NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
582013 |
2mgo   |
19595 | 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 5.740 2.550 -0.125
2 H2 CYS 1 2HT CYS 1 5.072 2.861 1.387
3 H3 CYS 1 3HT CYS 1 4.642 3.820 0.062
4 HA CYS 1 HA CYS 1 2.928 2.234 0.643
5 HB2 CYS 1 2HB CYS 1 4.332 1.791 -1.997
6 HB3 CYS 1 1HB CYS 1 2.744 1.142 -1.622
7 H TYR 2 H TYR 2 2.377 -0.218 -0.138
8 HA TYR 2 HA TYR 2 4.384 -2.073 0.287
9 HB2 TYR 2 2HB TYR 2 3.772 -1.449 2.644
10 HB3 TYR 2 1HB TYR 2 2.085 -1.750 2.255
11 HD1 TYR 2 1HD TYR 2 5.390 -3.488 2.179
12 HD2 TYR 2 2HD TYR 2 1.200 -3.817 2.836
13 HE1 TYR 2 1HE TYR 2 5.688 -5.813 2.853
14 HE2 TYR 2 2HE TYR 2 1.490 -6.159 3.512
15 HH TYR 2 HH TYR 2 4.479 -7.464 4.259
16 H ILE 3 H ILE 3 3.329 -4.061 -0.158
17 HA ILE 3 HA ILE 3 1.916 -4.277 -2.480
18 HB ILE 3 HB ILE 3 1.566 -6.288 -0.253
19 HG12 ILE 3 2HG1 ILE 3 3.787 -6.114 -2.309
20 HG13 ILE 3 1HG1 ILE 3 3.942 -5.720 -0.600
21 HG21 ILE 3 1HG2 ILE 3 0.104 -6.656 -2.178
22 HG22 ILE 3 2HG2 ILE 3 1.348 -7.906 -2.103
23 HG23 ILE 3 3HG2 ILE 3 1.490 -6.585 -3.264
24 HD11 ILE 3 3HD1 ILE 3 3.477 -8.030 -0.013
25 HD12 ILE 3 1HD1 ILE 3 4.852 -7.914 -1.110
26 HD13 ILE 3 2HD1 ILE 3 3.279 -8.428 -1.719
27 H GLN 4 H GLN 4 0.534 -4.475 0.514
28 HA GLN 4 HA GLN 4 -2.157 -3.961 -0.636
29 HB2 GLN 4 2HB GLN 4 -3.186 -5.141 1.261
30 HB3 GLN 4 1HB GLN 4 -2.073 -6.173 0.381
31 HG2 GLN 4 2HG GLN 4 -0.396 -5.820 2.131
32 HG3 GLN 4 1HG GLN 4 -1.539 -4.804 3.006
33 HE21 GLN 4 1HE2 GLN 4 -1.614 -6.104 4.777
34 HE22 GLN 4 2HE2 GLN 4 -2.310 -7.672 4.809
35 H ASN 5 H ASN 5 -0.281 -1.878 0.152
36 HA ASN 5 HA ASN 5 -2.046 -0.229 1.562
37 HB2 ASN 5 2HB ASN 5 -1.214 -1.350 3.590
38 HB3 ASN 5 1HB ASN 5 0.440 -1.021 3.119
39 HD21 ASN 5 1HD2 ASN 5 -2.545 0.463 4.229
40 HD22 ASN 5 2HD2 ASN 5 -1.800 1.901 4.829
41 H CYS 6 H CYS 6 -1.607 0.632 -0.477
42 HA CYS 6 HA CYS 6 0.778 2.346 -0.358
43 HB2 CYS 6 2HB CYS 6 0.742 0.752 -2.286
44 HB3 CYS 6 1HB CYS 6 -0.736 1.528 -2.838
45 HA PRO 7 HA PRO 7 -2.395 5.502 0.335
46 HB2 PRO 7 2HB PRO 7 0.048 7.185 0.077
47 HB3 PRO 7 1HB PRO 7 -1.184 7.194 1.344
48 HG2 PRO 7 2HG PRO 7 1.212 6.152 1.808
49 HG3 PRO 7 1HG PRO 7 -0.254 5.387 2.449
50 HD2 PRO 7 2HD PRO 7 1.429 4.592 0.115
51 HD3 PRO 7 1HD PRO 7 0.620 3.579 1.332
52 H LEU 8 H LEU 8 -3.532 5.912 -1.455
53 HA LEU 8 HA LEU 8 -2.131 6.487 -3.939
54 HB2 LEU 8 2HB LEU 8 -5.028 5.902 -3.423
55 HB3 LEU 8 1HB LEU 8 -4.316 6.211 -4.993
56 HG LEU 8 HG LEU 8 -3.694 3.858 -3.191
57 HD11 LEU 8 1HD1 LEU 8 -4.811 2.516 -4.898
58 HD12 LEU 8 2HD1 LEU 8 -5.242 3.990 -5.767
59 HD13 LEU 8 3HD1 LEU 8 -5.902 3.690 -4.161
60 HD21 LEU 8 3HD2 LEU 8 -2.703 4.498 -5.973
61 HD22 LEU 8 1HD2 LEU 8 -2.433 2.979 -5.115
62 HD23 LEU 8 2HD2 LEU 8 -1.739 4.471 -4.494
63 H GLY 9 H GLY 9 -3.209 8.066 -1.579
64 HA2 GLY 9 2HA GLY 9 -2.953 10.621 -2.691
65 HA3 GLY 9 1HA GLY 9 -4.676 10.254 -2.541
Start of MODEL 2
1 H1 CYS 1 1HT CYS 1 5.272 3.593 0.590
2 H2 CYS 1 2HT CYS 1 4.371 3.050 -0.748
3 H3 CYS 1 3HT CYS 1 6.000 2.711 -0.677
4 HA CYS 1 HA CYS 1 5.626 1.282 1.206
5 HB2 CYS 1 2HB CYS 1 3.222 0.746 1.733
6 HB3 CYS 1 1HB CYS 1 3.680 2.389 2.168
7 H TYR 2 H TYR 2 5.164 -0.963 0.716
8 HA TYR 2 HA TYR 2 4.075 -1.386 -1.933
9 HB2 TYR 2 2HB TYR 2 6.578 -1.372 -2.115
10 HB3 TYR 2 1HB TYR 2 6.631 -2.723 -0.992
11 HD1 TYR 2 1HD TYR 2 4.926 -1.801 -4.190
12 HD2 TYR 2 2HD TYR 2 6.869 -4.839 -1.940
13 HE1 TYR 2 1HE TYR 2 4.724 -3.317 -6.088
14 HE2 TYR 2 2HE TYR 2 6.671 -6.376 -3.841
15 HH TYR 2 HH TYR 2 5.764 -5.310 -6.959
16 H ILE 3 H ILE 3 2.298 -1.784 -0.415
17 HA ILE 3 HA ILE 3 2.055 -4.584 0.073
18 HB ILE 3 HB ILE 3 0.760 -3.992 2.133
19 HG12 ILE 3 2HG1 ILE 3 2.302 -1.394 1.963
20 HG13 ILE 3 1HG1 ILE 3 0.560 -1.592 1.855
21 HG21 ILE 3 1HG2 ILE 3 2.848 -5.163 2.360
22 HG22 ILE 3 2HG2 ILE 3 2.730 -3.972 3.659
23 HG23 ILE 3 3HG2 ILE 3 3.751 -3.652 2.258
24 HD11 ILE 3 3HD1 ILE 3 0.559 -2.390 4.208
25 HD12 ILE 3 1HD1 ILE 3 1.153 -0.734 4.025
26 HD13 ILE 3 2HD1 ILE 3 2.287 -2.058 4.273
27 H GLN 4 H GLN 4 -0.463 -4.786 0.627
28 HA GLN 4 HA GLN 4 -1.680 -3.394 -1.597
29 HB2 GLN 4 2HB GLN 4 -1.959 -5.878 -1.197
30 HB3 GLN 4 1HB GLN 4 -2.957 -5.464 0.187
31 HG2 GLN 4 2HG GLN 4 -4.290 -6.037 -1.763
32 HG3 GLN 4 1HG GLN 4 -4.560 -4.363 -1.266
33 HE21 GLN 4 1HE2 GLN 4 -3.135 -6.445 -3.629
34 HE22 GLN 4 2HE2 GLN 4 -2.898 -5.234 -4.838
35 H ASN 5 H ASN 5 -1.283 -2.827 1.478
36 HA ASN 5 HA ASN 5 -3.860 -1.597 2.106
37 HB2 ASN 5 2HB ASN 5 -1.310 -1.635 3.738
38 HB3 ASN 5 1HB ASN 5 -2.838 -0.963 4.285
39 HD21 ASN 5 1HD2 ASN 5 -4.435 -2.343 4.992
40 HD22 ASN 5 2HD2 ASN 5 -4.184 -4.035 5.211
41 H CYS 6 H CYS 6 -1.718 -0.672 0.139
42 HA CYS 6 HA CYS 6 -1.209 2.024 1.002
43 HB2 CYS 6 2HB CYS 6 -0.793 0.678 -1.678
44 HB3 CYS 6 1HB CYS 6 -0.268 2.316 -1.295
45 HA PRO 7 HA PRO 7 -5.284 3.321 -0.198
46 HB2 PRO 7 2HB PRO 7 -4.847 6.025 -0.228
47 HB3 PRO 7 1HB PRO 7 -5.124 5.082 1.238
48 HG2 PRO 7 2HG PRO 7 -2.559 6.061 0.074
49 HG3 PRO 7 1HG PRO 7 -3.066 5.983 1.768
50 HD2 PRO 7 2HD PRO 7 -1.384 4.174 0.667
51 HD3 PRO 7 1HD PRO 7 -2.519 3.754 1.962
52 H LEU 8 H LEU 8 -6.401 3.970 -1.983
53 HA LEU 8 HA LEU 8 -4.857 4.226 -4.427
54 HB2 LEU 8 2HB LEU 8 -7.793 3.862 -3.923
55 HB3 LEU 8 1HB LEU 8 -7.051 3.969 -5.506
56 HG LEU 8 HG LEU 8 -6.500 1.796 -3.463
57 HD11 LEU 8 1HD1 LEU 8 -8.767 1.634 -4.311
58 HD12 LEU 8 2HD1 LEU 8 -7.762 0.331 -4.954
59 HD13 LEU 8 3HD1 LEU 8 -8.163 1.716 -5.966
60 HD21 LEU 8 3HD2 LEU 8 -4.603 2.180 -4.944
61 HD22 LEU 8 1HD2 LEU 8 -5.666 2.060 -6.348
62 HD23 LEU 8 2HD2 LEU 8 -5.394 0.653 -5.328
63 H GLY 9 H GLY 9 -5.838 6.128 -2.297
64 HA2 GLY 9 2HA GLY 9 -5.447 8.522 -3.697
65 HA3 GLY 9 1HA GLY 9 -7.177 8.299 -3.405
Start of MODEL 3
1 H1 CYS 1 1HT CYS 1 3.036 1.885 -1.778
2 H2 CYS 1 2HT CYS 1 4.649 2.312 -1.909
3 H3 CYS 1 3HT CYS 1 3.613 3.233 -0.935
4 HA CYS 1 HA CYS 1 5.067 1.794 0.325
5 HB2 CYS 1 2HB CYS 1 2.149 0.950 0.406
6 HB3 CYS 1 1HB CYS 1 3.305 0.710 1.703
7 H TYR 2 H TYR 2 5.154 -0.623 1.132
8 HA TYR 2 HA TYR 2 5.612 -2.212 -1.230
9 HB2 TYR 2 2HB TYR 2 6.696 -3.838 0.279
10 HB3 TYR 2 1HB TYR 2 7.317 -2.218 0.541
11 HD1 TYR 2 2HD TYR 2 5.327 -4.948 1.976
12 HD2 TYR 2 1HD TYR 2 6.907 -1.066 2.659
13 HE1 TYR 2 2HE TYR 2 4.814 -5.176 4.349
14 HE2 TYR 2 1HE TYR 2 6.404 -1.279 5.051
15 HH TYR 2 HH TYR 2 4.812 -2.593 6.494
16 H ILE 3 H ILE 3 2.983 -1.717 0.520
17 HA ILE 3 HA ILE 3 1.804 -4.253 -0.192
18 HB ILE 3 HB ILE 3 0.376 -3.932 1.890
19 HG12 ILE 3 2HG1 ILE 3 2.803 -2.342 2.762
20 HG13 ILE 3 1HG1 ILE 3 1.165 -1.732 2.568
21 HG21 ILE 3 1HG2 ILE 3 1.902 -5.296 3.279
22 HG22 ILE 3 2HG2 ILE 3 3.208 -4.921 2.153
23 HG23 ILE 3 3HG2 ILE 3 1.811 -5.846 1.604
24 HD11 ILE 3 3HD1 ILE 3 1.729 -2.043 4.910
25 HD12 ILE 3 1HD1 ILE 3 2.072 -3.748 4.613
26 HD13 ILE 3 2HD1 ILE 3 0.429 -3.135 4.429
27 H GLN 4 H GLN 4 -0.335 -4.096 -0.661
28 HA GLN 4 HA GLN 4 -1.186 -1.509 -1.658
29 HB2 GLN 4 2HB GLN 4 -2.472 -4.223 -1.865
30 HB3 GLN 4 1HB GLN 4 -3.087 -2.774 -2.655
31 HG2 GLN 4 2HG GLN 4 -1.004 -2.610 -3.925
32 HG3 GLN 4 1HG GLN 4 -0.426 -4.086 -3.148
33 HE21 GLN 4 1HE2 GLN 4 -0.236 -5.154 -5.072
34 HE22 GLN 4 2HE2 GLN 4 -1.602 -5.688 -5.984
35 H ASN 5 H ASN 5 -1.316 -2.776 1.167
36 HA ASN 5 HA ASN 5 -3.799 -1.437 1.913
37 HB2 ASN 5 2HB ASN 5 -4.044 -3.958 2.132
38 HB3 ASN 5 1HB ASN 5 -2.709 -3.932 3.278
39 HD21 ASN 5 1HD2 ASN 5 -3.051 -2.981 5.320
40 HD22 ASN 5 2HD2 ASN 5 -4.627 -2.721 5.977
41 H CYS 6 H CYS 6 -1.944 0.006 1.784
42 HA CYS 6 HA CYS 6 -0.019 -0.024 3.924
43 HB2 CYS 6 2HB CYS 6 0.500 0.860 1.667
44 HB3 CYS 6 1HB CYS 6 -0.684 2.130 1.907
45 HA PRO 7 HA PRO 7 -3.109 1.850 6.648
46 HB2 PRO 7 2HB PRO 7 -0.790 1.970 8.493
47 HB3 PRO 7 1HB PRO 7 -2.375 1.228 8.746
48 HG2 PRO 7 2HG PRO 7 -0.212 -0.276 8.356
49 HG3 PRO 7 1HG PRO 7 -1.771 -0.722 7.641
50 HD2 PRO 7 2HD PRO 7 0.589 0.593 6.353
51 HD3 PRO 7 1HD PRO 7 -0.458 -0.711 5.744
52 H LEU 8 H LEU 8 -3.592 3.958 6.621
53 HA LEU 8 HA LEU 8 -1.395 5.913 6.753
54 HB2 LEU 8 2HB LEU 8 -3.840 6.036 5.030
55 HB3 LEU 8 1HB LEU 8 -2.790 7.397 5.353
56 HG LEU 8 HG LEU 8 -2.057 4.861 3.871
57 HD11 LEU 8 1HD1 LEU 8 -3.513 6.321 2.593
58 HD12 LEU 8 2HD1 LEU 8 -1.881 6.347 1.923
59 HD13 LEU 8 3HD1 LEU 8 -2.449 7.690 2.912
60 HD21 LEU 8 3HD2 LEU 8 -0.120 5.694 5.081
61 HD22 LEU 8 1HD2 LEU 8 -0.413 7.324 4.474
62 HD23 LEU 8 2HD2 LEU 8 0.064 6.045 3.368
63 H GLY 9 H GLY 9 -3.748 4.757 8.265
64 HA2 GLY 9 2HA GLY 9 -4.420 7.235 9.674
65 HA3 GLY 9 1HA GLY 9 -5.742 6.226 9.093
Start of MODEL 4
1 H1 CYS 1 1HT CYS 1 5.332 2.335 -1.402
2 H2 CYS 1 2HT CYS 1 5.837 2.505 0.175
3 H3 CYS 1 3HT CYS 1 4.837 3.688 -0.506
4 HA CYS 1 HA CYS 1 3.598 2.300 0.982
5 HB2 CYS 1 2HB CYS 1 3.028 1.714 -1.933
6 HB3 CYS 1 1HB CYS 1 1.934 1.385 -0.603
7 H TYR 2 H TYR 2 2.461 -0.006 0.996
8 HA TYR 2 HA TYR 2 4.547 -1.968 0.776
9 HB2 TYR 2 2HB TYR 2 1.840 -2.039 2.127
10 HB3 TYR 2 1HB TYR 2 3.109 -3.240 2.283
11 HD1 TYR 2 2HD TYR 2 5.155 -2.720 3.593
12 HD2 TYR 2 1HD TYR 2 1.859 -0.035 3.445
13 HE1 TYR 2 2HE TYR 2 6.020 -1.547 5.554
14 HE2 TYR 2 1HE TYR 2 2.710 1.138 5.402
15 HH TYR 2 HH TYR 2 4.143 0.776 7.251
16 H ILE 3 H ILE 3 2.697 -3.989 0.646
17 HA ILE 3 HA ILE 3 2.230 -3.965 -2.198
18 HB ILE 3 HB ILE 3 1.569 -6.187 -0.255
19 HG12 ILE 3 2HG1 ILE 3 3.984 -5.820 -2.042
20 HG13 ILE 3 1HG1 ILE 3 3.970 -5.636 -0.293
21 HG21 ILE 3 1HG2 ILE 3 1.773 -6.194 -3.258
22 HG22 ILE 3 2HG2 ILE 3 0.297 -6.363 -2.306
23 HG23 ILE 3 3HG2 ILE 3 1.542 -7.616 -2.238
24 HD11 ILE 3 3HD1 ILE 3 3.417 -8.175 -1.807
25 HD12 ILE 3 1HD1 ILE 3 3.401 -7.994 -0.055
26 HD13 ILE 3 2HD1 ILE 3 4.907 -7.775 -0.948
27 H GLN 4 H GLN 4 0.278 -4.448 0.434
28 HA GLN 4 HA GLN 4 -2.077 -3.595 -1.180
29 HB2 GLN 4 2HB GLN 4 -2.023 -6.020 -0.498
30 HB3 GLN 4 1HB GLN 4 -2.196 -5.497 1.170
31 HG2 GLN 4 2HG GLN 4 -4.328 -6.224 0.189
32 HG3 GLN 4 1HG GLN 4 -4.360 -4.532 0.680
33 HE21 GLN 4 1HE2 GLN 4 -6.042 -4.062 -0.731
34 HE22 GLN 4 2HE2 GLN 4 -5.796 -3.932 -2.429
35 H ASN 5 H ASN 5 -0.289 -2.010 0.433
36 HA ASN 5 HA ASN 5 -2.251 -0.695 2.027
37 HB2 ASN 5 2HB ASN 5 0.338 -1.657 3.289
38 HB3 ASN 5 1HB ASN 5 -0.600 -0.328 3.950
39 HD21 ASN 5 1HD2 ASN 5 -2.541 -0.782 4.958
40 HD22 ASN 5 2HD2 ASN 5 -3.006 -2.378 5.410
41 H CYS 6 H CYS 6 -2.018 0.362 0.121
42 HA CYS 6 HA CYS 6 -0.100 2.562 0.433
43 HB2 CYS 6 2HB CYS 6 0.229 1.093 -1.684
44 HB3 CYS 6 1HB CYS 6 -1.320 1.726 -2.210
45 HA PRO 7 HA PRO 7 -3.878 4.601 1.477
46 HB2 PRO 7 2HB PRO 7 -3.087 7.180 0.789
47 HB3 PRO 7 1HB PRO 7 -2.798 6.396 2.343
48 HG2 PRO 7 2HG PRO 7 -0.982 6.666 -0.010
49 HG3 PRO 7 1HG PRO 7 -0.601 6.796 1.716
50 HD2 PRO 7 2HD PRO 7 0.007 4.614 0.337
51 HD3 PRO 7 1HD PRO 7 -0.591 4.487 2.004
52 H LEU 8 H LEU 8 -5.723 4.795 0.387
53 HA LEU 8 HA LEU 8 -5.680 5.304 -2.479
54 HB2 LEU 8 2HB LEU 8 -7.947 4.566 -0.631
55 HB3 LEU 8 1HB LEU 8 -8.166 4.944 -2.324
56 HG LEU 8 HG LEU 8 -6.613 2.978 -2.807
57 HD11 LEU 8 1HD1 LEU 8 -5.621 2.727 -0.620
58 HD12 LEU 8 2HD1 LEU 8 -6.446 1.248 -1.113
59 HD13 LEU 8 3HD1 LEU 8 -7.196 2.323 0.066
60 HD21 LEU 8 3HD2 LEU 8 -9.000 2.870 -3.173
61 HD22 LEU 8 1HD2 LEU 8 -9.251 2.431 -1.484
62 HD23 LEU 8 2HD2 LEU 8 -8.391 1.331 -2.560
63 H GLY 9 H GLY 9 -5.620 6.946 0.050
64 HA2 GLY 9 2HA GLY 9 -6.102 9.438 -1.063
65 HA3 GLY 9 1HA GLY 9 -7.448 8.991 0.006
Start of MODEL 5
1 H1 CYS 1 1HT CYS 1 4.867 2.928 -1.236
2 H2 CYS 1 2HT CYS 1 6.410 2.408 -0.780
3 H3 CYS 1 3HT CYS 1 5.561 3.495 0.200
4 HA CYS 1 HA CYS 1 5.528 1.230 1.047
5 HB2 CYS 1 2HB CYS 1 3.030 1.065 1.244
6 HB3 CYS 1 1HB CYS 1 3.677 2.648 1.648
7 H TYR 2 H TYR 2 5.118 -0.975 0.693
8 HA TYR 2 HA TYR 2 4.549 -1.654 -2.091
9 HB2 TYR 2 2HB TYR 2 5.971 -3.687 -1.653
10 HB3 TYR 2 1HB TYR 2 6.824 -2.154 -1.725
11 HD1 TYR 2 1HD TYR 2 5.462 -4.676 0.668
12 HD2 TYR 2 2HD TYR 2 8.217 -1.502 0.046
13 HE1 TYR 2 1HE TYR 2 6.500 -5.168 2.809
14 HE2 TYR 2 2HE TYR 2 9.269 -1.976 2.185
15 HH TYR 2 HH TYR 2 8.690 -3.034 4.309
16 H ILE 3 H ILE 3 2.908 -1.499 0.527
17 HA ILE 3 HA ILE 3 1.921 -4.209 0.527
18 HB ILE 3 HB ILE 3 0.683 -3.498 2.577
19 HG12 ILE 3 2HG1 ILE 3 2.458 -1.039 2.442
20 HG13 ILE 3 1HG1 ILE 3 0.724 -1.055 2.166
21 HG21 ILE 3 1HG2 ILE 3 2.627 -3.611 4.073
22 HG22 ILE 3 2HG2 ILE 3 3.685 -3.333 2.689
23 HG23 ILE 3 3HG2 ILE 3 2.700 -4.793 2.767
24 HD11 ILE 3 3HD1 ILE 3 0.357 -1.739 4.472
25 HD12 ILE 3 1HD1 ILE 3 1.274 -0.236 4.385
26 HD13 ILE 3 2HD1 ILE 3 2.098 -1.753 4.751
27 H GLN 4 H GLN 4 -0.082 -4.568 0.080
28 HA GLN 4 HA GLN 4 -1.404 -2.672 -1.652
29 HB2 GLN 4 2HB GLN 4 -2.063 -5.525 -0.993
30 HB3 GLN 4 1HB GLN 4 -3.040 -4.531 -2.071
31 HG2 GLN 4 2HG GLN 4 -0.164 -5.314 -2.453
32 HG3 GLN 4 1HG GLN 4 -1.553 -5.925 -3.356
33 HE21 GLN 4 1HE2 GLN 4 0.643 -3.290 -2.912
34 HE22 GLN 4 2HE2 GLN 4 0.146 -2.387 -4.282
35 H ASN 5 H ASN 5 -1.441 -2.796 1.424
36 HA ASN 5 HA ASN 5 -4.198 -1.776 1.593
37 HB2 ASN 5 2HB ASN 5 -2.535 -3.139 3.727
38 HB3 ASN 5 1HB ASN 5 -3.958 -2.184 4.116
39 HD21 ASN 5 1HD2 ASN 5 -5.969 -2.993 3.638
40 HD22 ASN 5 2HD2 ASN 5 -6.247 -4.623 3.148
41 H CYS 6 H CYS 6 -1.766 -0.537 0.704
42 HA CYS 6 HA CYS 6 -0.716 1.194 2.673
43 HB2 CYS 6 2HB CYS 6 0.477 0.663 0.581
44 HB3 CYS 6 1HB CYS 6 -0.772 1.492 -0.338
45 HA PRO 7 HA PRO 7 -4.215 4.018 2.802
46 HB2 PRO 7 2HB PRO 7 -2.280 5.873 4.036
47 HB3 PRO 7 1HB PRO 7 -3.804 5.263 4.684
48 HG2 PRO 7 2HG PRO 7 -1.442 4.443 5.630
49 HG3 PRO 7 1HG PRO 7 -2.836 3.354 5.526
50 HD2 PRO 7 2HD PRO 7 -0.440 3.543 3.744
51 HD3 PRO 7 1HD PRO 7 -1.329 2.112 4.317
52 H LEU 8 H LEU 8 -4.468 4.614 0.741
53 HA LEU 8 HA LEU 8 -2.592 6.573 -0.367
54 HB2 LEU 8 2HB LEU 8 -4.655 4.882 -1.740
55 HB3 LEU 8 1HB LEU 8 -3.603 6.042 -2.522
56 HG LEU 8 HG LEU 8 -2.716 3.505 -1.124
57 HD11 LEU 8 1HD1 LEU 8 -3.873 3.034 -3.203
58 HD12 LEU 8 2HD1 LEU 8 -2.147 2.709 -3.363
59 HD13 LEU 8 3HD1 LEU 8 -2.837 4.177 -4.056
60 HD21 LEU 8 3HD2 LEU 8 -1.012 5.242 -0.960
61 HD22 LEU 8 1HD2 LEU 8 -1.122 5.530 -2.698
62 HD23 LEU 8 2HD2 LEU 8 -0.508 3.992 -2.095
63 H GLY 9 H GLY 9 -5.224 6.409 1.156
64 HA2 GLY 9 2HA GLY 9 -5.981 8.952 1.391
65 HA3 GLY 9 1HA GLY 9 -6.789 8.495 -0.112
Start of MODEL 6
1 H1 CYS 1 1HT CYS 1 5.587 3.587 0.280
2 H2 CYS 1 2HT CYS 1 4.473 3.100 -0.893
3 H3 CYS 1 3HT CYS 1 6.081 2.648 -1.048
4 HA CYS 1 HA CYS 1 5.902 1.308 0.942
5 HB2 CYS 1 2HB CYS 1 3.567 0.865 1.764
6 HB3 CYS 1 1HB CYS 1 4.149 2.483 2.127
7 H TYR 2 H TYR 2 5.626 -0.877 0.532
8 HA TYR 2 HA TYR 2 4.136 -1.515 -1.881
9 HB2 TYR 2 2HB TYR 2 6.487 -1.885 -2.381
10 HB3 TYR 2 1HB TYR 2 6.709 -2.786 -0.890
11 HD1 TYR 2 1HD TYR 2 4.769 -2.942 -4.110
12 HD2 TYR 2 2HD TYR 2 6.624 -5.113 -0.949
13 HE1 TYR 2 1HE TYR 2 4.304 -5.060 -5.277
14 HE2 TYR 2 2HE TYR 2 6.163 -7.211 -2.100
15 HH TYR 2 HH TYR 2 4.579 -8.074 -3.759
16 H ILE 3 H ILE 3 2.331 -1.652 -0.466
17 HA ILE 3 HA ILE 3 1.966 -4.336 0.397
18 HB ILE 3 HB ILE 3 0.563 -3.397 2.285
19 HG12 ILE 3 2HG1 ILE 3 2.393 -1.018 1.987
20 HG13 ILE 3 1HG1 ILE 3 0.662 -1.039 1.694
21 HG21 ILE 3 1HG2 ILE 3 2.423 -3.391 3.935
22 HG22 ILE 3 2HG2 ILE 3 3.560 -3.340 2.588
23 HG23 ILE 3 3HG2 ILE 3 2.495 -4.730 2.791
24 HD11 ILE 3 3HD1 ILE 3 2.014 -1.459 4.348
25 HD12 ILE 3 1HD1 ILE 3 0.274 -1.480 4.062
26 HD13 ILE 3 2HD1 ILE 3 1.189 0.007 3.815
27 H GLN 4 H GLN 4 -0.408 -4.657 0.570
28 HA GLN 4 HA GLN 4 -1.611 -3.262 -1.687
29 HB2 GLN 4 2HB GLN 4 -2.611 -5.626 -0.114
30 HB3 GLN 4 1HB GLN 4 -3.306 -5.019 -1.610
31 HG2 GLN 4 2HG GLN 4 -1.287 -5.616 -2.809
32 HG3 GLN 4 1HG GLN 4 -0.541 -6.159 -1.305
33 HE21 GLN 4 1HE2 GLN 4 -2.861 -6.857 -3.747
34 HE22 GLN 4 2HE2 GLN 4 -3.183 -8.482 -3.261
35 H ASN 5 H ASN 5 -1.391 -2.756 1.386
36 HA ASN 5 HA ASN 5 -4.108 -1.655 1.651
37 HB2 ASN 5 2HB ASN 5 -2.260 -2.662 3.825
38 HB3 ASN 5 1HB ASN 5 -3.716 -1.735 4.163
39 HD21 ASN 5 1HD2 ASN 5 -4.777 -3.350 5.245
40 HD22 ASN 5 2HD2 ASN 5 -5.331 -4.798 4.471
41 H CYS 6 H CYS 6 -1.788 -0.441 0.403
42 HA CYS 6 HA CYS 6 -0.906 1.721 2.047
43 HB2 CYS 6 2HB CYS 6 -0.928 1.303 -0.950
44 HB3 CYS 6 1HB CYS 6 -0.321 2.774 -0.209
45 HA PRO 7 HA PRO 7 -4.482 4.451 1.669
46 HB2 PRO 7 2HB PRO 7 -3.081 6.857 1.490
47 HB3 PRO 7 1HB PRO 7 -3.541 6.083 3.007
48 HG2 PRO 7 2HG PRO 7 -0.930 6.057 1.581
49 HG3 PRO 7 1HG PRO 7 -1.257 6.095 3.322
50 HD2 PRO 7 2HD PRO 7 -0.468 3.848 2.062
51 HD3 PRO 7 1HD PRO 7 -1.598 3.807 3.432
52 H LEU 8 H LEU 8 -5.412 4.303 -0.278
53 HA LEU 8 HA LEU 8 -4.037 5.448 -2.624
54 HB2 LEU 8 2HB LEU 8 -5.568 2.888 -2.421
55 HB3 LEU 8 1HB LEU 8 -5.071 3.707 -3.897
56 HG LEU 8 HG LEU 8 -3.165 2.622 -1.793
57 HD11 LEU 8 1HD1 LEU 8 -2.703 0.802 -3.338
58 HD12 LEU 8 2HD1 LEU 8 -3.946 1.407 -4.432
59 HD13 LEU 8 3HD1 LEU 8 -4.394 0.804 -2.838
60 HD21 LEU 8 3HD2 LEU 8 -1.467 2.898 -3.512
61 HD22 LEU 8 1HD2 LEU 8 -2.242 4.436 -3.142
62 HD23 LEU 8 2HD2 LEU 8 -2.673 3.557 -4.611
63 H GLY 9 H GLY 9 -6.104 6.232 -0.797
64 HA2 GLY 9 2HA GLY 9 -7.910 7.452 -2.601
65 HA3 GLY 9 1HA GLY 9 -8.698 6.133 -1.732
Start of MODEL 7
1 H1 CYS 1 1HT CYS 1 5.215 3.323 0.881
2 H2 CYS 1 2HT CYS 1 4.895 3.066 -0.762
3 H3 CYS 1 3HT CYS 1 6.234 2.332 -0.045
4 HA CYS 1 HA CYS 1 4.786 1.039 1.361
5 HB2 CYS 1 2HB CYS 1 2.622 2.293 -0.329
6 HB3 CYS 1 1HB CYS 1 2.391 1.037 0.865
7 H TYR 2 H TYR 2 4.698 -1.095 0.649
8 HA TYR 2 HA TYR 2 4.372 -1.466 -2.202
9 HB2 TYR 2 2HB TYR 2 6.061 -3.155 -2.232
10 HB3 TYR 2 1HB TYR 2 6.781 -1.654 -1.661
11 HD1 TYR 2 2HD TYR 2 7.315 -1.499 0.838
12 HD2 TYR 2 1HD TYR 2 6.145 -5.137 -1.025
13 HE1 TYR 2 2HE TYR 2 8.244 -2.768 2.722
14 HE2 TYR 2 1HE TYR 2 7.065 -6.408 0.838
15 HH TYR 2 HH TYR 2 7.936 -4.956 3.768
16 H ILE 3 H ILE 3 2.949 -1.911 0.571
17 HA ILE 3 HA ILE 3 2.081 -4.652 0.073
18 HB ILE 3 HB ILE 3 1.290 -2.837 2.370
19 HG12 ILE 3 2HG1 ILE 3 3.760 -3.109 2.442
20 HG13 ILE 3 1HG1 ILE 3 2.984 -3.895 3.813
21 HG21 ILE 3 1HG2 ILE 3 0.831 -4.928 3.608
22 HG22 ILE 3 2HG2 ILE 3 1.116 -5.820 2.114
23 HG23 ILE 3 3HG2 ILE 3 -0.210 -4.654 2.219
24 HD11 ILE 3 3HD1 ILE 3 3.992 -5.238 1.320
25 HD12 ILE 3 1HD1 ILE 3 3.259 -6.044 2.706
26 HD13 ILE 3 2HD1 ILE 3 4.805 -5.209 2.882
27 H GLN 4 H GLN 4 -0.262 -4.712 0.399
28 HA GLN 4 HA GLN 4 -1.462 -2.853 -1.539
29 HB2 GLN 4 2HB GLN 4 -2.417 -5.547 -0.583
30 HB3 GLN 4 1HB GLN 4 -3.254 -4.559 -1.777
31 HG2 GLN 4 2HG GLN 4 -0.478 -5.702 -2.048
32 HG3 GLN 4 1HG GLN 4 -1.928 -6.325 -2.831
33 HE21 GLN 4 1HE2 GLN 4 -2.815 -5.171 -4.544
34 HE22 GLN 4 2HE2 GLN 4 -1.933 -3.957 -5.380
35 H ASN 5 H ASN 5 -1.099 -2.063 1.139
36 HA ASN 5 HA ASN 5 -3.883 -1.493 1.907
37 HB2 ASN 5 2HB ASN 5 -1.559 -2.055 3.775
38 HB3 ASN 5 1HB ASN 5 -3.086 -1.368 4.300
39 HD21 ASN 5 1HD2 ASN 5 -4.890 -2.695 4.422
40 HD22 ASN 5 2HD2 ASN 5 -4.788 -4.411 4.354
41 H CYS 6 H CYS 6 -1.683 -0.177 0.324
42 HA CYS 6 HA CYS 6 -2.056 2.473 1.183
43 HB2 CYS 6 2HB CYS 6 -0.464 1.931 2.924
44 HB3 CYS 6 1HB CYS 6 0.644 1.233 1.754
45 HA PRO 7 HA PRO 7 -0.989 2.376 -3.147
46 HB2 PRO 7 2HB PRO 7 -2.063 4.713 -3.843
47 HB3 PRO 7 1HB PRO 7 -3.081 3.342 -3.383
48 HG2 PRO 7 2HG PRO 7 -2.280 5.727 -1.766
49 HG3 PRO 7 1HG PRO 7 -3.858 4.931 -1.881
50 HD2 PRO 7 2HD PRO 7 -2.048 4.507 0.156
51 HD3 PRO 7 1HD PRO 7 -3.310 3.355 -0.330
52 H LEU 8 H LEU 8 0.163 3.801 -4.698
53 HA LEU 8 HA LEU 8 2.224 5.387 -3.362
54 HB2 LEU 8 2HB LEU 8 2.190 4.088 -6.075
55 HB3 LEU 8 1HB LEU 8 3.414 5.229 -5.578
56 HG LEU 8 HG LEU 8 4.027 3.600 -3.736
57 HD11 LEU 8 1HD1 LEU 8 2.271 1.716 -5.293
58 HD12 LEU 8 2HD1 LEU 8 1.946 2.336 -3.678
59 HD13 LEU 8 3HD1 LEU 8 3.336 1.287 -3.950
60 HD21 LEU 8 3HD2 LEU 8 4.284 2.665 -6.583
61 HD22 LEU 8 1HD2 LEU 8 5.279 2.131 -5.230
62 HD23 LEU 8 2HD2 LEU 8 5.339 3.811 -5.756
63 H GLY 9 H GLY 9 -0.475 5.744 -4.747
64 HA2 GLY 9 2HA GLY 9 -0.927 8.304 -4.879
65 HA3 GLY 9 1HA GLY 9 0.112 8.138 -6.299
Start of MODEL 8
1 H1 CYS 1 1HT CYS 1 6.088 2.015 -0.013
2 H2 CYS 1 2HT CYS 1 5.222 3.362 -0.546
3 H3 CYS 1 3HT CYS 1 5.309 1.960 -1.505
4 HA CYS 1 HA CYS 1 4.050 2.133 1.133
5 HB2 CYS 1 2HB CYS 1 1.934 1.774 -0.172
6 HB3 CYS 1 1HB CYS 1 2.690 3.320 -0.521
7 H TYR 2 H TYR 2 2.753 0.035 1.551
8 HA TYR 2 HA TYR 2 4.352 -2.152 0.752
9 HB2 TYR 2 2HB TYR 2 1.942 -2.066 2.600
10 HB3 TYR 2 1HB TYR 2 3.129 -3.339 2.449
11 HD1 TYR 2 1HD TYR 2 5.558 -2.781 3.150
12 HD2 TYR 2 2HD TYR 2 2.195 -0.425 4.262
13 HE1 TYR 2 1HE TYR 2 6.830 -1.862 5.028
14 HE2 TYR 2 2HE TYR 2 3.464 0.511 6.134
15 HH TYR 2 HH TYR 2 6.810 0.137 6.468
16 H ILE 3 H ILE 3 3.356 -3.710 -0.141
17 HA ILE 3 HA ILE 3 1.888 -3.192 -2.484
18 HB ILE 3 HB ILE 3 2.168 -5.927 -1.211
19 HG12 ILE 3 2HG1 ILE 3 3.734 -4.606 -3.439
20 HG13 ILE 3 1HG1 ILE 3 4.310 -4.847 -1.797
21 HG21 ILE 3 1HG2 ILE 3 1.327 -5.240 -4.034
22 HG22 ILE 3 2HG2 ILE 3 0.297 -5.936 -2.787
23 HG23 ILE 3 3HG2 ILE 3 1.653 -6.865 -3.426
24 HD11 ILE 3 3HD1 ILE 3 3.652 -7.002 -3.797
25 HD12 ILE 3 1HD1 ILE 3 4.194 -7.282 -2.145
26 HD13 ILE 3 2HD1 ILE 3 5.264 -6.492 -3.295
27 H GLN 4 H GLN 4 0.731 -4.347 0.359
28 HA GLN 4 HA GLN 4 -2.056 -4.334 -0.632
29 HB2 GLN 4 2HB GLN 4 -0.968 -5.404 1.957
30 HB3 GLN 4 1HB GLN 4 -2.655 -5.482 1.476
31 HG2 GLN 4 2HG GLN 4 -2.108 -6.925 -0.377
32 HG3 GLN 4 1HG GLN 4 -0.387 -6.764 -0.034
33 HE21 GLN 4 1HE2 GLN 4 -0.720 -6.938 2.853
34 HE22 GLN 4 2HE2 GLN 4 -1.099 -8.578 3.187
35 H ASN 5 H ASN 5 -0.212 -2.071 0.445
36 HA ASN 5 HA ASN 5 -2.344 -0.774 1.993
37 HB2 ASN 5 2HB ASN 5 0.590 -0.663 2.733
38 HB3 ASN 5 1HB ASN 5 -0.680 0.264 3.497
39 HD21 ASN 5 1HD2 ASN 5 -2.089 -0.771 4.929
40 HD22 ASN 5 2HD2 ASN 5 -1.735 -2.330 5.571
41 H CYS 6 H CYS 6 -1.193 -0.604 -0.795
42 HA CYS 6 HA CYS 6 -0.308 2.177 -0.839
43 HB2 CYS 6 2HB CYS 6 -0.837 0.300 -3.181
44 HB3 CYS 6 1HB CYS 6 -0.126 1.898 -3.292
45 HA PRO 7 HA PRO 7 -4.732 3.022 -1.060
46 HB2 PRO 7 2HB PRO 7 -4.014 5.845 -0.860
47 HB3 PRO 7 1HB PRO 7 -4.905 4.849 0.289
48 HG2 PRO 7 2HG PRO 7 -2.411 5.766 0.789
49 HG3 PRO 7 1HG PRO 7 -3.018 4.228 1.424
50 HD2 PRO 7 2HD PRO 7 -1.226 4.730 -0.923
51 HD3 PRO 7 1HD PRO 7 -1.133 3.480 0.344
52 H LEU 8 H LEU 8 -5.895 3.295 -2.861
53 HA LEU 8 HA LEU 8 -4.629 4.532 -5.169
54 HB2 LEU 8 2HB LEU 8 -7.220 3.002 -4.928
55 HB3 LEU 8 1HB LEU 8 -6.739 3.817 -6.394
56 HG LEU 8 HG LEU 8 -4.704 2.303 -6.441
57 HD11 LEU 8 1HD1 LEU 8 -4.780 0.226 -5.183
58 HD12 LEU 8 2HD1 LEU 8 -6.206 0.794 -4.317
59 HD13 LEU 8 3HD1 LEU 8 -4.661 1.623 -4.114
60 HD21 LEU 8 3HD2 LEU 8 -7.413 1.000 -6.585
61 HD22 LEU 8 1HD2 LEU 8 -5.935 0.383 -7.321
62 HD23 LEU 8 2HD2 LEU 8 -6.623 1.912 -7.872
63 H GLY 9 H GLY 9 -6.277 5.425 -2.770
64 HA2 GLY 9 2HA GLY 9 -6.803 8.061 -3.741
65 HA3 GLY 9 1HA GLY 9 -8.294 7.169 -3.415
Start of MODEL 9
1 H1 CYS 1 1HT CYS 1 5.755 3.360 -0.334
2 H2 CYS 1 2HT CYS 1 6.268 1.851 -0.912
3 H3 CYS 1 3HT CYS 1 6.329 2.190 0.721
4 HA CYS 1 HA CYS 1 3.978 2.281 0.881
5 HB2 CYS 1 2HB CYS 1 3.638 3.135 -1.494
6 HB3 CYS 1 1HB CYS 1 4.011 1.520 -2.065
7 H TYR 2 H TYR 2 2.613 0.154 0.774
8 HA TYR 2 HA TYR 2 4.308 -2.183 0.683
9 HB2 TYR 2 2HB TYR 2 1.958 -1.671 2.546
10 HB3 TYR 2 1HB TYR 2 3.076 -3.023 2.583
11 HD1 TYR 2 2HD TYR 2 5.442 -2.608 3.387
12 HD2 TYR 2 1HD TYR 2 2.368 0.291 3.759
13 HE1 TYR 2 2HE TYR 2 6.762 -1.442 5.092
14 HE2 TYR 2 1HE TYR 2 3.659 1.466 5.452
15 HH TYR 2 HH TYR 2 6.916 0.923 6.038
16 H ILE 3 H ILE 3 3.320 -3.538 -0.602
17 HA ILE 3 HA ILE 3 1.410 -2.692 -2.449
18 HB ILE 3 HB ILE 3 1.983 -5.612 -1.877
19 HG12 ILE 3 2HG1 ILE 3 3.390 -3.690 -3.744
20 HG13 ILE 3 1HG1 ILE 3 4.055 -4.329 -2.250
21 HG21 ILE 3 1HG2 ILE 3 0.979 -4.223 -4.373
22 HG22 ILE 3 2HG2 ILE 3 0.031 -5.275 -3.319
23 HG23 ILE 3 3HG2 ILE 3 1.373 -5.937 -4.252
24 HD11 ILE 3 3HD1 ILE 3 4.020 -6.584 -3.213
25 HD12 ILE 3 1HD1 ILE 3 4.979 -5.467 -4.185
26 HD13 ILE 3 2HD1 ILE 3 3.359 -5.923 -4.708
27 H GLN 4 H GLN 4 0.970 -4.387 0.314
28 HA GLN 4 HA GLN 4 -1.858 -4.914 -0.061
29 HB2 GLN 4 2HB GLN 4 -0.198 -5.195 2.442
30 HB3 GLN 4 1HB GLN 4 -1.888 -5.657 2.328
31 HG2 GLN 4 2HG GLN 4 0.306 -6.819 0.629
32 HG3 GLN 4 1HG GLN 4 -0.310 -7.546 2.110
33 HE21 GLN 4 1HE2 GLN 4 -0.922 -9.379 0.984
34 HE22 GLN 4 2HE2 GLN 4 -2.337 -9.408 -0.009
35 H ASN 5 H ASN 5 -0.410 -2.177 0.434
36 HA ASN 5 HA ASN 5 -2.766 -0.943 1.649
37 HB2 ASN 5 2HB ASN 5 0.086 -0.405 2.518
38 HB3 ASN 5 1HB ASN 5 -1.242 0.682 2.880
39 HD21 ASN 5 1HD2 ASN 5 0.231 -2.380 3.594
40 HD22 ASN 5 2HD2 ASN 5 -0.706 -2.748 4.978
41 H CYS 6 H CYS 6 -1.242 -1.196 -0.995
42 HA CYS 6 HA CYS 6 -0.842 1.614 -1.597
43 HB2 CYS 6 2HB CYS 6 -0.441 -0.851 -3.309
44 HB3 CYS 6 1HB CYS 6 -0.219 0.786 -3.904
45 HA PRO 7 HA PRO 7 -5.065 1.828 -3.132
46 HB2 PRO 7 2HB PRO 7 -4.289 4.472 -4.154
47 HB3 PRO 7 1HB PRO 7 -5.514 4.066 -2.951
48 HG2 PRO 7 2HG PRO 7 -3.218 5.305 -2.287
49 HG3 PRO 7 1HG PRO 7 -4.019 4.155 -1.203
50 HD2 PRO 7 2HD PRO 7 -1.650 3.739 -2.986
51 HD3 PRO 7 1HD PRO 7 -1.945 3.178 -1.321
52 H LEU 8 H LEU 8 -5.449 0.756 -4.956
53 HA LEU 8 HA LEU 8 -3.773 1.265 -7.302
54 HB2 LEU 8 2HB LEU 8 -5.617 -1.005 -6.641
55 HB3 LEU 8 1HB LEU 8 -4.756 -0.823 -8.156
56 HG LEU 8 HG LEU 8 -3.501 -1.214 -5.424
57 HD11 LEU 8 1HD1 LEU 8 -4.570 -3.230 -6.223
58 HD12 LEU 8 2HD1 LEU 8 -2.818 -3.401 -6.276
59 HD13 LEU 8 3HD1 LEU 8 -3.720 -3.096 -7.760
60 HD21 LEU 8 3HD2 LEU 8 -1.381 -1.474 -6.655
61 HD22 LEU 8 1HD2 LEU 8 -2.060 0.142 -6.850
62 HD23 LEU 8 2HD2 LEU 8 -2.210 -1.037 -8.149
63 H GLY 9 H GLY 9 -6.350 2.288 -6.100
64 HA2 GLY 9 2HA GLY 9 -7.351 3.842 -8.027
65 HA3 GLY 9 1HA GLY 9 -8.162 2.300 -8.328
Start of MODEL 10
1 H1 CYS 1 1HT CYS 1 6.266 2.578 -0.438
2 H2 CYS 1 2HT CYS 1 5.251 3.503 0.546
3 H3 CYS 1 3HT CYS 1 4.739 2.995 -0.988
4 HA CYS 1 HA CYS 1 5.351 1.167 1.217
5 HB2 CYS 1 2HB CYS 1 2.908 0.796 1.262
6 HB3 CYS 1 1HB CYS 1 3.310 2.449 1.697
7 H TYR 2 H TYR 2 4.825 -1.029 0.671
8 HA TYR 2 HA TYR 2 4.424 -1.482 -2.185
9 HB2 TYR 2 2HB TYR 2 6.835 -1.760 -1.641
10 HB3 TYR 2 1HB TYR 2 6.415 -2.945 -0.419
11 HD1 TYR 2 2HD TYR 2 5.852 -2.368 -4.091
12 HD2 TYR 2 1HD TYR 2 6.695 -5.166 -1.000
13 HE1 TYR 2 2HE TYR 2 6.032 -4.155 -5.761
14 HE2 TYR 2 1HE TYR 2 6.876 -6.957 -2.652
15 HH TYR 2 HH TYR 2 7.124 -6.359 -5.955
16 H ILE 3 H ILE 3 2.915 -1.697 0.566
17 HA ILE 3 HA ILE 3 2.054 -4.435 0.392
18 HB ILE 3 HB ILE 3 0.695 -3.851 2.401
19 HG12 ILE 3 2HG1 ILE 3 2.176 -1.201 2.251
20 HG13 ILE 3 1HG1 ILE 3 0.454 -1.437 2.002
21 HG21 ILE 3 1HG2 ILE 3 3.657 -3.362 2.615
22 HG22 ILE 3 2HG2 ILE 3 2.830 -4.919 2.690
23 HG23 ILE 3 3HG2 ILE 3 2.591 -3.727 3.969
24 HD11 ILE 3 3HD1 ILE 3 1.943 -1.912 4.573
25 HD12 ILE 3 1HD1 ILE 3 0.211 -2.130 4.328
26 HD13 ILE 3 2HD1 ILE 3 0.924 -0.521 4.200
27 H GLN 4 H GLN 4 -0.266 -4.649 0.558
28 HA GLN 4 HA GLN 4 -1.441 -3.099 -1.635
29 HB2 GLN 4 2HB GLN 4 -3.155 -4.827 -1.825
30 HB3 GLN 4 1HB GLN 4 -1.547 -5.521 -1.855
31 HG2 GLN 4 2HG GLN 4 -1.833 -6.138 0.535
32 HG3 GLN 4 1HG GLN 4 -3.491 -5.555 0.442
33 HE21 GLN 4 1HE2 GLN 4 -4.314 -7.628 0.902
34 HE22 GLN 4 2HE2 GLN 4 -4.261 -8.888 -0.271
35 H ASN 5 H ASN 5 -1.300 -2.304 1.315
36 HA ASN 5 HA ASN 5 -3.900 -1.103 1.313
37 HB2 ASN 5 2HB ASN 5 -4.252 -3.234 2.612
38 HB3 ASN 5 1HB ASN 5 -3.045 -2.680 3.765
39 HD21 ASN 5 1HD2 ASN 5 -6.255 -2.209 2.535
40 HD22 ASN 5 2HD2 ASN 5 -6.815 -1.194 3.804
41 H CYS 6 H CYS 6 -2.232 0.374 0.730
42 HA CYS 6 HA CYS 6 -0.520 1.473 2.728
43 HB2 CYS 6 2HB CYS 6 -1.427 2.638 0.093
44 HB3 CYS 6 1HB CYS 6 -0.088 3.230 1.072
45 HA PRO 7 HA PRO 7 -3.753 3.863 4.804
46 HB2 PRO 7 2HB PRO 7 -1.325 5.194 5.887
47 HB3 PRO 7 1HB PRO 7 -2.706 4.517 6.754
48 HG2 PRO 7 2HG PRO 7 -0.379 3.252 6.751
49 HG3 PRO 7 1HG PRO 7 -1.896 2.347 6.612
50 HD2 PRO 7 2HD PRO 7 0.074 3.081 4.501
51 HD3 PRO 7 1HD PRO 7 -0.825 1.563 4.729
52 H LEU 8 H LEU 8 -4.712 5.501 3.815
53 HA LEU 8 HA LEU 8 -3.156 7.417 2.258
54 HB2 LEU 8 2HB LEU 8 -6.105 6.906 2.430
55 HB3 LEU 8 1HB LEU 8 -5.317 8.104 1.424
56 HG LEU 8 HG LEU 8 -5.000 5.095 1.182
57 HD11 LEU 8 1HD1 LEU 8 -7.203 5.815 0.478
58 HD12 LEU 8 2HD1 LEU 8 -6.238 5.315 -0.910
59 HD13 LEU 8 3HD1 LEU 8 -6.487 7.029 -0.581
60 HD21 LEU 8 3HD2 LEU 8 -2.971 6.252 0.477
61 HD22 LEU 8 1HD2 LEU 8 -3.922 7.312 -0.564
62 HD23 LEU 8 2HD2 LEU 8 -3.818 5.591 -0.919
63 H GLY 9 H GLY 9 -3.876 7.154 5.140
64 HA2 GLY 9 2HA GLY 9 -3.589 9.824 5.914
65 HA3 GLY 9 1HA GLY 9 -5.288 9.362 6.082
Start of MODEL 11
1 H1 CYS 1 1HT CYS 1 4.755 2.499 -1.218
2 H2 CYS 1 2HT CYS 1 3.427 3.073 -0.332
3 H3 CYS 1 3HT CYS 1 3.204 1.988 -1.602
4 HA CYS 1 HA CYS 1 4.599 1.363 0.921
5 HB2 CYS 1 2HB CYS 1 2.011 0.294 -0.207
6 HB3 CYS 1 1HB CYS 1 2.678 -0.016 1.375
7 H TYR 2 H TYR 2 5.035 -1.055 0.985
8 HA TYR 2 HA TYR 2 5.417 -2.107 -1.701
9 HB2 TYR 2 2HB TYR 2 6.786 -3.889 -0.622
10 HB3 TYR 2 1HB TYR 2 7.405 -2.284 -0.277
11 HD1 TYR 2 1HD TYR 2 7.229 -1.367 1.998
12 HD2 TYR 2 2HD TYR 2 5.909 -5.305 1.112
13 HE1 TYR 2 1HE TYR 2 7.221 -1.889 4.380
14 HE2 TYR 2 2HE TYR 2 5.884 -5.838 3.502
15 HH TYR 2 HH TYR 2 5.902 -3.669 5.864
16 H ILE 3 H ILE 3 3.292 -2.068 0.677
17 HA ILE 3 HA ILE 3 1.967 -4.548 -0.080
18 HB ILE 3 HB ILE 3 0.519 -4.085 1.897
19 HG12 ILE 3 2HG1 ILE 3 2.515 -1.904 2.542
20 HG13 ILE 3 1HG1 ILE 3 0.887 -1.620 1.939
21 HG21 ILE 3 1HG2 ILE 3 2.145 -4.700 3.629
22 HG22 ILE 3 2HG2 ILE 3 3.458 -4.278 2.529
23 HG23 ILE 3 3HG2 ILE 3 2.377 -5.618 2.141
24 HD11 ILE 3 3HD1 ILE 3 1.614 -2.922 4.549
25 HD12 ILE 3 1HD1 ILE 3 -0.021 -2.632 3.959
26 HD13 ILE 3 2HD1 ILE 3 1.036 -1.268 4.334
27 H GLN 4 H GLN 4 -0.511 -3.934 0.156
28 HA GLN 4 HA GLN 4 -0.888 -1.436 -1.383
29 HB2 GLN 4 2HB GLN 4 -1.051 -3.672 -2.652
30 HB3 GLN 4 1HB GLN 4 -2.578 -3.884 -1.813
31 HG2 GLN 4 2HG GLN 4 -3.416 -1.830 -2.781
32 HG3 GLN 4 1HG GLN 4 -1.881 -1.580 -3.610
33 HE21 GLN 4 1HE2 GLN 4 -4.818 -3.375 -3.528
34 HE22 GLN 4 2HE2 GLN 4 -4.626 -4.134 -5.068
35 H ASN 5 H ASN 5 -1.271 -2.391 1.486
36 HA ASN 5 HA ASN 5 -4.106 -1.656 1.818
37 HB2 ASN 5 2HB ASN 5 -3.304 -3.958 2.659
38 HB3 ASN 5 1HB ASN 5 -2.364 -3.083 3.858
39 HD21 ASN 5 1HD2 ASN 5 -5.541 -4.007 2.826
40 HD22 ASN 5 2HD2 ASN 5 -6.370 -3.558 4.256
41 H CYS 6 H CYS 6 -2.418 0.239 1.257
42 HA CYS 6 HA CYS 6 -0.987 1.501 3.324
43 HB2 CYS 6 2HB CYS 6 -2.306 2.796 0.934
44 HB3 CYS 6 1HB CYS 6 -0.974 3.446 1.885
45 HA PRO 7 HA PRO 7 -4.626 2.977 5.558
46 HB2 PRO 7 2HB PRO 7 -3.258 4.158 7.590
47 HB3 PRO 7 1HB PRO 7 -3.535 2.416 7.521
48 HG2 PRO 7 2HG PRO 7 -1.087 3.970 6.807
49 HG3 PRO 7 1HG PRO 7 -1.219 2.418 7.648
50 HD2 PRO 7 2HD PRO 7 -0.575 2.646 5.019
51 HD3 PRO 7 1HD PRO 7 -1.421 1.236 5.686
52 H LEU 8 H LEU 8 -5.609 4.727 4.694
53 HA LEU 8 HA LEU 8 -4.005 6.919 3.734
54 HB2 LEU 8 2HB LEU 8 -6.954 6.442 3.588
55 HB3 LEU 8 1HB LEU 8 -6.108 7.800 2.873
56 HG LEU 8 HG LEU 8 -5.789 4.883 2.124
57 HD11 LEU 8 1HD1 LEU 8 -7.036 7.173 0.622
58 HD12 LEU 8 2HD1 LEU 8 -7.894 5.828 1.374
59 HD13 LEU 8 3HD1 LEU 8 -6.814 5.535 0.009
60 HD21 LEU 8 3HD2 LEU 8 -4.397 5.713 0.274
61 HD22 LEU 8 1HD2 LEU 8 -3.679 6.061 1.845
62 HD23 LEU 8 2HD2 LEU 8 -4.493 7.341 0.948
63 H GLY 9 H GLY 9 -5.115 6.289 6.492
64 HA2 GLY 9 2HA GLY 9 -4.470 8.543 7.837
65 HA3 GLY 9 1HA GLY 9 -6.121 8.883 7.312
Start of MODEL 12
1 H1 CYS 1 1HT CYS 1 4.832 3.438 -0.468
2 H2 CYS 1 2HT CYS 1 4.802 2.139 -1.551
3 H3 CYS 1 3HT CYS 1 5.890 2.131 -0.268
4 HA CYS 1 HA CYS 1 4.149 1.967 1.294
5 HB2 CYS 1 2HB CYS 1 1.835 1.426 0.358
6 HB3 CYS 1 1HB CYS 1 2.312 3.106 0.284
7 H TYR 2 H TYR 2 3.168 -0.208 1.840
8 HA TYR 2 HA TYR 2 4.517 -2.255 0.505
9 HB2 TYR 2 2HB TYR 2 4.258 -2.291 2.972
10 HB3 TYR 2 1HB TYR 2 2.507 -2.258 2.779
11 HD1 TYR 2 2HD TYR 2 5.362 -4.227 1.406
12 HD2 TYR 2 1HD TYR 2 1.461 -4.309 3.098
13 HE1 TYR 2 2HE TYR 2 5.353 -6.641 1.220
14 HE2 TYR 2 1HE TYR 2 1.436 -6.766 2.901
15 HH TYR 2 HH TYR 2 4.286 -8.547 2.116
16 H ILE 3 H ILE 3 3.495 -3.651 -0.438
17 HA ILE 3 HA ILE 3 1.815 -3.182 -2.567
18 HB ILE 3 HB ILE 3 1.781 -5.877 -1.207
19 HG12 ILE 3 2HG1 ILE 3 3.707 -4.853 -3.310
20 HG13 ILE 3 1HG1 ILE 3 4.094 -5.006 -1.602
21 HG21 ILE 3 1HG2 ILE 3 1.337 -5.077 -4.093
22 HG22 ILE 3 2HG2 ILE 3 0.100 -5.642 -2.968
23 HG23 ILE 3 3HG2 ILE 3 1.387 -6.733 -3.487
24 HD11 ILE 3 3HD1 ILE 3 3.368 -7.261 -3.459
25 HD12 ILE 3 1HD1 ILE 3 3.765 -7.422 -1.749
26 HD13 ILE 3 2HD1 ILE 3 4.988 -6.861 -2.888
27 H GLN 4 H GLN 4 0.732 -4.435 0.298
28 HA GLN 4 HA GLN 4 -2.092 -4.390 -0.482
29 HB2 GLN 4 2HB GLN 4 -0.953 -5.100 2.217
30 HB3 GLN 4 1HB GLN 4 -2.624 -5.333 1.722
31 HG2 GLN 4 2HG GLN 4 -1.907 -6.917 0.020
32 HG3 GLN 4 1HG GLN 4 -0.227 -6.666 0.491
33 HE21 GLN 4 1HE2 GLN 4 0.070 -8.786 1.057
34 HE22 GLN 4 2HE2 GLN 4 -0.645 -9.485 2.460
35 H ASN 5 H ASN 5 -0.085 -2.243 0.709
36 HA ASN 5 HA ASN 5 -2.121 -0.692 2.176
37 HB2 ASN 5 2HB ASN 5 0.888 -0.296 2.139
38 HB3 ASN 5 1HB ASN 5 -0.250 0.651 3.079
39 HD21 ASN 5 1HD2 ASN 5 0.743 0.164 4.996
40 HD22 ASN 5 2HD2 ASN 5 0.723 -1.391 5.745
41 H CYS 6 H CYS 6 -0.945 -1.093 -0.664
42 HA CYS 6 HA CYS 6 -0.936 1.715 -1.529
43 HB2 CYS 6 2HB CYS 6 -0.337 -0.791 -3.128
44 HB3 CYS 6 1HB CYS 6 -0.177 0.859 -3.696
45 HA PRO 7 HA PRO 7 -5.116 0.833 -3.007
46 HB2 PRO 7 2HB PRO 7 -4.676 3.220 -4.685
47 HB3 PRO 7 1HB PRO 7 -5.951 2.929 -3.498
48 HG2 PRO 7 2HG PRO 7 -3.970 4.679 -3.025
49 HG3 PRO 7 1HG PRO 7 -4.666 3.684 -1.735
50 HD2 PRO 7 2HD PRO 7 -2.088 3.319 -3.220
51 HD3 PRO 7 1HD PRO 7 -2.450 3.079 -1.498
52 H LEU 8 H LEU 8 -4.969 -0.852 -4.366
53 HA LEU 8 HA LEU 8 -3.942 -0.460 -7.011
54 HB2 LEU 8 2HB LEU 8 -2.119 -1.195 -5.686
55 HB3 LEU 8 1HB LEU 8 -3.069 -2.601 -5.164
56 HG LEU 8 HG LEU 8 -3.046 -3.427 -7.507
57 HD11 LEU 8 1HD1 LEU 8 -1.522 -2.414 -9.133
58 HD12 LEU 8 2HD1 LEU 8 -1.196 -1.101 -8.000
59 HD13 LEU 8 3HD1 LEU 8 -2.814 -1.313 -8.665
60 HD21 LEU 8 3HD2 LEU 8 -0.313 -2.887 -6.360
61 HD22 LEU 8 1HD2 LEU 8 -0.697 -4.102 -7.578
62 HD23 LEU 8 2HD2 LEU 8 -1.365 -4.242 -5.954
63 H GLY 9 H GLY 9 -5.801 -0.515 -7.324
64 HA2 GLY 9 2HA GLY 9 -7.116 -2.502 -8.591
65 HA3 GLY 9 1HA GLY 9 -7.634 -2.743 -6.918
Start of MODEL 13
1 H1 CYS 1 1HT CYS 1 5.129 2.725 -1.010
2 H2 CYS 1 2HT CYS 1 4.142 3.297 0.240
3 H3 CYS 1 3HT CYS 1 3.476 2.405 -1.044
4 HA CYS 1 HA CYS 1 5.401 1.350 0.913
5 HB2 CYS 1 2HB CYS 1 2.444 0.874 0.550
6 HB3 CYS 1 1HB CYS 1 3.454 0.060 1.724
7 H TYR 2 H TYR 2 5.288 -1.159 0.728
8 HA TYR 2 HA TYR 2 4.994 -1.885 -2.090
9 HB2 TYR 2 2HB TYR 2 6.447 -3.833 -1.550
10 HB3 TYR 2 1HB TYR 2 7.248 -2.298 -1.272
11 HD1 TYR 2 1HD TYR 2 5.641 -5.191 0.409
12 HD2 TYR 2 2HD TYR 2 8.103 -1.755 0.888
13 HE1 TYR 2 1HE TYR 2 6.250 -5.951 2.649
14 HE2 TYR 2 2HE TYR 2 8.716 -2.499 3.128
15 HH TYR 2 HH TYR 2 8.145 -5.617 4.217
16 H ILE 3 H ILE 3 3.139 -1.800 0.425
17 HA ILE 3 HA ILE 3 2.049 -4.491 0.260
18 HB ILE 3 HB ILE 3 1.195 -2.406 2.271
19 HG12 ILE 3 2HG1 ILE 3 3.624 -4.189 2.633
20 HG13 ILE 3 1HG1 ILE 3 3.686 -2.454 2.361
21 HG21 ILE 3 1HG2 ILE 3 0.925 -4.439 3.699
22 HG22 ILE 3 2HG2 ILE 3 1.385 -5.429 2.310
23 HG23 ILE 3 3HG2 ILE 3 -0.070 -4.436 2.258
24 HD11 ILE 3 3HD1 ILE 3 2.499 -2.091 4.465
25 HD12 ILE 3 1HD1 ILE 3 4.002 -2.982 4.698
26 HD13 ILE 3 2HD1 ILE 3 2.457 -3.835 4.733
27 H GLN 4 H GLN 4 -0.401 -4.246 0.492
28 HA GLN 4 HA GLN 4 -1.232 -2.304 -1.559
29 HB2 GLN 4 2HB GLN 4 -2.336 -5.048 -1.003
30 HB3 GLN 4 1HB GLN 4 -2.995 -3.922 -2.179
31 HG2 GLN 4 2HG GLN 4 -0.958 -3.973 -3.441
32 HG3 GLN 4 1HG GLN 4 -0.183 -4.974 -2.219
33 HE21 GLN 4 1HE2 GLN 4 -3.504 -5.501 -3.149
34 HE22 GLN 4 2HE2 GLN 4 -3.220 -6.962 -4.001
35 H ASN 5 H ASN 5 -1.415 -2.428 1.523
36 HA ASN 5 HA ASN 5 -4.143 -1.317 1.603
37 HB2 ASN 5 2HB ASN 5 -4.315 -2.050 3.999
38 HB3 ASN 5 1HB ASN 5 -4.208 -3.393 2.874
39 HD21 ASN 5 1HD2 ASN 5 -2.662 -1.695 5.454
40 HD22 ASN 5 2HD2 ASN 5 -1.411 -2.854 5.720
41 H CYS 6 H CYS 6 -1.810 0.011 0.975
42 HA CYS 6 HA CYS 6 -0.909 1.512 3.293
43 HB2 CYS 6 2HB CYS 6 0.716 0.732 1.652
44 HB3 CYS 6 1HB CYS 6 -0.134 1.580 0.372
45 HA PRO 7 HA PRO 7 -3.636 5.046 2.595
46 HB2 PRO 7 2HB PRO 7 -1.175 6.633 3.179
47 HB3 PRO 7 1HB PRO 7 -2.774 6.756 3.915
48 HG2 PRO 7 2HG PRO 7 -0.785 5.632 5.244
49 HG3 PRO 7 1HG PRO 7 -2.416 4.942 5.314
50 HD2 PRO 7 2HD PRO 7 -0.028 4.003 3.780
51 HD3 PRO 7 1HD PRO 7 -1.281 3.070 4.628
52 H LEU 8 H LEU 8 -4.075 5.374 0.475
53 HA LEU 8 HA LEU 8 -1.909 6.340 -1.267
54 HB2 LEU 8 2HB LEU 8 -4.432 4.880 -1.954
55 HB3 LEU 8 1HB LEU 8 -3.362 5.622 -3.123
56 HG LEU 8 HG LEU 8 -2.671 3.321 -1.273
57 HD11 LEU 8 1HD1 LEU 8 -3.150 3.386 -4.247
58 HD12 LEU 8 2HD1 LEU 8 -4.199 2.653 -3.032
59 HD13 LEU 8 3HD1 LEU 8 -2.593 1.989 -3.329
60 HD21 LEU 8 3HD2 LEU 8 -0.694 4.677 -1.715
61 HD22 LEU 8 1HD2 LEU 8 -1.035 4.638 -3.448
62 HD23 LEU 8 2HD2 LEU 8 -0.600 3.157 -2.602
63 H GLY 9 H GLY 9 -4.144 7.468 0.401
64 HA2 GLY 9 2HA GLY 9 -4.408 9.991 -0.039
65 HA3 GLY 9 1HA GLY 9 -5.114 9.455 -1.562
Start of MODEL 14
1 H1 CYS 1 1HT CYS 1 5.495 2.402 -1.107
2 H2 CYS 1 2HT CYS 1 4.349 3.371 -0.300
3 H3 CYS 1 3HT CYS 1 3.893 2.367 -1.581
4 HA CYS 1 HA CYS 1 4.961 1.369 0.945
5 HB2 CYS 1 2HB CYS 1 2.130 1.266 -0.114
6 HB3 CYS 1 1HB CYS 1 2.702 0.680 1.427
7 H TYR 2 H TYR 2 5.211 -0.913 0.939
8 HA TYR 2 HA TYR 2 5.221 -2.006 -1.744
9 HB2 TYR 2 2HB TYR 2 6.652 -3.764 -0.924
10 HB3 TYR 2 1HB TYR 2 7.269 -2.242 -0.306
11 HD1 TYR 2 2HD TYR 2 6.890 -1.688 2.136
12 HD2 TYR 2 1HD TYR 2 5.973 -5.517 0.523
13 HE1 TYR 2 2HE TYR 2 6.862 -2.623 4.380
14 HE2 TYR 2 1HE TYR 2 5.948 -6.464 2.776
15 HH TYR 2 HH TYR 2 5.867 -4.554 5.547
16 H ILE 3 H ILE 3 3.084 -1.788 0.598
17 HA ILE 3 HA ILE 3 1.904 -4.308 -0.093
18 HB ILE 3 HB ILE 3 0.595 -3.989 2.115
19 HG12 ILE 3 2HG1 ILE 3 2.051 -3.033 3.975
20 HG13 ILE 3 1HG1 ILE 3 3.048 -2.320 2.724
21 HG21 ILE 3 1HG2 ILE 3 3.455 -4.904 2.111
22 HG22 ILE 3 2HG2 ILE 3 2.028 -5.864 1.713
23 HG23 ILE 3 3HG2 ILE 3 2.274 -5.288 3.363
24 HD11 ILE 3 3HD1 ILE 3 1.146 -0.986 1.983
25 HD12 ILE 3 1HD1 ILE 3 1.520 -0.698 3.681
26 HD13 ILE 3 2HD1 ILE 3 0.147 -1.711 3.240
27 H GLN 4 H GLN 4 -0.245 -4.345 -0.315
28 HA GLN 4 HA GLN 4 -1.292 -2.002 -1.668
29 HB2 GLN 4 2HB GLN 4 -2.589 -4.694 -1.300
30 HB3 GLN 4 1HB GLN 4 -3.151 -3.418 -2.365
31 HG2 GLN 4 2HG GLN 4 -1.117 -3.620 -3.678
32 HG3 GLN 4 1HG GLN 4 -0.559 -4.915 -2.614
33 HE21 GLN 4 1HE2 GLN 4 -1.082 -5.023 -5.456
34 HE22 GLN 4 2HE2 GLN 4 -2.303 -6.229 -5.654
35 H ASN 5 H ASN 5 -1.221 -2.787 1.353
36 HA ASN 5 HA ASN 5 -3.966 -2.088 2.066
37 HB2 ASN 5 2HB ASN 5 -1.587 -2.622 3.891
38 HB3 ASN 5 1HB ASN 5 -3.222 -2.292 4.440
39 HD21 ASN 5 1HD2 ASN 5 -3.380 -4.265 5.502
40 HD22 ASN 5 2HD2 ASN 5 -3.517 -5.751 4.641
41 H CYS 6 H CYS 6 -1.645 -0.515 0.922
42 HA CYS 6 HA CYS 6 -1.725 1.911 2.544
43 HB2 CYS 6 2HB CYS 6 0.444 1.048 1.705
44 HB3 CYS 6 1HB CYS 6 -0.160 1.171 0.061
45 HA PRO 7 HA PRO 7 -5.126 2.792 -0.328
46 HB2 PRO 7 2HB PRO 7 -5.326 5.285 1.219
47 HB3 PRO 7 1HB PRO 7 -6.540 4.030 0.954
48 HG2 PRO 7 2HG PRO 7 -5.368 4.334 3.333
49 HG3 PRO 7 1HG PRO 7 -5.770 2.730 2.693
50 HD2 PRO 7 2HD PRO 7 -3.120 4.137 2.715
51 HD3 PRO 7 1HD PRO 7 -3.519 2.445 3.122
52 H LEU 8 H LEU 8 -4.492 3.403 -2.260
53 HA LEU 8 HA LEU 8 -3.197 6.013 -2.603
54 HB2 LEU 8 2HB LEU 8 -3.396 3.711 -4.534
55 HB3 LEU 8 1HB LEU 8 -2.535 5.207 -4.804
56 HG LEU 8 HG LEU 8 -1.813 3.098 -2.769
57 HD11 LEU 8 1HD1 LEU 8 -1.396 2.379 -5.049
58 HD12 LEU 8 2HD1 LEU 8 0.118 2.690 -4.204
59 HD13 LEU 8 3HD1 LEU 8 -0.498 3.862 -5.368
60 HD21 LEU 8 3HD2 LEU 8 0.249 4.426 -2.466
61 HD22 LEU 8 1HD2 LEU 8 -1.197 5.319 -1.986
62 HD23 LEU 8 2HD2 LEU 8 -0.424 5.666 -3.528
63 H GLY 9 H GLY 9 -5.866 4.445 -2.738
64 HA2 GLY 9 2HA GLY 9 -7.431 6.451 -4.031
65 HA3 GLY 9 1HA GLY 9 -7.328 4.970 -4.990
Start of MODEL 15
1 H1 CYS 1 1HT CYS 1 6.611 2.368 -0.326
2 H2 CYS 1 2HT CYS 1 5.839 3.346 0.830
3 H3 CYS 1 3HT CYS 1 5.163 3.140 -0.713
4 HA CYS 1 HA CYS 1 5.583 1.008 1.232
5 HB2 CYS 1 2HB CYS 1 3.076 1.048 1.372
6 HB3 CYS 1 1HB CYS 1 3.859 2.445 2.091
7 H TYR 2 H TYR 2 4.929 -1.067 0.517
8 HA TYR 2 HA TYR 2 4.103 -1.225 -2.269
9 HB2 TYR 2 2HB TYR 2 5.553 -3.294 -2.402
10 HB3 TYR 2 1HB TYR 2 6.411 -1.752 -2.389
11 HD1 TYR 2 2HD TYR 2 5.518 -4.730 -0.342
12 HD2 TYR 2 1HD TYR 2 7.932 -1.250 -0.665
13 HE1 TYR 2 2HE TYR 2 6.849 -5.485 1.556
14 HE2 TYR 2 1HE TYR 2 9.265 -1.982 1.219
15 HH TYR 2 HH TYR 2 9.126 -5.113 2.448
16 H ILE 3 H ILE 3 2.963 -1.652 0.623
17 HA ILE 3 HA ILE 3 2.117 -4.354 0.431
18 HB ILE 3 HB ILE 3 0.749 -3.833 2.429
19 HG12 ILE 3 2HG1 ILE 3 2.060 -1.099 2.262
20 HG13 ILE 3 1HG1 ILE 3 0.354 -1.444 2.028
21 HG21 ILE 3 1HG2 ILE 3 2.652 -3.549 3.984
22 HG22 ILE 3 2HG2 ILE 3 3.686 -3.216 2.586
23 HG23 ILE 3 3HG2 ILE 3 2.893 -4.779 2.750
24 HD11 ILE 3 3HD1 ILE 3 0.784 -0.503 4.227
25 HD12 ILE 3 1HD1 ILE 3 1.886 -1.831 4.589
26 HD13 ILE 3 2HD1 ILE 3 0.169 -2.150 4.353
27 H GLN 4 H GLN 4 -0.146 -4.668 0.764
28 HA GLN 4 HA GLN 4 -1.515 -3.557 -1.559
29 HB2 GLN 4 2HB GLN 4 -3.062 -5.412 -1.336
30 HB3 GLN 4 1HB GLN 4 -1.398 -5.974 -1.287
31 HG2 GLN 4 2HG GLN 4 -1.601 -6.008 1.221
32 HG3 GLN 4 1HG GLN 4 -3.320 -5.694 1.001
33 HE21 GLN 4 1HE2 GLN 4 -0.782 -7.967 0.641
34 HE22 GLN 4 2HE2 GLN 4 -1.782 -9.337 0.297
35 H ASN 5 H ASN 5 -1.341 -2.266 1.221
36 HA ASN 5 HA ASN 5 -3.957 -1.135 1.171
37 HB2 ASN 5 2HB ASN 5 -4.296 -3.141 2.651
38 HB3 ASN 5 1HB ASN 5 -3.049 -2.498 3.716
39 HD21 ASN 5 1HD2 ASN 5 -4.367 -2.229 5.454
40 HD22 ASN 5 2HD2 ASN 5 -5.633 -1.058 5.528
41 H CYS 6 H CYS 6 -2.342 0.373 0.508
42 HA CYS 6 HA CYS 6 -1.167 1.793 2.799
43 HB2 CYS 6 2HB CYS 6 0.579 0.925 1.330
44 HB3 CYS 6 1HB CYS 6 -0.183 1.700 -0.057
45 HA PRO 7 HA PRO 7 -4.048 4.786 1.172
46 HB2 PRO 7 2HB PRO 7 -4.199 6.363 3.377
47 HB3 PRO 7 1HB PRO 7 -5.085 4.845 3.217
48 HG2 PRO 7 2HG PRO 7 -2.687 5.461 4.835
49 HG3 PRO 7 1HG PRO 7 -3.921 4.221 5.086
50 HD2 PRO 7 2HD PRO 7 -1.329 3.863 3.979
51 HD3 PRO 7 1HD PRO 7 -2.638 2.668 4.058
52 H LEU 8 H LEU 8 -2.626 5.647 -0.366
53 HA LEU 8 HA LEU 8 -0.787 7.743 0.486
54 HB2 LEU 8 2HB LEU 8 -1.322 6.602 -2.261
55 HB3 LEU 8 1HB LEU 8 -0.165 7.870 -1.937
56 HG LEU 8 HG LEU 8 0.031 5.093 -0.770
57 HD11 LEU 8 1HD1 LEU 8 1.453 6.304 -3.144
58 HD12 LEU 8 2HD1 LEU 8 0.227 5.037 -3.215
59 HD13 LEU 8 3HD1 LEU 8 1.777 4.721 -2.436
60 HD21 LEU 8 3HD2 LEU 8 1.154 6.846 0.515
61 HD22 LEU 8 1HD2 LEU 8 1.993 7.377 -0.941
62 HD23 LEU 8 2HD2 LEU 8 2.320 5.779 -0.270
63 H GLY 9 H GLY 9 -3.742 7.368 -0.460
64 HA2 GLY 9 2HA GLY 9 -4.809 9.829 -0.168
65 HA3 GLY 9 1HA GLY 9 -4.187 9.891 -1.820
Start of MODEL 16
1 H1 CYS 1 1HT CYS 1 5.448 3.642 -0.669
2 H2 CYS 1 2HT CYS 1 5.602 2.166 -1.493
3 H3 CYS 1 3HT CYS 1 6.324 2.348 0.019
4 HA CYS 1 HA CYS 1 4.188 2.567 1.020
5 HB2 CYS 1 2HB CYS 1 2.194 1.997 -0.385
6 HB3 CYS 1 1HB CYS 1 2.963 3.505 -0.861
7 H TYR 2 H TYR 2 2.518 0.323 0.842
8 HA TYR 2 HA TYR 2 4.468 -1.795 1.031
9 HB2 TYR 2 2HB TYR 2 1.592 -1.569 1.961
10 HB3 TYR 2 1HB TYR 2 2.707 -2.857 2.375
11 HD1 TYR 2 1HD TYR 2 4.582 -2.401 3.968
12 HD2 TYR 2 2HD TYR 2 1.583 0.500 3.160
13 HE1 TYR 2 1HE TYR 2 5.219 -1.173 5.994
14 HE2 TYR 2 2HE TYR 2 2.207 1.731 5.169
15 HH TYR 2 HH TYR 2 3.309 1.354 7.287
16 H ILE 3 H ILE 3 2.348 -3.671 0.736
17 HA ILE 3 HA ILE 3 1.966 -3.555 -2.196
18 HB ILE 3 HB ILE 3 1.682 -5.965 -0.369
19 HG12 ILE 3 2HG1 ILE 3 3.746 -5.295 -2.478
20 HG13 ILE 3 1HG1 ILE 3 4.009 -5.314 -0.738
21 HG21 ILE 3 1HG2 ILE 3 1.384 -5.812 -3.376
22 HG22 ILE 3 2HG2 ILE 3 0.089 -6.118 -2.217
23 HG23 ILE 3 3HG2 ILE 3 1.384 -7.297 -2.422
24 HD11 ILE 3 3HD1 ILE 3 3.620 -7.721 -0.708
25 HD12 ILE 3 1HD1 ILE 3 4.920 -7.296 -1.819
26 HD13 ILE 3 2HD1 ILE 3 3.323 -7.698 -2.444
27 H GLN 4 H GLN 4 0.224 -4.855 0.282
28 HA GLN 4 HA GLN 4 -2.356 -4.349 -0.928
29 HB2 GLN 4 2HB GLN 4 -2.078 -6.378 0.422
30 HB3 GLN 4 1HB GLN 4 -1.684 -5.409 1.830
31 HG2 GLN 4 2HG GLN 4 -3.942 -6.305 1.966
32 HG3 GLN 4 1HG GLN 4 -3.955 -4.545 1.896
33 HE21 GLN 4 1HE2 GLN 4 -6.021 -4.446 1.152
34 HE22 GLN 4 2HE2 GLN 4 -6.491 -4.896 -0.436
35 H ASN 5 H ASN 5 -0.385 -2.923 1.170
36 HA ASN 5 HA ASN 5 -2.333 -0.863 1.831
37 HB2 ASN 5 2HB ASN 5 0.158 -1.586 3.370
38 HB3 ASN 5 1HB ASN 5 -0.631 -0.026 3.579
39 HD21 ASN 5 1HD2 ASN 5 -2.678 0.032 4.471
40 HD22 ASN 5 2HD2 ASN 5 -3.334 -1.281 5.364
41 H CYS 6 H CYS 6 -1.724 -0.795 -0.412
42 HA CYS 6 HA CYS 6 -0.476 1.806 -0.677
43 HB2 CYS 6 2HB CYS 6 1.325 0.154 -1.248
44 HB3 CYS 6 1HB CYS 6 0.289 -0.468 -2.521
45 HA PRO 7 HA PRO 7 -4.340 1.450 -2.971
46 HB2 PRO 7 2HB PRO 7 -5.279 3.916 -2.406
47 HB3 PRO 7 1HB PRO 7 -5.405 2.581 -1.258
48 HG2 PRO 7 2HG PRO 7 -3.481 4.849 -1.329
49 HG3 PRO 7 1HG PRO 7 -4.254 4.087 0.073
50 HD2 PRO 7 2HD PRO 7 -1.673 3.598 -0.781
51 HD3 PRO 7 1HD PRO 7 -2.629 2.487 0.217
52 H LEU 8 H LEU 8 -4.756 2.095 -5.015
53 HA LEU 8 HA LEU 8 -2.788 3.833 -6.307
54 HB2 LEU 8 2HB LEU 8 -4.779 1.883 -7.440
55 HB3 LEU 8 1HB LEU 8 -3.834 2.976 -8.419
56 HG LEU 8 HG LEU 8 -1.761 1.814 -7.515
57 HD11 LEU 8 1HD1 LEU 8 -2.704 0.823 -5.511
58 HD12 LEU 8 2HD1 LEU 8 -1.985 -0.404 -6.554
59 HD13 LEU 8 3HD1 LEU 8 -3.737 -0.215 -6.496
60 HD21 LEU 8 3HD2 LEU 8 -2.597 1.328 -9.729
61 HD22 LEU 8 1HD2 LEU 8 -3.722 0.140 -9.067
62 HD23 LEU 8 2HD2 LEU 8 -1.984 -0.142 -8.970
63 H GLY 9 H GLY 9 -5.452 4.174 -4.917
64 HA2 GLY 9 2HA GLY 9 -6.172 6.677 -6.006
65 HA3 GLY 9 1HA GLY 9 -7.363 5.438 -6.428
Start of MODEL 17
1 H1 CYS 1 1HT CYS 1 4.377 2.677 -1.463
2 H2 CYS 1 2HT CYS 1 5.881 2.432 -0.745
3 H3 CYS 1 3HT CYS 1 4.730 3.420 0.013
4 HA CYS 1 HA CYS 1 4.866 1.268 1.058
5 HB2 CYS 1 2HB CYS 1 2.301 1.656 -0.501
6 HB3 CYS 1 1HB CYS 1 2.512 0.674 0.933
7 H TYR 2 H TYR 2 5.012 -0.941 0.845
8 HA TYR 2 HA TYR 2 4.948 -1.951 -1.912
9 HB2 TYR 2 2HB TYR 2 7.094 -2.033 -0.509
10 HB3 TYR 2 1HB TYR 2 6.298 -3.280 0.443
11 HD1 TYR 2 2HD TYR 2 7.463 -2.416 -2.957
12 HD2 TYR 2 1HD TYR 2 6.273 -5.536 -0.330
13 HE1 TYR 2 2HE TYR 2 8.221 -4.065 -4.588
14 HE2 TYR 2 1HE TYR 2 7.035 -7.202 -1.960
15 HH TYR 2 HH TYR 2 8.984 -6.415 -4.576
16 H ILE 3 H ILE 3 2.987 -1.639 0.509
17 HA ILE 3 HA ILE 3 1.868 -4.302 0.439
18 HB ILE 3 HB ILE 3 0.628 -3.621 2.457
19 HG12 ILE 3 2HG1 ILE 3 2.308 -1.092 2.376
20 HG13 ILE 3 1HG1 ILE 3 0.592 -1.181 2.033
21 HG21 ILE 3 1HG2 ILE 3 2.505 -3.660 4.040
22 HG22 ILE 3 2HG2 ILE 3 3.610 -3.279 2.721
23 HG23 ILE 3 3HG2 ILE 3 2.735 -4.808 2.719
24 HD11 ILE 3 3HD1 ILE 3 0.150 -1.840 4.327
25 HD12 ILE 3 1HD1 ILE 3 1.035 -0.317 4.267
26 HD13 ILE 3 2HD1 ILE 3 1.876 -1.813 4.678
27 H GLN 4 H GLN 4 -0.219 -4.430 -0.066
28 HA GLN 4 HA GLN 4 -1.268 -2.321 -1.755
29 HB2 GLN 4 2HB GLN 4 -1.465 -4.749 -2.404
30 HB3 GLN 4 1HB GLN 4 -2.591 -4.965 -1.074
31 HG2 GLN 4 2HG GLN 4 -4.127 -3.374 -2.131
32 HG3 GLN 4 1HG GLN 4 -3.000 -3.185 -3.470
33 HE21 GLN 4 1HE2 GLN 4 -4.518 -3.922 -4.951
34 HE22 GLN 4 2HE2 GLN 4 -4.986 -5.579 -5.052
35 H ASN 5 H ASN 5 -1.343 -2.999 1.316
36 HA ASN 5 HA ASN 5 -4.000 -1.973 1.992
37 HB2 ASN 5 2HB ASN 5 -1.726 -2.920 3.740
38 HB3 ASN 5 1HB ASN 5 -3.218 -2.252 4.385
39 HD21 ASN 5 1HD2 ASN 5 -5.093 -3.440 4.199
40 HD22 ASN 5 2HD2 ASN 5 -5.109 -5.120 3.840
41 H CYS 6 H CYS 6 -1.738 -0.419 0.757
42 HA CYS 6 HA CYS 6 -1.185 1.616 2.734
43 HB2 CYS 6 2HB CYS 6 0.491 0.979 1.015
44 HB3 CYS 6 1HB CYS 6 -0.593 1.566 -0.235
45 HA PRO 7 HA PRO 7 -5.069 3.619 1.705
46 HB2 PRO 7 2HB PRO 7 -3.932 5.927 3.148
47 HB3 PRO 7 1HB PRO 7 -5.403 5.018 3.483
48 HG2 PRO 7 2HG PRO 7 -3.219 4.812 5.034
49 HG3 PRO 7 1HG PRO 7 -4.311 3.450 4.756
50 HD2 PRO 7 2HD PRO 7 -1.632 4.002 3.569
51 HD3 PRO 7 1HD PRO 7 -2.375 2.462 4.058
52 H LEU 8 H LEU 8 -5.611 4.854 -0.027
53 HA LEU 8 HA LEU 8 -3.485 6.324 -1.376
54 HB2 LEU 8 2HB LEU 8 -6.236 5.532 -2.308
55 HB3 LEU 8 1HB LEU 8 -5.213 6.622 -3.206
56 HG LEU 8 HG LEU 8 -5.117 4.482 -4.236
57 HD11 LEU 8 1HD1 LEU 8 -2.769 3.912 -4.143
58 HD12 LEU 8 2HD1 LEU 8 -2.590 4.892 -2.691
59 HD13 LEU 8 3HD1 LEU 8 -3.032 5.653 -4.220
60 HD21 LEU 8 3HD2 LEU 8 -5.884 3.108 -2.392
61 HD22 LEU 8 1HD2 LEU 8 -4.340 3.329 -1.569
62 HD23 LEU 8 2HD2 LEU 8 -4.408 2.453 -3.101
63 H GLY 9 H GLY 9 -5.617 6.909 0.760
64 HA2 GLY 9 2HA GLY 9 -5.393 9.654 0.848
65 HA3 GLY 9 1HA GLY 9 -6.868 9.317 -0.064
Start of MODEL 18
1 H1 CYS 1 1HT CYS 1 3.356 2.295 -1.530
2 H2 CYS 1 2HT CYS 1 5.010 2.530 -1.363
3 H3 CYS 1 3HT CYS 1 3.932 3.347 -0.335
4 HA CYS 1 HA CYS 1 4.968 1.505 0.803
5 HB2 CYS 1 2HB CYS 1 2.073 1.007 0.104
6 HB3 CYS 1 1HB CYS 1 2.892 0.377 1.515
7 H TYR 2 H TYR 2 5.056 -0.900 0.984
8 HA TYR 2 HA TYR 2 5.222 -2.087 -1.686
9 HB2 TYR 2 2HB TYR 2 6.641 -3.811 -0.624
10 HB3 TYR 2 1HB TYR 2 7.291 -2.199 -0.359
11 HD1 TYR 2 2HD TYR 2 5.643 -5.088 1.209
12 HD2 TYR 2 1HD TYR 2 7.419 -1.283 1.885
13 HE1 TYR 2 2HE TYR 2 5.681 -5.549 3.582
14 HE2 TYR 2 1HE TYR 2 7.473 -1.738 4.282
15 HH TYR 2 HH TYR 2 6.826 -4.869 5.551
16 H ILE 3 H ILE 3 2.962 -1.742 0.450
17 HA ILE 3 HA ILE 3 1.834 -4.383 0.139
18 HB ILE 3 HB ILE 3 0.534 -3.822 2.210
19 HG12 ILE 3 2HG1 ILE 3 2.643 -1.693 2.628
20 HG13 ILE 3 1HG1 ILE 3 0.963 -1.382 2.212
21 HG21 ILE 3 1HG2 ILE 3 2.294 -4.466 3.796
22 HG22 ILE 3 2HG2 ILE 3 3.502 -4.143 2.553
23 HG23 ILE 3 3HG2 ILE 3 2.318 -5.430 2.320
24 HD11 ILE 3 3HD1 ILE 3 1.358 -1.030 4.574
25 HD12 ILE 3 1HD1 ILE 3 1.960 -2.680 4.738
26 HD13 ILE 3 2HD1 ILE 3 0.269 -2.393 4.330
27 H GLN 4 H GLN 4 -0.356 -4.312 -0.270
28 HA GLN 4 HA GLN 4 -1.173 -1.962 -1.755
29 HB2 GLN 4 2HB GLN 4 -2.961 -3.272 -2.655
30 HB3 GLN 4 1HB GLN 4 -1.541 -4.311 -2.577
31 HG2 GLN 4 2HG GLN 4 -2.405 -5.311 -0.506
32 HG3 GLN 4 1HG GLN 4 -3.841 -4.303 -0.638
33 HE21 GLN 4 1HE2 GLN 4 -3.656 -7.139 -0.569
34 HE22 GLN 4 2HE2 GLN 4 -4.343 -7.722 -2.038
35 H ASN 5 H ASN 5 -1.427 -3.040 1.216
36 HA ASN 5 HA ASN 5 -3.896 -1.606 1.953
37 HB2 ASN 5 2HB ASN 5 -2.051 -3.344 3.636
38 HB3 ASN 5 1HB ASN 5 -3.523 -2.585 4.229
39 HD21 ASN 5 1HD2 ASN 5 -2.825 -5.404 4.100
40 HD22 ASN 5 2HD2 ASN 5 -4.021 -6.164 3.122
41 H CYS 6 H CYS 6 -1.725 -0.265 0.953
42 HA CYS 6 HA CYS 6 0.142 0.900 2.616
43 HB2 CYS 6 2HB CYS 6 0.088 1.083 0.158
44 HB3 CYS 6 1HB CYS 6 -1.326 2.102 0.274
45 HA PRO 7 HA PRO 7 -2.553 3.372 5.279
46 HB2 PRO 7 2HB PRO 7 -0.022 4.702 6.019
47 HB3 PRO 7 1HB PRO 7 -1.180 3.862 7.052
48 HG2 PRO 7 2HG PRO 7 1.229 2.814 6.478
49 HG3 PRO 7 1HG PRO 7 -0.214 1.807 6.693
50 HD2 PRO 7 2HD PRO 7 1.159 2.637 4.175
51 HD3 PRO 7 1HD PRO 7 0.387 1.093 4.603
52 H LEU 8 H LEU 8 -3.592 4.688 3.865
53 HA LEU 8 HA LEU 8 -2.078 6.865 2.618
54 HB2 LEU 8 2HB LEU 8 -4.812 5.796 2.014
55 HB3 LEU 8 1HB LEU 8 -4.073 7.154 1.190
56 HG LEU 8 HG LEU 8 -3.083 4.299 1.135
57 HD11 LEU 8 1HD1 LEU 8 -4.472 5.954 -0.965
58 HD12 LEU 8 2HD1 LEU 8 -5.170 4.598 -0.081
59 HD13 LEU 8 3HD1 LEU 8 -3.824 4.330 -1.188
60 HD21 LEU 8 3HD2 LEU 8 -2.134 6.751 -0.344
61 HD22 LEU 8 1HD2 LEU 8 -1.581 5.100 -0.622
62 HD23 LEU 8 2HD2 LEU 8 -1.256 5.884 0.920
63 H GLY 9 H GLY 9 -3.824 6.269 5.071
64 HA2 GLY 9 2HA GLY 9 -3.998 8.640 6.323
65 HA3 GLY 9 1HA GLY 9 -5.391 8.704 5.237
Start of MODEL 19
1 H1 CYS 1 1HT CYS 1 4.373 2.752 -1.389
2 H2 CYS 1 2HT CYS 1 6.011 2.407 -1.114
3 H3 CYS 1 3HT CYS 1 5.211 3.509 -0.118
4 HA CYS 1 HA CYS 1 5.495 1.399 0.942
5 HB2 CYS 1 2HB CYS 1 3.070 1.003 1.445
6 HB3 CYS 1 1HB CYS 1 3.561 2.686 1.590
7 H TYR 2 H TYR 2 5.512 -0.797 0.778
8 HA TYR 2 HA TYR 2 4.773 -1.877 -1.841
9 HB2 TYR 2 2HB TYR 2 7.189 -1.931 -1.117
10 HB3 TYR 2 1HB TYR 2 6.716 -2.969 0.215
11 HD1 TYR 2 1HD TYR 2 6.208 -2.870 -3.495
12 HD2 TYR 2 2HD TYR 2 7.219 -5.195 -0.084
13 HE1 TYR 2 1HE TYR 2 6.570 -4.808 -4.936
14 HE2 TYR 2 2HE TYR 2 7.579 -7.148 -1.510
15 HH TYR 2 HH TYR 2 7.013 -7.989 -3.640
16 H ILE 3 H ILE 3 2.588 -1.628 -0.528
17 HA ILE 3 HA ILE 3 1.943 -4.227 0.627
18 HB ILE 3 HB ILE 3 0.638 -1.789 1.775
19 HG12 ILE 3 2HG1 ILE 3 3.273 -2.820 2.878
20 HG13 ILE 3 1HG1 ILE 3 3.095 -1.305 2.006
21 HG21 ILE 3 1HG2 ILE 3 0.485 -3.211 3.794
22 HG22 ILE 3 2HG2 ILE 3 1.360 -4.478 2.935
23 HG23 ILE 3 3HG2 ILE 3 -0.227 -3.956 2.364
24 HD11 ILE 3 3HD1 ILE 3 3.217 -0.942 4.406
25 HD12 ILE 3 1HD1 ILE 3 1.825 -1.998 4.644
26 HD13 ILE 3 2HD1 ILE 3 1.635 -0.467 3.785
27 H GLN 4 H GLN 4 -0.418 -4.380 0.543
28 HA GLN 4 HA GLN 4 -1.538 -2.875 -1.726
29 HB2 GLN 4 2HB GLN 4 -2.554 -5.433 -0.483
30 HB3 GLN 4 1HB GLN 4 -3.228 -4.661 -1.910
31 HG2 GLN 4 2HG GLN 4 -1.072 -5.057 -3.069
32 HG3 GLN 4 1HG GLN 4 -0.508 -5.927 -1.646
33 HE21 GLN 4 1HE2 GLN 4 -3.267 -7.033 -1.210
34 HE22 GLN 4 2HE2 GLN 4 -3.417 -8.285 -2.381
35 H ASN 5 H ASN 5 -1.349 -2.585 1.343
36 HA ASN 5 HA ASN 5 -4.151 -1.834 1.854
37 HB2 ASN 5 2HB ASN 5 -2.024 -2.711 3.808
38 HB3 ASN 5 1HB ASN 5 -3.557 -2.000 4.298
39 HD21 ASN 5 1HD2 ASN 5 -5.448 -3.158 3.963
40 HD22 ASN 5 2HD2 ASN 5 -5.431 -4.857 3.668
41 H CYS 6 H CYS 6 -1.953 -0.271 0.594
42 HA CYS 6 HA CYS 6 -1.098 1.674 2.443
43 HB2 CYS 6 2HB CYS 6 -1.459 1.927 -0.547
44 HB3 CYS 6 1HB CYS 6 -0.534 3.015 0.473
45 HA PRO 7 HA PRO 7 -4.952 3.667 3.317
46 HB2 PRO 7 2HB PRO 7 -3.197 6.059 3.558
47 HB3 PRO 7 1HB PRO 7 -4.418 5.443 4.677
48 HG2 PRO 7 2HG PRO 7 -1.850 5.050 5.185
49 HG3 PRO 7 1HG PRO 7 -3.029 3.758 5.473
50 HD2 PRO 7 2HD PRO 7 -1.062 4.072 3.259
51 HD3 PRO 7 1HD PRO 7 -1.602 2.607 4.112
52 H LEU 8 H LEU 8 -6.066 3.734 1.483
53 HA LEU 8 HA LEU 8 -5.561 5.937 -0.370
54 HB2 LEU 8 2HB LEU 8 -5.813 3.584 -1.184
55 HB3 LEU 8 1HB LEU 8 -7.460 3.605 -0.615
56 HG LEU 8 HG LEU 8 -7.991 5.421 -2.213
57 HD11 LEU 8 1HD1 LEU 8 -5.796 6.419 -2.436
58 HD12 LEU 8 2HD1 LEU 8 -6.388 5.911 -4.018
59 HD13 LEU 8 3HD1 LEU 8 -5.178 4.944 -3.174
60 HD21 LEU 8 3HD2 LEU 8 -6.775 2.955 -3.449
61 HD22 LEU 8 1HD2 LEU 8 -7.953 4.020 -4.214
62 HD23 LEU 8 2HD2 LEU 8 -8.401 3.083 -2.789
63 H GLY 9 H GLY 9 -7.002 5.313 2.230
64 HA2 GLY 9 2HA GLY 9 -8.683 7.561 2.322
65 HA3 GLY 9 1HA GLY 9 -9.669 6.106 2.134
Start of MODEL 20
1 H1 CYS 1 1HT CYS 1 3.480 3.119 -0.931
2 H2 CYS 1 2HT CYS 1 2.857 1.723 -1.655
3 H3 CYS 1 3HT CYS 1 4.452 2.156 -1.919
4 HA CYS 1 HA CYS 1 5.040 1.737 0.316
5 HB2 CYS 1 2HB CYS 1 2.176 0.759 0.588
6 HB3 CYS 1 1HB CYS 1 3.424 0.696 1.819
7 H TYR 2 H TYR 2 5.089 -0.745 1.152
8 HA TYR 2 HA TYR 2 5.641 -2.213 -1.212
9 HB2 TYR 2 2HB TYR 2 7.108 -2.521 0.739
10 HB3 TYR 2 1HB TYR 2 5.753 -3.181 1.652
11 HD1 TYR 2 2HD TYR 2 7.660 -3.776 -1.508
12 HD2 TYR 2 1HD TYR 2 5.459 -5.499 1.703
13 HE1 TYR 2 2HE TYR 2 8.157 -6.008 -2.377
14 HE2 TYR 2 1HE TYR 2 5.947 -7.740 0.836
15 HH TYR 2 HH TYR 2 8.296 -8.329 -1.497
16 H ILE 3 H ILE 3 3.237 -2.293 1.088
17 HA ILE 3 HA ILE 3 1.822 -4.220 -0.534
18 HB ILE 3 HB ILE 3 0.434 -4.689 1.452
19 HG12 ILE 3 2HG1 ILE 3 2.545 -3.158 2.983
20 HG13 ILE 3 1HG1 ILE 3 0.879 -2.629 2.747
21 HG21 ILE 3 1HG2 ILE 3 3.379 -5.247 1.767
22 HG22 ILE 3 2HG2 ILE 3 2.228 -6.200 0.831
23 HG23 ILE 3 3HG2 ILE 3 2.093 -6.129 2.591
24 HD11 ILE 3 3HD1 ILE 3 1.767 -5.088 4.246
25 HD12 ILE 3 1HD1 ILE 3 0.102 -4.546 4.052
26 HD13 ILE 3 2HD1 ILE 3 1.250 -3.571 4.977
27 H GLN 4 H GLN 4 -0.205 -3.807 -0.995
28 HA GLN 4 HA GLN 4 -0.841 -0.989 -1.259
29 HB2 GLN 4 2HB GLN 4 -2.719 -1.744 -2.733
30 HB3 GLN 4 1HB GLN 4 -1.128 -2.271 -3.259
31 HG2 GLN 4 2HG GLN 4 -1.548 -4.478 -2.330
32 HG3 GLN 4 1HG GLN 4 -3.147 -3.955 -1.792
33 HE21 GLN 4 1HE2 GLN 4 -4.749 -3.688 -3.307
34 HE22 GLN 4 2HE2 GLN 4 -4.637 -4.273 -4.909
35 H ASN 5 H ASN 5 -1.268 -2.897 1.125
36 HA ASN 5 HA ASN 5 -3.986 -2.030 1.866
37 HB2 ASN 5 2HB ASN 5 -3.076 -4.473 2.162
38 HB3 ASN 5 1HB ASN 5 -2.163 -3.810 3.508
39 HD21 ASN 5 1HD2 ASN 5 -4.188 -5.845 3.556
40 HD22 ASN 5 2HD2 ASN 5 -5.453 -5.285 4.571
41 H CYS 6 H CYS 6 -1.468 -0.485 1.597
42 HA CYS 6 HA CYS 6 -0.765 0.393 4.263
43 HB2 CYS 6 2HB CYS 6 0.970 0.141 2.576
44 HB3 CYS 6 1HB CYS 6 0.125 1.225 1.495
45 HA PRO 7 HA PRO 7 -4.123 3.346 3.973
46 HB2 PRO 7 2HB PRO 7 -3.006 4.655 6.323
47 HB3 PRO 7 1HB PRO 7 -4.545 3.808 6.151
48 HG2 PRO 7 2HG PRO 7 -2.440 2.856 7.591
49 HG3 PRO 7 1HG PRO 7 -3.664 1.820 6.841
50 HD2 PRO 7 2HD PRO 7 -0.872 2.398 5.982
51 HD3 PRO 7 1HD PRO 7 -1.843 0.920 5.809
52 H LEU 8 H LEU 8 -3.577 4.582 2.210
53 HA LEU 8 HA LEU 8 -1.781 6.840 2.732
54 HB2 LEU 8 2HB LEU 8 -2.781 5.719 0.125
55 HB3 LEU 8 1HB LEU 8 -1.810 7.164 0.291
56 HG LEU 8 HG LEU 8 -0.935 4.360 1.031
57 HD11 LEU 8 1HD1 LEU 8 -1.148 4.630 -1.372
58 HD12 LEU 8 2HD1 LEU 8 0.548 4.526 -0.900
59 HD13 LEU 8 3HD1 LEU 8 -0.161 6.090 -1.305
60 HD21 LEU 8 3HD2 LEU 8 0.162 6.030 2.424
61 HD22 LEU 8 1HD2 LEU 8 0.601 6.957 0.988
62 HD23 LEU 8 2HD2 LEU 8 1.299 5.362 1.256
63 H GLY 9 H GLY 9 -4.696 6.066 2.902
64 HA2 GLY 9 2HA GLY 9 -6.108 8.050 3.696
65 HA3 GLY 9 1HA GLY 9 -5.853 8.641 2.053
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