Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633319 | 6mjd RC | 30519 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 1HT ARG 1 0.067 6.291 -3.542
2 H2 ARG 1 2HT ARG 1 0.702 7.814 -3.864
3 H3 ARG 1 3HT ARG 1 -0.922 7.652 -3.534
4 HA ARG 1 HA ARG 1 1.320 7.055 -1.716
5 HB2 ARG 1 2HB ARG 1 0.501 8.928 -0.368
6 HB3 ARG 1 1HB ARG 1 1.151 9.446 -1.927
7 HG2 ARG 1 2HG ARG 1 -1.158 9.680 -2.741
8 HG3 ARG 1 1HG ARG 1 -1.757 9.169 -1.167
9 HD2 ARG 1 2HD ARG 1 -1.854 11.577 -1.327
10 HD3 ARG 1 1HD ARG 1 -0.634 11.103 -0.147
11 HE ARG 1 HE ARG 1 0.381 11.577 -2.801
12 HH11 ARG 1 1HH1 ARG 1 -0.319 13.055 0.363
13 HH12 ARG 1 2HH1 ARG 1 0.735 14.370 0.088
14 HH21 ARG 1 1HH2 ARG 1 1.765 13.372 -3.123
15 HH22 ARG 1 2HH2 ARG 1 1.939 14.565 -1.908
16 H ASP 2 HN ASP 2 -2.269 7.167 -2.011
17 HA ASP 2 HA ASP 2 -2.412 5.978 0.601
18 HB2 ASP 2 2HB ASP 2 -4.906 6.122 0.279
19 HB3 ASP 2 1HB ASP 2 -4.082 7.669 0.219
20 H CYS 3 HN CYS 3 -2.048 4.005 0.758
21 HA CYS 3 HA CYS 3 -2.963 2.161 -1.362
22 HB2 CYS 3 2HB CYS 3 -0.526 1.815 0.380
23 HB3 CYS 3 1HB CYS 3 -1.007 0.835 -1.010
24 H CYS 4 HN CYS 4 -2.949 2.845 2.015
25 HA CYS 4 HA CYS 4 -3.546 0.098 2.834
26 HB2 CYS 4 2HB CYS 4 -3.302 2.552 4.572
27 HB3 CYS 4 1HB CYS 4 -3.116 0.868 5.038
28 H THR 5 HN THR 5 -5.331 2.721 1.742
29 HA THR 5 HA THR 5 -7.463 2.747 3.574
30 HB THR 5 HB THR 5 -7.661 3.266 0.592
31 HG1 THR 5 1HG THR 5 -6.272 4.553 2.561
32 HG21 THR 5 1HG2 THR 5 -9.163 4.386 2.954
33 HG22 THR 5 2HG2 THR 5 -9.741 3.110 1.907
34 HG23 THR 5 3HG2 THR 5 -9.496 4.743 1.248
35 HA HYP 6 HA HYP 6 -8.893 -1.373 2.432
36 HB2 HYP 6 1HB HYP 6 -9.681 -2.053 4.453
37 HB3 HYP 6 2HB HYP 6 -11.121 -1.038 4.285
38 HG HYP 6 HG HYP 6 -9.924 0.032 6.081
39 HD22 HYP 6 1HD1 HYP 6 -8.707 1.907 4.759
40 HD23 HYP 6 2HD1 HYP 6 -10.392 1.612 4.245
41 HD1 HYP 6 2HD HYP 6 -7.631 0.186 4.708
42 HA HYP 7 HA HYP 7 -9.812 -3.149 1.557
43 HB2 HYP 7 1HB HYP 7 -10.741 -4.475 -0.063
44 HB3 HYP 7 2HB HYP 7 -10.207 -3.363 -1.325
45 HG HYP 7 HG HYP 7 -12.534 -3.087 -1.446
46 HD22 HYP 7 1HD1 HYP 7 -12.934 -1.067 0.273
47 HD23 HYP 7 2HD1 HYP 7 -11.684 -0.863 -0.977
48 HD1 HYP 7 2HD HYP 7 -13.687 -2.908 0.603
49 H LYS 8 HN LYS 8 -7.693 -3.323 1.213
50 HA LYS 8 HA LYS 8 -6.331 -0.966 0.716
51 HB2 LYS 8 2HB LYS 8 -5.161 -3.732 0.717
52 HB3 LYS 8 1HB LYS 8 -4.305 -2.223 1.002
53 HG2 LYS 8 2HG LYS 8 -5.625 -1.861 3.039
54 HG3 LYS 8 1HG LYS 8 -6.471 -3.373 2.733
55 HD2 LYS 8 2HD LYS 8 -4.175 -4.472 2.710
56 HD3 LYS 8 1HD LYS 8 -3.585 -2.970 3.374
57 HE2 LYS 8 2HE LYS 8 -4.874 -3.139 5.323
58 HE3 LYS 8 1HE LYS 8 -5.835 -4.477 4.686
59 HZ1 LYS 8 1HZ LYS 8 -3.919 -5.892 4.826
60 HZ2 LYS 8 2HZ LYS 8 -4.094 -5.145 6.332
61 HZ3 LYS 8 3HZ LYS 8 -2.923 -4.611 5.236
62 H LYS 9 HN LYS 9 -5.577 -0.076 -0.899
63 HA LYS 9 HA LYS 9 -5.813 -1.341 -3.495
64 HB2 LYS 9 2HB LYS 9 -5.623 1.061 -4.314
65 HB3 LYS 9 1HB LYS 9 -7.080 0.631 -3.440
66 HG2 LYS 9 2HG LYS 9 -5.942 1.633 -1.380
67 HG3 LYS 9 1HG LYS 9 -4.771 2.312 -2.515
68 HD2 LYS 9 2HD LYS 9 -7.757 2.730 -2.671
69 HD3 LYS 9 1HD LYS 9 -6.626 3.866 -1.944
70 HE2 LYS 9 2HE LYS 9 -6.468 2.953 -4.819
71 HE3 LYS 9 1HE LYS 9 -7.322 4.400 -4.291
72 HZ1 LYS 9 1HZ LYS 9 -4.421 3.888 -3.902
73 HZ2 LYS 9 2HZ LYS 9 -5.273 5.219 -3.363
74 HZ3 LYS 9 3HZ LYS 9 -5.108 4.948 -5.034
75 H CYS 10 HN CYS 10 -3.752 -2.114 -1.900
76 HA CYS 10 HA CYS 10 -1.361 -0.836 -2.863
77 HB2 CYS 10 2HB CYS 10 -1.279 -1.759 -0.613
78 HB3 CYS 10 1HB CYS 10 -1.755 -3.344 -1.210
79 H LYS 11 HN LYS 11 -2.112 -1.119 -5.039
80 HA LYS 11 HA LYS 11 -1.741 -3.806 -6.081
81 HB2 LYS 11 2HB LYS 11 -3.718 -2.496 -6.793
82 HB3 LYS 11 1HB LYS 11 -2.650 -1.287 -7.483
83 HG2 LYS 11 2HG LYS 11 -3.574 -2.758 -9.193
84 HG3 LYS 11 1HG LYS 11 -1.819 -2.913 -9.091
85 HD2 LYS 11 2HD LYS 11 -2.060 -4.955 -7.784
86 HD3 LYS 11 1HD LYS 11 -3.817 -4.784 -7.816
87 HE2 LYS 11 2HE LYS 11 -3.808 -5.033 -10.223
88 HE3 LYS 11 1HE LYS 11 -2.047 -5.118 -10.227
89 HZ1 LYS 11 1HZ LYS 11 -2.155 -7.165 -8.991
90 HZ2 LYS 11 2HZ LYS 11 -3.117 -7.284 -10.366
91 HZ3 LYS 11 3HZ LYS 11 -3.835 -7.042 -8.864
92 H ASP 12 HN ASP 12 -0.166 -0.774 -5.817
93 HA ASP 12 HA ASP 12 1.698 -1.478 -7.937
94 HB2 ASP 12 2HB ASP 12 0.726 0.821 -7.935
95 HB3 ASP 12 1HB ASP 12 1.524 1.119 -6.394
96 H ARG 13 HN ARG 13 3.882 -1.647 -7.579
97 HA ARG 13 HA ARG 13 4.720 -2.873 -5.225
98 HB2 ARG 13 2HB ARG 13 6.277 -1.696 -7.507
99 HB3 ARG 13 1HB ARG 13 7.027 -2.598 -6.193
100 HG2 ARG 13 2HG ARG 13 5.669 -4.544 -6.780
101 HG3 ARG 13 1HG ARG 13 4.949 -3.639 -8.108
102 HD2 ARG 13 2HD ARG 13 7.040 -3.496 -9.248
103 HD3 ARG 13 1HD ARG 13 7.918 -4.117 -7.853
104 HE ARG 13 HE ARG 13 5.994 -5.993 -8.640
105 HH11 ARG 13 1HH1 ARG 13 9.049 -4.676 -9.894
106 HH12 ARG 13 2HH1 ARG 13 9.482 -6.136 -10.662
107 HH21 ARG 13 1HH2 ARG 13 6.677 -7.976 -9.662
108 HH22 ARG 13 2HH2 ARG 13 8.137 -8.005 -10.549
109 H ARG 14 HN ARG 14 4.664 0.501 -6.053
110 HA ARG 14 HA ARG 14 6.593 1.302 -4.135
111 HB2 ARG 14 2HB ARG 14 4.442 2.793 -5.614
112 HB3 ARG 14 1HB ARG 14 5.523 3.586 -4.471
113 HG2 ARG 14 2HG ARG 14 7.419 3.150 -5.799
114 HG3 ARG 14 1HG ARG 14 6.553 1.970 -6.779
115 HD2 ARG 14 2HD ARG 14 5.844 4.887 -6.681
116 HD3 ARG 14 1HD ARG 14 6.949 4.197 -7.875
117 HE ARG 14 HE ARG 14 4.537 2.747 -7.787
118 HH11 ARG 14 1HH1 ARG 14 5.710 5.913 -8.865
119 HH12 ARG 14 2HH1 ARG 14 4.688 6.006 -10.219
120 HH21 ARG 14 1HH2 ARG 14 3.153 2.850 -9.655
121 HH22 ARG 14 2HH2 ARG 14 3.175 4.198 -10.697
122 H CYS 15 HN CYS 15 3.476 0.143 -3.812
123 HA CYS 15 HA CYS 15 3.010 1.419 -1.227
124 HB2 CYS 15 2HB CYS 15 1.353 -0.551 -2.803
125 HB3 CYS 15 1HB CYS 15 0.878 0.205 -1.290
126 H LYS 16 HN LYS 16 4.825 -1.058 -2.324
127 HA LYS 16 HA LYS 16 3.938 -3.143 -0.562
128 HB2 LYS 16 2HB LYS 16 4.950 -3.608 -2.807
129 HB3 LYS 16 1HB LYS 16 6.487 -3.058 -2.176
130 HG2 LYS 16 2HG LYS 16 6.398 -5.483 -2.185
131 HG3 LYS 16 1HG LYS 16 6.481 -4.875 -0.534
132 HD2 LYS 16 2HD LYS 16 4.877 -6.717 -0.721
133 HD3 LYS 16 1HD LYS 16 4.059 -5.224 -0.272
134 HE2 LYS 16 2HE LYS 16 3.361 -4.910 -2.598
135 HE3 LYS 16 1HE LYS 16 4.218 -6.379 -3.059
136 HZ1 LYS 16 1HZ LYS 16 2.677 -7.632 -1.613
137 HZ2 LYS 16 2HZ LYS 16 1.892 -6.799 -2.829
138 HZ3 LYS 16 3HZ LYS 16 1.841 -6.200 -1.261
139 HA HYP 17 HA HYP 17 7.994 -1.663 1.934
140 HB2 HYP 17 1HB HYP 17 8.943 0.206 0.909
141 HB3 HYP 17 2HB HYP 17 8.026 1.067 2.163
142 HG HYP 17 HG HYP 17 6.157 1.324 0.722
143 HD22 HYP 17 1HD1 HYP 17 7.725 -0.563 -1.070
144 HD23 HYP 17 2HD1 HYP 17 6.017 -0.078 -1.261
145 HD1 HYP 17 2HD HYP 17 6.947 1.934 -1.237
146 H LEU 18 HN LEU 18 4.781 -0.796 1.765
147 HA LEU 18 HA LEU 18 4.552 0.327 4.436
148 HB2 LEU 18 2HB LEU 18 2.430 -0.283 2.383
149 HB3 LEU 18 1HB LEU 18 2.263 0.731 3.799
150 HG LEU 18 HG LEU 18 3.962 1.380 1.369
151 HD11 LEU 18 1HD1 LEU 18 1.342 2.516 2.326
152 HD12 LEU 18 2HD1 LEU 18 1.591 1.508 0.898
153 HD13 LEU 18 3HD1 LEU 18 2.300 3.121 0.974
154 HD21 LEU 18 1HD2 LEU 18 3.321 2.994 3.830
155 HD22 LEU 18 2HD2 LEU 18 4.182 3.578 2.410
156 HD23 LEU 18 3HD2 LEU 18 4.903 2.317 3.421
157 H LYS 19 HN LYS 19 4.165 -1.049 6.106
158 HA LYS 19 HA LYS 19 3.843 -3.832 5.623
159 HB2 LYS 19 2HB LYS 19 5.131 -2.877 7.560
160 HB3 LYS 19 1HB LYS 19 3.612 -2.371 8.272
161 HG2 LYS 19 2HG LYS 19 4.419 -4.415 9.324
162 HG3 LYS 19 1HG LYS 19 2.913 -4.719 8.459
163 HD2 LYS 19 2HD LYS 19 4.183 -5.667 6.578
164 HD3 LYS 19 1HD LYS 19 5.690 -5.345 7.430
165 HE2 LYS 19 2HE LYS 19 3.492 -7.168 8.410
166 HE3 LYS 19 1HE LYS 19 4.948 -7.704 7.582
167 HZ1 LYS 19 1HZ LYS 19 5.177 -7.951 9.951
168 HZ2 LYS 19 2HZ LYS 19 4.854 -6.326 10.224
169 HZ3 LYS 19 3HZ LYS 19 6.259 -6.788 9.413
170 H CYS 20 HN CYS 20 1.633 -1.372 5.602
171 HA CYS 20 HA CYS 20 -0.636 -2.741 6.634
172 HB2 CYS 20 2HB CYS 20 -1.981 -1.081 5.423
173 HB3 CYS 20 1HB CYS 20 -0.650 -0.272 6.246
174 H CYS 21 HN CYS 21 1.209 -2.800 3.734
175 HA CYS 21 HA CYS 21 -0.717 -4.456 2.322
176 HB2 CYS 21 2HB CYS 21 0.292 -2.540 1.131
177 HB3 CYS 21 1HB CYS 21 1.892 -3.170 1.474
178 H ALA 22 HN ALA 22 -0.443 -6.330 3.560
179 HA ALA 22 HA ALA 22 2.131 -7.642 3.162
180 HB1 ALA 22 2HB ALA 22 0.709 -7.543 5.834
181 HB2 ALA 22 3HB ALA 22 2.198 -6.696 5.425
182 HB3 ALA 22 1HB ALA 22 2.177 -8.457 5.473
183 HN1 NH2 23 2H ALA 22 -0.941 -10.092 4.124
184 HN2 NH2 23 1H ALA 22 -0.347 -8.916 5.235
Start of MODEL 2
1 H1 ARG 1 1HT ARG 1 -0.272 8.574 -4.290
2 H2 ARG 1 2HT ARG 1 0.553 7.938 -2.953
3 H3 ARG 1 3HT ARG 1 -0.822 8.854 -2.713
4 HA ARG 1 HA ARG 1 -2.171 7.194 -3.763
5 HB2 ARG 1 2HB ARG 1 -0.505 6.297 -5.331
6 HB3 ARG 1 1HB ARG 1 0.446 5.697 -3.980
7 HG2 ARG 1 2HG ARG 1 -1.319 4.159 -3.376
8 HG3 ARG 1 1HG ARG 1 -2.323 4.784 -4.681
9 HD2 ARG 1 2HD ARG 1 -0.756 3.987 -6.321
10 HD3 ARG 1 1HD ARG 1 0.358 3.470 -5.055
11 HE ARG 1 HE ARG 1 -1.376 1.913 -4.333
12 HH11 ARG 1 1HH1 ARG 1 -1.383 3.027 -7.712
13 HH12 ARG 1 2HH1 ARG 1 -2.225 1.686 -8.302
14 HH21 ARG 1 1HH2 ARG 1 -2.564 0.024 -5.167
15 HH22 ARG 1 2HH2 ARG 1 -2.939 -0.035 -6.817
16 H ASP 2 HN ASP 2 -3.305 6.571 -2.071
17 HA ASP 2 HA ASP 2 -1.966 5.784 0.375
18 HB2 ASP 2 2HB ASP 2 -3.991 7.220 0.501
19 HB3 ASP 2 1HB ASP 2 -4.907 5.944 -0.298
20 H CYS 3 HN CYS 3 -1.615 3.765 0.868
21 HA CYS 3 HA CYS 3 -2.989 1.684 -0.664
22 HB2 CYS 3 2HB CYS 3 -0.173 1.723 0.313
23 HB3 CYS 3 1HB CYS 3 -0.943 0.324 -0.439
24 H CYS 4 HN CYS 4 -2.902 2.979 2.320
25 HA CYS 4 HA CYS 4 -3.043 0.333 3.609
26 HB2 CYS 4 2HB CYS 4 -2.489 3.012 4.895
27 HB3 CYS 4 1HB CYS 4 -2.664 1.499 5.772
28 H THR 5 HN THR 5 -4.967 3.145 2.909
29 HA THR 5 HA THR 5 -6.877 2.485 4.898
30 HB THR 5 HB THR 5 -7.153 4.320 2.500
31 HG1 THR 5 1HG THR 5 -5.673 5.366 3.603
32 HG21 THR 5 1HG2 THR 5 -9.263 3.647 3.518
33 HG22 THR 5 2HG2 THR 5 -8.945 5.354 3.887
34 HG23 THR 5 3HG2 THR 5 -8.659 4.093 5.102
35 HA HYP 6 HA HYP 6 -8.601 -0.595 2.175
36 HB2 HYP 6 1HB HYP 6 -9.440 -2.125 3.701
37 HB3 HYP 6 2HB HYP 6 -10.638 -0.957 4.281
38 HG HYP 6 HG HYP 6 -9.008 -1.163 6.083
39 HD22 HYP 6 1HD1 HYP 6 -7.883 1.119 5.684
40 HD23 HYP 6 2HD1 HYP 6 -9.647 1.133 5.383
41 HD1 HYP 6 2HD HYP 6 -6.959 -0.276 4.730
42 HA HYP 7 HA HYP 7 -9.917 -1.915 1.103
43 HB2 HYP 7 1HB HYP 7 -11.252 -2.729 -0.554
44 HB3 HYP 7 2HB HYP 7 -11.028 -1.292 -1.564
45 HG HYP 7 HG HYP 7 -13.277 -1.083 -0.800
46 HD22 HYP 7 1HD1 HYP 7 -12.863 0.573 1.239
47 HD23 HYP 7 2HD1 HYP 7 -12.097 0.958 -0.319
48 HD1 HYP 7 2HD HYP 7 -13.231 -1.227 1.725
49 H LYS 8 HN LYS 8 -7.868 -1.741 0.977
50 HA LYS 8 HA LYS 8 -6.526 0.150 -0.737
51 HB2 LYS 8 2HB LYS 8 -4.484 -0.867 0.401
52 HB3 LYS 8 1HB LYS 8 -5.600 0.032 1.422
53 HG2 LYS 8 2HG LYS 8 -6.526 -1.876 2.287
54 HG3 LYS 8 1HG LYS 8 -5.718 -2.954 1.128
55 HD2 LYS 8 2HD LYS 8 -3.585 -2.214 2.272
56 HD3 LYS 8 1HD LYS 8 -4.594 -1.323 3.417
57 HE2 LYS 8 2HE LYS 8 -4.577 -4.297 2.941
58 HE3 LYS 8 1HE LYS 8 -4.011 -3.451 4.379
59 HZ1 LYS 8 1HZ LYS 8 -6.141 -4.342 4.821
60 HZ2 LYS 8 2HZ LYS 8 -6.794 -3.756 3.420
61 HZ3 LYS 8 3HZ LYS 8 -6.400 -2.678 4.662
62 H LYS 9 HN LYS 9 -5.066 -0.438 -2.334
63 HA LYS 9 HA LYS 9 -5.597 -3.099 -3.446
64 HB2 LYS 9 2HB LYS 9 -5.157 -0.486 -4.902
65 HB3 LYS 9 1HB LYS 9 -5.552 -2.038 -5.636
66 HG2 LYS 9 2HG LYS 9 -7.714 -2.055 -4.670
67 HG3 LYS 9 1HG LYS 9 -7.329 -0.692 -3.626
68 HD2 LYS 9 2HD LYS 9 -7.133 0.727 -5.643
69 HD3 LYS 9 1HD LYS 9 -7.637 -0.656 -6.623
70 HE2 LYS 9 2HE LYS 9 -9.546 0.792 -6.139
71 HE3 LYS 9 1HE LYS 9 -9.727 -0.787 -5.377
72 HZ1 LYS 9 1HZ LYS 9 -8.852 1.710 -4.008
73 HZ2 LYS 9 2HZ LYS 9 -9.021 0.232 -3.238
74 HZ3 LYS 9 3HZ LYS 9 -10.363 1.008 -3.868
75 H CYS 10 HN CYS 10 -3.776 -4.202 -2.979
76 HA CYS 10 HA CYS 10 -1.199 -2.959 -3.117
77 HB2 CYS 10 2HB CYS 10 -2.077 -5.775 -2.528
78 HB3 CYS 10 1HB CYS 10 -0.394 -5.339 -2.722
79 H LYS 11 HN LYS 11 -0.886 -2.336 -5.151
80 HA LYS 11 HA LYS 11 -0.185 -4.514 -6.923
81 HB2 LYS 11 2HB LYS 11 -2.402 -3.862 -7.670
82 HB3 LYS 11 1HB LYS 11 -1.888 -2.183 -7.798
83 HG2 LYS 11 2HG LYS 11 -0.415 -2.691 -9.582
84 HG3 LYS 11 1HG LYS 11 -0.656 -4.420 -9.372
85 HD2 LYS 11 2HD LYS 11 -3.008 -4.160 -10.004
86 HD3 LYS 11 1HD LYS 11 -2.751 -2.425 -10.216
87 HE2 LYS 11 2HE LYS 11 -2.685 -3.659 -12.345
88 HE3 LYS 11 1HE LYS 11 -1.172 -2.833 -11.987
89 HZ1 LYS 11 1HZ LYS 11 -0.216 -4.922 -11.288
90 HZ2 LYS 11 2HZ LYS 11 -0.860 -5.086 -12.847
91 HZ3 LYS 11 3HZ LYS 11 -1.677 -5.731 -11.528
92 H ASP 12 HN ASP 12 -0.143 -0.975 -6.603
93 HA ASP 12 HA ASP 12 2.166 -0.726 -8.236
94 HB2 ASP 12 2HB ASP 12 0.509 1.097 -7.959
95 HB3 ASP 12 1HB ASP 12 1.013 1.273 -6.285
96 H ARG 13 HN ARG 13 4.224 -0.084 -7.627
97 HA ARG 13 HA ARG 13 5.513 -1.530 -5.654
98 HB2 ARG 13 2HB ARG 13 6.431 1.092 -6.808
99 HB3 ARG 13 1HB ARG 13 7.430 -0.108 -6.013
100 HG2 ARG 13 2HG ARG 13 7.008 -1.683 -7.800
101 HG3 ARG 13 1HG ARG 13 5.952 -0.518 -8.602
102 HD2 ARG 13 2HD ARG 13 8.881 -0.188 -8.025
103 HD3 ARG 13 1HD ARG 13 8.168 -0.503 -9.610
104 HE ARG 13 HE ARG 13 6.948 1.765 -8.862
105 HH11 ARG 13 1HH1 ARG 13 10.344 0.851 -8.908
106 HH12 ARG 13 2HH1 ARG 13 10.944 2.424 -9.131
107 HH21 ARG 13 1HH2 ARG 13 7.708 3.918 -9.210
108 HH22 ARG 13 2HH2 ARG 13 9.388 4.229 -9.320
109 H ARG 14 HN ARG 14 4.073 1.686 -5.463
110 HA ARG 14 HA ARG 14 5.410 2.491 -3.108
111 HB2 ARG 14 2HB ARG 14 2.768 3.465 -4.182
112 HB3 ARG 14 1HB ARG 14 3.719 4.249 -2.932
113 HG2 ARG 14 2HG ARG 14 4.483 3.862 -5.803
114 HG3 ARG 14 1HG ARG 14 4.051 5.376 -5.011
115 HD2 ARG 14 2HD ARG 14 6.022 5.185 -3.577
116 HD3 ARG 14 1HD ARG 14 6.435 3.655 -4.354
117 HE ARG 14 HE ARG 14 6.138 5.923 -6.092
118 HH11 ARG 14 1HH1 ARG 14 8.357 3.815 -4.320
119 HH12 ARG 14 2HH1 ARG 14 9.737 4.315 -5.158
120 HH21 ARG 14 1HH2 ARG 14 8.028 6.640 -7.226
121 HH22 ARG 14 2HH2 ARG 14 9.555 5.994 -6.857
122 H CYS 15 HN CYS 15 2.875 0.262 -3.522
123 HA CYS 15 HA CYS 15 1.931 0.656 -0.806
124 HB2 CYS 15 2HB CYS 15 1.234 -1.606 -2.656
125 HB3 CYS 15 1HB CYS 15 0.381 -1.031 -1.222
126 H LYS 16 HN LYS 16 4.455 -0.948 -2.358
127 HA LYS 16 HA LYS 16 4.278 -3.397 -0.912
128 HB2 LYS 16 2HB LYS 16 6.372 -2.345 -2.794
129 HB3 LYS 16 1HB LYS 16 6.530 -3.894 -1.976
130 HG2 LYS 16 2HG LYS 16 4.446 -4.659 -3.011
131 HG3 LYS 16 1HG LYS 16 4.274 -3.102 -3.809
132 HD2 LYS 16 2HD LYS 16 6.239 -3.487 -5.133
133 HD3 LYS 16 1HD LYS 16 6.631 -4.935 -4.209
134 HE2 LYS 16 2HE LYS 16 5.613 -5.458 -6.406
135 HE3 LYS 16 1HE LYS 16 4.675 -6.066 -5.046
136 HZ1 LYS 16 1HZ LYS 16 3.155 -4.194 -5.305
137 HZ2 LYS 16 2HZ LYS 16 3.267 -5.047 -6.747
138 HZ3 LYS 16 3HZ LYS 16 4.064 -3.599 -6.598
139 HA HYP 17 HA HYP 17 7.938 -1.567 1.722
140 HB2 HYP 17 1HB HYP 17 8.763 0.385 0.723
141 HB3 HYP 17 2HB HYP 17 7.887 1.124 2.078
142 HG HYP 17 HG HYP 17 5.957 1.478 0.755
143 HD22 HYP 17 1HD1 HYP 17 7.329 -0.232 -1.328
144 HD23 HYP 17 2HD1 HYP 17 5.594 0.131 -1.185
145 HD1 HYP 17 2HD HYP 17 6.722 1.996 -1.306
146 H LEU 18 HN LEU 18 4.683 -1.210 1.694
147 HA LEU 18 HA LEU 18 4.487 -0.015 4.347
148 HB2 LEU 18 2HB LEU 18 2.341 -0.507 2.306
149 HB3 LEU 18 1HB LEU 18 2.182 0.404 3.791
150 HG LEU 18 HG LEU 18 3.863 1.222 1.399
151 HD11 LEU 18 1HD1 LEU 18 2.196 2.957 1.125
152 HD12 LEU 18 2HD1 LEU 18 1.284 2.299 2.491
153 HD13 LEU 18 3HD1 LEU 18 1.507 1.335 1.027
154 HD21 LEU 18 1HD2 LEU 18 4.824 1.991 3.495
155 HD22 LEU 18 2HD2 LEU 18 3.251 2.665 3.962
156 HD23 LEU 18 3HD2 LEU 18 4.118 3.318 2.563
157 H LYS 19 HN LYS 19 4.017 -1.305 5.998
158 HA LYS 19 HA LYS 19 3.698 -4.096 5.646
159 HB2 LYS 19 2HB LYS 19 3.516 -2.380 8.099
160 HB3 LYS 19 1HB LYS 19 3.266 -4.118 8.142
161 HG2 LYS 19 2HG LYS 19 5.768 -2.730 7.212
162 HG3 LYS 19 1HG LYS 19 5.530 -3.505 8.782
163 HD2 LYS 19 2HD LYS 19 5.090 -5.656 7.568
164 HD3 LYS 19 1HD LYS 19 5.523 -4.837 6.070
165 HE2 LYS 19 2HE LYS 19 7.395 -6.102 6.957
166 HE3 LYS 19 1HE LYS 19 7.743 -4.375 6.933
167 HZ1 LYS 19 1HZ LYS 19 8.470 -5.387 8.997
168 HZ2 LYS 19 2HZ LYS 19 6.915 -5.960 9.294
169 HZ3 LYS 19 3HZ LYS 19 7.212 -4.309 9.316
170 H CYS 20 HN CYS 20 1.413 -1.622 5.647
171 HA CYS 20 HA CYS 20 -0.834 -3.106 6.555
172 HB2 CYS 20 2HB CYS 20 -2.143 -1.358 5.362
173 HB3 CYS 20 1HB CYS 20 -0.904 -0.662 6.405
174 H CYS 21 HN CYS 21 1.108 -3.217 3.757
175 HA CYS 21 HA CYS 21 -0.938 -4.423 2.096
176 HB2 CYS 21 2HB CYS 21 0.608 -2.668 1.214
177 HB3 CYS 21 1HB CYS 21 1.950 -3.750 1.525
178 H ALA 22 HN ALA 22 0.857 -5.503 4.552
179 HA ALA 22 HA ALA 22 1.699 -7.970 3.242
180 HB1 ALA 22 2HB ALA 22 3.373 -6.896 4.686
181 HB2 ALA 22 3HB ALA 22 2.897 -8.464 5.339
182 HB3 ALA 22 1HB ALA 22 2.260 -6.982 6.051
183 HN1 NH2 23 2H ALA 22 -0.780 -8.686 6.395
184 HN2 NH2 23 1H ALA 22 0.551 -7.603 6.551
Start of MODEL 3
1 H1 ARG 1 1HT ARG 1 0.145 10.478 2.445
2 H2 ARG 1 2HT ARG 1 1.113 9.079 2.324
3 H3 ARG 1 3HT ARG 1 0.147 9.323 3.670
4 HA ARG 1 HA ARG 1 -1.820 9.074 2.443
5 HB2 ARG 1 2HB ARG 1 -1.017 10.051 0.311
6 HB3 ARG 1 1HB ARG 1 0.006 8.637 0.077
7 HG2 ARG 1 2HG ARG 1 -1.957 7.210 -0.033
8 HG3 ARG 1 1HG ARG 1 -2.993 8.612 0.221
9 HD2 ARG 1 2HD ARG 1 -2.256 9.579 -1.859
10 HD3 ARG 1 1HD ARG 1 -1.103 8.262 -2.092
11 HE ARG 1 HE ARG 1 -3.792 7.372 -1.760
12 HH11 ARG 1 1HH1 ARG 1 -1.486 8.592 -4.123
13 HH12 ARG 1 2HH1 ARG 1 -2.210 7.803 -5.454
14 HH21 ARG 1 1HH2 ARG 1 -4.781 6.270 -3.575
15 HH22 ARG 1 2HH2 ARG 1 -4.114 6.439 -5.125
16 H ASP 2 HN ASP 2 -2.540 7.202 3.109
17 HA ASP 2 HA ASP 2 -0.802 4.857 3.052
18 HB2 ASP 2 2HB ASP 2 -3.496 5.271 4.396
19 HB3 ASP 2 1HB ASP 2 -2.531 3.810 4.498
20 H CYS 3 HN CYS 3 -1.156 3.362 1.577
21 HA CYS 3 HA CYS 3 -3.287 3.794 -0.343
22 HB2 CYS 3 2HB CYS 3 -1.027 3.356 -1.162
23 HB3 CYS 3 1HB CYS 3 -1.016 1.811 -0.325
24 H CYS 4 HN CYS 4 -2.701 1.855 2.391
25 HA CYS 4 HA CYS 4 -4.281 -0.369 1.536
26 HB2 CYS 4 2HB CYS 4 -3.188 0.315 4.260
27 HB3 CYS 4 1HB CYS 4 -3.993 -1.199 3.850
28 H THR 5 HN THR 5 -5.311 2.595 2.158
29 HA THR 5 HA THR 5 -7.541 1.864 3.777
30 HB THR 5 HB THR 5 -7.178 4.398 2.145
31 HG1 THR 5 1HG THR 5 -5.890 3.454 4.348
32 HG21 THR 5 1HG2 THR 5 -8.812 3.723 4.588
33 HG22 THR 5 2HG2 THR 5 -9.442 3.889 2.962
34 HG23 THR 5 3HG2 THR 5 -8.773 5.310 3.797
35 HA HYP 6 HA HYP 6 -9.294 -0.004 0.070
36 HB2 HYP 6 1HB HYP 6 -10.592 -1.585 1.096
37 HB3 HYP 6 2HB HYP 6 -11.758 -0.347 1.588
38 HG HYP 6 HG HYP 6 -10.817 -1.040 3.694
39 HD22 HYP 6 1HD1 HYP 6 -9.056 0.817 4.024
40 HD23 HYP 6 2HD1 HYP 6 -10.596 1.385 3.314
41 HD1 HYP 6 2HD HYP 6 -8.294 -0.703 3.202
42 HA HYP 7 HA HYP 7 -10.524 -0.456 -1.850
43 HB2 HYP 7 1HB HYP 7 -11.391 0.116 -3.893
44 HB3 HYP 7 2HB HYP 7 -10.204 1.414 -4.061
45 HG HYP 7 HG HYP 7 -12.266 2.625 -3.870
46 HD22 HYP 7 1HD1 HYP 7 -12.251 3.170 -1.299
47 HD23 HYP 7 2HD1 HYP 7 -10.682 3.358 -2.129
48 HD1 HYP 7 2HD HYP 7 -13.037 1.232 -1.668
49 H LYS 8 HN LYS 8 -8.588 -1.199 -1.954
50 HA LYS 8 HA LYS 8 -6.335 0.677 -1.987
51 HB2 LYS 8 2HB LYS 8 -5.189 -1.109 -0.598
52 HB3 LYS 8 1HB LYS 8 -6.431 -0.157 0.204
53 HG2 LYS 8 2HG LYS 8 -7.978 -1.888 0.081
54 HG3 LYS 8 1HG LYS 8 -6.983 -2.843 -1.009
55 HD2 LYS 8 2HD LYS 8 -5.320 -3.074 0.843
56 HD3 LYS 8 1HD LYS 8 -6.381 -2.122 1.881
57 HE2 LYS 8 2HE LYS 8 -7.057 -4.793 0.642
58 HE3 LYS 8 1HE LYS 8 -6.600 -4.531 2.322
59 HZ1 LYS 8 1HZ LYS 8 -9.031 -3.495 0.974
60 HZ2 LYS 8 2HZ LYS 8 -8.593 -3.107 2.540
61 HZ3 LYS 8 3HZ LYS 8 -8.978 -4.693 2.147
62 H LYS 9 HN LYS 9 -4.325 -0.246 -2.832
63 HA LYS 9 HA LYS 9 -4.794 -2.515 -4.605
64 HB2 LYS 9 2HB LYS 9 -2.885 -0.217 -5.076
65 HB3 LYS 9 1HB LYS 9 -3.021 -1.643 -6.079
66 HG2 LYS 9 2HG LYS 9 -5.400 -0.931 -6.559
67 HG3 LYS 9 1HG LYS 9 -5.018 0.588 -5.740
68 HD2 LYS 9 2HD LYS 9 -4.667 0.958 -8.076
69 HD3 LYS 9 1HD LYS 9 -3.069 0.834 -7.335
70 HE2 LYS 9 2HE LYS 9 -3.083 -1.614 -8.009
71 HE3 LYS 9 1HE LYS 9 -4.541 -1.270 -8.919
72 HZ1 LYS 9 1HZ LYS 9 -1.811 -0.235 -9.379
73 HZ2 LYS 9 2HZ LYS 9 -3.166 0.450 -10.120
74 HZ3 LYS 9 3HZ LYS 9 -2.762 -1.157 -10.420
75 H CYS 10 HN CYS 10 -4.129 -3.875 -2.917
76 HA CYS 10 HA CYS 10 -1.590 -3.413 -1.658
77 HB2 CYS 10 2HB CYS 10 -3.565 -4.301 -0.442
78 HB3 CYS 10 1HB CYS 10 -3.462 -5.766 -1.401
79 H LYS 11 HN LYS 11 -2.663 -4.967 -4.468
80 HA LYS 11 HA LYS 11 -0.460 -6.865 -4.529
81 HB2 LYS 11 2HB LYS 11 -2.434 -6.235 -6.737
82 HB3 LYS 11 1HB LYS 11 -1.332 -7.592 -6.672
83 HG2 LYS 11 2HG LYS 11 -2.554 -8.468 -4.714
84 HG3 LYS 11 1HG LYS 11 -3.703 -7.138 -4.873
85 HD2 LYS 11 2HD LYS 11 -3.149 -9.273 -6.945
86 HD3 LYS 11 1HD LYS 11 -4.562 -9.196 -5.899
87 HE2 LYS 11 2HE LYS 11 -3.805 -7.155 -8.006
88 HE3 LYS 11 1HE LYS 11 -5.044 -8.388 -8.166
89 HZ1 LYS 11 1HZ LYS 11 -5.968 -6.221 -7.594
90 HZ2 LYS 11 2HZ LYS 11 -5.095 -6.189 -6.159
91 HZ3 LYS 11 3HZ LYS 11 -6.290 -7.341 -6.385
92 H ASP 12 HN ASP 12 -1.019 -3.654 -5.261
93 HA ASP 12 HA ASP 12 0.791 -3.528 -7.523
94 HB2 ASP 12 2HB ASP 12 -1.256 -2.066 -7.317
95 HB3 ASP 12 1HB ASP 12 -0.453 -1.231 -5.993
96 H ARG 13 HN ARG 13 2.819 -2.911 -7.414
97 HA ARG 13 HA ARG 13 4.296 -3.321 -5.082
98 HB2 ARG 13 2HB ARG 13 5.063 -2.119 -7.729
99 HB3 ARG 13 1HB ARG 13 6.200 -2.227 -6.405
100 HG2 ARG 13 2HG ARG 13 6.477 -4.038 -8.038
101 HG3 ARG 13 1HG ARG 13 6.080 -4.645 -6.437
102 HD2 ARG 13 2HD ARG 13 4.918 -5.823 -8.280
103 HD3 ARG 13 1HD ARG 13 3.814 -5.091 -7.118
104 HE ARG 13 HE ARG 13 4.178 -3.243 -9.137
105 HH11 ARG 13 1HH1 ARG 13 2.940 -6.557 -8.977
106 HH12 ARG 13 2HH1 ARG 13 1.760 -6.329 -10.183
107 HH21 ARG 13 1HH2 ARG 13 2.557 -2.912 -10.753
108 HH22 ARG 13 2HH2 ARG 13 1.530 -4.186 -11.211
109 H ARG 14 HN ARG 14 2.926 -0.370 -6.348
110 HA ARG 14 HA ARG 14 4.691 1.391 -4.981
111 HB2 ARG 14 2HB ARG 14 3.320 3.145 -5.703
112 HB3 ARG 14 1HB ARG 14 3.067 1.921 -6.936
113 HG2 ARG 14 2HG ARG 14 1.004 1.240 -5.644
114 HG3 ARG 14 1HG ARG 14 1.230 2.707 -4.695
115 HD2 ARG 14 2HD ARG 14 -0.315 3.234 -6.401
116 HD3 ARG 14 1HD ARG 14 1.222 3.959 -6.891
117 HE ARG 14 HE ARG 14 0.945 1.335 -7.884
118 HH11 ARG 14 1HH1 ARG 14 -0.084 4.662 -8.515
119 HH12 ARG 14 2HH1 ARG 14 -0.458 4.369 -10.150
120 HH21 ARG 14 1HH2 ARG 14 0.375 0.936 -10.025
121 HH22 ARG 14 2HH2 ARG 14 -0.172 2.194 -11.067
122 H CYS 15 HN CYS 15 2.035 -0.531 -3.956
123 HA CYS 15 HA CYS 15 1.771 1.026 -1.494
124 HB2 CYS 15 2HB CYS 15 -0.049 -1.121 -2.592
125 HB3 CYS 15 1HB CYS 15 -0.376 -0.066 -1.222
126 H LYS 16 HN LYS 16 3.679 -1.271 -2.544
127 HA LYS 16 HA LYS 16 3.234 -3.152 -0.385
128 HB2 LYS 16 2HB LYS 16 5.001 -3.332 -2.797
129 HB3 LYS 16 1HB LYS 16 5.087 -4.483 -1.474
130 HG2 LYS 16 2HG LYS 16 2.689 -5.000 -1.833
131 HG3 LYS 16 1HG LYS 16 2.713 -3.931 -3.238
132 HD2 LYS 16 2HD LYS 16 4.363 -5.318 -4.320
133 HD3 LYS 16 1HD LYS 16 4.519 -6.321 -2.883
134 HE2 LYS 16 2HE LYS 16 2.067 -6.038 -4.617
135 HE3 LYS 16 1HE LYS 16 3.149 -7.427 -4.553
136 HZ1 LYS 16 1HZ LYS 16 1.309 -6.475 -2.412
137 HZ2 LYS 16 2HZ LYS 16 2.529 -7.598 -2.142
138 HZ3 LYS 16 3HZ LYS 16 1.296 -7.960 -3.206
139 HA HYP 17 HA HYP 17 7.415 -1.382 1.032
140 HB2 HYP 17 1HB HYP 17 8.197 0.356 -0.312
141 HB3 HYP 17 2HB HYP 17 7.542 1.352 1.002
142 HG HYP 17 HG HYP 17 5.514 1.697 -0.129
143 HD22 HYP 17 1HD1 HYP 17 6.393 -0.491 -2.023
144 HD23 HYP 17 2HD1 HYP 17 4.740 0.078 -1.698
145 HD1 HYP 17 2HD HYP 17 6.078 1.722 -2.385
146 H LEU 18 HN LEU 18 4.311 -0.296 1.217
147 HA LEU 18 HA LEU 18 4.410 1.106 3.724
148 HB2 LEU 18 2HB LEU 18 2.059 0.090 2.129
149 HB3 LEU 18 1HB LEU 18 2.041 1.352 3.350
150 HG LEU 18 HG LEU 18 3.441 1.581 0.658
151 HD11 LEU 18 1HD1 LEU 18 0.989 1.543 0.508
152 HD12 LEU 18 2HD1 LEU 18 1.707 3.076 0.037
153 HD13 LEU 18 3HD1 LEU 18 0.927 2.922 1.612
154 HD21 LEU 18 1HD2 LEU 18 4.525 2.892 2.418
155 HD22 LEU 18 2HD2 LEU 18 2.973 3.625 2.828
156 HD23 LEU 18 3HD2 LEU 18 3.703 3.929 1.253
157 H LYS 19 HN LYS 19 4.048 0.155 5.647
158 HA LYS 19 HA LYS 19 4.776 -2.484 6.002
159 HB2 LYS 19 2HB LYS 19 3.252 -0.787 7.968
160 HB3 LYS 19 1HB LYS 19 4.181 -2.226 8.356
161 HG2 LYS 19 2HG LYS 19 5.275 0.377 7.289
162 HG3 LYS 19 1HG LYS 19 5.416 -0.226 8.938
163 HD2 LYS 19 2HD LYS 19 6.758 -2.099 8.134
164 HD3 LYS 19 1HD LYS 19 6.583 -1.525 6.473
165 HE2 LYS 19 2HE LYS 19 7.703 0.574 7.105
166 HE3 LYS 19 1HE LYS 19 7.901 -0.056 8.741
167 HZ1 LYS 19 1HZ LYS 19 9.082 -1.236 6.289
168 HZ2 LYS 19 2HZ LYS 19 9.255 -1.839 7.847
169 HZ3 LYS 19 3HZ LYS 19 9.910 -0.338 7.449
170 H CYS 20 HN CYS 20 1.547 -1.232 5.755
171 HA CYS 20 HA CYS 20 0.157 -3.470 6.704
172 HB2 CYS 20 2HB CYS 20 -1.749 -2.441 5.382
173 HB3 CYS 20 1HB CYS 20 -0.969 -1.414 6.589
174 H CYS 21 HN CYS 21 1.810 -3.002 3.702
175 HA CYS 21 HA CYS 21 0.821 -5.591 2.806
176 HB2 CYS 21 2HB CYS 21 0.988 -3.086 1.130
177 HB3 CYS 21 1HB CYS 21 0.927 -4.697 0.425
178 H ALA 22 HN ALA 22 3.262 -4.458 4.114
179 HA ALA 22 HA ALA 22 5.280 -5.125 2.110
180 HB1 ALA 22 2HB ALA 22 6.903 -4.165 3.669
181 HB2 ALA 22 3HB ALA 22 5.621 -3.916 4.854
182 HB3 ALA 22 1HB ALA 22 5.606 -3.017 3.337
183 HN1 NH2 23 2H ALA 22 5.736 -8.285 3.372
184 HN2 NH2 23 1H ALA 22 5.602 -7.197 2.029
Start of MODEL 4
1 H1 ARG 1 1HT ARG 1 1.438 7.870 3.479
2 H2 ARG 1 2HT ARG 1 2.346 8.381 2.153
3 H3 ARG 1 3HT ARG 1 2.281 6.753 2.577
4 HA ARG 1 HA ARG 1 -0.030 8.293 1.644
5 HB2 ARG 1 2HB ARG 1 1.535 7.939 -0.178
6 HB3 ARG 1 1HB ARG 1 1.735 6.255 0.276
7 HG2 ARG 1 2HG ARG 1 -0.597 5.817 -0.285
8 HG3 ARG 1 1HG ARG 1 -0.801 7.505 -0.733
9 HD2 ARG 1 2HD ARG 1 1.163 5.629 -2.039
10 HD3 ARG 1 1HD ARG 1 -0.459 5.935 -2.648
11 HE ARG 1 HE ARG 1 1.075 8.323 -2.279
12 HH11 ARG 1 1HH1 ARG 1 0.424 5.656 -4.490
13 HH12 ARG 1 2HH1 ARG 1 0.845 6.508 -5.895
14 HH21 ARG 1 1HH2 ARG 1 1.665 9.528 -4.239
15 HH22 ARG 1 2HH2 ARG 1 1.594 8.745 -5.745
16 H ASP 2 HN ASP 2 -1.926 7.297 2.142
17 HA ASP 2 HA ASP 2 -1.765 4.712 3.407
18 HB2 ASP 2 2HB ASP 2 -4.159 4.900 3.847
19 HB3 ASP 2 1HB ASP 2 -3.382 6.402 4.310
20 H CYS 3 HN CYS 3 -2.111 2.888 2.450
21 HA CYS 3 HA CYS 3 -3.261 2.964 -0.247
22 HB2 CYS 3 2HB CYS 3 -0.828 2.462 -0.164
23 HB3 CYS 3 1HB CYS 3 -1.199 1.024 0.784
24 H CYS 4 HN CYS 4 -3.543 1.820 2.901
25 HA CYS 4 HA CYS 4 -4.885 -0.636 2.248
26 HB2 CYS 4 2HB CYS 4 -4.363 0.697 4.896
27 HB3 CYS 4 1HB CYS 4 -5.018 -0.927 4.679
28 H THR 5 HN THR 5 -5.899 2.457 2.100
29 HA THR 5 HA THR 5 -8.386 2.107 3.404
30 HB THR 5 HB THR 5 -7.634 4.189 1.327
31 HG1 THR 5 1HG THR 5 -6.500 5.057 2.850
32 HG21 THR 5 1HG2 THR 5 -10.040 3.967 1.779
33 HG22 THR 5 2HG2 THR 5 -9.423 5.504 2.409
34 HG23 THR 5 3HG2 THR 5 -9.729 4.141 3.499
35 HA HYP 6 HA HYP 6 -9.750 -0.584 0.103
36 HB2 HYP 6 1HB HYP 6 -11.331 -1.726 1.292
37 HB3 HYP 6 2HB HYP 6 -12.447 -0.356 1.177
38 HG HYP 6 HG HYP 6 -11.949 -0.398 3.532
39 HD22 HYP 6 1HD1 HYP 6 -10.059 1.357 3.641
40 HD23 HYP 6 2HD1 HYP 6 -11.393 1.771 2.520
41 HD1 HYP 6 2HD HYP 6 -9.293 -0.447 3.231
42 HA HYP 7 HA HYP 7 -10.607 -1.425 -1.734
43 HB2 HYP 7 1HB HYP 7 -11.290 -1.443 -3.907
44 HB3 HYP 7 2HB HYP 7 -9.813 -0.572 -4.336
45 HG HYP 7 HG HYP 7 -11.360 1.105 -4.912
46 HD22 HYP 7 1HD1 HYP 7 -11.926 2.313 -2.605
47 HD23 HYP 7 2HD1 HYP 7 -10.204 2.119 -3.026
48 HD1 HYP 7 2HD HYP 7 -12.981 0.145 -2.848
49 H LYS 8 HN LYS 8 -8.756 -2.154 -1.174
50 HA LYS 8 HA LYS 8 -6.556 -0.436 -0.676
51 HB2 LYS 8 2HB LYS 8 -6.624 -3.444 -0.594
52 HB3 LYS 8 1HB LYS 8 -5.433 -2.394 0.152
53 HG2 LYS 8 2HG LYS 8 -7.293 -1.444 1.541
54 HG3 LYS 8 1HG LYS 8 -8.315 -2.697 0.870
55 HD2 LYS 8 2HD LYS 8 -6.871 -4.441 1.687
56 HD3 LYS 8 1HD LYS 8 -5.749 -3.245 2.332
57 HE2 LYS 8 2HE LYS 8 -7.463 -2.436 3.848
58 HE3 LYS 8 1HE LYS 8 -8.609 -3.602 3.194
59 HZ1 LYS 8 1HZ LYS 8 -7.285 -5.389 4.022
60 HZ2 LYS 8 2HZ LYS 8 -7.516 -4.293 5.294
61 HZ3 LYS 8 3HZ LYS 8 -6.057 -4.350 4.501
62 H LYS 9 HN LYS 9 -4.746 -0.210 -1.749
63 HA LYS 9 HA LYS 9 -4.703 -1.359 -4.434
64 HB2 LYS 9 2HB LYS 9 -3.617 1.207 -3.293
65 HB3 LYS 9 1HB LYS 9 -3.220 0.634 -4.909
66 HG2 LYS 9 2HG LYS 9 -5.406 0.880 -5.682
67 HG3 LYS 9 1HG LYS 9 -6.075 0.939 -4.053
68 HD2 LYS 9 2HD LYS 9 -4.228 3.060 -5.117
69 HD3 LYS 9 1HD LYS 9 -5.974 3.130 -5.353
70 HE2 LYS 9 2HE LYS 9 -4.596 2.944 -2.663
71 HE3 LYS 9 1HE LYS 9 -5.199 4.428 -3.385
72 HZ1 LYS 9 1HZ LYS 9 -6.936 2.081 -2.663
73 HZ2 LYS 9 2HZ LYS 9 -7.443 3.549 -3.295
74 HZ3 LYS 9 3HZ LYS 9 -6.764 3.508 -1.775
75 H CYS 10 HN CYS 10 -3.713 -2.483 -1.855
76 HA CYS 10 HA CYS 10 -0.882 -2.509 -1.795
77 HB2 CYS 10 2HB CYS 10 -2.860 -4.526 -0.733
78 HB3 CYS 10 1HB CYS 10 -1.162 -4.473 -0.294
79 H LYS 11 HN LYS 11 -2.866 -3.648 -4.058
80 HA LYS 11 HA LYS 11 -1.646 -6.096 -4.894
81 HB2 LYS 11 2HB LYS 11 -3.380 -4.091 -6.339
82 HB3 LYS 11 1HB LYS 11 -2.971 -5.680 -6.949
83 HG2 LYS 11 2HG LYS 11 -4.568 -5.127 -4.447
84 HG3 LYS 11 1HG LYS 11 -5.250 -5.544 -6.014
85 HD2 LYS 11 2HD LYS 11 -3.439 -7.267 -4.323
86 HD3 LYS 11 1HD LYS 11 -5.167 -7.497 -4.574
87 HE2 LYS 11 2HE LYS 11 -4.740 -7.832 -6.994
88 HE3 LYS 11 1HE LYS 11 -3.016 -7.660 -6.685
89 HZ1 LYS 11 1HZ LYS 11 -3.529 -9.947 -6.796
90 HZ2 LYS 11 2HZ LYS 11 -4.793 -9.801 -5.693
91 HZ3 LYS 11 3HZ LYS 11 -3.202 -9.594 -5.174
92 H ASP 12 HN ASP 12 -1.078 -2.702 -5.221
93 HA ASP 12 HA ASP 12 0.501 -2.940 -7.652
94 HB2 ASP 12 2HB ASP 12 -1.180 -1.050 -7.161
95 HB3 ASP 12 1HB ASP 12 -0.003 -0.468 -6.000
96 H ARG 13 HN ARG 13 2.653 -2.629 -7.694
97 HA ARG 13 HA ARG 13 4.294 -3.248 -5.520
98 HB2 ARG 13 2HB ARG 13 6.165 -2.505 -6.968
99 HB3 ARG 13 1HB ARG 13 5.066 -3.622 -7.766
100 HG2 ARG 13 2HG ARG 13 3.972 -1.709 -8.863
101 HG3 ARG 13 1HG ARG 13 5.137 -0.633 -8.102
102 HD2 ARG 13 2HD ARG 13 6.948 -1.663 -9.317
103 HD3 ARG 13 1HD ARG 13 5.851 -2.880 -9.981
104 HE ARG 13 HE ARG 13 4.760 -0.487 -10.655
105 HH11 ARG 13 1HH1 ARG 13 7.888 -1.987 -11.303
106 HH12 ARG 13 2HH1 ARG 13 8.065 -1.278 -12.847
107 HH21 ARG 13 1HH2 ARG 13 5.033 0.487 -12.784
108 HH22 ARG 13 2HH2 ARG 13 6.432 0.137 -13.682
109 H ARG 14 HN ARG 14 3.003 -0.187 -6.529
110 HA ARG 14 HA ARG 14 4.727 1.646 -5.313
111 HB2 ARG 14 2HB ARG 14 1.734 1.685 -5.647
112 HB3 ARG 14 1HB ARG 14 2.655 3.059 -5.065
113 HG2 ARG 14 2HG ARG 14 3.776 3.290 -7.129
114 HG3 ARG 14 1HG ARG 14 3.173 1.731 -7.695
115 HD2 ARG 14 2HD ARG 14 0.919 2.588 -7.743
116 HD3 ARG 14 1HD ARG 14 1.458 4.115 -7.048
117 HE ARG 14 HE ARG 14 2.785 4.415 -9.083
118 HH11 ARG 14 1HH1 ARG 14 0.112 2.079 -9.320
119 HH12 ARG 14 2HH1 ARG 14 -0.300 2.514 -10.902
120 HH21 ARG 14 1HH2 ARG 14 2.204 4.963 -11.308
121 HH22 ARG 14 2HH2 ARG 14 0.927 4.170 -12.084
122 H CYS 15 HN CYS 15 2.445 -0.557 -3.911
123 HA CYS 15 HA CYS 15 2.649 0.805 -1.340
124 HB2 CYS 15 2HB CYS 15 0.728 -1.289 -2.307
125 HB3 CYS 15 1HB CYS 15 0.673 -0.504 -0.727
126 H LYS 16 HN LYS 16 4.486 -1.243 -2.783
127 HA LYS 16 HA LYS 16 4.496 -3.451 -0.940
128 HB2 LYS 16 2HB LYS 16 5.189 -3.784 -3.259
129 HB3 LYS 16 1HB LYS 16 6.494 -2.632 -3.056
130 HG2 LYS 16 2HG LYS 16 7.600 -4.144 -1.496
131 HG3 LYS 16 1HG LYS 16 6.267 -5.296 -1.661
132 HD2 LYS 16 2HD LYS 16 6.709 -5.503 -4.026
133 HD3 LYS 16 1HD LYS 16 8.006 -4.314 -3.911
134 HE2 LYS 16 2HE LYS 16 9.243 -5.824 -2.441
135 HE3 LYS 16 1HE LYS 16 7.938 -7.008 -2.554
136 HZ1 LYS 16 1HZ LYS 16 8.333 -7.139 -4.939
137 HZ2 LYS 16 2HZ LYS 16 9.716 -7.543 -4.084
138 HZ3 LYS 16 3HZ LYS 16 9.611 -6.044 -4.826
139 HA HYP 17 HA HYP 17 8.249 -0.896 0.961
140 HB2 HYP 17 1HB HYP 17 8.879 0.846 -0.483
141 HB3 HYP 17 2HB HYP 17 8.005 1.822 0.711
142 HG HYP 17 HG HYP 17 5.983 1.667 -0.522
143 HD22 HYP 17 1HD1 HYP 17 7.523 -0.353 -2.175
144 HD23 HYP 17 2HD1 HYP 17 5.760 -0.079 -2.184
145 HD1 HYP 17 2HD HYP 17 6.464 2.042 -2.595
146 H LEU 18 HN LEU 18 4.948 -0.389 0.932
147 HA LEU 18 HA LEU 18 4.804 1.101 3.429
148 HB2 LEU 18 2HB LEU 18 2.610 0.085 1.609
149 HB3 LEU 18 1HB LEU 18 2.386 1.154 2.976
150 HG LEU 18 HG LEU 18 3.859 1.846 0.417
151 HD11 LEU 18 1HD1 LEU 18 2.000 3.359 0.022
152 HD12 LEU 18 2HD1 LEU 18 1.219 2.806 1.500
153 HD13 LEU 18 3HD1 LEU 18 1.428 1.695 0.149
154 HD21 LEU 18 1HD2 LEU 18 3.218 3.536 2.834
155 HD22 LEU 18 2HD2 LEU 18 3.930 4.117 1.329
156 HD23 LEU 18 3HD2 LEU 18 4.820 2.985 2.348
157 H LYS 19 HN LYS 19 4.866 -0.044 5.240
158 HA LYS 19 HA LYS 19 4.856 -2.870 5.108
159 HB2 LYS 19 2HB LYS 19 5.354 -2.913 7.462
160 HB3 LYS 19 1HB LYS 19 6.288 -1.642 6.698
161 HG2 LYS 19 2HG LYS 19 4.660 0.007 7.548
162 HG3 LYS 19 1HG LYS 19 3.821 -1.307 8.370
163 HD2 LYS 19 2HD LYS 19 5.951 -1.838 9.551
164 HD3 LYS 19 1HD LYS 19 6.649 -0.384 8.844
165 HE2 LYS 19 2HE LYS 19 5.915 0.149 11.064
166 HE3 LYS 19 1HE LYS 19 4.830 0.937 9.921
167 HZ1 LYS 19 1HZ LYS 19 3.232 -0.889 10.292
168 HZ2 LYS 19 2HZ LYS 19 3.595 -0.048 11.697
169 HZ3 LYS 19 3HZ LYS 19 4.294 -1.557 11.431
170 H CYS 20 HN CYS 20 2.335 -0.676 5.532
171 HA CYS 20 HA CYS 20 0.520 -2.290 6.980
172 HB2 CYS 20 2HB CYS 20 0.143 0.117 6.654
173 HB3 CYS 20 1HB CYS 20 -0.012 -0.122 4.922
174 H CYS 21 HN CYS 21 1.624 -2.287 3.679
175 HA CYS 21 HA CYS 21 -0.407 -4.241 2.894
176 HB2 CYS 21 2HB CYS 21 1.554 -2.616 1.286
177 HB3 CYS 21 1HB CYS 21 0.470 -3.790 0.574
178 H ALA 22 HN ALA 22 2.345 -4.351 4.455
179 HA ALA 22 HA ALA 22 3.499 -6.507 2.850
180 HB1 ALA 22 2HB ALA 22 5.027 -4.646 3.385
181 HB2 ALA 22 3HB ALA 22 5.555 -6.168 4.104
182 HB3 ALA 22 1HB ALA 22 4.763 -4.951 5.104
183 HN1 NH2 23 2H ALA 22 2.029 -8.713 5.096
184 HN2 NH2 23 1H ALA 22 2.058 -8.060 3.497
Start of MODEL 5
1 H1 ARG 1 1HT ARG 1 2.293 7.763 -0.183
2 H2 ARG 1 2HT ARG 1 1.253 8.948 0.394
3 H3 ARG 1 3HT ARG 1 1.937 9.091 -1.154
4 HA ARG 1 HA ARG 1 -0.365 8.390 -1.254
5 HB2 ARG 1 2HB ARG 1 1.072 7.629 -3.053
6 HB3 ARG 1 1HB ARG 1 1.702 6.331 -2.062
7 HG2 ARG 1 2HG ARG 1 0.210 5.376 -3.673
8 HG3 ARG 1 1HG ARG 1 -0.556 5.272 -2.095
9 HD2 ARG 1 2HD ARG 1 -1.161 7.384 -4.170
10 HD3 ARG 1 1HD ARG 1 -2.088 5.913 -3.955
11 HE ARG 1 HE ARG 1 -2.548 6.768 -1.647
12 HH11 ARG 1 1HH1 ARG 1 -1.830 9.021 -4.310
13 HH12 ARG 1 2HH1 ARG 1 -2.786 10.272 -3.685
14 HH21 ARG 1 1HH2 ARG 1 -3.826 8.596 -0.739
15 HH22 ARG 1 2HH2 ARG 1 -3.932 10.011 -1.655
16 H ASP 2 HN ASP 2 -1.631 7.959 0.509
17 HA ASP 2 HA ASP 2 -1.183 5.651 2.113
18 HB2 ASP 2 2HB ASP 2 -3.340 6.111 3.140
19 HB3 ASP 2 1HB ASP 2 -2.563 7.661 2.873
20 H CYS 3 HN CYS 3 -1.496 3.682 1.472
21 HA CYS 3 HA CYS 3 -3.332 3.275 -0.788
22 HB2 CYS 3 2HB CYS 3 -0.873 3.146 -1.350
23 HB3 CYS 3 1HB CYS 3 -0.796 1.709 -0.342
24 H CYS 4 HN CYS 4 -2.694 2.493 2.408
25 HA CYS 4 HA CYS 4 -3.798 -0.176 2.192
26 HB2 CYS 4 2HB CYS 4 -2.723 1.287 4.605
27 HB3 CYS 4 1HB CYS 4 -3.223 -0.401 4.555
28 H THR 5 HN THR 5 -5.003 2.887 2.455
29 HA THR 5 HA THR 5 -7.056 2.447 4.307
30 HB THR 5 HB THR 5 -7.170 4.289 1.904
31 HG1 THR 5 1HG THR 5 -5.799 5.583 2.891
32 HG21 THR 5 1HG2 THR 5 -9.219 4.006 3.214
33 HG22 THR 5 2HG2 THR 5 -8.575 5.642 3.435
34 HG23 THR 5 3HG2 THR 5 -8.343 4.406 4.682
35 HA HYP 6 HA HYP 6 -9.019 -0.597 1.677
36 HB2 HYP 6 1HB HYP 6 -10.297 -1.700 3.222
37 HB3 HYP 6 2HB HYP 6 -11.394 -0.319 3.384
38 HG HYP 6 HG HYP 6 -10.210 -0.383 5.509
39 HD22 HYP 6 1HD1 HYP 6 -8.524 1.514 5.047
40 HD23 HYP 6 2HD1 HYP 6 -10.149 1.813 4.367
41 HD1 HYP 6 2HD HYP 6 -7.787 -0.251 4.373
42 HA HYP 7 HA HYP 7 -10.350 -1.771 0.393
43 HB2 HYP 7 1HB HYP 7 -11.774 -2.134 -1.348
44 HB3 HYP 7 2HB HYP 7 -10.486 -1.532 -2.397
45 HG HYP 7 HG HYP 7 -11.997 0.163 -2.883
46 HD22 HYP 7 1HD1 HYP 7 -12.032 1.791 -0.729
47 HD23 HYP 7 2HD1 HYP 7 -10.489 1.510 -1.574
48 HD1 HYP 7 2HD HYP 7 -13.618 0.697 -1.435
49 H LYS 8 HN LYS 8 -8.467 -2.593 0.171
50 HA LYS 8 HA LYS 8 -6.427 -1.018 -1.161
51 HB2 LYS 8 2HB LYS 8 -4.824 -2.164 0.468
52 HB3 LYS 8 1HB LYS 8 -5.835 -0.865 1.091
53 HG2 LYS 8 2HG LYS 8 -7.320 -2.368 2.057
54 HG3 LYS 8 1HG LYS 8 -6.561 -3.760 1.317
55 HD2 LYS 8 2HD LYS 8 -5.234 -1.899 3.339
56 HD3 LYS 8 1HD LYS 8 -5.977 -3.429 3.777
57 HE2 LYS 8 2HE LYS 8 -3.623 -3.105 1.897
58 HE3 LYS 8 1HE LYS 8 -3.517 -3.571 3.590
59 HZ1 LYS 8 1HZ LYS 8 -4.890 -5.117 1.451
60 HZ2 LYS 8 2HZ LYS 8 -4.858 -5.546 3.057
61 HZ3 LYS 8 3HZ LYS 8 -3.431 -5.526 2.175
62 H LYS 9 HN LYS 9 -5.446 -1.913 -2.697
63 HA LYS 9 HA LYS 9 -5.229 -4.804 -2.900
64 HB2 LYS 9 2HB LYS 9 -6.100 -2.953 -5.142
65 HB3 LYS 9 1HB LYS 9 -5.610 -4.617 -5.388
66 HG2 LYS 9 2HG LYS 9 -7.482 -5.346 -3.953
67 HG3 LYS 9 1HG LYS 9 -7.976 -3.668 -3.780
68 HD2 LYS 9 2HD LYS 9 -9.393 -4.589 -5.437
69 HD3 LYS 9 1HD LYS 9 -8.219 -3.618 -6.309
70 HE2 LYS 9 2HE LYS 9 -7.993 -6.619 -5.962
71 HE3 LYS 9 1HE LYS 9 -8.790 -5.868 -7.333
72 HZ1 LYS 9 1HZ LYS 9 -5.886 -5.721 -6.645
73 HZ2 LYS 9 2HZ LYS 9 -6.623 -4.794 -7.851
74 HZ3 LYS 9 3HZ LYS 9 -6.610 -6.437 -7.982
75 H CYS 10 HN CYS 10 -3.137 -5.115 -2.795
76 HA CYS 10 HA CYS 10 -1.306 -3.019 -3.465
77 HB2 CYS 10 2HB CYS 10 -0.771 -5.828 -2.512
78 HB3 CYS 10 1HB CYS 10 0.457 -4.587 -2.729
79 H LYS 11 HN LYS 11 -2.033 -2.976 -5.677
80 HA LYS 11 HA LYS 11 -0.649 -4.940 -7.369
81 HB2 LYS 11 2HB LYS 11 -1.972 -4.077 -9.219
82 HB3 LYS 11 1HB LYS 11 -3.016 -4.517 -7.877
83 HG2 LYS 11 2HG LYS 11 -3.112 -2.099 -7.244
84 HG3 LYS 11 1HG LYS 11 -2.224 -1.731 -8.722
85 HD2 LYS 11 2HD LYS 11 -4.907 -3.113 -8.568
86 HD3 LYS 11 1HD LYS 11 -4.650 -1.426 -8.998
87 HE2 LYS 11 2HE LYS 11 -3.560 -3.785 -10.545
88 HE3 LYS 11 1HE LYS 11 -5.036 -2.927 -10.952
89 HZ1 LYS 11 1HZ LYS 11 -2.315 -1.732 -10.890
90 HZ2 LYS 11 2HZ LYS 11 -3.720 -0.921 -11.304
91 HZ3 LYS 11 3HZ LYS 11 -3.154 -2.184 -12.268
92 H ASP 12 HN ASP 12 -0.392 -1.829 -6.119
93 HA ASP 12 HA ASP 12 1.453 -0.966 -8.217
94 HB2 ASP 12 2HB ASP 12 -0.482 0.538 -7.507
95 HB3 ASP 12 1HB ASP 12 0.327 0.694 -5.951
96 H ARG 13 HN ARG 13 3.602 -0.754 -7.697
97 HA ARG 13 HA ARG 13 4.446 -2.125 -5.377
98 HB2 ARG 13 2HB ARG 13 6.703 -1.751 -6.080
99 HB3 ARG 13 1HB ARG 13 5.728 -2.205 -7.468
100 HG2 ARG 13 2HG ARG 13 5.637 0.091 -8.182
101 HG3 ARG 13 1HG ARG 13 6.570 0.597 -6.767
102 HD2 ARG 13 2HD ARG 13 8.421 -0.822 -7.535
103 HD3 ARG 13 1HD ARG 13 7.453 -1.263 -8.944
104 HE ARG 13 HE ARG 13 7.988 1.538 -8.465
105 HH11 ARG 13 1HH1 ARG 13 8.642 -1.372 -10.381
106 HH12 ARG 13 2HH1 ARG 13 9.379 -0.537 -11.666
107 HH21 ARG 13 1HH2 ARG 13 9.023 2.689 -10.207
108 HH22 ARG 13 2HH2 ARG 13 9.593 1.825 -11.560
109 H ARG 14 HN ARG 14 3.658 1.182 -5.835
110 HA ARG 14 HA ARG 14 5.404 2.224 -3.833
111 HB2 ARG 14 2HB ARG 14 2.785 3.235 -4.942
112 HB3 ARG 14 1HB ARG 14 3.728 4.117 -3.752
113 HG2 ARG 14 2HG ARG 14 5.531 4.406 -5.289
114 HG3 ARG 14 1HG ARG 14 4.785 3.300 -6.444
115 HD2 ARG 14 2HD ARG 14 3.566 5.902 -5.538
116 HD3 ARG 14 1HD ARG 14 4.468 5.688 -7.043
117 HE ARG 14 HE ARG 14 2.554 3.731 -7.015
118 HH11 ARG 14 1HH1 ARG 14 2.404 7.284 -6.900
119 HH12 ARG 14 2HH1 ARG 14 0.999 7.390 -7.846
120 HH21 ARG 14 1HH2 ARG 14 0.682 3.875 -8.277
121 HH22 ARG 14 2HH2 ARG 14 -0.056 5.376 -8.630
122 H CYS 15 HN CYS 15 2.609 0.303 -3.772
123 HA CYS 15 HA CYS 15 1.854 1.011 -1.062
124 HB2 CYS 15 2HB CYS 15 0.784 -1.172 -2.840
125 HB3 CYS 15 1HB CYS 15 0.008 -0.453 -1.430
126 H LYS 16 HN LYS 16 4.228 -0.779 -2.442
127 HA LYS 16 HA LYS 16 3.818 -3.238 -0.981
128 HB2 LYS 16 2HB LYS 16 4.592 -3.325 -3.288
129 HB3 LYS 16 1HB LYS 16 6.025 -2.408 -2.859
130 HG2 LYS 16 2HG LYS 16 6.802 -4.228 -1.475
131 HG3 LYS 16 1HG LYS 16 5.320 -5.127 -1.815
132 HD2 LYS 16 2HD LYS 16 5.887 -5.111 -4.207
133 HD3 LYS 16 1HD LYS 16 7.396 -4.285 -3.823
134 HE2 LYS 16 2HE LYS 16 7.701 -6.709 -4.097
135 HE3 LYS 16 1HE LYS 16 8.127 -6.137 -2.484
136 HZ1 LYS 16 1HZ LYS 16 6.848 -8.184 -2.426
137 HZ2 LYS 16 2HZ LYS 16 5.552 -7.461 -3.194
138 HZ3 LYS 16 3HZ LYS 16 6.046 -6.943 -1.653
139 HA HYP 17 HA HYP 17 7.768 -1.518 1.326
140 HB2 HYP 17 1HB HYP 17 8.702 0.299 0.214
141 HB3 HYP 17 2HB HYP 17 7.855 1.217 1.480
142 HG HYP 17 HG HYP 17 5.964 1.536 0.118
143 HD22 HYP 17 1HD1 HYP 17 7.268 -0.500 -1.692
144 HD23 HYP 17 2HD1 HYP 17 5.571 0.041 -1.707
145 HD1 HYP 17 2HD HYP 17 6.561 2.222 -1.691
146 H LEU 18 HN LEU 18 4.590 -0.641 1.328
147 HA LEU 18 HA LEU 18 4.502 0.633 3.914
148 HB2 LEU 18 2HB LEU 18 2.279 -0.182 2.044
149 HB3 LEU 18 1HB LEU 18 2.095 0.799 3.482
150 HG LEU 18 HG LEU 18 3.600 1.619 0.971
151 HD11 LEU 18 1HD1 LEU 18 1.005 2.620 2.138
152 HD12 LEU 18 2HD1 LEU 18 1.140 1.546 0.757
153 HD13 LEU 18 3HD1 LEU 18 1.783 3.189 0.658
154 HD21 LEU 18 1HD2 LEU 18 3.743 3.812 2.046
155 HD22 LEU 18 2HD2 LEU 18 4.607 2.587 2.972
156 HD23 LEU 18 3HD2 LEU 18 3.022 3.149 3.511
157 H LYS 19 HN LYS 19 4.504 -0.557 5.638
158 HA LYS 19 HA LYS 19 4.377 -3.377 5.595
159 HB2 LYS 19 2HB LYS 19 4.473 -3.232 8.096
160 HB3 LYS 19 1HB LYS 19 5.760 -2.404 7.238
161 HG2 LYS 19 2HG LYS 19 4.500 -0.269 7.577
162 HG3 LYS 19 1HG LYS 19 3.356 -1.167 8.563
163 HD2 LYS 19 2HD LYS 19 5.007 -0.027 9.963
164 HD3 LYS 19 1HD LYS 19 5.149 -1.774 10.115
165 HE2 LYS 19 2HE LYS 19 7.349 -0.704 9.991
166 HE3 LYS 19 1HE LYS 19 7.093 -1.765 8.619
167 HZ1 LYS 19 1HZ LYS 19 8.120 0.330 7.976
168 HZ2 LYS 19 2HZ LYS 19 6.829 1.208 8.586
169 HZ3 LYS 19 3HZ LYS 19 6.615 0.194 7.252
170 H CYS 20 HN CYS 20 1.846 -1.198 5.710
171 HA CYS 20 HA CYS 20 -0.011 -2.873 7.109
172 HB2 CYS 20 2HB CYS 20 -1.631 -1.127 6.169
173 HB3 CYS 20 1HB CYS 20 -0.409 -0.576 7.314
174 H CYS 21 HN CYS 21 1.282 -2.803 3.965
175 HA CYS 21 HA CYS 21 -0.975 -3.746 2.513
176 HB2 CYS 21 2HB CYS 21 0.786 -2.705 1.272
177 HB3 CYS 21 1HB CYS 21 1.994 -3.777 1.963
178 H ALA 22 HN ALA 22 1.677 -5.242 4.235
179 HA ALA 22 HA ALA 22 0.314 -7.806 4.000
180 HB1 ALA 22 2HB ALA 22 3.293 -7.365 3.728
181 HB2 ALA 22 3HB ALA 22 2.195 -7.790 2.416
182 HB3 ALA 22 1HB ALA 22 2.479 -8.928 3.734
183 HN1 NH2 23 2H ALA 22 0.515 -7.436 7.469
184 HN2 NH2 23 1H ALA 22 -0.480 -7.429 6.056
Start of MODEL 6
1 H1 ARG 1 1HT ARG 1 -0.557 10.364 -2.304
2 H2 ARG 1 2HT ARG 1 0.058 8.775 -2.134
3 H3 ARG 1 3HT ARG 1 0.269 9.897 -0.915
4 HA ARG 1 HA ARG 1 -1.961 9.975 -0.352
5 HB2 ARG 1 2HB ARG 1 -3.648 8.582 -1.392
6 HB3 ARG 1 1HB ARG 1 -2.918 9.550 -2.655
7 HG2 ARG 1 2HG ARG 1 -1.676 7.671 -3.439
8 HG3 ARG 1 1HG ARG 1 -2.181 6.697 -2.057
9 HD2 ARG 1 2HD ARG 1 -4.525 6.917 -2.827
10 HD3 ARG 1 1HD ARG 1 -3.943 7.791 -4.245
11 HE ARG 1 HE ARG 1 -2.531 5.444 -4.150
12 HH11 ARG 1 1HH1 ARG 1 -5.935 6.311 -4.477
13 HH12 ARG 1 2HH1 ARG 1 -6.360 4.945 -5.384
14 HH21 ARG 1 1HH2 ARG 1 -3.096 3.515 -5.380
15 HH22 ARG 1 2HH2 ARG 1 -4.689 3.338 -5.924
16 H ASP 2 HN ASP 2 -3.175 8.029 0.606
17 HA ASP 2 HA ASP 2 -1.197 6.224 1.764
18 HB2 ASP 2 2HB ASP 2 -2.600 7.514 3.283
19 HB3 ASP 2 1HB ASP 2 -4.050 6.877 2.501
20 H CYS 3 HN CYS 3 -1.142 4.204 1.069
21 HA CYS 3 HA CYS 3 -3.160 3.317 -0.864
22 HB2 CYS 3 2HB CYS 3 -0.789 2.991 -1.484
23 HB3 CYS 3 1HB CYS 3 -0.557 1.967 -0.074
24 H CYS 4 HN CYS 4 -2.522 2.977 2.400
25 HA CYS 4 HA CYS 4 -3.549 0.307 2.771
26 HB2 CYS 4 2HB CYS 4 -1.859 1.392 4.275
27 HB3 CYS 4 1HB CYS 4 -3.104 2.519 4.796
28 H THR 5 HN THR 5 -4.893 3.284 2.147
29 HA THR 5 HA THR 5 -7.142 3.286 3.723
30 HB THR 5 HB THR 5 -6.911 4.411 0.922
31 HG1 THR 5 1HG THR 5 -5.413 5.007 2.962
32 HG21 THR 5 1HG2 THR 5 -8.642 5.969 1.758
33 HG22 THR 5 2HG2 THR 5 -8.648 5.051 3.282
34 HG23 THR 5 3HG2 THR 5 -9.159 4.274 1.801
35 HA HYP 6 HA HYP 6 -9.067 -0.242 1.770
36 HB2 HYP 6 1HB HYP 6 -10.008 -1.154 3.638
37 HB3 HYP 6 2HB HYP 6 -11.269 0.090 3.627
38 HG HYP 6 HG HYP 6 -10.058 0.635 5.617
39 HD22 HYP 6 1HD1 HYP 6 -8.451 2.447 4.709
40 HD23 HYP 6 2HD1 HYP 6 -10.129 2.549 4.101
41 HD1 HYP 6 2HD HYP 6 -7.637 0.644 4.458
42 HA HYP 7 HA HYP 7 -10.479 -1.630 0.958
43 HB2 HYP 7 1HB HYP 7 -12.053 -2.602 -0.396
44 HB3 HYP 7 2HB HYP 7 -11.382 -1.767 -1.805
45 HG HYP 7 HG HYP 7 -13.500 -0.721 -1.617
46 HD22 HYP 7 1HD1 HYP 7 -12.900 1.383 -0.125
47 HD23 HYP 7 2HD1 HYP 7 -11.797 1.021 -1.478
48 HD1 HYP 7 2HD HYP 7 -13.580 -0.102 0.947
49 H LYS 8 HN LYS 8 -8.416 -1.836 0.784
50 HA LYS 8 HA LYS 8 -6.847 -0.325 -1.095
51 HB2 LYS 8 2HB LYS 8 -4.939 -1.531 0.117
52 HB3 LYS 8 1HB LYS 8 -5.900 -0.380 1.038
53 HG2 LYS 8 2HG LYS 8 -7.087 -2.030 2.083
54 HG3 LYS 8 1HG LYS 8 -6.496 -3.322 1.042
55 HD2 LYS 8 2HD LYS 8 -4.223 -2.926 2.046
56 HD3 LYS 8 1HD LYS 8 -4.946 -1.704 3.099
57 HE2 LYS 8 2HE LYS 8 -6.425 -3.405 4.051
58 HE3 LYS 8 1HE LYS 8 -5.701 -4.630 3.021
59 HZ1 LYS 8 1HZ LYS 8 -3.562 -4.209 4.176
60 HZ2 LYS 8 2HZ LYS 8 -4.770 -4.705 5.237
61 HZ3 LYS 8 3HZ LYS 8 -4.349 -3.086 5.156
62 H LYS 9 HN LYS 9 -5.710 -1.053 -2.755
63 HA LYS 9 HA LYS 9 -5.916 -3.908 -3.453
64 HB2 LYS 9 2HB LYS 9 -5.524 -1.654 -5.452
65 HB3 LYS 9 1HB LYS 9 -5.808 -3.335 -5.806
66 HG2 LYS 9 2HG LYS 9 -7.791 -2.237 -6.377
67 HG3 LYS 9 1HG LYS 9 -8.136 -2.980 -4.816
68 HD2 LYS 9 2HD LYS 9 -7.826 -0.872 -3.690
69 HD3 LYS 9 1HD LYS 9 -7.277 -0.108 -5.178
70 HE2 LYS 9 2HE LYS 9 -9.591 0.488 -4.663
71 HE3 LYS 9 1HE LYS 9 -9.473 -0.416 -6.166
72 HZ1 LYS 9 1HZ LYS 9 -10.220 -1.627 -3.562
73 HZ2 LYS 9 2HZ LYS 9 -10.281 -2.369 -5.069
74 HZ3 LYS 9 3HZ LYS 9 -11.323 -1.108 -4.713
75 H CYS 10 HN CYS 10 -3.909 -4.493 -2.570
76 HA CYS 10 HA CYS 10 -1.642 -2.852 -3.176
77 HB2 CYS 10 2HB CYS 10 -1.739 -4.046 -1.012
78 HB3 CYS 10 1HB CYS 10 -1.722 -5.584 -1.870
79 H LYS 11 HN LYS 11 -1.499 -2.809 -5.290
80 HA LYS 11 HA LYS 11 -0.801 -5.306 -6.682
81 HB2 LYS 11 2HB LYS 11 -2.998 -4.438 -7.364
82 HB3 LYS 11 1HB LYS 11 -2.286 -2.875 -7.695
83 HG2 LYS 11 2HG LYS 11 -1.001 -3.833 -9.528
84 HG3 LYS 11 1HG LYS 11 -1.685 -5.426 -9.175
85 HD2 LYS 11 2HD LYS 11 -3.925 -4.588 -9.634
86 HD3 LYS 11 1HD LYS 11 -3.283 -2.975 -9.923
87 HE2 LYS 11 2HE LYS 11 -3.741 -4.127 -12.022
88 HE3 LYS 11 1HE LYS 11 -2.023 -3.803 -11.825
89 HZ1 LYS 11 1HZ LYS 11 -2.413 -6.031 -12.666
90 HZ2 LYS 11 2HZ LYS 11 -3.358 -6.411 -11.326
91 HZ3 LYS 11 3HZ LYS 11 -1.719 -6.109 -11.137
92 H ASP 12 HN ASP 12 -0.438 -1.798 -6.534
93 HA ASP 12 HA ASP 12 1.844 -1.851 -8.239
94 HB2 ASP 12 2HB ASP 12 0.300 0.026 -8.337
95 HB3 ASP 12 1HB ASP 12 0.610 0.388 -6.644
96 H ARG 13 HN ARG 13 3.919 -1.365 -7.691
97 HA ARG 13 HA ARG 13 5.002 -2.634 -5.490
98 HB2 ARG 13 2HB ARG 13 6.189 -0.499 -7.204
99 HB3 ARG 13 1HB ARG 13 7.102 -1.419 -6.022
100 HG2 ARG 13 2HG ARG 13 6.532 -3.477 -7.266
101 HG3 ARG 13 1HG ARG 13 5.734 -2.469 -8.482
102 HD2 ARG 13 2HD ARG 13 8.039 -3.016 -9.126
103 HD3 ARG 13 1HD ARG 13 7.803 -1.281 -8.894
104 HE ARG 13 HE ARG 13 8.762 -2.774 -6.611
105 HH11 ARG 13 1HH1 ARG 13 9.635 -0.673 -9.322
106 HH12 ARG 13 2HH1 ARG 13 11.142 -0.222 -8.661
107 HH21 ARG 13 1HH2 ARG 13 10.824 -2.118 -5.711
108 HH22 ARG 13 2HH2 ARG 13 11.809 -1.042 -6.569
109 H ARG 14 HN ARG 14 4.023 0.757 -5.731
110 HA ARG 14 HA ARG 14 5.493 1.748 -3.566
111 HB2 ARG 14 2HB ARG 14 2.828 2.599 -4.643
112 HB3 ARG 14 1HB ARG 14 3.782 3.524 -3.493
113 HG2 ARG 14 2HG ARG 14 5.500 3.877 -5.072
114 HG3 ARG 14 1HG ARG 14 4.786 2.717 -6.201
115 HD2 ARG 14 2HD ARG 14 2.805 4.165 -6.368
116 HD3 ARG 14 1HD ARG 14 3.599 5.338 -5.321
117 HE ARG 14 HE ARG 14 5.154 5.758 -6.998
118 HH11 ARG 14 1HH1 ARG 14 2.882 3.306 -8.123
119 HH12 ARG 14 2HH1 ARG 14 2.837 3.870 -9.734
120 HH21 ARG 14 1HH2 ARG 14 5.109 6.536 -9.264
121 HH22 ARG 14 2HH2 ARG 14 4.084 5.750 -10.377
122 H CYS 15 HN CYS 15 2.814 -0.393 -3.549
123 HA CYS 15 HA CYS 15 2.103 0.357 -0.843
124 HB2 CYS 15 2HB CYS 15 0.909 -1.780 -2.610
125 HB3 CYS 15 1HB CYS 15 0.225 -1.147 -1.114
126 H LYS 16 HN LYS 16 4.417 -1.547 -2.240
127 HA LYS 16 HA LYS 16 4.153 -3.821 -0.500
128 HB2 LYS 16 2HB LYS 16 6.166 -3.137 -2.618
129 HB3 LYS 16 1HB LYS 16 6.401 -4.497 -1.533
130 HG2 LYS 16 2HG LYS 16 4.023 -4.136 -3.350
131 HG3 LYS 16 1HG LYS 16 5.427 -5.149 -3.704
132 HD2 LYS 16 2HD LYS 16 4.955 -6.459 -1.651
133 HD3 LYS 16 1HD LYS 16 3.511 -5.488 -1.386
134 HE2 LYS 16 2HE LYS 16 2.936 -7.601 -2.420
135 HE3 LYS 16 1HE LYS 16 2.597 -6.265 -3.515
136 HZ1 LYS 16 1HZ LYS 16 4.601 -6.770 -4.736
137 HZ2 LYS 16 2HZ LYS 16 3.677 -8.172 -4.604
138 HZ3 LYS 16 3HZ LYS 16 5.032 -7.965 -3.629
139 HA HYP 17 HA HYP 17 7.936 -1.733 1.758
140 HB2 HYP 17 1HB HYP 17 8.609 0.253 0.673
141 HB3 HYP 17 2HB HYP 17 7.663 0.976 1.989
142 HG HYP 17 HG HYP 17 5.713 1.046 0.677
143 HD22 HYP 17 1HD1 HYP 17 7.326 -0.637 -1.272
144 HD23 HYP 17 2HD1 HYP 17 5.563 -0.372 -1.291
145 HD1 HYP 17 2HD HYP 17 6.574 1.531 -1.481
146 H LEU 18 HN LEU 18 4.655 -1.090 1.587
147 HA LEU 18 HA LEU 18 4.356 0.093 4.207
148 HB2 LEU 18 2HB LEU 18 2.251 -0.757 2.239
149 HB3 LEU 18 1HB LEU 18 2.030 0.292 3.620
150 HG LEU 18 HG LEU 18 3.587 0.950 1.108
151 HD11 LEU 18 1HD1 LEU 18 1.825 2.556 0.723
152 HD12 LEU 18 2HD1 LEU 18 1.032 2.063 2.217
153 HD13 LEU 18 3HD1 LEU 18 1.147 0.930 0.876
154 HD21 LEU 18 1HD2 LEU 18 4.633 1.993 3.062
155 HD22 LEU 18 2HD2 LEU 18 3.072 2.636 3.566
156 HD23 LEU 18 3HD2 LEU 18 3.814 3.197 2.069
157 H LYS 19 HN LYS 19 3.848 -1.009 5.954
158 HA LYS 19 HA LYS 19 3.925 -3.832 6.108
159 HB2 LYS 19 2HB LYS 19 2.926 -1.790 8.095
160 HB3 LYS 19 1HB LYS 19 3.187 -3.488 8.457
161 HG2 LYS 19 2HG LYS 19 5.549 -3.253 8.025
162 HG3 LYS 19 1HG LYS 19 5.317 -1.569 7.553
163 HD2 LYS 19 2HD LYS 19 4.575 -1.007 9.788
164 HD3 LYS 19 1HD LYS 19 4.670 -2.699 10.276
165 HE2 LYS 19 2HE LYS 19 7.003 -1.046 9.331
166 HE3 LYS 19 1HE LYS 19 6.599 -1.324 11.021
167 HZ1 LYS 19 1HZ LYS 19 8.305 -2.836 10.253
168 HZ2 LYS 19 2HZ LYS 19 7.286 -3.440 9.051
169 HZ3 LYS 19 3HZ LYS 19 6.911 -3.674 10.680
170 H CYS 20 HN CYS 20 1.423 -1.611 5.549
171 HA CYS 20 HA CYS 20 -0.827 -3.124 6.301
172 HB2 CYS 20 2HB CYS 20 -0.770 -0.657 5.840
173 HB3 CYS 20 1HB CYS 20 -0.649 -1.032 4.128
174 H CYS 21 HN CYS 21 1.378 -3.522 3.746
175 HA CYS 21 HA CYS 21 -0.400 -5.491 2.501
176 HB2 CYS 21 2HB CYS 21 0.061 -3.666 0.886
177 HB3 CYS 21 1HB CYS 21 1.778 -3.870 1.168
178 H ALA 22 HN ALA 22 3.022 -4.581 3.039
179 HA ALA 22 HA ALA 22 3.584 -7.373 3.591
180 HB1 ALA 22 2HB ALA 22 5.238 -5.555 1.836
181 HB2 ALA 22 3HB ALA 22 4.273 -6.924 1.283
182 HB3 ALA 22 1HB ALA 22 5.665 -7.193 2.332
183 HN1 NH2 23 2H ALA 22 4.864 -5.945 6.480
184 HN2 NH2 23 1H ALA 22 3.748 -7.019 5.719
Start of MODEL 7
1 H1 ARG 1 1HT ARG 1 -0.200 8.885 -2.531
2 H2 ARG 1 2HT ARG 1 -1.073 9.709 -1.363
3 H3 ARG 1 3HT ARG 1 -1.323 10.057 -2.989
4 HA ARG 1 HA ARG 1 -3.101 8.646 -2.075
5 HB2 ARG 1 2HB ARG 1 -2.354 8.324 -4.462
6 HB3 ARG 1 1HB ARG 1 -1.246 7.083 -3.902
7 HG2 ARG 1 2HG ARG 1 -3.208 5.805 -3.048
8 HG3 ARG 1 1HG ARG 1 -4.247 7.005 -3.818
9 HD2 ARG 1 2HD ARG 1 -2.223 5.257 -5.207
10 HD3 ARG 1 1HD ARG 1 -3.969 5.032 -5.231
11 HE ARG 1 HE ARG 1 -3.252 7.613 -6.160
12 HH11 ARG 1 1HH1 ARG 1 -3.363 4.244 -7.200
13 HH12 ARG 1 2HH1 ARG 1 -3.473 4.599 -8.857
14 HH21 ARG 1 1HH2 ARG 1 -3.400 8.117 -8.405
15 HH22 ARG 1 2HH2 ARG 1 -3.494 6.879 -9.569
16 H ASP 2 HN ASP 2 -3.528 7.269 -0.404
17 HA ASP 2 HA ASP 2 -1.253 5.858 0.730
18 HB2 ASP 2 2HB ASP 2 -2.624 7.163 2.281
19 HB3 ASP 2 1HB ASP 2 -4.039 6.201 1.851
20 H CYS 3 HN CYS 3 -0.943 3.763 0.552
21 HA CYS 3 HA CYS 3 -2.813 2.222 -1.065
22 HB2 CYS 3 2HB CYS 3 -0.080 1.514 -0.030
23 HB3 CYS 3 1HB CYS 3 -1.025 0.607 -1.214
24 H CYS 4 HN CYS 4 -2.601 2.730 2.208
25 HA CYS 4 HA CYS 4 -2.989 -0.102 2.867
26 HB2 CYS 4 2HB CYS 4 -2.305 2.222 4.671
27 HB3 CYS 4 1HB CYS 4 -2.380 0.517 5.117
28 H THR 5 HN THR 5 -4.722 2.574 2.182
29 HA THR 5 HA THR 5 -6.624 2.417 4.272
30 HB THR 5 HB THR 5 -7.099 3.620 1.548
31 HG1 THR 5 1HG THR 5 -5.125 4.309 3.154
32 HG21 THR 5 1HG2 THR 5 -8.653 5.046 2.791
33 HG22 THR 5 2HG2 THR 5 -8.140 4.260 4.295
34 HG23 THR 5 3HG2 THR 5 -9.004 3.331 3.085
35 HA HYP 6 HA HYP 6 -8.493 -1.234 2.443
36 HB2 HYP 6 1HB HYP 6 -9.342 -2.234 4.333
37 HB3 HYP 6 2HB HYP 6 -10.556 -0.960 4.529
38 HG HYP 6 HG HYP 6 -9.012 -0.604 6.370
39 HD22 HYP 6 1HD1 HYP 6 -7.714 1.379 5.368
40 HD23 HYP 6 2HD1 HYP 6 -9.465 1.400 5.001
41 HD1 HYP 6 2HD HYP 6 -6.816 -0.278 4.961
42 HA HYP 7 HA HYP 7 -9.824 -2.733 1.605
43 HB2 HYP 7 1HB HYP 7 -11.437 -3.680 0.287
44 HB3 HYP 7 2HB HYP 7 -10.680 -2.915 -1.114
45 HG HYP 7 HG HYP 7 -12.709 -1.773 -1.185
46 HD22 HYP 7 1HD1 HYP 7 -12.437 0.201 0.611
47 HD23 HYP 7 2HD1 HYP 7 -11.200 0.042 -0.664
48 HD1 HYP 7 2HD HYP 7 -14.064 -1.811 0.317
49 H LYS 8 HN LYS 8 -7.768 -2.672 1.444
50 HA LYS 8 HA LYS 8 -6.488 -0.912 -0.403
51 HB2 LYS 8 2HB LYS 8 -4.407 -1.842 0.805
52 HB3 LYS 8 1HB LYS 8 -5.497 -0.756 1.658
53 HG2 LYS 8 2HG LYS 8 -6.526 -2.530 2.760
54 HG3 LYS 8 1HG LYS 8 -5.609 -3.741 1.836
55 HD2 LYS 8 2HD LYS 8 -3.563 -2.850 2.900
56 HD3 LYS 8 1HD LYS 8 -4.539 -1.660 3.760
57 HE2 LYS 8 2HE LYS 8 -4.745 -4.656 4.071
58 HE3 LYS 8 1HE LYS 8 -3.899 -3.576 5.173
59 HZ1 LYS 8 1HZ LYS 8 -6.099 -2.441 5.517
60 HZ2 LYS 8 2HZ LYS 8 -5.992 -3.991 6.109
61 HZ3 LYS 8 3HZ LYS 8 -6.828 -3.712 4.669
62 H LYS 9 HN LYS 9 -5.318 -1.389 -2.047
63 HA LYS 9 HA LYS 9 -4.999 -4.195 -2.828
64 HB2 LYS 9 2HB LYS 9 -5.588 -1.807 -4.592
65 HB3 LYS 9 1HB LYS 9 -5.181 -3.405 -5.179
66 HG2 LYS 9 2HG LYS 9 -7.240 -4.286 -4.195
67 HG3 LYS 9 1HG LYS 9 -7.644 -2.669 -3.604
68 HD2 LYS 9 2HD LYS 9 -7.711 -1.823 -5.882
69 HD3 LYS 9 1HD LYS 9 -7.212 -3.392 -6.504
70 HE2 LYS 9 2HE LYS 9 -9.603 -3.089 -6.802
71 HE3 LYS 9 1HE LYS 9 -9.296 -4.377 -5.643
72 HZ1 LYS 9 1HZ LYS 9 -9.982 -1.586 -4.921
73 HZ2 LYS 9 2HZ LYS 9 -9.867 -2.894 -3.851
74 HZ3 LYS 9 3HZ LYS 9 -11.084 -2.836 -5.011
75 H CYS 10 HN CYS 10 -2.908 -4.636 -2.912
76 HA CYS 10 HA CYS 10 -0.970 -2.507 -3.204
77 HB2 CYS 10 2HB CYS 10 -0.493 -5.496 -2.998
78 HB3 CYS 10 1HB CYS 10 0.712 -4.228 -2.832
79 H LYS 11 HN LYS 11 -1.469 -1.847 -5.332
80 HA LYS 11 HA LYS 11 -0.995 -3.815 -7.436
81 HB2 LYS 11 2HB LYS 11 -3.014 -2.389 -7.610
82 HB3 LYS 11 1HB LYS 11 -1.988 -0.965 -7.642
83 HG2 LYS 11 2HG LYS 11 -2.721 -1.468 -9.874
84 HG3 LYS 11 1HG LYS 11 -0.988 -1.768 -9.751
85 HD2 LYS 11 2HD LYS 11 -1.427 -4.170 -9.493
86 HD3 LYS 11 1HD LYS 11 -3.159 -3.859 -9.605
87 HE2 LYS 11 2HE LYS 11 -1.125 -3.288 -11.762
88 HE3 LYS 11 1HE LYS 11 -2.230 -4.659 -11.732
89 HZ1 LYS 11 1HZ LYS 11 -3.060 -2.900 -13.143
90 HZ2 LYS 11 2HZ LYS 11 -3.015 -1.796 -11.888
91 HZ3 LYS 11 3HZ LYS 11 -4.084 -3.091 -11.826
92 H ASP 12 HN ASP 12 -0.022 -0.517 -6.536
93 HA ASP 12 HA ASP 12 2.228 -0.728 -8.332
94 HB2 ASP 12 2HB ASP 12 1.004 1.460 -7.987
95 HB3 ASP 12 1HB ASP 12 1.680 1.511 -6.362
96 H ARG 13 HN ARG 13 4.337 -0.690 -7.713
97 HA ARG 13 HA ARG 13 4.938 -2.443 -5.592
98 HB2 ARG 13 2HB ARG 13 6.668 -0.861 -7.472
99 HB3 ARG 13 1HB ARG 13 7.332 -1.866 -6.197
100 HG2 ARG 13 2HG ARG 13 7.364 -3.019 -8.354
101 HG3 ARG 13 1HG ARG 13 6.323 -3.846 -7.205
102 HD2 ARG 13 2HD ARG 13 5.352 -3.758 -9.459
103 HD3 ARG 13 1HD ARG 13 4.364 -2.911 -8.276
104 HE ARG 13 HE ARG 13 6.229 -1.240 -9.711
105 HH11 ARG 13 1HH1 ARG 13 2.946 -2.598 -9.722
106 HH12 ARG 13 2HH1 ARG 13 2.276 -1.371 -10.676
107 HH21 ARG 13 1HH2 ARG 13 5.333 0.448 -11.002
108 HH22 ARG 13 2HH2 ARG 13 3.685 0.453 -11.431
109 H ARG 14 HN ARG 14 4.786 0.988 -5.802
110 HA ARG 14 HA ARG 14 6.491 1.622 -3.631
111 HB2 ARG 14 2HB ARG 14 5.419 3.800 -3.624
112 HB3 ARG 14 1HB ARG 14 5.703 3.297 -5.283
113 HG2 ARG 14 2HG ARG 14 3.324 2.537 -5.360
114 HG3 ARG 14 1HG ARG 14 3.094 3.305 -3.789
115 HD2 ARG 14 2HD ARG 14 3.786 5.448 -4.754
116 HD3 ARG 14 1HD ARG 14 4.026 4.644 -6.305
117 HE ARG 14 HE ARG 14 1.423 4.175 -5.386
118 HH11 ARG 14 1HH1 ARG 14 3.380 6.758 -6.790
119 HH12 ARG 14 2HH1 ARG 14 2.054 7.580 -7.474
120 HH21 ARG 14 1HH2 ARG 14 -0.361 5.250 -6.354
121 HH22 ARG 14 2HH2 ARG 14 -0.118 6.702 -7.244
122 H CYS 15 HN CYS 15 3.422 0.172 -3.782
123 HA CYS 15 HA CYS 15 2.611 0.956 -1.128
124 HB2 CYS 15 2HB CYS 15 1.417 -1.076 -3.007
125 HB3 CYS 15 1HB CYS 15 0.650 -0.369 -1.592
126 H LYS 16 HN LYS 16 4.750 -1.248 -2.404
127 HA LYS 16 HA LYS 16 3.905 -3.557 -0.909
128 HB2 LYS 16 2HB LYS 16 4.893 -3.859 -3.133
129 HB3 LYS 16 1HB LYS 16 6.409 -3.174 -2.569
130 HG2 LYS 16 2HG LYS 16 6.612 -5.059 -0.966
131 HG3 LYS 16 1HG LYS 16 5.152 -5.759 -1.657
132 HD2 LYS 16 2HD LYS 16 7.724 -5.211 -3.149
133 HD3 LYS 16 1HD LYS 16 7.189 -6.787 -2.576
134 HE2 LYS 16 2HE LYS 16 5.194 -6.589 -4.036
135 HE3 LYS 16 1HE LYS 16 5.827 -5.061 -4.647
136 HZ1 LYS 16 1HZ LYS 16 7.123 -7.710 -4.887
137 HZ2 LYS 16 2HZ LYS 16 7.791 -6.265 -5.422
138 HZ3 LYS 16 3HZ LYS 16 6.377 -6.852 -6.138
139 HA HYP 17 HA HYP 17 7.929 -2.392 1.712
140 HB2 HYP 17 1HB HYP 17 9.050 -0.549 0.822
141 HB3 HYP 17 2HB HYP 17 8.150 0.330 2.074
142 HG HYP 17 HG HYP 17 6.386 0.823 0.589
143 HD22 HYP 17 1HD1 HYP 17 7.768 -1.152 -1.255
144 HD23 HYP 17 2HD1 HYP 17 6.110 -0.515 -1.407
145 HD1 HYP 17 2HD HYP 17 7.212 1.495 -1.245
146 H LEU 18 HN LEU 18 4.850 -0.980 1.492
147 HA LEU 18 HA LEU 18 4.652 -0.042 4.198
148 HB2 LEU 18 2HB LEU 18 2.524 -0.435 2.112
149 HB3 LEU 18 1HB LEU 18 2.359 0.467 3.600
150 HG LEU 18 HG LEU 18 4.145 1.238 1.281
151 HD11 LEU 18 1HD1 LEU 18 1.500 2.313 2.230
152 HD12 LEU 18 2HD1 LEU 18 1.797 1.412 0.742
153 HD13 LEU 18 3HD1 LEU 18 2.504 3.016 0.965
154 HD21 LEU 18 1HD2 LEU 18 4.360 3.352 2.455
155 HD22 LEU 18 2HD2 LEU 18 4.983 2.030 3.454
156 HD23 LEU 18 3HD2 LEU 18 3.388 2.726 3.784
157 H LYS 19 HN LYS 19 4.473 -1.543 5.758
158 HA LYS 19 HA LYS 19 3.590 -4.194 5.263
159 HB2 LYS 19 2HB LYS 19 3.758 -4.520 7.684
160 HB3 LYS 19 1HB LYS 19 5.196 -3.743 7.045
161 HG2 LYS 19 2HG LYS 19 4.334 -1.573 7.873
162 HG3 LYS 19 1HG LYS 19 2.956 -2.425 8.568
163 HD2 LYS 19 2HD LYS 19 5.859 -2.890 9.282
164 HD3 LYS 19 1HD LYS 19 4.693 -1.985 10.247
165 HE2 LYS 19 2HE LYS 19 3.334 -4.027 10.491
166 HE3 LYS 19 1HE LYS 19 4.521 -4.909 9.532
167 HZ1 LYS 19 1HZ LYS 19 5.091 -3.597 12.127
168 HZ2 LYS 19 2HZ LYS 19 6.162 -4.550 11.227
169 HZ3 LYS 19 3HZ LYS 19 4.784 -5.239 11.909
170 H CYS 20 HN CYS 20 1.980 -1.302 5.862
171 HA CYS 20 HA CYS 20 -0.380 -2.493 6.944
172 HB2 CYS 20 2HB CYS 20 -1.334 -0.177 6.642
173 HB3 CYS 20 1HB CYS 20 0.058 -0.300 7.693
174 H CYS 21 HN CYS 21 0.915 -2.373 3.826
175 HA CYS 21 HA CYS 21 -1.569 -1.994 2.406
176 HB2 CYS 21 2HB CYS 21 0.811 -1.562 1.410
177 HB3 CYS 21 1HB CYS 21 0.944 -3.299 1.351
178 H ALA 22 HN ALA 22 0.354 -4.621 3.607
179 HA ALA 22 HA ALA 22 -1.570 -6.552 2.571
180 HB1 ALA 22 2HB ALA 22 0.131 -8.246 3.147
181 HB2 ALA 22 3HB ALA 22 1.168 -6.964 3.776
182 HB3 ALA 22 1HB ALA 22 0.778 -7.013 2.061
183 HN1 NH2 23 2H ALA 22 -0.885 -6.893 6.572
184 HN2 NH2 23 1H ALA 22 0.423 -6.754 5.453
Start of MODEL 8
1 H1 ARG 1 1HT ARG 1 -4.336 11.512 -0.475
2 H2 ARG 1 2HT ARG 1 -2.830 10.772 -0.806
3 H3 ARG 1 3HT ARG 1 -3.315 11.046 0.770
4 HA ARG 1 HA ARG 1 -5.047 9.526 0.672
5 HB2 ARG 1 2HB ARG 1 -5.341 8.066 -1.252
6 HB3 ARG 1 1HB ARG 1 -5.634 9.740 -1.732
7 HG2 ARG 1 2HG ARG 1 -3.374 9.792 -2.712
8 HG3 ARG 1 1HG ARG 1 -3.147 8.106 -2.246
9 HD2 ARG 1 2HD ARG 1 -5.141 7.550 -3.643
10 HD3 ARG 1 1HD ARG 1 -5.150 9.226 -4.193
11 HE ARG 1 HE ARG 1 -2.664 7.780 -4.530
12 HH11 ARG 1 1HH1 ARG 1 -5.614 9.011 -6.072
13 HH12 ARG 1 2HH1 ARG 1 -5.068 8.718 -7.653
14 HH21 ARG 1 1HH2 ARG 1 -1.941 7.322 -6.743
15 HH22 ARG 1 2HH2 ARG 1 -2.968 7.708 -8.029
16 H ASP 2 HN ASP 2 -4.593 7.466 1.358
17 HA ASP 2 HA ASP 2 -1.771 6.703 1.235
18 HB2 ASP 2 2HB ASP 2 -3.897 6.051 3.295
19 HB3 ASP 2 1HB ASP 2 -2.337 5.249 3.229
20 H CYS 3 HN CYS 3 -1.295 4.679 0.599
21 HA CYS 3 HA CYS 3 -3.240 3.332 -1.010
22 HB2 CYS 3 2HB CYS 3 -0.858 3.381 -1.653
23 HB3 CYS 3 1HB CYS 3 -0.449 2.466 -0.206
24 H CYS 4 HN CYS 4 -2.376 3.242 2.251
25 HA CYS 4 HA CYS 4 -3.043 0.535 2.837
26 HB2 CYS 4 2HB CYS 4 -2.769 2.934 4.648
27 HB3 CYS 4 1HB CYS 4 -2.861 1.258 5.179
28 H THR 5 HN THR 5 -4.863 3.362 2.209
29 HA THR 5 HA THR 5 -7.027 2.925 3.909
30 HB THR 5 HB THR 5 -7.007 4.293 1.206
31 HG1 THR 5 1HG THR 5 -6.193 5.067 3.805
32 HG21 THR 5 1HG2 THR 5 -8.702 4.686 3.676
33 HG22 THR 5 2HG2 THR 5 -9.219 3.860 2.218
34 HG23 THR 5 3HG2 THR 5 -8.860 5.597 2.165
35 HA HYP 6 HA HYP 6 -8.311 -0.748 1.685
36 HB2 HYP 6 1HB HYP 6 -9.262 -1.855 3.438
37 HB3 HYP 6 2HB HYP 6 -10.690 -0.810 3.360
38 HG HYP 6 HG HYP 6 -9.676 -0.184 5.469
39 HD22 HYP 6 1HD1 HYP 6 -8.405 1.934 4.720
40 HD23 HYP 6 2HD1 HYP 6 -10.005 1.737 3.947
41 HD1 HYP 6 2HD HYP 6 -7.272 0.237 4.323
42 HA HYP 7 HA HYP 7 -9.327 -2.244 0.488
43 HB2 HYP 7 1HB HYP 7 -10.524 -3.127 -1.235
44 HB3 HYP 7 2HB HYP 7 -9.560 -2.164 -2.359
45 HG HYP 7 HG HYP 7 -11.624 -1.145 -2.747
46 HD22 HYP 7 1HD1 HYP 7 -11.878 0.642 -0.768
47 HD23 HYP 7 2HD1 HYP 7 -10.382 0.669 -1.735
48 HD1 HYP 7 2HD HYP 7 -12.746 -0.987 -0.404
49 H LYS 8 HN LYS 8 -7.234 -2.543 0.342
50 HA LYS 8 HA LYS 8 -5.502 -0.395 -0.192
51 HB2 LYS 8 2HB LYS 8 -4.808 -3.311 0.121
52 HB3 LYS 8 1HB LYS 8 -3.695 -1.957 0.276
53 HG2 LYS 8 2HG LYS 8 -5.137 -1.130 2.181
54 HG3 LYS 8 1HG LYS 8 -6.017 -2.633 2.023
55 HD2 LYS 8 2HD LYS 8 -3.051 -2.531 2.563
56 HD3 LYS 8 1HD LYS 8 -4.274 -2.699 3.817
57 HE2 LYS 8 2HE LYS 8 -3.850 -4.625 1.518
58 HE3 LYS 8 1HE LYS 8 -3.280 -4.860 3.164
59 HZ1 LYS 8 1HZ LYS 8 -5.326 -6.057 2.765
60 HZ2 LYS 8 2HZ LYS 8 -6.137 -4.651 2.354
61 HZ3 LYS 8 3HZ LYS 8 -5.566 -4.867 3.924
62 H LYS 9 HN LYS 9 -3.993 -0.081 -1.768
63 HA LYS 9 HA LYS 9 -4.835 -1.034 -4.405
64 HB2 LYS 9 2HB LYS 9 -2.840 1.123 -3.726
65 HB3 LYS 9 1HB LYS 9 -3.687 0.881 -5.245
66 HG2 LYS 9 2HG LYS 9 -5.777 1.536 -4.222
67 HG3 LYS 9 1HG LYS 9 -4.982 1.684 -2.652
68 HD2 LYS 9 2HD LYS 9 -3.506 3.425 -3.603
69 HD3 LYS 9 1HD LYS 9 -4.392 3.313 -5.122
70 HE2 LYS 9 2HE LYS 9 -5.511 4.140 -2.443
71 HE3 LYS 9 1HE LYS 9 -5.178 5.200 -3.807
72 HZ1 LYS 9 1HZ LYS 9 -7.506 4.698 -3.782
73 HZ2 LYS 9 2HZ LYS 9 -7.227 3.074 -3.633
74 HZ3 LYS 9 3HZ LYS 9 -6.836 3.853 -5.081
75 H CYS 10 HN CYS 10 -3.437 -2.912 -2.869
76 HA CYS 10 HA CYS 10 -0.627 -2.945 -3.171
77 HB2 CYS 10 2HB CYS 10 -2.546 -5.202 -2.627
78 HB3 CYS 10 1HB CYS 10 -0.797 -5.321 -2.498
79 H LYS 11 HN LYS 11 -2.233 -2.736 -5.742
80 HA LYS 11 HA LYS 11 -1.341 -5.051 -7.245
81 HB2 LYS 11 2HB LYS 11 -2.751 -2.510 -8.072
82 HB3 LYS 11 1HB LYS 11 -2.294 -3.781 -9.197
83 HG2 LYS 11 2HG LYS 11 -4.138 -4.160 -6.855
84 HG3 LYS 11 1HG LYS 11 -4.677 -3.825 -8.501
85 HD2 LYS 11 2HD LYS 11 -3.595 -5.877 -9.275
86 HD3 LYS 11 1HD LYS 11 -3.034 -6.213 -7.637
87 HE2 LYS 11 2HE LYS 11 -5.340 -6.377 -6.867
88 HE3 LYS 11 1HE LYS 11 -5.912 -5.969 -8.481
89 HZ1 LYS 11 1HZ LYS 11 -4.940 -7.981 -9.319
90 HZ2 LYS 11 2HZ LYS 11 -5.999 -8.353 -8.080
91 HZ3 LYS 11 3HZ LYS 11 -4.333 -8.400 -7.808
92 H ASP 12 HN ASP 12 -0.237 -1.980 -6.321
93 HA ASP 12 HA ASP 12 1.823 -1.978 -8.408
94 HB2 ASP 12 2HB ASP 12 0.456 0.098 -8.113
95 HB3 ASP 12 1HB ASP 12 1.089 0.220 -6.474
96 H ARG 13 HN ARG 13 3.930 -2.039 -7.857
97 HA ARG 13 HA ARG 13 4.760 -3.465 -5.623
98 HB2 ARG 13 2HB ARG 13 7.021 -2.856 -6.229
99 HB3 ARG 13 1HB ARG 13 6.094 -3.394 -7.631
100 HG2 ARG 13 2HG ARG 13 5.770 -1.024 -8.280
101 HG3 ARG 13 1HG ARG 13 6.725 -0.535 -6.890
102 HD2 ARG 13 2HD ARG 13 7.742 -2.305 -9.092
103 HD3 ARG 13 1HD ARG 13 7.966 -0.558 -9.049
104 HE ARG 13 HE ARG 13 8.883 -1.684 -6.653
105 HH11 ARG 13 1HH1 ARG 13 9.709 -1.731 -10.071
106 HH12 ARG 13 2HH1 ARG 13 11.400 -1.715 -9.842
107 HH21 ARG 13 1HH2 ARG 13 11.251 -1.759 -6.296
108 HH22 ARG 13 2HH2 ARG 13 12.292 -1.752 -7.635
109 H ARG 14 HN ARG 14 4.375 -0.010 -5.988
110 HA ARG 14 HA ARG 14 6.090 0.737 -3.866
111 HB2 ARG 14 2HB ARG 14 3.837 2.153 -5.251
112 HB3 ARG 14 1HB ARG 14 4.771 2.897 -3.960
113 HG2 ARG 14 2HG ARG 14 6.754 2.856 -5.229
114 HG3 ARG 14 1HG ARG 14 6.056 1.750 -6.414
115 HD2 ARG 14 2HD ARG 14 5.043 4.533 -5.915
116 HD3 ARG 14 1HD ARG 14 6.215 4.124 -7.171
117 HE ARG 14 HE ARG 14 4.070 2.408 -7.464
118 HH11 ARG 14 1HH1 ARG 14 4.458 5.935 -7.578
119 HH12 ARG 14 2HH1 ARG 14 3.415 6.159 -8.884
120 HH21 ARG 14 1HH2 ARG 14 2.626 2.697 -9.236
121 HH22 ARG 14 2HH2 ARG 14 2.307 4.256 -9.863
122 H CYS 15 HN CYS 15 3.033 -0.705 -3.862
123 HA CYS 15 HA CYS 15 2.450 0.305 -1.213
124 HB2 CYS 15 2HB CYS 15 0.881 -1.415 -3.104
125 HB3 CYS 15 1HB CYS 15 0.331 -0.982 -1.485
126 H LYS 16 HN LYS 16 4.299 -2.141 -2.452
127 HA LYS 16 HA LYS 16 3.440 -4.138 -0.553
128 HB2 LYS 16 2HB LYS 16 4.223 -4.905 -2.749
129 HB3 LYS 16 1HB LYS 16 5.811 -4.217 -2.439
130 HG2 LYS 16 2HG LYS 16 6.137 -5.761 -0.591
131 HG3 LYS 16 1HG LYS 16 4.537 -6.447 -0.861
132 HD2 LYS 16 2HD LYS 16 5.240 -7.214 -3.069
133 HD3 LYS 16 1HD LYS 16 6.820 -6.466 -2.820
134 HE2 LYS 16 2HE LYS 16 5.666 -8.671 -1.119
135 HE3 LYS 16 1HE LYS 16 6.853 -8.899 -2.403
136 HZ1 LYS 16 1HZ LYS 16 7.284 -7.236 0.031
137 HZ2 LYS 16 2HZ LYS 16 8.399 -7.540 -1.185
138 HZ3 LYS 16 3HZ LYS 16 7.888 -8.788 -0.207
139 HA HYP 17 HA HYP 17 7.665 -2.678 1.615
140 HB2 HYP 17 1HB HYP 17 8.718 -0.955 0.419
141 HB3 HYP 17 2HB HYP 17 7.825 0.092 1.541
142 HG HYP 17 HG HYP 17 5.998 0.271 0.066
143 HD22 HYP 17 1HD1 HYP 17 7.404 -1.956 -1.440
144 HD23 HYP 17 2HD1 HYP 17 5.738 -1.372 -1.700
145 HD1 HYP 17 2HD HYP 17 6.670 0.805 -1.779
146 H LEU 18 HN LEU 18 4.542 -1.342 1.340
147 HA LEU 18 HA LEU 18 4.463 0.037 3.839
148 HB2 LEU 18 2HB LEU 18 2.254 -0.771 1.958
149 HB3 LEU 18 1HB LEU 18 2.071 0.308 3.322
150 HG LEU 18 HG LEU 18 3.697 0.841 0.832
151 HD11 LEU 18 1HD1 LEU 18 1.149 2.080 1.850
152 HD12 LEU 18 2HD1 LEU 18 1.287 0.966 0.495
153 HD13 LEU 18 3HD1 LEU 18 2.031 2.564 0.401
154 HD21 LEU 18 1HD2 LEU 18 4.009 3.098 1.761
155 HD22 LEU 18 2HD2 LEU 18 4.764 1.867 2.768
156 HD23 LEU 18 3HD2 LEU 18 3.227 2.584 3.257
157 H LYS 19 HN LYS 19 4.114 -0.810 5.695
158 HA LYS 19 HA LYS 19 3.949 -3.581 6.134
159 HB2 LYS 19 2HB LYS 19 3.786 -3.007 8.496
160 HB3 LYS 19 1HB LYS 19 5.062 -2.101 7.697
161 HG2 LYS 19 2HG LYS 19 3.581 -0.150 7.601
162 HG3 LYS 19 1HG LYS 19 2.323 -1.069 8.428
163 HD2 LYS 19 2HD LYS 19 3.426 0.317 10.030
164 HD3 LYS 19 1HD LYS 19 3.908 -1.351 10.334
165 HE2 LYS 19 2HE LYS 19 6.022 -0.967 9.170
166 HE3 LYS 19 1HE LYS 19 5.531 0.685 8.801
167 HZ1 LYS 19 1HZ LYS 19 5.995 -0.448 11.502
168 HZ2 LYS 19 2HZ LYS 19 5.455 1.118 11.191
169 HZ3 LYS 19 3HZ LYS 19 6.987 0.650 10.697
170 H CYS 20 HN CYS 20 1.512 -1.248 5.649
171 HA CYS 20 HA CYS 20 -0.623 -2.549 6.994
172 HB2 CYS 20 2HB CYS 20 -2.057 -1.075 5.586
173 HB3 CYS 20 1HB CYS 20 -0.780 -0.195 6.425
174 H CYS 21 HN CYS 21 0.951 -2.973 3.940
175 HA CYS 21 HA CYS 21 -1.161 -4.756 3.006
176 HB2 CYS 21 2HB CYS 21 -0.222 -3.004 1.430
177 HB3 CYS 21 1HB CYS 21 1.325 -3.820 1.555
178 H ALA 22 HN ALA 22 2.309 -4.579 3.653
179 HA ALA 22 HA ALA 22 2.401 -7.489 3.692
180 HB1 ALA 22 2HB ALA 22 3.915 -6.445 2.095
181 HB2 ALA 22 3HB ALA 22 4.814 -7.231 3.394
182 HB3 ALA 22 1HB ALA 22 4.623 -5.479 3.392
183 HN1 NH2 23 2H ALA 22 2.571 -7.331 7.147
184 HN2 NH2 23 1H ALA 22 1.787 -7.915 5.716
Start of MODEL 9
1 H1 ARG 1 1HT ARG 1 -2.380 11.543 2.180
2 H2 ARG 1 2HT ARG 1 -2.409 12.452 0.749
3 H3 ARG 1 3HT ARG 1 -1.172 11.318 1.050
4 HA ARG 1 HA ARG 1 -3.980 10.569 0.855
5 HB2 ARG 1 2HB ARG 1 -3.456 9.619 -1.353
6 HB3 ARG 1 1HB ARG 1 -3.194 11.349 -1.357
7 HG2 ARG 1 2HG ARG 1 -0.798 11.016 -1.208
8 HG3 ARG 1 1HG ARG 1 -1.029 9.270 -1.109
9 HD2 ARG 1 2HD ARG 1 -2.089 9.314 -3.338
10 HD3 ARG 1 1HD ARG 1 -1.775 11.046 -3.434
11 HE ARG 1 HE ARG 1 0.623 9.816 -2.873
12 HH11 ARG 1 1HH1 ARG 1 -1.696 9.867 -5.567
13 HH12 ARG 1 2HH1 ARG 1 -0.553 9.476 -6.752
14 HH21 ARG 1 1HH2 ARG 1 2.205 9.258 -4.526
15 HH22 ARG 1 2HH2 ARG 1 1.716 9.124 -6.156
16 H ASP 2 HN ASP 2 -4.305 8.386 1.203
17 HA ASP 2 HA ASP 2 -1.962 7.058 2.351
18 HB2 ASP 2 2HB ASP 2 -3.444 7.721 4.097
19 HB3 ASP 2 1HB ASP 2 -4.832 7.036 3.257
20 H CYS 3 HN CYS 3 -1.400 5.285 1.461
21 HA CYS 3 HA CYS 3 -2.688 4.211 -0.818
22 HB2 CYS 3 2HB CYS 3 -0.262 4.149 -0.547
23 HB3 CYS 3 1HB CYS 3 -0.421 3.129 0.870
24 H CYS 4 HN CYS 4 -2.976 3.525 2.546
25 HA CYS 4 HA CYS 4 -3.920 0.823 2.166
26 HB2 CYS 4 2HB CYS 4 -3.758 2.511 4.651
27 HB3 CYS 4 1HB CYS 4 -4.017 0.766 4.578
28 H THR 5 HN THR 5 -5.279 3.792 1.813
29 HA THR 5 HA THR 5 -7.726 3.307 3.135
30 HB THR 5 HB THR 5 -7.116 5.327 0.953
31 HG1 THR 5 1HG THR 5 -5.927 5.220 3.170
32 HG21 THR 5 1HG2 THR 5 -9.517 4.954 1.330
33 HG22 THR 5 2HG2 THR 5 -9.038 6.550 1.931
34 HG23 THR 5 3HG2 THR 5 -9.285 5.203 3.055
35 HA HYP 6 HA HYP 6 -8.959 0.169 0.247
36 HB2 HYP 6 1HB HYP 6 -10.619 -0.829 1.452
37 HB3 HYP 6 2HB HYP 6 -11.705 0.547 1.204
38 HG HYP 6 HG HYP 6 -11.148 0.645 3.570
39 HD22 HYP 6 1HD1 HYP 6 -9.417 2.547 3.455
40 HD23 HYP 6 2HD1 HYP 6 -10.775 2.752 2.312
41 HD1 HYP 6 2HD HYP 6 -8.503 0.665 2.961
42 HA HYP 7 HA HYP 7 -9.835 -1.120 -1.220
43 HB2 HYP 7 1HB HYP 7 -10.732 -1.649 -3.243
44 HB3 HYP 7 2HB HYP 7 -9.148 -1.218 -3.894
45 HG HYP 7 HG HYP 7 -10.196 0.487 -4.997
46 HD22 HYP 7 1HD1 HYP 7 -11.267 2.173 -3.117
47 HD23 HYP 7 2HD1 HYP 7 -9.513 2.071 -3.378
48 HD1 HYP 7 2HD HYP 7 -12.394 0.652 -3.418
49 H LYS 8 HN LYS 8 -7.963 -1.567 -0.490
50 HA LYS 8 HA LYS 8 -5.657 -0.062 -1.404
51 HB2 LYS 8 2HB LYS 8 -4.537 -1.247 0.557
52 HB3 LYS 8 1HB LYS 8 -5.736 -0.020 0.943
53 HG2 LYS 8 2HG LYS 8 -7.342 -1.591 1.422
54 HG3 LYS 8 1HG LYS 8 -6.409 -2.933 0.795
55 HD2 LYS 8 2HD LYS 8 -4.739 -2.531 2.600
56 HD3 LYS 8 1HD LYS 8 -5.736 -1.210 3.202
57 HE2 LYS 8 2HE LYS 8 -7.568 -2.822 3.614
58 HE3 LYS 8 1HE LYS 8 -6.517 -4.126 3.067
59 HZ1 LYS 8 1HZ LYS 8 -6.067 -2.389 5.437
60 HZ2 LYS 8 2HZ LYS 8 -4.994 -3.557 4.900
61 HZ3 LYS 8 3HZ LYS 8 -6.526 -4.008 5.455
62 H LYS 9 HN LYS 9 -4.187 -0.957 -2.569
63 HA LYS 9 HA LYS 9 -4.535 -3.775 -3.224
64 HB2 LYS 9 2HB LYS 9 -3.358 -1.567 -4.922
65 HB3 LYS 9 1HB LYS 9 -3.412 -3.260 -5.387
66 HG2 LYS 9 2HG LYS 9 -5.805 -1.488 -4.875
67 HG3 LYS 9 1HG LYS 9 -5.209 -1.996 -6.456
68 HD2 LYS 9 2HD LYS 9 -5.672 -4.334 -5.887
69 HD3 LYS 9 1HD LYS 9 -6.225 -3.846 -4.288
70 HE2 LYS 9 2HE LYS 9 -8.032 -2.548 -5.334
71 HE3 LYS 9 1HE LYS 9 -7.480 -3.088 -6.918
72 HZ1 LYS 9 1HZ LYS 9 -8.413 -4.864 -4.743
73 HZ2 LYS 9 2HZ LYS 9 -7.923 -5.359 -6.268
74 HZ3 LYS 9 3HZ LYS 9 -9.329 -4.443 -6.098
75 H CYS 10 HN CYS 10 -3.280 -4.885 -2.045
76 HA CYS 10 HA CYS 10 -0.712 -3.970 -1.167
77 HB2 CYS 10 2HB CYS 10 -2.205 -6.551 -0.770
78 HB3 CYS 10 1HB CYS 10 -0.652 -6.216 -0.026
79 H LYS 11 HN LYS 11 -1.866 -5.588 -3.887
80 HA LYS 11 HA LYS 11 0.704 -6.868 -4.396
81 HB2 LYS 11 2HB LYS 11 -1.847 -6.934 -6.020
82 HB3 LYS 11 1HB LYS 11 -0.375 -7.816 -6.387
83 HG2 LYS 11 2HG LYS 11 -0.611 -9.082 -4.305
84 HG3 LYS 11 1HG LYS 11 -2.082 -8.188 -3.935
85 HD2 LYS 11 2HD LYS 11 -2.650 -10.354 -4.866
86 HD3 LYS 11 1HD LYS 11 -3.113 -9.080 -5.992
87 HE2 LYS 11 2HE LYS 11 -2.089 -10.926 -7.189
88 HE3 LYS 11 1HE LYS 11 -1.058 -9.509 -7.293
89 HZ1 LYS 11 1HZ LYS 11 0.299 -10.466 -5.484
90 HZ2 LYS 11 2HZ LYS 11 0.259 -11.426 -6.844
91 HZ3 LYS 11 3HZ LYS 11 -0.670 -11.849 -5.499
92 H ASP 12 HN ASP 12 -0.487 -3.895 -4.637
93 HA ASP 12 HA ASP 12 0.769 -3.336 -7.215
94 HB2 ASP 12 2HB ASP 12 -1.463 -2.285 -6.779
95 HB3 ASP 12 1HB ASP 12 -0.759 -1.435 -5.407
96 H ARG 13 HN ARG 13 2.518 -1.958 -7.322
97 HA ARG 13 HA ARG 13 4.396 -2.353 -5.327
98 HB2 ARG 13 2HB ARG 13 5.832 -0.768 -6.517
99 HB3 ARG 13 1HB ARG 13 5.101 -1.956 -7.584
100 HG2 ARG 13 2HG ARG 13 3.565 -0.336 -8.438
101 HG3 ARG 13 1HG ARG 13 4.061 0.836 -7.213
102 HD2 ARG 13 2HD ARG 13 5.832 -0.298 -9.369
103 HD3 ARG 13 1HD ARG 13 5.088 1.302 -9.395
104 HE ARG 13 HE ARG 13 6.368 1.425 -7.104
105 HH11 ARG 13 1HH1 ARG 13 7.559 0.219 -10.211
106 HH12 ARG 13 2HH1 ARG 13 9.186 0.614 -9.882
107 HH21 ARG 13 1HH2 ARG 13 8.567 1.942 -6.666
108 HH22 ARG 13 2HH2 ARG 13 9.772 1.634 -7.832
109 H ARG 14 HN ARG 14 2.083 0.233 -5.645
110 HA ARG 14 HA ARG 14 3.423 2.149 -4.088
111 HB2 ARG 14 2HB ARG 14 1.325 3.310 -3.929
112 HB3 ARG 14 1HB ARG 14 1.474 2.636 -5.542
113 HG2 ARG 14 2HG ARG 14 0.044 0.716 -4.704
114 HG3 ARG 14 1HG ARG 14 -0.287 1.720 -3.292
115 HD2 ARG 14 2HD ARG 14 -2.046 2.048 -4.858
116 HD3 ARG 14 1HD ARG 14 -1.053 3.514 -4.867
117 HE ARG 14 HE ARG 14 -0.167 1.622 -6.763
118 HH11 ARG 14 1HH1 ARG 14 -2.702 4.062 -6.310
119 HH12 ARG 14 2HH1 ARG 14 -2.923 4.341 -7.978
120 HH21 ARG 14 1HH2 ARG 14 -0.461 1.998 -9.010
121 HH22 ARG 14 2HH2 ARG 14 -1.608 3.116 -9.581
122 H CYS 15 HN CYS 15 1.694 -0.717 -3.111
123 HA CYS 15 HA CYS 15 2.146 0.084 -0.322
124 HB2 CYS 15 2HB CYS 15 -0.210 -1.258 -1.561
125 HB3 CYS 15 1HB CYS 15 0.318 -1.844 0.012
126 H LYS 16 HN LYS 16 3.799 -1.344 -2.357
127 HA LYS 16 HA LYS 16 3.843 -4.044 -1.308
128 HB2 LYS 16 2HB LYS 16 3.996 -3.726 -3.709
129 HB3 LYS 16 1HB LYS 16 5.439 -2.750 -3.510
130 HG2 LYS 16 2HG LYS 16 6.710 -4.645 -2.844
131 HG3 LYS 16 1HG LYS 16 5.260 -5.652 -2.754
132 HD2 LYS 16 2HD LYS 16 4.909 -5.414 -5.140
133 HD3 LYS 16 1HD LYS 16 6.290 -4.325 -5.256
134 HE2 LYS 16 2HE LYS 16 6.808 -6.616 -5.995
135 HE3 LYS 16 1HE LYS 16 7.788 -6.085 -4.633
136 HZ1 LYS 16 1HZ LYS 16 6.962 -8.372 -4.431
137 HZ2 LYS 16 2HZ LYS 16 5.377 -7.811 -4.371
138 HZ3 LYS 16 3HZ LYS 16 6.455 -7.413 -3.157
139 HA HYP 17 HA HYP 17 7.982 -2.517 0.561
140 HB2 HYP 17 1HB HYP 17 8.799 -0.635 -0.573
141 HB3 HYP 17 2HB HYP 17 8.295 0.169 0.922
142 HG HYP 17 HG HYP 17 6.202 0.762 0.011
143 HD22 HYP 17 1HD1 HYP 17 6.908 -1.093 -2.272
144 HD23 HYP 17 2HD1 HYP 17 5.295 -0.510 -1.799
145 HD1 HYP 17 2HD HYP 17 6.557 1.350 -2.107
146 H LEU 18 HN LEU 18 4.945 -1.140 1.087
147 HA LEU 18 HA LEU 18 5.385 -0.051 3.700
148 HB2 LEU 18 2HB LEU 18 2.809 -0.587 2.232
149 HB3 LEU 18 1HB LEU 18 2.963 0.338 3.706
150 HG LEU 18 HG LEU 18 4.063 1.117 0.992
151 HD11 LEU 18 1HD1 LEU 18 2.418 2.902 1.112
152 HD12 LEU 18 2HD1 LEU 18 1.859 2.302 2.671
153 HD13 LEU 18 3HD1 LEU 18 1.618 1.332 1.222
154 HD21 LEU 18 1HD2 LEU 18 4.145 2.579 3.626
155 HD22 LEU 18 2HD2 LEU 18 4.647 3.228 2.062
156 HD23 LEU 18 3HD2 LEU 18 5.527 1.876 2.780
157 H LYS 19 HN LYS 19 5.033 -0.952 5.606
158 HA LYS 19 HA LYS 19 4.711 -3.761 5.937
159 HB2 LYS 19 2HB LYS 19 4.574 -1.489 7.923
160 HB3 LYS 19 1HB LYS 19 4.586 -3.193 8.355
161 HG2 LYS 19 2HG LYS 19 6.807 -3.460 7.483
162 HG3 LYS 19 1HG LYS 19 6.791 -1.824 6.829
163 HD2 LYS 19 2HD LYS 19 8.074 -1.941 8.913
164 HD3 LYS 19 1HD LYS 19 6.658 -0.908 9.085
165 HE2 LYS 19 2HE LYS 19 5.459 -2.772 10.180
166 HE3 LYS 19 1HE LYS 19 6.913 -3.762 10.037
167 HZ1 LYS 19 1HZ LYS 19 6.664 -2.734 12.231
168 HZ2 LYS 19 2HZ LYS 19 6.746 -1.205 11.529
169 HZ3 LYS 19 3HZ LYS 19 8.067 -2.242 11.455
170 H CYS 20 HN CYS 20 2.592 -1.267 5.471
171 HA CYS 20 HA CYS 20 0.265 -2.097 6.801
172 HB2 CYS 20 2HB CYS 20 0.610 0.142 5.847
173 HB3 CYS 20 1HB CYS 20 0.614 -0.548 4.231
174 H CYS 21 HN CYS 21 1.923 -3.223 3.974
175 HA CYS 21 HA CYS 21 -0.102 -5.249 3.591
176 HB2 CYS 21 2HB CYS 21 1.187 -3.544 1.465
177 HB3 CYS 21 1HB CYS 21 0.471 -5.104 1.098
178 H ALA 22 HN ALA 22 1.223 -6.788 1.734
179 HA ALA 22 HA ALA 22 3.503 -7.662 3.260
180 HB1 ALA 22 2HB ALA 22 2.234 -8.789 0.763
181 HB2 ALA 22 3HB ALA 22 1.895 -9.296 2.417
182 HB3 ALA 22 1HB ALA 22 3.491 -9.569 1.721
183 HN1 NH2 23 2H ALA 22 5.680 -5.665 1.339
184 HN2 NH2 23 1H ALA 22 4.852 -5.856 2.850
Start of MODEL 10
1 H1 ARG 1 1HT ARG 1 2.023 7.236 -0.501
2 H2 ARG 1 2HT ARG 1 1.470 8.371 0.608
3 H3 ARG 1 3HT ARG 1 1.877 8.869 -0.951
4 HA ARG 1 HA ARG 1 -0.505 8.739 -0.606
5 HB2 ARG 1 2HB ARG 1 0.514 8.218 -2.856
6 HB3 ARG 1 1HB ARG 1 0.526 6.525 -2.398
7 HG2 ARG 1 2HG ARG 1 -1.347 6.997 -3.870
8 HG3 ARG 1 1HG ARG 1 -1.919 6.537 -2.267
9 HD2 ARG 1 2HD ARG 1 -2.323 8.846 -1.699
10 HD3 ARG 1 1HD ARG 1 -1.632 9.383 -3.228
11 HE ARG 1 HE ARG 1 -3.553 7.974 -4.198
12 HH11 ARG 1 1HH1 ARG 1 -3.800 9.850 -1.202
13 HH12 ARG 1 2HH1 ARG 1 -5.452 10.209 -1.414
14 HH21 ARG 1 1HH2 ARG 1 -5.810 8.525 -4.484
15 HH22 ARG 1 2HH2 ARG 1 -6.610 9.471 -3.311
16 H ASP 2 HN ASP 2 -2.081 7.777 0.576
17 HA ASP 2 HA ASP 2 -1.424 5.476 2.100
18 HB2 ASP 2 2HB ASP 2 -3.629 5.622 3.099
19 HB3 ASP 2 1HB ASP 2 -2.988 7.254 2.967
20 H CYS 3 HN CYS 3 -1.731 3.475 1.672
21 HA CYS 3 HA CYS 3 -3.457 2.769 -0.590
22 HB2 CYS 3 2HB CYS 3 -0.883 1.500 0.271
23 HB3 CYS 3 1HB CYS 3 -1.895 0.906 -1.038
24 H CYS 4 HN CYS 4 -3.095 2.525 2.699
25 HA CYS 4 HA CYS 4 -3.935 -0.216 2.960
26 HB2 CYS 4 2HB CYS 4 -2.318 0.742 4.539
27 HB3 CYS 4 1HB CYS 4 -3.488 1.941 5.047
28 H THR 5 HN THR 5 -5.475 2.742 2.454
29 HA THR 5 HA THR 5 -7.809 2.237 3.944
30 HB THR 5 HB THR 5 -7.481 4.034 1.524
31 HG1 THR 5 1HG THR 5 -6.370 5.261 2.733
32 HG21 THR 5 1HG2 THR 5 -9.342 5.285 2.578
33 HG22 THR 5 2HG2 THR 5 -9.393 4.053 3.854
34 HG23 THR 5 3HG2 THR 5 -9.792 3.614 2.205
35 HA HYP 6 HA HYP 6 -9.131 -0.953 1.106
36 HB2 HYP 6 1HB HYP 6 -10.465 -2.160 2.505
37 HB3 HYP 6 2HB HYP 6 -11.734 -0.928 2.439
38 HG HYP 6 HG HYP 6 -10.939 -0.751 4.705
39 HD22 HYP 6 1HD1 HYP 6 -9.325 1.256 4.453
40 HD23 HYP 6 2HD1 HYP 6 -10.845 1.398 3.528
41 HD1 HYP 6 2HD HYP 6 -8.352 -0.451 4.125
42 HA HYP 7 HA HYP 7 -10.018 -2.202 -0.380
43 HB2 HYP 7 1HB HYP 7 -10.526 -2.924 -2.505
44 HB3 HYP 7 2HB HYP 7 -9.822 -1.479 -3.248
45 HG HYP 7 HG HYP 7 -12.185 -1.183 -3.519
46 HD22 HYP 7 1HD1 HYP 7 -12.583 0.466 -1.470
47 HD23 HYP 7 2HD1 HYP 7 -11.181 0.812 -2.512
48 HD1 HYP 7 2HD HYP 7 -13.459 -1.363 -1.576
49 H LYS 8 HN LYS 8 -7.996 -2.663 -0.219
50 HA LYS 8 HA LYS 8 -6.147 -0.569 -0.064
51 HB2 LYS 8 2HB LYS 8 -5.678 -3.540 0.052
52 HB3 LYS 8 1HB LYS 8 -4.533 -2.299 0.544
53 HG2 LYS 8 2HG LYS 8 -6.237 -1.521 2.215
54 HG3 LYS 8 1HG LYS 8 -7.188 -2.930 1.787
55 HD2 LYS 8 2HD LYS 8 -5.368 -4.410 2.445
56 HD3 LYS 8 1HD LYS 8 -4.376 -3.014 2.870
57 HE2 LYS 8 2HE LYS 8 -6.044 -2.358 4.539
58 HE3 LYS 8 1HE LYS 8 -7.001 -3.780 4.139
59 HZ1 LYS 8 1HZ LYS 8 -4.273 -3.759 5.323
60 HZ2 LYS 8 2HZ LYS 8 -5.075 -5.147 4.827
61 HZ3 LYS 8 3HZ LYS 8 -5.708 -4.219 6.082
62 H LYS 9 HN LYS 9 -4.471 -0.047 -1.238
63 HA LYS 9 HA LYS 9 -4.624 -0.707 -4.072
64 HB2 LYS 9 2HB LYS 9 -2.935 1.357 -2.643
65 HB3 LYS 9 1HB LYS 9 -3.139 1.197 -4.377
66 HG2 LYS 9 2HG LYS 9 -5.473 1.803 -4.206
67 HG3 LYS 9 1HG LYS 9 -5.362 1.824 -2.448
68 HD2 LYS 9 2HD LYS 9 -5.283 4.089 -3.395
69 HD3 LYS 9 1HD LYS 9 -3.796 3.686 -2.542
70 HE2 LYS 9 2HE LYS 9 -3.338 4.852 -4.642
71 HE3 LYS 9 1HE LYS 9 -2.688 3.218 -4.671
72 HZ1 LYS 9 1HZ LYS 9 -5.221 4.111 -5.940
73 HZ2 LYS 9 2HZ LYS 9 -4.613 2.533 -5.984
74 HZ3 LYS 9 3HZ LYS 9 -3.778 3.784 -6.728
75 H CYS 10 HN CYS 10 -3.506 -2.494 -2.015
76 HA CYS 10 HA CYS 10 -0.677 -2.508 -2.043
77 HB2 CYS 10 2HB CYS 10 -2.592 -4.698 -1.266
78 HB3 CYS 10 1HB CYS 10 -0.886 -4.617 -0.840
79 H LYS 11 HN LYS 11 -2.624 -3.219 -4.577
80 HA LYS 11 HA LYS 11 -1.284 -5.570 -5.559
81 HB2 LYS 11 2HB LYS 11 -3.083 -3.576 -6.952
82 HB3 LYS 11 1HB LYS 11 -2.476 -5.054 -7.671
83 HG2 LYS 11 2HG LYS 11 -4.211 -4.998 -5.214
84 HG3 LYS 11 1HG LYS 11 -4.826 -5.165 -6.859
85 HD2 LYS 11 2HD LYS 11 -3.508 -7.207 -7.144
86 HD3 LYS 11 1HD LYS 11 -2.887 -7.036 -5.502
87 HE2 LYS 11 2HE LYS 11 -5.112 -7.285 -4.591
88 HE3 LYS 11 1HE LYS 11 -5.804 -7.320 -6.209
89 HZ1 LYS 11 1HZ LYS 11 -3.939 -9.353 -5.099
90 HZ2 LYS 11 2HZ LYS 11 -4.644 -9.408 -6.619
91 HZ3 LYS 11 3HZ LYS 11 -5.599 -9.529 -5.237
92 H ASP 12 HN ASP 12 -0.777 -2.174 -5.544
93 HA ASP 12 HA ASP 12 1.065 -2.347 -7.796
94 HB2 ASP 12 2HB ASP 12 -0.574 -0.463 -7.721
95 HB3 ASP 12 1HB ASP 12 0.242 0.122 -6.269
96 H ARG 13 HN ARG 13 3.221 -1.985 -7.604
97 HA ARG 13 HA ARG 13 4.349 -2.753 -5.179
98 HB2 ARG 13 2HB ARG 13 6.534 -2.393 -6.211
99 HB3 ARG 13 1HB ARG 13 5.454 -3.359 -7.194
100 HG2 ARG 13 2HG ARG 13 5.043 -1.436 -8.641
101 HG3 ARG 13 1HG ARG 13 6.092 -0.447 -7.622
102 HD2 ARG 13 2HD ARG 13 7.276 -1.271 -9.611
103 HD3 ARG 13 1HD ARG 13 7.978 -1.882 -8.119
104 HE ARG 13 HE ARG 13 6.212 -3.438 -9.889
105 HH11 ARG 13 1HH1 ARG 13 8.896 -3.297 -7.577
106 HH12 ARG 13 2HH1 ARG 13 9.309 -4.934 -7.735
107 HH21 ARG 13 1HH2 ARG 13 6.793 -5.687 -10.115
108 HH22 ARG 13 2HH2 ARG 13 8.093 -6.335 -9.239
109 H ARG 14 HN ARG 14 3.618 0.483 -6.295
110 HA ARG 14 HA ARG 14 5.497 1.816 -4.651
111 HB2 ARG 14 2HB ARG 14 2.805 2.655 -5.730
112 HB3 ARG 14 1HB ARG 14 3.833 3.730 -4.796
113 HG2 ARG 14 2HG ARG 14 5.529 3.686 -6.469
114 HG3 ARG 14 1HG ARG 14 4.699 2.403 -7.351
115 HD2 ARG 14 2HD ARG 14 4.376 4.618 -8.385
116 HD3 ARG 14 1HD ARG 14 2.865 3.891 -7.856
117 HE ARG 14 HE ARG 14 4.142 5.713 -6.014
118 HH11 ARG 14 1HH1 ARG 14 1.612 5.285 -8.497
119 HH12 ARG 14 2HH1 ARG 14 0.799 6.722 -8.108
120 HH21 ARG 14 1HH2 ARG 14 2.933 7.714 -5.466
121 HH22 ARG 14 2HH2 ARG 14 1.520 8.082 -6.330
122 H CYS 15 HN CYS 15 2.528 0.192 -4.031
123 HA CYS 15 HA CYS 15 2.261 1.336 -1.369
124 HB2 CYS 15 2HB CYS 15 0.520 -0.591 -2.896
125 HB3 CYS 15 1HB CYS 15 0.132 0.153 -1.350
126 H LYS 16 HN LYS 16 4.024 -1.039 -2.737
127 HA LYS 16 HA LYS 16 3.295 -3.244 -1.036
128 HB2 LYS 16 2HB LYS 16 4.088 -3.612 -3.336
129 HB3 LYS 16 1HB LYS 16 5.672 -2.994 -2.888
130 HG2 LYS 16 2HG LYS 16 5.939 -4.860 -1.325
131 HG3 LYS 16 1HG LYS 16 4.342 -5.456 -1.778
132 HD2 LYS 16 2HD LYS 16 5.117 -5.683 -4.108
133 HD3 LYS 16 1HD LYS 16 6.726 -5.170 -3.601
134 HE2 LYS 16 2HE LYS 16 5.262 -7.607 -2.588
135 HE3 LYS 16 1HE LYS 16 6.537 -7.614 -3.799
136 HZ1 LYS 16 1HZ LYS 16 7.416 -8.183 -1.618
137 HZ2 LYS 16 2HZ LYS 16 6.844 -6.753 -0.967
138 HZ3 LYS 16 3HZ LYS 16 8.054 -6.720 -2.134
139 HA HYP 17 HA HYP 17 7.527 -1.880 1.189
140 HB2 HYP 17 1HB HYP 17 8.455 0.012 0.166
141 HB3 HYP 17 2HB HYP 17 7.607 0.860 1.474
142 HG HYP 17 HG HYP 17 5.678 1.161 0.150
143 HD22 HYP 17 1HD1 HYP 17 7.094 -0.748 -1.733
144 HD23 HYP 17 2HD1 HYP 17 5.393 -0.214 -1.832
145 HD1 HYP 17 2HD HYP 17 6.242 1.907 -1.708
146 H LEU 18 HN LEU 18 4.382 -0.523 1.218
147 HA LEU 18 HA LEU 18 4.415 0.596 3.822
148 HB2 LEU 18 2HB LEU 18 2.086 -0.209 2.089
149 HB3 LEU 18 1HB LEU 18 2.002 0.824 3.502
150 HG LEU 18 HG LEU 18 3.444 1.481 0.932
151 HD11 LEU 18 1HD1 LEU 18 1.686 3.167 0.667
152 HD12 LEU 18 2HD1 LEU 18 0.854 2.484 2.072
153 HD13 LEU 18 3HD1 LEU 18 1.093 1.510 0.619
154 HD21 LEU 18 1HD2 LEU 18 4.541 2.521 2.845
155 HD22 LEU 18 2HD2 LEU 18 2.990 3.138 3.415
156 HD23 LEU 18 3HD2 LEU 18 3.673 3.733 1.901
157 H LYS 19 HN LYS 19 4.046 -0.366 5.678
158 HA LYS 19 HA LYS 19 4.237 -3.157 5.747
159 HB2 LYS 19 2HB LYS 19 4.052 -2.966 8.222
160 HB3 LYS 19 1HB LYS 19 5.295 -1.969 7.496
161 HG2 LYS 19 2HG LYS 19 3.863 -0.006 7.739
162 HG3 LYS 19 1HG LYS 19 2.602 -1.019 8.453
163 HD2 LYS 19 2HD LYS 19 4.090 -1.619 10.285
164 HD3 LYS 19 1HD LYS 19 5.391 -0.685 9.557
165 HE2 LYS 19 2HE LYS 19 4.331 0.535 11.389
166 HE3 LYS 19 1HE LYS 19 4.116 1.357 9.848
167 HZ1 LYS 19 1HZ LYS 19 1.864 0.543 9.735
168 HZ2 LYS 19 2HZ LYS 19 2.095 1.329 11.189
169 HZ3 LYS 19 3HZ LYS 19 2.052 -0.351 11.154
170 H CYS 20 HN CYS 20 1.436 -1.184 5.702
171 HA CYS 20 HA CYS 20 -0.342 -3.135 6.767
172 HB2 CYS 20 2HB CYS 20 -0.991 -0.770 6.586
173 HB3 CYS 20 1HB CYS 20 -0.911 -0.878 4.830
174 H CYS 21 HN CYS 21 1.221 -2.746 3.693
175 HA CYS 21 HA CYS 21 -0.553 -4.678 2.448
176 HB2 CYS 21 2HB CYS 21 1.698 -3.008 1.321
177 HB3 CYS 21 1HB CYS 21 0.702 -4.113 0.383
178 H ALA 22 HN ALA 22 2.157 -4.626 4.288
179 HA ALA 22 HA ALA 22 3.418 -6.903 3.005
180 HB1 ALA 22 2HB ALA 22 5.166 -6.643 4.729
181 HB2 ALA 22 3HB ALA 22 4.223 -5.363 5.487
182 HB3 ALA 22 1HB ALA 22 4.886 -5.126 3.872
183 HN1 NH2 23 2H ALA 22 2.128 -7.837 6.766
184 HN2 NH2 23 1H ALA 22 3.039 -6.403 6.459
Start of MODEL 11
1 H1 ARG 1 1HT ARG 1 0.152 9.358 -1.762
2 H2 ARG 1 2HT ARG 1 -0.490 10.293 -0.545
3 H3 ARG 1 3HT ARG 1 -0.669 10.780 -2.173
4 HA ARG 1 HA ARG 1 -2.708 9.821 -1.297
5 HB2 ARG 1 2HB ARG 1 -2.204 9.405 -3.703
6 HB3 ARG 1 1HB ARG 1 -1.235 8.015 -3.206
7 HG2 ARG 1 2HG ARG 1 -3.379 7.292 -4.108
8 HG3 ARG 1 1HG ARG 1 -3.201 6.855 -2.412
9 HD2 ARG 1 2HD ARG 1 -4.541 8.951 -1.884
10 HD3 ARG 1 1HD ARG 1 -4.894 9.042 -3.609
11 HE ARG 1 HE ARG 1 -5.450 6.470 -2.672
12 HH11 ARG 1 1HH1 ARG 1 -6.825 9.745 -2.409
13 HH12 ARG 1 2HH1 ARG 1 -8.409 9.174 -2.158
14 HH21 ARG 1 1HH2 ARG 1 -7.635 5.753 -2.290
15 HH22 ARG 1 2HH2 ARG 1 -8.887 6.890 -2.077
16 H ASP 2 HN ASP 2 -3.406 8.623 0.352
17 HA ASP 2 HA ASP 2 -1.683 6.653 1.494
18 HB2 ASP 2 2HB ASP 2 -3.416 6.245 3.131
19 HB3 ASP 2 1HB ASP 2 -3.365 7.993 2.887
20 H CYS 3 HN CYS 3 -1.832 4.573 1.245
21 HA CYS 3 HA CYS 3 -3.691 3.599 -0.801
22 HB2 CYS 3 2HB CYS 3 -1.246 3.431 -1.255
23 HB3 CYS 3 1HB CYS 3 -1.098 2.372 0.137
24 H CYS 4 HN CYS 4 -2.506 3.116 2.468
25 HA CYS 4 HA CYS 4 -3.379 0.502 2.967
26 HB2 CYS 4 2HB CYS 4 -3.009 2.761 4.927
27 HB3 CYS 4 1HB CYS 4 -3.116 1.053 5.334
28 H THR 5 HN THR 5 -5.293 3.426 2.967
29 HA THR 5 HA THR 5 -7.317 2.371 4.608
30 HB THR 5 HB THR 5 -7.593 4.512 2.465
31 HG1 THR 5 1HG THR 5 -6.245 5.450 3.583
32 HG21 THR 5 1HG2 THR 5 -9.433 5.300 3.870
33 HG22 THR 5 2HG2 THR 5 -9.071 4.017 5.038
34 HG23 THR 5 3HG2 THR 5 -9.678 3.592 3.450
35 HA HYP 6 HA HYP 6 -8.420 -0.725 1.526
36 HB2 HYP 6 1HB HYP 6 -9.307 -2.262 2.954
37 HB3 HYP 6 2HB HYP 6 -10.792 -1.309 3.107
38 HG HYP 6 HG HYP 6 -9.839 -1.147 5.316
39 HD22 HYP 6 1HD1 HYP 6 -8.630 1.124 5.122
40 HD23 HYP 6 2HD1 HYP 6 -10.222 1.076 4.305
41 HD1 HYP 6 2HD HYP 6 -7.454 -0.375 4.345
42 HA HYP 7 HA HYP 7 -9.411 -1.990 -0.038
43 HB2 HYP 7 1HB HYP 7 -10.401 -2.454 -2.035
44 HB3 HYP 7 2HB HYP 7 -9.610 -1.058 -2.776
45 HG HYP 7 HG HYP 7 -11.869 -0.366 -2.855
46 HD22 HYP 7 1HD1 HYP 7 -12.142 0.909 -0.541
47 HD23 HYP 7 2HD1 HYP 7 -10.708 1.313 -1.519
48 HD1 HYP 7 2HD HYP 7 -12.191 -1.449 -0.320
49 H LYS 8 HN LYS 8 -7.308 -2.270 -0.356
50 HA LYS 8 HA LYS 8 -5.707 0.078 -1.016
51 HB2 LYS 8 2HB LYS 8 -3.919 -1.270 0.350
52 HB3 LYS 8 1HB LYS 8 -5.123 -0.288 1.171
53 HG2 LYS 8 2HG LYS 8 -6.452 -2.165 1.574
54 HG3 LYS 8 1HG LYS 8 -5.355 -3.228 0.679
55 HD2 LYS 8 2HD LYS 8 -3.603 -2.753 2.372
56 HD3 LYS 8 1HD LYS 8 -4.720 -1.677 3.219
57 HE2 LYS 8 2HE LYS 8 -6.214 -3.548 3.656
58 HE3 LYS 8 1HE LYS 8 -5.148 -4.631 2.769
59 HZ1 LYS 8 1HZ LYS 8 -3.425 -4.218 4.439
60 HZ2 LYS 8 2HZ LYS 8 -4.818 -4.831 5.139
61 HZ3 LYS 8 3HZ LYS 8 -4.463 -3.215 5.308
62 H LYS 9 HN LYS 9 -4.266 -0.023 -2.537
63 HA LYS 9 HA LYS 9 -4.235 -2.388 -4.214
64 HB2 LYS 9 2HB LYS 9 -3.144 0.381 -4.649
65 HB3 LYS 9 1HB LYS 9 -2.779 -0.941 -5.740
66 HG2 LYS 9 2HG LYS 9 -5.542 0.062 -5.100
67 HG3 LYS 9 1HG LYS 9 -4.611 0.495 -6.535
68 HD2 LYS 9 2HD LYS 9 -4.543 -1.911 -7.153
69 HD3 LYS 9 1HD LYS 9 -5.570 -2.267 -5.766
70 HE2 LYS 9 2HE LYS 9 -6.294 -0.475 -8.080
71 HE3 LYS 9 1HE LYS 9 -6.865 -2.123 -7.835
72 HZ1 LYS 9 1HZ LYS 9 -7.920 -1.388 -5.781
73 HZ2 LYS 9 2HZ LYS 9 -8.493 -0.558 -7.123
74 HZ3 LYS 9 3HZ LYS 9 -7.424 0.204 -6.068
75 H CYS 10 HN CYS 10 -3.104 -3.318 -2.189
76 HA CYS 10 HA CYS 10 -0.330 -2.994 -1.815
77 HB2 CYS 10 2HB CYS 10 -2.013 -5.445 -1.430
78 HB3 CYS 10 1HB CYS 10 -0.472 -5.132 -0.652
79 H LYS 11 HN LYS 11 -2.134 -4.428 -4.277
80 HA LYS 11 HA LYS 11 -0.312 -6.291 -5.351
81 HB2 LYS 11 2HB LYS 11 -2.682 -6.290 -5.935
82 HB3 LYS 11 1HB LYS 11 -2.546 -4.680 -6.606
83 HG2 LYS 11 2HG LYS 11 -2.697 -6.343 -8.367
84 HG3 LYS 11 1HG LYS 11 -1.134 -5.530 -8.395
85 HD2 LYS 11 2HD LYS 11 -0.837 -7.898 -8.798
86 HD3 LYS 11 1HD LYS 11 -0.136 -7.463 -7.246
87 HE2 LYS 11 2HE LYS 11 -1.357 -9.586 -7.118
88 HE3 LYS 11 1HE LYS 11 -2.088 -8.360 -6.090
89 HZ1 LYS 11 1HZ LYS 11 -3.795 -8.022 -7.738
90 HZ2 LYS 11 2HZ LYS 11 -3.734 -9.622 -7.291
91 HZ3 LYS 11 3HZ LYS 11 -3.084 -9.147 -8.787
92 H ASP 12 HN ASP 12 -0.583 -2.795 -5.509
93 HA ASP 12 HA ASP 12 1.234 -2.524 -7.749
94 HB2 ASP 12 2HB ASP 12 -0.659 -0.904 -7.345
95 HB3 ASP 12 1HB ASP 12 0.145 -0.405 -5.863
96 H ARG 13 HN ARG 13 3.329 -1.915 -7.566
97 HA ARG 13 HA ARG 13 4.865 -2.831 -5.437
98 HB2 ARG 13 2HB ARG 13 5.599 -0.774 -7.508
99 HB3 ARG 13 1HB ARG 13 6.721 -1.563 -6.425
100 HG2 ARG 13 2HG ARG 13 6.292 -3.702 -7.442
101 HG3 ARG 13 1HG ARG 13 5.036 -2.996 -8.467
102 HD2 ARG 13 2HD ARG 13 6.633 -1.614 -9.580
103 HD3 ARG 13 1HD ARG 13 7.908 -2.103 -8.469
104 HE ARG 13 HE ARG 13 6.923 -4.385 -9.687
105 HH11 ARG 13 1HH1 ARG 13 8.589 -1.425 -10.683
106 HH12 ARG 13 2HH1 ARG 13 9.463 -2.168 -11.945
107 HH21 ARG 13 1HH2 ARG 13 8.161 -5.411 -11.418
108 HH22 ARG 13 2HH2 ARG 13 9.216 -4.474 -12.370
109 H ARG 14 HN ARG 14 3.503 0.348 -5.999
110 HA ARG 14 HA ARG 14 5.142 1.802 -4.211
111 HB2 ARG 14 2HB ARG 14 2.347 2.337 -5.184
112 HB3 ARG 14 1HB ARG 14 3.331 3.491 -4.295
113 HG2 ARG 14 2HG ARG 14 4.939 3.567 -6.066
114 HG3 ARG 14 1HG ARG 14 4.097 2.280 -6.936
115 HD2 ARG 14 2HD ARG 14 3.559 4.447 -7.894
116 HD3 ARG 14 1HD ARG 14 2.142 3.712 -7.144
117 HE ARG 14 HE ARG 14 3.630 5.535 -5.481
118 HH11 ARG 14 1HH1 ARG 14 0.824 5.066 -7.602
119 HH12 ARG 14 2HH1 ARG 14 0.076 6.529 -7.127
120 HH21 ARG 14 1HH2 ARG 14 2.575 7.555 -4.871
121 HH22 ARG 14 2HH2 ARG 14 1.072 7.939 -5.568
122 H CYS 15 HN CYS 15 2.394 -0.254 -3.709
123 HA CYS 15 HA CYS 15 2.079 0.770 -0.993
124 HB2 CYS 15 2HB CYS 15 0.385 -1.184 -2.536
125 HB3 CYS 15 1HB CYS 15 -0.008 -0.478 -0.969
126 H LYS 16 HN LYS 16 3.919 -1.427 -2.541
127 HA LYS 16 HA LYS 16 3.438 -3.762 -0.955
128 HB2 LYS 16 2HB LYS 16 4.396 -3.697 -3.316
129 HB3 LYS 16 1HB LYS 16 5.899 -3.144 -2.624
130 HG2 LYS 16 2HG LYS 16 4.599 -5.814 -2.013
131 HG3 LYS 16 1HG LYS 16 5.837 -5.565 -3.231
132 HD2 LYS 16 2HD LYS 16 6.134 -5.183 -0.246
133 HD3 LYS 16 1HD LYS 16 6.793 -6.511 -1.201
134 HE2 LYS 16 2HE LYS 16 8.140 -4.845 -2.466
135 HE3 LYS 16 1HE LYS 16 7.530 -3.595 -1.389
136 HZ1 LYS 16 1HZ LYS 16 9.646 -4.263 -0.582
137 HZ2 LYS 16 2HZ LYS 16 9.263 -5.878 -0.714
138 HZ3 LYS 16 3HZ LYS 16 8.527 -4.955 0.482
139 HA HYP 17 HA HYP 17 7.498 -2.067 1.453
140 HB2 HYP 17 1HB HYP 17 8.352 -0.205 0.316
141 HB3 HYP 17 2HB HYP 17 7.539 0.654 1.641
142 HG HYP 17 HG HYP 17 5.549 0.886 0.377
143 HD22 HYP 17 1HD1 HYP 17 6.970 -0.956 -1.565
144 HD23 HYP 17 2HD1 HYP 17 5.246 -0.503 -1.581
145 HD1 HYP 17 2HD HYP 17 6.124 1.562 -1.605
146 H LEU 18 HN LEU 18 4.235 -1.085 1.491
147 HA LEU 18 HA LEU 18 4.287 0.277 4.025
148 HB2 LEU 18 2HB LEU 18 1.979 -0.631 2.320
149 HB3 LEU 18 1HB LEU 18 1.863 0.427 3.709
150 HG LEU 18 HG LEU 18 3.264 1.076 1.108
151 HD11 LEU 18 1HD1 LEU 18 1.466 2.700 0.821
152 HD12 LEU 18 2HD1 LEU 18 0.713 2.135 2.312
153 HD13 LEU 18 3HD1 LEU 18 0.833 1.057 0.922
154 HD21 LEU 18 1HD2 LEU 18 3.500 3.330 2.059
155 HD22 LEU 18 2HD2 LEU 18 4.378 2.132 3.001
156 HD23 LEU 18 3HD2 LEU 18 2.828 2.746 3.579
157 H LYS 19 HN LYS 19 3.732 -0.529 5.961
158 HA LYS 19 HA LYS 19 3.848 -3.340 6.299
159 HB2 LYS 19 2HB LYS 19 3.547 -2.893 8.722
160 HB3 LYS 19 1HB LYS 19 4.829 -1.932 8.007
161 HG2 LYS 19 2HG LYS 19 3.231 -0.014 7.898
162 HG3 LYS 19 1HG LYS 19 2.068 -1.025 8.757
163 HD2 LYS 19 2HD LYS 19 4.791 -0.241 9.809
164 HD3 LYS 19 1HD LYS 19 3.279 0.543 10.250
165 HE2 LYS 19 2HE LYS 19 2.468 -1.588 11.180
166 HE3 LYS 19 1HE LYS 19 3.996 -2.349 10.745
167 HZ1 LYS 19 1HZ LYS 19 5.128 -0.788 12.233
168 HZ2 LYS 19 2HZ LYS 19 3.996 -1.739 13.044
169 HZ3 LYS 19 3HZ LYS 19 3.636 -0.134 12.694
170 H CYS 20 HN CYS 20 1.254 -1.267 5.695
171 HA CYS 20 HA CYS 20 -0.834 -2.875 6.827
172 HB2 CYS 20 2HB CYS 20 -2.309 -1.488 5.407
173 HB3 CYS 20 1HB CYS 20 -1.221 -0.494 6.368
174 H CYS 21 HN CYS 21 1.228 -3.216 4.166
175 HA CYS 21 HA CYS 21 -0.625 -5.039 2.844
176 HB2 CYS 21 2HB CYS 21 1.389 -3.142 1.672
177 HB3 CYS 21 1HB CYS 21 0.641 -4.435 0.753
178 H ALA 22 HN ALA 22 0.599 -6.650 1.520
179 HA ALA 22 HA ALA 22 2.779 -7.722 3.063
180 HB1 ALA 22 2HB ALA 22 2.567 -9.652 1.547
181 HB2 ALA 22 3HB ALA 22 1.372 -8.765 0.600
182 HB3 ALA 22 1HB ALA 22 1.015 -9.219 2.265
183 HN1 NH2 23 2H ALA 22 5.219 -6.167 1.159
184 HN2 NH2 23 1H ALA 22 4.517 -6.483 2.700
Start of MODEL 12
1 H1 ARG 1 1HT ARG 1 -0.080 8.444 -2.420
2 H2 ARG 1 2HT ARG 1 0.327 8.009 -0.833
3 H3 ARG 1 3HT ARG 1 -1.224 8.482 -1.191
4 HA ARG 1 HA ARG 1 -1.639 6.613 -2.499
5 HB2 ARG 1 2HB ARG 1 0.054 4.770 -2.654
6 HB3 ARG 1 1HB ARG 1 0.515 6.218 -3.521
7 HG2 ARG 1 2HG ARG 1 1.977 6.817 -1.570
8 HG3 ARG 1 1HG ARG 1 1.592 5.237 -0.886
9 HD2 ARG 1 2HD ARG 1 2.492 4.163 -2.892
10 HD3 ARG 1 1HD ARG 1 2.881 5.749 -3.553
11 HE ARG 1 HE ARG 1 4.047 4.937 -0.999
12 HH11 ARG 1 1HH1 ARG 1 4.534 5.830 -4.411
13 HH12 ARG 1 2HH1 ARG 1 6.219 5.803 -4.320
14 HH21 ARG 1 1HH2 ARG 1 6.343 4.889 -0.879
15 HH22 ARG 1 2HH2 ARG 1 7.306 5.207 -2.242
16 H ASP 2 HN ASP 2 -3.171 6.035 -1.138
17 HA ASP 2 HA ASP 2 -2.362 5.054 1.482
18 HB2 ASP 2 2HB ASP 2 -5.086 5.928 0.482
19 HB3 ASP 2 1HB ASP 2 -4.802 5.202 2.059
20 H CYS 3 HN CYS 3 -2.041 3.023 1.535
21 HA CYS 3 HA CYS 3 -3.805 1.336 -0.022
22 HB2 CYS 3 2HB CYS 3 -0.857 1.006 0.368
23 HB3 CYS 3 1HB CYS 3 -1.894 -0.255 -0.312
24 H CYS 4 HN CYS 4 -3.114 2.122 3.012
25 HA CYS 4 HA CYS 4 -4.120 -0.483 3.869
26 HB2 CYS 4 2HB CYS 4 -2.882 1.764 5.455
27 HB3 CYS 4 1HB CYS 4 -3.758 0.443 6.226
28 H THR 5 HN THR 5 -5.017 2.790 3.366
29 HA THR 5 HA THR 5 -7.415 2.537 4.835
30 HB THR 5 HB THR 5 -6.732 4.569 2.700
31 HG1 THR 5 1HG THR 5 -6.371 4.701 5.521
32 HG21 THR 5 1HG2 THR 5 -9.070 4.420 3.401
33 HG22 THR 5 2HG2 THR 5 -8.344 5.939 3.955
34 HG23 THR 5 3HG2 THR 5 -8.579 4.588 5.078
35 HA HYP 6 HA HYP 6 -9.231 0.330 1.371
36 HB2 HYP 6 1HB HYP 6 -10.595 -1.070 2.564
37 HB3 HYP 6 2HB HYP 6 -11.724 0.252 2.884
38 HG HYP 6 HG HYP 6 -10.836 -0.209 5.064
39 HD22 HYP 6 1HD1 HYP 6 -8.975 1.587 5.195
40 HD23 HYP 6 2HD1 HYP 6 -10.495 2.143 4.436
41 HD1 HYP 6 2HD HYP 6 -8.269 -0.057 4.437
42 HA HYP 7 HA HYP 7 -10.688 -0.433 -0.109
43 HB2 HYP 7 1HB HYP 7 -11.808 -0.573 -2.123
44 HB3 HYP 7 2HB HYP 7 -10.967 0.850 -2.771
45 HG HYP 7 HG HYP 7 -13.202 1.622 -2.353
46 HD22 HYP 7 1HD1 HYP 7 -12.710 2.862 -0.054
47 HD23 HYP 7 2HD1 HYP 7 -11.547 3.131 -1.375
48 HD1 HYP 7 2HD HYP 7 -14.131 1.262 -0.358
49 H LYS 8 HN LYS 8 -8.767 -1.054 0.059
50 HA LYS 8 HA LYS 8 -6.631 0.636 -0.829
51 HB2 LYS 8 2HB LYS 8 -5.189 -1.073 0.364
52 HB3 LYS 8 1HB LYS 8 -6.231 -0.048 1.329
53 HG2 LYS 8 2HG LYS 8 -7.665 -1.738 1.815
54 HG3 LYS 8 1HG LYS 8 -7.100 -2.791 0.509
55 HD2 LYS 8 2HD LYS 8 -4.920 -2.983 1.725
56 HD3 LYS 8 1HD LYS 8 -5.557 -1.941 2.991
57 HE2 LYS 8 2HE LYS 8 -6.750 -4.602 2.239
58 HE3 LYS 8 1HE LYS 8 -5.555 -4.399 3.513
59 HZ1 LYS 8 1HZ LYS 8 -8.268 -3.157 3.461
60 HZ2 LYS 8 2HZ LYS 8 -7.107 -2.965 4.682
61 HZ3 LYS 8 3HZ LYS 8 -7.773 -4.466 4.393
62 H LYS 9 HN LYS 9 -5.116 0.171 -2.187
63 HA LYS 9 HA LYS 9 -5.597 -2.079 -3.987
64 HB2 LYS 9 2HB LYS 9 -4.525 0.681 -4.622
65 HB3 LYS 9 1HB LYS 9 -4.748 -0.618 -5.790
66 HG2 LYS 9 2HG LYS 9 -7.121 -0.559 -5.503
67 HG3 LYS 9 1HG LYS 9 -6.979 0.574 -4.162
68 HD2 LYS 9 2HD LYS 9 -6.056 2.250 -5.707
69 HD3 LYS 9 1HD LYS 9 -6.248 1.107 -7.038
70 HE2 LYS 9 2HE LYS 9 -8.095 2.722 -6.942
71 HE3 LYS 9 1HE LYS 9 -8.654 1.071 -6.701
72 HZ1 LYS 9 1HZ LYS 9 -9.695 2.617 -5.149
73 HZ2 LYS 9 2HZ LYS 9 -8.199 3.074 -4.545
74 HZ3 LYS 9 3HZ LYS 9 -8.758 1.496 -4.316
75 H CYS 10 HN CYS 10 -4.050 -3.516 -3.569
76 HA CYS 10 HA CYS 10 -1.430 -2.603 -2.601
77 HB2 CYS 10 2HB CYS 10 -2.799 -4.194 -1.226
78 HB3 CYS 10 1HB CYS 10 -2.665 -5.356 -2.537
79 H LYS 11 HN LYS 11 -2.770 -3.161 -5.398
80 HA LYS 11 HA LYS 11 -1.448 -5.164 -6.766
81 HB2 LYS 11 2HB LYS 11 -3.387 -4.003 -7.660
82 HB3 LYS 11 1HB LYS 11 -2.446 -2.527 -7.824
83 HG2 LYS 11 2HG LYS 11 -1.013 -3.644 -9.473
84 HG3 LYS 11 1HG LYS 11 -1.979 -5.105 -9.309
85 HD2 LYS 11 2HD LYS 11 -2.659 -3.893 -11.286
86 HD3 LYS 11 1HD LYS 11 -3.957 -3.847 -10.096
87 HE2 LYS 11 2HE LYS 11 -3.359 -1.575 -9.485
88 HE3 LYS 11 1HE LYS 11 -1.954 -1.627 -10.551
89 HZ1 LYS 11 1HZ LYS 11 -4.797 -1.793 -11.398
90 HZ2 LYS 11 2HZ LYS 11 -3.475 -1.897 -12.420
91 HZ3 LYS 11 3HZ LYS 11 -3.780 -0.459 -11.604
92 H ASP 12 HN ASP 12 -0.277 -1.895 -6.091
93 HA ASP 12 HA ASP 12 1.969 -2.477 -7.878
94 HB2 ASP 12 2HB ASP 12 0.643 -0.466 -8.455
95 HB3 ASP 12 1HB ASP 12 1.082 0.251 -6.914
96 H ARG 13 HN ARG 13 3.987 -2.238 -7.308
97 HA ARG 13 HA ARG 13 4.953 -2.966 -4.831
98 HB2 ARG 13 2HB ARG 13 7.166 -2.309 -5.703
99 HB3 ARG 13 1HB ARG 13 6.232 -3.240 -6.868
100 HG2 ARG 13 2HG ARG 13 5.618 -1.175 -8.030
101 HG3 ARG 13 1HG ARG 13 6.545 -0.246 -6.859
102 HD2 ARG 13 2HD ARG 13 8.585 -1.386 -7.586
103 HD3 ARG 13 1HD ARG 13 7.643 -2.308 -8.762
104 HE ARG 13 HE ARG 13 7.034 0.256 -9.316
105 HH11 ARG 13 1HH1 ARG 13 10.098 -1.529 -9.127
106 HH12 ARG 13 2HH1 ARG 13 10.923 -0.562 -10.236
107 HH21 ARG 13 1HH2 ARG 13 8.183 1.627 -10.895
108 HH22 ARG 13 2HH2 ARG 13 9.799 1.261 -11.283
109 H ARG 14 HN ARG 14 4.147 0.224 -5.946
110 HA ARG 14 HA ARG 14 5.676 1.824 -4.270
111 HB2 ARG 14 2HB ARG 14 3.975 3.549 -4.610
112 HB3 ARG 14 1HB ARG 14 4.311 2.702 -6.111
113 HG2 ARG 14 2HG ARG 14 2.275 1.309 -5.674
114 HG3 ARG 14 1HG ARG 14 1.902 2.391 -4.335
115 HD2 ARG 14 2HD ARG 14 1.844 4.282 -5.882
116 HD3 ARG 14 1HD ARG 14 2.214 3.195 -7.225
117 HE ARG 14 HE ARG 14 -0.186 2.744 -5.612
118 HH11 ARG 14 1HH1 ARG 14 1.223 3.544 -8.800
119 HH12 ARG 14 2HH1 ARG 14 -0.287 3.521 -9.577
120 HH21 ARG 14 1HH2 ARG 14 -2.173 2.694 -6.709
121 HH22 ARG 14 2HH2 ARG 14 -2.259 2.984 -8.381
122 H CYS 15 HN CYS 15 2.886 -0.116 -3.553
123 HA CYS 15 HA CYS 15 2.727 1.075 -0.897
124 HB2 CYS 15 2HB CYS 15 0.768 -0.580 -2.453
125 HB3 CYS 15 1HB CYS 15 0.532 -0.116 -0.768
126 H LYS 16 HN LYS 16 4.525 -1.082 -2.097
127 HA LYS 16 HA LYS 16 3.898 -3.355 -0.422
128 HB2 LYS 16 2HB LYS 16 4.838 -3.623 -2.723
129 HB3 LYS 16 1HB LYS 16 6.346 -2.931 -2.154
130 HG2 LYS 16 2HG LYS 16 6.644 -4.798 -0.620
131 HG3 LYS 16 1HG LYS 16 5.103 -5.481 -1.130
132 HD2 LYS 16 2HD LYS 16 7.498 -5.034 -2.915
133 HD3 LYS 16 1HD LYS 16 7.044 -6.580 -2.208
134 HE2 LYS 16 2HE LYS 16 5.392 -4.973 -4.182
135 HE3 LYS 16 1HE LYS 16 6.314 -6.424 -4.541
136 HZ1 LYS 16 1HZ LYS 16 3.944 -6.893 -4.226
137 HZ2 LYS 16 2HZ LYS 16 4.009 -6.296 -2.666
138 HZ3 LYS 16 3HZ LYS 16 4.871 -7.683 -3.069
139 HA HYP 17 HA HYP 17 7.508 -1.440 2.211
140 HB2 HYP 17 1HB HYP 17 8.466 0.451 1.186
141 HB3 HYP 17 2HB HYP 17 7.405 1.320 2.310
142 HG HYP 17 HG HYP 17 5.671 1.468 0.697
143 HD22 HYP 17 1HD1 HYP 17 7.368 -0.493 -0.864
144 HD23 HYP 17 2HD1 HYP 17 5.662 -0.075 -1.156
145 HD1 HYP 17 2HD HYP 17 6.494 2.075 -1.155
146 H LEU 18 HN LEU 18 4.339 -0.428 1.648
147 HA LEU 18 HA LEU 18 3.765 0.725 4.207
148 HB2 LEU 18 2HB LEU 18 1.980 -0.157 1.939
149 HB3 LEU 18 1HB LEU 18 1.410 0.725 3.335
150 HG LEU 18 HG LEU 18 3.328 1.743 1.226
151 HD11 LEU 18 1HD1 LEU 18 1.047 1.668 0.463
152 HD12 LEU 18 2HD1 LEU 18 1.523 3.340 0.754
153 HD13 LEU 18 3HD1 LEU 18 0.494 2.501 1.914
154 HD21 LEU 18 1HD2 LEU 18 3.930 2.652 3.398
155 HD22 LEU 18 2HD2 LEU 18 2.254 3.107 3.696
156 HD23 LEU 18 3HD2 LEU 18 3.167 3.898 2.413
157 H LYS 19 HN LYS 19 2.675 -0.225 5.851
158 HA LYS 19 HA LYS 19 3.521 -2.687 6.635
159 HB2 LYS 19 2HB LYS 19 2.668 -1.007 8.162
160 HB3 LYS 19 1HB LYS 19 1.035 -1.267 7.568
161 HG2 LYS 19 2HG LYS 19 1.147 -3.590 8.392
162 HG3 LYS 19 1HG LYS 19 2.750 -3.241 9.039
163 HD2 LYS 19 2HD LYS 19 1.811 -1.509 10.461
164 HD3 LYS 19 1HD LYS 19 0.209 -1.829 9.807
165 HE2 LYS 19 2HE LYS 19 0.451 -2.924 11.942
166 HE3 LYS 19 1HE LYS 19 0.338 -4.130 10.665
167 HZ1 LYS 19 1HZ LYS 19 2.731 -4.447 10.772
168 HZ2 LYS 19 2HZ LYS 19 2.085 -4.591 12.340
169 HZ3 LYS 19 3HZ LYS 19 2.861 -3.188 11.879
170 H CYS 20 HN CYS 20 0.372 -2.018 5.184
171 HA CYS 20 HA CYS 20 -0.703 -4.593 5.583
172 HB2 CYS 20 2HB CYS 20 -1.463 -2.521 3.535
173 HB3 CYS 20 1HB CYS 20 -2.455 -3.880 4.059
174 H CYS 21 HN CYS 21 1.648 -3.531 3.308
175 HA CYS 21 HA CYS 21 1.156 -5.961 1.762
176 HB2 CYS 21 2HB CYS 21 1.973 -3.265 0.705
177 HB3 CYS 21 1HB CYS 21 1.911 -4.745 -0.245
178 H ALA 22 HN ALA 22 3.088 -4.870 3.963
179 HA ALA 22 HA ALA 22 5.630 -5.089 2.610
180 HB1 ALA 22 2HB ALA 22 6.614 -4.599 4.789
181 HB2 ALA 22 3HB ALA 22 5.032 -4.750 5.551
182 HB3 ALA 22 1HB ALA 22 5.339 -3.441 4.409
183 HN1 NH2 23 2H ALA 22 5.685 -8.570 2.918
184 HN2 NH2 23 1H ALA 22 5.436 -7.212 1.875
Start of MODEL 13
1 H1 ARG 1 1HT ARG 1 2.802 8.119 -0.232
2 H2 ARG 1 2HT ARG 1 2.426 6.968 0.946
3 H3 ARG 1 3HT ARG 1 1.391 8.255 0.670
4 HA ARG 1 HA ARG 1 0.811 7.492 -1.449
5 HB2 ARG 1 2HB ARG 1 2.955 6.420 -2.061
6 HB3 ARG 1 1HB ARG 1 2.683 5.182 -0.850
7 HG2 ARG 1 2HG ARG 1 2.216 4.378 -3.113
8 HG3 ARG 1 1HG ARG 1 0.779 4.340 -2.094
9 HD2 ARG 1 2HD ARG 1 -0.049 6.361 -3.112
10 HD3 ARG 1 1HD ARG 1 1.426 6.542 -4.058
11 HE ARG 1 HE ARG 1 0.786 4.459 -5.190
12 HH11 ARG 1 1HH1 ARG 1 -1.830 6.263 -3.560
13 HH12 ARG 1 2HH1 ARG 1 -3.017 5.763 -4.650
14 HH21 ARG 1 1HH2 ARG 1 -0.859 3.813 -6.683
15 HH22 ARG 1 2HH2 ARG 1 -2.466 4.334 -6.480
16 H ASP 2 HN ASP 2 -1.179 7.300 -0.695
17 HA ASP 2 HA ASP 2 -1.799 5.486 1.409
18 HB2 ASP 2 2HB ASP 2 -3.497 7.318 -0.258
19 HB3 ASP 2 1HB ASP 2 -4.214 6.147 0.841
20 H CYS 3 HN CYS 3 -1.779 3.525 1.074
21 HA CYS 3 HA CYS 3 -3.044 2.456 -1.341
22 HB2 CYS 3 2HB CYS 3 -0.694 1.880 -1.196
23 HB3 CYS 3 1HB CYS 3 -0.921 1.261 0.432
24 H CYS 4 HN CYS 4 -2.869 2.402 2.137
25 HA CYS 4 HA CYS 4 -4.568 0.140 2.429
26 HB2 CYS 4 2HB CYS 4 -3.549 2.114 4.469
27 HB3 CYS 4 1HB CYS 4 -4.366 0.594 4.828
28 H THR 5 HN THR 5 -5.572 2.611 1.062
29 HA THR 5 HA THR 5 -7.681 3.547 2.718
30 HB THR 5 HB THR 5 -7.446 3.724 -0.294
31 HG1 THR 5 1HG THR 5 -6.101 5.063 1.798
32 HG21 THR 5 1HG2 THR 5 -8.735 5.485 1.780
33 HG22 THR 5 2HG2 THR 5 -9.584 4.345 0.754
34 HG23 THR 5 3HG2 THR 5 -8.788 5.760 0.029
35 HA HYP 6 HA HYP 6 -9.691 -0.422 1.944
36 HB2 HYP 6 1HB HYP 6 -10.678 -0.593 3.989
37 HB3 HYP 6 2HB HYP 6 -11.977 0.481 3.455
38 HG HYP 6 HG HYP 6 -10.928 1.838 5.136
39 HD22 HYP 6 1HD1 HYP 6 -9.246 3.220 3.724
40 HD23 HYP 6 2HD1 HYP 6 -10.850 2.997 2.970
41 HD1 HYP 6 2HD HYP 6 -8.432 1.500 4.267
42 HA HYP 7 HA HYP 7 -10.700 -2.043 1.195
43 HB2 HYP 7 1HB HYP 7 -12.200 -3.339 0.034
44 HB3 HYP 7 2HB HYP 7 -11.358 -2.901 -1.455
45 HG HYP 7 HG HYP 7 -13.428 -1.912 -1.920
46 HD22 HYP 7 1HD1 HYP 7 -13.295 0.478 -0.707
47 HD23 HYP 7 2HD1 HYP 7 -11.975 0.029 -1.814
48 HD1 HYP 7 2HD HYP 7 -14.533 -0.900 -0.100
49 H LYS 8 HN LYS 8 -8.719 -2.348 1.068
50 HA LYS 8 HA LYS 8 -7.202 -0.850 -0.883
51 HB2 LYS 8 2HB LYS 8 -5.293 -1.508 0.616
52 HB3 LYS 8 1HB LYS 8 -6.493 -0.413 1.299
53 HG2 LYS 8 2HG LYS 8 -7.479 -2.139 2.530
54 HG3 LYS 8 1HG LYS 8 -6.533 -3.379 1.730
55 HD2 LYS 8 2HD LYS 8 -4.470 -2.251 2.748
56 HD3 LYS 8 1HD LYS 8 -5.579 -1.194 3.618
57 HE2 LYS 8 2HE LYS 8 -4.826 -2.983 5.061
58 HE3 LYS 8 1HE LYS 8 -6.551 -3.146 4.742
59 HZ1 LYS 8 1HZ LYS 8 -4.381 -4.664 3.412
60 HZ2 LYS 8 2HZ LYS 8 -6.022 -4.826 3.074
61 HZ3 LYS 8 3HZ LYS 8 -5.427 -5.276 4.578
62 H LYS 9 HN LYS 9 -5.725 -1.736 -2.230
63 HA LYS 9 HA LYS 9 -5.318 -4.603 -2.127
64 HB2 LYS 9 2HB LYS 9 -5.573 -4.890 -4.523
65 HB3 LYS 9 1HB LYS 9 -7.045 -4.158 -3.918
66 HG2 LYS 9 2HG LYS 9 -6.355 -1.985 -4.799
67 HG3 LYS 9 1HG LYS 9 -4.810 -2.658 -5.287
68 HD2 LYS 9 2HD LYS 9 -6.238 -2.483 -7.225
69 HD3 LYS 9 1HD LYS 9 -6.005 -4.184 -6.839
70 HE2 LYS 9 2HE LYS 9 -8.314 -3.787 -7.421
71 HE3 LYS 9 1HE LYS 9 -8.209 -4.193 -5.713
72 HZ1 LYS 9 1HZ LYS 9 -9.702 -2.369 -6.064
73 HZ2 LYS 9 2HZ LYS 9 -8.530 -1.460 -6.853
74 HZ3 LYS 9 3HZ LYS 9 -8.369 -1.806 -5.206
75 H CYS 10 HN CYS 10 -3.237 -5.076 -2.375
76 HA CYS 10 HA CYS 10 -1.395 -2.899 -2.763
77 HB2 CYS 10 2HB CYS 10 -0.901 -5.843 -2.359
78 HB3 CYS 10 1HB CYS 10 0.354 -4.619 -2.442
79 H LYS 11 HN LYS 11 -1.973 -2.361 -4.854
80 HA LYS 11 HA LYS 11 -0.975 -4.248 -6.868
81 HB2 LYS 11 2HB LYS 11 -3.351 -3.803 -7.132
82 HB3 LYS 11 1HB LYS 11 -3.053 -2.076 -7.159
83 HG2 LYS 11 2HG LYS 11 -1.787 -2.343 -9.240
84 HG3 LYS 11 1HG LYS 11 -2.133 -4.072 -9.211
85 HD2 LYS 11 2HD LYS 11 -4.500 -3.639 -9.398
86 HD3 LYS 11 1HD LYS 11 -4.222 -1.898 -9.294
87 HE2 LYS 11 2HE LYS 11 -2.903 -1.994 -11.348
88 HE3 LYS 11 1HE LYS 11 -3.201 -3.727 -11.452
89 HZ1 LYS 11 1HZ LYS 11 -5.301 -1.637 -11.519
90 HZ2 LYS 11 2HZ LYS 11 -5.539 -3.291 -11.721
91 HZ3 LYS 11 3HZ LYS 11 -4.666 -2.415 -12.863
92 H ASP 12 HN ASP 12 -0.841 -1.010 -5.623
93 HA ASP 12 HA ASP 12 0.854 -0.021 -7.729
94 HB2 ASP 12 2HB ASP 12 -0.701 1.374 -6.254
95 HB3 ASP 12 1HB ASP 12 0.482 1.147 -4.969
96 H ARG 13 HN ARG 13 3.085 0.043 -7.679
97 HA ARG 13 HA ARG 13 4.414 -1.879 -6.092
98 HB2 ARG 13 2HB ARG 13 5.654 0.399 -7.605
99 HB3 ARG 13 1HB ARG 13 6.456 -1.061 -7.039
100 HG2 ARG 13 2HG ARG 13 4.956 -2.377 -8.544
101 HG3 ARG 13 1HG ARG 13 4.355 -0.849 -9.181
102 HD2 ARG 13 2HD ARG 13 6.081 -1.700 -10.636
103 HD3 ARG 13 1HD ARG 13 6.650 -0.237 -9.826
104 HE ARG 13 HE ARG 13 7.352 -2.551 -8.377
105 HH11 ARG 13 1HH1 ARG 13 8.340 -0.574 -11.122
106 HH12 ARG 13 2HH1 ARG 13 9.921 -1.182 -11.206
107 HH21 ARG 13 1HH2 ARG 13 9.520 -3.401 -8.458
108 HH22 ARG 13 2HH2 ARG 13 10.629 -2.848 -9.630
109 H ARG 14 HN ARG 14 3.855 1.517 -5.690
110 HA ARG 14 HA ARG 14 5.877 1.975 -3.724
111 HB2 ARG 14 2HB ARG 14 3.408 3.506 -4.505
112 HB3 ARG 14 1HB ARG 14 4.589 4.093 -3.337
113 HG2 ARG 14 2HG ARG 14 6.253 4.291 -5.016
114 HG3 ARG 14 1HG ARG 14 5.281 3.374 -6.170
115 HD2 ARG 14 2HD ARG 14 4.480 6.030 -5.003
116 HD3 ARG 14 1HD ARG 14 5.254 5.832 -6.579
117 HE ARG 14 HE ARG 14 3.021 4.153 -6.452
118 HH11 ARG 14 1HH1 ARG 14 3.602 7.675 -6.493
119 HH12 ARG 14 2HH1 ARG 14 2.199 8.002 -7.413
120 HH21 ARG 14 1HH2 ARG 14 1.136 4.656 -7.707
121 HH22 ARG 14 2HH2 ARG 14 0.797 6.276 -8.134
122 H CYS 15 HN CYS 15 3.050 0.242 -3.661
123 HA CYS 15 HA CYS 15 2.324 0.829 -0.927
124 HB2 CYS 15 2HB CYS 15 0.565 0.433 -2.570
125 HB3 CYS 15 1HB CYS 15 1.263 -1.123 -2.977
126 H LYS 16 HN LYS 16 4.486 -1.177 -2.635
127 HA LYS 16 HA LYS 16 4.174 -3.495 -1.001
128 HB2 LYS 16 2HB LYS 16 4.924 -3.756 -3.282
129 HB3 LYS 16 1HB LYS 16 6.339 -2.768 -2.964
130 HG2 LYS 16 2HG LYS 16 7.332 -4.450 -1.631
131 HG3 LYS 16 1HG LYS 16 5.827 -5.367 -1.554
132 HD2 LYS 16 2HD LYS 16 7.401 -6.397 -3.119
133 HD3 LYS 16 1HD LYS 16 5.953 -5.805 -3.928
134 HE2 LYS 16 2HE LYS 16 7.201 -3.792 -4.626
135 HE3 LYS 16 1HE LYS 16 8.647 -4.455 -3.858
136 HZ1 LYS 16 1HZ LYS 16 7.140 -5.715 -6.062
137 HZ2 LYS 16 2HZ LYS 16 8.561 -6.317 -5.388
138 HZ3 LYS 16 3HZ LYS 16 8.577 -4.864 -6.251
139 HA HYP 17 HA HYP 17 8.144 -1.726 1.357
140 HB2 HYP 17 1HB HYP 17 8.956 0.161 0.207
141 HB3 HYP 17 2HB HYP 17 8.117 1.005 1.529
142 HG HYP 17 HG HYP 17 6.116 1.156 0.265
143 HD22 HYP 17 1HD1 HYP 17 7.605 -0.645 -1.663
144 HD23 HYP 17 2HD1 HYP 17 5.866 -0.242 -1.697
145 HD1 HYP 17 2HD HYP 17 6.563 1.916 -1.588
146 H LEU 18 HN LEU 18 4.847 -1.044 1.398
147 HA LEU 18 HA LEU 18 4.811 0.228 4.002
148 HB2 LEU 18 2HB LEU 18 2.511 -0.625 2.245
149 HB3 LEU 18 1HB LEU 18 2.403 0.372 3.679
150 HG LEU 18 HG LEU 18 3.711 1.145 1.065
151 HD11 LEU 18 1HD1 LEU 18 1.278 1.112 0.979
152 HD12 LEU 18 2HD1 LEU 18 1.899 2.760 0.911
153 HD13 LEU 18 3HD1 LEU 18 1.205 2.140 2.409
154 HD21 LEU 18 1HD2 LEU 18 3.985 3.344 2.063
155 HD22 LEU 18 2HD2 LEU 18 4.886 2.131 2.971
156 HD23 LEU 18 3HD2 LEU 18 3.350 2.745 3.594
157 H LYS 19 HN LYS 19 4.606 -0.862 5.789
158 HA LYS 19 HA LYS 19 4.550 -3.712 5.761
159 HB2 LYS 19 2HB LYS 19 4.287 -1.830 8.108
160 HB3 LYS 19 1HB LYS 19 4.680 -3.544 8.177
161 HG2 LYS 19 2HG LYS 19 6.755 -3.074 6.895
162 HG3 LYS 19 1HG LYS 19 6.362 -1.360 6.966
163 HD2 LYS 19 2HD LYS 19 7.958 -1.887 8.688
164 HD3 LYS 19 1HD LYS 19 6.412 -1.483 9.430
165 HE2 LYS 19 2HE LYS 19 7.431 -3.430 10.511
166 HE3 LYS 19 1HE LYS 19 5.919 -3.870 9.733
167 HZ1 LYS 19 1HZ LYS 19 8.656 -4.361 8.695
168 HZ2 LYS 19 2HZ LYS 19 7.264 -4.679 7.827
169 HZ3 LYS 19 3HZ LYS 19 7.567 -5.521 9.255
170 H CYS 20 HN CYS 20 2.292 -1.207 6.055
171 HA CYS 20 HA CYS 20 0.095 -2.569 7.151
172 HB2 CYS 20 2HB CYS 20 0.121 -0.163 7.013
173 HB3 CYS 20 1HB CYS 20 0.316 -0.215 5.270
174 H CYS 21 HN CYS 21 1.601 -2.652 4.030
175 HA CYS 21 HA CYS 21 -0.673 -3.763 2.660
176 HB2 CYS 21 2HB CYS 21 0.724 -2.387 1.323
177 HB3 CYS 21 1HB CYS 21 2.176 -3.173 1.915
178 H ALA 22 HN ALA 22 2.556 -4.840 3.652
179 HA ALA 22 HA ALA 22 1.843 -7.587 3.043
180 HB1 ALA 22 2HB ALA 22 4.457 -6.415 4.001
181 HB2 ALA 22 3HB ALA 22 4.036 -6.742 2.321
182 HB3 ALA 22 1HB ALA 22 4.204 -8.075 3.463
183 HN1 NH2 23 2H ALA 22 0.760 -8.067 6.329
184 HN2 NH2 23 1H ALA 22 0.322 -7.860 4.667
Start of MODEL 14
1 H1 ARG 1 1HT ARG 1 -1.181 8.643 -3.241
2 H2 ARG 1 2HT ARG 1 -0.864 9.794 -2.069
3 H3 ARG 1 3HT ARG 1 -1.778 10.225 -3.423
4 HA ARG 1 HA ARG 1 -3.116 9.918 -1.429
5 HB2 ARG 1 2HB ARG 1 -4.765 8.383 -2.389
6 HB3 ARG 1 1HB ARG 1 -4.087 9.389 -3.653
7 HG2 ARG 1 2HG ARG 1 -2.640 7.528 -4.336
8 HG3 ARG 1 1HG ARG 1 -3.351 6.528 -3.066
9 HD2 ARG 1 2HD ARG 1 -4.819 7.777 -5.380
10 HD3 ARG 1 1HD ARG 1 -4.389 6.076 -5.232
11 HE ARG 1 HE ARG 1 -5.831 6.579 -2.999
12 HH11 ARG 1 1HH1 ARG 1 -6.450 6.987 -6.455
13 HH12 ARG 1 2HH1 ARG 1 -8.131 6.807 -6.335
14 HH21 ARG 1 1HH2 ARG 1 -8.166 6.344 -2.808
15 HH22 ARG 1 2HH2 ARG 1 -9.130 6.497 -4.194
16 H ASP 2 HN ASP 2 -3.933 8.347 0.155
17 HA ASP 2 HA ASP 2 -1.779 6.677 1.085
18 HB2 ASP 2 2HB ASP 2 -4.592 6.940 2.176
19 HB3 ASP 2 1HB ASP 2 -3.305 6.034 2.938
20 H CYS 3 HN CYS 3 -1.421 4.823 0.189
21 HA CYS 3 HA CYS 3 -3.330 3.378 -1.328
22 HB2 CYS 3 2HB CYS 3 -0.885 3.303 -1.754
23 HB3 CYS 3 1HB CYS 3 -0.661 2.462 -0.228
24 H CYS 4 HN CYS 4 -2.388 3.401 1.986
25 HA CYS 4 HA CYS 4 -3.362 0.814 2.661
26 HB2 CYS 4 2HB CYS 4 -2.692 3.184 4.394
27 HB3 CYS 4 1HB CYS 4 -3.048 1.564 4.984
28 H THR 5 HN THR 5 -5.042 3.686 1.953
29 HA THR 5 HA THR 5 -7.094 3.392 3.836
30 HB THR 5 HB THR 5 -7.296 4.661 1.086
31 HG1 THR 5 1HG THR 5 -6.298 5.514 3.583
32 HG21 THR 5 1HG2 THR 5 -9.420 4.217 2.189
33 HG22 THR 5 2HG2 THR 5 -9.111 5.968 2.183
34 HG23 THR 5 3HG2 THR 5 -8.838 4.997 3.646
35 HA HYP 6 HA HYP 6 -8.593 -0.413 1.999
36 HB2 HYP 6 1HB HYP 6 -9.658 -1.367 3.796
37 HB3 HYP 6 2HB HYP 6 -10.885 -0.089 3.820
38 HG HYP 6 HG HYP 6 -9.523 0.293 5.802
39 HD22 HYP 6 1HD1 HYP 6 -8.217 2.317 4.883
40 HD23 HYP 6 2HD1 HYP 6 -9.920 2.266 4.340
41 HD1 HYP 6 2HD HYP 6 -7.285 0.635 4.445
42 HA HYP 7 HA HYP 7 -9.709 -1.975 0.867
43 HB2 HYP 7 1HB HYP 7 -10.760 -2.872 -0.947
44 HB3 HYP 7 2HB HYP 7 -9.875 -1.777 -2.021
45 HG HYP 7 HG HYP 7 -12.092 -0.973 -2.279
46 HD22 HYP 7 1HD1 HYP 7 -12.178 0.914 -0.425
47 HD23 HYP 7 2HD1 HYP 7 -10.726 0.890 -1.464
48 HD1 HYP 7 2HD HYP 7 -12.487 -1.124 0.443
49 H LYS 8 HN LYS 8 -7.661 -2.063 1.175
50 HA LYS 8 HA LYS 8 -5.827 -0.369 -0.307
51 HB2 LYS 8 2HB LYS 8 -4.160 -1.399 1.390
52 HB3 LYS 8 1HB LYS 8 -5.322 -0.202 1.956
53 HG2 LYS 8 2HG LYS 8 -6.724 -1.837 2.765
54 HG3 LYS 8 1HG LYS 8 -5.744 -3.159 2.137
55 HD2 LYS 8 2HD LYS 8 -3.931 -2.460 3.673
56 HD3 LYS 8 1HD LYS 8 -4.940 -1.129 4.247
57 HE2 LYS 8 2HE LYS 8 -5.510 -4.080 4.536
58 HE3 LYS 8 1HE LYS 8 -5.026 -2.977 5.822
59 HZ1 LYS 8 1HZ LYS 8 -7.114 -1.724 5.394
60 HZ2 LYS 8 2HZ LYS 8 -7.367 -3.286 5.939
61 HZ3 LYS 8 3HZ LYS 8 -7.594 -2.933 4.313
62 H LYS 9 HN LYS 9 -5.104 -1.120 -2.052
63 HA LYS 9 HA LYS 9 -4.924 -4.015 -2.415
64 HB2 LYS 9 2HB LYS 9 -4.963 -1.828 -4.494
65 HB3 LYS 9 1HB LYS 9 -4.909 -3.551 -4.822
66 HG2 LYS 9 2HG LYS 9 -7.167 -2.038 -3.518
67 HG3 LYS 9 1HG LYS 9 -7.152 -2.717 -5.146
68 HD2 LYS 9 2HD LYS 9 -6.875 -4.967 -4.156
69 HD3 LYS 9 1HD LYS 9 -7.004 -4.251 -2.551
70 HE2 LYS 9 2HE LYS 9 -9.246 -3.416 -3.139
71 HE3 LYS 9 1HE LYS 9 -9.100 -4.216 -4.705
72 HZ1 LYS 9 1HZ LYS 9 -10.334 -5.580 -3.178
73 HZ2 LYS 9 2HZ LYS 9 -9.084 -5.547 -2.060
74 HZ3 LYS 9 3HZ LYS 9 -8.873 -6.329 -3.526
75 H CYS 10 HN CYS 10 -2.977 -4.767 -1.968
76 HA CYS 10 HA CYS 10 -0.661 -3.162 -2.532
77 HB2 CYS 10 2HB CYS 10 -0.608 -4.664 -0.547
78 HB3 CYS 10 1HB CYS 10 -0.791 -6.058 -1.609
79 H LYS 11 HN LYS 11 -1.125 -2.874 -4.625
80 HA LYS 11 HA LYS 11 -0.311 -5.088 -6.380
81 HB2 LYS 11 2HB LYS 11 -2.707 -4.623 -6.653
82 HB3 LYS 11 1HB LYS 11 -2.351 -2.931 -6.967
83 HG2 LYS 11 2HG LYS 11 -1.163 -3.537 -8.990
84 HG3 LYS 11 1HG LYS 11 -1.461 -5.245 -8.666
85 HD2 LYS 11 2HD LYS 11 -3.874 -4.841 -8.834
86 HD3 LYS 11 1HD LYS 11 -3.559 -3.139 -9.175
87 HE2 LYS 11 2HE LYS 11 -3.986 -4.443 -11.224
88 HE3 LYS 11 1HE LYS 11 -2.378 -3.723 -11.205
89 HZ1 LYS 11 1HZ LYS 11 -1.440 -5.834 -10.604
90 HZ2 LYS 11 2HZ LYS 11 -2.374 -6.054 -11.970
91 HZ3 LYS 11 3HZ LYS 11 -2.959 -6.540 -10.466
92 H ASP 12 HN ASP 12 -0.393 -1.619 -5.794
93 HA ASP 12 HA ASP 12 1.476 -1.067 -7.900
94 HB2 ASP 12 2HB ASP 12 -0.254 0.584 -7.093
95 HB3 ASP 12 1HB ASP 12 0.644 0.703 -5.585
96 H ARG 13 HN ARG 13 3.628 -0.666 -7.635
97 HA ARG 13 HA ARG 13 5.034 -2.180 -5.744
98 HB2 ARG 13 2HB ARG 13 6.041 0.093 -7.442
99 HB3 ARG 13 1HB ARG 13 7.031 -1.061 -6.566
100 HG2 ARG 13 2HG ARG 13 6.344 -2.865 -7.936
101 HG3 ARG 13 1HG ARG 13 5.048 -1.905 -8.653
102 HD2 ARG 13 2HD ARG 13 7.984 -1.306 -8.963
103 HD3 ARG 13 1HD ARG 13 7.021 -2.199 -10.142
104 HE ARG 13 HE ARG 13 5.798 0.262 -9.533
105 HH11 ARG 13 1HH1 ARG 13 8.580 -0.988 -11.335
106 HH12 ARG 13 2HH1 ARG 13 8.579 0.266 -12.488
107 HH21 ARG 13 1HH2 ARG 13 5.792 1.992 -11.131
108 HH22 ARG 13 2HH2 ARG 13 6.970 2.016 -12.333
109 H ARG 14 HN ARG 14 4.002 1.151 -5.650
110 HA ARG 14 HA ARG 14 5.748 2.030 -3.589
111 HB2 ARG 14 2HB ARG 14 3.088 3.028 -4.569
112 HB3 ARG 14 1HB ARG 14 4.012 3.843 -3.318
113 HG2 ARG 14 2HG ARG 14 5.765 4.343 -4.816
114 HG3 ARG 14 1HG ARG 14 5.114 3.259 -6.051
115 HD2 ARG 14 2HD ARG 14 3.712 5.714 -5.018
116 HD3 ARG 14 1HD ARG 14 4.675 5.665 -6.497
117 HE ARG 14 HE ARG 14 2.853 3.605 -6.651
118 HH11 ARG 14 1HH1 ARG 14 2.696 7.142 -6.476
119 HH12 ARG 14 2HH1 ARG 14 1.281 7.244 -7.427
120 HH21 ARG 14 1HH2 ARG 14 1.001 3.774 -7.974
121 HH22 ARG 14 2HH2 ARG 14 0.295 5.297 -8.312
122 H CYS 15 HN CYS 15 3.020 0.016 -3.596
123 HA CYS 15 HA CYS 15 2.335 0.584 -0.841
124 HB2 CYS 15 2HB CYS 15 1.112 -1.405 -2.752
125 HB3 CYS 15 1HB CYS 15 0.432 -0.847 -1.226
126 H LYS 16 HN LYS 16 4.618 -1.252 -2.418
127 HA LYS 16 HA LYS 16 4.214 -3.718 -0.987
128 HB2 LYS 16 2HB LYS 16 5.199 -3.755 -3.231
129 HB3 LYS 16 1HB LYS 16 6.581 -2.835 -2.660
130 HG2 LYS 16 2HG LYS 16 7.208 -4.694 -1.183
131 HG3 LYS 16 1HG LYS 16 5.824 -5.616 -1.759
132 HD2 LYS 16 2HD LYS 16 8.107 -4.644 -3.486
133 HD3 LYS 16 1HD LYS 16 7.947 -6.277 -2.849
134 HE2 LYS 16 2HE LYS 16 5.854 -6.560 -4.097
135 HE3 LYS 16 1HE LYS 16 5.999 -4.922 -4.723
136 HZ1 LYS 16 1HZ LYS 16 6.771 -6.559 -6.323
137 HZ2 LYS 16 2HZ LYS 16 7.943 -7.110 -5.239
138 HZ3 LYS 16 3HZ LYS 16 8.014 -5.536 -5.839
139 HA HYP 17 HA HYP 17 7.975 -2.008 1.689
140 HB2 HYP 17 1HB HYP 17 8.921 -0.113 0.689
141 HB3 HYP 17 2HB HYP 17 7.989 0.720 1.950
142 HG HYP 17 HG HYP 17 6.133 1.012 0.507
143 HD22 HYP 17 1HD1 HYP 17 7.653 -0.839 -1.349
144 HD23 HYP 17 2HD1 HYP 17 5.933 -0.375 -1.452
145 HD1 HYP 17 2HD HYP 17 6.858 1.720 -1.369
146 H LEU 18 HN LEU 18 4.760 -0.924 1.451
147 HA LEU 18 HA LEU 18 4.553 0.233 4.070
148 HB2 LEU 18 2HB LEU 18 2.403 -0.525 2.099
149 HB3 LEU 18 1HB LEU 18 2.160 0.417 3.552
150 HG LEU 18 HG LEU 18 3.789 1.282 1.145
151 HD11 LEU 18 1HD1 LEU 18 1.139 2.274 2.187
152 HD12 LEU 18 2HD1 LEU 18 1.341 1.230 0.793
153 HD13 LEU 18 3HD1 LEU 18 1.999 2.869 0.768
154 HD21 LEU 18 1HD2 LEU 18 3.875 3.456 2.278
155 HD22 LEU 18 2HD2 LEU 18 4.696 2.208 3.212
156 HD23 LEU 18 3HD2 LEU 18 3.085 2.753 3.687
157 H LYS 19 HN LYS 19 3.759 -0.671 5.863
158 HA LYS 19 HA LYS 19 3.820 -3.457 6.263
159 HB2 LYS 19 2HB LYS 19 2.581 -1.281 7.939
160 HB3 LYS 19 1HB LYS 19 2.798 -2.935 8.489
161 HG2 LYS 19 2HG LYS 19 5.196 -2.716 8.319
162 HG3 LYS 19 1HG LYS 19 5.012 -1.107 7.624
163 HD2 LYS 19 2HD LYS 19 4.132 -1.906 10.397
164 HD3 LYS 19 1HD LYS 19 5.638 -1.070 10.024
165 HE2 LYS 19 2HE LYS 19 4.303 0.786 9.042
166 HE3 LYS 19 1HE LYS 19 2.838 -0.052 9.545
167 HZ1 LYS 19 1HZ LYS 19 3.601 0.116 11.839
168 HZ2 LYS 19 2HZ LYS 19 3.407 1.622 11.104
169 HZ3 LYS 19 3HZ LYS 19 4.963 0.982 11.319
170 H CYS 20 HN CYS 20 1.402 -1.441 5.094
171 HA CYS 20 HA CYS 20 -0.948 -2.849 5.754
172 HB2 CYS 20 2HB CYS 20 -0.440 -1.172 3.303
173 HB3 CYS 20 1HB CYS 20 -1.982 -1.463 4.110
174 H CYS 21 HN CYS 21 1.613 -3.547 3.578
175 HA CYS 21 HA CYS 21 -0.067 -5.296 1.980
176 HB2 CYS 21 2HB CYS 21 1.524 -3.858 0.771
177 HB3 CYS 21 1HB CYS 21 2.853 -4.554 1.690
178 H ALA 22 HN ALA 22 -0.485 -7.055 3.150
179 HA ALA 22 HA ALA 22 1.748 -8.413 4.462
180 HB1 ALA 22 2HB ALA 22 0.039 -9.554 5.823
181 HB2 ALA 22 3HB ALA 22 -1.227 -8.681 4.961
182 HB3 ALA 22 1HB ALA 22 -0.085 -7.800 5.972
183 HN1 NH2 23 2H ALA 22 -0.688 -10.831 2.259
184 HN2 NH2 23 1H ALA 22 -1.339 -9.669 3.360
Start of MODEL 15
1 H1 ARG 1 1HT ARG 1 -3.563 9.968 0.277
2 H2 ARG 1 2HT ARG 1 -4.222 9.105 -1.006
3 H3 ARG 1 3HT ARG 1 -3.568 10.625 -1.281
4 HA ARG 1 HA ARG 1 -2.104 8.946 -2.100
5 HB2 ARG 1 2HB ARG 1 -1.141 11.012 -1.011
6 HB3 ARG 1 1HB ARG 1 -1.014 10.080 0.474
7 HG2 ARG 1 2HG ARG 1 0.501 8.510 -0.661
8 HG3 ARG 1 1HG ARG 1 0.432 9.524 -2.103
9 HD2 ARG 1 2HD ARG 1 1.445 10.331 0.619
10 HD3 ARG 1 1HD ARG 1 2.425 10.028 -0.813
11 HE ARG 1 HE ARG 1 0.631 11.989 -1.520
12 HH11 ARG 1 1HH1 ARG 1 3.228 11.667 0.890
13 HH12 ARG 1 2HH1 ARG 1 3.576 13.330 0.891
14 HH21 ARG 1 1HH2 ARG 1 1.135 14.267 -1.455
15 HH22 ARG 1 2HH2 ARG 1 2.385 14.824 -0.430
16 H ASP 2 HN ASP 2 -3.117 8.501 1.265
17 HA ASP 2 HA ASP 2 -1.492 6.375 1.914
18 HB2 ASP 2 2HB ASP 2 -4.183 7.201 2.974
19 HB3 ASP 2 1HB ASP 2 -3.324 5.803 3.599
20 H CYS 3 HN CYS 3 -1.324 4.520 1.131
21 HA CYS 3 HA CYS 3 -3.535 3.378 -0.365
22 HB2 CYS 3 2HB CYS 3 -1.197 3.450 -1.336
23 HB3 CYS 3 1HB CYS 3 -0.723 2.282 -0.112
24 H CYS 4 HN CYS 4 -2.512 3.367 2.775
25 HA CYS 4 HA CYS 4 -3.296 0.620 3.256
26 HB2 CYS 4 2HB CYS 4 -2.741 2.872 5.212
27 HB3 CYS 4 1HB CYS 4 -3.002 1.185 5.639
28 H THR 5 HN THR 5 -4.800 3.584 2.760
29 HA THR 5 HA THR 5 -7.100 3.033 4.318
30 HB THR 5 HB THR 5 -6.769 5.053 2.073
31 HG1 THR 5 1HG THR 5 -6.293 6.483 3.867
32 HG21 THR 5 1HG2 THR 5 -9.077 4.587 2.737
33 HG22 THR 5 2HG2 THR 5 -8.612 6.212 3.274
34 HG23 THR 5 3HG2 THR 5 -8.655 4.857 4.418
35 HA HYP 6 HA HYP 6 -8.414 0.139 1.168
36 HB2 HYP 6 1HB HYP 6 -9.568 -1.258 2.534
37 HB3 HYP 6 2HB HYP 6 -10.929 -0.125 2.587
38 HG HYP 6 HG HYP 6 -10.149 -0.056 4.851
39 HD22 HYP 6 1HD1 HYP 6 -8.579 1.995 4.764
40 HD23 HYP 6 2HD1 HYP 6 -10.104 2.181 3.848
41 HD1 HYP 6 2HD HYP 6 -7.578 0.354 4.249
42 HA HYP 7 HA HYP 7 -9.870 -1.134 -0.208
43 HB2 HYP 7 1HB HYP 7 -10.929 -1.575 -2.152
44 HB3 HYP 7 2HB HYP 7 -9.890 -0.449 -3.030
45 HG HYP 7 HG HYP 7 -11.952 0.667 -3.169
46 HD22 HYP 7 1HD1 HYP 7 -11.935 2.162 -0.949
47 HD23 HYP 7 2HD1 HYP 7 -10.511 2.241 -2.014
48 HD1 HYP 7 2HD HYP 7 -12.667 0.260 -0.565
49 H LYS 8 HN LYS 8 -7.949 -1.861 -0.173
50 HA LYS 8 HA LYS 8 -5.827 -0.426 -1.549
51 HB2 LYS 8 2HB LYS 8 -4.335 -1.333 0.261
52 HB3 LYS 8 1HB LYS 8 -5.425 -0.034 0.718
53 HG2 LYS 8 2HG LYS 8 -6.809 -1.409 1.836
54 HG3 LYS 8 1HG LYS 8 -6.154 -2.902 1.165
55 HD2 LYS 8 2HD LYS 8 -3.996 -2.322 2.364
56 HD3 LYS 8 1HD LYS 8 -4.849 -0.968 3.103
57 HE2 LYS 8 2HE LYS 8 -4.735 -2.876 4.607
58 HE3 LYS 8 1HE LYS 8 -6.397 -2.498 4.170
59 HZ1 LYS 8 1HZ LYS 8 -6.502 -4.379 2.748
60 HZ2 LYS 8 2HZ LYS 8 -5.754 -4.929 4.159
61 HZ3 LYS 8 3HZ LYS 8 -4.834 -4.613 2.791
62 H LYS 9 HN LYS 9 -4.789 -1.519 -2.902
63 HA LYS 9 HA LYS 9 -4.809 -4.481 -2.862
64 HB2 LYS 9 2HB LYS 9 -4.559 -2.676 -5.273
65 HB3 LYS 9 1HB LYS 9 -4.543 -4.426 -5.292
66 HG2 LYS 9 2HG LYS 9 -6.856 -4.472 -4.584
67 HG3 LYS 9 1HG LYS 9 -6.881 -2.709 -4.495
68 HD2 LYS 9 2HD LYS 9 -6.279 -2.633 -6.902
69 HD3 LYS 9 1HD LYS 9 -6.395 -4.391 -6.943
70 HE2 LYS 9 2HE LYS 9 -8.438 -3.395 -7.795
71 HE3 LYS 9 1HE LYS 9 -8.738 -4.237 -6.273
72 HZ1 LYS 9 1HZ LYS 9 -9.839 -2.048 -6.347
73 HZ2 LYS 9 2HZ LYS 9 -8.337 -1.314 -6.538
74 HZ3 LYS 9 3HZ LYS 9 -8.682 -2.134 -5.128
75 H CYS 10 HN CYS 10 -2.797 -5.129 -2.230
76 HA CYS 10 HA CYS 10 -0.565 -3.428 -2.882
77 HB2 CYS 10 2HB CYS 10 -0.596 -4.466 -0.627
78 HB3 CYS 10 1HB CYS 10 -0.526 -6.060 -1.375
79 H LYS 11 HN LYS 11 -1.203 -3.783 -5.066
80 HA LYS 11 HA LYS 11 0.263 -6.054 -6.244
81 HB2 LYS 11 2HB LYS 11 -1.905 -4.351 -7.508
82 HB3 LYS 11 1HB LYS 11 -1.055 -5.666 -8.304
83 HG2 LYS 11 2HG LYS 11 -1.998 -7.241 -6.667
84 HG3 LYS 11 1HG LYS 11 -2.884 -5.912 -5.922
85 HD2 LYS 11 2HD LYS 11 -4.061 -5.517 -8.027
86 HD3 LYS 11 1HD LYS 11 -3.184 -6.851 -8.778
87 HE2 LYS 11 2HE LYS 11 -5.056 -7.054 -6.422
88 HE3 LYS 11 1HE LYS 11 -5.457 -7.490 -8.079
89 HZ1 LYS 11 1HZ LYS 11 -4.895 -9.429 -6.758
90 HZ2 LYS 11 2HZ LYS 11 -3.374 -8.800 -6.397
91 HZ3 LYS 11 3HZ LYS 11 -3.754 -9.223 -7.976
92 H ASP 12 HN ASP 12 -0.287 -2.637 -6.151
93 HA ASP 12 HA ASP 12 1.696 -2.034 -8.142
94 HB2 ASP 12 2HB ASP 12 -0.331 -0.605 -7.762
95 HB3 ASP 12 1HB ASP 12 0.326 -0.185 -6.184
96 H ARG 13 HN ARG 13 3.729 -1.315 -7.729
97 HA ARG 13 HA ARG 13 5.013 -2.267 -5.429
98 HB2 ARG 13 2HB ARG 13 7.006 -1.139 -6.244
99 HB3 ARG 13 1HB ARG 13 6.213 -2.075 -7.505
100 HG2 ARG 13 2HG ARG 13 5.247 -0.011 -8.414
101 HG3 ARG 13 1HG ARG 13 6.056 0.915 -7.148
102 HD2 ARG 13 2HD ARG 13 7.301 0.994 -9.244
103 HD3 ARG 13 1HD ARG 13 8.219 0.178 -7.980
104 HE ARG 13 HE ARG 13 6.707 -1.643 -9.552
105 HH11 ARG 13 1HH1 ARG 13 9.727 0.212 -9.507
106 HH12 ARG 13 2HH1 ARG 13 10.537 -0.824 -10.564
107 HH21 ARG 13 1HH2 ARG 13 7.837 -3.087 -11.018
108 HH22 ARG 13 2HH2 ARG 13 9.441 -2.740 -11.437
109 H ARG 14 HN ARG 14 3.555 0.841 -6.059
110 HA ARG 14 HA ARG 14 5.040 2.237 -4.054
111 HB2 ARG 14 2HB ARG 14 2.507 2.896 -5.553
112 HB3 ARG 14 1HB ARG 14 3.304 4.001 -4.437
113 HG2 ARG 14 2HG ARG 14 5.176 4.240 -5.832
114 HG3 ARG 14 1HG ARG 14 4.756 2.813 -6.777
115 HD2 ARG 14 2HD ARG 14 3.107 5.331 -6.690
116 HD3 ARG 14 1HD ARG 14 4.309 4.980 -7.935
117 HE ARG 14 HE ARG 14 2.541 2.813 -7.734
118 HH11 ARG 14 1HH1 ARG 14 2.423 6.187 -8.802
119 HH12 ARG 14 2HH1 ARG 14 1.237 5.897 -9.998
120 HH21 ARG 14 1HH2 ARG 14 0.981 2.445 -9.390
121 HH22 ARG 14 2HH2 ARG 14 0.402 3.748 -10.352
122 H CYS 15 HN CYS 15 2.673 -0.078 -3.900
123 HA CYS 15 HA CYS 15 1.807 0.855 -1.258
124 HB2 CYS 15 2HB CYS 15 0.487 -1.115 -3.135
125 HB3 CYS 15 1HB CYS 15 -0.104 -0.686 -1.533
126 H LYS 16 HN LYS 16 4.160 -0.884 -2.508
127 HA LYS 16 HA LYS 16 3.698 -3.341 -1.043
128 HB2 LYS 16 2HB LYS 16 4.543 -3.578 -3.288
129 HB3 LYS 16 1HB LYS 16 5.941 -2.584 -2.913
130 HG2 LYS 16 2HG LYS 16 6.783 -4.255 -1.392
131 HG3 LYS 16 1HG LYS 16 5.331 -5.227 -1.607
132 HD2 LYS 16 2HD LYS 16 7.316 -4.556 -3.783
133 HD3 LYS 16 1HD LYS 16 7.253 -6.082 -2.901
134 HE2 LYS 16 2HE LYS 16 4.909 -6.356 -3.705
135 HE3 LYS 16 1HE LYS 16 5.140 -4.933 -4.715
136 HZ1 LYS 16 1HZ LYS 16 6.708 -7.437 -4.884
137 HZ2 LYS 16 2HZ LYS 16 6.951 -6.083 -5.830
138 HZ3 LYS 16 3HZ LYS 16 5.503 -6.954 -5.958
139 HA HYP 17 HA HYP 17 7.711 -1.654 1.264
140 HB2 HYP 17 1HB HYP 17 8.556 0.218 0.127
141 HB3 HYP 17 2HB HYP 17 7.832 1.047 1.518
142 HG HYP 17 HG HYP 17 5.820 1.452 0.348
143 HD22 HYP 17 1HD1 HYP 17 6.938 -0.384 -1.776
144 HD23 HYP 17 2HD1 HYP 17 5.242 0.088 -1.513
145 HD1 HYP 17 2HD HYP 17 6.297 2.202 -1.559
146 H LEU 18 HN LEU 18 4.536 -0.825 1.351
147 HA LEU 18 HA LEU 18 4.423 0.493 3.885
148 HB2 LEU 18 2HB LEU 18 2.239 -0.644 2.160
149 HB3 LEU 18 1HB LEU 18 2.006 0.382 3.559
150 HG LEU 18 HG LEU 18 3.381 1.231 0.994
151 HD11 LEU 18 1HD1 LEU 18 1.390 2.555 0.620
152 HD12 LEU 18 2HD1 LEU 18 0.667 1.924 2.100
153 HD13 LEU 18 3HD1 LEU 18 0.972 0.844 0.740
154 HD21 LEU 18 1HD2 LEU 18 3.243 3.482 1.953
155 HD22 LEU 18 2HD2 LEU 18 4.238 2.422 2.948
156 HD23 LEU 18 3HD2 LEU 18 2.591 2.811 3.449
157 H LYS 19 HN LYS 19 4.050 -0.435 5.773
158 HA LYS 19 HA LYS 19 4.413 -3.180 6.235
159 HB2 LYS 19 2HB LYS 19 3.776 -2.653 8.564
160 HB3 LYS 19 1HB LYS 19 4.936 -1.502 7.918
161 HG2 LYS 19 2HG LYS 19 3.095 0.077 7.488
162 HG3 LYS 19 1HG LYS 19 1.966 -1.066 8.205
163 HD2 LYS 19 2HD LYS 19 3.251 -0.935 10.320
164 HD3 LYS 19 1HD LYS 19 4.291 0.280 9.574
165 HE2 LYS 19 2HE LYS 19 2.278 1.682 9.177
166 HE3 LYS 19 1HE LYS 19 1.326 0.487 10.047
167 HZ1 LYS 19 1HZ LYS 19 3.568 2.063 11.183
168 HZ2 LYS 19 2HZ LYS 19 2.679 0.922 12.027
169 HZ3 LYS 19 3HZ LYS 19 1.939 2.313 11.497
170 H CYS 20 HN CYS 20 1.633 -1.372 5.449
171 HA CYS 20 HA CYS 20 -0.415 -3.028 6.491
172 HB2 CYS 20 2HB CYS 20 -0.592 -1.250 4.072
173 HB3 CYS 20 1HB CYS 20 -1.878 -1.682 5.192
174 H CYS 21 HN CYS 21 1.735 -3.333 3.817
175 HA CYS 21 HA CYS 21 -0.005 -5.065 2.318
176 HB2 CYS 21 2HB CYS 21 1.560 -3.670 1.048
177 HB3 CYS 21 1HB CYS 21 2.920 -4.342 1.937
178 H ALA 22 HN ALA 22 -0.451 -6.768 3.477
179 HA ALA 22 HA ALA 22 1.632 -8.191 4.874
180 HB1 ALA 22 2HB ALA 22 -1.346 -8.656 4.768
181 HB2 ALA 22 3HB ALA 22 -0.484 -7.778 6.030
182 HB3 ALA 22 1HB ALA 22 -0.208 -9.505 5.810
183 HN1 NH2 23 2H ALA 22 2.152 -10.218 2.109
184 HN2 NH2 23 1H ALA 22 2.756 -9.022 3.203
Start of MODEL 16
1 H1 ARG 1 1HT ARG 1 0.215 9.306 0.438
2 H2 ARG 1 2HT ARG 1 -0.503 10.443 -0.576
3 H3 ARG 1 3HT ARG 1 -0.160 8.882 -1.147
4 HA ARG 1 HA ARG 1 -2.103 9.550 0.951
5 HB2 ARG 1 2HB ARG 1 -2.890 10.131 -1.299
6 HB3 ARG 1 1HB ARG 1 -2.448 8.531 -1.881
7 HG2 ARG 1 2HG ARG 1 -4.077 7.568 -0.280
8 HG3 ARG 1 1HG ARG 1 -4.582 9.206 0.123
9 HD2 ARG 1 2HD ARG 1 -5.244 9.580 -2.184
10 HD3 ARG 1 1HD ARG 1 -4.695 7.958 -2.615
11 HE ARG 1 HE ARG 1 -6.846 8.478 -0.686
12 HH11 ARG 1 1HH1 ARG 1 -5.558 6.558 -3.425
13 HH12 ARG 1 2HH1 ARG 1 -6.935 5.566 -3.498
14 HH21 ARG 1 1HH2 ARG 1 -8.680 7.054 -0.848
15 HH22 ARG 1 2HH2 ARG 1 -8.718 5.845 -2.036
16 H ASP 2 HN ASP 2 -2.695 7.894 2.162
17 HA ASP 2 HA ASP 2 -1.223 5.519 2.189
18 HB2 ASP 2 2HB ASP 2 -3.665 6.434 3.625
19 HB3 ASP 2 1HB ASP 2 -3.174 4.757 3.744
20 H CYS 3 HN CYS 3 -1.315 3.896 1.008
21 HA CYS 3 HA CYS 3 -3.255 3.373 -0.942
22 HB2 CYS 3 2HB CYS 3 -0.974 2.632 -1.191
23 HB3 CYS 3 1HB CYS 3 -1.097 1.648 0.260
24 H CYS 4 HN CYS 4 -2.813 2.268 2.362
25 HA CYS 4 HA CYS 4 -4.669 0.148 2.126
26 HB2 CYS 4 2HB CYS 4 -3.218 1.299 4.467
27 HB3 CYS 4 1HB CYS 4 -4.435 0.038 4.648
28 H THR 5 HN THR 5 -5.484 3.111 1.835
29 HA THR 5 HA THR 5 -7.595 3.245 3.721
30 HB THR 5 HB THR 5 -7.376 4.768 1.095
31 HG1 THR 5 1HG THR 5 -5.564 5.390 2.025
32 HG21 THR 5 1HG2 THR 5 -8.632 5.386 3.756
33 HG22 THR 5 2HG2 THR 5 -9.494 4.792 2.358
34 HG23 THR 5 3HG2 THR 5 -8.737 6.403 2.305
35 HA HYP 6 HA HYP 6 -9.585 -0.054 1.381
36 HB2 HYP 6 1HB HYP 6 -10.732 -1.017 3.101
37 HB3 HYP 6 2HB HYP 6 -11.937 0.281 3.057
38 HG HYP 6 HG HYP 6 -10.868 0.665 5.176
39 HD22 HYP 6 1HD1 HYP 6 -9.137 2.482 4.507
40 HD23 HYP 6 2HD1 HYP 6 -10.739 2.660 3.737
41 HD1 HYP 6 2HD HYP 6 -8.368 0.668 4.262
42 HA HYP 7 HA HYP 7 -10.743 -1.290 0.023
43 HB2 HYP 7 1HB HYP 7 -11.914 -1.888 -1.826
44 HB3 HYP 7 2HB HYP 7 -10.819 -0.926 -2.821
45 HG HYP 7 HG HYP 7 -12.778 0.299 -3.165
46 HD22 HYP 7 1HD1 HYP 7 -12.865 1.974 -1.070
47 HD23 HYP 7 2HD1 HYP 7 -11.366 1.908 -2.027
48 HD1 HYP 7 2HD HYP 7 -13.701 0.174 -0.620
49 H LYS 8 HN LYS 8 -8.774 -1.805 0.105
50 HA LYS 8 HA LYS 8 -6.766 -0.044 -1.056
51 HB2 LYS 8 2HB LYS 8 -5.256 -1.258 0.569
52 HB3 LYS 8 1HB LYS 8 -6.469 -0.176 1.250
53 HG2 LYS 8 2HG LYS 8 -7.833 -1.940 1.893
54 HG3 LYS 8 1HG LYS 8 -6.907 -3.126 0.995
55 HD2 LYS 8 2HD LYS 8 -4.972 -2.625 2.519
56 HD3 LYS 8 1HD LYS 8 -6.017 -1.518 3.410
57 HE2 LYS 8 2HE LYS 8 -7.529 -3.393 3.895
58 HE3 LYS 8 1HE LYS 8 -6.415 -4.478 3.068
59 HZ1 LYS 8 1HZ LYS 8 -6.085 -4.564 5.401
60 HZ2 LYS 8 2HZ LYS 8 -5.857 -2.916 5.531
61 HZ3 LYS 8 3HZ LYS 8 -4.713 -3.871 4.712
62 H LYS 9 HN LYS 9 -5.068 -0.912 -2.236
63 HA LYS 9 HA LYS 9 -5.372 -3.681 -3.091
64 HB2 LYS 9 2HB LYS 9 -5.021 -2.912 -5.461
65 HB3 LYS 9 1HB LYS 9 -6.576 -2.455 -4.783
66 HG2 LYS 9 2HG LYS 9 -5.761 -0.176 -4.406
67 HG3 LYS 9 1HG LYS 9 -4.174 -0.629 -5.010
68 HD2 LYS 9 2HD LYS 9 -6.734 -0.672 -6.608
69 HD3 LYS 9 1HD LYS 9 -5.523 0.605 -6.673
70 HE2 LYS 9 2HE LYS 9 -3.862 -1.062 -7.448
71 HE3 LYS 9 1HE LYS 9 -5.128 -2.284 -7.444
72 HZ1 LYS 9 1HZ LYS 9 -4.780 -1.383 -9.660
73 HZ2 LYS 9 2HZ LYS 9 -5.108 0.170 -9.105
74 HZ3 LYS 9 3HZ LYS 9 -6.329 -0.982 -9.111
75 H CYS 10 HN CYS 10 -3.417 -4.601 -2.688
76 HA CYS 10 HA CYS 10 -1.108 -2.861 -3.088
77 HB2 CYS 10 2HB CYS 10 -1.224 -3.691 -0.775
78 HB3 CYS 10 1HB CYS 10 -1.259 -5.352 -1.365
79 H LYS 11 HN LYS 11 -1.132 -3.191 -5.295
80 HA LYS 11 HA LYS 11 0.236 -5.668 -6.017
81 HB2 LYS 11 2HB LYS 11 -2.084 -4.485 -7.547
82 HB3 LYS 11 1HB LYS 11 -0.981 -5.661 -8.246
83 HG2 LYS 11 2HG LYS 11 -2.663 -6.125 -5.788
84 HG3 LYS 11 1HG LYS 11 -3.079 -6.668 -7.416
85 HD2 LYS 11 2HD LYS 11 -1.169 -8.126 -7.488
86 HD3 LYS 11 1HD LYS 11 -0.527 -7.461 -5.990
87 HE2 LYS 11 2HE LYS 11 -3.100 -9.006 -6.262
88 HE3 LYS 11 1HE LYS 11 -1.575 -9.646 -5.658
89 HZ1 LYS 11 1HZ LYS 11 -3.132 -7.441 -4.382
90 HZ2 LYS 11 2HZ LYS 11 -1.670 -8.050 -3.827
91 HZ3 LYS 11 3HZ LYS 11 -3.039 -9.025 -3.842
92 H ASP 12 HN ASP 12 0.299 -2.379 -5.983
93 HA ASP 12 HA ASP 12 2.166 -2.278 -8.226
94 HB2 ASP 12 2HB ASP 12 0.299 -0.562 -8.113
95 HB3 ASP 12 1HB ASP 12 1.023 0.034 -6.626
96 H ARG 13 HN ARG 13 4.240 -1.495 -7.830
97 HA ARG 13 HA ARG 13 5.554 -2.312 -5.531
98 HB2 ARG 13 2HB ARG 13 6.412 -0.132 -7.431
99 HB3 ARG 13 1HB ARG 13 7.448 -0.948 -6.277
100 HG2 ARG 13 2HG ARG 13 7.109 -3.057 -7.447
101 HG3 ARG 13 1HG ARG 13 6.059 -2.241 -8.605
102 HD2 ARG 13 2HD ARG 13 8.958 -1.626 -8.099
103 HD3 ARG 13 1HD ARG 13 8.317 -2.494 -9.494
104 HE ARG 13 HE ARG 13 6.976 -0.191 -9.613
105 HH11 ARG 13 1HH1 ARG 13 10.435 -0.804 -9.167
106 HH12 ARG 13 2HH1 ARG 13 10.940 0.593 -9.992
107 HH21 ARG 13 1HH2 ARG 13 7.698 1.778 -10.775
108 HH22 ARG 13 2HH2 ARG 13 9.354 2.067 -10.921
109 H ARG 14 HN ARG 14 4.111 0.792 -6.277
110 HA ARG 14 HA ARG 14 5.181 2.373 -4.230
111 HB2 ARG 14 2HB ARG 14 2.574 2.427 -5.703
112 HB3 ARG 14 1HB ARG 14 2.981 3.633 -4.494
113 HG2 ARG 14 2HG ARG 14 4.545 4.626 -5.809
114 HG3 ARG 14 1HG ARG 14 4.955 3.125 -6.641
115 HD2 ARG 14 2HD ARG 14 3.757 4.832 -8.041
116 HD3 ARG 14 1HD ARG 14 3.024 3.231 -7.980
117 HE ARG 14 HE ARG 14 2.060 5.373 -6.240
118 HH11 ARG 14 1HH1 ARG 14 1.501 3.071 -8.871
119 HH12 ARG 14 2HH1 ARG 14 -0.181 3.297 -8.926
120 HH21 ARG 14 1HH2 ARG 14 -0.282 5.719 -6.318
121 HH22 ARG 14 2HH2 ARG 14 -1.210 4.835 -7.446
122 H CYS 15 HN CYS 15 2.650 -0.028 -4.126
123 HA CYS 15 HA CYS 15 1.907 0.788 -1.410
124 HB2 CYS 15 2HB CYS 15 0.147 0.503 -3.158
125 HB3 CYS 15 1HB CYS 15 0.590 -1.193 -3.278
126 H LYS 16 HN LYS 16 4.060 -1.178 -2.902
127 HA LYS 16 HA LYS 16 3.555 -3.616 -1.465
128 HB2 LYS 16 2HB LYS 16 4.336 -3.459 -3.849
129 HB3 LYS 16 1HB LYS 16 5.906 -2.985 -3.224
130 HG2 LYS 16 2HG LYS 16 6.139 -5.103 -2.101
131 HG3 LYS 16 1HG LYS 16 4.514 -5.576 -2.599
132 HD2 LYS 16 2HD LYS 16 5.269 -5.288 -4.979
133 HD3 LYS 16 1HD LYS 16 6.907 -5.091 -4.365
134 HE2 LYS 16 2HE LYS 16 6.572 -7.387 -5.052
135 HE3 LYS 16 1HE LYS 16 6.743 -7.309 -3.299
136 HZ1 LYS 16 1HZ LYS 16 4.321 -7.460 -3.101
137 HZ2 LYS 16 2HZ LYS 16 4.909 -8.776 -3.958
138 HZ3 LYS 16 3HZ LYS 16 4.169 -7.513 -4.768
139 HA HYP 17 HA HYP 17 7.602 -2.375 0.899
140 HB2 HYP 17 1HB HYP 17 8.488 -0.604 -0.463
141 HB3 HYP 17 2HB HYP 17 8.361 0.109 1.156
142 HG HYP 17 HG HYP 17 6.362 1.217 0.617
143 HD22 HYP 17 1HD1 HYP 17 5.913 -0.234 -1.923
144 HD23 HYP 17 2HD1 HYP 17 4.763 0.090 -0.622
145 HD1 HYP 17 2HD HYP 17 6.472 1.526 -1.734
146 H LEU 18 HN LEU 18 4.549 -1.427 1.232
147 HA LEU 18 HA LEU 18 4.663 0.114 3.648
148 HB2 LEU 18 2HB LEU 18 2.348 -1.022 2.101
149 HB3 LEU 18 1HB LEU 18 2.196 0.032 3.488
150 HG LEU 18 HG LEU 18 3.476 0.815 0.848
151 HD11 LEU 18 1HD1 LEU 18 1.053 0.472 0.693
152 HD12 LEU 18 2HD1 LEU 18 1.488 2.174 0.552
153 HD13 LEU 18 3HD1 LEU 18 0.816 1.556 2.064
154 HD21 LEU 18 1HD2 LEU 18 4.417 2.011 2.757
155 HD22 LEU 18 2HD2 LEU 18 2.794 2.439 3.297
156 HD23 LEU 18 3HD2 LEU 18 3.411 3.072 1.771
157 H LYS 19 HN LYS 19 4.253 -0.576 5.607
158 HA LYS 19 HA LYS 19 4.652 -3.339 6.135
159 HB2 LYS 19 2HB LYS 19 4.215 -0.951 7.925
160 HB3 LYS 19 1HB LYS 19 4.226 -2.576 8.593
161 HG2 LYS 19 2HG LYS 19 6.415 -1.458 8.802
162 HG3 LYS 19 1HG LYS 19 6.504 -2.924 7.832
163 HD2 LYS 19 2HD LYS 19 6.280 -1.413 5.800
164 HD3 LYS 19 1HD LYS 19 6.533 -0.066 6.902
165 HE2 LYS 19 2HE LYS 19 8.706 -0.794 7.445
166 HE3 LYS 19 1HE LYS 19 8.459 -2.362 6.677
167 HZ1 LYS 19 1HZ LYS 19 8.236 -1.204 4.554
168 HZ2 LYS 19 2HZ LYS 19 9.756 -0.980 5.240
169 HZ3 LYS 19 3HZ LYS 19 8.626 0.266 5.275
170 H CYS 20 HN CYS 20 1.936 -1.419 5.712
171 HA CYS 20 HA CYS 20 0.034 -3.115 6.946
172 HB2 CYS 20 2HB CYS 20 -0.548 -0.839 6.576
173 HB3 CYS 20 1HB CYS 20 -0.114 -0.936 4.876
174 H CYS 21 HN CYS 21 1.697 -3.136 3.857
175 HA CYS 21 HA CYS 21 -0.163 -5.058 2.746
176 HB2 CYS 21 2HB CYS 21 0.773 -3.419 1.190
177 HB3 CYS 21 1HB CYS 21 2.409 -3.896 1.629
178 H ALA 22 HN ALA 22 3.043 -4.892 4.110
179 HA ALA 22 HA ALA 22 3.712 -7.609 3.635
180 HB1 ALA 22 2HB ALA 22 4.861 -5.668 5.649
181 HB2 ALA 22 3HB ALA 22 5.424 -5.888 3.993
182 HB3 ALA 22 1HB ALA 22 5.584 -7.200 5.162
183 HN1 NH2 23 2H ALA 22 2.521 -7.456 7.545
184 HN2 NH2 23 1H ALA 22 3.405 -6.149 6.849
Start of MODEL 17
1 H1 ARG 1 1HT ARG 1 -3.485 9.761 1.676
2 H2 ARG 1 2HT ARG 1 -2.540 11.061 1.273
3 H3 ARG 1 3HT ARG 1 -1.996 9.937 2.409
4 HA ARG 1 HA ARG 1 -2.522 9.383 -0.467
5 HB2 ARG 1 2HB ARG 1 -0.118 9.146 -0.732
6 HB3 ARG 1 1HB ARG 1 -0.488 10.770 -0.155
7 HG2 ARG 1 2HG ARG 1 0.188 10.147 2.079
8 HG3 ARG 1 1HG ARG 1 0.459 8.482 1.567
9 HD2 ARG 1 2HD ARG 1 2.193 9.332 -0.004
10 HD3 ARG 1 1HD ARG 1 1.966 10.941 0.685
11 HE ARG 1 HE ARG 1 2.435 9.462 2.855
12 HH11 ARG 1 1HH1 ARG 1 4.237 9.843 -0.195
13 HH12 ARG 1 2HH1 ARG 1 5.719 9.369 0.464
14 HH21 ARG 1 1HH2 ARG 1 4.541 8.781 3.750
15 HH22 ARG 1 2HH2 ARG 1 5.901 8.751 2.712
16 H ASP 2 HN ASP 2 -3.343 7.914 2.159
17 HA ASP 2 HA ASP 2 -1.538 5.748 2.218
18 HB2 ASP 2 2HB ASP 2 -4.090 6.238 3.685
19 HB3 ASP 2 1HB ASP 2 -3.363 4.634 3.685
20 H CYS 3 HN CYS 3 -1.413 4.070 1.225
21 HA CYS 3 HA CYS 3 -3.330 3.413 -0.837
22 HB2 CYS 3 2HB CYS 3 -0.954 3.465 -1.374
23 HB3 CYS 3 1HB CYS 3 -0.623 2.283 -0.117
24 H CYS 4 HN CYS 4 -2.639 2.530 2.372
25 HA CYS 4 HA CYS 4 -3.698 -0.132 2.056
26 HB2 CYS 4 2HB CYS 4 -3.276 -0.364 4.484
27 HB3 CYS 4 1HB CYS 4 -1.847 0.072 3.560
28 H THR 5 HN THR 5 -5.143 2.722 2.050
29 HA THR 5 HA THR 5 -7.257 2.263 3.860
30 HB THR 5 HB THR 5 -7.218 3.983 1.347
31 HG1 THR 5 1HG THR 5 -6.302 4.394 4.004
32 HG21 THR 5 1HG2 THR 5 -8.884 4.128 3.866
33 HG22 THR 5 2HG2 THR 5 -9.455 3.570 2.301
34 HG23 THR 5 3HG2 THR 5 -8.985 5.263 2.515
35 HA HYP 6 HA HYP 6 -8.714 -1.176 1.430
36 HB2 HYP 6 1HB HYP 6 -9.854 -2.211 3.080
37 HB3 HYP 6 2HB HYP 6 -11.235 -1.134 2.835
38 HG HYP 6 HG HYP 6 -10.527 -0.471 5.008
39 HD22 HYP 6 1HD1 HYP 6 -8.887 1.477 4.472
40 HD23 HYP 6 2HD1 HYP 6 -10.390 1.462 3.505
41 HD1 HYP 6 2HD HYP 6 -7.922 -0.379 4.264
42 HA HYP 7 HA HYP 7 -9.497 -2.520 0.100
43 HB2 HYP 7 1HB HYP 7 -10.418 -3.437 -1.766
44 HB3 HYP 7 2HB HYP 7 -9.436 -2.364 -2.769
45 HG HYP 7 HG HYP 7 -11.532 -1.515 -3.308
46 HD22 HYP 7 1HD1 HYP 7 -12.065 0.225 -1.329
47 HD23 HYP 7 2HD1 HYP 7 -10.527 0.392 -2.213
48 HD1 HYP 7 2HD HYP 7 -13.199 -1.517 -1.885
49 H LYS 8 HN LYS 8 -7.402 -2.873 0.051
50 HA LYS 8 HA LYS 8 -5.658 -0.674 -0.297
51 HB2 LYS 8 2HB LYS 8 -4.974 -3.587 0.003
52 HB3 LYS 8 1HB LYS 8 -3.892 -2.230 0.278
53 HG2 LYS 8 2HG LYS 8 -5.447 -1.492 2.116
54 HG3 LYS 8 1HG LYS 8 -6.311 -2.995 1.881
55 HD2 LYS 8 2HD LYS 8 -3.382 -2.816 2.580
56 HD3 LYS 8 1HD LYS 8 -4.678 -3.156 3.723
57 HE2 LYS 8 2HE LYS 8 -3.958 -4.846 1.319
58 HE3 LYS 8 1HE LYS 8 -3.520 -5.199 2.983
59 HZ1 LYS 8 1HZ LYS 8 -5.867 -5.385 3.532
60 HZ2 LYS 8 2HZ LYS 8 -5.462 -6.459 2.297
61 HZ3 LYS 8 3HZ LYS 8 -6.305 -5.052 1.944
62 H LYS 9 HN LYS 9 -4.180 -0.306 -1.838
63 HA LYS 9 HA LYS 9 -4.732 -1.534 -4.440
64 HB2 LYS 9 2HB LYS 9 -3.256 0.999 -3.709
65 HB3 LYS 9 1HB LYS 9 -3.654 0.480 -5.340
66 HG2 LYS 9 2HG LYS 9 -5.998 0.727 -4.920
67 HG3 LYS 9 1HG LYS 9 -5.700 1.049 -3.211
68 HD2 LYS 9 2HD LYS 9 -4.474 3.089 -3.838
69 HD3 LYS 9 1HD LYS 9 -4.844 2.768 -5.535
70 HE2 LYS 9 2HE LYS 9 -7.214 2.955 -5.089
71 HE3 LYS 9 1HE LYS 9 -6.902 3.157 -3.366
72 HZ1 LYS 9 1HZ LYS 9 -5.752 5.216 -3.855
73 HZ2 LYS 9 2HZ LYS 9 -7.308 5.291 -4.458
74 HZ3 LYS 9 3HZ LYS 9 -6.020 5.032 -5.494
75 H CYS 10 HN CYS 10 -3.258 -2.982 -2.579
76 HA CYS 10 HA CYS 10 -0.454 -2.738 -2.801
77 HB2 CYS 10 2HB CYS 10 -2.178 -5.027 -1.881
78 HB3 CYS 10 1HB CYS 10 -0.424 -5.048 -1.825
79 H LYS 11 HN LYS 11 -2.397 -3.460 -5.249
80 HA LYS 11 HA LYS 11 -1.026 -5.666 -6.482
81 HB2 LYS 11 2HB LYS 11 -2.542 -3.429 -7.841
82 HB3 LYS 11 1HB LYS 11 -2.152 -4.995 -8.518
83 HG2 LYS 11 2HG LYS 11 -4.041 -4.471 -6.249
84 HG3 LYS 11 1HG LYS 11 -4.502 -4.813 -7.914
85 HD2 LYS 11 2HD LYS 11 -3.323 -7.022 -7.658
86 HD3 LYS 11 1HD LYS 11 -3.148 -6.643 -5.942
87 HE2 LYS 11 2HE LYS 11 -5.732 -6.913 -7.477
88 HE3 LYS 11 1HE LYS 11 -5.107 -8.026 -6.269
89 HZ1 LYS 11 1HZ LYS 11 -5.340 -6.340 -4.605
90 HZ2 LYS 11 2HZ LYS 11 -6.816 -6.573 -5.359
91 HZ3 LYS 11 3HZ LYS 11 -5.908 -5.205 -5.716
92 H ASP 12 HN ASP 12 -0.640 -2.276 -6.119
93 HA ASP 12 HA ASP 12 1.311 -1.994 -8.235
94 HB2 ASP 12 2HB ASP 12 -0.365 -0.209 -7.646
95 HB3 ASP 12 1HB ASP 12 0.484 -0.002 -6.118
96 H ARG 13 HN ARG 13 3.450 -2.095 -7.915
97 HA ARG 13 HA ARG 13 4.461 -3.293 -5.595
98 HB2 ARG 13 2HB ARG 13 6.655 -3.048 -6.534
99 HB3 ARG 13 1HB ARG 13 5.527 -3.603 -7.762
100 HG2 ARG 13 2HG ARG 13 5.462 -1.396 -8.751
101 HG3 ARG 13 1HG ARG 13 6.461 -0.753 -7.448
102 HD2 ARG 13 2HD ARG 13 7.289 -2.833 -9.473
103 HD3 ARG 13 1HD ARG 13 7.801 -1.144 -9.436
104 HE ARG 13 HE ARG 13 8.367 -2.854 -7.131
105 HH11 ARG 13 1HH1 ARG 13 9.635 -1.030 -9.889
106 HH12 ARG 13 2HH1 ARG 13 11.249 -1.105 -9.375
107 HH21 ARG 13 1HH2 ARG 13 10.582 -2.957 -6.423
108 HH22 ARG 13 2HH2 ARG 13 11.807 -2.263 -7.357
109 H ARG 14 HN ARG 14 4.038 0.069 -6.316
110 HA ARG 14 HA ARG 14 6.068 1.003 -4.541
111 HB2 ARG 14 2HB ARG 14 3.666 2.359 -5.753
112 HB3 ARG 14 1HB ARG 14 4.869 3.190 -4.775
113 HG2 ARG 14 2HG ARG 14 6.552 2.857 -6.387
114 HG3 ARG 14 1HG ARG 14 5.577 1.681 -7.274
115 HD2 ARG 14 2HD ARG 14 4.884 4.590 -6.928
116 HD3 ARG 14 1HD ARG 14 5.680 3.916 -8.354
117 HE ARG 14 HE ARG 14 3.384 2.428 -7.889
118 HH11 ARG 14 1HH1 ARG 14 4.095 5.787 -8.715
119 HH12 ARG 14 2HH1 ARG 14 2.704 5.996 -9.672
120 HH21 ARG 14 1HH2 ARG 14 1.552 2.667 -9.224
121 HH22 ARG 14 2HH2 ARG 14 1.204 4.169 -9.977
122 H CYS 15 HN CYS 15 3.024 -0.325 -4.161
123 HA CYS 15 HA CYS 15 2.487 0.910 -1.584
124 HB2 CYS 15 2HB CYS 15 0.748 0.649 -3.351
125 HB3 CYS 15 1HB CYS 15 0.920 -1.092 -3.216
126 H LYS 16 HN LYS 16 4.395 -1.508 -2.727
127 HA LYS 16 HA LYS 16 3.522 -3.639 -0.991
128 HB2 LYS 16 2HB LYS 16 4.269 -4.124 -3.266
129 HB3 LYS 16 1HB LYS 16 5.853 -3.474 -2.895
130 HG2 LYS 16 2HG LYS 16 6.198 -5.268 -1.272
131 HG3 LYS 16 1HG LYS 16 4.613 -5.929 -1.681
132 HD2 LYS 16 2HD LYS 16 5.343 -6.195 -4.014
133 HD3 LYS 16 1HD LYS 16 6.938 -5.579 -3.571
134 HE2 LYS 16 2HE LYS 16 7.170 -7.431 -1.972
135 HE3 LYS 16 1HE LYS 16 5.612 -8.056 -2.503
136 HZ1 LYS 16 1HZ LYS 16 7.988 -7.717 -4.242
137 HZ2 LYS 16 2HZ LYS 16 6.501 -8.364 -4.697
138 HZ3 LYS 16 3HZ LYS 16 7.456 -9.173 -3.565
139 HA HYP 17 HA HYP 17 7.847 -2.544 1.167
140 HB2 HYP 17 1HB HYP 17 8.956 -0.921 -0.145
141 HB3 HYP 17 2HB HYP 17 8.479 0.072 1.249
142 HG HYP 17 HG HYP 17 6.475 0.749 0.184
143 HD22 HYP 17 1HD1 HYP 17 7.249 -1.256 -1.965
144 HD23 HYP 17 2HD1 HYP 17 5.649 -0.525 -1.691
145 HD1 HYP 17 2HD HYP 17 7.096 1.152 -1.979
146 H LEU 18 HN LEU 18 4.839 -1.143 1.166
147 HA LEU 18 HA LEU 18 4.971 0.395 3.558
148 HB2 LEU 18 2HB LEU 18 2.627 -0.526 1.909
149 HB3 LEU 18 1HB LEU 18 2.543 0.635 3.214
150 HG LEU 18 HG LEU 18 4.016 1.032 0.590
151 HD11 LEU 18 1HD1 LEU 18 2.297 2.698 0.153
152 HD12 LEU 18 2HD1 LEU 18 1.510 2.304 1.680
153 HD13 LEU 18 3HD1 LEU 18 1.572 1.107 0.390
154 HD21 LEU 18 1HD2 LEU 18 5.147 2.179 2.408
155 HD22 LEU 18 2HD2 LEU 18 3.618 2.884 2.935
156 HD23 LEU 18 3HD2 LEU 18 4.306 3.339 1.378
157 H LYS 19 HN LYS 19 4.746 -0.314 5.490
158 HA LYS 19 HA LYS 19 4.304 -3.099 6.049
159 HB2 LYS 19 2HB LYS 19 4.753 -0.737 7.888
160 HB3 LYS 19 1HB LYS 19 4.713 -2.419 8.408
161 HG2 LYS 19 2HG LYS 19 6.636 -2.923 7.021
162 HG3 LYS 19 1HG LYS 19 6.661 -1.266 6.426
163 HD2 LYS 19 2HD LYS 19 7.159 -0.455 8.661
164 HD3 LYS 19 1HD LYS 19 7.059 -2.097 9.302
165 HE2 LYS 19 2HE LYS 19 8.918 -2.773 7.864
166 HE3 LYS 19 1HE LYS 19 9.013 -1.144 7.209
167 HZ1 LYS 19 1HZ LYS 19 10.662 -1.573 8.910
168 HZ2 LYS 19 2HZ LYS 19 9.458 -1.860 10.055
169 HZ3 LYS 19 3HZ LYS 19 9.634 -0.326 9.372
170 H CYS 20 HN CYS 20 2.389 -0.436 5.641
171 HA CYS 20 HA CYS 20 0.185 -1.320 7.286
172 HB2 CYS 20 2HB CYS 20 0.721 1.128 6.667
173 HB3 CYS 20 1HB CYS 20 0.125 0.745 5.062
174 H CYS 21 HN CYS 21 1.606 -2.343 4.462
175 HA CYS 21 HA CYS 21 -0.885 -3.433 3.381
176 HB2 CYS 21 2HB CYS 21 0.416 -2.138 1.668
177 HB3 CYS 21 1HB CYS 21 1.831 -3.083 2.081
178 H ALA 22 HN ALA 22 -1.194 -5.470 4.034
179 HA ALA 22 HA ALA 22 1.137 -7.142 4.575
180 HB1 ALA 22 2HB ALA 22 -0.430 -8.609 5.765
181 HB2 ALA 22 3HB ALA 22 -1.764 -7.549 5.313
182 HB3 ALA 22 1HB ALA 22 -0.502 -6.962 6.393
183 HN1 NH2 23 2H ALA 22 0.641 -8.560 1.429
184 HN2 NH2 23 1H ALA 22 1.619 -7.555 2.446
Start of MODEL 18
1 H1 ARG 1 1HT ARG 1 -1.774 10.745 -2.470
2 H2 ARG 1 2HT ARG 1 -0.848 9.357 -2.145
3 H3 ARG 1 3HT ARG 1 -0.872 10.604 -1.048
4 HA ARG 1 HA ARG 1 -3.178 10.219 -0.536
5 HB2 ARG 1 2HB ARG 1 -4.330 8.325 -1.453
6 HB3 ARG 1 1HB ARG 1 -3.792 9.312 -2.817
7 HG2 ARG 1 2HG ARG 1 -1.979 7.754 -3.232
8 HG3 ARG 1 1HG ARG 1 -2.398 6.846 -1.782
9 HD2 ARG 1 2HD ARG 1 -4.663 6.472 -2.866
10 HD3 ARG 1 1HD ARG 1 -3.930 7.078 -4.354
11 HE ARG 1 HE ARG 1 -2.188 5.213 -3.558
12 HH11 ARG 1 1HH1 ARG 1 -5.681 5.110 -4.082
13 HH12 ARG 1 2HH1 ARG 1 -5.751 3.435 -4.360
14 HH21 ARG 1 1HH2 ARG 1 -2.252 2.895 -3.908
15 HH22 ARG 1 2HH2 ARG 1 -3.713 2.133 -4.266
16 H ASP 2 HN ASP 2 -3.718 8.533 1.070
17 HA ASP 2 HA ASP 2 -1.411 6.912 1.781
18 HB2 ASP 2 2HB ASP 2 -2.507 6.402 3.868
19 HB3 ASP 2 1HB ASP 2 -2.896 8.109 3.604
20 H CYS 3 HN CYS 3 -1.606 4.646 1.787
21 HA CYS 3 HA CYS 3 -3.774 3.751 0.022
22 HB2 CYS 3 2HB CYS 3 -1.467 3.521 -0.898
23 HB3 CYS 3 1HB CYS 3 -1.080 2.428 0.424
24 H CYS 4 HN CYS 4 -2.538 3.555 3.143
25 HA CYS 4 HA CYS 4 -3.150 0.901 3.842
26 HB2 CYS 4 2HB CYS 4 -3.063 3.372 5.579
27 HB3 CYS 4 1HB CYS 4 -3.055 1.710 6.169
28 H THR 5 HN THR 5 -5.122 3.813 3.752
29 HA THR 5 HA THR 5 -7.348 2.559 4.878
30 HB THR 5 HB THR 5 -7.085 5.046 3.136
31 HG1 THR 5 1HG THR 5 -6.040 5.471 4.753
32 HG21 THR 5 1HG2 THR 5 -9.384 4.163 3.185
33 HG22 THR 5 2HG2 THR 5 -9.282 5.656 4.140
34 HG23 THR 5 3HG2 THR 5 -9.302 4.068 4.934
35 HA HYP 6 HA HYP 6 -7.770 -0.167 1.285
36 HB2 HYP 6 1HB HYP 6 -8.813 -1.853 2.409
37 HB3 HYP 6 2HB HYP 6 -10.350 -0.984 2.308
38 HG HYP 6 HG HYP 6 -9.933 -0.942 4.679
39 HD22 HYP 6 1HD1 HYP 6 -8.770 1.356 4.939
40 HD23 HYP 6 2HD1 HYP 6 -10.127 1.344 3.775
41 HD1 HYP 6 2HD HYP 6 -7.416 -0.066 4.415
42 HA HYP 7 HA HYP 7 -8.964 -1.622 -0.077
43 HB2 HYP 7 1HB HYP 7 -10.298 -2.329 -1.779
44 HB3 HYP 7 2HB HYP 7 -9.258 -1.450 -2.902
45 HG HYP 7 HG HYP 7 -11.184 -0.191 -3.237
46 HD22 HYP 7 1HD1 HYP 7 -11.248 1.541 -1.175
47 HD23 HYP 7 2HD1 HYP 7 -9.775 1.445 -2.169
48 HD1 HYP 7 2HD HYP 7 -12.510 0.112 -1.194
49 H LYS 8 HN LYS 8 -6.962 -2.179 -0.356
50 HA LYS 8 HA LYS 8 -5.213 -0.404 -1.841
51 HB2 LYS 8 2HB LYS 8 -3.436 -1.319 -0.208
52 HB3 LYS 8 1HB LYS 8 -4.497 -0.017 0.295
53 HG2 LYS 8 2HG LYS 8 -5.841 -1.498 1.522
54 HG3 LYS 8 1HG LYS 8 -4.949 -2.909 0.931
55 HD2 LYS 8 2HD LYS 8 -2.952 -2.105 2.116
56 HD3 LYS 8 1HD LYS 8 -3.788 -0.615 2.546
57 HE2 LYS 8 2HE LYS 8 -3.738 -2.025 4.477
58 HE3 LYS 8 1HE LYS 8 -5.390 -1.975 3.876
59 HZ1 LYS 8 1HZ LYS 8 -4.780 -4.179 4.502
60 HZ2 LYS 8 2HZ LYS 8 -3.427 -4.177 3.510
61 HZ3 LYS 8 3HZ LYS 8 -4.973 -4.173 2.824
62 H LYS 9 HN LYS 9 -3.774 -1.247 -3.138
63 HA LYS 9 HA LYS 9 -3.886 -4.153 -3.516
64 HB2 LYS 9 2HB LYS 9 -3.396 -1.990 -5.564
65 HB3 LYS 9 1HB LYS 9 -3.289 -3.715 -5.869
66 HG2 LYS 9 2HG LYS 9 -5.779 -2.261 -5.010
67 HG3 LYS 9 1HG LYS 9 -5.379 -2.722 -6.666
68 HD2 LYS 9 2HD LYS 9 -5.343 -5.079 -5.986
69 HD3 LYS 9 1HD LYS 9 -5.775 -4.605 -4.342
70 HE2 LYS 9 2HE LYS 9 -7.739 -5.347 -5.534
71 HE3 LYS 9 1HE LYS 9 -7.852 -3.627 -5.180
72 HZ1 LYS 9 1HZ LYS 9 -7.088 -4.827 -7.783
73 HZ2 LYS 9 2HZ LYS 9 -7.154 -3.179 -7.479
74 HZ3 LYS 9 3HZ LYS 9 -8.565 -4.094 -7.439
75 H CYS 10 HN CYS 10 -2.122 -5.003 -2.728
76 HA CYS 10 HA CYS 10 0.345 -3.527 -2.615
77 HB2 CYS 10 2HB CYS 10 -0.469 -5.154 -0.847
78 HB3 CYS 10 1HB CYS 10 -0.164 -6.446 -1.997
79 H LYS 11 HN LYS 11 -1.294 -5.011 -4.946
80 HA LYS 11 HA LYS 11 0.535 -6.502 -6.468
81 HB2 LYS 11 2HB LYS 11 -1.894 -6.494 -6.866
82 HB3 LYS 11 1HB LYS 11 -1.820 -4.811 -7.331
83 HG2 LYS 11 2HG LYS 11 -2.022 -6.230 -9.292
84 HG3 LYS 11 1HG LYS 11 -0.474 -5.397 -9.289
85 HD2 LYS 11 2HD LYS 11 -0.209 -7.714 -9.988
86 HD3 LYS 11 1HD LYS 11 0.620 -7.435 -8.461
87 HE2 LYS 11 2HE LYS 11 -0.556 -9.561 -8.405
88 HE3 LYS 11 1HE LYS 11 -1.284 -8.444 -7.264
89 HZ1 LYS 11 1HZ LYS 11 -3.074 -8.039 -8.855
90 HZ2 LYS 11 2HZ LYS 11 -2.916 -9.680 -8.507
91 HZ3 LYS 11 3HZ LYS 11 -2.326 -9.081 -9.964
92 H ASP 12 HN ASP 12 -0.027 -3.065 -6.089
93 HA ASP 12 HA ASP 12 2.001 -2.612 -8.127
94 HB2 ASP 12 2HB ASP 12 -0.162 -1.381 -8.425
95 HB3 ASP 12 1HB ASP 12 0.168 -0.540 -6.908
96 H ARG 13 HN ARG 13 3.729 -1.335 -7.676
97 HA ARG 13 HA ARG 13 4.963 -1.793 -5.252
98 HB2 ARG 13 2HB ARG 13 6.756 -0.319 -6.043
99 HB3 ARG 13 1HB ARG 13 6.232 -1.444 -7.280
100 HG2 ARG 13 2HG ARG 13 4.938 0.362 -8.337
101 HG3 ARG 13 1HG ARG 13 5.522 1.471 -7.095
102 HD2 ARG 13 2HD ARG 13 7.237 -0.056 -9.048
103 HD3 ARG 13 1HD ARG 13 6.843 1.658 -9.151
104 HE ARG 13 HE ARG 13 7.987 1.793 -6.896
105 HH11 ARG 13 1HH1 ARG 13 8.971 -0.542 -9.381
106 HH12 ARG 13 2HH1 ARG 13 10.584 -0.631 -8.855
107 HH21 ARG 13 1HH2 ARG 13 10.253 1.685 -6.183
108 HH22 ARG 13 2HH2 ARG 13 11.325 0.666 -6.996
109 H ARG 14 HN ARG 14 2.925 0.854 -6.210
110 HA ARG 14 HA ARG 14 3.653 2.832 -4.380
111 HB2 ARG 14 2HB ARG 14 0.914 2.146 -5.459
112 HB3 ARG 14 1HB ARG 14 1.278 3.604 -4.552
113 HG2 ARG 14 2HG ARG 14 2.764 4.370 -6.285
114 HG3 ARG 14 1HG ARG 14 2.581 2.845 -7.152
115 HD2 ARG 14 2HD ARG 14 0.177 3.330 -7.433
116 HD3 ARG 14 1HD ARG 14 0.412 4.883 -6.634
117 HE ARG 14 HE ARG 14 2.216 4.924 -8.648
118 HH11 ARG 14 1HH1 ARG 14 -1.326 4.404 -8.565
119 HH12 ARG 14 2HH1 ARG 14 -1.548 4.979 -10.149
120 HH21 ARG 14 1HH2 ARG 14 1.815 5.689 -10.878
121 HH22 ARG 14 2HH2 ARG 14 0.202 5.716 -11.439
122 H CYS 15 HN CYS 15 1.896 -0.140 -3.846
123 HA CYS 15 HA CYS 15 1.554 0.708 -1.055
124 HB2 CYS 15 2HB CYS 15 -0.231 -1.162 -2.605
125 HB3 CYS 15 1HB CYS 15 -0.479 -0.564 -0.965
126 H LYS 16 HN LYS 16 3.636 -0.933 -2.688
127 HA LYS 16 HA LYS 16 3.239 -3.477 -1.345
128 HB2 LYS 16 2HB LYS 16 3.597 -3.504 -3.804
129 HB3 LYS 16 1HB LYS 16 5.220 -2.882 -3.535
130 HG2 LYS 16 2HG LYS 16 5.959 -4.874 -2.562
131 HG3 LYS 16 1HG LYS 16 4.317 -5.444 -2.278
132 HD2 LYS 16 2HD LYS 16 5.307 -6.682 -4.113
133 HD3 LYS 16 1HD LYS 16 3.997 -5.674 -4.707
134 HE2 LYS 16 2HE LYS 16 5.647 -4.029 -5.490
135 HE3 LYS 16 1HE LYS 16 6.942 -5.071 -4.899
136 HZ1 LYS 16 1HZ LYS 16 4.992 -5.723 -7.030
137 HZ2 LYS 16 2HZ LYS 16 6.121 -6.806 -6.423
138 HZ3 LYS 16 3HZ LYS 16 6.629 -5.426 -7.245
139 HA HYP 17 HA HYP 17 7.238 -2.373 0.758
140 HB2 HYP 17 1HB HYP 17 8.196 -0.730 -0.685
141 HB3 HYP 17 2HB HYP 17 8.211 0.048 0.908
142 HG HYP 17 HG HYP 17 6.365 1.362 0.402
143 HD22 HYP 17 1HD1 HYP 17 5.425 -0.130 -1.954
144 HD23 HYP 17 2HD1 HYP 17 4.509 0.302 -0.506
145 HD1 HYP 17 2HD HYP 17 6.294 1.684 -1.883
146 H LEU 18 HN LEU 18 4.317 -1.363 1.335
147 HA LEU 18 HA LEU 18 4.755 0.157 3.789
148 HB2 LEU 18 2HB LEU 18 2.215 -0.505 2.309
149 HB3 LEU 18 1HB LEU 18 2.333 0.531 3.714
150 HG LEU 18 HG LEU 18 3.562 1.134 1.006
151 HD11 LEU 18 1HD1 LEU 18 1.833 2.833 0.846
152 HD12 LEU 18 2HD1 LEU 18 1.152 2.300 2.383
153 HD13 LEU 18 3HD1 LEU 18 1.120 1.224 0.986
154 HD21 LEU 18 1HD2 LEU 18 3.352 2.801 3.515
155 HD22 LEU 18 2HD2 LEU 18 3.947 3.356 1.951
156 HD23 LEU 18 3HD2 LEU 18 4.837 2.122 2.839
157 H LYS 19 HN LYS 19 4.007 -0.540 5.767
158 HA LYS 19 HA LYS 19 3.943 -3.365 6.175
159 HB2 LYS 19 2HB LYS 19 3.292 -1.169 8.136
160 HB3 LYS 19 1HB LYS 19 3.589 -2.856 8.526
161 HG2 LYS 19 2HG LYS 19 5.893 -2.517 7.488
162 HG3 LYS 19 1HG LYS 19 5.522 -0.797 7.534
163 HD2 LYS 19 2HD LYS 19 6.800 -1.427 9.495
164 HD3 LYS 19 1HD LYS 19 5.164 -0.961 9.963
165 HE2 LYS 19 2HE LYS 19 5.997 -2.992 11.120
166 HE3 LYS 19 1HE LYS 19 4.519 -3.285 10.217
167 HZ1 LYS 19 1HZ LYS 19 7.259 -3.916 9.260
168 HZ2 LYS 19 2HZ LYS 19 5.827 -4.363 8.482
169 HZ3 LYS 19 3HZ LYS 19 6.228 -5.013 9.977
170 H CYS 20 HN CYS 20 1.659 -1.096 5.401
171 HA CYS 20 HA CYS 20 -0.628 -2.351 6.522
172 HB2 CYS 20 2HB CYS 20 -0.452 -0.493 4.137
173 HB3 CYS 20 1HB CYS 20 -1.892 -0.835 5.096
174 H CYS 21 HN CYS 21 1.481 -3.225 4.018
175 HA CYS 21 HA CYS 21 -0.508 -4.793 2.613
176 HB2 CYS 21 2HB CYS 21 1.128 -3.849 1.136
177 HB3 CYS 21 1HB CYS 21 2.456 -4.365 2.173
178 H ALA 22 HN ALA 22 -1.034 -6.674 3.416
179 HA ALA 22 HA ALA 22 0.878 -8.086 5.114
180 HB1 ALA 22 2HB ALA 22 -1.355 -7.740 6.052
181 HB2 ALA 22 3HB ALA 22 -1.041 -9.460 5.805
182 HB3 ALA 22 1HB ALA 22 -2.071 -8.579 4.677
183 HN1 NH2 23 2H ALA 22 -0.588 -10.518 2.208
184 HN2 NH2 23 1H ALA 22 -1.643 -9.627 3.233
Start of MODEL 19
1 H1 ARG 1 1HT ARG 1 -0.965 9.789 -1.690
2 H2 ARG 1 2HT ARG 1 -2.497 9.424 -1.080
3 H3 ARG 1 3HT ARG 1 -1.543 8.212 -1.762
4 HA ARG 1 HA ARG 1 0.085 8.398 -0.102
5 HB2 ARG 1 2HB ARG 1 -0.381 9.673 1.946
6 HB3 ARG 1 1HB ARG 1 -0.140 10.712 0.545
7 HG2 ARG 1 2HG ARG 1 -2.542 11.070 0.389
8 HG3 ARG 1 1HG ARG 1 -2.808 9.956 1.731
9 HD2 ARG 1 2HD ARG 1 -1.233 12.521 1.882
10 HD3 ARG 1 1HD ARG 1 -2.908 12.337 2.405
11 HE ARG 1 HE ARG 1 -0.934 10.562 3.597
12 HH11 ARG 1 1HH1 ARG 1 -2.936 13.440 3.983
13 HH12 ARG 1 2HH1 ARG 1 -2.727 13.533 5.659
14 HH21 ARG 1 1HH2 ARG 1 -0.663 10.644 5.872
15 HH22 ARG 1 2HH2 ARG 1 -1.397 11.872 6.799
16 H ASP 2 HN ASP 2 -3.264 7.775 -0.390
17 HA ASP 2 HA ASP 2 -3.429 6.487 2.168
18 HB2 ASP 2 2HB ASP 2 -5.736 5.966 1.638
19 HB3 ASP 2 1HB ASP 2 -5.423 7.650 1.277
20 H CYS 3 HN CYS 3 -2.730 4.618 2.523
21 HA CYS 3 HA CYS 3 -2.704 2.659 0.329
22 HB2 CYS 3 2HB CYS 3 -0.444 3.364 1.014
23 HB3 CYS 3 1HB CYS 3 -0.788 2.831 2.655
24 H CYS 4 HN CYS 4 -3.699 3.349 3.543
25 HA CYS 4 HA CYS 4 -4.453 0.553 3.933
26 HB2 CYS 4 2HB CYS 4 -4.525 2.860 5.891
27 HB3 CYS 4 1HB CYS 4 -4.822 1.166 6.268
28 H THR 5 HN THR 5 -5.741 3.523 2.938
29 HA THR 5 HA THR 5 -8.378 3.146 3.776
30 HB THR 5 HB THR 5 -7.380 4.671 1.360
31 HG1 THR 5 1HG THR 5 -7.863 5.520 4.017
32 HG21 THR 5 1HG2 THR 5 -9.789 4.318 1.406
33 HG22 THR 5 2HG2 THR 5 -9.432 6.022 1.752
34 HG23 THR 5 3HG2 THR 5 -9.863 4.905 3.058
35 HA HYP 6 HA HYP 6 -9.178 -0.062 0.748
36 HB2 HYP 6 1HB HYP 6 -10.756 -1.256 1.900
37 HB3 HYP 6 2HB HYP 6 -11.970 0.001 1.614
38 HG HYP 6 HG HYP 6 -11.599 0.145 3.989
39 HD22 HYP 6 1HD1 HYP 6 -9.917 2.106 4.050
40 HD23 HYP 6 2HD1 HYP 6 -11.246 2.303 2.869
41 HD1 HYP 6 2HD HYP 6 -8.937 0.361 3.736
42 HA HYP 7 HA HYP 7 -9.863 -1.168 -0.773
43 HB2 HYP 7 1HB HYP 7 -10.450 -2.025 -2.821
44 HB3 HYP 7 2HB HYP 7 -9.753 -0.646 -3.683
45 HG HYP 7 HG HYP 7 -12.113 -0.328 -3.894
46 HD22 HYP 7 1HD1 HYP 7 -12.418 1.447 -1.928
47 HD23 HYP 7 2HD1 HYP 7 -11.085 1.716 -3.079
48 HD1 HYP 7 2HD HYP 7 -13.458 -0.847 -2.492
49 H LYS 8 HN LYS 8 -7.843 -1.651 -0.601
50 HA LYS 8 HA LYS 8 -5.849 0.221 -1.573
51 HB2 LYS 8 2HB LYS 8 -4.428 -0.988 0.199
52 HB3 LYS 8 1HB LYS 8 -5.635 0.173 0.735
53 HG2 LYS 8 2HG LYS 8 -7.143 -1.518 1.278
54 HG3 LYS 8 1HG LYS 8 -6.112 -2.788 0.599
55 HD2 LYS 8 2HD LYS 8 -5.547 -1.015 2.998
56 HD3 LYS 8 1HD LYS 8 -6.069 -2.693 3.077
57 HE2 LYS 8 2HE LYS 8 -4.000 -3.358 1.905
58 HE3 LYS 8 1HE LYS 8 -3.477 -1.674 1.926
59 HZ1 LYS 8 1HZ LYS 8 -4.050 -3.317 4.316
60 HZ2 LYS 8 2HZ LYS 8 -3.542 -1.732 4.339
61 HZ3 LYS 8 3HZ LYS 8 -2.510 -2.928 3.773
62 H LYS 9 HN LYS 9 -4.192 -0.470 -2.759
63 HA LYS 9 HA LYS 9 -4.393 -3.234 -3.727
64 HB2 LYS 9 2HB LYS 9 -3.222 -0.873 -5.224
65 HB3 LYS 9 1HB LYS 9 -3.516 -2.476 -5.867
66 HG2 LYS 9 2HG LYS 9 -5.636 -0.514 -4.988
67 HG3 LYS 9 1HG LYS 9 -5.165 -0.833 -6.652
68 HD2 LYS 9 2HD LYS 9 -6.332 -2.902 -4.774
69 HD3 LYS 9 1HD LYS 9 -7.273 -1.969 -5.932
70 HE2 LYS 9 2HE LYS 9 -5.947 -2.921 -7.765
71 HE3 LYS 9 1HE LYS 9 -5.016 -3.859 -6.601
72 HZ1 LYS 9 1HZ LYS 9 -7.939 -4.105 -7.072
73 HZ2 LYS 9 2HZ LYS 9 -7.076 -5.024 -5.979
74 HZ3 LYS 9 3HZ LYS 9 -6.784 -5.179 -7.626
75 H CYS 10 HN CYS 10 -2.887 -4.292 -2.485
76 HA CYS 10 HA CYS 10 -0.355 -3.015 -1.913
77 HB2 CYS 10 2HB CYS 10 -1.416 -5.704 -1.085
78 HB3 CYS 10 1HB CYS 10 0.066 -4.947 -0.527
79 H LYS 11 HN LYS 11 -1.578 -4.894 -4.364
80 HA LYS 11 HA LYS 11 0.951 -6.200 -4.863
81 HB2 LYS 11 2HB LYS 11 -1.647 -6.263 -6.397
82 HB3 LYS 11 1HB LYS 11 -0.202 -7.135 -6.889
83 HG2 LYS 11 2HG LYS 11 -0.230 -8.351 -4.752
84 HG3 LYS 11 1HG LYS 11 -1.715 -7.513 -4.313
85 HD2 LYS 11 2HD LYS 11 -2.864 -8.527 -6.206
86 HD3 LYS 11 1HD LYS 11 -1.367 -9.316 -6.709
87 HE2 LYS 11 2HE LYS 11 -2.812 -9.769 -4.097
88 HE3 LYS 11 1HE LYS 11 -2.832 -10.860 -5.479
89 HZ1 LYS 11 1HZ LYS 11 -1.220 -11.571 -3.793
90 HZ2 LYS 11 2HZ LYS 11 -0.436 -10.116 -3.880
91 HZ3 LYS 11 3HZ LYS 11 -0.413 -11.149 -5.205
92 H ASP 12 HN ASP 12 -0.187 -3.243 -5.233
93 HA ASP 12 HA ASP 12 1.208 -2.621 -7.724
94 HB2 ASP 12 2HB ASP 12 -0.999 -1.504 -7.204
95 HB3 ASP 12 1HB ASP 12 -0.248 -0.780 -5.788
96 H ARG 13 HN ARG 13 3.096 -1.315 -7.650
97 HA ARG 13 HA ARG 13 4.833 -1.919 -5.563
98 HB2 ARG 13 2HB ARG 13 5.089 0.219 -7.667
99 HB3 ARG 13 1HB ARG 13 6.372 -0.234 -6.558
100 HG2 ARG 13 2HG ARG 13 6.326 -2.513 -7.454
101 HG3 ARG 13 1HG ARG 13 5.080 -2.030 -8.603
102 HD2 ARG 13 2HD ARG 13 7.864 -0.893 -8.402
103 HD3 ARG 13 1HD ARG 13 7.301 -2.022 -9.630
104 HE ARG 13 HE ARG 13 5.606 0.114 -9.775
105 HH11 ARG 13 1HH1 ARG 13 9.093 -0.404 -10.176
106 HH12 ARG 13 2HH1 ARG 13 9.315 0.931 -11.215
107 HH21 ARG 13 1HH2 ARG 13 5.942 1.975 -11.247
108 HH22 ARG 13 2HH2 ARG 13 7.510 2.261 -11.848
109 H ARG 14 HN ARG 14 2.679 0.786 -5.911
110 HA ARG 14 HA ARG 14 3.903 2.584 -4.135
111 HB2 ARG 14 2HB ARG 14 0.996 2.208 -4.796
112 HB3 ARG 14 1HB ARG 14 1.648 3.579 -3.911
113 HG2 ARG 14 2HG ARG 14 2.916 4.280 -5.821
114 HG3 ARG 14 1HG ARG 14 2.464 2.816 -6.699
115 HD2 ARG 14 2HD ARG 14 0.107 3.498 -6.498
116 HD3 ARG 14 1HD ARG 14 0.634 5.028 -5.801
117 HE ARG 14 HE ARG 14 1.916 5.277 -7.946
118 HH11 ARG 14 1HH1 ARG 14 -1.122 3.468 -7.746
119 HH12 ARG 14 2HH1 ARG 14 -1.587 3.735 -9.356
120 HH21 ARG 14 1HH2 ARG 14 1.299 5.655 -10.186
121 HH22 ARG 14 2HH2 ARG 14 -0.164 5.038 -10.793
122 H CYS 15 HN CYS 15 2.089 -0.307 -3.516
123 HA CYS 15 HA CYS 15 2.338 0.289 -0.669
124 HB2 CYS 15 2HB CYS 15 0.029 -0.989 -2.094
125 HB3 CYS 15 1HB CYS 15 0.327 -1.235 -0.369
126 H LYS 16 HN LYS 16 3.918 -1.227 -2.774
127 HA LYS 16 HA LYS 16 3.675 -3.924 -1.824
128 HB2 LYS 16 2HB LYS 16 4.286 -3.458 -4.169
129 HB3 LYS 16 1HB LYS 16 5.788 -2.723 -3.623
130 HG2 LYS 16 2HG LYS 16 6.487 -4.868 -2.687
131 HG3 LYS 16 1HG LYS 16 4.987 -5.603 -3.251
132 HD2 LYS 16 2HD LYS 16 5.606 -5.021 -5.563
133 HD3 LYS 16 1HD LYS 16 7.129 -4.356 -4.970
134 HE2 LYS 16 2HE LYS 16 6.221 -7.220 -4.682
135 HE3 LYS 16 1HE LYS 16 7.400 -6.631 -5.847
136 HZ1 LYS 16 1HZ LYS 16 8.501 -7.613 -3.954
137 HZ2 LYS 16 2HZ LYS 16 7.717 -6.608 -2.875
138 HZ3 LYS 16 3HZ LYS 16 8.823 -5.970 -3.958
139 HA HYP 17 HA HYP 17 7.667 -2.952 0.526
140 HB2 HYP 17 1HB HYP 17 8.756 -1.429 -0.956
141 HB3 HYP 17 2HB HYP 17 8.812 -0.609 0.616
142 HG HYP 17 HG HYP 17 7.072 0.829 0.048
143 HD22 HYP 17 1HD1 HYP 17 6.023 -0.639 -2.262
144 HD23 HYP 17 2HD1 HYP 17 5.158 -0.131 -0.805
145 HD1 HYP 17 2HD HYP 17 6.980 1.012 -2.238
146 H LEU 18 HN LEU 18 4.783 -1.637 1.044
147 HA LEU 18 HA LEU 18 5.422 -0.113 3.435
148 HB2 LEU 18 2HB LEU 18 2.858 -0.403 1.897
149 HB3 LEU 18 1HB LEU 18 2.985 0.504 3.384
150 HG LEU 18 HG LEU 18 4.348 1.140 0.757
151 HD11 LEU 18 1HD1 LEU 18 1.983 1.743 0.870
152 HD12 LEU 18 2HD1 LEU 18 3.016 3.171 0.869
153 HD13 LEU 18 3HD1 LEU 18 2.277 2.619 2.368
154 HD21 LEU 18 1HD2 LEU 18 4.582 2.493 3.434
155 HD22 LEU 18 2HD2 LEU 18 5.152 3.144 1.901
156 HD23 LEU 18 3HD2 LEU 18 5.875 1.670 2.547
157 H LYS 19 HN LYS 19 4.758 -0.582 5.430
158 HA LYS 19 HA LYS 19 4.432 -3.373 5.959
159 HB2 LYS 19 2HB LYS 19 4.501 -1.042 7.867
160 HB3 LYS 19 1HB LYS 19 4.538 -2.732 8.336
161 HG2 LYS 19 2HG LYS 19 6.629 -1.258 6.749
162 HG3 LYS 19 1HG LYS 19 6.760 -1.790 8.420
163 HD2 LYS 19 2HD LYS 19 6.506 -3.588 6.001
164 HD3 LYS 19 1HD LYS 19 7.984 -3.279 6.892
165 HE2 LYS 19 2HE LYS 19 6.922 -4.273 8.906
166 HE3 LYS 19 1HE LYS 19 5.509 -4.666 7.926
167 HZ1 LYS 19 1HZ LYS 19 8.264 -5.715 7.589
168 HZ2 LYS 19 2HZ LYS 19 7.029 -5.971 6.485
169 HZ3 LYS 19 3HZ LYS 19 6.893 -6.585 8.040
170 H CYS 20 HN CYS 20 2.269 -0.921 5.369
171 HA CYS 20 HA CYS 20 0.067 -1.921 6.897
172 HB2 CYS 20 2HB CYS 20 0.133 0.419 6.047
173 HB3 CYS 20 1HB CYS 20 0.122 -0.180 4.396
174 H CYS 21 HN CYS 21 1.792 -2.997 4.214
175 HA CYS 21 HA CYS 21 -0.352 -4.815 3.471
176 HB2 CYS 21 2HB CYS 21 1.772 -3.521 1.783
177 HB3 CYS 21 1HB CYS 21 0.764 -4.849 1.224
178 H ALA 22 HN ALA 22 0.686 -6.871 2.475
179 HA ALA 22 HA ALA 22 2.583 -7.814 4.388
180 HB1 ALA 22 2HB ALA 22 2.293 -9.974 3.233
181 HB2 ALA 22 3HB ALA 22 1.324 -9.168 2.006
182 HB3 ALA 22 1HB ALA 22 0.747 -9.242 3.667
183 HN1 NH2 23 2H ALA 22 4.261 -7.770 0.669
184 HN2 NH2 23 1H ALA 22 2.578 -8.097 0.890
Start of MODEL 20
1 H1 ARG 1 1HT ARG 1 0.385 8.874 -1.512
2 H2 ARG 1 2HT ARG 1 -1.130 9.450 -1.902
3 H3 ARG 1 3HT ARG 1 0.125 9.564 -3.042
4 HA ARG 1 HA ARG 1 -1.403 7.788 -3.561
5 HB2 ARG 1 2HB ARG 1 0.972 7.446 -4.120
6 HB3 ARG 1 1HB ARG 1 1.279 6.817 -2.511
7 HG2 ARG 1 2HG ARG 1 1.184 5.029 -4.151
8 HG3 ARG 1 1HG ARG 1 -0.144 4.884 -3.001
9 HD2 ARG 1 2HD ARG 1 -0.888 4.456 -5.286
10 HD3 ARG 1 1HD ARG 1 -1.660 5.889 -4.619
11 HE ARG 1 HE ARG 1 0.725 6.407 -6.149
12 HH11 ARG 1 1HH1 ARG 1 -2.811 6.183 -6.227
13 HH12 ARG 1 2HH1 ARG 1 -2.964 6.932 -7.746
14 HH21 ARG 1 1HH2 ARG 1 0.509 7.468 -8.237
15 HH22 ARG 1 2HH2 ARG 1 -1.033 7.665 -8.919
16 H ASP 2 HN ASP 2 -3.141 7.310 -2.351
17 HA ASP 2 HA ASP 2 -2.856 6.308 0.349
18 HB2 ASP 2 2HB ASP 2 -5.352 6.584 -1.342
19 HB3 ASP 2 1HB ASP 2 -5.320 6.188 0.365
20 H CYS 3 HN CYS 3 -2.326 4.258 0.542
21 HA CYS 3 HA CYS 3 -3.617 2.378 -1.280
22 HB2 CYS 3 2HB CYS 3 -1.162 2.576 -1.674
23 HB3 CYS 3 1HB CYS 3 -0.896 2.014 -0.027
24 H CYS 4 HN CYS 4 -2.290 2.861 1.989
25 HA CYS 4 HA CYS 4 -3.282 0.436 3.086
26 HB2 CYS 4 2HB CYS 4 -2.487 3.028 4.422
27 HB3 CYS 4 1HB CYS 4 -2.882 1.550 5.286
28 H THR 5 HN THR 5 -4.800 3.477 2.512
29 HA THR 5 HA THR 5 -6.893 3.075 4.335
30 HB THR 5 HB THR 5 -6.943 4.747 1.801
31 HG1 THR 5 1HG THR 5 -6.463 6.427 3.447
32 HG21 THR 5 1HG2 THR 5 -8.701 5.994 2.991
33 HG22 THR 5 2HG2 THR 5 -8.504 4.894 4.371
34 HG23 THR 5 3HG2 THR 5 -9.120 4.274 2.852
35 HA HYP 6 HA HYP 6 -8.641 -0.283 1.989
36 HB2 HYP 6 1HB HYP 6 -9.919 -1.349 3.568
37 HB3 HYP 6 2HB HYP 6 -11.003 0.045 3.731
38 HG HYP 6 HG HYP 6 -9.682 -0.014 5.794
39 HD22 HYP 6 1HD1 HYP 6 -8.163 1.983 5.206
40 HD23 HYP 6 2HD1 HYP 6 -9.840 2.173 4.609
41 HD1 HYP 6 2HD HYP 6 -7.404 0.269 4.452
42 HA HYP 7 HA HYP 7 -10.078 -1.706 0.942
43 HB2 HYP 7 1HB HYP 7 -11.382 -2.370 -0.806
44 HB3 HYP 7 2HB HYP 7 -10.218 -1.644 -1.922
45 HG HYP 7 HG HYP 7 -12.069 -0.252 -2.360
46 HD22 HYP 7 1HD1 HYP 7 -11.889 1.639 -0.493
47 HD23 HYP 7 2HD1 HYP 7 -10.416 1.275 -1.431
48 HD1 HYP 7 2HD HYP 7 -12.777 -0.237 0.313
49 H LYS 8 HN LYS 8 -8.065 -2.006 1.350
50 HA LYS 8 HA LYS 8 -6.038 -0.689 -0.197
51 HB2 LYS 8 2HB LYS 8 -4.466 -1.915 1.431
52 HB3 LYS 8 1HB LYS 8 -5.431 -0.585 2.044
53 HG2 LYS 8 2HG LYS 8 -6.874 -1.956 3.084
54 HG3 LYS 8 1HG LYS 8 -6.294 -3.428 2.275
55 HD2 LYS 8 2HD LYS 8 -4.110 -3.103 3.482
56 HD3 LYS 8 1HD LYS 8 -4.779 -1.677 4.266
57 HE2 LYS 8 2HE LYS 8 -5.820 -4.497 4.593
58 HE3 LYS 8 1HE LYS 8 -4.757 -3.678 5.726
59 HZ1 LYS 8 1HZ LYS 8 -6.543 -2.003 6.067
60 HZ2 LYS 8 2HZ LYS 8 -6.977 -3.539 6.507
61 HZ3 LYS 8 3HZ LYS 8 -7.577 -2.902 5.083
62 H LYS 9 HN LYS 9 -5.018 -1.500 -1.685
63 HA LYS 9 HA LYS 9 -5.008 -4.378 -2.148
64 HB2 LYS 9 2HB LYS 9 -5.758 -2.258 -4.179
65 HB3 LYS 9 1HB LYS 9 -5.446 -3.942 -4.576
66 HG2 LYS 9 2HG LYS 9 -7.339 -4.647 -3.226
67 HG3 LYS 9 1HG LYS 9 -7.620 -2.986 -2.716
68 HD2 LYS 9 2HD LYS 9 -7.770 -3.959 -5.565
69 HD3 LYS 9 1HD LYS 9 -9.154 -3.814 -4.484
70 HE2 LYS 9 2HE LYS 9 -8.672 -1.395 -4.250
71 HE3 LYS 9 1HE LYS 9 -7.355 -1.569 -5.408
72 HZ1 LYS 9 1HZ LYS 9 -8.963 -2.271 -7.072
73 HZ2 LYS 9 2HZ LYS 9 -9.385 -0.762 -6.461
74 HZ3 LYS 9 3HZ LYS 9 -10.218 -2.122 -5.965
75 H CYS 10 HN CYS 10 -2.960 -4.776 -1.944
76 HA CYS 10 HA CYS 10 -0.919 -2.878 -2.571
77 HB2 CYS 10 2HB CYS 10 -0.660 -4.475 -0.707
78 HB3 CYS 10 1HB CYS 10 -0.672 -5.813 -1.844
79 H LYS 11 HN LYS 11 -1.349 -2.469 -4.752
80 HA LYS 11 HA LYS 11 -0.354 -4.551 -6.581
81 HB2 LYS 11 2HB LYS 11 -2.717 -4.043 -6.992
82 HB3 LYS 11 1HB LYS 11 -2.335 -2.339 -7.179
83 HG2 LYS 11 2HG LYS 11 -0.929 -2.912 -9.139
84 HG3 LYS 11 1HG LYS 11 -1.444 -4.586 -8.974
85 HD2 LYS 11 2HD LYS 11 -3.283 -2.237 -9.454
86 HD3 LYS 11 1HD LYS 11 -2.708 -3.345 -10.696
87 HE2 LYS 11 2HE LYS 11 -3.819 -5.205 -9.531
88 HE3 LYS 11 1HE LYS 11 -4.406 -4.079 -8.306
89 HZ1 LYS 11 1HZ LYS 11 -5.649 -2.915 -10.031
90 HZ2 LYS 11 2HZ LYS 11 -6.090 -4.529 -9.974
91 HZ3 LYS 11 3HZ LYS 11 -5.072 -3.986 -11.194
92 H ASP 12 HN ASP 12 -0.403 -1.099 -5.845
93 HA ASP 12 HA ASP 12 1.510 -0.474 -7.875
94 HB2 ASP 12 2HB ASP 12 -0.177 1.191 -7.045
95 HB3 ASP 12 1HB ASP 12 0.661 1.211 -5.499
96 H ARG 13 HN ARG 13 3.696 0.121 -7.537
97 HA ARG 13 HA ARG 13 5.123 -1.475 -5.743
98 HB2 ARG 13 2HB ARG 13 6.062 1.011 -7.169
99 HB3 ARG 13 1HB ARG 13 7.095 -0.146 -6.347
100 HG2 ARG 13 2HG ARG 13 6.380 -1.884 -7.926
101 HG3 ARG 13 1HG ARG 13 5.379 -0.692 -8.759
102 HD2 ARG 13 2HD ARG 13 7.358 0.623 -9.300
103 HD3 ARG 13 1HD ARG 13 8.376 -0.516 -8.424
104 HE ARG 13 HE ARG 13 6.854 -1.804 -10.430
105 HH11 ARG 13 1HH1 ARG 13 9.778 0.174 -9.993
106 HH12 ARG 13 2HH1 ARG 13 10.546 -0.396 -11.387
107 HH21 ARG 13 1HH2 ARG 13 7.969 -2.613 -12.372
108 HH22 ARG 13 2HH2 ARG 13 9.513 -2.024 -12.756
109 H ARG 14 HN ARG 14 3.819 1.748 -5.352
110 HA ARG 14 HA ARG 14 5.372 2.518 -3.104
111 HB2 ARG 14 2HB ARG 14 2.646 3.417 -4.039
112 HB3 ARG 14 1HB ARG 14 3.498 4.155 -2.695
113 HG2 ARG 14 2HG ARG 14 4.548 4.022 -5.507
114 HG3 ARG 14 1HG ARG 14 3.687 5.401 -4.826
115 HD2 ARG 14 2HD ARG 14 5.409 5.736 -3.189
116 HD3 ARG 14 1HD ARG 14 6.235 4.257 -3.677
117 HE ARG 14 HE ARG 14 6.155 5.623 -5.943
118 HH11 ARG 14 1HH1 ARG 14 7.134 6.680 -2.702
119 HH12 ARG 14 2HH1 ARG 14 8.371 7.712 -3.262
120 HH21 ARG 14 1HH2 ARG 14 7.867 7.031 -6.701
121 HH22 ARG 14 2HH2 ARG 14 8.809 7.906 -5.588
122 H CYS 15 HN CYS 15 2.855 0.268 -3.471
123 HA CYS 15 HA CYS 15 1.973 0.396 -0.735
124 HB2 CYS 15 2HB CYS 15 1.384 -1.631 -2.889
125 HB3 CYS 15 1HB CYS 15 0.569 -1.502 -1.335
126 H LYS 16 HN LYS 16 4.603 -0.930 -2.359
127 HA LYS 16 HA LYS 16 4.587 -3.435 -0.970
128 HB2 LYS 16 2HB LYS 16 6.617 -2.242 -2.829
129 HB3 LYS 16 1HB LYS 16 6.807 -3.820 -2.069
130 HG2 LYS 16 2HG LYS 16 4.699 -4.546 -3.151
131 HG3 LYS 16 1HG LYS 16 4.612 -2.984 -3.960
132 HD2 LYS 16 2HD LYS 16 5.537 -4.675 -5.453
133 HD3 LYS 16 1HD LYS 16 6.753 -3.457 -5.078
134 HE2 LYS 16 2HE LYS 16 7.680 -5.737 -5.038
135 HE3 LYS 16 1HE LYS 16 7.805 -4.963 -3.466
136 HZ1 LYS 16 1HZ LYS 16 5.889 -6.253 -2.718
137 HZ2 LYS 16 2HZ LYS 16 7.045 -7.295 -3.338
138 HZ3 LYS 16 3HZ LYS 16 5.696 -6.912 -4.244
139 HA HYP 17 HA HYP 17 8.035 -1.399 1.721
140 HB2 HYP 17 1HB HYP 17 8.808 0.567 0.683
141 HB3 HYP 17 2HB HYP 17 7.895 1.296 2.022
142 HG HYP 17 HG HYP 17 5.942 1.478 0.694
143 HD22 HYP 17 1HD1 HYP 17 7.515 -0.153 -1.316
144 HD23 HYP 17 2HD1 HYP 17 5.758 0.153 -1.309
145 HD1 HYP 17 2HD HYP 17 6.536 2.229 -1.218
146 H LEU 18 HN LEU 18 4.776 -0.987 1.531
147 HA LEU 18 HA LEU 18 4.384 0.238 4.125
148 HB2 LEU 18 2HB LEU 18 2.368 -0.723 2.106
149 HB3 LEU 18 1HB LEU 18 2.006 0.160 3.571
150 HG LEU 18 HG LEU 18 3.508 1.234 1.173
151 HD11 LEU 18 1HD1 LEU 18 1.055 0.928 0.889
152 HD12 LEU 18 2HD1 LEU 18 1.566 2.612 0.842
153 HD13 LEU 18 3HD1 LEU 18 0.809 1.961 2.294
154 HD21 LEU 18 1HD2 LEU 18 3.390 3.378 2.346
155 HD22 LEU 18 2HD2 LEU 18 4.360 2.199 3.226
156 HD23 LEU 18 3HD2 LEU 18 2.716 2.566 3.760
157 H LYS 19 HN LYS 19 3.855 -0.839 5.860
158 HA LYS 19 HA LYS 19 4.071 -3.653 5.997
159 HB2 LYS 19 2HB LYS 19 3.381 -3.348 8.369
160 HB3 LYS 19 1HB LYS 19 4.706 -2.300 7.881
161 HG2 LYS 19 2HG LYS 19 3.091 -0.460 7.587
162 HG3 LYS 19 1HG LYS 19 1.818 -1.525 8.162
163 HD2 LYS 19 2HD LYS 19 2.927 -1.760 10.292
164 HD3 LYS 19 1HD LYS 19 4.282 -0.787 9.719
165 HE2 LYS 19 2HE LYS 19 2.790 1.123 9.426
166 HE3 LYS 19 1HE LYS 19 1.429 0.154 9.986
167 HZ1 LYS 19 1HZ LYS 19 2.555 -0.094 12.109
168 HZ2 LYS 19 2HZ LYS 19 2.274 1.527 11.742
169 HZ3 LYS 19 3HZ LYS 19 3.830 0.876 11.564
170 H CYS 20 HN CYS 20 1.555 -1.682 5.112
171 HA CYS 20 HA CYS 20 -0.700 -3.152 5.972
172 HB2 CYS 20 2HB CYS 20 -0.466 -1.377 3.544
173 HB3 CYS 20 1HB CYS 20 -1.926 -1.763 4.452
174 H CYS 21 HN CYS 21 1.675 -3.594 3.487
175 HA CYS 21 HA CYS 21 -0.023 -5.213 1.829
176 HB2 CYS 21 2HB CYS 21 1.674 -3.714 0.815
177 HB3 CYS 21 1HB CYS 21 2.941 -4.608 1.637
178 H ALA 22 HN ALA 22 -0.586 -6.760 3.353
179 HA ALA 22 HA ALA 22 1.060 -9.069 3.454
180 HB1 ALA 22 2HB ALA 22 0.552 -7.614 6.062
181 HB2 ALA 22 3HB ALA 22 2.126 -7.835 5.293
182 HB3 ALA 22 1HB ALA 22 1.236 -9.231 5.901
183 HN1 NH2 23 2H ALA 22 -2.226 -10.235 3.404
184 HN2 NH2 23 1H ALA 22 -0.703 -10.067 2.597