -5.196 -10.503 7.411
2 H2 LYS 1 H2 LYS 1 -6.769 -10.934 7.205
3 H3 LYS 1 H3 LYS 1 -6.041 -9.954 6.100
4 HA LYS 1 HA LYS 1 -5.385 -12.773 6.660
5 HB2 LYS 1 HB2 LYS 1 -6.784 -11.474 4.301
6 HB3 LYS 1 HB3 LYS 1 -5.951 -13.024 4.167
7 HG2 LYS 1 HG2 LYS 1 -7.348 -13.741 6.254
8 HG3 LYS 1 HG3 LYS 1 -8.392 -12.375 5.836
9 HD2 LYS 1 HD2 LYS 1 -7.634 -14.694 3.993
10 HD3 LYS 1 HD3 LYS 1 -9.164 -14.549 4.880
11 HE2 LYS 1 HE2 LYS 1 -9.815 -12.599 3.632
12 HE3 LYS 1 HE3 LYS 1 -8.220 -12.452 2.884
13 HZ1 LYS 1 HZ1 LYS 1 -9.832 -13.427 1.392
14 HZ2 LYS 1 HZ2 LYS 1 -10.101 -14.700 2.390
15 HZ3 LYS 1 HZ3 LYS 1 -8.619 -14.482 1.680
16 H GLY 2 H GLY 2 -4.308 -9.875 4.874
17 HA2 GLY 2 HA2 GLY 2 -1.571 -10.909 4.621
18 HA3 GLY 2 HA3 GLY 2 -2.439 -10.749 3.105
19 H CYS 3 H CYS 3 -1.851 -8.857 2.154
20 HA CYS 3 HA CYS 3 -1.082 -6.423 3.339
21 HB2 CYS 3 HB2 CYS 3 -0.923 -7.231 0.867
22 HB3 CYS 3 HB3 CYS 3 -2.584 -6.699 0.762
23 H TRP 4 H TRP 4 -2.216 -4.450 2.935
24 HA TRP 4 HA TRP 4 -4.887 -4.284 4.251
25 HB2 TRP 4 HB2 TRP 4 -3.331 -2.851 5.313
26 HB3 TRP 4 HB3 TRP 4 -2.458 -2.602 3.853
27 HD1 TRP 4 HD1 TRP 4 -5.989 -1.483 5.112
28 HE1 TRP 4 HE1 TRP 4 -6.227 0.976 4.434
29 HE3 TRP 4 HE3 TRP 4 -1.465 -0.869 2.902
30 HZ2 TRP 4 HZ2 TRP 4 -4.675 2.907 2.848
31 HZ3 TRP 4 HZ3 TRP 4 -0.848 1.179 1.840
32 HH2 TRP 4 HH2 TRP 4 -2.452 3.148 1.746
33 H LYS 5 H LYS 5 -3.223 -3.265 1.241
34 HA LYS 5 HA LYS 5 -5.916 -2.607 0.080
35 HB2 LYS 5 HB2 LYS 5 -5.016 -0.918 -1.222
36 HB3 LYS 5 HB3 LYS 5 -4.441 -0.663 0.411
37 HG2 LYS 5 HG2 LYS 5 -2.529 -0.183 -0.739
38 HG3 LYS 5 HG3 LYS 5 -2.284 -1.902 -0.487
39 HD2 LYS 5 HD2 LYS 5 -1.684 -1.571 -2.695
40 HD3 LYS 5 HD3 LYS 5 -3.295 -2.219 -2.884
41 HE2 LYS 5 HE2 LYS 5 -2.895 0.789 -2.821
42 HE3 LYS 5 HE3 LYS 5 -2.323 -0.113 -4.218
43 HZ1 LYS 5 HZ1 LYS 5 -4.663 -1.042 -4.351
44 HZ2 LYS 5 HZ2 LYS 5 -4.388 0.495 -4.810
45 HZ3 LYS 5 HZ3 LYS 5 -5.100 0.233 -3.350
46 H CYS 6 H CYS 6 -2.996 -4.472 -0.501
47 HA CYS 6 HA CYS 6 -3.571 -4.851 -3.293
48 HB2 CYS 6 HB2 CYS 6 -1.632 -6.412 -1.558
49 HB3 CYS 6 HB3 CYS 6 -1.604 -6.178 -3.323
50 H GLY 7 H GLY 7 -3.542 -7.042 -0.576
51 HA2 GLY 7 HA2 GLY 7 -5.345 -8.415 0.051
52 HA3 GLY 7 HA3 GLY 7 -5.746 -8.719 -1.661
53 H LYS 8 H LYS 8 -2.466 -8.862 -0.535
54 HA LYS 8 HA LYS 8 -2.317 -11.837 -0.861
55 HB2 LYS 8 HB2 LYS 8 -0.187 -9.906 -1.770
56 HB3 LYS 8 HB3 LYS 8 -0.437 -11.574 -2.265
57 HG2 LYS 8 HG2 LYS 8 -2.393 -10.915 -3.599
58 HG3 LYS 8 HG3 LYS 8 -2.218 -9.225 -3.119
59 HD2 LYS 8 HD2 LYS 8 0.093 -10.645 -4.457
60 HD3 LYS 8 HD3 LYS 8 -1.281 -10.074 -5.399
61 HE2 LYS 8 HE2 LYS 8 0.560 -8.471 -5.448
62 HE3 LYS 8 HE3 LYS 8 -0.926 -7.782 -4.787
63 HZ1 LYS 8 HZ1 LYS 8 0.007 -7.989 -2.585
64 HZ2 LYS 8 HZ2 LYS 8 1.121 -7.197 -3.512
65 HZ3 LYS 8 HZ3 LYS 8 1.340 -8.780 -3.137
66 H GLU 9 H GLU 9 -0.578 -12.827 0.386
67 HA GLU 9 HA GLU 9 0.174 -11.465 2.845
68 HB2 GLU 9 HB2 GLU 9 0.844 -14.209 1.775
69 HB3 GLU 9 HB3 GLU 9 1.347 -13.594 3.356
70 HG2 GLU 9 HG2 GLU 9 -1.105 -13.221 3.884
71 HG3 GLU 9 HG3 GLU 9 -1.482 -14.147 2.421
72 H GLY 10 H GLY 10 1.255 -9.856 1.027
73 HA2 GLY 10 HA2 GLY 10 4.095 -10.518 0.504
74 HA3 GLY 10 HA3 GLY 10 3.215 -9.067 0.017
75 H HIS 11 H HIS 11 2.247 -8.089 2.392
76 HA HIS 11 HA HIS 11 3.983 -8.040 4.628
77 HB2 HIS 11 HB2 HIS 11 4.791 -5.626 4.321
78 HB3 HIS 11 HB3 HIS 11 5.632 -6.829 3.379
79 HD1 HIS 11 HD1 HIS 11 6.257 -5.657 1.164
80 HD2 HIS 11 HD2 HIS 11 2.430 -4.683 2.595
81 HE1 HIS 11 HE1 HIS 11 5.094 -4.271 -0.650
82 H GLN 12 H GLN 12 3.587 -5.575 5.607
83 HA GLN 12 HA GLN 12 0.634 -5.041 5.739
84 HB2 GLN 12 HB2 GLN 12 2.718 -5.736 7.714
85 HB3 GLN 12 HB3 GLN 12 2.098 -4.147 8.018
86 HG2 GLN 12 HG2 GLN 12 -0.216 -5.079 8.149
87 HG3 GLN 12 HG3 GLN 12 0.364 -6.643 7.555
88 HE21 GLN 12 HE21 GLN 12 0.934 -4.348 10.274
89 HE22 GLN 12 HE22 GLN 12 1.323 -5.591 11.440
90 H MET 13 H MET 13 0.361 -2.756 6.813
91 HA MET 13 HA MET 13 0.797 -1.117 4.532
92 HB2 MET 13 HB2 MET 13 0.096 0.060 7.214
93 HB3 MET 13 HB3 MET 13 -0.382 0.524 5.559
94 HG2 MET 13 HG2 MET 13 -2.246 -0.577 5.754
95 HG3 MET 13 HG3 MET 13 -1.383 -2.037 5.843
96 HE1 MET 13 HE1 MET 13 -3.577 0.180 9.193
97 HE2 MET 13 HE2 MET 13 -2.483 1.050 8.096
98 HE3 MET 13 HE3 MET 13 -3.908 0.204 7.449
99 H LYS 14 H LYS 14 2.658 -1.339 7.512
100 HA LYS 14 HA LYS 14 4.475 0.852 7.116
101 HB2 LYS 14 HB2 LYS 14 4.874 -1.900 8.376
102 HB3 LYS 14 HB3 LYS 14 6.029 -0.590 8.477
103 HG2 LYS 14 HG2 LYS 14 3.347 -0.797 9.822
104 HG3 LYS 14 HG3 LYS 14 4.931 -0.586 10.512
105 HD2 LYS 14 HD2 LYS 14 4.096 1.507 10.789
106 HD3 LYS 14 HD3 LYS 14 4.952 1.704 9.267
107 HE2 LYS 14 HE2 LYS 14 2.763 2.857 9.305
108 HE3 LYS 14 HE3 LYS 14 2.857 1.659 8.021
109 HZ1 LYS 14 HZ1 LYS 14 1.483 0.169 9.365
110 HZ2 LYS 14 HZ2 LYS 14 0.741 1.643 9.303
111 HZ3 LYS 14 HZ3 LYS 14 1.504 1.167 10.636
112 H ASP 15 H ASP 15 4.150 -1.935 5.193
113 HA ASP 15 HA ASP 15 6.756 -1.306 3.861
114 HB2 ASP 15 HB2 ASP 15 5.709 -3.812 4.903
115 HB3 ASP 15 HB3 ASP 15 6.131 -3.896 3.192
116 H CYS 16 H CYS 16 3.294 -1.849 3.374
117 HA CYS 16 HA CYS 16 3.489 -1.940 0.494
118 HB2 CYS 16 HB2 CYS 16 1.691 -3.025 1.945
119 HB3 CYS 16 HB3 CYS 16 1.049 -1.552 2.260
120 H THR 17 H THR 17 1.809 0.284 2.602
121 HA THR 17 HA THR 17 1.012 2.396 2.321
122 HB THR 17 HB THR 17 2.915 2.802 3.487
123 HG1 THR 17 HG1 THR 17 3.700 4.839 2.230
124 HG21 THR 17 HG21 THR 17 5.137 3.357 2.605
125 HG22 THR 17 HG22 THR 17 4.597 2.798 1.000
126 HG23 THR 17 HG23 THR 17 4.689 1.676 2.375
127 H GLU 18 H GLU 18 0.511 0.873 -0.029
128 HA GLU 18 HA GLU 18 0.912 2.807 -2.221
129 HB2 GLU 18 HB2 GLU 18 -0.130 -0.017 -2.299
130 HB3 GLU 18 HB3 GLU 18 0.260 1.019 -3.677
131 HG2 GLU 18 HG2 GLU 18 2.588 1.228 -2.314
132 HG3 GLU 18 HG3 GLU 18 2.053 -0.361 -1.769
133 H ARG 19 H ARG 19 -1.555 2.976 -0.214
134 HA ARG 19 HA ARG 19 -3.595 3.935 -0.236
135 HB2 ARG 19 HB2 ARG 19 -2.491 5.416 -2.091
136 HB3 ARG 19 HB3 ARG 19 -3.408 4.503 -3.227
137 HG2 ARG 19 HG2 ARG 19 -5.522 5.154 -1.957
138 HG3 ARG 19 HG3 ARG 19 -4.518 6.208 -0.967
139 HD2 ARG 19 HD2 ARG 19 -3.674 7.076 -3.343
140 HD3 ARG 19 HD3 ARG 19 -5.213 6.431 -3.905
141 HE ARG 19 HE ARG 19 -5.952 8.002 -1.759
142 HH11 ARG 19 HH11 ARG 19 -3.925 8.776 -4.536
143 HH12 ARG 19 HH12 ARG 19 -4.346 10.468 -4.407
144 HH21 ARG 19 HH21 ARG 19 -6.376 10.124 -1.693
145 HH22 ARG 19 HH22 ARG 19 -5.651 11.224 -2.844
146 H5' DT 20 H5' DT 20 10.362 6.541 5.320
147 H5'' DT 20 H5'' DT 20 9.131 7.459 4.466
148 H4' DT 20 H4' DT 20 10.443 6.350 2.816
149 H3' DT 20 H3' DT 20 7.627 5.622 3.093
150 H2' DT 20 H2' DT 20 8.087 3.372 3.245
151 H2'' DT 20 H2'' DT 20 8.290 3.515 1.466
152 H1' DT 20 H1' DT 20 10.671 3.878 1.706
153 H3 DT 20 H3 DT 20 12.938 0.276 4.069
154 H71 DT 20 H71 DT 20 9.853 -1.891 1.289
155 H72 DT 20 H72 DT 20 8.426 -0.834 1.299
156 H73 DT 20 H73 DT 20 8.771 -1.893 2.681
157 H6 DT 20 H6 DT 20 8.850 1.348 1.798
158 HO5' DT 20 HO5' DT 20 7.866 6.490 5.876
159 H5' DA 21 H5' DA 21 7.460 9.213 -1.139
160 H5'' DA 21 H5'' DA 21 6.624 9.596 0.364
161 H4' DA 21 H4' DA 21 5.088 9.816 -1.459
162 H3' DA 21 H3' DA 21 4.723 7.764 0.599
163 H2' DA 21 H2' DA 21 3.308 6.326 -0.442
164 H2'' DA 21 H2'' DA 21 2.688 7.523 -1.570
165 H1' DA 21 H1' DA 21 4.101 6.593 -3.091
166 H8 DA 21 H8 DA 21 3.946 4.358 -0.960
167 H61 DA 21 H61 DA 21 9.855 2.389 -1.414
168 H62 DA 21 H62 DA 21 8.247 1.927 -0.891
169 H2 DA 21 H2 DA 21 9.632 6.279 -3.302
170 H5' DC 22 H5' DC 22 -0.740 10.426 -0.660
171 H5'' DC 22 H5'' DC 22 0.065 10.735 0.877
172 H4' DC 22 H4' DC 22 -1.733 9.810 1.602
173 H3' DC 22 H3' DC 22 0.462 7.932 1.590
174 H2' DC 22 H2' DC 22 -0.594 5.907 1.458
175 H2'' DC 22 H2'' DC 22 -2.148 6.534 2.030
176 H1' DC 22 H1' DC 22 -2.637 6.490 -0.218
177 H41 DC 22 H41 DC 22 1.353 7.126 -5.180
178 H42 DC 22 H42 DC 22 2.107 5.710 -4.430
179 H5 DC 22 H5 DC 22 1.578 4.941 -2.307
180 H6 DC 22 H6 DC 22 0.245 5.334 -0.313
181 H5' DG 23 H5' DG 23 -3.620 6.639 3.635
182 H5'' DG 23 H5'' DG 23 -4.035 6.475 5.324
183 H4' DG 23 H4' DG 23 -3.406 4.426 3.815
184 H3' DG 23 H3' DG 23 -2.584 4.713 6.691
185 H2' DG 23 H2' DG 23 -1.368 2.708 6.506
186 H2'' DG 23 H2'' DG 23 -2.269 2.107 5.132
187 H1' DG 23 H1' DG 23 -0.754 2.999 3.719
188 H8 DG 23 H8 DG 23 0.844 1.999 6.230
189 H1 DG 23 H1 DG 23 4.197 7.268 4.761
190 H21 DG 23 H21 DG 23 2.796 8.779 3.804
191 H22 DG 23 H22 DG 23 1.121 8.292 3.536
192 H5' DC 24 H5' DC 24 -6.006 6.710 4.793
193 H5'' DC 24 H5'' DC 24 -7.542 5.906 4.670
194 H4' DC 24 H4' DC 24 -5.935 6.968 2.585
195 H3' DC 24 H3' DC 24 -8.443 5.279 2.450
196 H2' DC 24 H2' DC 24 -8.143 5.282 0.055
197 H2'' DC 24 H2'' DC 24 -6.800 6.421 0.274
198 H1' DC 24 H1' DC 24 -5.674 4.327 0.204
199 H41 DC 24 H41 DC 24 -9.305 -0.669 0.371
200 H42 DC 24 H42 DC 24 -9.100 -0.853 2.112
201 H5 DC 24 H5 DC 24 -8.194 0.971 3.458
202 H6 DC 24 H6 DC 24 -6.981 3.096 3.331
203 H5' DC 25 H5' DC 25 -11.496 7.571 4.194
204 H5'' DC 25 H5'' DC 25 -9.749 7.385 4.290
205 H4' DC 25 H4' DC 25 -10.710 6.174 6.070
206 H3' DC 25 H3' DC 25 -9.184 4.681 4.065
207 HO3' DC 25 HO3' DC 25 -8.329 3.829 6.083
208 H2' DC 25 H2' DC 25 -10.904 3.088 3.841
209 H2'' DC 25 H2'' DC 25 -10.276 2.485 5.410
210 H1' DC 25 H1' DC 25 -11.805 3.896 6.643
211 H41 DC 25 H41 DC 25 -16.455 -0.096 5.529
212 H42 DC 25 H42 DC 25 -17.126 0.916 4.240
213 H5 DC 25 H5 DC 25 -15.890 2.802 3.360
214 H6 DC 25 H6 DC 25 -13.895 4.184 3.693
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -6.927 -12.133 3.655
2 H2 LYS 1 H2 LYS 1 -7.059 -10.536 4.042
3 H3 LYS 1 H3 LYS 1 -7.852 -11.644 4.919
4 HA LYS 1 HA LYS 1 -5.862 -10.729 6.025
5 HB2 LYS 1 HB2 LYS 1 -5.537 -13.700 5.524
6 HB3 LYS 1 HB3 LYS 1 -5.046 -12.766 6.938
7 HG2 LYS 1 HG2 LYS 1 -7.568 -12.304 7.281
8 HG3 LYS 1 HG3 LYS 1 -7.853 -13.565 6.082
9 HD2 LYS 1 HD2 LYS 1 -6.403 -13.863 8.742
10 HD3 LYS 1 HD3 LYS 1 -8.043 -14.385 8.397
11 HE2 LYS 1 HE2 LYS 1 -5.503 -15.533 7.144
12 HE3 LYS 1 HE3 LYS 1 -6.469 -16.258 8.427
13 HZ1 LYS 1 HZ1 LYS 1 -7.272 -17.296 6.576
14 HZ2 LYS 1 HZ2 LYS 1 -7.189 -15.987 5.586
15 HZ3 LYS 1 HZ3 LYS 1 -8.376 -16.113 6.727
16 H GLY 2 H GLY 2 -3.744 -10.124 5.857
17 HA2 GLY 2 HA2 GLY 2 -1.474 -10.982 4.802
18 HA3 GLY 2 HA3 GLY 2 -2.338 -10.712 3.293
19 H CYS 3 H CYS 3 -1.976 -8.844 2.397
20 HA CYS 3 HA CYS 3 -1.024 -6.448 3.635
21 HB2 CYS 3 HB2 CYS 3 -0.988 -7.311 1.140
22 HB3 CYS 3 HB3 CYS 3 -2.562 -6.547 1.061
23 H TRP 4 H TRP 4 -2.134 -4.483 3.214
24 HA TRP 4 HA TRP 4 -4.829 -4.217 4.439
25 HB2 TRP 4 HB2 TRP 4 -3.285 -2.675 5.311
26 HB3 TRP 4 HB3 TRP 4 -2.407 -2.582 3.835
27 HD1 TRP 4 HD1 TRP 4 -6.066 -1.469 4.624
28 HE1 TRP 4 HE1 TRP 4 -6.246 0.964 3.800
29 HE3 TRP 4 HE3 TRP 4 -1.272 -0.823 3.010
30 HZ2 TRP 4 HZ2 TRP 4 -4.483 2.913 2.607
31 HZ3 TRP 4 HZ3 TRP 4 -0.549 1.284 2.064
32 HH2 TRP 4 HH2 TRP 4 -2.137 3.218 1.838
33 H LYS 5 H LYS 5 -3.198 -2.953 1.490
34 HA LYS 5 HA LYS 5 -5.851 -2.861 0.143
35 HB2 LYS 5 HB2 LYS 5 -5.182 -1.023 -1.047
36 HB3 LYS 5 HB3 LYS 5 -4.526 -0.775 0.547
37 HG2 LYS 5 HG2 LYS 5 -2.742 -0.104 -0.725
38 HG3 LYS 5 HG3 LYS 5 -2.317 -1.779 -0.421
39 HD2 LYS 5 HD2 LYS 5 -1.835 -1.166 -2.744
40 HD3 LYS 5 HD3 LYS 5 -3.068 -2.400 -2.694
41 HE2 LYS 5 HE2 LYS 5 -4.533 -1.132 -3.792
42 HE3 LYS 5 HE3 LYS 5 -4.384 0.145 -2.593
43 HZ1 LYS 5 HZ1 LYS 5 -3.839 0.844 -4.854
44 HZ2 LYS 5 HZ2 LYS 5 -2.513 -0.140 -4.877
45 HZ3 LYS 5 HZ3 LYS 5 -2.620 1.115 -3.808
46 H CYS 6 H CYS 6 -2.702 -4.398 -0.273
47 HA CYS 6 HA CYS 6 -2.997 -4.815 -3.068
48 HB2 CYS 6 HB2 CYS 6 -1.259 -6.392 -1.119
49 HB3 CYS 6 HB3 CYS 6 -1.054 -6.220 -2.866
50 H GLY 7 H GLY 7 -3.483 -6.979 -0.357
51 HA2 GLY 7 HA2 GLY 7 -5.318 -8.370 -0.084
52 HA3 GLY 7 HA3 GLY 7 -5.484 -8.611 -1.831
53 H LYS 8 H LYS 8 -2.373 -8.890 -0.316
54 HA LYS 8 HA LYS 8 -2.266 -11.857 -0.724
55 HB2 LYS 8 HB2 LYS 8 -0.094 -9.860 -1.448
56 HB3 LYS 8 HB3 LYS 8 -0.210 -11.546 -1.933
57 HG2 LYS 8 HG2 LYS 8 -2.083 -11.029 -3.429
58 HG3 LYS 8 HG3 LYS 8 -2.094 -9.333 -2.935
59 HD2 LYS 8 HD2 LYS 8 0.410 -10.538 -4.113
60 HD3 LYS 8 HD3 LYS 8 -0.942 -10.026 -5.121
61 HE2 LYS 8 HE2 LYS 8 0.657 -8.284 -5.108
62 HE3 LYS 8 HE3 LYS 8 -0.811 -7.741 -4.311
63 HZ1 LYS 8 HZ1 LYS 8 1.330 -7.126 -3.210
64 HZ2 LYS 8 HZ2 LYS 8 1.594 -8.691 -2.857
65 HZ3 LYS 8 HZ3 LYS 8 0.320 -7.917 -2.174
66 H GLU 9 H GLU 9 -0.548 -12.913 0.578
67 HA GLU 9 HA GLU 9 0.237 -11.471 3.021
68 HB2 GLU 9 HB2 GLU 9 0.739 -14.309 2.077
69 HB3 GLU 9 HB3 GLU 9 1.404 -13.619 3.560
70 HG2 GLU 9 HG2 GLU 9 -0.841 -13.166 4.423
71 HG3 GLU 9 HG3 GLU 9 -1.568 -13.841 2.966
72 H GLY 10 H GLY 10 1.207 -9.951 1.143
73 HA2 GLY 10 HA2 GLY 10 4.015 -10.651 0.475
74 HA3 GLY 10 HA3 GLY 10 3.100 -9.253 -0.080
75 H HIS 11 H HIS 11 2.155 -8.361 2.500
76 HA HIS 11 HA HIS 11 4.241 -7.711 4.290
77 HB2 HIS 11 HB2 HIS 11 4.504 -5.311 3.562
78 HB3 HIS 11 HB3 HIS 11 5.332 -6.460 2.522
79 HD1 HIS 11 HD1 HIS 11 4.931 -5.795 -0.035
80 HD2 HIS 11 HD2 HIS 11 1.994 -4.530 2.653
81 HE1 HIS 11 HE1 HIS 11 3.167 -4.569 -1.408
82 H GLN 12 H GLN 12 3.576 -5.544 5.483
83 HA GLN 12 HA GLN 12 0.585 -5.139 5.569
84 HB2 GLN 12 HB2 GLN 12 1.717 -6.251 7.584
85 HB3 GLN 12 HB3 GLN 12 2.599 -4.754 7.812
86 HG2 GLN 12 HG2 GLN 12 0.756 -3.739 8.777
87 HG3 GLN 12 HG3 GLN 12 -0.368 -4.423 7.600
88 HE21 GLN 12 HE21 GLN 12 1.522 -5.280 10.524
89 HE22 GLN 12 HE22 GLN 12 0.349 -6.472 11.085
90 H MET 13 H MET 13 0.232 -2.868 6.716
91 HA MET 13 HA MET 13 0.448 -1.122 4.581
92 HB2 MET 13 HB2 MET 13 0.229 -0.255 7.474
93 HB3 MET 13 HB3 MET 13 -0.348 0.599 6.038
94 HG2 MET 13 HG2 MET 13 -2.191 -0.648 5.786
95 HG3 MET 13 HG3 MET 13 -1.469 -2.071 6.358
96 HE1 MET 13 HE1 MET 13 -3.922 0.843 8.847
97 HE2 MET 13 HE2 MET 13 -2.655 1.483 7.786
98 HE3 MET 13 HE3 MET 13 -4.004 0.547 7.102
99 H LYS 14 H LYS 14 2.690 -1.407 7.291
100 HA LYS 14 HA LYS 14 4.342 0.854 6.765
101 HB2 LYS 14 HB2 LYS 14 4.859 -1.829 8.139
102 HB3 LYS 14 HB3 LYS 14 5.993 -0.499 8.189
103 HG2 LYS 14 HG2 LYS 14 3.120 -0.379 9.205
104 HG3 LYS 14 HG3 LYS 14 4.502 -0.719 10.224
105 HD2 LYS 14 HD2 LYS 14 5.265 1.412 10.243
106 HD3 LYS 14 HD3 LYS 14 4.646 1.846 8.657
107 HE2 LYS 14 HE2 LYS 14 2.955 1.507 11.175
108 HE3 LYS 14 HE3 LYS 14 3.572 3.045 10.559
109 HZ1 LYS 14 HZ1 LYS 14 1.580 1.291 9.274
110 HZ2 LYS 14 HZ2 LYS 14 2.293 2.590 8.483
111 HZ3 LYS 14 HZ3 LYS 14 1.356 2.806 9.799
112 H ASP 15 H ASP 15 4.210 -2.138 5.023
113 HA ASP 15 HA ASP 15 6.680 -1.356 3.505
114 HB2 ASP 15 HB2 ASP 15 5.718 -3.905 4.644
115 HB3 ASP 15 HB3 ASP 15 6.242 -4.013 2.964
116 H CYS 16 H CYS 16 3.396 -1.398 3.402
117 HA CYS 16 HA CYS 16 3.109 -1.908 0.518
118 HB2 CYS 16 HB2 CYS 16 1.514 -2.732 2.351
119 HB3 CYS 16 HB3 CYS 16 1.062 -1.175 2.621
120 H THR 17 H THR 17 1.972 0.598 2.722
121 HA THR 17 HA THR 17 1.216 2.662 2.415
122 HB THR 17 HB THR 17 2.661 4.335 2.375
123 HG1 THR 17 HG1 THR 17 4.354 4.625 1.144
124 HG21 THR 17 HG21 THR 17 4.805 3.648 3.242
125 HG22 THR 17 HG22 THR 17 4.614 2.035 2.504
126 HG23 THR 17 HG23 THR 17 3.559 2.533 3.853
127 H GLU 18 H GLU 18 0.631 0.821 0.047
128 HA GLU 18 HA GLU 18 0.885 2.641 -2.112
129 HB2 GLU 18 HB2 GLU 18 -0.044 -0.217 -1.957
130 HB3 GLU 18 HB3 GLU 18 -0.019 0.658 -3.480
131 HG2 GLU 18 HG2 GLU 18 2.530 1.094 -2.278
132 HG3 GLU 18 HG3 GLU 18 2.143 -0.618 -2.067
133 H ARG 19 H ARG 19 -1.555 2.828 -0.061
134 HA ARG 19 HA ARG 19 -3.583 3.834 0.044
135 HB2 ARG 19 HB2 ARG 19 -2.679 5.222 -1.955
136 HB3 ARG 19 HB3 ARG 19 -3.656 4.205 -2.980
137 HG2 ARG 19 HG2 ARG 19 -5.683 4.950 -1.668
138 HG3 ARG 19 HG3 ARG 19 -4.606 5.961 -0.686
139 HD2 ARG 19 HD2 ARG 19 -3.878 6.826 -3.159
140 HD3 ARG 19 HD3 ARG 19 -5.519 6.336 -3.538
141 HE ARG 19 HE ARG 19 -4.621 8.632 -1.991
142 HH11 ARG 19 HH11 ARG 19 -7.575 6.753 -2.615
143 HH12 ARG 19 HH12 ARG 19 -8.485 7.932 -1.673
144 HH21 ARG 19 HH21 ARG 19 -5.929 10.014 -1.021
145 HH22 ARG 19 HH22 ARG 19 -7.658 9.667 -0.920
146 H5' DT 20 H5' DT 20 9.352 3.402 3.460
147 H5'' DT 20 H5'' DT 20 8.162 4.533 2.808
148 H4' DT 20 H4' DT 20 10.150 4.603 1.472
149 H3' DT 20 H3' DT 20 7.614 3.957 0.231
150 H2' DT 20 H2' DT 20 8.449 1.873 -0.534
151 H2'' DT 20 H2'' DT 20 9.025 2.956 -1.827
152 H1' DT 20 H1' DT 20 11.179 3.244 -0.625
153 H3 DT 20 H3 DT 20 12.747 -1.415 0.566
154 H71 DT 20 H71 DT 20 11.889 -1.481 -4.120
155 H72 DT 20 H72 DT 20 10.535 -0.353 -4.294
156 H73 DT 20 H73 DT 20 10.271 -1.982 -3.618
157 H6 DT 20 H6 DT 20 10.312 1.226 -2.641
158 HO5' DT 20 HO5' DT 20 7.221 2.566 3.432
159 H5' DA 21 H5' DA 21 7.491 7.549 -2.913
160 H5'' DA 21 H5'' DA 21 6.892 8.459 -1.513
161 H4' DA 21 H4' DA 21 5.092 8.316 -2.971
162 H3' DA 21 H3' DA 21 4.949 6.483 -0.652
163 H2' DA 21 H2' DA 21 3.220 5.180 -1.347
164 H2'' DA 21 H2'' DA 21 2.646 6.322 -2.532
165 H1' DA 21 H1' DA 21 3.778 5.097 -4.061
166 H8 DA 21 H8 DA 21 3.846 3.247 -1.361
167 H61 DA 21 H61 DA 21 8.274 -0.301 -3.857
168 H62 DA 21 H62 DA 21 7.056 -0.235 -2.573
169 H2 DA 21 H2 DA 21 8.557 3.560 -5.742
170 H5' DC 22 H5' DC 22 0.131 10.523 -1.004
171 H5'' DC 22 H5'' DC 22 1.247 10.384 0.354
172 H4' DC 22 H4' DC 22 -0.865 10.072 1.262
173 H3' DC 22 H3' DC 22 0.938 7.855 1.250
174 H2' DC 22 H2' DC 22 -0.297 6.004 0.828
175 H2'' DC 22 H2'' DC 22 -1.725 6.625 1.645
176 H1' DC 22 H1' DC 22 -2.614 7.032 -0.399
177 H41 DC 22 H41 DC 22 0.619 6.812 -5.961
178 H42 DC 22 H42 DC 22 1.124 5.241 -5.350
179 H5 DC 22 H5 DC 22 0.709 4.550 -3.120
180 H6 DC 22 H6 DC 22 -0.298 5.193 -1.014
181 H5' DG 23 H5' DG 23 -3.144 6.489 3.275
182 H5'' DG 23 H5'' DG 23 -3.723 6.532 4.919
183 H4' DG 23 H4' DG 23 -3.065 4.300 3.830
184 H3' DG 23 H3' DG 23 -2.028 4.906 6.586
185 H2' DG 23 H2' DG 23 -1.005 2.775 6.551
186 H2'' DG 23 H2'' DG 23 -1.979 2.145 5.239
187 H1' DG 23 H1' DG 23 -0.396 2.847 3.772
188 H8 DG 23 H8 DG 23 1.157 1.904 6.204
189 H1 DG 23 H1 DG 23 4.232 7.488 5.507
190 H21 DG 23 H21 DG 23 3.144 8.731 4.036
191 H22 DG 23 H22 DG 23 1.501 8.232 3.548
192 H5' DC 24 H5' DC 24 -6.163 6.587 5.125
193 H5'' DC 24 H5'' DC 24 -7.399 5.346 4.893
194 H4' DC 24 H4' DC 24 -5.732 6.825 2.921
195 H3' DC 24 H3' DC 24 -8.399 5.454 2.873
196 H2' DC 24 H2' DC 24 -8.201 5.208 0.446
197 H2'' DC 24 H2'' DC 24 -6.782 6.265 0.433
198 H1' DC 24 H1' DC 24 -5.818 4.082 0.469
199 H41 DC 24 H41 DC 24 -10.066 -0.458 1.509
200 H42 DC 24 H42 DC 24 -9.868 -0.307 3.259
201 H5 DC 24 H5 DC 24 -8.428 1.328 4.231
202 H6 DC 24 H6 DC 24 -6.973 3.242 3.772
203 H5' DC 25 H5' DC 25 -12.091 7.030 3.894
204 H5'' DC 25 H5'' DC 25 -10.769 6.122 4.635
205 H4' DC 25 H4' DC 25 -12.618 4.643 4.194
206 H3' DC 25 H3' DC 25 -10.098 4.197 2.620
207 HO3' DC 25 HO3' DC 25 -10.454 2.127 3.842
208 H2' DC 25 H2' DC 25 -11.161 3.062 1.005
209 H2'' DC 25 H2'' DC 25 -11.923 1.974 2.190
210 H1' DC 25 H1' DC 25 -13.835 3.267 2.420
211 H41 DC 25 H41 DC 25 -16.147 3.126 -3.414
212 H42 DC 25 H42 DC 25 -15.185 4.517 -3.875
213 H5 DC 25 H5 DC 25 -13.616 5.556 -2.441
214 H6 DC 25 H6 DC 25 -12.625 5.508 -0.209
Start of MODEL 18
1 H1 LYS 1 H1 LYS 1 -6.942 -9.714 4.129
2 H2 LYS 1 H2 LYS 1 -6.402 -9.740 5.671
3 H3 LYS 1 H3 LYS 1 -7.853 -10.395 5.291
4 HA LYS 1 HA LYS 1 -6.034 -12.032 5.687
5 HB2 LYS 1 HB2 LYS 1 -6.580 -13.457 3.750
6 HB3 LYS 1 HB3 LYS 1 -7.992 -12.785 4.557
7 HG2 LYS 1 HG2 LYS 1 -8.307 -11.134 2.800
8 HG3 LYS 1 HG3 LYS 1 -6.833 -11.626 1.982
9 HD2 LYS 1 HD2 LYS 1 -8.476 -12.691 0.724
10 HD3 LYS 1 HD3 LYS 1 -7.865 -13.970 1.771
11 HE2 LYS 1 HE2 LYS 1 -10.235 -14.185 1.797
12 HE3 LYS 1 HE3 LYS 1 -9.805 -13.464 3.353
13 HZ1 LYS 1 HZ1 LYS 1 -11.218 -11.844 2.830
14 HZ2 LYS 1 HZ2 LYS 1 -11.454 -12.401 1.309
15 HZ3 LYS 1 HZ3 LYS 1 -10.233 -11.330 1.636
16 H GLY 2 H GLY 2 -4.150 -10.382 5.730
17 HA2 GLY 2 HA2 GLY 2 -1.850 -10.922 4.925
18 HA3 GLY 2 HA3 GLY 2 -2.449 -10.869 3.296
19 H CYS 3 H CYS 3 -2.027 -9.092 2.185
20 HA CYS 3 HA CYS 3 -0.893 -6.719 3.345
21 HB2 CYS 3 HB2 CYS 3 -0.581 -7.570 0.895
22 HB3 CYS 3 HB3 CYS 3 -2.171 -6.880 0.621
23 H TRP 4 H TRP 4 -1.766 -4.716 3.464
24 HA TRP 4 HA TRP 4 -4.329 -4.370 4.664
25 HB2 TRP 4 HB2 TRP 4 -2.464 -2.909 5.157
26 HB3 TRP 4 HB3 TRP 4 -2.195 -2.599 3.480
27 HD1 TRP 4 HD1 TRP 4 -5.557 -2.096 5.404
28 HE1 TRP 4 HE1 TRP 4 -6.315 0.320 4.888
29 HE3 TRP 4 HE3 TRP 4 -1.429 -0.494 2.841
30 HZ2 TRP 4 HZ2 TRP 4 -5.354 2.498 3.394
31 HZ3 TRP 4 HZ3 TRP 4 -1.354 1.771 1.915
32 HH2 TRP 4 HH2 TRP 4 -3.332 3.280 2.077
33 H LYS 5 H LYS 5 -3.198 -3.203 1.471
34 HA LYS 5 HA LYS 5 -6.038 -2.900 0.579
35 HB2 LYS 5 HB2 LYS 5 -5.395 -1.139 -0.833
36 HB3 LYS 5 HB3 LYS 5 -4.644 -0.854 0.717
37 HG2 LYS 5 HG2 LYS 5 -2.872 -0.322 -0.606
38 HG3 LYS 5 HG3 LYS 5 -2.544 -2.013 -0.355
39 HD2 LYS 5 HD2 LYS 5 -2.166 -1.639 -2.630
40 HD3 LYS 5 HD3 LYS 5 -3.703 -2.458 -2.621
41 HE2 LYS 5 HE2 LYS 5 -3.546 0.579 -2.695
42 HE3 LYS 5 HE3 LYS 5 -3.167 -0.353 -4.130
43 HZ1 LYS 5 HZ1 LYS 5 -5.418 -1.449 -3.795
44 HZ2 LYS 5 HZ2 LYS 5 -5.382 0.074 -4.365
45 HZ3 LYS 5 HZ3 LYS 5 -5.766 -0.157 -2.794
46 H CYS 6 H CYS 6 -3.001 -4.447 -0.275
47 HA CYS 6 HA CYS 6 -3.729 -5.054 -2.935
48 HB2 CYS 6 HB2 CYS 6 -1.517 -6.355 -1.354
49 HB3 CYS 6 HB3 CYS 6 -1.630 -6.042 -3.087
50 H GLY 7 H GLY 7 -3.800 -6.996 -0.025
51 HA2 GLY 7 HA2 GLY 7 -4.935 -8.931 0.500
52 HA3 GLY 7 HA3 GLY 7 -5.609 -8.920 -1.146
53 H LYS 8 H LYS 8 -2.210 -9.176 -0.096
54 HA LYS 8 HA LYS 8 -2.025 -11.803 -1.541
55 HB2 LYS 8 HB2 LYS 8 -0.080 -9.512 -1.819
56 HB3 LYS 8 HB3 LYS 8 -0.118 -11.008 -2.760
57 HG2 LYS 8 HG2 LYS 8 -2.376 -10.325 -3.640
58 HG3 LYS 8 HG3 LYS 8 -2.148 -8.738 -2.895
59 HD2 LYS 8 HD2 LYS 8 -0.216 -9.904 -4.911
60 HD3 LYS 8 HD3 LYS 8 -1.665 -8.996 -5.351
61 HE2 LYS 8 HE2 LYS 8 0.510 -7.709 -5.397
62 HE3 LYS 8 HE3 LYS 8 -0.874 -6.977 -4.597
63 HZ1 LYS 8 HZ1 LYS 8 0.055 -7.643 -2.476
64 HZ2 LYS 8 HZ2 LYS 8 1.150 -6.715 -3.316
65 HZ3 LYS 8 HZ3 LYS 8 1.360 -8.332 -3.242
66 H GLU 9 H GLU 9 -1.631 -10.928 1.415
67 HA GLU 9 HA GLU 9 -0.158 -11.221 3.177
68 HB2 GLU 9 HB2 GLU 9 0.286 -13.757 1.592
69 HB3 GLU 9 HB3 GLU 9 0.707 -13.533 3.295
70 HG2 GLU 9 HG2 GLU 9 -1.519 -13.292 3.978
71 HG3 GLU 9 HG3 GLU 9 -2.121 -13.015 2.353
72 H GLY 10 H GLY 10 1.167 -9.610 1.058
73 HA2 GLY 10 HA2 GLY 10 3.871 -10.669 0.729
74 HA3 GLY 10 HA3 GLY 10 3.226 -9.158 0.086
75 H HIS 11 H HIS 11 2.358 -8.035 2.600
76 HA HIS 11 HA HIS 11 4.317 -8.059 4.614
77 HB2 HIS 11 HB2 HIS 11 5.127 -5.594 4.208
78 HB3 HIS 11 HB3 HIS 11 5.847 -6.873 3.259
79 HD1 HIS 11 HD1 HIS 11 6.323 -5.788 0.970
80 HD2 HIS 11 HD2 HIS 11 2.601 -4.744 2.646
81 HE1 HIS 11 HE1 HIS 11 5.089 -4.296 -0.727
82 H GLN 12 H GLN 12 3.977 -5.457 5.652
83 HA GLN 12 HA GLN 12 1.028 -5.122 5.974
84 HB2 GLN 12 HB2 GLN 12 2.746 -5.734 7.988
85 HB3 GLN 12 HB3 GLN 12 3.001 -3.997 7.940
86 HG2 GLN 12 HG2 GLN 12 1.162 -3.750 9.215
87 HG3 GLN 12 HG3 GLN 12 0.163 -4.316 7.888
88 HE21 GLN 12 HE21 GLN 12 0.039 -6.797 7.683
89 HE22 GLN 12 HE22 GLN 12 0.021 -7.694 9.207
90 H MET 13 H MET 13 0.476 -2.868 6.753
91 HA MET 13 HA MET 13 0.573 -1.216 4.516
92 HB2 MET 13 HB2 MET 13 0.377 -0.037 7.284
93 HB3 MET 13 HB3 MET 13 -0.414 0.413 5.741
94 HG2 MET 13 HG2 MET 13 -2.125 -0.899 6.019
95 HG3 MET 13 HG3 MET 13 -1.274 -2.145 6.819
96 HE1 MET 13 HE1 MET 13 -1.288 -1.288 10.543
97 HE2 MET 13 HE2 MET 13 -1.272 -2.597 9.359
98 HE3 MET 13 HE3 MET 13 -0.010 -1.348 9.329
99 H LYS 14 H LYS 14 2.855 -1.204 7.255
100 HA LYS 14 HA LYS 14 4.215 1.224 6.574
101 HB2 LYS 14 HB2 LYS 14 5.005 -1.264 8.155
102 HB3 LYS 14 HB3 LYS 14 6.050 0.131 8.032
103 HG2 LYS 14 HG2 LYS 14 3.210 0.129 9.149
104 HG3 LYS 14 HG3 LYS 14 4.649 0.048 10.142
105 HD2 LYS 14 HD2 LYS 14 5.219 2.287 9.789
106 HD3 LYS 14 HD3 LYS 14 4.355 2.429 8.290
107 HE2 LYS 14 HE2 LYS 14 3.089 2.239 11.057
108 HE3 LYS 14 HE3 LYS 14 3.284 3.701 10.076
109 HZ1 LYS 14 HZ1 LYS 14 1.117 2.980 9.618
110 HZ2 LYS 14 HZ2 LYS 14 1.524 1.413 9.518
111 HZ3 LYS 14 HZ3 LYS 14 1.974 2.508 8.340
112 H ASP 15 H ASP 15 4.440 -1.930 5.188
113 HA ASP 15 HA ASP 15 6.868 -1.136 3.643
114 HB2 ASP 15 HB2 ASP 15 5.870 -3.605 4.807
115 HB3 ASP 15 HB3 ASP 15 6.423 -3.766 3.118
116 H CYS 16 H CYS 16 3.478 -1.913 3.322
117 HA CYS 16 HA CYS 16 3.372 -1.984 0.462
118 HB2 CYS 16 HB2 CYS 16 1.770 -3.089 2.059
119 HB3 CYS 16 HB3 CYS 16 1.237 -1.609 2.551
120 H THR 17 H THR 17 1.997 0.371 2.685
121 HA THR 17 HA THR 17 1.201 2.440 2.490
122 HB THR 17 HB THR 17 2.656 4.210 1.863
123 HG1 THR 17 HG1 THR 17 4.778 2.929 1.001
124 HG21 THR 17 HG21 THR 17 4.470 1.943 2.721
125 HG22 THR 17 HG22 THR 17 3.336 2.767 3.802
126 HG23 THR 17 HG23 THR 17 4.659 3.688 3.054
127 H GLU 18 H GLU 18 0.492 0.574 0.030
128 HA GLU 18 HA GLU 18 0.767 2.439 -2.049
129 HB2 GLU 18 HB2 GLU 18 -0.530 -0.300 -2.003
130 HB3 GLU 18 HB3 GLU 18 -0.291 0.599 -3.494
131 HG2 GLU 18 HG2 GLU 18 1.862 -0.349 -1.654
132 HG3 GLU 18 HG3 GLU 18 1.415 -1.103 -3.180
133 H ARG 19 H ARG 19 -1.538 3.110 -0.096
134 HA ARG 19 HA ARG 19 -3.477 4.059 -0.073
135 HB2 ARG 19 HB2 ARG 19 -2.282 5.625 -1.683
136 HB3 ARG 19 HB3 ARG 19 -2.938 4.693 -3.015
137 HG2 ARG 19 HG2 ARG 19 -5.220 5.408 -1.494
138 HG3 ARG 19 HG3 ARG 19 -4.142 6.792 -1.380
139 HD2 ARG 19 HD2 ARG 19 -5.773 6.974 -3.265
140 HD3 ARG 19 HD3 ARG 19 -4.082 7.057 -3.774
141 HE ARG 19 HE ARG 19 -5.064 4.354 -3.879
142 HH11 ARG 19 HH11 ARG 19 -5.392 7.348 -5.699
143 HH12 ARG 19 HH12 ARG 19 -5.226 6.491 -7.235
144 HH21 ARG 19 HH21 ARG 19 -4.780 3.420 -5.915
145 HH22 ARG 19 HH22 ARG 19 -4.938 4.423 -7.342
146 H5' DT 20 H5' DT 20 9.784 1.689 2.723
147 H5'' DT 20 H5'' DT 20 8.843 2.939 3.540
148 H4' DT 20 H4' DT 20 10.464 4.017 2.227
149 H3' DT 20 H3' DT 20 7.655 4.490 1.593
150 H2' DT 20 H2' DT 20 7.995 4.019 -0.676
151 H2'' DT 20 H2'' DT 20 8.673 5.683 -0.675
152 H1' DT 20 H1' DT 20 10.897 4.837 -0.220
153 H3 DT 20 H3 DT 20 11.953 4.589 -4.615
154 H71 DT 20 H71 DT 20 9.318 0.035 -3.211
155 H72 DT 20 H72 DT 20 10.526 0.065 -4.509
156 H73 DT 20 H73 DT 20 8.913 0.714 -4.806
157 H6 DT 20 H6 DT 20 9.407 1.752 -1.657
158 HO5' DT 20 HO5' DT 20 7.453 1.392 2.830
159 H5' DA 21 H5' DA 21 8.061 8.573 1.386
160 H5'' DA 21 H5'' DA 21 6.959 9.245 2.600
161 H4' DA 21 H4' DA 21 5.797 9.370 0.561
162 H3' DA 21 H3' DA 21 4.926 6.986 2.175
163 H2' DA 21 H2' DA 21 4.022 5.952 0.501
164 H2'' DA 21 H2'' DA 21 3.127 7.380 -0.069
165 H1' DA 21 H1' DA 21 4.816 8.071 -1.505
166 H8 DA 21 H8 DA 21 3.716 4.730 -1.238
167 H61 DA 21 H61 DA 21 7.938 2.889 -5.451
168 H62 DA 21 H62 DA 21 6.518 2.359 -4.549
169 H2 DA 21 H2 DA 21 8.987 6.909 -4.252
170 H5' DC 22 H5' DC 22 0.405 10.801 0.254
171 H5'' DC 22 H5'' DC 22 0.664 11.069 1.969
172 H4' DC 22 H4' DC 22 -1.487 10.497 2.022
173 H3' DC 22 H3' DC 22 0.130 8.392 2.939
174 H2' DC 22 H2' DC 22 -0.425 6.563 1.688
175 H2'' DC 22 H2'' DC 22 -2.122 6.846 1.995
176 H1' DC 22 H1' DC 22 -2.417 7.503 -0.150
177 H41 DC 22 H41 DC 22 2.049 7.652 -4.701
178 H42 DC 22 H42 DC 22 2.508 6.087 -4.023
179 H5 DC 22 H5 DC 22 1.734 5.329 -1.881
180 H6 DC 22 H6 DC 22 0.214 5.815 -0.060
181 H5' DG 23 H5' DG 23 -3.318 6.904 4.266
182 H5'' DG 23 H5'' DG 23 -3.543 6.543 5.960
183 H4' DG 23 H4' DG 23 -3.299 4.668 4.021
184 H3' DG 23 H3' DG 23 -2.558 4.513 6.899
185 H2' DG 23 H2' DG 23 -1.276 2.692 6.685
186 H2'' DG 23 H2'' DG 23 -2.117 1.970 5.330
187 H1' DG 23 H1' DG 23 -0.664 2.929 3.858
188 H8 DG 23 H8 DG 23 0.797 1.837 6.333
189 H1 DG 23 H1 DG 23 4.450 6.975 5.323
190 H21 DG 23 H21 DG 23 3.177 8.466 4.021
191 H22 DG 23 H22 DG 23 1.436 8.286 4.181
192 H5' DC 24 H5' DC 24 -7.320 6.383 4.915
193 H5'' DC 24 H5'' DC 24 -7.538 4.672 4.586
194 H4' DC 24 H4' DC 24 -7.806 5.450 2.522
195 H3' DC 24 H3' DC 24 -5.147 4.373 2.886
196 H2' DC 24 H2' DC 24 -4.239 6.515 2.469
197 H2'' DC 24 H2'' DC 24 -4.180 5.773 0.834
198 H1' DC 24 H1' DC 24 -6.406 6.414 0.462
199 H41 DC 24 H41 DC 24 -3.452 12.235 -0.412
200 H42 DC 24 H42 DC 24 -4.139 11.820 -1.996
201 H5 DC 24 H5 DC 24 -5.558 9.926 -2.302
202 H6 DC 24 H6 DC 24 -6.388 7.889 -1.245
203 H5' DC 25 H5' DC 25 -10.406 3.518 0.115
204 H5'' DC 25 H5'' DC 25 -9.127 3.037 -1.006
205 H4' DC 25 H4' DC 25 -10.474 4.670 -2.107
206 H3' DC 25 H3' DC 25 -7.782 5.770 -1.202
207 HO3' DC 25 HO3' DC 25 -7.412 4.125 -2.651
208 H2' DC 25 H2' DC 25 -8.288 7.665 -2.533
209 H2'' DC 25 H2'' DC 25 -9.518 6.784 -3.477
210 H1' DC 25 H1' DC 25 -11.093 7.555 -2.032
211 H41 DC 25 H41 DC 25 -8.437 12.638 0.755
212 H42 DC 25 H42 DC 25 -7.825 11.627 2.062
213 H5 DC 25 H5 DC 25 -7.978 9.261 2.063
214 H6 DC 25 H6 DC 25 -8.846 7.310 0.867
Start of MODEL 19
1 H1 LYS 1 H1 LYS 1 -5.322 -9.123 6.931
2 H2 LYS 1 H2 LYS 1 -6.590 -10.027 7.397
3 H3 LYS 1 H3 LYS 1 -6.218 -9.889 5.800
4 HA LYS 1 HA LYS 1 -4.709 -11.279 7.900
5 HB2 LYS 1 HB2 LYS 1 -5.939 -12.349 5.331
6 HB3 LYS 1 HB3 LYS 1 -4.839 -13.237 6.374
7 HG2 LYS 1 HG2 LYS 1 -6.854 -14.053 7.060
8 HG3 LYS 1 HG3 LYS 1 -6.577 -12.801 8.271
9 HD2 LYS 1 HD2 LYS 1 -8.134 -11.290 7.050
10 HD3 LYS 1 HD3 LYS 1 -8.285 -12.484 5.753
11 HE2 LYS 1 HE2 LYS 1 -9.197 -14.103 7.513
12 HE3 LYS 1 HE3 LYS 1 -9.193 -12.755 8.647
13 HZ1 LYS 1 HZ1 LYS 1 -11.315 -12.669 7.779
14 HZ2 LYS 1 HZ2 LYS 1 -10.905 -13.154 6.284
15 HZ3 LYS 1 HZ3 LYS 1 -10.587 -11.607 6.743
16 H GLY 2 H GLY 2 -4.396 -10.884 4.284
17 HA2 GLY 2 HA2 GLY 2 -1.470 -10.837 4.505
18 HA3 GLY 2 HA3 GLY 2 -2.435 -10.684 3.049
19 H CYS 3 H CYS 3 -1.838 -8.758 2.126
20 HA CYS 3 HA CYS 3 -1.063 -6.368 3.408
21 HB2 CYS 3 HB2 CYS 3 -0.926 -7.164 0.912
22 HB3 CYS 3 HB3 CYS 3 -2.522 -6.437 0.779
23 H TRP 4 H TRP 4 -2.292 -4.357 2.915
24 HA TRP 4 HA TRP 4 -5.053 -4.245 4.046
25 HB2 TRP 4 HB2 TRP 4 -3.774 -2.530 4.985
26 HB3 TRP 4 HB3 TRP 4 -2.741 -2.428 3.601
27 HD1 TRP 4 HD1 TRP 4 -6.556 -1.602 3.771
28 HE1 TRP 4 HE1 TRP 4 -6.818 0.828 2.978
29 HE3 TRP 4 HE3 TRP 4 -1.627 -0.493 3.061
30 HZ2 TRP 4 HZ2 TRP 4 -5.060 2.938 2.004
31 HZ3 TRP 4 HZ3 TRP 4 -0.933 1.741 2.390
32 HH2 TRP 4 HH2 TRP 4 -2.619 3.528 1.943
33 H LYS 5 H LYS 5 -3.298 -3.065 1.144
34 HA LYS 5 HA LYS 5 -5.897 -2.976 -0.337
35 HB2 LYS 5 HB2 LYS 5 -5.135 -1.115 -1.531
36 HB3 LYS 5 HB3 LYS 5 -4.668 -0.831 0.135
37 HG2 LYS 5 HG2 LYS 5 -2.695 -0.237 -0.836
38 HG3 LYS 5 HG3 LYS 5 -2.371 -1.949 -0.659
39 HD2 LYS 5 HD2 LYS 5 -1.696 -1.463 -2.860
40 HD3 LYS 5 HD3 LYS 5 -3.265 -2.194 -3.112
41 HE2 LYS 5 HE2 LYS 5 -4.332 -0.018 -3.389
42 HE3 LYS 5 HE3 LYS 5 -2.887 0.802 -2.811
43 HZ1 LYS 5 HZ1 LYS 5 -2.599 1.026 -5.055
44 HZ2 LYS 5 HZ2 LYS 5 -3.335 -0.379 -5.463
45 HZ3 LYS 5 HZ3 LYS 5 -1.820 -0.395 -4.878
46 H CYS 6 H CYS 6 -2.672 -4.420 -0.525
47 HA CYS 6 HA CYS 6 -2.790 -4.938 -3.330
48 HB2 CYS 6 HB2 CYS 6 -1.156 -6.453 -1.255
49 HB3 CYS 6 HB3 CYS 6 -0.883 -6.295 -2.989
50 H GLY 7 H GLY 7 -3.662 -6.872 -0.530
51 HA2 GLY 7 HA2 GLY 7 -5.269 -8.434 -0.294
52 HA3 GLY 7 HA3 GLY 7 -5.494 -8.562 -2.059
53 H LYS 8 H LYS 8 -2.530 -8.972 -0.195
54 HA LYS 8 HA LYS 8 -2.220 -11.836 -0.945
55 HB2 LYS 8 HB2 LYS 8 -0.092 -9.784 -1.612
56 HB3 LYS 8 HB3 LYS 8 -0.222 -11.444 -2.180
57 HG2 LYS 8 HG2 LYS 8 -2.185 -10.820 -3.558
58 HG3 LYS 8 HG3 LYS 8 -2.044 -9.143 -3.032
59 HD2 LYS 8 HD2 LYS 8 0.255 -10.498 -4.423
60 HD3 LYS 8 HD3 LYS 8 -1.128 -9.829 -5.296
61 HE2 LYS 8 HE2 LYS 8 0.711 -8.254 -5.299
62 HE3 LYS 8 HE3 LYS 8 -0.715 -7.600 -4.512
63 HZ1 LYS 8 HZ1 LYS 8 1.396 -7.153 -3.311
64 HZ2 LYS 8 HZ2 LYS 8 1.635 -8.746 -3.094
65 HZ3 LYS 8 HZ3 LYS 8 0.372 -8.005 -2.363
66 H GLU 9 H GLU 9 -0.764 -12.915 0.469
67 HA GLU 9 HA GLU 9 0.115 -11.552 2.890
68 HB2 GLU 9 HB2 GLU 9 0.694 -14.310 1.788
69 HB3 GLU 9 HB3 GLU 9 1.232 -13.739 3.377
70 HG2 GLU 9 HG2 GLU 9 -1.163 -13.315 3.982
71 HG3 GLU 9 HG3 GLU 9 -1.637 -14.148 2.489
72 H GLY 10 H GLY 10 1.238 -10.059 0.819
73 HA2 GLY 10 HA2 GLY 10 4.074 -10.834 0.482
74 HA3 GLY 10 HA3 GLY 10 3.274 -9.399 -0.160
75 H HIS 11 H HIS 11 2.127 -8.320 2.199
76 HA HIS 11 HA HIS 11 4.120 -8.012 4.271
77 HB2 HIS 11 HB2 HIS 11 4.434 -5.540 3.789
78 HB3 HIS 11 HB3 HIS 11 5.278 -6.634 2.711
79 HD1 HIS 11 HD1 HIS 11 5.145 -5.713 0.307
80 HD2 HIS 11 HD2 HIS 11 1.876 -4.683 2.664
81 HE1 HIS 11 HE1 HIS 11 3.497 -4.537 -1.244
82 H GLN 12 H GLN 12 3.526 -5.776 5.438
83 HA GLN 12 HA GLN 12 0.557 -5.379 5.723
84 HB2 GLN 12 HB2 GLN 12 2.590 -5.996 7.680
85 HB3 GLN 12 HB3 GLN 12 2.261 -4.290 7.832
86 HG2 GLN 12 HG2 GLN 12 -0.190 -4.840 8.084
87 HG3 GLN 12 HG3 GLN 12 0.193 -6.549 7.803
88 HE21 GLN 12 HE21 GLN 12 0.747 -3.839 10.116
89 HE22 GLN 12 HE22 GLN 12 0.904 -4.926 11.491
90 H MET 13 H MET 13 0.051 -3.213 6.568
91 HA MET 13 HA MET 13 0.258 -1.323 4.545
92 HB2 MET 13 HB2 MET 13 -0.073 -0.952 7.550
93 HB3 MET 13 HB3 MET 13 -0.331 0.326 6.351
94 HG2 MET 13 HG2 MET 13 -2.128 -0.745 5.360
95 HG3 MET 13 HG3 MET 13 -1.733 -2.267 5.968
96 HE1 MET 13 HE1 MET 13 -1.572 -2.753 8.675
97 HE2 MET 13 HE2 MET 13 -3.217 -2.728 9.343
98 HE3 MET 13 HE3 MET 13 -2.912 -3.477 7.761
99 H LYS 14 H LYS 14 2.428 -1.580 7.356
100 HA LYS 14 HA LYS 14 3.954 0.757 6.815
101 HB2 LYS 14 HB2 LYS 14 4.547 -1.813 8.315
102 HB3 LYS 14 HB3 LYS 14 5.685 -0.489 8.252
103 HG2 LYS 14 HG2 LYS 14 2.809 -0.317 9.280
104 HG3 LYS 14 HG3 LYS 14 4.211 -0.509 10.311
105 HD2 LYS 14 HD2 LYS 14 4.864 1.677 10.150
106 HD3 LYS 14 HD3 LYS 14 4.227 1.937 8.537
107 HE2 LYS 14 HE2 LYS 14 2.470 1.514 10.973
108 HE3 LYS 14 HE3 LYS 14 3.014 3.121 10.480
109 HZ1 LYS 14 HZ1 LYS 14 1.767 2.978 8.516
110 HZ2 LYS 14 HZ2 LYS 14 0.757 2.348 9.648
111 HZ3 LYS 14 HZ3 LYS 14 1.528 1.337 8.660
112 H ASP 15 H ASP 15 4.133 -2.325 5.228
113 HA ASP 15 HA ASP 15 6.629 -1.433 3.830
114 HB2 ASP 15 HB2 ASP 15 5.539 -3.975 4.731
115 HB3 ASP 15 HB3 ASP 15 5.920 -4.003 3.000
116 H CYS 16 H CYS 16 3.203 -1.968 3.412
117 HA CYS 16 HA CYS 16 3.110 -2.052 0.566
118 HB2 CYS 16 HB2 CYS 16 1.348 -2.870 2.259
119 HB3 CYS 16 HB3 CYS 16 0.956 -1.309 2.569
120 H THR 17 H THR 17 1.917 0.425 2.783
121 HA THR 17 HA THR 17 1.198 2.538 2.410
122 HB THR 17 HB THR 17 3.311 2.884 3.322
123 HG1 THR 17 HG1 THR 17 2.703 4.591 1.202
124 HG21 THR 17 HG21 THR 17 5.263 3.608 1.855
125 HG22 THR 17 HG22 THR 17 4.466 2.696 0.555
126 HG23 THR 17 HG23 THR 17 4.962 1.871 2.037
127 H GLU 18 H GLU 18 0.443 0.947 0.117
128 HA GLU 18 HA GLU 18 0.757 2.796 -2.154
129 HB2 GLU 18 HB2 GLU 18 -0.472 0.068 -1.888
130 HB3 GLU 18 HB3 GLU 18 -0.344 0.927 -3.421
131 HG2 GLU 18 HG2 GLU 18 1.943 0.004 -1.713
132 HG3 GLU 18 HG3 GLU 18 1.374 -0.755 -3.182
133 H ARG 19 H ARG 19 -1.450 3.289 0.065
134 HA ARG 19 HA ARG 19 -3.378 4.471 0.227
135 HB2 ARG 19 HB2 ARG 19 -2.291 5.801 -1.699
136 HB3 ARG 19 HB3 ARG 19 -3.331 4.914 -2.769
137 HG2 ARG 19 HG2 ARG 19 -5.007 6.047 -0.721
138 HG3 ARG 19 HG3 ARG 19 -3.894 7.296 -1.246
139 HD2 ARG 19 HD2 ARG 19 -4.536 7.029 -3.574
140 HD3 ARG 19 HD3 ARG 19 -5.541 5.623 -3.185
141 HE ARG 19 HE ARG 19 -6.498 7.867 -1.709
142 HH11 ARG 19 HH11 ARG 19 -6.302 6.919 -5.116
143 HH12 ARG 19 HH12 ARG 19 -7.846 7.671 -5.458
144 HH21 ARG 19 HH21 ARG 19 -8.587 8.758 -2.379
145 HH22 ARG 19 HH22 ARG 19 -8.856 8.850 -4.083
146 H5' DT 20 H5' DT 20 9.985 6.642 4.281
147 H5'' DT 20 H5'' DT 20 9.057 7.013 2.838
148 H4' DT 20 H4' DT 20 10.265 4.954 2.510
149 H3' DT 20 H3' DT 20 7.361 5.104 2.294
150 H2' DT 20 H2' DT 20 7.030 3.377 3.795
151 H2'' DT 20 H2'' DT 20 7.444 2.342 2.393
152 H1' DT 20 H1' DT 20 9.766 2.287 3.012
153 H3 DT 20 H3 DT 20 8.869 -1.360 5.622
154 H71 DT 20 H71 DT 20 8.588 2.164 9.163
155 H72 DT 20 H72 DT 20 6.993 1.425 8.917
156 H73 DT 20 H73 DT 20 7.309 3.067 8.316
157 H6 DT 20 H6 DT 20 8.202 3.366 6.199
158 HO5' DT 20 HO5' DT 20 7.394 7.176 4.111
159 H5' DA 21 H5' DA 21 8.147 7.743 -1.216
160 H5'' DA 21 H5'' DA 21 7.760 7.806 0.504
161 H4' DA 21 H4' DA 21 6.094 9.022 -0.607
162 H3' DA 21 H3' DA 21 5.327 6.427 0.545
163 H2' DA 21 H2' DA 21 3.332 6.063 -0.602
164 H2'' DA 21 H2'' DA 21 3.166 7.710 -1.110
165 H1' DA 21 H1' DA 21 4.045 6.880 -3.102
166 H8 DA 21 H8 DA 21 4.211 4.288 -0.866
167 H61 DA 21 H61 DA 21 8.832 1.570 -4.112
168 H62 DA 21 H62 DA 21 7.774 1.309 -2.739
169 H2 DA 21 H2 DA 21 8.201 5.468 -5.771
170 H5' DC 22 H5' DC 22 0.808 10.049 -0.357
171 H5'' DC 22 H5'' DC 22 1.319 10.864 1.110
172 H4' DC 22 H4' DC 22 -0.647 10.410 1.939
173 H3' DC 22 H3' DC 22 0.791 8.226 2.821
174 H2' DC 22 H2' DC 22 0.084 6.407 1.637
175 H2'' DC 22 H2'' DC 22 -1.556 6.703 2.200
176 H1' DC 22 H1' DC 22 -2.184 7.302 0.117
177 H41 DC 22 H41 DC 22 1.512 7.203 -5.113
178 H42 DC 22 H42 DC 22 2.144 5.715 -4.406
179 H5 DC 22 H5 DC 22 1.622 5.007 -2.230
180 H6 DC 22 H6 DC 22 0.447 5.564 -0.173
181 H5' DG 23 H5' DG 23 -2.620 6.947 4.371
182 H5'' DG 23 H5'' DG 23 -3.012 6.755 6.069
183 H4' DG 23 H4' DG 23 -2.875 4.694 4.472
184 H3' DG 23 H3' DG 23 -1.608 4.684 7.195
185 H2' DG 23 H2' DG 23 -0.596 2.677 6.794
186 H2'' DG 23 H2'' DG 23 -1.711 2.124 5.538
187 H1' DG 23 H1' DG 23 -0.333 2.998 3.925
188 H8 DG 23 H8 DG 23 1.321 1.704 6.095
189 H1 DG 23 H1 DG 23 5.131 6.675 4.738
190 H21 DG 23 H21 DG 23 3.855 8.317 3.804
191 H22 DG 23 H22 DG 23 2.115 8.210 4.058
192 H5' DC 24 H5' DC 24 -7.063 4.101 5.666
193 H5'' DC 24 H5'' DC 24 -5.619 3.112 5.306
194 H4' DC 24 H4' DC 24 -4.971 4.465 3.518
195 H3' DC 24 H3' DC 24 -7.065 6.496 4.320
196 H2' DC 24 H2' DC 24 -6.740 7.223 2.001
197 H2'' DC 24 H2'' DC 24 -5.278 6.222 1.841
198 H1' DC 24 H1' DC 24 -6.618 4.537 1.124
199 H41 DC 24 H41 DC 24 -12.692 7.021 1.120
200 H42 DC 24 H42 DC 24 -12.190 7.157 -0.549
201 H5 DC 24 H5 DC 24 -9.925 6.640 -1.227
202 H6 DC 24 H6 DC 24 -7.807 5.689 -0.448
203 H5' DC 25 H5' DC 25 -6.186 10.978 4.076
204 H5'' DC 25 H5'' DC 25 -7.653 10.424 4.896
205 H4' DC 25 H4' DC 25 -8.455 11.535 3.038
206 H3' DC 25 H3' DC 25 -8.557 8.599 2.614
207 HO3' DC 25 HO3' DC 25 -10.661 9.131 2.090
208 H2' DC 25 H2' DC 25 -7.619 8.767 0.531
209 H2'' DC 25 H2'' DC 25 -9.206 9.433 0.043
210 H1' DC 25 H1' DC 25 -8.448 11.693 0.419
211 H41 DC 25 H41 DC 25 -5.188 10.970 -4.992
212 H42 DC 25 H42 DC 25 -3.730 10.621 -4.087
213 H5 DC 25 H5 DC 25 -3.736 10.170 -1.750
214 H6 DC 25 H6 DC 25 -5.081 10.236 0.303