Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
582082 | 2ru2 RC | 11543 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 1HT CYS 1 2.331 0.014 -0.952
2 H2 CYS 1 2HT CYS 1 3.944 0.123 -0.488
3 H3 CYS 1 3HT CYS 1 2.846 1.334 -0.015
4 HA CYS 1 HA CYS 1 3.331 -0.137 1.819
5 HB2 CYS 1 2HB CYS 1 0.590 -0.826 0.750
6 HB3 CYS 1 1HB CYS 1 1.069 -0.549 2.420
7 H TYR 2 H TYR 2 3.156 -2.393 2.603
8 HA TYR 2 HA TYR 2 3.803 -4.217 0.451
9 HB2 TYR 2 2HB TYR 2 3.980 -4.500 3.460
10 HB3 TYR 2 1HB TYR 2 4.353 -5.805 2.340
11 HD1 TYR 2 2HD TYR 2 6.297 -5.657 0.863
12 HD2 TYR 2 1HD TYR 2 5.520 -2.654 3.771
13 HE1 TYR 2 2HE TYR 2 8.575 -4.835 0.599
14 HE2 TYR 2 1HE TYR 2 7.803 -1.811 3.511
15 HH TYR 2 HH TYR 2 10.029 -2.701 2.747
16 H ILE 3 H ILE 3 1.389 -3.665 2.887
17 HA ILE 3 HA ILE 3 -0.182 -5.887 1.901
18 HB ILE 3 HB ILE 3 -1.016 -3.642 3.757
19 HG12 ILE 3 2HG1 ILE 3 0.056 -6.376 4.519
20 HG13 ILE 3 1HG1 ILE 3 0.945 -4.868 4.677
21 HG21 ILE 3 1HG2 ILE 3 -2.737 -5.266 4.514
22 HG22 ILE 3 2HG2 ILE 3 -2.173 -6.398 3.282
23 HG23 ILE 3 3HG2 ILE 3 -2.890 -4.856 2.806
24 HD11 ILE 3 3HD1 ILE 3 -0.692 -4.079 6.310
25 HD12 ILE 3 1HD1 ILE 3 0.040 -5.604 6.809
26 HD13 ILE 3 2HD1 ILE 3 -1.592 -5.586 6.137
27 H GLN 4 H GLN 4 -1.647 -5.597 0.296
28 HA GLN 4 HA GLN 4 -1.568 -3.037 -0.993
29 HB2 GLN 4 2HB GLN 4 -2.717 -5.636 -1.939
30 HB3 GLN 4 1HB GLN 4 -2.942 -4.131 -2.822
31 HG2 GLN 4 2HG GLN 4 -0.330 -5.428 -2.148
32 HG3 GLN 4 1HG GLN 4 -1.083 -5.368 -3.745
33 HE21 GLN 4 1HE2 GLN 4 -1.133 -3.351 -4.830
34 HE22 GLN 4 2HE2 GLN 4 -0.061 -2.076 -4.406
35 H GLY 5 H GLY 5 -3.451 -4.212 1.266
36 HA2 GLY 5 2HA GLY 5 -5.823 -2.662 0.611
37 HA3 GLY 5 1HA GLY 5 -5.473 -3.409 2.177
38 H CYS 6 H CYS 6 -3.919 -1.093 0.096
39 HA CYS 6 HA CYS 6 -3.905 1.147 1.811
40 HB2 CYS 6 2HB CYS 6 -2.269 -0.271 3.033
41 HB3 CYS 6 1HB CYS 6 -1.367 -0.507 1.545
42 H THR 7 H THR 7 -3.911 2.706 0.214
43 HA THR 7 HA THR 7 -2.765 1.967 -2.369
44 HB THR 7 HB THR 7 -4.541 4.339 -1.909
45 HG1 THR 7 1HG THR 7 -5.903 2.871 -1.120
46 HG21 THR 7 3HG2 THR 7 -5.246 3.798 -4.198
47 HG22 THR 7 1HG2 THR 7 -4.195 2.384 -4.190
48 HG23 THR 7 2HG2 THR 7 -3.494 3.998 -4.102
49 H LEU 8 H LEU 8 -1.293 3.313 -3.355
50 HA LEU 8 HA LEU 8 0.307 5.079 -1.852
51 HB2 LEU 8 2HB LEU 8 1.009 3.926 -3.978
52 HB3 LEU 8 1HB LEU 8 -0.066 4.993 -4.852
53 HG LEU 8 HG LEU 8 1.286 6.930 -4.041
54 HD11 LEU 8 1HD1 LEU 8 3.518 6.522 -3.176
55 HD12 LEU 8 2HD1 LEU 8 3.190 4.792 -3.126
56 HD13 LEU 8 3HD1 LEU 8 2.283 5.890 -2.087
57 HD21 LEU 8 3HD2 LEU 8 3.155 6.548 -5.571
58 HD22 LEU 8 1HD2 LEU 8 1.615 6.059 -6.269
59 HD23 LEU 8 2HD2 LEU 8 2.728 4.837 -5.653
60 H SER 9 H SER 9 -0.290 7.025 -1.160
61 HA SER 9 HA SER 9 -2.392 8.437 -2.620
62 HB2 SER 9 2HB SER 9 -1.574 8.703 0.270
63 HB3 SER 9 1HB SER 9 -2.997 9.410 -0.501
64 HG SER 9 HG SER 9 -2.608 6.643 -0.639
65 HN1 NH2 10 1H SER 9 -0.916 9.417 -4.019
66 HN2 NH2 10 2H SER 9 0.204 10.637 -3.522
Start of MODEL 2
1 H1 CYS 1 1HT CYS 1 2.859 0.127 -0.990
2 H2 CYS 1 2HT CYS 1 4.337 0.237 -0.190
3 H3 CYS 1 3HT CYS 1 3.169 1.437 0.042
4 HA CYS 1 HA CYS 1 3.283 -0.085 1.910
5 HB2 CYS 1 2HB CYS 1 0.785 -0.565 0.253
6 HB3 CYS 1 1HB CYS 1 0.909 -0.600 2.005
7 H TYR 2 H TYR 2 3.063 -2.345 2.604
8 HA TYR 2 HA TYR 2 3.881 -4.220 0.538
9 HB2 TYR 2 2HB TYR 2 3.450 -4.643 3.506
10 HB3 TYR 2 1HB TYR 2 4.135 -5.820 2.397
11 HD1 TYR 2 1HD TYR 2 6.257 -4.830 1.042
12 HD2 TYR 2 2HD TYR 2 4.896 -3.518 4.851
13 HE1 TYR 2 1HE TYR 2 8.493 -4.003 1.547
14 HE2 TYR 2 2HE TYR 2 7.126 -2.679 5.369
15 HH TYR 2 HH TYR 2 9.430 -3.156 4.669
16 H ILE 3 H ILE 3 1.399 -3.779 2.974
17 HA ILE 3 HA ILE 3 -0.270 -5.875 1.979
18 HB ILE 3 HB ILE 3 -1.014 -3.517 3.733
19 HG12 ILE 3 2HG1 ILE 3 -0.042 -6.266 4.555
20 HG13 ILE 3 1HG1 ILE 3 0.865 -4.768 4.696
21 HG21 ILE 3 1HG2 ILE 3 -2.822 -4.993 4.559
22 HG22 ILE 3 2HG2 ILE 3 -2.339 -6.209 3.377
23 HG23 ILE 3 3HG2 ILE 3 -2.962 -4.648 2.838
24 HD11 ILE 3 3HD1 ILE 3 -0.735 -3.939 6.330
25 HD12 ILE 3 1HD1 ILE 3 -0.050 -5.479 6.836
26 HD13 ILE 3 2HD1 ILE 3 -1.681 -5.418 6.167
27 H GLN 4 H GLN 4 -1.762 -5.694 0.438
28 HA GLN 4 HA GLN 4 -1.648 -3.405 -1.273
29 HB2 GLN 4 2HB GLN 4 -3.287 -5.919 -1.477
30 HB3 GLN 4 1HB GLN 4 -3.269 -4.664 -2.708
31 HG2 GLN 4 2HG GLN 4 -0.912 -5.006 -3.083
32 HG3 GLN 4 1HG GLN 4 -0.850 -6.195 -1.788
33 HE21 GLN 4 1HE2 GLN 4 -3.403 -7.401 -2.540
34 HE22 GLN 4 2HE2 GLN 4 -3.113 -8.285 -3.981
35 H GLY 5 H GLY 5 -3.531 -4.316 1.190
36 HA2 GLY 5 2HA GLY 5 -5.808 -2.597 0.634
37 HA3 GLY 5 1HA GLY 5 -5.502 -3.425 2.162
38 H CYS 6 H CYS 6 -3.895 -1.037 0.192
39 HA CYS 6 HA CYS 6 -3.821 0.920 2.328
40 HB2 CYS 6 2HB CYS 6 -1.774 -0.487 2.618
41 HB3 CYS 6 1HB CYS 6 -1.347 -0.176 0.944
42 H THR 7 H THR 7 -4.538 2.677 1.264
43 HA THR 7 HA THR 7 -4.559 2.679 -1.611
44 HB THR 7 HB THR 7 -5.587 4.790 0.254
45 HG1 THR 7 1HG THR 7 -6.927 2.449 -0.713
46 HG21 THR 7 3HG2 THR 7 -6.471 3.890 -2.501
47 HG22 THR 7 1HG2 THR 7 -5.580 5.369 -2.135
48 HG23 THR 7 2HG2 THR 7 -7.231 5.166 -1.551
49 H LEU 8 H LEU 8 -3.626 4.219 -2.868
50 HA LEU 8 HA LEU 8 -1.738 6.112 -1.668
51 HB2 LEU 8 2HB LEU 8 -0.497 4.238 -2.657
52 HB3 LEU 8 1HB LEU 8 -1.399 4.401 -4.145
53 HG LEU 8 HG LEU 8 -0.345 6.608 -4.523
54 HD11 LEU 8 1HD1 LEU 8 1.304 5.917 -2.104
55 HD12 LEU 8 2HD1 LEU 8 0.115 7.215 -2.218
56 HD13 LEU 8 3HD1 LEU 8 1.581 7.270 -3.200
57 HD21 LEU 8 3HD2 LEU 8 1.873 5.744 -5.099
58 HD22 LEU 8 1HD2 LEU 8 0.601 4.607 -5.537
59 HD23 LEU 8 2HD2 LEU 8 1.580 4.322 -4.098
60 H SER 9 H SER 9 -2.082 8.162 -2.417
61 HA SER 9 HA SER 9 -3.301 8.528 -5.012
62 HB2 SER 9 2HB SER 9 -4.459 9.769 -2.491
63 HB3 SER 9 1HB SER 9 -5.000 10.093 -4.137
64 HG SER 9 HG SER 9 -4.950 7.475 -3.748
65 HN1 NH2 10 1H SER 9 -1.130 9.152 -5.395
66 HN2 NH2 10 2H SER 9 -0.555 10.717 -4.944
Start of MODEL 3
1 H1 CYS 1 1HT CYS 1 4.512 0.189 0.406
2 H2 CYS 1 2HT CYS 1 3.408 1.457 0.519
3 H3 CYS 1 3HT CYS 1 3.315 0.353 -0.774
4 HA CYS 1 HA CYS 1 2.904 -0.278 2.072
5 HB2 CYS 1 2HB CYS 1 0.931 -0.309 -0.228
6 HB3 CYS 1 1HB CYS 1 0.596 -0.668 1.454
7 H TYR 2 H TYR 2 3.355 -2.361 2.489
8 HA TYR 2 HA TYR 2 3.753 -4.183 0.265
9 HB2 TYR 2 2HB TYR 2 5.455 -4.158 2.054
10 HB3 TYR 2 1HB TYR 2 4.227 -4.553 3.247
11 HD1 TYR 2 1HD TYR 2 5.394 -5.961 -0.034
12 HD2 TYR 2 2HD TYR 2 4.320 -6.726 4.008
13 HE1 TYR 2 1HE TYR 2 5.861 -8.342 -0.368
14 HE2 TYR 2 2HE TYR 2 4.777 -9.104 3.691
15 HH TYR 2 HH TYR 2 6.421 -10.324 0.974
16 H ILE 3 H ILE 3 1.404 -3.295 2.491
17 HA ILE 3 HA ILE 3 -0.167 -5.714 2.111
18 HB ILE 3 HB ILE 3 -0.836 -3.137 3.573
19 HG12 ILE 3 2HG1 ILE 3 0.095 -5.797 4.685
20 HG13 ILE 3 1HG1 ILE 3 1.032 -4.314 4.634
21 HG21 ILE 3 1HG2 ILE 3 -2.278 -5.793 3.583
22 HG22 ILE 3 2HG2 ILE 3 -2.850 -4.287 2.869
23 HG23 ILE 3 3HG2 ILE 3 -2.668 -4.419 4.617
24 HD11 ILE 3 3HD1 ILE 3 0.155 -4.735 6.855
25 HD12 ILE 3 1HD1 ILE 3 -1.488 -4.758 6.215
26 HD13 ILE 3 2HD1 ILE 3 -0.547 -3.268 6.167
27 H GLN 4 H GLN 4 -1.873 -5.731 0.710
28 HA GLN 4 HA GLN 4 -1.782 -3.729 -1.316
29 HB2 GLN 4 2HB GLN 4 -3.437 -5.035 -2.553
30 HB3 GLN 4 1HB GLN 4 -2.123 -6.046 -1.989
31 HG2 GLN 4 2HG GLN 4 -3.553 -6.810 -0.136
32 HG3 GLN 4 1HG GLN 4 -4.871 -5.847 -0.802
33 HE21 GLN 4 1HE2 GLN 4 -2.928 -8.669 -1.191
34 HE22 GLN 4 2HE2 GLN 4 -3.851 -9.377 -2.452
35 H GLY 5 H GLY 5 -3.735 -4.323 1.252
36 HA2 GLY 5 2HA GLY 5 -5.787 -2.407 0.471
37 HA3 GLY 5 1HA GLY 5 -5.721 -3.239 2.023
38 H CYS 6 H CYS 6 -4.010 -0.877 0.116
39 HA CYS 6 HA CYS 6 -3.770 0.879 2.412
40 HB2 CYS 6 2HB CYS 6 -1.786 -0.579 2.560
41 HB3 CYS 6 1HB CYS 6 -1.379 -0.184 0.898
42 H THR 7 H THR 7 -4.714 2.638 1.479
43 HA THR 7 HA THR 7 -4.271 3.273 -1.254
44 HB THR 7 HB THR 7 -5.569 5.397 -0.424
45 HG1 THR 7 1HG THR 7 -6.150 5.382 1.595
46 HG21 THR 7 3HG2 THR 7 -6.835 2.647 -0.329
47 HG22 THR 7 1HG2 THR 7 -6.596 3.620 -1.778
48 HG23 THR 7 2HG2 THR 7 -7.710 4.163 -0.524
49 H LEU 8 H LEU 8 -2.429 4.186 -1.887
50 HA LEU 8 HA LEU 8 -0.523 5.194 -0.063
51 HB2 LEU 8 2HB LEU 8 0.064 4.110 -2.194
52 HB3 LEU 8 1HB LEU 8 -0.642 5.456 -3.063
53 HG LEU 8 HG LEU 8 1.081 6.947 -2.103
54 HD11 LEU 8 1HD1 LEU 8 1.574 5.732 -0.065
55 HD12 LEU 8 2HD1 LEU 8 3.043 5.948 -1.017
56 HD13 LEU 8 3HD1 LEU 8 2.223 4.388 -1.001
57 HD21 LEU 8 3HD2 LEU 8 1.378 5.941 -4.303
58 HD22 LEU 8 1HD2 LEU 8 2.133 4.531 -3.565
59 HD23 LEU 8 2HD2 LEU 8 2.923 6.104 -3.468
60 H SER 9 H SER 9 -0.677 7.041 0.924
61 HA SER 9 HA SER 9 -2.103 9.247 -0.379
62 HB2 SER 9 2HB SER 9 -1.499 8.899 2.556
63 HB3 SER 9 1HB SER 9 -2.659 10.007 1.818
64 HG SER 9 HG SER 9 -2.984 7.352 1.175
65 HN1 NH2 10 1H SER 9 -0.348 10.082 -1.513
66 HN2 NH2 10 2H SER 9 1.040 10.774 -0.760
Start of MODEL 4
1 H1 CYS 1 1HT CYS 1 3.174 1.534 0.143
2 H2 CYS 1 2HT CYS 1 2.772 0.268 -0.908
3 H3 CYS 1 3HT CYS 1 4.319 0.349 -0.237
4 HA CYS 1 HA CYS 1 3.421 0.003 1.953
5 HB2 CYS 1 2HB CYS 1 0.840 -0.497 0.450
6 HB3 CYS 1 1HB CYS 1 1.088 -0.651 2.174
7 H TYR 2 H TYR 2 3.081 -2.244 2.674
8 HA TYR 2 HA TYR 2 4.008 -4.135 0.675
9 HB2 TYR 2 2HB TYR 2 3.614 -4.384 3.651
10 HB3 TYR 2 1HB TYR 2 4.184 -5.699 2.630
11 HD1 TYR 2 1HD TYR 2 6.394 -5.541 1.562
12 HD2 TYR 2 2HD TYR 2 5.053 -2.605 4.325
13 HE1 TYR 2 1HE TYR 2 8.682 -4.759 1.824
14 HE2 TYR 2 2HE TYR 2 7.342 -1.806 4.597
15 HH TYR 2 HH TYR 2 9.810 -2.673 2.484
16 H ILE 3 H ILE 3 1.260 -3.626 2.809
17 HA ILE 3 HA ILE 3 -0.068 -5.945 1.755
18 HB ILE 3 HB ILE 3 -1.993 -5.292 3.102
19 HG12 ILE 3 2HG1 ILE 3 -0.305 -2.949 4.001
20 HG13 ILE 3 1HG1 ILE 3 -1.711 -2.833 2.941
21 HG21 ILE 3 1HG2 ILE 3 0.626 -5.261 4.587
22 HG22 ILE 3 2HG2 ILE 3 -0.294 -6.685 4.098
23 HG23 ILE 3 3HG2 ILE 3 -0.948 -5.587 5.314
24 HD11 ILE 3 3HD1 ILE 3 -1.695 -3.851 5.744
25 HD12 ILE 3 1HD1 ILE 3 -3.101 -3.702 4.697
26 HD13 ILE 3 2HD1 ILE 3 -2.248 -2.238 5.238
27 H GLN 4 H GLN 4 -2.095 -5.828 0.619
28 HA GLN 4 HA GLN 4 -1.900 -3.799 -1.386
29 HB2 GLN 4 2HB GLN 4 -3.609 -5.005 -2.612
30 HB3 GLN 4 1HB GLN 4 -2.353 -6.098 -2.067
31 HG2 GLN 4 2HG GLN 4 -3.845 -6.750 -0.184
32 HG3 GLN 4 1HG GLN 4 -5.111 -5.767 -0.923
33 HE21 GLN 4 1HE2 GLN 4 -3.202 -8.614 -1.175
34 HE22 GLN 4 2HE2 GLN 4 -4.088 -9.355 -2.444
35 H GLY 5 H GLY 5 -3.639 -4.229 1.345
36 HA2 GLY 5 2HA GLY 5 -5.779 -2.379 0.659
37 HA3 GLY 5 1HA GLY 5 -5.533 -3.134 2.231
38 H CYS 6 H CYS 6 -3.392 -1.234 0.228
39 HA CYS 6 HA CYS 6 -3.481 1.070 1.898
40 HB2 CYS 6 2HB CYS 6 -2.036 -0.407 3.258
41 HB3 CYS 6 1HB CYS 6 -0.981 -0.639 1.873
42 H THR 7 H THR 7 -3.388 2.590 0.400
43 HA THR 7 HA THR 7 -1.485 2.305 -1.807
44 HB THR 7 HB THR 7 -4.116 3.705 -2.058
45 HG1 THR 7 1HG THR 7 -3.559 0.968 -2.679
46 HG21 THR 7 3HG2 THR 7 -2.429 4.120 -3.776
47 HG22 THR 7 1HG2 THR 7 -3.793 3.237 -4.465
48 HG23 THR 7 2HG2 THR 7 -2.296 2.388 -4.084
49 H LEU 8 H LEU 8 -0.408 4.229 -2.158
50 HA LEU 8 HA LEU 8 -1.017 6.322 -0.244
51 HB2 LEU 8 2HB LEU 8 1.239 7.284 -0.824
52 HB3 LEU 8 1HB LEU 8 1.251 5.751 0.001
53 HG LEU 8 HG LEU 8 1.752 4.654 -2.196
54 HD11 LEU 8 1HD1 LEU 8 2.556 6.004 -4.046
55 HD12 LEU 8 2HD1 LEU 8 2.158 7.475 -3.141
56 HD13 LEU 8 3HD1 LEU 8 0.872 6.384 -3.653
57 HD21 LEU 8 3HD2 LEU 8 3.666 6.753 -1.242
58 HD22 LEU 8 1HD2 LEU 8 4.084 5.351 -2.230
59 HD23 LEU 8 2HD2 LEU 8 3.471 5.125 -0.590
60 H SER 9 H SER 9 -1.180 8.493 -0.808
61 HA SER 9 HA SER 9 -1.416 9.141 -3.606
62 HB2 SER 9 2HB SER 9 -3.795 9.402 -1.730
63 HB3 SER 9 1HB SER 9 -3.731 9.987 -3.391
64 HG SER 9 HG SER 9 -2.988 7.452 -3.363
65 HN1 NH2 10 1H SER 9 0.254 10.575 -3.228
66 HN2 NH2 10 2H SER 9 0.085 11.984 -2.243
Start of MODEL 5
1 H1 CYS 1 1HT CYS 1 4.168 0.398 -0.140
2 H2 CYS 1 2HT CYS 1 2.981 1.502 0.334
3 H3 CYS 1 3HT CYS 1 2.625 0.277 -0.787
4 HA CYS 1 HA CYS 1 3.363 -0.172 2.013
5 HB2 CYS 1 2HB CYS 1 0.701 -0.472 0.584
6 HB3 CYS 1 1HB CYS 1 1.021 -0.926 2.242
7 H TYR 2 H TYR 2 3.198 -2.445 2.571
8 HA TYR 2 HA TYR 2 3.852 -4.182 0.333
9 HB2 TYR 2 2HB TYR 2 3.789 -4.800 3.298
10 HB3 TYR 2 1HB TYR 2 4.483 -5.808 2.032
11 HD1 TYR 2 1HD TYR 2 6.392 -4.683 0.619
12 HD2 TYR 2 2HD TYR 2 5.177 -3.381 4.486
13 HE1 TYR 2 1HE TYR 2 8.548 -3.565 0.918
14 HE2 TYR 2 2HE TYR 2 7.326 -2.260 4.793
15 HH TYR 2 HH TYR 2 9.441 -1.658 2.279
16 H ILE 3 H ILE 3 1.490 -3.667 2.828
17 HA ILE 3 HA ILE 3 -0.193 -5.856 2.040
18 HB ILE 3 HB ILE 3 -0.859 -3.406 3.714
19 HG12 ILE 3 2HG1 ILE 3 0.068 -6.132 4.658
20 HG13 ILE 3 1HG1 ILE 3 1.068 -4.690 4.635
21 HG21 ILE 3 1HG2 ILE 3 -2.851 -4.564 2.943
22 HG22 ILE 3 2HG2 ILE 3 -2.644 -4.827 4.675
23 HG23 ILE 3 3HG2 ILE 3 -2.216 -6.099 3.534
24 HD11 ILE 3 3HD1 ILE 3 -1.422 -5.100 6.281
25 HD12 ILE 3 1HD1 ILE 3 -0.429 -3.641 6.267
26 HD13 ILE 3 2HD1 ILE 3 0.240 -5.158 6.867
27 H GLN 4 H GLN 4 -1.872 -5.724 0.621
28 HA GLN 4 HA GLN 4 -1.745 -3.534 -1.242
29 HB2 GLN 4 2HB GLN 4 -3.263 -6.121 -1.316
30 HB3 GLN 4 1HB GLN 4 -3.383 -4.898 -2.573
31 HG2 GLN 4 2HG GLN 4 -1.047 -5.101 -3.074
32 HG3 GLN 4 1HG GLN 4 -0.821 -6.217 -1.728
33 HE21 GLN 4 1HE2 GLN 4 -0.042 -7.756 -3.107
34 HE22 GLN 4 2HE2 GLN 4 -1.051 -8.705 -4.131
35 H GLY 5 H GLY 5 -3.469 -4.118 1.385
36 HA2 GLY 5 2HA GLY 5 -5.863 -2.650 0.643
37 HA3 GLY 5 1HA GLY 5 -5.436 -3.178 2.277
38 H CYS 6 H CYS 6 -3.962 -1.190 -0.166
39 HA CYS 6 HA CYS 6 -3.693 1.017 1.700
40 HB2 CYS 6 2HB CYS 6 -1.588 -0.179 1.808
41 HB3 CYS 6 1HB CYS 6 -1.499 -0.260 0.056
42 H THR 7 H THR 7 -4.717 2.607 0.688
43 HA THR 7 HA THR 7 -4.410 2.803 -2.201
44 HB THR 7 HB THR 7 -6.718 2.192 -1.659
45 HG1 THR 7 1HG THR 7 -7.751 4.235 -2.436
46 HG21 THR 7 3HG2 THR 7 -6.870 3.035 0.626
47 HG22 THR 7 1HG2 THR 7 -8.181 3.700 -0.348
48 HG23 THR 7 2HG2 THR 7 -6.777 4.696 0.042
49 H LEU 8 H LEU 8 -4.624 4.998 -2.951
50 HA LEU 8 HA LEU 8 -3.316 6.841 -1.103
51 HB2 LEU 8 2HB LEU 8 -3.400 6.908 -4.134
52 HB3 LEU 8 1HB LEU 8 -2.570 8.067 -3.116
53 HG LEU 8 HG LEU 8 -1.886 5.139 -3.273
54 HD11 LEU 8 1HD1 LEU 8 -0.497 7.520 -4.496
55 HD12 LEU 8 2HD1 LEU 8 -1.364 6.256 -5.373
56 HD13 LEU 8 3HD1 LEU 8 0.114 5.867 -4.496
57 HD21 LEU 8 3HD2 LEU 8 -0.484 7.443 -1.920
58 HD22 LEU 8 1HD2 LEU 8 0.163 5.809 -2.079
59 HD23 LEU 8 2HD2 LEU 8 -1.295 6.086 -1.135
60 H SER 9 H SER 9 -4.925 7.683 -0.107
61 HA SER 9 HA SER 9 -6.776 9.370 -1.574
62 HB2 SER 9 2HB SER 9 -7.618 7.402 0.564
63 HB3 SER 9 1HB SER 9 -8.669 8.581 -0.213
64 HG SER 9 HG SER 9 -7.472 7.209 -2.120
65 HN1 NH2 10 1H SER 9 -5.898 11.224 -0.804
66 HN2 NH2 10 2H SER 9 -5.699 11.606 0.868
Start of MODEL 6
1 H1 CYS 1 1HT CYS 1 3.343 1.544 0.497
2 H2 CYS 1 2HT CYS 1 3.095 0.444 -0.778
3 H3 CYS 1 3HT CYS 1 4.504 0.369 0.146
4 HA CYS 1 HA CYS 1 3.328 -0.251 2.060
5 HB2 CYS 1 2HB CYS 1 0.911 -0.007 0.255
6 HB3 CYS 1 1HB CYS 1 0.884 -0.879 1.777
7 H TYR 2 H TYR 2 3.109 -2.405 2.550
8 HA TYR 2 HA TYR 2 3.873 -4.226 0.395
9 HB2 TYR 2 2HB TYR 2 3.626 -4.809 3.355
10 HB3 TYR 2 1HB TYR 2 4.466 -5.762 2.143
11 HD1 TYR 2 2HD TYR 2 6.559 -4.693 1.053
12 HD2 TYR 2 1HD TYR 2 4.746 -3.230 4.606
13 HE1 TYR 2 2HE TYR 2 8.638 -3.546 1.636
14 HE2 TYR 2 1HE TYR 2 6.810 -2.080 5.206
15 HH TYR 2 HH TYR 2 9.155 -2.236 4.754
16 H ILE 3 H ILE 3 1.388 -3.441 2.661
17 HA ILE 3 HA ILE 3 -0.232 -5.751 2.076
18 HB ILE 3 HB ILE 3 -0.943 -3.201 3.563
19 HG12 ILE 3 2HG1 ILE 3 0.086 -5.817 4.681
20 HG13 ILE 3 1HG1 ILE 3 1.021 -4.334 4.564
21 HG21 ILE 3 1HG2 ILE 3 -2.668 -4.599 4.650
22 HG22 ILE 3 2HG2 ILE 3 -2.217 -5.943 3.602
23 HG23 ILE 3 3HG2 ILE 3 -2.910 -4.475 2.910
24 HD11 ILE 3 3HD1 ILE 3 -1.451 -4.746 6.229
25 HD12 ILE 3 1HD1 ILE 3 -0.507 -3.261 6.132
26 HD13 ILE 3 2HD1 ILE 3 0.211 -4.719 6.821
27 H GLN 4 H GLN 4 -1.897 -5.756 0.629
28 HA GLN 4 HA GLN 4 -1.858 -3.750 -1.407
29 HB2 GLN 4 2HB GLN 4 -2.093 -6.181 -1.921
30 HB3 GLN 4 1HB GLN 4 -3.660 -6.172 -1.128
31 HG2 GLN 4 2HG GLN 4 -4.488 -4.600 -2.766
32 HG3 GLN 4 1HG GLN 4 -2.917 -4.598 -3.565
33 HE21 GLN 4 1HE2 GLN 4 -5.531 -5.329 -4.617
34 HE22 GLN 4 2HE2 GLN 4 -5.383 -6.952 -5.189
35 H GLY 5 H GLY 5 -3.450 -4.187 1.358
36 HA2 GLY 5 2HA GLY 5 -5.887 -2.698 0.747
37 HA3 GLY 5 1HA GLY 5 -5.399 -3.252 2.348
38 H CYS 6 H CYS 6 -3.684 -1.323 0.021
39 HA CYS 6 HA CYS 6 -3.868 1.073 1.593
40 HB2 CYS 6 2HB CYS 6 -1.934 0.084 2.637
41 HB3 CYS 6 1HB CYS 6 -1.261 -0.370 1.075
42 H THR 7 H THR 7 -4.485 2.406 0.064
43 HA THR 7 HA THR 7 -2.995 2.404 -2.436
44 HB THR 7 HB THR 7 -5.190 3.344 -3.406
45 HG1 THR 7 1HG THR 7 -6.603 1.881 -1.562
46 HG21 THR 7 3HG2 THR 7 -6.105 1.086 -3.818
47 HG22 THR 7 1HG2 THR 7 -5.126 0.452 -2.497
48 HG23 THR 7 2HG2 THR 7 -4.348 1.082 -3.946
49 H LEU 8 H LEU 8 -2.416 4.428 -3.147
50 HA LEU 8 HA LEU 8 -2.458 6.478 -1.125
51 HB2 LEU 8 2HB LEU 8 -1.121 6.316 -3.821
52 HB3 LEU 8 1HB LEU 8 -1.154 7.806 -2.912
53 HG LEU 8 HG LEU 8 0.086 6.651 -1.070
54 HD11 LEU 8 1HD1 LEU 8 -0.523 4.346 -1.547
55 HD12 LEU 8 2HD1 LEU 8 1.228 4.559 -1.508
56 HD13 LEU 8 3HD1 LEU 8 0.391 4.416 -3.054
57 HD21 LEU 8 3HD2 LEU 8 1.251 8.040 -2.673
58 HD22 LEU 8 1HD2 LEU 8 1.415 6.670 -3.771
59 HD23 LEU 8 2HD2 LEU 8 2.246 6.658 -2.216
60 H SER 9 H SER 9 -3.612 8.287 -1.122
61 HA SER 9 HA SER 9 -5.152 9.054 -3.452
62 HB2 SER 9 2HB SER 9 -6.482 8.362 -0.814
63 HB3 SER 9 1HB SER 9 -7.288 9.003 -2.248
64 HG SER 9 HG SER 9 -5.840 6.900 -2.937
65 HN1 NH2 10 1H SER 9 -3.783 10.860 -3.317
66 HN2 NH2 10 2H SER 9 -3.995 12.086 -2.119
Start of MODEL 7
1 H1 CYS 1 1HT CYS 1 4.514 0.328 0.533
2 H2 CYS 1 2HT CYS 1 3.407 1.587 0.716
3 H3 CYS 1 3HT CYS 1 3.299 0.521 -0.610
4 HA CYS 1 HA CYS 1 2.936 -0.219 2.206
5 HB2 CYS 1 2HB CYS 1 0.935 -0.042 -0.063
6 HB3 CYS 1 1HB CYS 1 0.601 -0.574 1.575
7 H TYR 2 H TYR 2 3.179 -2.330 2.544
8 HA TYR 2 HA TYR 2 3.881 -4.050 0.305
9 HB2 TYR 2 2HB TYR 2 5.306 -4.063 2.291
10 HB3 TYR 2 1HB TYR 2 3.922 -4.421 3.309
11 HD1 TYR 2 1HD TYR 2 6.055 -5.839 0.605
12 HD2 TYR 2 2HD TYR 2 3.349 -6.625 3.792
13 HE1 TYR 2 1HE TYR 2 6.549 -8.237 0.432
14 HE2 TYR 2 2HE TYR 2 3.829 -9.008 3.628
15 HH TYR 2 HH TYR 2 4.633 -10.581 2.040
16 H ILE 3 H ILE 3 1.377 -3.534 2.628
17 HA ILE 3 HA ILE 3 -0.078 -5.938 1.997
18 HB ILE 3 HB ILE 3 -0.994 -3.479 3.546
19 HG12 ILE 3 2HG1 ILE 3 0.236 -6.023 4.637
20 HG13 ILE 3 1HG1 ILE 3 1.093 -4.496 4.483
21 HG21 ILE 3 1HG2 ILE 3 -2.830 -4.954 2.850
22 HG22 ILE 3 2HG2 ILE 3 -2.586 -5.043 4.595
23 HG23 ILE 3 3HG2 ILE 3 -1.993 -6.335 3.558
24 HD11 ILE 3 3HD1 ILE 3 0.348 -4.870 6.761
25 HD12 ILE 3 1HD1 ILE 3 -1.321 -5.017 6.207
26 HD13 ILE 3 2HD1 ILE 3 -0.474 -3.474 6.061
27 H GLN 4 H GLN 4 -1.990 -5.954 0.722
28 HA GLN 4 HA GLN 4 -1.999 -4.016 -1.390
29 HB2 GLN 4 2HB GLN 4 -3.811 -6.374 -0.910
30 HB3 GLN 4 1HB GLN 4 -3.821 -5.390 -2.360
31 HG2 GLN 4 2HG GLN 4 -1.589 -6.075 -2.911
32 HG3 GLN 4 1HG GLN 4 -1.437 -6.953 -1.392
33 HE21 GLN 4 1HE2 GLN 4 -1.195 -7.915 -4.120
34 HE22 GLN 4 2HE2 GLN 4 -2.351 -9.182 -4.285
35 H GLY 5 H GLY 5 -3.267 -3.878 1.522
36 HA2 GLY 5 2HA GLY 5 -5.787 -2.568 0.855
37 HA3 GLY 5 1HA GLY 5 -5.145 -2.801 2.485
38 H CYS 6 H CYS 6 -3.937 -1.355 -0.440
39 HA CYS 6 HA CYS 6 -3.945 1.336 0.249
40 HB2 CYS 6 2HB CYS 6 -2.259 0.734 1.936
41 HB3 CYS 6 1HB CYS 6 -1.358 -0.184 0.739
42 H THR 7 H THR 7 -3.609 2.337 -1.766
43 HA THR 7 HA THR 7 -2.659 0.540 -3.855
44 HB THR 7 HB THR 7 -4.018 3.191 -4.226
45 HG1 THR 7 1HG THR 7 -4.959 0.790 -3.355
46 HG21 THR 7 3HG2 THR 7 -2.864 2.276 -6.197
47 HG22 THR 7 1HG2 THR 7 -4.614 2.261 -6.426
48 HG23 THR 7 2HG2 THR 7 -3.771 0.771 -6.024
49 H LEU 8 H LEU 8 -1.032 1.102 -5.153
50 HA LEU 8 HA LEU 8 0.916 2.995 -4.129
51 HB2 LEU 8 2HB LEU 8 1.618 0.741 -4.806
52 HB3 LEU 8 1HB LEU 8 1.016 1.027 -6.418
53 HG LEU 8 HG LEU 8 2.766 2.732 -6.771
54 HD11 LEU 8 1HD1 LEU 8 3.056 3.452 -4.461
55 HD12 LEU 8 2HD1 LEU 8 4.588 2.959 -5.178
56 HD13 LEU 8 3HD1 LEU 8 3.756 1.886 -4.054
57 HD21 LEU 8 3HD2 LEU 8 4.657 1.182 -6.869
58 HD22 LEU 8 1HD2 LEU 8 3.164 0.426 -7.431
59 HD23 LEU 8 2HD2 LEU 8 3.788 0.060 -5.823
60 H SER 9 H SER 9 1.253 4.993 -4.984
61 HA SER 9 HA SER 9 -0.310 5.787 -7.261
62 HB2 SER 9 2HB SER 9 1.685 7.373 -5.617
63 HB3 SER 9 1HB SER 9 0.530 8.034 -6.772
64 HG SER 9 HG SER 9 -0.931 6.641 -5.165
65 HN1 NH2 10 1H SER 9 3.010 6.881 -6.779
66 HN2 NH2 10 2H SER 9 3.616 6.231 -8.254
Start of MODEL 8
1 H1 CYS 1 1HT CYS 1 4.477 0.238 0.148
2 H2 CYS 1 2HT CYS 1 3.212 1.372 0.056
3 H3 CYS 1 3HT CYS 1 3.293 0.061 -1.027
4 HA CYS 1 HA CYS 1 2.913 -0.200 1.864
5 HB2 CYS 1 2HB CYS 1 0.960 -0.569 -0.425
6 HB3 CYS 1 1HB CYS 1 0.638 -0.898 1.268
7 H TYR 2 H TYR 2 3.071 -2.268 2.574
8 HA TYR 2 HA TYR 2 3.993 -4.285 0.690
9 HB2 TYR 2 2HB TYR 2 3.558 -4.421 3.697
10 HB3 TYR 2 1HB TYR 2 4.284 -5.685 2.718
11 HD1 TYR 2 1HD TYR 2 6.544 -5.399 1.807
12 HD2 TYR 2 2HD TYR 2 4.805 -2.473 4.356
13 HE1 TYR 2 1HE TYR 2 8.752 -4.426 2.189
14 HE2 TYR 2 2HE TYR 2 7.009 -1.484 4.735
15 HH TYR 2 HH TYR 2 9.705 -2.235 2.854
16 H ILE 3 H ILE 3 1.352 -3.470 2.772
17 HA ILE 3 HA ILE 3 -0.237 -5.756 1.943
18 HB ILE 3 HB ILE 3 -0.965 -3.366 3.674
19 HG12 ILE 3 2HG1 ILE 3 -0.116 -6.148 4.522
20 HG13 ILE 3 1HG1 ILE 3 0.884 -4.707 4.633
21 HG21 ILE 3 1HG2 ILE 3 -2.936 -4.447 2.744
22 HG22 ILE 3 2HG2 ILE 3 -2.830 -4.778 4.473
23 HG23 ILE 3 3HG2 ILE 3 -2.363 -6.017 3.308
24 HD11 ILE 3 3HD1 ILE 3 -1.695 -5.188 6.112
25 HD12 ILE 3 1HD1 ILE 3 -0.681 -3.752 6.243
26 HD13 ILE 3 2HD1 ILE 3 -0.069 -5.315 6.787
27 H GLN 4 H GLN 4 -1.878 -5.583 0.480
28 HA GLN 4 HA GLN 4 -1.701 -3.332 -1.302
29 HB2 GLN 4 2HB GLN 4 -3.440 -5.798 -1.493
30 HB3 GLN 4 1HB GLN 4 -3.319 -4.558 -2.728
31 HG2 GLN 4 2HG GLN 4 -1.040 -6.257 -1.755
32 HG3 GLN 4 1HG GLN 4 -1.939 -6.508 -3.250
33 HE21 GLN 4 1HE2 GLN 4 0.876 -5.960 -2.825
34 HE22 GLN 4 2HE2 GLN 4 1.239 -4.543 -3.717
35 H GLY 5 H GLY 5 -3.674 -4.410 1.063
36 HA2 GLY 5 2HA GLY 5 -5.850 -2.521 0.615
37 HA3 GLY 5 1HA GLY 5 -5.667 -3.551 2.038
38 H CYS 6 H CYS 6 -4.005 -0.948 0.437
39 HA CYS 6 HA CYS 6 -3.652 0.523 2.933
40 HB2 CYS 6 2HB CYS 6 -1.634 -0.801 2.714
41 HB3 CYS 6 1HB CYS 6 -1.510 -0.402 1.011
42 H THR 7 H THR 7 -3.531 2.794 2.480
43 HA THR 7 HA THR 7 -4.574 3.493 -0.078
44 HB THR 7 HB THR 7 -3.661 5.304 2.107
45 HG1 THR 7 1HG THR 7 -6.043 3.809 1.689
46 HG21 THR 7 3HG2 THR 7 -5.806 5.637 -0.006
47 HG22 THR 7 1HG2 THR 7 -4.207 6.380 -0.035
48 HG23 THR 7 2HG2 THR 7 -5.369 6.834 1.209
49 H LEU 8 H LEU 8 -3.553 4.417 -1.596
50 HA LEU 8 HA LEU 8 -0.630 4.302 -1.538
51 HB2 LEU 8 2HB LEU 8 -2.477 4.553 -3.901
52 HB3 LEU 8 1HB LEU 8 -0.746 4.291 -3.959
53 HG LEU 8 HG LEU 8 -2.790 2.376 -2.885
54 HD11 LEU 8 1HD1 LEU 8 -2.867 2.559 -5.312
55 HD12 LEU 8 2HD1 LEU 8 -2.184 1.003 -4.837
56 HD13 LEU 8 3HD1 LEU 8 -1.127 2.296 -5.403
57 HD21 LEU 8 3HD2 LEU 8 -0.920 0.770 -2.766
58 HD22 LEU 8 1HD2 LEU 8 -0.702 2.143 -1.679
59 HD23 LEU 8 2HD2 LEU 8 0.192 2.072 -3.194
60 H SER 9 H SER 9 0.532 6.027 -1.663
61 HA SER 9 HA SER 9 -0.802 8.557 -2.282
62 HB2 SER 9 2HB SER 9 0.144 8.348 0.037
63 HB3 SER 9 1HB SER 9 1.745 8.163 -0.683
64 HG SER 9 HG SER 9 1.817 10.241 -0.755
65 HN1 NH2 10 1H SER 9 -0.486 8.768 -4.393
66 HN2 NH2 10 2H SER 9 1.022 8.641 -5.216
Start of MODEL 9
1 H1 CYS 1 1HT CYS 1 4.206 0.524 -0.387
2 H2 CYS 1 2HT CYS 1 4.595 0.271 1.221
3 H3 CYS 1 3HT CYS 1 3.616 1.591 0.804
4 HA CYS 1 HA CYS 1 2.386 -0.152 1.792
5 HB2 CYS 1 2HB CYS 1 1.921 0.202 -1.158
6 HB3 CYS 1 1HB CYS 1 0.775 -0.590 -0.086
7 H TYR 2 H TYR 2 2.937 -2.057 2.492
8 HA TYR 2 HA TYR 2 4.003 -4.069 0.689
9 HB2 TYR 2 2HB TYR 2 3.577 -4.117 3.687
10 HB3 TYR 2 1HB TYR 2 4.220 -5.463 2.764
11 HD1 TYR 2 2HD TYR 2 6.476 -5.286 1.741
12 HD2 TYR 2 1HD TYR 2 4.943 -2.235 4.266
13 HE1 TYR 2 2HE TYR 2 8.742 -4.400 2.031
14 HE2 TYR 2 1HE TYR 2 7.197 -1.337 4.567
15 HH TYR 2 HH TYR 2 9.484 -2.102 4.428
16 H ILE 3 H ILE 3 1.050 -3.421 2.612
17 HA ILE 3 HA ILE 3 -0.051 -5.963 1.818
18 HB ILE 3 HB ILE 3 -0.305 -4.987 4.129
19 HG12 ILE 3 2HG1 ILE 3 -2.738 -5.411 4.322
20 HG13 ILE 3 1HG1 ILE 3 -2.765 -5.613 2.564
21 HG21 ILE 3 1HG2 ILE 3 -2.169 -3.048 2.782
22 HG22 ILE 3 2HG2 ILE 3 -0.665 -2.653 3.606
23 HG23 ILE 3 3HG2 ILE 3 -2.033 -3.279 4.522
24 HD11 ILE 3 3HD1 ILE 3 -1.177 -7.272 4.523
25 HD12 ILE 3 1HD1 ILE 3 -1.167 -7.479 2.775
26 HD13 ILE 3 2HD1 ILE 3 -2.640 -7.785 3.690
27 H GLN 4 H GLN 4 -2.076 -5.992 0.663
28 HA GLN 4 HA GLN 4 -2.076 -4.099 -1.475
29 HB2 GLN 4 2HB GLN 4 -4.020 -5.298 -2.401
30 HB3 GLN 4 1HB GLN 4 -2.703 -6.387 -1.995
31 HG2 GLN 4 2HG GLN 4 -3.850 -7.112 -0.017
32 HG3 GLN 4 1HG GLN 4 -5.108 -5.901 -0.260
33 HE21 GLN 4 1HE2 GLN 4 -3.810 -8.922 -1.371
34 HE22 GLN 4 2HE2 GLN 4 -5.174 -9.369 -2.321
35 H GLY 5 H GLY 5 -3.560 -4.199 1.419
36 HA2 GLY 5 2HA GLY 5 -5.727 -2.348 0.766
37 HA3 GLY 5 1HA GLY 5 -5.370 -2.983 2.371
38 H CYS 6 H CYS 6 -3.478 -1.274 0.005
39 HA CYS 6 HA CYS 6 -3.221 1.107 1.596
40 HB2 CYS 6 2HB CYS 6 -1.541 -0.430 2.636
41 HB3 CYS 6 1HB CYS 6 -0.810 -0.682 1.069
42 H THR 7 H THR 7 -3.893 2.253 -0.200
43 HA THR 7 HA THR 7 -2.321 1.774 -2.600
44 HB THR 7 HB THR 7 -4.110 3.076 -3.791
45 HG1 THR 7 1HG THR 7 -4.941 3.821 -1.613
46 HG21 THR 7 3HG2 THR 7 -3.999 0.656 -3.947
47 HG22 THR 7 1HG2 THR 7 -5.682 1.176 -3.861
48 HG23 THR 7 2HG2 THR 7 -4.895 0.496 -2.435
49 H LEU 8 H LEU 8 -0.634 2.968 -2.495
50 HA LEU 8 HA LEU 8 -0.760 5.639 -1.406
51 HB2 LEU 8 2HB LEU 8 1.147 3.911 -1.071
52 HB3 LEU 8 1HB LEU 8 1.602 4.282 -2.713
53 HG LEU 8 HG LEU 8 1.578 6.289 -0.448
54 HD11 LEU 8 1HD1 LEU 8 3.219 4.560 -0.052
55 HD12 LEU 8 2HD1 LEU 8 4.009 6.073 -0.494
56 HD13 LEU 8 3HD1 LEU 8 3.866 4.775 -1.677
57 HD21 LEU 8 3HD2 LEU 8 2.796 6.462 -3.211
58 HD22 LEU 8 1HD2 LEU 8 2.901 7.686 -1.945
59 HD23 LEU 8 2HD2 LEU 8 1.342 7.309 -2.682
60 H SER 9 H SER 9 -1.979 6.745 -2.819
61 HA SER 9 HA SER 9 -1.483 6.651 -5.646
62 HB2 SER 9 2HB SER 9 -3.266 8.506 -4.051
63 HB3 SER 9 1HB SER 9 -3.333 8.222 -5.793
64 HG SER 9 HG SER 9 -4.432 6.830 -3.782
65 HN1 NH2 10 1H SER 9 0.711 7.283 -5.535
66 HN2 NH2 10 2H SER 9 1.171 8.941 -5.347
Start of MODEL 10
1 H1 CYS 1 1HT CYS 1 3.907 0.785 -0.207
2 H2 CYS 1 2HT CYS 1 4.773 0.273 1.121
3 H3 CYS 1 3HT CYS 1 3.692 1.567 1.283
4 HA CYS 1 HA CYS 1 2.807 -0.398 2.260
5 HB2 CYS 1 2HB CYS 1 1.453 0.401 -0.320
6 HB3 CYS 1 1HB CYS 1 0.710 -0.586 0.930
7 H TYR 2 H TYR 2 3.416 -2.439 2.398
8 HA TYR 2 HA TYR 2 3.729 -4.096 0.026
9 HB2 TYR 2 2HB TYR 2 3.949 -4.758 2.976
10 HB3 TYR 2 1HB TYR 2 4.183 -5.917 1.681
11 HD1 TYR 2 1HD TYR 2 6.081 -5.436 0.015
12 HD2 TYR 2 2HD TYR 2 5.738 -3.527 3.798
13 HE1 TYR 2 1HE TYR 2 8.468 -4.918 -0.038
14 HE2 TYR 2 2HE TYR 2 8.128 -2.992 3.747
15 HH TYR 2 HH TYR 2 10.019 -3.290 0.972
16 H ILE 3 H ILE 3 1.557 -3.475 2.643
17 HA ILE 3 HA ILE 3 -0.207 -5.623 2.307
18 HB ILE 3 HB ILE 3 -1.906 -4.194 3.393
19 HG12 ILE 3 2HG1 ILE 3 0.294 -2.102 3.370
20 HG13 ILE 3 1HG1 ILE 3 -1.221 -2.029 2.481
21 HG21 ILE 3 1HG2 ILE 3 -0.732 -4.034 5.555
22 HG22 ILE 3 2HG2 ILE 3 0.794 -4.335 4.723
23 HG23 ILE 3 3HG2 ILE 3 -0.463 -5.569 4.732
24 HD11 ILE 3 3HD1 ILE 3 -2.444 -1.986 4.530
25 HD12 ILE 3 1HD1 ILE 3 -1.274 -0.653 4.480
26 HD13 ILE 3 2HD1 ILE 3 -0.938 -2.112 5.441
27 H GLN 4 H GLN 4 -2.129 -5.804 1.171
28 HA GLN 4 HA GLN 4 -2.063 -4.323 -1.293
29 HB2 GLN 4 2HB GLN 4 -3.860 -6.591 -0.453
30 HB3 GLN 4 1HB GLN 4 -3.822 -5.883 -2.061
31 HG2 GLN 4 2HG GLN 4 -1.537 -7.308 -0.706
32 HG3 GLN 4 1HG GLN 4 -2.559 -7.971 -1.979
33 HE21 GLN 4 1HE2 GLN 4 0.066 -5.807 -1.231
34 HE22 GLN 4 2HE2 GLN 4 0.504 -5.491 -2.866
35 H GLY 5 H GLY 5 -3.510 -4.068 1.577
36 HA2 GLY 5 2HA GLY 5 -5.900 -2.627 0.744
37 HA3 GLY 5 1HA GLY 5 -5.327 -2.790 2.401
38 H CYS 6 H CYS 6 -3.653 -1.643 -0.380
39 HA CYS 6 HA CYS 6 -3.781 1.110 0.003
40 HB2 CYS 6 2HB CYS 6 -2.389 0.679 2.005
41 HB3 CYS 6 1HB CYS 6 -1.262 -0.249 1.027
42 H THR 7 H THR 7 -4.205 0.744 -2.182
43 HA THR 7 HA THR 7 -2.244 -0.599 -3.758
44 HB THR 7 HB THR 7 -3.865 0.000 -5.637
45 HG1 THR 7 1HG THR 7 -5.372 1.369 -5.096
46 HG21 THR 7 3HG2 THR 7 -3.839 -2.200 -4.557
47 HG22 THR 7 1HG2 THR 7 -5.495 -1.708 -4.915
48 HG23 THR 7 2HG2 THR 7 -4.874 -1.588 -3.269
49 H LEU 8 H LEU 8 -0.604 0.287 -4.640
50 HA LEU 8 HA LEU 8 0.049 3.007 -4.449
51 HB2 LEU 8 2HB LEU 8 1.239 0.739 -6.035
52 HB3 LEU 8 1HB LEU 8 1.890 2.353 -6.103
53 HG LEU 8 HG LEU 8 2.436 2.221 -3.685
54 HD11 LEU 8 1HD1 LEU 8 1.520 -0.645 -3.892
55 HD12 LEU 8 2HD1 LEU 8 0.749 0.626 -2.943
56 HD13 LEU 8 3HD1 LEU 8 2.373 0.076 -2.527
57 HD21 LEU 8 3HD2 LEU 8 4.105 1.668 -5.323
58 HD22 LEU 8 1HD2 LEU 8 3.519 0.005 -5.401
59 HD23 LEU 8 2HD2 LEU 8 4.264 0.605 -3.923
60 H SER 9 H SER 9 -0.888 4.529 -5.526
61 HA SER 9 HA SER 9 -1.929 4.003 -8.189
62 HB2 SER 9 2HB SER 9 -2.410 6.383 -6.378
63 HB3 SER 9 1HB SER 9 -3.292 5.967 -7.850
64 HG SER 9 HG SER 9 -3.108 4.193 -5.675
65 HN1 NH2 10 1H SER 9 -0.655 6.997 -6.748
66 HN2 NH2 10 2H SER 9 0.480 7.306 -8.005
Start of MODEL 11
1 H1 CYS 1 1HT CYS 1 2.814 0.082 -1.030
2 H2 CYS 1 2HT CYS 1 4.301 0.242 -0.263
3 H3 CYS 1 3HT CYS 1 3.076 1.404 -0.020
4 HA CYS 1 HA CYS 1 3.249 -0.110 1.858
5 HB2 CYS 1 2HB CYS 1 0.764 -0.462 0.167
6 HB3 CYS 1 1HB CYS 1 0.866 -0.743 1.894
7 H TYR 2 H TYR 2 3.099 -2.302 2.622
8 HA TYR 2 HA TYR 2 3.874 -4.272 0.632
9 HB2 TYR 2 2HB TYR 2 5.176 -4.237 2.678
10 HB3 TYR 2 1HB TYR 2 3.721 -4.348 3.658
11 HD1 TYR 2 1HD TYR 2 5.707 -6.252 1.140
12 HD2 TYR 2 2HD TYR 2 2.968 -6.425 4.384
13 HE1 TYR 2 1HE TYR 2 5.917 -8.691 1.182
14 HE2 TYR 2 2HE TYR 2 3.164 -8.857 4.433
15 HH TYR 2 HH TYR 2 5.599 -10.520 2.761
16 H ILE 3 H ILE 3 1.241 -3.455 2.717
17 HA ILE 3 HA ILE 3 -0.252 -5.797 1.890
18 HB ILE 3 HB ILE 3 -1.132 -3.494 3.655
19 HG12 ILE 3 2HG1 ILE 3 0.010 -6.169 4.504
20 HG13 ILE 3 1HG1 ILE 3 0.855 -4.633 4.609
21 HG21 ILE 3 1HG2 ILE 3 -2.228 -6.290 3.295
22 HG22 ILE 3 2HG2 ILE 3 -2.985 -4.788 2.751
23 HG23 ILE 3 3HG2 ILE 3 -2.814 -5.120 4.473
24 HD11 ILE 3 3HD1 ILE 3 -0.015 -5.323 6.763
25 HD12 ILE 3 1HD1 ILE 3 -1.648 -5.385 6.098
26 HD13 ILE 3 2HD1 ILE 3 -0.803 -3.840 6.217
27 H GLN 4 H GLN 4 -1.719 -5.646 0.328
28 HA GLN 4 HA GLN 4 -1.674 -3.301 -1.294
29 HB2 GLN 4 2HB GLN 4 -3.291 -5.835 -1.629
30 HB3 GLN 4 1HB GLN 4 -3.172 -4.555 -2.832
31 HG2 GLN 4 2HG GLN 4 -0.783 -4.911 -3.033
32 HG3 GLN 4 1HG GLN 4 -0.838 -6.137 -1.771
33 HE21 GLN 4 1HE2 GLN 4 0.058 -6.304 -4.498
34 HE22 GLN 4 2HE2 GLN 4 -0.830 -7.567 -5.256
35 H GLY 5 H GLY 5 -3.522 -4.358 1.131
36 HA2 GLY 5 2HA GLY 5 -5.761 -2.537 0.704
37 HA3 GLY 5 1HA GLY 5 -5.475 -3.482 2.169
38 H CYS 6 H CYS 6 -3.816 -1.031 0.329
39 HA CYS 6 HA CYS 6 -3.702 0.824 2.526
40 HB2 CYS 6 2HB CYS 6 -1.777 -0.645 3.031
41 HB3 CYS 6 1HB CYS 6 -1.185 -0.433 1.395
42 H THR 7 H THR 7 -4.702 2.261 1.231
43 HA THR 7 HA THR 7 -3.742 2.650 -1.471
44 HB THR 7 HB THR 7 -6.193 2.448 -1.036
45 HG1 THR 7 1HG THR 7 -6.651 3.787 -2.563
46 HG21 THR 7 3HG2 THR 7 -7.409 4.351 -0.039
47 HG22 THR 7 1HG2 THR 7 -5.870 5.119 0.348
48 HG23 THR 7 2HG2 THR 7 -6.317 3.598 1.119
49 H LEU 8 H LEU 8 -3.775 4.999 -2.163
50 HA LEU 8 HA LEU 8 -2.784 6.902 -0.255
51 HB2 LEU 8 2HB LEU 8 -0.770 5.584 -0.935
52 HB3 LEU 8 1HB LEU 8 -1.113 5.960 -2.607
53 HG LEU 8 HG LEU 8 -0.674 8.352 -2.138
54 HD11 LEU 8 1HD1 LEU 8 -1.264 8.405 0.226
55 HD12 LEU 8 2HD1 LEU 8 0.378 8.993 -0.026
56 HD13 LEU 8 3HD1 LEU 8 0.112 7.369 0.603
57 HD21 LEU 8 3HD2 LEU 8 1.750 8.138 -1.878
58 HD22 LEU 8 1HD2 LEU 8 1.114 6.912 -2.971
59 HD23 LEU 8 2HD2 LEU 8 1.547 6.479 -1.319
60 H SER 9 H SER 9 -2.979 9.019 -1.184
61 HA SER 9 HA SER 9 -4.975 9.243 -3.170
62 HB2 SER 9 2HB SER 9 -3.171 11.371 -2.018
63 HB3 SER 9 1HB SER 9 -4.725 11.632 -2.817
64 HG SER 9 HG SER 9 -5.736 10.523 -1.175
65 HN1 NH2 10 1H SER 9 -4.417 8.587 -5.160
66 HN2 NH2 10 2H SER 9 -3.046 9.118 -6.065
Start of MODEL 12
1 H1 CYS 1 1HT CYS 1 4.516 0.138 0.410
2 H2 CYS 1 2HT CYS 1 3.414 1.416 0.515
3 H3 CYS 1 3HT CYS 1 3.339 0.296 -0.769
4 HA CYS 1 HA CYS 1 2.905 -0.352 2.056
5 HB2 CYS 1 2HB CYS 1 0.943 -0.306 -0.247
6 HB3 CYS 1 1HB CYS 1 0.593 -0.697 1.425
7 H TYR 2 H TYR 2 3.334 -2.450 2.414
8 HA TYR 2 HA TYR 2 3.604 -4.227 0.134
9 HB2 TYR 2 2HB TYR 2 4.060 -4.733 3.091
10 HB3 TYR 2 1HB TYR 2 4.335 -5.905 1.804
11 HD1 TYR 2 1HD TYR 2 5.793 -4.736 -0.215
12 HD2 TYR 2 2HD TYR 2 6.021 -3.840 3.932
13 HE1 TYR 2 1HE TYR 2 8.079 -3.942 -0.524
14 HE2 TYR 2 2HE TYR 2 8.315 -3.034 3.635
15 HH TYR 2 HH TYR 2 10.157 -3.444 2.027
16 H ILE 3 H ILE 3 1.541 -3.491 2.771
17 HA ILE 3 HA ILE 3 -0.322 -5.622 2.332
18 HB ILE 3 HB ILE 3 -0.746 -2.887 3.569
19 HG12 ILE 3 2HG1 ILE 3 -0.126 -5.493 4.975
20 HG13 ILE 3 1HG1 ILE 3 1.035 -4.199 4.728
21 HG21 ILE 3 1HG2 ILE 3 -2.839 -3.938 2.954
22 HG22 ILE 3 2HG2 ILE 3 -2.676 -3.929 4.711
23 HG23 ILE 3 3HG2 ILE 3 -2.378 -5.412 3.804
24 HD11 ILE 3 3HD1 ILE 3 0.155 -4.176 6.990
25 HD12 ILE 3 1HD1 ILE 3 -1.490 -4.032 6.363
26 HD13 ILE 3 2HD1 ILE 3 -0.335 -2.722 6.116
27 H GLN 4 H GLN 4 -1.894 -5.572 0.811
28 HA GLN 4 HA GLN 4 -1.563 -3.543 -1.203
29 HB2 GLN 4 2HB GLN 4 -3.477 -5.857 -1.293
30 HB3 GLN 4 1HB GLN 4 -2.862 -4.928 -2.649
31 HG2 GLN 4 2HG GLN 4 -1.238 -6.767 -0.897
32 HG3 GLN 4 1HG GLN 4 -1.841 -7.153 -2.496
33 HE21 GLN 4 1HE2 GLN 4 0.147 -7.541 -3.297
34 HE22 GLN 4 2HE2 GLN 4 1.332 -6.323 -3.608
35 H GLY 5 H GLY 5 -3.608 -4.342 1.199
36 HA2 GLY 5 2HA GLY 5 -5.788 -2.582 0.420
37 HA3 GLY 5 1HA GLY 5 -5.686 -3.450 1.957
38 H CYS 6 H CYS 6 -3.956 -1.016 0.182
39 HA CYS 6 HA CYS 6 -3.741 0.672 2.572
40 HB2 CYS 6 2HB CYS 6 -1.655 -0.674 2.217
41 HB3 CYS 6 1HB CYS 6 -1.523 0.015 0.610
42 H THR 7 H THR 7 -3.314 2.974 1.863
43 HA THR 7 HA THR 7 -4.097 3.431 -0.909
44 HB THR 7 HB THR 7 -5.327 5.493 -0.067
45 HG1 THR 7 1HG THR 7 -4.306 4.785 2.224
46 HG21 THR 7 3HG2 THR 7 -7.377 4.263 0.513
47 HG22 THR 7 1HG2 THR 7 -6.421 2.808 0.796
48 HG23 THR 7 2HG2 THR 7 -6.526 3.489 -0.824
49 H LEU 8 H LEU 8 -3.304 5.375 -1.793
50 HA LEU 8 HA LEU 8 -0.698 6.060 -0.837
51 HB2 LEU 8 2HB LEU 8 -1.118 5.863 -3.220
52 HB3 LEU 8 1HB LEU 8 -2.353 7.097 -3.138
53 HG LEU 8 HG LEU 8 -0.629 8.772 -2.576
54 HD11 LEU 8 1HD1 LEU 8 1.737 8.216 -2.871
55 HD12 LEU 8 2HD1 LEU 8 1.305 6.511 -3.027
56 HD13 LEU 8 3HD1 LEU 8 1.011 7.363 -1.512
57 HD21 LEU 8 3HD2 LEU 8 0.399 8.868 -4.800
58 HD22 LEU 8 1HD2 LEU 8 -1.316 8.468 -4.887
59 HD23 LEU 8 2HD2 LEU 8 -0.104 7.205 -5.097
60 H SER 9 H SER 9 -0.644 7.258 0.910
61 HA SER 9 HA SER 9 -0.771 8.996 2.308
62 HB2 SER 9 2HB SER 9 -1.588 10.524 -0.172
63 HB3 SER 9 1HB SER 9 -0.949 11.241 1.306
64 HG SER 9 HG SER 9 0.388 10.323 -0.757
65 HN1 NH2 10 1H SER 9 -2.505 7.995 3.393
66 HN2 NH2 10 2H SER 9 -4.104 8.655 3.358
Start of MODEL 13
1 H1 CYS 1 1HT CYS 1 3.527 1.719 0.843
2 H2 CYS 1 2HT CYS 1 3.895 0.695 -0.449
3 H3 CYS 1 3HT CYS 1 4.762 0.580 0.992
4 HA CYS 1 HA CYS 1 2.830 -0.138 2.154
5 HB2 CYS 1 2HB CYS 1 1.530 0.059 -0.571
6 HB3 CYS 1 1HB CYS 1 0.773 -0.640 0.855
7 H TYR 2 H TYR 2 2.707 -2.345 2.455
8 HA TYR 2 HA TYR 2 3.701 -4.014 0.262
9 HB2 TYR 2 2HB TYR 2 4.305 -4.361 3.219
10 HB3 TYR 2 1HB TYR 2 4.802 -5.460 1.943
11 HD1 TYR 2 1HD TYR 2 6.619 -4.849 0.407
12 HD2 TYR 2 2HD TYR 2 5.403 -2.229 3.521
13 HE1 TYR 2 1HE TYR 2 8.666 -3.551 0.102
14 HE2 TYR 2 2HE TYR 2 7.435 -0.920 3.227
15 HH TYR 2 HH TYR 2 9.432 -1.161 0.576
16 H ILE 3 H ILE 3 1.088 -3.197 1.878
17 HA ILE 3 HA ILE 3 -0.039 -5.902 1.839
18 HB ILE 3 HB ILE 3 -1.005 -3.483 3.445
19 HG12 ILE 3 2HG1 ILE 3 0.368 -5.985 4.445
20 HG13 ILE 3 1HG1 ILE 3 1.149 -4.422 4.269
21 HG21 ILE 3 1HG2 ILE 3 -2.806 -5.041 2.819
22 HG22 ILE 3 2HG2 ILE 3 -2.500 -5.080 4.555
23 HG23 ILE 3 3HG2 ILE 3 -1.892 -6.374 3.526
24 HD11 ILE 3 3HD1 ILE 3 -0.377 -3.485 5.936
25 HD12 ILE 3 1HD1 ILE 3 0.531 -4.855 6.577
26 HD13 ILE 3 2HD1 ILE 3 -1.154 -5.059 6.099
27 H GLN 4 H GLN 4 -2.158 -6.020 0.794
28 HA GLN 4 HA GLN 4 -2.263 -4.290 -1.466
29 HB2 GLN 4 2HB GLN 4 -2.732 -6.783 -1.404
30 HB3 GLN 4 1HB GLN 4 -4.266 -6.380 -0.657
31 HG2 GLN 4 2HG GLN 4 -4.954 -5.177 -2.608
32 HG3 GLN 4 1HG GLN 4 -3.371 -5.433 -3.352
33 HE21 GLN 4 1HE2 GLN 4 -2.810 -7.507 -4.013
34 HE22 GLN 4 2HE2 GLN 4 -3.981 -8.740 -4.292
35 H GLY 5 H GLY 5 -3.358 -3.974 1.526
36 HA2 GLY 5 2HA GLY 5 -5.863 -2.578 1.007
37 HA3 GLY 5 1HA GLY 5 -5.089 -2.766 2.580
38 H CYS 6 H CYS 6 -3.928 -1.482 -0.435
39 HA CYS 6 HA CYS 6 -3.749 1.210 0.579
40 HB2 CYS 6 2HB CYS 6 -1.636 0.173 1.321
41 HB3 CYS 6 1HB CYS 6 -1.341 -0.404 -0.311
42 H THR 7 H THR 7 -4.828 2.145 -1.064
43 HA THR 7 HA THR 7 -4.841 1.002 -3.671
44 HB THR 7 HB THR 7 -5.752 3.743 -2.866
45 HG1 THR 7 1HG THR 7 -6.656 1.260 -2.116
46 HG21 THR 7 3HG2 THR 7 -5.786 3.264 -5.276
47 HG22 THR 7 1HG2 THR 7 -7.430 3.418 -4.652
48 HG23 THR 7 2HG2 THR 7 -6.760 1.822 -4.981
49 H LEU 8 H LEU 8 -3.816 1.798 -5.435
50 HA LEU 8 HA LEU 8 -1.372 3.230 -5.081
51 HB2 LEU 8 2HB LEU 8 -2.837 2.433 -7.601
52 HB3 LEU 8 1HB LEU 8 -1.215 3.090 -7.565
53 HG LEU 8 HG LEU 8 -2.061 0.485 -6.326
54 HD11 LEU 8 1HD1 LEU 8 -0.770 -0.550 -8.146
55 HD12 LEU 8 2HD1 LEU 8 -0.486 1.046 -8.843
56 HD13 LEU 8 3HD1 LEU 8 -2.123 0.394 -8.766
57 HD21 LEU 8 3HD2 LEU 8 0.362 0.088 -6.077
58 HD22 LEU 8 1HD2 LEU 8 -0.188 1.471 -5.134
59 HD23 LEU 8 2HD2 LEU 8 0.673 1.725 -6.650
60 H SER 9 H SER 9 -1.405 5.225 -4.629
61 HA SER 9 HA SER 9 -1.866 7.413 -4.480
62 HB2 SER 9 2HB SER 9 -3.102 7.087 -7.235
63 HB3 SER 9 1HB SER 9 -2.629 8.617 -6.489
64 HG SER 9 HG SER 9 -1.170 7.378 -8.035
65 HN1 NH2 10 1H SER 9 -3.309 6.559 -2.824
66 HN2 NH2 10 2H SER 9 -5.003 6.835 -2.941
Start of MODEL 14
1 H1 CYS 1 1HT CYS 1 4.516 0.315 1.054
2 H2 CYS 1 2HT CYS 1 3.388 1.557 0.843
3 H3 CYS 1 3HT CYS 1 3.781 0.542 -0.452
4 HA CYS 1 HA CYS 1 2.484 -0.288 2.043
5 HB2 CYS 1 2HB CYS 1 1.332 0.095 -0.732
6 HB3 CYS 1 1HB CYS 1 0.478 -0.593 0.641
7 H TYR 2 H TYR 2 3.102 -2.277 2.442
8 HA TYR 2 HA TYR 2 3.813 -4.082 0.285
9 HB2 TYR 2 2HB TYR 2 5.263 -4.133 2.226
10 HB3 TYR 2 1HB TYR 2 3.889 -4.376 3.302
11 HD1 TYR 2 1HD TYR 2 5.719 -5.988 0.471
12 HD2 TYR 2 2HD TYR 2 3.266 -6.538 3.906
13 HE1 TYR 2 1HE TYR 2 5.977 -8.405 0.262
14 HE2 TYR 2 2HE TYR 2 3.523 -8.959 3.707
15 HH TYR 2 HH TYR 2 5.802 -10.422 1.670
16 H ILE 3 H ILE 3 1.400 -3.655 2.783
17 HA ILE 3 HA ILE 3 -0.105 -5.975 1.990
18 HB ILE 3 HB ILE 3 -0.978 -3.619 3.709
19 HG12 ILE 3 2HG1 ILE 3 0.229 -6.257 4.602
20 HG13 ILE 3 1HG1 ILE 3 1.066 -4.711 4.611
21 HG21 ILE 3 1HG2 ILE 3 -2.057 -6.442 3.518
22 HG22 ILE 3 2HG2 ILE 3 -2.845 -4.990 2.908
23 HG23 ILE 3 3HG2 ILE 3 -2.623 -5.209 4.643
24 HD11 ILE 3 3HD1 ILE 3 -0.528 -3.867 6.263
25 HD12 ILE 3 1HD1 ILE 3 0.295 -5.318 6.833
26 HD13 ILE 3 2HD1 ILE 3 -1.365 -5.420 6.244
27 H GLN 4 H GLN 4 -1.854 -5.936 0.596
28 HA GLN 4 HA GLN 4 -1.843 -3.729 -1.216
29 HB2 GLN 4 2HB GLN 4 -3.361 -6.324 -1.297
30 HB3 GLN 4 1HB GLN 4 -3.479 -5.095 -2.547
31 HG2 GLN 4 2HG GLN 4 -1.071 -5.270 -2.950
32 HG3 GLN 4 1HG GLN 4 -0.960 -6.514 -1.707
33 HE21 GLN 4 1HE2 GLN 4 -2.030 -5.751 -4.912
34 HE22 GLN 4 2HE2 GLN 4 -2.314 -7.376 -5.411
35 H GLY 5 H GLY 5 -3.290 -3.902 1.557
36 HA2 GLY 5 2HA GLY 5 -5.823 -2.664 0.853
37 HA3 GLY 5 1HA GLY 5 -5.167 -2.848 2.486
38 H CYS 6 H CYS 6 -4.255 -1.310 -0.508
39 HA CYS 6 HA CYS 6 -3.930 1.256 0.768
40 HB2 CYS 6 2HB CYS 6 -1.796 0.216 1.259
41 HB3 CYS 6 1HB CYS 6 -1.614 -0.298 -0.408
42 H THR 7 H THR 7 -5.281 2.228 -0.660
43 HA THR 7 HA THR 7 -5.097 1.762 -3.491
44 HB THR 7 HB THR 7 -6.571 3.937 -2.021
45 HG1 THR 7 1HG THR 7 -8.347 2.290 -2.286
46 HG21 THR 7 3HG2 THR 7 -8.134 3.804 -3.922
47 HG22 THR 7 1HG2 THR 7 -7.154 2.522 -4.633
48 HG23 THR 7 2HG2 THR 7 -6.493 4.147 -4.471
49 H LEU 8 H LEU 8 -4.331 3.349 -4.946
50 HA LEU 8 HA LEU 8 -2.621 5.391 -3.733
51 HB2 LEU 8 2HB LEU 8 -2.322 3.994 -6.403
52 HB3 LEU 8 1HB LEU 8 -1.347 5.350 -5.891
53 HG LEU 8 HG LEU 8 -0.008 3.451 -5.633
54 HD11 LEU 8 1HD1 LEU 8 0.476 3.321 -3.264
55 HD12 LEU 8 2HD1 LEU 8 -1.053 4.118 -2.908
56 HD13 LEU 8 3HD1 LEU 8 0.200 4.980 -3.803
57 HD21 LEU 8 3HD2 LEU 8 -2.241 2.106 -4.110
58 HD22 LEU 8 1HD2 LEU 8 -0.628 1.439 -4.367
59 HD23 LEU 8 2HD2 LEU 8 -1.705 1.704 -5.741
60 H SER 9 H SER 9 -2.797 7.458 -4.446
61 HA SER 9 HA SER 9 -4.593 8.030 -6.632
62 HB2 SER 9 2HB SER 9 -5.016 9.142 -3.831
63 HB3 SER 9 1HB SER 9 -5.935 9.612 -5.263
64 HG SER 9 HG SER 9 -5.938 6.986 -5.104
65 HN1 NH2 10 1H SER 9 -3.341 10.099 -4.051
66 HN2 NH2 10 2H SER 9 -2.233 10.971 -5.042
Start of MODEL 15
1 H1 CYS 1 1HT CYS 1 3.530 1.592 0.807
2 H2 CYS 1 2HT CYS 1 3.533 0.540 -0.530
3 H3 CYS 1 3HT CYS 1 4.692 0.373 0.678
4 HA CYS 1 HA CYS 1 3.095 -0.285 2.255
5 HB2 CYS 1 2HB CYS 1 1.138 0.102 -0.011
6 HB3 CYS 1 1HB CYS 1 0.765 -0.720 1.494
7 H TYR 2 H TYR 2 3.351 -2.401 2.516
8 HA TYR 2 HA TYR 2 3.792 -4.067 0.191
9 HB2 TYR 2 2HB TYR 2 5.350 -4.268 2.083
10 HB3 TYR 2 1HB TYR 2 4.015 -4.641 3.162
11 HD1 TYR 2 1HD TYR 2 5.555 -5.911 0.004
12 HD2 TYR 2 2HD TYR 2 3.641 -6.868 3.670
13 HE1 TYR 2 1HE TYR 2 5.871 -8.284 -0.464
14 HE2 TYR 2 2HE TYR 2 3.948 -9.261 3.209
15 HH TYR 2 HH TYR 2 4.245 -10.703 1.223
16 H ILE 3 H ILE 3 1.427 -3.390 2.597
17 HA ILE 3 HA ILE 3 -0.180 -5.705 2.117
18 HB ILE 3 HB ILE 3 -1.929 -4.602 3.369
19 HG12 ILE 3 2HG1 ILE 3 -0.094 -2.193 3.508
20 HG13 ILE 3 1HG1 ILE 3 -1.547 -2.296 2.521
21 HG21 ILE 3 1HG2 ILE 3 -0.731 -4.344 5.493
22 HG22 ILE 3 2HG2 ILE 3 0.798 -4.311 4.615
23 HG23 ILE 3 3HG2 ILE 3 -0.202 -5.765 4.593
24 HD11 ILE 3 3HD1 ILE 3 -1.437 -2.533 5.492
25 HD12 ILE 3 1HD1 ILE 3 -2.879 -2.588 4.488
26 HD13 ILE 3 2HD1 ILE 3 -1.939 -1.083 4.594
27 H GLN 4 H GLN 4 -2.091 -5.869 0.929
28 HA GLN 4 HA GLN 4 -2.076 -4.288 -1.427
29 HB2 GLN 4 2HB GLN 4 -2.561 -6.694 -1.510
30 HB3 GLN 4 1HB GLN 4 -3.982 -6.449 -0.506
31 HG2 GLN 4 2HG GLN 4 -4.622 -6.728 -2.803
32 HG3 GLN 4 1HG GLN 4 -4.971 -5.088 -2.243
33 HE21 GLN 4 1HE2 GLN 4 -3.025 -7.017 -4.339
34 HE22 GLN 4 2HE2 GLN 4 -2.370 -5.703 -5.250
35 H GLY 5 H GLY 5 -3.524 -4.150 1.492
36 HA2 GLY 5 2HA GLY 5 -5.854 -2.576 0.778
37 HA3 GLY 5 1HA GLY 5 -5.316 -2.920 2.417
38 H CYS 6 H CYS 6 -3.804 -1.389 -0.315
39 HA CYS 6 HA CYS 6 -3.806 1.205 0.885
40 HB2 CYS 6 2HB CYS 6 -1.857 0.162 1.989
41 HB3 CYS 6 1HB CYS 6 -1.212 -0.283 0.418
42 H THR 7 H THR 7 -4.742 2.036 -0.894
43 HA THR 7 HA THR 7 -3.526 1.516 -3.465
44 HB THR 7 HB THR 7 -5.670 2.816 -4.174
45 HG1 THR 7 1HG THR 7 -7.184 1.956 -2.221
46 HG21 THR 7 3HG2 THR 7 -6.987 0.736 -4.118
47 HG22 THR 7 1HG2 THR 7 -5.857 0.055 -2.946
48 HG23 THR 7 2HG2 THR 7 -5.316 0.420 -4.585
49 H LEU 8 H LEU 8 -2.845 3.283 -4.753
50 HA LEU 8 HA LEU 8 -2.587 5.803 -3.286
51 HB2 LEU 8 2HB LEU 8 -0.682 4.576 -5.283
52 HB3 LEU 8 1HB LEU 8 -0.595 6.252 -4.811
53 HG LEU 8 HG LEU 8 -0.201 5.453 -2.439
54 HD11 LEU 8 1HD1 LEU 8 0.620 3.193 -2.112
55 HD12 LEU 8 2HD1 LEU 8 0.233 2.806 -3.787
56 HD13 LEU 8 3HD1 LEU 8 -1.060 3.194 -2.652
57 HD21 LEU 8 3HD2 LEU 8 1.599 6.289 -3.828
58 HD22 LEU 8 1HD2 LEU 8 1.814 4.691 -4.542
59 HD23 LEU 8 2HD2 LEU 8 2.160 4.945 -2.833
60 H SER 9 H SER 9 -4.242 6.958 -4.001
61 HA SER 9 HA SER 9 -4.824 6.952 -6.842
62 HB2 SER 9 2HB SER 9 -6.348 8.229 -4.566
63 HB3 SER 9 1HB SER 9 -6.922 7.963 -6.212
64 HG SER 9 HG SER 9 -6.680 6.233 -4.103
65 HN1 NH2 10 1H SER 9 -3.250 8.263 -7.711
66 HN2 NH2 10 2H SER 9 -3.032 9.922 -7.291
Start of MODEL 16
1 H1 CYS 1 1HT CYS 1 2.868 1.385 -0.088
2 H2 CYS 1 2HT CYS 1 2.467 -0.008 -0.969
3 H3 CYS 1 3HT CYS 1 4.059 0.266 -0.504
4 HA CYS 1 HA CYS 1 3.521 -0.018 1.782
5 HB2 CYS 1 2HB CYS 1 0.729 -0.712 0.792
6 HB3 CYS 1 1HB CYS 1 1.273 -0.646 2.460
7 H TYR 2 H TYR 2 3.118 -2.321 2.676
8 HA TYR 2 HA TYR 2 3.994 -4.198 0.642
9 HB2 TYR 2 2HB TYR 2 5.107 -4.056 2.901
10 HB3 TYR 2 1HB TYR 2 3.614 -4.648 3.619
11 HD1 TYR 2 2HD TYR 2 6.444 -5.514 1.434
12 HD2 TYR 2 1HD TYR 2 3.047 -6.986 3.529
13 HE1 TYR 2 2HE TYR 2 7.204 -7.796 1.039
14 HE2 TYR 2 1HE TYR 2 3.794 -9.276 3.139
15 HH TYR 2 HH TYR 2 6.912 -10.001 2.069
16 H ILE 3 H ILE 3 1.345 -3.644 2.838
17 HA ILE 3 HA ILE 3 -0.197 -5.898 1.870
18 HB ILE 3 HB ILE 3 -0.999 -3.596 3.685
19 HG12 ILE 3 2HG1 ILE 3 -0.030 -6.367 4.453
20 HG13 ILE 3 1HG1 ILE 3 0.889 -4.882 4.632
21 HG21 ILE 3 1HG2 ILE 3 -2.804 -5.099 4.458
22 HG22 ILE 3 2HG2 ILE 3 -2.332 -6.270 3.228
23 HG23 ILE 3 3HG2 ILE 3 -2.943 -4.686 2.753
24 HD11 ILE 3 3HD1 ILE 3 -0.047 -5.615 6.751
25 HD12 ILE 3 1HD1 ILE 3 -1.671 -5.565 6.066
26 HD13 ILE 3 2HD1 ILE 3 -0.751 -4.073 6.261
27 H GLN 4 H GLN 4 -1.882 -5.688 0.399
28 HA GLN 4 HA GLN 4 -1.704 -3.383 -1.303
29 HB2 GLN 4 2HB GLN 4 -3.473 -5.815 -1.558
30 HB3 GLN 4 1HB GLN 4 -3.348 -4.543 -2.759
31 HG2 GLN 4 2HG GLN 4 -0.977 -5.064 -3.072
32 HG3 GLN 4 1HG GLN 4 -1.110 -6.350 -1.873
33 HE21 GLN 4 1HE2 GLN 4 -0.397 -6.473 -4.708
34 HE22 GLN 4 2HE2 GLN 4 -1.520 -7.582 -5.411
35 H GLY 5 H GLY 5 -3.545 -4.279 1.202
36 HA2 GLY 5 2HA GLY 5 -5.861 -2.590 0.677
37 HA3 GLY 5 1HA GLY 5 -5.508 -3.394 2.206
38 H CYS 6 H CYS 6 -3.382 -1.333 0.464
39 HA CYS 6 HA CYS 6 -3.689 0.934 2.239
40 HB2 CYS 6 2HB CYS 6 -1.991 -0.459 3.369
41 HB3 CYS 6 1HB CYS 6 -1.091 -0.610 1.869
42 H THR 7 H THR 7 -4.231 2.227 0.537
43 HA THR 7 HA THR 7 -2.535 2.011 -1.818
44 HB THR 7 HB THR 7 -4.435 3.249 -2.974
45 HG1 THR 7 1HG THR 7 -5.840 2.283 -0.684
46 HG21 THR 7 3HG2 THR 7 -3.997 0.880 -3.342
47 HG22 THR 7 1HG2 THR 7 -5.734 1.160 -3.275
48 HG23 THR 7 2HG2 THR 7 -4.903 0.464 -1.887
49 H LEU 8 H LEU 8 -0.951 3.361 -1.723
50 HA LEU 8 HA LEU 8 -1.495 6.174 -1.100
51 HB2 LEU 8 2HB LEU 8 1.026 4.596 -0.526
52 HB3 LEU 8 1HB LEU 8 0.848 6.318 -0.294
53 HG LEU 8 HG LEU 8 -0.595 4.159 1.249
54 HD11 LEU 8 1HD1 LEU 8 1.591 6.070 2.058
55 HD12 LEU 8 2HD1 LEU 8 1.760 4.331 1.819
56 HD13 LEU 8 3HD1 LEU 8 0.755 4.946 3.129
57 HD21 LEU 8 3HD2 LEU 8 -0.669 7.162 1.559
58 HD22 LEU 8 1HD2 LEU 8 -1.403 5.998 2.663
59 HD23 LEU 8 2HD2 LEU 8 -2.000 6.139 1.013
60 H SER 9 H SER 9 0.015 7.608 -2.245
61 HA SER 9 HA SER 9 0.401 6.625 -4.935
62 HB2 SER 9 2HB SER 9 -0.756 8.789 -4.524
63 HB3 SER 9 1HB SER 9 0.726 9.426 -3.810
64 HG SER 9 HG SER 9 0.292 9.937 -6.043
65 HN1 NH2 10 1H SER 9 2.180 5.344 -4.739
66 HN2 NH2 10 2H SER 9 3.743 5.919 -4.280
Start of MODEL 17
1 H1 CYS 1 1HT CYS 1 2.524 0.267 -0.691
2 H2 CYS 1 2HT CYS 1 4.194 0.305 -0.641
3 H3 CYS 1 3HT CYS 1 3.288 1.508 0.153
4 HA CYS 1 HA CYS 1 4.166 -0.122 1.713
5 HB2 CYS 1 2HB CYS 1 1.958 -0.751 2.714
6 HB3 CYS 1 1HB CYS 1 2.066 0.952 2.280
7 H TYR 2 H TYR 2 3.433 -2.399 2.604
8 HA TYR 2 HA TYR 2 3.932 -4.301 0.469
9 HB2 TYR 2 2HB TYR 2 5.275 -4.513 2.478
10 HB3 TYR 2 1HB TYR 2 3.833 -4.584 3.480
11 HD1 TYR 2 2HD TYR 2 5.648 -6.439 0.793
12 HD2 TYR 2 1HD TYR 2 2.895 -6.659 4.038
13 HE1 TYR 2 2HE TYR 2 5.660 -8.886 0.637
14 HE2 TYR 2 1HE TYR 2 2.904 -9.095 3.890
15 HH TYR 2 HH TYR 2 3.377 -10.819 2.225
16 H ILE 3 H ILE 3 1.442 -3.497 2.816
17 HA ILE 3 HA ILE 3 -0.279 -5.681 2.192
18 HB ILE 3 HB ILE 3 -0.876 -2.981 3.485
19 HG12 ILE 3 2HG1 ILE 3 -0.267 -5.650 4.773
20 HG13 ILE 3 1HG1 ILE 3 0.849 -4.302 4.676
21 HG21 ILE 3 1HG2 ILE 3 -2.926 -4.047 2.704
22 HG22 ILE 3 2HG2 ILE 3 -2.848 -4.077 4.468
23 HG23 ILE 3 3HG2 ILE 3 -2.485 -5.535 3.543
24 HD11 ILE 3 3HD1 ILE 3 -0.157 -4.456 6.878
25 HD12 ILE 3 1HD1 ILE 3 -1.768 -4.335 6.169
26 HD13 ILE 3 2HD1 ILE 3 -0.659 -2.967 6.075
27 H GLN 4 H GLN 4 -2.203 -5.577 0.800
28 HA GLN 4 HA GLN 4 -1.823 -3.678 -1.333
29 HB2 GLN 4 2HB GLN 4 -2.230 -6.111 -1.755
30 HB3 GLN 4 1HB GLN 4 -3.847 -5.900 -1.101
31 HG2 GLN 4 2HG GLN 4 -4.375 -4.345 -2.862
32 HG3 GLN 4 1HG GLN 4 -2.738 -4.510 -3.512
33 HE21 GLN 4 1HE2 GLN 4 -5.258 -5.110 -4.816
34 HE22 GLN 4 2HE2 GLN 4 -5.192 -6.779 -5.231
35 H GLY 5 H GLY 5 -3.850 -4.401 1.148
36 HA2 GLY 5 2HA GLY 5 -5.942 -2.514 0.404
37 HA3 GLY 5 1HA GLY 5 -5.942 -3.511 1.850
38 H CYS 6 H CYS 6 -3.778 -1.042 0.546
39 HA CYS 6 HA CYS 6 -3.786 0.317 3.166
40 HB2 CYS 6 2HB CYS 6 -2.079 0.841 0.723
41 HB3 CYS 6 1HB CYS 6 -1.922 1.628 2.279
42 H THR 7 H THR 7 -4.280 2.613 3.197
43 HA THR 7 HA THR 7 -6.040 3.405 1.078
44 HB THR 7 HB THR 7 -6.125 5.540 2.536
45 HG1 THR 7 1HG THR 7 -5.498 4.750 4.802
46 HG21 THR 7 3HG2 THR 7 -6.978 2.898 3.732
47 HG22 THR 7 1HG2 THR 7 -7.901 3.850 2.571
48 HG23 THR 7 2HG2 THR 7 -7.610 4.479 4.194
49 H LEU 8 H LEU 8 -5.374 4.549 -0.653
50 HA LEU 8 HA LEU 8 -2.673 5.666 -0.505
51 HB2 LEU 8 2HB LEU 8 -4.136 4.601 -2.921
52 HB3 LEU 8 1HB LEU 8 -2.529 5.298 -2.925
53 HG LEU 8 HG LEU 8 -3.292 2.803 -1.443
54 HD11 LEU 8 1HD1 LEU 8 -3.464 2.461 -3.863
55 HD12 LEU 8 2HD1 LEU 8 -2.061 1.608 -3.223
56 HD13 LEU 8 3HD1 LEU 8 -1.849 3.133 -4.084
57 HD21 LEU 8 3HD2 LEU 8 -0.598 4.028 -2.043
58 HD22 LEU 8 1HD2 LEU 8 -0.859 2.463 -1.273
59 HD23 LEU 8 2HD2 LEU 8 -1.383 3.937 -0.466
60 H SER 9 H SER 9 -3.291 7.621 0.183
61 HA SER 9 HA SER 9 -4.564 9.316 -1.843
62 HB2 SER 9 2HB SER 9 -5.075 9.473 1.136
63 HB3 SER 9 1HB SER 9 -5.749 10.541 -0.096
64 HG SER 9 HG SER 9 -7.008 8.669 0.721
65 HN1 NH2 10 1H SER 9 -2.432 9.886 -2.406
66 HN2 NH2 10 2H SER 9 -1.490 10.954 -1.425
Start of MODEL 18
1 H1 CYS 1 1HT CYS 1 3.729 0.807 -0.237
2 H2 CYS 1 2HT CYS 1 4.986 0.218 0.721
3 H3 CYS 1 3HT CYS 1 4.106 1.561 1.227
4 HA CYS 1 HA CYS 1 3.471 -0.399 2.418
5 HB2 CYS 1 2HB CYS 1 1.015 -0.267 1.903
6 HB3 CYS 1 1HB CYS 1 1.779 1.299 2.134
7 H TYR 2 H TYR 2 3.549 -2.525 2.370
8 HA TYR 2 HA TYR 2 3.594 -3.919 -0.166
9 HB2 TYR 2 2HB TYR 2 5.308 -4.375 1.571
10 HB3 TYR 2 1HB TYR 2 4.042 -4.916 2.661
11 HD1 TYR 2 2HD TYR 2 5.540 -5.632 -0.658
12 HD2 TYR 2 1HD TYR 2 3.462 -7.194 2.702
13 HE1 TYR 2 2HE TYR 2 5.775 -7.868 -1.573
14 HE2 TYR 2 1HE TYR 2 3.692 -9.455 1.795
15 HH TYR 2 HH TYR 2 5.808 -10.197 -0.727
16 H ILE 3 H ILE 3 1.565 -3.455 2.594
17 HA ILE 3 HA ILE 3 -0.194 -5.614 2.350
18 HB ILE 3 HB ILE 3 -1.866 -4.187 3.459
19 HG12 ILE 3 2HG1 ILE 3 0.266 -2.039 3.396
20 HG13 ILE 3 1HG1 ILE 3 -1.156 -2.056 2.358
21 HG21 ILE 3 1HG2 ILE 3 0.895 -4.198 4.661
22 HG22 ILE 3 2HG2 ILE 3 -0.331 -5.457 4.796
23 HG23 ILE 3 3HG2 ILE 3 -0.593 -3.884 5.550
24 HD11 ILE 3 3HD1 ILE 3 -1.457 -0.596 4.269
25 HD12 ILE 3 1HD1 ILE 3 -1.148 -1.981 5.334
26 HD13 ILE 3 2HD1 ILE 3 -2.569 -1.981 4.289
27 H GLN 4 H GLN 4 -2.092 -5.923 1.240
28 HA GLN 4 HA GLN 4 -2.222 -4.661 -1.298
29 HB2 GLN 4 2HB GLN 4 -4.071 -6.621 0.009
30 HB3 GLN 4 1HB GLN 4 -4.268 -6.042 -1.633
31 HG2 GLN 4 2HG GLN 4 -2.063 -6.974 -2.196
32 HG3 GLN 4 1HG GLN 4 -1.942 -7.607 -0.553
33 HE21 GLN 4 1HE2 GLN 4 -1.864 -9.707 -1.246
34 HE22 GLN 4 2HE2 GLN 4 -3.238 -10.543 -1.856
35 H GLY 5 H GLY 5 -3.680 -4.150 1.592
36 HA2 GLY 5 2HA GLY 5 -5.901 -2.553 0.603
37 HA3 GLY 5 1HA GLY 5 -5.453 -2.727 2.293
38 H CYS 6 H CYS 6 -3.960 -1.506 -0.629
39 HA CYS 6 HA CYS 6 -3.750 1.190 0.166
40 HB2 CYS 6 2HB CYS 6 -2.025 0.296 1.691
41 HB3 CYS 6 1HB CYS 6 -1.259 -0.541 0.351
42 H THR 7 H THR 7 -3.306 2.356 -1.732
43 HA THR 7 HA THR 7 -3.061 0.803 -4.107
44 HB THR 7 HB THR 7 -3.117 3.154 -5.146
45 HG1 THR 7 1HG THR 7 -2.776 4.570 -3.618
46 HG21 THR 7 3HG2 THR 7 -5.051 1.656 -5.117
47 HG22 THR 7 1HG2 THR 7 -5.560 3.316 -4.815
48 HG23 THR 7 2HG2 THR 7 -5.439 2.174 -3.478
49 H LEU 8 H LEU 8 -1.137 0.086 -4.623
50 HA LEU 8 HA LEU 8 1.180 1.827 -4.214
51 HB2 LEU 8 2HB LEU 8 1.315 -0.316 -3.069
52 HB3 LEU 8 1HB LEU 8 0.996 -1.164 -4.567
53 HG LEU 8 HG LEU 8 3.149 -0.295 -5.460
54 HD11 LEU 8 1HD1 LEU 8 3.553 0.683 -2.638
55 HD12 LEU 8 2HD1 LEU 8 3.391 1.684 -4.082
56 HD13 LEU 8 3HD1 LEU 8 4.788 0.628 -3.895
57 HD21 LEU 8 3HD2 LEU 8 2.959 -2.527 -4.485
58 HD22 LEU 8 1HD2 LEU 8 3.343 -1.871 -2.895
59 HD23 LEU 8 2HD2 LEU 8 4.547 -1.828 -4.188
60 H SER 9 H SER 9 1.337 2.988 -6.043
61 HA SER 9 HA SER 9 0.768 1.880 -8.601
62 HB2 SER 9 2HB SER 9 2.254 4.444 -7.971
63 HB3 SER 9 1HB SER 9 1.349 4.050 -9.430
64 HG SER 9 HG SER 9 -0.540 3.975 -8.164
65 HN1 NH2 10 1H SER 9 3.784 3.417 -7.501
66 HN2 NH2 10 2H SER 9 4.828 2.220 -8.167
Start of MODEL 19
1 H1 CYS 1 1HT CYS 1 3.595 1.472 0.544
2 H2 CYS 1 2HT CYS 1 2.910 0.426 -0.611
3 H3 CYS 1 3HT CYS 1 4.510 0.222 -0.138
4 HA CYS 1 HA CYS 1 3.899 -0.398 2.004
5 HB2 CYS 1 2HB CYS 1 1.443 -0.825 2.469
6 HB3 CYS 1 1HB CYS 1 1.895 0.869 2.412
7 H TYR 2 H TYR 2 3.669 -2.593 2.468
8 HA TYR 2 HA TYR 2 3.703 -4.330 0.134
9 HB2 TYR 2 2HB TYR 2 4.160 -4.908 3.076
10 HB3 TYR 2 1HB TYR 2 4.325 -6.089 1.788
11 HD1 TYR 2 2HD TYR 2 6.162 -5.790 0.102
12 HD2 TYR 2 1HD TYR 2 5.931 -3.421 3.625
13 HE1 TYR 2 2HE TYR 2 8.518 -5.209 -0.146
14 HE2 TYR 2 1HE TYR 2 8.288 -2.831 3.393
15 HH TYR 2 HH TYR 2 10.308 -3.788 2.342
16 H ILE 3 H ILE 3 1.600 -3.192 2.401
17 HA ILE 3 HA ILE 3 -0.278 -5.381 2.395
18 HB ILE 3 HB ILE 3 -0.663 -2.463 3.161
19 HG12 ILE 3 2HG1 ILE 3 0.033 -4.793 4.955
20 HG13 ILE 3 1HG1 ILE 3 1.151 -3.529 4.462
21 HG21 ILE 3 1HG2 ILE 3 -2.535 -3.288 4.537
22 HG22 ILE 3 2HG2 ILE 3 -2.281 -4.909 3.890
23 HG23 ILE 3 3HG2 ILE 3 -2.775 -3.593 2.820
24 HD11 ILE 3 3HD1 ILE 3 0.319 -3.166 6.714
25 HD12 ILE 3 1HD1 ILE 3 -1.336 -3.144 6.108
26 HD13 ILE 3 2HD1 ILE 3 -0.207 -1.874 5.633
27 H GLN 4 H GLN 4 -2.051 -5.471 0.950
28 HA GLN 4 HA GLN 4 -1.882 -3.497 -1.171
29 HB2 GLN 4 2HB GLN 4 -3.154 -6.216 -1.186
30 HB3 GLN 4 1HB GLN 4 -3.343 -5.062 -2.498
31 HG2 GLN 4 2HG GLN 4 -0.851 -5.017 -2.707
32 HG3 GLN 4 1HG GLN 4 -0.795 -6.334 -1.539
33 HE21 GLN 4 1HE2 GLN 4 0.130 -7.721 -3.008
34 HE22 GLN 4 2HE2 GLN 4 -0.756 -8.392 -4.332
35 H GLY 5 H GLY 5 -3.608 -4.199 1.429
36 HA2 GLY 5 2HA GLY 5 -6.118 -3.009 0.608
37 HA3 GLY 5 1HA GLY 5 -5.677 -3.475 2.248
38 H CYS 6 H CYS 6 -4.095 -1.344 -0.005
39 HA CYS 6 HA CYS 6 -4.146 0.766 2.022
40 HB2 CYS 6 2HB CYS 6 -2.393 0.436 -0.427
41 HB3 CYS 6 1HB CYS 6 -2.324 1.807 0.660
42 H THR 7 H THR 7 -5.754 2.152 1.678
43 HA THR 7 HA THR 7 -6.853 2.422 -0.960
44 HB THR 7 HB THR 7 -8.464 2.437 0.785
45 HG1 THR 7 1HG THR 7 -8.430 5.165 0.214
46 HG21 THR 7 3HG2 THR 7 -8.552 4.174 2.559
47 HG22 THR 7 1HG2 THR 7 -6.999 4.789 1.995
48 HG23 THR 7 2HG2 THR 7 -7.109 3.167 2.685
49 H LEU 8 H LEU 8 -6.782 4.176 -2.139
50 HA LEU 8 HA LEU 8 -4.849 6.229 -1.335
51 HB2 LEU 8 2HB LEU 8 -5.084 4.991 -4.081
52 HB3 LEU 8 1HB LEU 8 -4.107 6.394 -3.706
53 HG LEU 8 HG LEU 8 -3.684 3.606 -2.612
54 HD11 LEU 8 1HD1 LEU 8 -1.630 3.667 -3.939
55 HD12 LEU 8 2HD1 LEU 8 -2.142 5.209 -4.632
56 HD13 LEU 8 3HD1 LEU 8 -3.080 3.749 -4.932
57 HD21 LEU 8 3HD2 LEU 8 -1.580 4.522 -1.702
58 HD22 LEU 8 1HD2 LEU 8 -3.004 5.270 -0.977
59 HD23 LEU 8 2HD2 LEU 8 -2.087 6.136 -2.204
60 H SER 9 H SER 9 -5.311 8.261 -1.817
61 HA SER 9 HA SER 9 -8.080 8.809 -2.269
62 HB2 SER 9 2HB SER 9 -5.763 10.698 -1.872
63 HB3 SER 9 1HB SER 9 -7.477 11.034 -1.596
64 HG SER 9 HG SER 9 -6.978 8.923 -0.184
65 HN1 NH2 10 1H SER 9 -8.486 8.373 -4.394
66 HN2 NH2 10 2H SER 9 -7.757 9.192 -5.733
Start of MODEL 20
1 H1 CYS 1 1HT CYS 1 5.179 0.317 0.367
2 H2 CYS 1 2HT CYS 1 4.409 1.645 1.071
3 H3 CYS 1 3HT CYS 1 3.734 0.902 -0.287
4 HA CYS 1 HA CYS 1 4.032 -0.275 2.375
5 HB2 CYS 1 2HB CYS 1 1.521 -0.179 2.348
6 HB3 CYS 1 1HB CYS 1 2.283 1.404 2.349
7 H TYR 2 H TYR 2 3.823 -2.486 2.459
8 HA TYR 2 HA TYR 2 3.099 -3.789 -0.054
9 HB2 TYR 2 2HB TYR 2 4.943 -4.819 2.111
10 HB3 TYR 2 1HB TYR 2 4.377 -5.784 0.758
11 HD1 TYR 2 1HD TYR 2 5.034 -5.127 -1.568
12 HD2 TYR 2 2HD TYR 2 6.751 -3.342 1.881
13 HE1 TYR 2 1HE TYR 2 6.912 -4.326 -2.926
14 HE2 TYR 2 2HE TYR 2 8.615 -2.540 0.558
15 HH TYR 2 HH TYR 2 8.600 -2.621 -2.862
16 H ILE 3 H ILE 3 1.011 -3.250 0.831
17 HA ILE 3 HA ILE 3 -0.109 -5.605 2.022
18 HB ILE 3 HB ILE 3 -1.726 -4.154 3.310
19 HG12 ILE 3 2HG1 ILE 3 0.436 -2.079 2.980
20 HG13 ILE 3 1HG1 ILE 3 -1.172 -2.029 2.262
21 HG21 ILE 3 1HG2 ILE 3 -0.112 -5.495 4.481
22 HG22 ILE 3 2HG2 ILE 3 -0.304 -3.943 5.300
23 HG23 ILE 3 3HG2 ILE 3 1.112 -4.238 4.290
24 HD11 ILE 3 3HD1 ILE 3 -1.031 -0.611 4.234
25 HD12 ILE 3 1HD1 ILE 3 -0.535 -2.032 5.172
26 HD13 ILE 3 2HD1 ILE 3 -2.148 -1.978 4.459
27 H GLN 4 H GLN 4 -2.286 -5.862 1.321
28 HA GLN 4 HA GLN 4 -2.566 -4.944 -1.332
29 HB2 GLN 4 2HB GLN 4 -3.197 -7.211 -0.410
30 HB3 GLN 4 1HB GLN 4 -4.593 -6.426 0.317
31 HG2 GLN 4 2HG GLN 4 -5.260 -7.451 -1.703
32 HG3 GLN 4 1HG GLN 4 -5.265 -5.691 -1.916
33 HE21 GLN 4 1HE2 GLN 4 -3.675 -8.660 -2.759
34 HE22 GLN 4 2HE2 GLN 4 -2.777 -8.032 -4.077
35 H GLY 5 H GLY 5 -3.950 -4.244 1.595
36 HA2 GLY 5 2HA GLY 5 -5.981 -2.452 0.498
37 HA3 GLY 5 1HA GLY 5 -5.757 -2.796 2.209
38 H CYS 6 H CYS 6 -4.018 -1.332 -0.469
39 HA CYS 6 HA CYS 6 -3.666 1.141 0.919
40 HB2 CYS 6 2HB CYS 6 -1.888 -0.189 1.979
41 HB3 CYS 6 1HB CYS 6 -1.237 -0.616 0.398
42 H THR 7 H THR 7 -3.067 2.755 -0.578
43 HA THR 7 HA THR 7 -2.399 1.856 -3.274
44 HB THR 7 HB THR 7 -4.346 4.087 -2.768
45 HG1 THR 7 1HG THR 7 -4.729 1.319 -2.750
46 HG21 THR 7 3HG2 THR 7 -5.007 3.626 -5.107
47 HG22 THR 7 1HG2 THR 7 -3.824 2.321 -5.169
48 HG23 THR 7 2HG2 THR 7 -3.286 3.989 -4.977
49 H LEU 8 H LEU 8 -1.019 3.264 -4.269
50 HA LEU 8 HA LEU 8 0.021 5.435 -2.601
51 HB2 LEU 8 2HB LEU 8 1.602 3.611 -3.164
52 HB3 LEU 8 1HB LEU 8 1.323 3.910 -4.863
53 HG LEU 8 HG LEU 8 2.339 6.157 -4.608
54 HD11 LEU 8 1HD1 LEU 8 2.970 5.218 -1.811
55 HD12 LEU 8 2HD1 LEU 8 1.884 6.541 -2.249
56 HD13 LEU 8 3HD1 LEU 8 3.610 6.668 -2.581
57 HD21 LEU 8 3HD2 LEU 8 4.646 5.351 -4.367
58 HD22 LEU 8 1HD2 LEU 8 3.673 4.279 -5.374
59 HD23 LEU 8 2HD2 LEU 8 4.037 3.838 -3.705
60 H SER 9 H SER 9 0.005 7.462 -3.415
61 HA SER 9 HA SER 9 -0.813 7.827 -6.175
62 HB2 SER 9 2HB SER 9 -2.829 8.008 -4.770
63 HB3 SER 9 1HB SER 9 -2.026 9.195 -3.753
64 HG SER 9 HG SER 9 -2.885 9.453 -6.441
65 HN1 NH2 10 1H SER 9 1.247 8.424 -6.683
66 HN2 NH2 10 2H SER 9 2.055 9.816 -6.053