Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570325 | 2mfy RC | 19578 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -8.222 1.826 -3.003
2 H2 GLY 1 2HT GLY 1 -7.366 2.215 -1.586
3 H3 GLY 1 3HT GLY 1 -8.382 0.857 -1.624
4 HA2 GLY 1 2HA GLY 1 -6.935 -0.123 -3.365
5 HA3 GLY 1 1HA GLY 1 -5.830 1.224 -3.093
6 H ABA 2 H ABA 2 -4.152 -0.043 -2.275
7 HA ABA 2 HA ABA 2 -4.440 -2.013 -0.266
8 HB3 ABA 2 1HB ABA 2 -1.849 -1.008 -0.009
9 HB2 ABA 2 2HB ABA 2 -2.264 -0.705 -1.696
10 HG1 ABA 2 HG ABA 2 -2.625 -3.450 -0.426
11 H CYS 3 H CYS 3 -5.258 1.091 0.101
12 HA CYS 3 HA CYS 3 -3.987 2.203 2.270
13 HB2 CYS 3 2HB CYS 3 -6.619 2.401 1.079
14 HB3 CYS 3 1HB CYS 3 -6.715 2.559 2.830
15 H SER 4 H SER 4 -6.190 -0.518 2.231
16 HA SER 4 HA SER 4 -5.805 -0.852 5.152
17 HB2 SER 4 2HB SER 4 -8.179 -0.873 3.572
18 HB3 SER 4 1HB SER 4 -7.931 -2.499 4.206
19 HG SER 4 HG SER 4 -8.316 -1.785 6.154
20 H ASP 5 H ASP 5 -4.149 -1.787 2.762
21 HA ASP 5 HA ASP 5 -3.970 -4.597 3.639
22 HB2 ASP 5 2HB ASP 5 -5.170 -4.657 1.518
23 HB3 ASP 5 1HB ASP 5 -3.941 -3.654 0.766
24 HA PRO 6 HA PRO 6 0.248 -3.033 3.850
25 HB2 PRO 6 2HB PRO 6 1.190 -4.900 5.566
26 HB3 PRO 6 1HB PRO 6 0.134 -3.578 6.102
27 HG2 PRO 6 2HG PRO 6 -0.518 -6.429 5.586
28 HG3 PRO 6 1HG PRO 6 -1.128 -5.340 6.838
29 HD2 PRO 6 2HD PRO 6 -2.493 -5.983 4.494
30 HD3 PRO 6 1HD PRO 6 -2.815 -4.552 5.498
31 H ARG 7 H ARG 7 -0.960 -5.858 2.442
32 HA ARG 7 HA ARG 7 1.609 -7.050 1.813
33 HB2 ARG 7 2HB ARG 7 -0.293 -8.525 2.140
34 HB3 ARG 7 1HB ARG 7 -1.177 -7.709 0.859
35 HG2 ARG 7 2HG ARG 7 -0.043 -9.900 0.218
36 HG3 ARG 7 1HG ARG 7 0.276 -8.519 -0.828
37 HD2 ARG 7 2HD ARG 7 2.255 -10.029 -0.006
38 HD3 ARG 7 1HD ARG 7 2.469 -8.284 -0.073
39 HE ARG 7 HE ARG 7 1.479 -9.145 2.486
40 HH11 ARG 7 1HH2 ARG 7 4.306 -8.915 0.537
41 HH12 ARG 7 2HH2 ARG 7 5.374 -8.799 1.891
42 HH21 ARG 7 1HH1 ARG 7 2.865 -8.985 4.204
43 HH22 ARG 7 2HH1 ARG 7 4.569 -8.841 3.941
44 H ABA 8 H ABA 8 -1.034 -5.741 -0.249
45 HA ABA 8 HA ABA 8 0.459 -5.665 -2.617
46 HB3 ABA 8 1HB ABA 8 -2.099 -5.039 -1.974
47 HB2 ABA 8 2HB ABA 8 -1.353 -4.610 -3.506
48 HG1 ABA 8 HG ABA 8 -0.743 -2.352 -2.482
49 H ASN 9 H ASN 9 0.263 -3.354 0.025
50 HA ASN 9 HA ASN 9 1.481 -1.115 -0.990
51 HB2 ASN 9 2HB ASN 9 0.757 -0.903 1.205
52 HB3 ASN 9 1HB ASN 9 1.477 -2.429 1.702
53 HD21 ASN 9 1HD2 ASN 9 3.920 -2.436 1.860
54 HD22 ASN 9 2HD2 ASN 9 4.700 -0.986 2.264
55 H TYR 10 H TYR 10 3.359 -0.779 -2.013
56 HA TYR 10 HA TYR 10 5.440 -2.765 -2.016
57 HB2 TYR 10 2HB TYR 10 6.168 -0.180 -3.167
58 HB3 TYR 10 1HB TYR 10 6.097 -1.761 -3.924
59 HD1 TYR 10 2HD TYR 10 3.359 -2.590 -3.831
60 HD2 TYR 10 1HD TYR 10 4.944 1.357 -4.387
61 HE1 TYR 10 2HE TYR 10 1.288 -1.931 -5.019
62 HE2 TYR 10 1HE TYR 10 2.867 2.015 -5.583
63 HH TYR 10 HH TYR 10 0.681 -0.160 -6.777
64 H ASP 11 H ASP 11 7.736 -1.193 -2.115
65 HA ASP 11 HA ASP 11 8.312 -0.894 0.660
66 HB2 ASP 11 2HB ASP 11 9.760 -0.755 -1.865
67 HB3 ASP 11 1HB ASP 11 10.317 0.460 -0.719
68 H HIS 12 H HIS 12 6.943 1.161 -1.666
69 HA HIS 12 HA HIS 12 6.417 3.227 0.219
70 HB2 HIS 12 2HB HIS 12 7.685 5.039 -1.066
71 HB3 HIS 12 1HB HIS 12 8.645 3.969 -0.055
72 HD2 HIS 12 2HD HIS 12 7.578 2.439 -3.430
73 HE1 HIS 12 1HE HIS 12 11.620 3.579 -3.812
74 HE2 HIS 12 2HE HIS 12 9.723 2.307 -4.918
75 HA PRO 13 HA PRO 13 3.717 3.025 -3.562
76 HB2 PRO 13 2HB PRO 13 1.366 2.544 -2.249
77 HB3 PRO 13 1HB PRO 13 2.472 1.259 -2.764
78 HG2 PRO 13 2HG PRO 13 2.067 2.437 -0.069
79 HG3 PRO 13 1HG PRO 13 2.416 0.766 -0.535
80 HD2 PRO 13 2HD PRO 13 4.311 2.523 0.457
81 HD3 PRO 13 1HD PRO 13 4.687 1.107 -0.548
82 H GLU 14 H GLU 14 2.210 4.178 -0.556
83 HA GLU 14 HA GLU 14 2.425 6.944 -1.081
84 HB2 GLU 14 2HB GLU 14 -0.137 7.223 -1.510
85 HB3 GLU 14 1HB GLU 14 0.922 6.833 -2.865
86 HG2 GLU 14 2HG GLU 14 -0.134 4.864 -3.215
87 HG3 GLU 14 1HG GLU 14 0.042 4.408 -1.524
88 H ILE 15 H ILE 15 1.358 8.225 0.536
89 HA ILE 15 HA ILE 15 1.068 6.831 3.042
90 HB ILE 15 HB ILE 15 0.534 9.745 2.412
91 HG12 ILE 15 2HG1 ILE 15 2.817 9.091 1.739
92 HG13 ILE 15 1HG1 ILE 15 2.866 10.100 3.184
93 HG21 ILE 15 1HG2 ILE 15 -0.106 9.789 4.578
94 HG22 ILE 15 2HG2 ILE 15 1.566 9.414 5.000
95 HG23 ILE 15 3HG2 ILE 15 0.387 8.115 4.817
96 HD11 ILE 15 3HD1 ILE 15 4.349 8.298 3.644
97 HD12 ILE 15 1HD1 ILE 15 3.221 7.103 2.997
98 HD13 ILE 15 2HD1 ILE 15 2.873 7.909 4.526
99 H CYS 16 H CYS 16 -0.846 5.841 1.340
100 HA CYS 16 HA CYS 16 -3.059 5.226 1.363
101 HB2 CYS 16 2HB CYS 16 -2.609 6.196 3.960
102 HB3 CYS 16 1HB CYS 16 -4.114 6.931 3.425
103 HN1 NH2 17 2H CYS 16 -5.065 7.565 -0.286
104 HN2 NH2 17 1H CYS 16 -4.773 5.940 0.097
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -5.224 3.575 -1.129
2 H2 GLY 1 2HT GLY 1 -6.353 3.805 -2.376
3 H3 GLY 1 3HT GLY 1 -4.694 3.925 -2.699
4 HA2 GLY 1 2HA GLY 1 -6.375 1.572 -2.480
5 HA3 GLY 1 1HA GLY 1 -4.903 1.815 -3.414
6 H ABA 2 H ABA 2 -5.237 -0.519 -2.060
7 HA ABA 2 HA ABA 2 -4.491 -1.873 -0.347
8 HB3 ABA 2 1HB ABA 2 -1.819 -0.783 -0.353
9 HB2 ABA 2 2HB ABA 2 -2.473 -0.863 -1.986
10 HG1 ABA 2 HG ABA 2 -2.625 -3.268 -0.126
11 H CYS 3 H CYS 3 -5.702 0.441 0.823
12 HA CYS 3 HA CYS 3 -3.975 1.454 2.907
13 HB2 CYS 3 2HB CYS 3 -6.596 2.042 1.900
14 HB3 CYS 3 1HB CYS 3 -6.701 1.789 3.641
15 H SER 4 H SER 4 -6.466 -1.023 2.635
16 HA SER 4 HA SER 4 -5.957 -1.851 5.423
17 HB2 SER 4 2HB SER 4 -8.200 -2.715 3.593
18 HB3 SER 4 1HB SER 4 -8.054 -3.041 5.319
19 HG SER 4 HG SER 4 -9.352 -1.099 4.461
20 H ASP 5 H ASP 5 -4.235 -2.455 3.009
21 HA ASP 5 HA ASP 5 -4.029 -5.341 3.514
22 HB2 ASP 5 2HB ASP 5 -5.390 -4.892 1.393
23 HB3 ASP 5 1HB ASP 5 -3.897 -4.288 0.685
24 HA PRO 6 HA PRO 6 0.042 -3.163 3.727
25 HB2 PRO 6 2HB PRO 6 0.604 -5.262 5.714
26 HB3 PRO 6 1HB PRO 6 0.713 -3.502 5.878
27 HG2 PRO 6 2HG PRO 6 -1.205 -4.965 7.084
28 HG3 PRO 6 1HG PRO 6 -1.453 -3.292 6.556
29 HD2 PRO 6 2HD PRO 6 -2.409 -5.830 5.287
30 HD3 PRO 6 1HD PRO 6 -3.199 -4.239 5.369
31 H ARG 7 H ARG 7 -1.125 -6.036 2.608
32 HA ARG 7 HA ARG 7 1.461 -7.298 2.093
33 HB2 ARG 7 2HB ARG 7 -0.281 -8.808 2.743
34 HB3 ARG 7 1HB ARG 7 -1.384 -8.160 1.541
35 HG2 ARG 7 2HG ARG 7 1.051 -8.980 0.239
36 HG3 ARG 7 1HG ARG 7 0.471 -10.297 1.248
37 HD2 ARG 7 2HD ARG 7 -0.412 -10.165 -1.156
38 HD3 ARG 7 1HD ARG 7 -1.589 -10.424 0.124
39 HE ARG 7 HE ARG 7 -1.612 -7.724 -0.108
40 HH11 ARG 7 1HH2 ARG 7 -1.709 -10.237 -2.456
41 HH12 ARG 7 2HH2 ARG 7 -2.694 -9.336 -3.550
42 HH21 ARG 7 1HH1 ARG 7 -2.927 -6.615 -1.488
43 HH22 ARG 7 2HH1 ARG 7 -3.354 -7.287 -3.025
44 H ABA 8 H ABA 8 -0.873 -5.287 0.480
45 HA ABA 8 HA ABA 8 0.285 -5.836 -2.161
46 HB3 ABA 8 1HB ABA 8 -2.257 -5.142 -1.343
47 HB2 ABA 8 2HB ABA 8 -1.661 -5.071 -2.993
48 HG1 ABA 8 HG ABA 8 -1.060 -2.651 -2.625
49 H ASN 9 H ASN 9 0.273 -3.377 0.321
50 HA ASN 9 HA ASN 9 1.300 -1.174 -0.999
51 HB2 ASN 9 2HB ASN 9 1.627 -0.317 1.089
52 HB3 ASN 9 1HB ASN 9 0.740 -1.751 1.588
53 HD21 ASN 9 1HD2 ASN 9 3.850 -0.178 1.698
54 HD22 ASN 9 2HD2 ASN 9 4.644 -1.395 2.571
55 H TYR 10 H TYR 10 3.223 -0.617 -1.891
56 HA TYR 10 HA TYR 10 5.312 -2.638 -2.011
57 HB2 TYR 10 2HB TYR 10 6.014 -0.243 -3.417
58 HB3 TYR 10 1HB TYR 10 5.641 -1.826 -4.069
59 HD1 TYR 10 2HD TYR 10 2.928 -2.363 -3.818
60 HD2 TYR 10 1HD TYR 10 4.777 1.483 -4.291
61 HE1 TYR 10 2HE TYR 10 0.811 -1.455 -4.752
62 HE2 TYR 10 1HE TYR 10 2.663 2.381 -5.228
63 HH TYR 10 HH TYR 10 0.216 1.821 -5.055
64 H ASP 11 H ASP 11 7.559 -1.144 -2.355
65 HA ASP 11 HA ASP 11 8.421 -0.625 0.279
66 HB2 ASP 11 2HB ASP 11 9.643 -1.064 -2.095
67 HB3 ASP 11 1HB ASP 11 9.859 0.675 -1.966
68 H HIS 12 H HIS 12 6.665 1.253 -1.901
69 HA HIS 12 HA HIS 12 6.482 3.505 -0.119
70 HB2 HIS 12 2HB HIS 12 7.356 5.065 -2.037
71 HB3 HIS 12 1HB HIS 12 8.503 4.284 -0.956
72 HD2 HIS 12 2HD HIS 12 6.903 2.121 -3.753
73 HE1 HIS 12 1HE HIS 12 10.932 2.803 -4.821
74 HE2 HIS 12 2HE HIS 12 8.827 1.501 -5.417
75 HA PRO 13 HA PRO 13 3.032 3.106 -3.137
76 HB2 PRO 13 2HB PRO 13 1.112 2.177 -1.455
77 HB3 PRO 13 1HB PRO 13 2.317 1.119 -2.212
78 HG2 PRO 13 2HG PRO 13 2.095 2.001 0.582
79 HG3 PRO 13 1HG PRO 13 2.924 0.593 -0.097
80 HD2 PRO 13 2HD PRO 13 4.084 3.115 0.699
81 HD3 PRO 13 1HD PRO 13 4.910 1.685 0.046
82 H GLU 14 H GLU 14 3.833 5.259 -0.911
83 HA GLU 14 HA GLU 14 3.096 7.359 -0.370
84 HB2 GLU 14 2HB GLU 14 2.284 7.391 -2.741
85 HB3 GLU 14 1HB GLU 14 0.719 6.814 -2.161
86 HG2 GLU 14 2HG GLU 14 0.198 8.818 -1.150
87 HG3 GLU 14 1HG GLU 14 1.875 9.177 -0.756
88 H ILE 15 H ILE 15 1.501 8.470 0.916
89 HA ILE 15 HA ILE 15 0.348 6.782 2.921
90 HB ILE 15 HB ILE 15 -0.098 9.751 2.506
91 HG12 ILE 15 2HG1 ILE 15 2.310 9.256 2.530
92 HG13 ILE 15 1HG1 ILE 15 1.838 10.030 4.040
93 HG21 ILE 15 1HG2 ILE 15 -1.341 9.551 4.367
94 HG22 ILE 15 2HG2 ILE 15 0.094 9.001 5.230
95 HG23 ILE 15 3HG2 ILE 15 -0.977 7.830 4.465
96 HD11 ILE 15 3HD1 ILE 15 1.572 7.664 4.991
97 HD12 ILE 15 1HD1 ILE 15 3.219 8.208 4.682
98 HD13 ILE 15 2HD1 ILE 15 2.431 7.108 3.554
99 H CYS 16 H CYS 16 -0.842 5.818 0.769
100 HA CYS 16 HA CYS 16 -2.868 5.337 -0.215
101 HB2 CYS 16 2HB CYS 16 -3.356 5.840 2.521
102 HB3 CYS 16 1HB CYS 16 -4.653 6.625 1.623
103 HN1 NH2 17 2H CYS 16 -2.891 8.936 -1.449
104 HN2 NH2 17 1H CYS 16 -1.619 7.977 -0.873
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -2.107 1.848 -3.535
2 H2 GLY 1 2HT GLY 1 -2.665 3.376 -4.032
3 H3 GLY 1 3HT GLY 1 -3.430 1.963 -4.590
4 HA2 GLY 1 2HA GLY 1 -3.974 3.465 -2.266
5 HA3 GLY 1 1HA GLY 1 -4.849 2.081 -2.909
6 H ABA 2 H ABA 2 -4.836 0.285 -1.722
7 HA ABA 2 HA ABA 2 -4.296 -1.296 -0.177
8 HB3 ABA 2 1HB ABA 2 -1.572 -0.668 0.354
9 HB2 ABA 2 2HB ABA 2 -1.855 -0.493 -1.368
10 HG1 ABA 2 HG ABA 2 -2.740 -3.008 0.103
11 H CYS 3 H CYS 3 -5.687 0.226 1.140
12 HA CYS 3 HA CYS 3 -4.203 1.571 3.307
13 HB2 CYS 3 2HB CYS 3 -6.672 2.076 1.970
14 HB3 CYS 3 1HB CYS 3 -7.026 1.756 3.666
15 H SER 4 H SER 4 -6.453 -1.030 2.668
16 HA SER 4 HA SER 4 -6.440 -1.835 5.501
17 HB2 SER 4 2HB SER 4 -8.210 -3.500 4.555
18 HB3 SER 4 1HB SER 4 -8.650 -1.805 4.760
19 HG SER 4 HG SER 4 -8.660 -1.534 2.644
20 H ASP 5 H ASP 5 -5.029 -2.673 2.472
21 HA ASP 5 HA ASP 5 -4.420 -5.393 3.424
22 HB2 ASP 5 2HB ASP 5 -5.388 -5.116 1.143
23 HB3 ASP 5 1HB ASP 5 -3.946 -4.217 0.682
24 HA PRO 6 HA PRO 6 -0.356 -3.688 4.349
25 HB2 PRO 6 2HB PRO 6 0.427 -5.670 6.014
26 HB3 PRO 6 1HB PRO 6 -0.755 -4.440 6.504
27 HG2 PRO 6 2HG PRO 6 -1.194 -7.259 5.673
28 HG3 PRO 6 1HG PRO 6 -2.032 -6.296 6.900
29 HD2 PRO 6 2HD PRO 6 -2.993 -6.789 4.322
30 HD3 PRO 6 1HD PRO 6 -3.548 -5.480 5.389
31 H ARG 7 H ARG 7 -1.238 -6.313 2.479
32 HA ARG 7 HA ARG 7 1.475 -7.345 2.056
33 HB2 ARG 7 2HB ARG 7 -1.038 -8.211 0.626
34 HB3 ARG 7 1HB ARG 7 0.455 -9.115 0.863
35 HG2 ARG 7 2HG ARG 7 -0.117 -8.774 3.429
36 HG3 ARG 7 1HG ARG 7 -1.758 -8.572 2.809
37 HD2 ARG 7 2HD ARG 7 -1.289 -10.933 3.389
38 HD3 ARG 7 1HD ARG 7 -1.621 -10.738 1.666
39 HE ARG 7 HE ARG 7 1.184 -10.531 2.176
40 HH11 ARG 7 1HH2 ARG 7 -1.405 -12.787 2.043
41 HH12 ARG 7 2HH2 ARG 7 -0.395 -14.102 1.553
42 HH21 ARG 7 1HH1 ARG 7 2.473 -12.222 1.549
43 HH22 ARG 7 2HH1 ARG 7 1.787 -13.784 1.270
44 H ABA 8 H ABA 8 -1.150 -5.762 0.259
45 HA ABA 8 HA ABA 8 0.116 -5.629 -2.246
46 HB3 ABA 8 1HB ABA 8 -2.317 -4.826 -1.147
47 HB2 ABA 8 2HB ABA 8 -1.816 -4.632 -2.822
48 HG1 ABA 8 HG ABA 8 -0.847 -2.361 -2.178
49 H ASN 9 H ASN 9 0.422 -3.667 0.618
50 HA ASN 9 HA ASN 9 1.463 -1.291 -0.108
51 HB2 ASN 9 2HB ASN 9 1.414 -1.689 2.190
52 HB3 ASN 9 1HB ASN 9 2.270 -3.219 2.049
53 HD21 ASN 9 1HD2 ASN 9 4.644 -2.890 1.128
54 HD22 ASN 9 2HD2 ASN 9 5.493 -1.570 1.767
55 H TYR 10 H TYR 10 3.001 -0.591 -1.451
56 HA TYR 10 HA TYR 10 4.996 -2.433 -2.478
57 HB2 TYR 10 2HB TYR 10 5.337 0.222 -3.492
58 HB3 TYR 10 1HB TYR 10 4.782 -1.209 -4.341
59 HD1 TYR 10 2HD TYR 10 2.224 -1.882 -3.449
60 HD2 TYR 10 1HD TYR 10 3.934 2.038 -3.724
61 HE1 TYR 10 2HE TYR 10 -0.051 -0.904 -3.569
62 HE2 TYR 10 1HE TYR 10 1.657 3.019 -3.857
63 HH TYR 10 HH TYR 10 -0.534 2.601 -3.461
64 H ASP 11 H ASP 11 7.139 -0.855 -3.004
65 HA ASP 11 HA ASP 11 8.382 -0.675 -0.417
66 HB2 ASP 11 2HB ASP 11 9.225 -0.917 -3.129
67 HB3 ASP 11 1HB ASP 11 10.019 0.496 -2.438
68 H HIS 12 H HIS 12 6.453 1.429 -2.082
69 HA HIS 12 HA HIS 12 7.057 3.611 -0.313
70 HB2 HIS 12 2HB HIS 12 7.572 5.239 -2.192
71 HB3 HIS 12 1HB HIS 12 8.848 4.089 -1.814
72 HD2 HIS 12 2HD HIS 12 6.219 2.279 -3.841
73 HE1 HIS 12 1HE HIS 12 9.046 3.680 -6.650
74 HE2 HIS 12 2HE HIS 12 7.056 2.128 -6.320
75 HA PRO 13 HA PRO 13 2.752 3.171 -2.129
76 HB2 PRO 13 2HB PRO 13 1.974 3.452 0.700
77 HB3 PRO 13 1HB PRO 13 1.457 2.252 -0.498
78 HG2 PRO 13 2HG PRO 13 3.124 1.650 1.529
79 HG3 PRO 13 1HG PRO 13 3.211 0.852 -0.049
80 HD2 PRO 13 2HD PRO 13 4.999 2.961 1.098
81 HD3 PRO 13 1HD PRO 13 5.395 1.615 0.006
82 H GLU 14 H GLU 14 0.995 4.705 -2.087
83 HA GLU 14 HA GLU 14 1.927 7.424 -1.892
84 HB2 GLU 14 2HB GLU 14 -0.185 7.978 -2.897
85 HB3 GLU 14 1HB GLU 14 0.431 6.524 -3.684
86 HG2 GLU 14 2HG GLU 14 -1.235 5.997 -1.307
87 HG3 GLU 14 1HG GLU 14 -2.088 6.767 -2.634
88 H ILE 15 H ILE 15 1.346 5.594 0.559
89 HA ILE 15 HA ILE 15 0.508 5.794 2.689
90 HB ILE 15 HB ILE 15 0.822 8.721 2.014
91 HG12 ILE 15 2HG1 ILE 15 2.885 7.436 1.647
92 HG13 ILE 15 1HG1 ILE 15 3.039 8.455 3.077
93 HG21 ILE 15 1HG2 ILE 15 1.379 8.451 4.661
94 HG22 ILE 15 2HG2 ILE 15 0.119 7.233 4.467
95 HG23 ILE 15 3HG2 ILE 15 -0.205 8.911 4.037
96 HD11 ILE 15 3HD1 ILE 15 2.164 6.332 4.351
97 HD12 ILE 15 1HD1 ILE 15 3.856 6.419 3.864
98 HD13 ILE 15 2HD1 ILE 15 2.712 5.475 2.910
99 H CYS 16 H CYS 16 -1.372 5.816 0.380
100 HA CYS 16 HA CYS 16 -3.638 5.862 0.038
101 HB2 CYS 16 2HB CYS 16 -3.304 5.568 2.828
102 HB3 CYS 16 1HB CYS 16 -4.624 6.697 2.574
103 HN1 NH2 17 2H CYS 16 -4.591 9.136 -0.640
104 HN2 NH2 17 1H CYS 16 -4.460 7.524 -1.150
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -5.784 3.094 -3.141
2 H2 GLY 1 2HT GLY 1 -4.734 1.781 -2.933
3 H3 GLY 1 3HT GLY 1 -4.694 3.085 -1.847
4 HA2 GLY 1 2HA GLY 1 -6.912 2.558 -1.070
5 HA3 GLY 1 1HA GLY 1 -6.981 1.219 -2.209
6 H ABA 2 H ABA 2 -3.947 0.956 -1.588
7 HA ABA 2 HA ABA 2 -4.174 -1.187 0.238
8 HB3 ABA 2 1HB ABA 2 -1.477 -0.404 0.198
9 HB2 ABA 2 2HB ABA 2 -2.111 0.019 -1.390
10 HG1 ABA 2 HG ABA 2 -2.333 -2.757 -0.149
11 H CYS 3 H CYS 3 -5.427 0.596 1.666
12 HA CYS 3 HA CYS 3 -3.566 1.770 3.634
13 HB2 CYS 3 2HB CYS 3 -6.165 2.481 2.657
14 HB3 CYS 3 1HB CYS 3 -6.271 2.186 4.392
15 H SER 4 H SER 4 -5.955 -0.691 3.164
16 HA SER 4 HA SER 4 -5.442 -1.760 5.886
17 HB2 SER 4 2HB SER 4 -7.649 -2.387 6.092
18 HB3 SER 4 1HB SER 4 -7.871 -0.980 5.053
19 HG SER 4 HG SER 4 -7.660 -3.717 4.270
20 H ASP 5 H ASP 5 -4.079 -2.099 3.214
21 HA ASP 5 HA ASP 5 -4.205 -5.047 3.086
22 HB2 ASP 5 2HB ASP 5 -5.395 -3.883 1.184
23 HB3 ASP 5 1HB ASP 5 -3.840 -3.228 0.703
24 HA PRO 6 HA PRO 6 0.177 -4.056 3.708
25 HB2 PRO 6 2HB PRO 6 0.814 -6.353 4.993
26 HB3 PRO 6 1HB PRO 6 -0.049 -5.029 5.798
27 HG2 PRO 6 2HG PRO 6 -1.093 -7.604 4.746
28 HG3 PRO 6 1HG PRO 6 -1.578 -6.687 6.182
29 HD2 PRO 6 2HD PRO 6 -2.936 -6.682 3.738
30 HD3 PRO 6 1HD PRO 6 -3.113 -5.458 5.014
31 H ARG 7 H ARG 7 -1.383 -6.100 1.642
32 HA ARG 7 HA ARG 7 1.014 -7.546 0.739
33 HB2 ARG 7 2HB ARG 7 -1.326 -8.598 1.004
34 HB3 ARG 7 1HB ARG 7 -1.726 -7.741 -0.481
35 HG2 ARG 7 2HG ARG 7 -0.094 -8.909 -1.742
36 HG3 ARG 7 1HG ARG 7 0.726 -9.494 -0.293
37 HD2 ARG 7 2HD ARG 7 -2.058 -10.288 -1.197
38 HD3 ARG 7 1HD ARG 7 -0.608 -11.289 -1.315
39 HE ARG 7 HE ARG 7 -1.188 -10.353 1.374
40 HH11 ARG 7 1HH2 ARG 7 -1.745 -12.779 -0.988
41 HH12 ARG 7 2HH2 ARG 7 -2.125 -13.995 0.175
42 HH21 ARG 7 1HH1 ARG 7 -1.678 -11.916 2.857
43 HH22 ARG 7 2HH1 ARG 7 -2.068 -13.515 2.341
44 H ABA 8 H ABA 8 -1.341 -5.160 -0.426
45 HA ABA 8 HA ABA 8 -0.108 -4.949 -3.027
46 HB3 ABA 8 1HB ABA 8 -2.573 -4.260 -1.962
47 HB2 ABA 8 2HB ABA 8 -1.982 -3.819 -3.560
48 HG1 ABA 8 HG ABA 8 -1.139 -1.658 -2.643
49 H ASN 9 H ASN 9 0.105 -3.220 0.028
50 HA ASN 9 HA ASN 9 1.397 -0.897 -0.842
51 HB2 ASN 9 2HB ASN 9 1.749 -0.445 1.383
52 HB3 ASN 9 1HB ASN 9 0.530 -1.704 1.544
53 HD21 ASN 9 1HD2 ASN 9 4.084 -1.202 1.594
54 HD22 ASN 9 2HD2 ASN 9 4.396 -2.543 2.582
55 H TYR 10 H TYR 10 3.409 -0.428 -1.513
56 HA TYR 10 HA TYR 10 5.305 -2.619 -1.805
57 HB2 TYR 10 2HB TYR 10 6.317 -0.163 -2.850
58 HB3 TYR 10 1HB TYR 10 5.811 -1.597 -3.727
59 HD1 TYR 10 1HD TYR 10 3.052 -1.850 -3.654
60 HD2 TYR 10 2HD TYR 10 5.308 1.798 -3.530
61 HE1 TYR 10 1HE TYR 10 1.090 -0.610 -4.538
62 HE2 TYR 10 2HE TYR 10 3.346 3.039 -4.416
63 HH TYR 10 HH TYR 10 0.985 1.870 -5.978
64 H ASP 11 H ASP 11 7.717 -1.441 -1.748
65 HA ASP 11 HA ASP 11 8.194 -1.088 1.065
66 HB2 ASP 11 2HB ASP 11 9.710 -1.756 -1.256
67 HB3 ASP 11 1HB ASP 11 10.483 -0.376 -0.482
68 H HIS 12 H HIS 12 7.088 0.980 -1.205
69 HA HIS 12 HA HIS 12 7.534 3.311 0.415
70 HB2 HIS 12 2HB HIS 12 8.619 4.611 -1.480
71 HB3 HIS 12 1HB HIS 12 9.651 3.425 -0.689
72 HD2 HIS 12 2HD HIS 12 7.330 1.559 -3.003
73 HE1 HIS 12 1HE HIS 12 10.797 2.334 -5.288
74 HE2 HIS 12 2HE HIS 12 8.630 1.005 -5.210
75 HA PRO 13 HA PRO 13 3.779 3.319 -2.251
76 HB2 PRO 13 2HB PRO 13 1.903 3.269 -0.300
77 HB3 PRO 13 1HB PRO 13 2.717 1.800 -0.873
78 HG2 PRO 13 2HG PRO 13 3.149 3.354 1.616
79 HG3 PRO 13 1HG PRO 13 3.285 1.611 1.331
80 HD2 PRO 13 2HD PRO 13 5.429 3.437 1.442
81 HD3 PRO 13 1HD PRO 13 5.508 1.776 0.813
82 H GLU 14 H GLU 14 1.744 4.824 -2.025
83 HA GLU 14 HA GLU 14 2.294 7.351 -0.665
84 HB2 GLU 14 2HB GLU 14 2.797 6.907 -3.484
85 HB3 GLU 14 1HB GLU 14 1.552 8.136 -3.260
86 HG2 GLU 14 2HG GLU 14 2.992 9.608 -2.249
87 HG3 GLU 14 1HG GLU 14 3.928 8.330 -1.478
88 H ILE 15 H ILE 15 0.458 8.559 -0.283
89 HA ILE 15 HA ILE 15 -1.765 8.904 0.159
90 HB ILE 15 HB ILE 15 -1.931 7.927 -2.683
91 HG12 ILE 15 2HG1 ILE 15 -0.511 9.981 -2.092
92 HG13 ILE 15 1HG1 ILE 15 -1.767 10.221 -3.303
93 HG21 ILE 15 1HG2 ILE 15 -3.971 8.959 -0.775
94 HG22 ILE 15 2HG2 ILE 15 -4.163 7.844 -2.128
95 HG23 ILE 15 3HG2 ILE 15 -4.040 9.577 -2.423
96 HD11 ILE 15 3HD1 ILE 15 -2.702 10.643 -0.545
97 HD12 ILE 15 1HD1 ILE 15 -2.932 11.644 -1.977
98 HD13 ILE 15 2HD1 ILE 15 -1.440 11.768 -1.046
99 H CYS 16 H CYS 16 -1.904 7.294 1.750
100 HA CYS 16 HA CYS 16 -3.047 5.604 2.812
101 HB2 CYS 16 2HB CYS 16 -4.613 6.120 0.525
102 HB3 CYS 16 1HB CYS 16 -4.450 4.372 0.634
103 HN1 NH2 17 2H CYS 16 -1.517 2.501 2.257
104 HN2 NH2 17 1H CYS 16 -2.397 3.499 3.308
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -7.402 2.354 -3.610
2 H2 GLY 1 2HT GLY 1 -7.033 2.780 -2.008
3 H3 GLY 1 3HT GLY 1 -7.717 1.268 -2.349
4 HA2 GLY 1 2HA GLY 1 -5.683 0.776 -3.731
5 HA3 GLY 1 1HA GLY 1 -4.977 2.207 -2.982
6 H ABA 2 H ABA 2 -3.402 0.603 -2.149
7 HA ABA 2 HA ABA 2 -4.190 -1.364 -0.228
8 HB3 ABA 2 1HB ABA 2 -1.541 -0.798 0.305
9 HB2 ABA 2 2HB ABA 2 -1.701 -0.325 -1.384
10 HG1 ABA 2 HG ABA 2 -2.529 -3.081 -0.359
11 H CYS 3 H CYS 3 -5.610 0.653 0.705
12 HA CYS 3 HA CYS 3 -4.206 2.345 2.566
13 HB2 CYS 3 2HB CYS 3 -7.003 1.890 1.777
14 HB3 CYS 3 1HB CYS 3 -6.790 2.335 3.469
15 H SER 4 H SER 4 -6.112 -0.639 2.897
16 HA SER 4 HA SER 4 -4.952 -0.958 5.611
17 HB2 SER 4 2HB SER 4 -7.342 -0.592 5.832
18 HB3 SER 4 1HB SER 4 -7.680 -1.820 4.610
19 HG SER 4 HG SER 4 -6.351 -3.214 6.149
20 H ASP 5 H ASP 5 -4.346 -1.925 2.700
21 HA ASP 5 HA ASP 5 -4.253 -4.814 3.269
22 HB2 ASP 5 2HB ASP 5 -4.484 -3.165 0.808
23 HB3 ASP 5 1HB ASP 5 -3.577 -4.664 0.686
24 HA PRO 6 HA PRO 6 0.119 -3.632 3.955
25 HB2 PRO 6 2HB PRO 6 0.716 -5.863 5.439
26 HB3 PRO 6 1HB PRO 6 -0.020 -4.400 6.118
27 HG2 PRO 6 2HG PRO 6 -1.300 -6.974 5.344
28 HG3 PRO 6 1HG PRO 6 -1.623 -5.922 6.733
29 HD2 PRO 6 2HD PRO 6 -3.210 -5.965 4.508
30 HD3 PRO 6 1HD PRO 6 -3.006 -4.521 5.522
31 H ARG 7 H ARG 7 -1.445 -6.097 2.317
32 HA ARG 7 HA ARG 7 0.826 -7.672 1.513
33 HB2 ARG 7 2HB ARG 7 -1.617 -8.420 1.589
34 HB3 ARG 7 1HB ARG 7 -1.838 -7.509 0.098
35 HG2 ARG 7 2HG ARG 7 -0.805 -9.092 -1.141
36 HG3 ARG 7 1HG ARG 7 0.530 -9.224 0.005
37 HD2 ARG 7 2HD ARG 7 -2.204 -10.465 0.402
38 HD3 ARG 7 1HD ARG 7 -0.787 -11.333 -0.190
39 HE ARG 7 HE ARG 7 -0.243 -9.996 2.294
40 HH11 ARG 7 1HH2 ARG 7 -1.884 -12.699 0.946
41 HH12 ARG 7 2HH2 ARG 7 -1.608 -13.714 2.318
42 HH21 ARG 7 1HH1 ARG 7 0.082 -11.280 4.063
43 HH22 ARG 7 2HH1 ARG 7 -0.495 -12.909 4.081
44 H ABA 8 H ABA 8 -1.322 -5.525 -0.382
45 HA ABA 8 HA ABA 8 0.374 -5.392 -2.638
46 HB3 ABA 8 1HB ABA 8 -2.188 -4.594 -2.078
47 HB2 ABA 8 2HB ABA 8 -1.297 -4.141 -3.529
48 HG1 ABA 8 HG ABA 8 -0.594 -2.019 -2.412
49 H ASN 9 H ASN 9 0.214 -3.491 0.304
50 HA ASN 9 HA ASN 9 1.486 -1.169 -0.171
51 HB2 ASN 9 2HB ASN 9 0.902 -1.730 2.065
52 HB3 ASN 9 1HB ASN 9 1.954 -3.141 2.065
53 HD21 ASN 9 1HD2 ASN 9 4.387 -2.501 1.596
54 HD22 ASN 9 2HD2 ASN 9 4.940 -1.130 2.429
55 H TYR 10 H TYR 10 3.129 -0.722 -1.517
56 HA TYR 10 HA TYR 10 5.259 -2.603 -1.999
57 HB2 TYR 10 2HB TYR 10 5.724 0.042 -3.095
58 HB3 TYR 10 1HB TYR 10 5.489 -1.486 -3.932
59 HD1 TYR 10 2HD TYR 10 2.999 -2.376 -3.977
60 HD2 TYR 10 1HD TYR 10 4.120 1.715 -3.329
61 HE1 TYR 10 2HE TYR 10 0.737 -1.649 -4.675
62 HE2 TYR 10 1HE TYR 10 1.851 2.444 -4.036
63 HH TYR 10 HH TYR 10 -0.125 0.854 -5.765
64 H ASP 11 H ASP 11 7.426 -0.967 -2.377
65 HA ASP 11 HA ASP 11 8.409 -0.687 0.312
66 HB2 ASP 11 2HB ASP 11 9.501 -0.921 -2.339
67 HB3 ASP 11 1HB ASP 11 10.242 0.449 -1.519
68 H HIS 12 H HIS 12 6.674 1.359 -1.681
69 HA HIS 12 HA HIS 12 7.063 3.606 0.080
70 HB2 HIS 12 2HB HIS 12 7.827 5.145 -1.797
71 HB3 HIS 12 1HB HIS 12 9.029 4.016 -1.182
72 HD2 HIS 12 2HD HIS 12 6.613 2.195 -3.469
73 HE1 HIS 12 1HE HIS 12 9.891 3.261 -5.897
74 HE2 HIS 12 2HE HIS 12 7.769 1.860 -5.783
75 HA PRO 13 HA PRO 13 3.056 3.360 -2.367
76 HB2 PRO 13 2HB PRO 13 1.404 3.057 -0.193
77 HB3 PRO 13 1HB PRO 13 2.085 1.700 -1.111
78 HG2 PRO 13 2HG PRO 13 2.951 2.856 1.487
79 HG3 PRO 13 1HG PRO 13 2.913 1.166 0.959
80 HD2 PRO 13 2HD PRO 13 5.214 2.653 1.038
81 HD3 PRO 13 1HD PRO 13 4.965 1.310 -0.099
82 H GLU 14 H GLU 14 1.620 5.094 -2.592
83 HA GLU 14 HA GLU 14 2.440 7.594 -1.509
84 HB2 GLU 14 2HB GLU 14 0.836 6.714 -3.631
85 HB3 GLU 14 1HB GLU 14 -0.254 7.631 -2.594
86 HG2 GLU 14 2HG GLU 14 0.851 9.108 -4.242
87 HG3 GLU 14 1HG GLU 14 1.312 9.533 -2.599
88 H ILE 15 H ILE 15 2.035 6.068 0.678
89 HA ILE 15 HA ILE 15 0.761 5.724 2.606
90 HB ILE 15 HB ILE 15 0.577 8.716 2.306
91 HG12 ILE 15 2HG1 ILE 15 2.879 7.618 1.858
92 HG13 ILE 15 1HG1 ILE 15 2.806 8.898 3.064
93 HG21 ILE 15 1HG2 ILE 15 0.536 6.792 4.631
94 HG22 ILE 15 2HG2 ILE 15 -0.615 8.072 4.247
95 HG23 ILE 15 3HG2 ILE 15 0.990 8.481 4.851
96 HD11 ILE 15 3HD1 ILE 15 2.559 5.967 3.782
97 HD12 ILE 15 1HD1 ILE 15 2.834 7.326 4.872
98 HD13 ILE 15 2HD1 ILE 15 4.103 6.817 3.758
99 H CYS 16 H CYS 16 -1.044 4.674 1.487
100 HA CYS 16 HA CYS 16 -3.318 4.307 1.379
101 HB2 CYS 16 2HB CYS 16 -3.046 6.383 3.294
102 HB3 CYS 16 1HB CYS 16 -4.388 6.810 2.242
103 HN1 NH2 17 2H CYS 16 -5.055 6.747 -0.885
104 HN2 NH2 17 1H CYS 16 -5.411 6.147 0.661
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -2.996 3.250 -2.375
2 H2 GLY 1 2HT GLY 1 -4.203 3.828 -3.418
3 H3 GLY 1 3HT GLY 1 -3.115 2.638 -3.948
4 HA2 GLY 1 2HA GLY 1 -5.481 2.389 -2.258
5 HA3 GLY 1 1HA GLY 1 -4.839 1.268 -3.455
6 H ABA 2 H ABA 2 -4.901 -0.518 -2.066
7 HA ABA 2 HA ABA 2 -4.320 -1.909 -0.342
8 HB3 ABA 2 1HB ABA 2 -1.559 -1.102 -0.191
9 HB2 ABA 2 2HB ABA 2 -2.096 -1.136 -1.864
10 HG1 ABA 2 HG ABA 2 -2.492 -3.492 0.025
11 H CYS 3 H CYS 3 -5.409 0.480 0.639
12 HA CYS 3 HA CYS 3 -3.793 1.595 2.735
13 HB2 CYS 3 2HB CYS 3 -6.263 2.201 1.566
14 HB3 CYS 3 1HB CYS 3 -6.644 1.790 3.235
15 H SER 4 H SER 4 -6.304 -0.887 2.573
16 HA SER 4 HA SER 4 -5.988 -1.495 5.426
17 HB2 SER 4 2HB SER 4 -7.824 -3.260 4.668
18 HB3 SER 4 1HB SER 4 -8.232 -1.574 4.975
19 HG SER 4 HG SER 4 -8.984 -2.452 2.914
20 H ASP 5 H ASP 5 -4.927 -2.694 2.360
21 HA ASP 5 HA ASP 5 -4.261 -5.320 3.486
22 HB2 ASP 5 2HB ASP 5 -5.341 -5.189 1.261
23 HB3 ASP 5 1HB ASP 5 -3.953 -4.297 0.657
24 HA PRO 6 HA PRO 6 -0.146 -3.556 4.102
25 HB2 PRO 6 2HB PRO 6 0.643 -5.324 6.006
26 HB3 PRO 6 1HB PRO 6 -0.460 -3.980 6.357
27 HG2 PRO 6 2HG PRO 6 -1.043 -6.862 6.007
28 HG3 PRO 6 1HG PRO 6 -1.821 -5.666 7.055
29 HD2 PRO 6 2HD PRO 6 -2.819 -6.568 4.590
30 HD3 PRO 6 1HD PRO 6 -3.352 -5.115 5.457
31 H ARG 7 H ARG 7 -1.169 -6.340 2.614
32 HA ARG 7 HA ARG 7 1.496 -7.520 2.253
33 HB2 ARG 7 2HB ARG 7 -0.881 -8.610 0.846
34 HB3 ARG 7 1HB ARG 7 0.437 -9.458 1.619
35 HG2 ARG 7 2HG ARG 7 -1.701 -7.954 3.149
36 HG3 ARG 7 1HG ARG 7 -1.807 -9.671 2.775
37 HD2 ARG 7 2HD ARG 7 -0.084 -8.268 4.726
38 HD3 ARG 7 1HD ARG 7 -0.763 -9.890 4.778
39 HE ARG 7 HE ARG 7 1.791 -9.115 3.617
40 HH11 ARG 7 1HH2 ARG 7 -0.696 -11.476 3.819
41 HH12 ARG 7 2HH2 ARG 7 0.330 -12.775 3.314
42 HH21 ARG 7 1HH1 ARG 7 3.098 -10.787 2.989
43 HH22 ARG 7 2HH1 ARG 7 2.458 -12.390 2.869
44 H ABA 8 H ABA 8 -1.152 -6.088 0.358
45 HA ABA 8 HA ABA 8 0.107 -6.290 -2.174
46 HB3 ABA 8 1HB ABA 8 -2.362 -5.433 -1.197
47 HB2 ABA 8 2HB ABA 8 -1.846 -5.415 -2.878
48 HG1 ABA 8 HG ABA 8 -1.008 -3.054 -2.550
49 H ASN 9 H ASN 9 0.419 -4.108 0.470
50 HA ASN 9 HA ASN 9 1.368 -1.767 -0.545
51 HB2 ASN 9 2HB ASN 9 1.222 -1.917 1.800
52 HB3 ASN 9 1HB ASN 9 2.230 -3.363 1.860
53 HD21 ASN 9 1HD2 ASN 9 4.353 -2.968 2.456
54 HD22 ASN 9 2HD2 ASN 9 5.156 -1.485 2.274
55 H TYR 10 H TYR 10 3.134 -1.017 -1.551
56 HA TYR 10 HA TYR 10 5.087 -2.937 -2.550
57 HB2 TYR 10 2HB TYR 10 5.424 -0.182 -3.434
58 HB3 TYR 10 1HB TYR 10 5.116 -1.632 -4.382
59 HD1 TYR 10 1HD TYR 10 2.658 -2.600 -4.206
60 HD2 TYR 10 2HD TYR 10 3.756 1.457 -3.312
61 HE1 TYR 10 1HE TYR 10 0.303 -1.891 -4.521
62 HE2 TYR 10 2HE TYR 10 1.397 2.159 -3.632
63 HH TYR 10 HH TYR 10 -0.780 1.290 -3.654
64 H ASP 11 H ASP 11 7.140 -0.932 -2.985
65 HA ASP 11 HA ASP 11 8.277 -0.903 -0.280
66 HB2 ASP 11 2HB ASP 11 9.316 -1.403 -2.878
67 HB3 ASP 11 1HB ASP 11 10.114 0.039 -2.257
68 H HIS 12 H HIS 12 6.494 1.113 -2.103
69 HA HIS 12 HA HIS 12 7.078 3.415 -0.523
70 HB2 HIS 12 2HB HIS 12 7.782 4.880 -2.470
71 HB3 HIS 12 1HB HIS 12 8.989 3.721 -1.931
72 HD2 HIS 12 2HD HIS 12 6.428 1.845 -3.973
73 HE1 HIS 12 1HE HIS 12 9.441 2.963 -6.711
74 HE2 HIS 12 2HE HIS 12 7.383 1.513 -6.384
75 HA PRO 13 HA PRO 13 2.938 3.248 -2.544
76 HB2 PRO 13 2HB PRO 13 1.414 3.328 -0.301
77 HB3 PRO 13 1HB PRO 13 2.161 1.827 -0.879
78 HG2 PRO 13 2HG PRO 13 3.056 3.656 1.303
79 HG3 PRO 13 1HG PRO 13 3.026 1.887 1.254
80 HD2 PRO 13 2HD PRO 13 5.296 3.390 0.796
81 HD3 PRO 13 1HD PRO 13 5.048 1.749 0.154
82 H GLU 14 H GLU 14 1.721 4.899 0.135
83 HA GLU 14 HA GLU 14 2.636 7.543 -0.294
84 HB2 GLU 14 2HB GLU 14 1.149 6.822 -2.417
85 HB3 GLU 14 1HB GLU 14 -0.149 7.333 -1.340
86 HG2 GLU 14 2HG GLU 14 0.345 9.386 -2.268
87 HG3 GLU 14 1HG GLU 14 1.523 9.408 -0.963
88 H ILE 15 H ILE 15 0.427 9.020 0.387
89 HA ILE 15 HA ILE 15 -0.015 8.167 3.135
90 HB ILE 15 HB ILE 15 -0.865 10.687 1.682
91 HG12 ILE 15 2HG1 ILE 15 1.021 11.522 3.360
92 HG13 ILE 15 1HG1 ILE 15 1.585 9.860 3.200
93 HG21 ILE 15 1HG2 ILE 15 -1.309 9.635 4.414
94 HG22 ILE 15 2HG2 ILE 15 -2.229 10.830 3.502
95 HG23 ILE 15 3HG2 ILE 15 -0.747 11.302 4.332
96 HD11 ILE 15 3HD1 ILE 15 2.239 10.156 1.037
97 HD12 ILE 15 1HD1 ILE 15 2.264 11.864 1.478
98 HD13 ILE 15 2HD1 ILE 15 0.861 11.186 0.655
99 H CYS 16 H CYS 16 -1.474 7.439 0.346
100 HA CYS 16 HA CYS 16 -3.462 6.354 -0.127
101 HB2 CYS 16 2HB CYS 16 -3.308 6.208 2.693
102 HB3 CYS 16 1HB CYS 16 -4.943 6.722 2.304
103 HN1 NH2 17 2H CYS 16 -5.957 8.701 -0.841
104 HN2 NH2 17 1H CYS 16 -5.297 7.169 -1.151
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -8.373 -2.732 -2.759
2 H2 GLY 1 2HT GLY 1 -9.466 -1.707 -3.553
3 H3 GLY 1 3HT GLY 1 -9.624 -1.987 -1.888
4 HA2 GLY 1 2HA GLY 1 -7.652 -0.333 -3.315
5 HA3 GLY 1 1HA GLY 1 -8.625 0.076 -1.906
6 H ABA 2 H ABA 2 -5.652 -1.126 -3.001
7 HA ABA 2 HA ABA 2 -4.849 -2.521 -0.618
8 HB3 ABA 2 1HB ABA 2 -2.598 -1.590 -2.144
9 HB2 ABA 2 2HB ABA 2 -3.839 -2.181 -3.244
10 HG1 ABA 2 HG ABA 2 -3.860 -4.250 -1.471
11 H CYS 3 H CYS 3 -5.240 0.735 -1.284
12 HA CYS 3 HA CYS 3 -3.142 2.140 -0.279
13 HB2 CYS 3 2HB CYS 3 -5.971 2.557 -0.463
14 HB3 CYS 3 1HB CYS 3 -5.399 3.193 1.077
15 H SER 4 H SER 4 -5.331 0.117 1.573
16 HA SER 4 HA SER 4 -3.723 0.672 4.003
17 HB2 SER 4 2HB SER 4 -6.066 1.434 4.168
18 HB3 SER 4 1HB SER 4 -6.613 -0.209 3.844
19 HG SER 4 HG SER 4 -5.071 -0.683 5.726
20 H ASP 5 H ASP 5 -3.695 -1.563 1.730
21 HA ASP 5 HA ASP 5 -3.925 -3.914 3.480
22 HB2 ASP 5 2HB ASP 5 -4.810 -3.687 1.012
23 HB3 ASP 5 1HB ASP 5 -3.151 -4.084 0.593
24 HA PRO 6 HA PRO 6 0.539 -3.429 4.006
25 HB2 PRO 6 2HB PRO 6 0.770 -5.243 6.034
26 HB3 PRO 6 1HB PRO 6 0.172 -3.589 6.275
27 HG2 PRO 6 2HG PRO 6 -1.353 -6.136 6.034
28 HG3 PRO 6 1HG PRO 6 -1.622 -4.758 7.114
29 HD2 PRO 6 2HD PRO 6 -3.076 -5.176 4.829
30 HD3 PRO 6 1HD PRO 6 -2.785 -3.566 5.517
31 H ARG 7 H ARG 7 -1.273 -6.017 2.854
32 HA ARG 7 HA ARG 7 1.059 -7.780 2.477
33 HB2 ARG 7 2HB ARG 7 -0.567 -9.445 1.747
34 HB3 ARG 7 1HB ARG 7 -1.049 -8.787 3.304
35 HG2 ARG 7 2HG ARG 7 -3.034 -8.242 2.416
36 HG3 ARG 7 1HG ARG 7 -2.206 -7.098 1.360
37 HD2 ARG 7 2HD ARG 7 -2.710 -10.026 0.773
38 HD3 ARG 7 1HD ARG 7 -3.539 -8.656 0.046
39 HE ARG 7 HE ARG 7 -0.615 -8.793 -0.265
40 HH11 ARG 7 1HH2 ARG 7 -3.761 -9.172 -1.619
41 HH12 ARG 7 2HH2 ARG 7 -3.192 -9.127 -3.251
42 HH21 ARG 7 1HH1 ARG 7 0.096 -8.745 -2.357
43 HH22 ARG 7 2HH1 ARG 7 -1.030 -8.866 -3.666
44 H ABA 8 H ABA 8 -0.626 -5.339 0.863
45 HA ABA 8 HA ABA 8 0.404 -6.281 -1.744
46 HB3 ABA 8 1HB ABA 8 -2.258 -5.775 -1.032
47 HB2 ABA 8 2HB ABA 8 -1.619 -5.990 -2.652
48 HG1 ABA 8 HG ABA 8 -1.169 -3.422 -2.639
49 H ASN 9 H ASN 9 -0.007 -3.587 0.459
50 HA ASN 9 HA ASN 9 0.739 -1.398 -1.031
51 HB2 ASN 9 2HB ASN 9 1.485 -0.392 1.001
52 HB3 ASN 9 1HB ASN 9 0.185 -1.493 1.448
53 HD21 ASN 9 1HD2 ASN 9 3.251 -0.582 2.378
54 HD22 ASN 9 2HD2 ASN 9 3.725 -2.010 3.160
55 H TYR 10 H TYR 10 2.671 -0.477 -1.730
56 HA TYR 10 HA TYR 10 4.848 -2.350 -2.141
57 HB2 TYR 10 2HB TYR 10 5.305 0.313 -3.191
58 HB3 TYR 10 1HB TYR 10 5.190 -1.221 -4.042
59 HD1 TYR 10 2HD TYR 10 2.646 -2.218 -3.980
60 HD2 TYR 10 1HD TYR 10 3.767 1.919 -3.815
61 HE1 TYR 10 2HE TYR 10 0.409 -1.579 -4.849
62 HE2 TYR 10 1HE TYR 10 1.529 2.558 -4.686
63 HH TYR 10 HH TYR 10 -0.343 0.918 -6.275
64 H ASP 11 H ASP 11 7.036 -0.879 -2.307
65 HA ASP 11 HA ASP 11 7.840 -0.531 0.410
66 HB2 ASP 11 2HB ASP 11 9.074 -0.751 -2.174
67 HB3 ASP 11 1HB ASP 11 9.753 0.633 -1.324
68 H HIS 12 H HIS 12 6.188 1.492 -1.630
69 HA HIS 12 HA HIS 12 6.473 3.754 0.126
70 HB2 HIS 12 2HB HIS 12 7.285 5.301 -1.701
71 HB3 HIS 12 1HB HIS 12 8.486 4.151 -1.119
72 HD2 HIS 12 2HD HIS 12 6.135 2.289 -3.402
73 HE1 HIS 12 1HE HIS 12 9.261 3.624 -5.899
74 HE2 HIS 12 2HE HIS 12 7.236 2.095 -5.762
75 HA PRO 13 HA PRO 13 2.523 3.452 -2.279
76 HB2 PRO 13 2HB PRO 13 0.841 3.261 -0.151
77 HB3 PRO 13 1HB PRO 13 1.678 1.855 -0.836
78 HG2 PRO 13 2HG PRO 13 2.301 3.424 1.612
79 HG3 PRO 13 1HG PRO 13 2.429 1.682 1.321
80 HD2 PRO 13 2HD PRO 13 4.577 3.441 1.254
81 HD3 PRO 13 1HD PRO 13 4.545 1.857 0.448
82 H GLU 14 H GLU 14 4.131 5.797 -1.044
83 HA GLU 14 HA GLU 14 3.856 8.069 -0.754
84 HB2 GLU 14 2HB GLU 14 1.473 7.263 -2.375
85 HB3 GLU 14 1HB GLU 14 1.557 8.910 -1.749
86 HG2 GLU 14 2HG GLU 14 3.607 9.338 -2.899
87 HG3 GLU 14 1HG GLU 14 3.838 7.634 -3.277
88 H ILE 15 H ILE 15 2.722 6.020 1.203
89 HA ILE 15 HA ILE 15 1.534 5.949 3.161
90 HB ILE 15 HB ILE 15 2.196 8.885 3.000
91 HG12 ILE 15 2HG1 ILE 15 4.108 7.274 3.069
92 HG13 ILE 15 1HG1 ILE 15 4.026 8.297 4.502
93 HG21 ILE 15 1HG2 ILE 15 0.453 8.830 4.575
94 HG22 ILE 15 2HG2 ILE 15 1.891 8.631 5.576
95 HG23 ILE 15 3HG2 ILE 15 0.909 7.228 5.155
96 HD11 ILE 15 3HD1 ILE 15 2.535 6.288 5.417
97 HD12 ILE 15 1HD1 ILE 15 4.293 6.234 5.511
98 HD13 ILE 15 2HD1 ILE 15 3.453 5.377 4.220
99 H CYS 16 H CYS 16 -0.389 5.288 2.296
100 HA CYS 16 HA CYS 16 -2.384 6.953 1.185
101 HB2 CYS 16 2HB CYS 16 -2.349 4.226 2.394
102 HB3 CYS 16 1HB CYS 16 -3.887 4.971 1.958
103 HN1 NH2 17 2H CYS 16 -4.482 7.972 3.874
104 HN2 NH2 17 1H CYS 16 -4.431 7.663 2.209
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -7.905 0.772 -2.634
2 H2 GLY 1 2HT GLY 1 -7.684 1.923 -3.862
3 H3 GLY 1 3HT GLY 1 -7.324 2.321 -2.254
4 HA2 GLY 1 2HA GLY 1 -5.872 0.412 -4.004
5 HA3 GLY 1 1HA GLY 1 -5.269 1.931 -3.347
6 H ABA 2 H ABA 2 -3.535 0.408 -2.536
7 HA ABA 2 HA ABA 2 -4.127 -1.476 -0.468
8 HB3 ABA 2 1HB ABA 2 -1.505 -0.786 -0.043
9 HB2 ABA 2 2HB ABA 2 -1.717 -0.323 -1.728
10 HG1 ABA 2 HG ABA 2 -2.751 -3.048 -1.050
11 H CYS 3 H CYS 3 -5.633 0.379 0.482
12 HA CYS 3 HA CYS 3 -4.170 2.157 2.295
13 HB2 CYS 3 2HB CYS 3 -6.895 2.004 1.230
14 HB3 CYS 3 1HB CYS 3 -6.844 2.374 2.952
15 H SER 4 H SER 4 -6.255 -0.679 2.439
16 HA SER 4 HA SER 4 -5.579 -0.974 5.309
17 HB2 SER 4 2HB SER 4 -8.029 -0.523 4.663
18 HB3 SER 4 1HB SER 4 -8.025 -2.161 4.011
19 HG SER 4 HG SER 4 -8.539 -1.606 6.423
20 H ASP 5 H ASP 5 -4.517 -2.073 2.539
21 HA ASP 5 HA ASP 5 -4.341 -4.880 3.453
22 HB2 ASP 5 2HB ASP 5 -5.158 -3.774 0.886
23 HB3 ASP 5 1HB ASP 5 -3.825 -4.904 0.722
24 HA PRO 6 HA PRO 6 -0.083 -3.056 3.543
25 HB2 PRO 6 2HB PRO 6 0.245 -5.298 5.464
26 HB3 PRO 6 1HB PRO 6 0.674 -3.587 5.645
27 HG2 PRO 6 2HG PRO 6 -1.407 -4.661 6.931
28 HG3 PRO 6 1HG PRO 6 -1.426 -2.992 6.336
29 HD2 PRO 6 2HD PRO 6 -2.783 -5.412 5.201
30 HD3 PRO 6 1HD PRO 6 -3.335 -3.723 5.247
31 H ARG 7 H ARG 7 -1.514 -5.985 2.664
32 HA ARG 7 HA ARG 7 0.670 -7.671 2.119
33 HB2 ARG 7 2HB ARG 7 -1.974 -7.983 1.919
34 HB3 ARG 7 1HB ARG 7 -1.637 -7.623 0.226
35 HG2 ARG 7 2HG ARG 7 -0.551 -9.601 -0.113
36 HG3 ARG 7 1HG ARG 7 0.226 -9.557 1.470
37 HD2 ARG 7 2HD ARG 7 -2.688 -10.242 0.989
38 HD3 ARG 7 1HD ARG 7 -1.407 -11.420 1.277
39 HE ARG 7 HE ARG 7 -1.456 -9.469 3.364
40 HH11 ARG 7 1HH2 ARG 7 -3.114 -12.215 2.136
41 HH12 ARG 7 2HH2 ARG 7 -3.758 -12.668 3.673
42 HH21 ARG 7 1HH1 ARG 7 -2.282 -10.066 5.343
43 HH22 ARG 7 2HH1 ARG 7 -3.291 -11.466 5.469
44 H ABA 8 H ABA 8 -0.883 -5.195 0.115
45 HA ABA 8 HA ABA 8 0.930 -5.588 -2.103
46 HB3 ABA 8 1HB ABA 8 -1.577 -4.713 -2.015
47 HB2 ABA 8 2HB ABA 8 -0.450 -4.196 -3.257
48 HG1 ABA 8 HG ABA 8 0.060 -2.152 -1.737
49 H ASN 9 H ASN 9 1.339 -4.158 0.816
50 HA ASN 9 HA ASN 9 2.427 -1.668 0.515
51 HB2 ASN 9 2HB ASN 9 2.270 -2.750 2.688
52 HB3 ASN 9 1HB ASN 9 3.495 -3.924 2.226
53 HD21 ASN 9 1HD2 ASN 9 5.704 -2.939 1.666
54 HD22 ASN 9 2HD2 ASN 9 6.185 -1.563 2.535
55 H TYR 10 H TYR 10 3.468 -1.321 -1.457
56 HA TYR 10 HA TYR 10 5.731 -2.895 -2.288
57 HB2 TYR 10 2HB TYR 10 4.847 -0.210 -3.357
58 HB3 TYR 10 1HB TYR 10 5.794 -1.442 -4.179
59 HD1 TYR 10 2HD TYR 10 4.670 -3.792 -4.447
60 HD2 TYR 10 1HD TYR 10 2.525 -0.160 -3.645
61 HE1 TYR 10 2HE TYR 10 2.583 -4.832 -5.297
62 HE2 TYR 10 1HE TYR 10 0.444 -1.200 -4.494
63 HH TYR 10 HH TYR 10 -0.419 -2.963 -5.564
64 H ASP 11 H ASP 11 7.328 -0.738 -3.292
65 HA ASP 11 HA ASP 11 8.960 -0.229 -0.982
66 HB2 ASP 11 2HB ASP 11 9.176 0.033 -3.896
67 HB3 ASP 11 1HB ASP 11 10.002 1.309 -3.007
68 H HIS 12 H HIS 12 6.326 1.303 -2.317
69 HA HIS 12 HA HIS 12 6.535 3.573 -0.553
70 HB2 HIS 12 2HB HIS 12 6.389 5.270 -2.387
71 HB3 HIS 12 1HB HIS 12 7.936 4.431 -2.335
72 HD2 HIS 12 2HD HIS 12 5.660 1.956 -3.901
73 HE1 HIS 12 1HE HIS 12 6.986 4.289 -7.156
74 HE2 HIS 12 2HE HIS 12 5.832 2.117 -6.501
75 HA PRO 13 HA PRO 13 2.307 1.965 -1.766
76 HB2 PRO 13 2HB PRO 13 1.823 2.180 1.140
77 HB3 PRO 13 1HB PRO 13 1.548 0.810 0.045
78 HG2 PRO 13 2HG PRO 13 3.535 0.857 1.871
79 HG3 PRO 13 1HG PRO 13 3.654 -0.012 0.333
80 HD2 PRO 13 2HD PRO 13 4.910 2.578 1.137
81 HD3 PRO 13 1HD PRO 13 5.525 1.310 0.050
82 H GLU 14 H GLU 14 3.620 4.724 -0.295
83 HA GLU 14 HA GLU 14 2.950 6.918 -0.313
84 HB2 GLU 14 2HB GLU 14 1.737 6.068 -2.460
85 HB3 GLU 14 1HB GLU 14 0.285 6.161 -1.464
86 HG2 GLU 14 2HG GLU 14 1.981 8.540 -1.199
87 HG3 GLU 14 1HG GLU 14 1.432 8.284 -2.851
88 H ILE 15 H ILE 15 1.483 8.377 0.774
89 HA ILE 15 HA ILE 15 0.556 7.277 3.275
90 HB ILE 15 HB ILE 15 0.336 10.101 2.207
91 HG12 ILE 15 2HG1 ILE 15 2.335 10.271 3.946
92 HG13 ILE 15 1HG1 ILE 15 2.537 8.565 3.550
93 HG21 ILE 15 1HG2 ILE 15 -0.550 8.789 4.648
94 HG22 ILE 15 2HG2 ILE 15 -0.860 10.433 4.092
95 HG23 ILE 15 3HG2 ILE 15 0.607 10.072 5.001
96 HD11 ILE 15 3HD1 ILE 15 3.245 9.006 1.425
97 HD12 ILE 15 1HD1 ILE 15 3.660 10.577 2.109
98 HD13 ILE 15 2HD1 ILE 15 2.145 10.371 1.232
99 H CYS 16 H CYS 16 -0.933 6.010 1.476
100 HA CYS 16 HA CYS 16 -3.070 5.597 0.686
101 HB2 CYS 16 2HB CYS 16 -3.225 6.511 3.452
102 HB3 CYS 16 1HB CYS 16 -4.728 6.716 2.566
103 HN1 NH2 17 2H CYS 16 -3.290 9.156 -0.639
104 HN2 NH2 17 1H CYS 16 -1.953 8.170 -0.294
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -5.102 1.800 -3.610
2 H2 GLY 1 2HT GLY 1 -6.276 2.622 -4.518
3 H3 GLY 1 3HT GLY 1 -5.992 0.974 -4.794
4 HA2 GLY 1 2HA GLY 1 -7.539 2.278 -2.708
5 HA3 GLY 1 1HA GLY 1 -7.811 0.731 -3.498
6 H ABA 2 H ABA 2 -4.801 0.237 -2.929
7 HA ABA 2 HA ABA 2 -5.101 -1.423 -0.681
8 HB3 ABA 2 1HB ABA 2 -2.348 -0.602 -1.005
9 HB2 ABA 2 2HB ABA 2 -3.083 -0.841 -2.584
10 HG1 ABA 2 HG ABA 2 -3.888 -3.121 -1.084
11 H CYS 3 H CYS 3 -6.209 0.233 0.718
12 HA CYS 3 HA CYS 3 -4.453 2.177 2.034
13 HB2 CYS 3 2HB CYS 3 -7.210 2.014 1.546
14 HB3 CYS 3 1HB CYS 3 -7.038 1.822 3.288
15 H SER 4 H SER 4 -6.319 -0.720 2.879
16 HA SER 4 HA SER 4 -4.787 -0.909 5.411
17 HB2 SER 4 2HB SER 4 -7.556 -1.831 4.660
18 HB3 SER 4 1HB SER 4 -6.714 -2.469 6.069
19 HG SER 4 HG SER 4 -6.459 -0.264 6.758
20 H ASP 5 H ASP 5 -3.830 -1.837 2.812
21 HA ASP 5 HA ASP 5 -3.753 -4.747 3.339
22 HB2 ASP 5 2HB ASP 5 -4.447 -3.348 0.975
23 HB3 ASP 5 1HB ASP 5 -2.905 -4.131 0.683
24 HA PRO 6 HA PRO 6 0.511 -3.220 4.094
25 HB2 PRO 6 2HB PRO 6 1.110 -5.223 5.893
26 HB3 PRO 6 1HB PRO 6 0.359 -3.679 6.340
27 HG2 PRO 6 2HG PRO 6 -0.883 -6.350 5.961
28 HG3 PRO 6 1HG PRO 6 -1.270 -5.075 7.127
29 HD2 PRO 6 2HD PRO 6 -2.760 -5.549 4.872
30 HD3 PRO 6 1HD PRO 6 -2.645 -3.954 5.644
31 H ARG 7 H ARG 7 -0.920 -5.881 2.686
32 HA ARG 7 HA ARG 7 1.626 -7.211 2.017
33 HB2 ARG 7 2HB ARG 7 -1.249 -8.061 1.595
34 HB3 ARG 7 1HB ARG 7 0.153 -8.989 1.077
35 HG2 ARG 7 2HG ARG 7 0.950 -8.903 3.501
36 HG3 ARG 7 1HG ARG 7 -0.649 -8.276 3.907
37 HD2 ARG 7 2HD ARG 7 -0.946 -10.570 4.213
38 HD3 ARG 7 1HD ARG 7 -1.515 -10.351 2.556
39 HE ARG 7 HE ARG 7 1.176 -10.884 2.295
40 HH11 ARG 7 1HH2 ARG 7 -1.523 -12.430 3.782
41 HH12 ARG 7 2HH2 ARG 7 -0.892 -14.025 3.565
42 HH21 ARG 7 1HH1 ARG 7 1.986 -12.952 2.034
43 HH22 ARG 7 2HH1 ARG 7 1.085 -14.317 2.593
44 H ABA 8 H ABA 8 -0.884 -5.210 0.658
45 HA ABA 8 HA ABA 8 0.007 -5.706 -2.087
46 HB3 ABA 8 1HB ABA 8 -2.451 -4.956 -0.953
47 HB2 ABA 8 2HB ABA 8 -2.064 -5.056 -2.663
48 HG1 ABA 8 HG ABA 8 -1.198 -2.576 -2.402
49 H ASN 9 H ASN 9 0.149 -3.195 0.382
50 HA ASN 9 HA ASN 9 1.022 -1.027 -1.097
51 HB2 ASN 9 2HB ASN 9 1.821 -0.103 0.909
52 HB3 ASN 9 1HB ASN 9 0.571 -1.215 1.440
53 HD21 ASN 9 1HD2 ASN 9 4.138 -1.224 0.837
54 HD22 ASN 9 2HD2 ASN 9 4.479 -2.241 2.150
55 H TYR 10 H TYR 10 2.963 -0.325 -1.942
56 HA TYR 10 HA TYR 10 4.875 -2.395 -2.552
57 HB2 TYR 10 2HB TYR 10 5.733 0.217 -3.398
58 HB3 TYR 10 1HB TYR 10 5.230 -1.153 -4.379
59 HD1 TYR 10 2HD TYR 10 2.538 -1.589 -4.249
60 HD2 TYR 10 1HD TYR 10 4.533 2.164 -3.637
61 HE1 TYR 10 2HE TYR 10 0.446 -0.380 -4.825
62 HE2 TYR 10 1HE TYR 10 2.435 3.367 -4.211
63 HH TYR 10 HH TYR 10 0.394 3.013 -5.395
64 H ASP 11 H ASP 11 7.265 -1.210 -2.648
65 HA ASP 11 HA ASP 11 8.112 -1.250 0.077
66 HB2 ASP 11 2HB ASP 11 9.312 -1.402 -2.521
67 HB3 ASP 11 1HB ASP 11 10.168 -0.194 -1.569
68 H HIS 12 H HIS 12 6.776 1.171 -1.768
69 HA HIS 12 HA HIS 12 7.299 3.162 0.240
70 HB2 HIS 12 2HB HIS 12 8.386 4.802 -1.261
71 HB3 HIS 12 1HB HIS 12 9.388 3.382 -0.999
72 HD2 HIS 12 2HD HIS 12 6.906 2.201 -3.492
73 HE1 HIS 12 1HE HIS 12 9.902 4.039 -5.832
74 HE2 HIS 12 2HE HIS 12 7.865 2.524 -5.913
75 HA PRO 13 HA PRO 13 3.372 3.506 -2.190
76 HB2 PRO 13 2HB PRO 13 2.001 3.425 0.383
77 HB3 PRO 13 1HB PRO 13 1.865 2.307 -0.985
78 HG2 PRO 13 2HG PRO 13 3.016 1.657 1.399
79 HG3 PRO 13 1HG PRO 13 3.423 0.886 -0.141
80 HD2 PRO 13 2HD PRO 13 4.929 2.991 1.370
81 HD3 PRO 13 1HD PRO 13 5.549 1.617 0.423
82 H GLU 14 H GLU 14 1.492 5.093 -1.750
83 HA GLU 14 HA GLU 14 2.647 7.627 -0.762
84 HB2 GLU 14 2HB GLU 14 2.002 7.513 -3.174
85 HB3 GLU 14 1HB GLU 14 0.333 7.225 -2.675
86 HG2 GLU 14 2HG GLU 14 0.267 9.366 -1.502
87 HG3 GLU 14 1HG GLU 14 1.969 9.647 -1.860
88 H ILE 15 H ILE 15 2.086 7.258 1.423
89 HA ILE 15 HA ILE 15 0.644 6.969 3.252
90 HB ILE 15 HB ILE 15 -0.563 9.384 1.918
91 HG12 ILE 15 2HG1 ILE 15 1.899 9.512 1.837
92 HG13 ILE 15 1HG1 ILE 15 1.246 10.673 2.992
93 HG21 ILE 15 1HG2 ILE 15 -0.690 10.140 4.327
94 HG22 ILE 15 2HG2 ILE 15 -0.196 8.515 4.797
95 HG23 ILE 15 3HG2 ILE 15 -1.721 8.763 3.945
96 HD11 ILE 15 3HD1 ILE 15 2.718 8.106 3.522
97 HD12 ILE 15 1HD1 ILE 15 1.593 8.732 4.728
98 HD13 ILE 15 2HD1 ILE 15 2.977 9.702 4.227
99 H CYS 16 H CYS 16 -0.386 4.979 2.297
100 HA CYS 16 HA CYS 16 -2.339 3.736 2.196
101 HB2 CYS 16 2HB CYS 16 -3.203 6.093 3.383
102 HB3 CYS 16 1HB CYS 16 -4.274 5.901 1.998
103 HN1 NH2 17 2H CYS 16 -2.539 5.630 -1.361
104 HN2 NH2 17 1H CYS 16 -1.654 6.291 -0.072
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -8.910 1.353 -1.078
2 H2 GLY 1 2HT GLY 1 -8.436 0.036 -0.114
3 H3 GLY 1 3HT GLY 1 -9.319 -0.227 -1.536
4 HA2 GLY 1 2HA GLY 1 -7.480 -0.331 -2.749
5 HA3 GLY 1 1HA GLY 1 -6.975 1.243 -2.135
6 H ABA 2 H ABA 2 -5.135 -0.832 -2.605
7 HA ABA 2 HA ABA 2 -4.502 -2.525 -0.522
8 HB3 ABA 2 1HB ABA 2 -2.078 -1.292 -1.502
9 HB2 ABA 2 2HB ABA 2 -3.195 -1.589 -2.835
10 HG1 ABA 2 HG ABA 2 -2.882 -3.864 -0.914
11 H CYS 3 H CYS 3 -4.473 0.893 -0.502
12 HA CYS 3 HA CYS 3 -2.553 1.640 1.319
13 HB2 CYS 3 2HB CYS 3 -5.131 2.639 0.472
14 HB3 CYS 3 1HB CYS 3 -4.897 2.928 2.193
15 H SER 4 H SER 4 -5.436 -0.228 1.843
16 HA SER 4 HA SER 4 -5.042 -0.256 4.760
17 HB2 SER 4 2HB SER 4 -7.299 -1.389 3.098
18 HB3 SER 4 1HB SER 4 -7.245 -1.304 4.858
19 HG SER 4 HG SER 4 -7.746 0.742 4.761
20 H ASP 5 H ASP 5 -3.643 -1.940 2.383
21 HA ASP 5 HA ASP 5 -3.695 -4.438 3.965
22 HB2 ASP 5 2HB ASP 5 -4.931 -4.396 1.608
23 HB3 ASP 5 1HB ASP 5 -3.291 -4.632 1.017
24 HA PRO 6 HA PRO 6 0.718 -3.781 3.770
25 HB2 PRO 6 2HB PRO 6 1.446 -5.861 5.338
26 HB3 PRO 6 1HB PRO 6 0.663 -4.411 6.001
27 HG2 PRO 6 2HG PRO 6 -0.506 -7.081 5.391
28 HG3 PRO 6 1HG PRO 6 -0.807 -6.004 6.765
29 HD2 PRO 6 2HD PRO 6 -2.478 -6.209 4.569
30 HD3 PRO 6 1HD PRO 6 -2.389 -4.782 5.626
31 H ARG 7 H ARG 7 -1.030 -6.424 2.487
32 HA ARG 7 HA ARG 7 1.197 -8.021 1.607
33 HB2 ARG 7 2HB ARG 7 -0.926 -9.110 1.930
34 HB3 ARG 7 1HB ARG 7 -1.719 -7.993 0.832
35 HG2 ARG 7 2HG ARG 7 -1.226 -10.217 -0.203
36 HG3 ARG 7 1HG ARG 7 -0.513 -8.856 -1.064
37 HD2 ARG 7 2HD ARG 7 0.963 -10.921 -0.611
38 HD3 ARG 7 1HD ARG 7 1.651 -9.334 -0.287
39 HE ARG 7 HE ARG 7 0.352 -10.489 2.020
40 HH11 ARG 7 1HH2 ARG 7 3.219 -10.428 0.130
41 HH12 ARG 7 2HH2 ARG 7 4.246 -10.906 1.436
42 HH21 ARG 7 1HH1 ARG 7 1.676 -11.101 3.704
43 HH22 ARG 7 2HH1 ARG 7 3.379 -11.264 3.450
44 H ABA 8 H ABA 8 -1.167 -6.062 -0.236
45 HA ABA 8 HA ABA 8 0.519 -6.095 -2.576
46 HB3 ABA 8 1HB ABA 8 -2.199 -5.709 -2.059
47 HB2 ABA 8 2HB ABA 8 -1.404 -5.567 -3.612
48 HG1 ABA 8 HG ABA 8 -1.043 -3.100 -3.130
49 H ASN 9 H ASN 9 -0.037 -3.967 0.110
50 HA ASN 9 HA ASN 9 0.815 -1.497 -0.787
51 HB2 ASN 9 2HB ASN 9 0.149 -1.417 1.416
52 HB3 ASN 9 1HB ASN 9 0.921 -2.944 1.814
53 HD21 ASN 9 1HD2 ASN 9 3.482 -2.764 1.641
54 HD22 ASN 9 2HD2 ASN 9 4.146 -1.351 2.308
55 H TYR 10 H TYR 10 2.687 -0.707 -1.584
56 HA TYR 10 HA TYR 10 4.986 -2.457 -1.786
57 HB2 TYR 10 2HB TYR 10 5.388 0.239 -2.794
58 HB3 TYR 10 1HB TYR 10 5.428 -1.293 -3.652
59 HD1 TYR 10 2HD TYR 10 3.027 -2.437 -3.961
60 HD2 TYR 10 1HD TYR 10 3.734 1.752 -3.367
61 HE1 TYR 10 2HE TYR 10 0.820 -1.923 -4.973
62 HE2 TYR 10 1HE TYR 10 1.516 2.267 -4.384
63 HH TYR 10 HH TYR 10 -0.158 0.223 -6.233
64 H ASP 11 H ASP 11 7.101 -0.823 -1.777
65 HA ASP 11 HA ASP 11 7.768 -0.568 0.943
66 HB2 ASP 11 2HB ASP 11 9.025 0.004 -1.643
67 HB3 ASP 11 1HB ASP 11 9.547 1.087 -0.357
68 H HIS 12 H HIS 12 6.059 1.531 -1.128
69 HA HIS 12 HA HIS 12 5.554 3.424 0.964
70 HB2 HIS 12 2HB HIS 12 6.598 5.365 -0.430
71 HB3 HIS 12 1HB HIS 12 7.651 4.372 0.573
72 HD2 HIS 12 2HD HIS 12 6.432 2.994 -2.856
73 HE1 HIS 12 1HE HIS 12 10.576 3.740 -3.154
74 HE2 HIS 12 2HE HIS 12 8.567 2.716 -4.341
75 HA PRO 13 HA PRO 13 2.480 3.283 -2.532
76 HB2 PRO 13 2HB PRO 13 0.269 3.077 -0.906
77 HB3 PRO 13 1HB PRO 13 1.176 1.683 -1.519
78 HG2 PRO 13 2HG PRO 13 1.291 2.987 1.155
79 HG3 PRO 13 1HG PRO 13 1.357 1.270 0.727
80 HD2 PRO 13 2HD PRO 13 3.585 2.709 1.372
81 HD3 PRO 13 1HD PRO 13 3.621 1.333 0.244
82 H GLU 14 H GLU 14 3.754 5.587 -1.767
83 HA GLU 14 HA GLU 14 3.523 7.863 -1.451
84 HB2 GLU 14 2HB GLU 14 2.174 7.276 -3.579
85 HB3 GLU 14 1HB GLU 14 0.749 7.549 -2.578
86 HG2 GLU 14 2HG GLU 14 1.168 9.669 -3.557
87 HG3 GLU 14 1HG GLU 14 1.855 9.802 -1.941
88 H ILE 15 H ILE 15 2.665 6.134 0.741
89 HA ILE 15 HA ILE 15 1.340 6.107 2.652
90 HB ILE 15 HB ILE 15 2.124 9.021 2.505
91 HG12 ILE 15 2HG1 ILE 15 4.060 7.549 2.125
92 HG13 ILE 15 1HG1 ILE 15 4.156 8.288 3.721
93 HG21 ILE 15 1HG2 ILE 15 1.118 9.132 4.522
94 HG22 ILE 15 2HG2 ILE 15 2.301 7.972 5.124
95 HG23 ILE 15 3HG2 ILE 15 0.759 7.406 4.481
96 HD11 ILE 15 3HD1 ILE 15 4.617 6.070 4.243
97 HD12 ILE 15 1HD1 ILE 15 3.548 5.443 2.988
98 HD13 ILE 15 2HD1 ILE 15 2.869 6.106 4.474
99 H CYS 16 H CYS 16 -0.342 6.244 0.451
100 HA CYS 16 HA CYS 16 -2.503 6.754 -0.161
101 HB2 CYS 16 2HB CYS 16 -2.449 6.476 2.665
102 HB3 CYS 16 1HB CYS 16 -3.532 7.813 2.284
103 HN1 NH2 17 2H CYS 16 -1.347 10.466 -0.015
104 HN2 NH2 17 1H CYS 16 -0.368 9.094 0.194
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -8.219 1.947 -1.112
2 H2 GLY 1 2HT GLY 1 -7.937 1.070 -2.539
3 H3 GLY 1 3HT GLY 1 -8.110 2.758 -2.598
4 HA2 GLY 1 2HA GLY 1 -5.771 1.996 -2.794
5 HA3 GLY 1 1HA GLY 1 -6.064 3.104 -1.453
6 H ABA 2 H ABA 2 -3.974 1.047 -1.738
7 HA ABA 2 HA ABA 2 -4.536 -1.238 -0.168
8 HB3 ABA 2 1HB ABA 2 -1.777 -0.447 0.083
9 HB2 ABA 2 2HB ABA 2 -2.324 -0.182 -1.571
10 HG1 ABA 2 HG ABA 2 -2.904 -2.840 -0.224
11 H CYS 3 H CYS 3 -5.784 0.554 1.320
12 HA CYS 3 HA CYS 3 -4.053 1.431 3.525
13 HB2 CYS 3 2HB CYS 3 -6.641 2.194 2.470
14 HB3 CYS 3 1HB CYS 3 -6.736 1.884 4.201
15 H SER 4 H SER 4 -6.509 -0.949 2.776
16 HA SER 4 HA SER 4 -6.502 -1.973 5.531
17 HB2 SER 4 2HB SER 4 -8.290 -3.530 4.475
18 HB3 SER 4 1HB SER 4 -8.698 -1.838 4.747
19 HG SER 4 HG SER 4 -8.924 -1.631 2.669
20 H ASP 5 H ASP 5 -4.726 -2.477 2.762
21 HA ASP 5 HA ASP 5 -4.205 -5.294 3.503
22 HB2 ASP 5 2HB ASP 5 -5.330 -5.035 1.291
23 HB3 ASP 5 1HB ASP 5 -3.942 -4.101 0.741
24 HA PRO 6 HA PRO 6 -0.069 -3.651 4.010
25 HB2 PRO 6 2HB PRO 6 0.895 -5.673 5.493
26 HB3 PRO 6 1HB PRO 6 -0.332 -4.561 6.137
27 HG2 PRO 6 2HG PRO 6 -0.630 -7.351 5.173
28 HG3 PRO 6 1HG PRO 6 -1.500 -6.498 6.457
29 HD2 PRO 6 2HD PRO 6 -2.411 -6.917 3.797
30 HD3 PRO 6 1HD PRO 6 -3.147 -5.856 5.020
31 H ARG 7 H ARG 7 -1.033 -6.212 2.048
32 HA ARG 7 HA ARG 7 1.690 -7.092 1.404
33 HB2 ARG 7 2HB ARG 7 -0.091 -8.793 1.612
34 HB3 ARG 7 1HB ARG 7 -0.953 -8.039 0.284
35 HG2 ARG 7 2HG ARG 7 0.244 -9.282 -1.152
36 HG3 ARG 7 1HG ARG 7 1.678 -8.388 -0.653
37 HD2 ARG 7 2HD ARG 7 0.710 -11.074 0.236
38 HD3 ARG 7 1HD ARG 7 2.343 -10.539 -0.144
39 HE ARG 7 HE ARG 7 1.058 -10.414 2.431
40 HH11 ARG 7 1HH2 ARG 7 3.382 -8.915 0.382
41 HH12 ARG 7 2HH2 ARG 7 4.276 -8.235 1.696
42 HH21 ARG 7 1HH1 ARG 7 2.211 -9.526 4.101
43 HH22 ARG 7 2HH1 ARG 7 3.614 -8.570 3.778
44 H ABA 8 H ABA 8 -1.040 -5.413 -0.111
45 HA ABA 8 HA ABA 8 0.139 -5.177 -2.678
46 HB3 ABA 8 1HB ABA 8 -2.309 -4.543 -1.544
47 HB2 ABA 8 2HB ABA 8 -1.821 -4.199 -3.199
48 HG1 ABA 8 HG ABA 8 -0.929 -1.936 -2.327
49 H ASN 9 H ASN 9 0.281 -3.117 0.202
50 HA ASN 9 HA ASN 9 1.450 -0.837 -0.818
51 HB2 ASN 9 2HB ASN 9 1.813 -0.271 1.350
52 HB3 ASN 9 1HB ASN 9 0.903 -1.733 1.696
53 HD21 ASN 9 1HD2 ASN 9 4.338 -0.838 0.959
54 HD22 ASN 9 2HD2 ASN 9 4.986 -1.900 2.108
55 H TYR 10 H TYR 10 3.312 -0.364 -1.817
56 HA TYR 10 HA TYR 10 5.195 -2.488 -2.320
57 HB2 TYR 10 2HB TYR 10 6.129 0.003 -3.336
58 HB3 TYR 10 1HB TYR 10 5.502 -1.378 -4.217
59 HD1 TYR 10 2HD TYR 10 2.819 -1.616 -4.068
60 HD2 TYR 10 1HD TYR 10 5.040 2.027 -3.580
61 HE1 TYR 10 2HE TYR 10 0.799 -0.303 -4.665
62 HE2 TYR 10 1HE TYR 10 3.015 3.339 -4.179
63 HH TYR 10 HH TYR 10 0.946 3.143 -5.213
64 H ASP 11 H ASP 11 7.570 -1.381 -2.547
65 HA ASP 11 HA ASP 11 8.632 -1.366 0.059
66 HB2 ASP 11 2HB ASP 11 9.695 -0.693 -2.665
67 HB3 ASP 11 1HB ASP 11 10.685 -0.435 -1.239
68 H HIS 12 H HIS 12 7.022 1.033 -1.583
69 HA HIS 12 HA HIS 12 7.491 2.991 0.452
70 HB2 HIS 12 2HB HIS 12 8.417 4.727 -1.121
71 HB3 HIS 12 1HB HIS 12 9.537 3.419 -0.749
72 HD2 HIS 12 2HD HIS 12 7.217 1.861 -3.169
73 HE1 HIS 12 1HE HIS 12 10.086 3.763 -5.618
74 HE2 HIS 12 2HE HIS 12 8.204 2.050 -5.588
75 HA PRO 13 HA PRO 13 3.495 3.135 -1.872
76 HB2 PRO 13 2HB PRO 13 2.359 3.651 0.798
77 HB3 PRO 13 1HB PRO 13 1.932 2.398 -0.381
78 HG2 PRO 13 2HG PRO 13 3.237 1.873 1.932
79 HG3 PRO 13 1HG PRO 13 3.436 0.909 0.460
80 HD2 PRO 13 2HD PRO 13 5.286 2.944 1.636
81 HD3 PRO 13 1HD PRO 13 5.664 1.462 0.730
82 H GLU 14 H GLU 14 1.687 4.927 -1.540
83 HA GLU 14 HA GLU 14 2.923 7.483 -0.740
84 HB2 GLU 14 2HB GLU 14 1.710 6.778 -3.404
85 HB3 GLU 14 1HB GLU 14 1.838 8.451 -2.852
86 HG2 GLU 14 2HG GLU 14 4.373 7.418 -2.346
87 HG3 GLU 14 1HG GLU 14 3.929 6.654 -3.868
88 H ILE 15 H ILE 15 1.643 8.365 0.724
89 HA ILE 15 HA ILE 15 -0.274 8.548 2.078
90 HB ILE 15 HB ILE 15 -1.268 9.828 -0.459
91 HG12 ILE 15 2HG1 ILE 15 1.096 10.409 -0.271
92 HG13 ILE 15 1HG1 ILE 15 0.121 11.798 0.201
93 HG21 ILE 15 1HG2 ILE 15 -2.661 9.826 1.655
94 HG22 ILE 15 2HG2 ILE 15 -2.242 11.433 1.062
95 HG23 ILE 15 3HG2 ILE 15 -1.368 10.740 2.428
96 HD11 ILE 15 3HD1 ILE 15 1.736 9.950 1.936
97 HD12 ILE 15 1HD1 ILE 15 0.356 10.809 2.618
98 HD13 ILE 15 2HD1 ILE 15 1.702 11.713 1.922
99 H CYS 16 H CYS 16 -0.447 5.979 1.262
100 HA CYS 16 HA CYS 16 -1.871 4.226 0.818
101 HB2 CYS 16 2HB CYS 16 -3.150 6.006 2.584
102 HB3 CYS 16 1HB CYS 16 -4.379 5.502 1.425
103 HN1 NH2 17 2H CYS 16 -2.893 6.069 -2.427
104 HN2 NH2 17 1H CYS 16 -1.609 6.450 -1.380
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -8.991 -0.159 -2.764
2 H2 GLY 1 2HT GLY 1 -9.394 1.033 -1.627
3 H3 GLY 1 3HT GLY 1 -8.871 -0.497 -1.109
4 HA2 GLY 1 2HA GLY 1 -6.990 0.785 -2.856
5 HA3 GLY 1 1HA GLY 1 -7.303 1.699 -1.381
6 H ABA 2 H ABA 2 -4.926 0.063 -2.292
7 HA ABA 2 HA ABA 2 -4.817 -2.224 -0.535
8 HB3 ABA 2 1HB ABA 2 -2.239 -1.212 -1.477
9 HB2 ABA 2 2HB ABA 2 -3.408 -1.397 -2.780
10 HG1 ABA 2 HG ABA 2 -3.721 -3.811 -1.428
11 H CYS 3 H CYS 3 -4.585 1.037 0.079
12 HA CYS 3 HA CYS 3 -2.428 1.484 1.709
13 HB2 CYS 3 2HB CYS 3 -5.188 2.503 1.603
14 HB3 CYS 3 1HB CYS 3 -4.382 2.705 3.158
15 H SER 4 H SER 4 -5.318 -0.353 2.497
16 HA SER 4 HA SER 4 -4.214 -0.947 5.170
17 HB2 SER 4 2HB SER 4 -6.997 -1.505 4.126
18 HB3 SER 4 1HB SER 4 -6.442 -1.653 5.791
19 HG SER 4 HG SER 4 -5.831 0.693 5.457
20 H ASP 5 H ASP 5 -3.528 -2.183 2.410
21 HA ASP 5 HA ASP 5 -3.921 -4.997 3.255
22 HB2 ASP 5 2HB ASP 5 -5.115 -4.066 1.103
23 HB3 ASP 5 1HB ASP 5 -3.527 -4.276 0.379
24 HA PRO 6 HA PRO 6 0.629 -4.097 3.356
25 HB2 PRO 6 2HB PRO 6 0.452 -6.459 5.159
26 HB3 PRO 6 1HB PRO 6 1.275 -4.906 5.410
27 HG2 PRO 6 2HG PRO 6 -0.991 -5.504 6.685
28 HG3 PRO 6 1HG PRO 6 -0.635 -3.855 6.137
29 HD2 PRO 6 2HD PRO 6 -2.513 -5.870 4.955
30 HD3 PRO 6 1HD PRO 6 -2.668 -4.103 5.053
31 H ARG 7 H ARG 7 -1.378 -6.548 2.256
32 HA ARG 7 HA ARG 7 0.722 -8.400 1.436
33 HB2 ARG 7 2HB ARG 7 -1.839 -8.816 0.132
34 HB3 ARG 7 1HB ARG 7 -0.948 -9.882 1.211
35 HG2 ARG 7 2HG ARG 7 -1.805 -8.337 3.108
36 HG3 ARG 7 1HG ARG 7 -2.965 -7.755 1.915
37 HD2 ARG 7 2HD ARG 7 -4.118 -9.524 2.938
38 HD3 ARG 7 1HD ARG 7 -3.441 -10.279 1.490
39 HE ARG 7 HE ARG 7 -1.531 -10.563 3.501
40 HH11 ARG 7 1HH2 ARG 7 -4.758 -11.546 2.842
41 HH12 ARG 7 2HH2 ARG 7 -4.656 -12.972 3.810
42 HH21 ARG 7 1HH1 ARG 7 -1.431 -12.388 4.798
43 HH22 ARG 7 2HH1 ARG 7 -2.800 -13.438 4.912
44 H ABA 8 H ABA 8 -0.905 -5.633 0.213
45 HA ABA 8 HA ABA 8 0.263 -6.087 -2.471
46 HB3 ABA 8 1HB ABA 8 -2.407 -5.578 -1.800
47 HB2 ABA 8 2HB ABA 8 -1.689 -5.454 -3.398
48 HG1 ABA 8 HG ABA 8 -1.134 -2.992 -2.822
49 H ASN 9 H ASN 9 -0.258 -3.822 0.172
50 HA ASN 9 HA ASN 9 0.815 -1.487 -0.890
51 HB2 ASN 9 2HB ASN 9 0.063 -2.432 1.665
52 HB3 ASN 9 1HB ASN 9 1.706 -1.822 1.836
53 HD21 ASN 9 1HD2 ASN 9 1.334 0.202 -0.345
54 HD22 ASN 9 2HD2 ASN 9 0.346 1.402 0.328
55 H TYR 10 H TYR 10 2.823 -0.832 -1.481
56 HA TYR 10 HA TYR 10 5.001 -2.742 -1.275
57 HB2 TYR 10 2HB TYR 10 5.812 -0.351 -2.574
58 HB3 TYR 10 1HB TYR 10 5.522 -1.927 -3.288
59 HD1 TYR 10 1HD TYR 10 3.005 -2.543 -3.710
60 HD2 TYR 10 2HD TYR 10 4.466 1.454 -3.171
61 HE1 TYR 10 1HE TYR 10 0.981 -1.650 -4.842
62 HE2 TYR 10 2HE TYR 10 2.444 2.347 -4.296
63 HH TYR 10 HH TYR 10 0.045 0.176 -5.743
64 H ASP 11 H ASP 11 7.219 -1.310 -1.246
65 HA ASP 11 HA ASP 11 7.474 -0.464 1.498
66 HB2 ASP 11 2HB ASP 11 9.154 -1.499 -0.511
67 HB3 ASP 11 1HB ASP 11 9.782 0.103 -0.140
68 H HIS 12 H HIS 12 6.383 1.136 -1.152
69 HA HIS 12 HA HIS 12 6.807 3.727 0.073
70 HB2 HIS 12 2HB HIS 12 7.846 4.710 -1.982
71 HB3 HIS 12 1HB HIS 12 8.892 3.572 -1.140
72 HD2 HIS 12 2HD HIS 12 6.525 1.356 -2.917
73 HE1 HIS 12 1HE HIS 12 9.481 2.162 -5.813
74 HE2 HIS 12 2HE HIS 12 7.529 0.649 -5.230
75 HA PRO 13 HA PRO 13 2.923 3.190 -2.407
76 HB2 PRO 13 2HB PRO 13 1.462 3.958 -0.014
77 HB3 PRO 13 1HB PRO 13 1.393 2.431 -0.908
78 HG2 PRO 13 2HG PRO 13 2.454 2.719 1.605
79 HG3 PRO 13 1HG PRO 13 2.866 1.415 0.482
80 HD2 PRO 13 2HD PRO 13 4.425 3.869 1.171
81 HD3 PRO 13 1HD PRO 13 5.003 2.244 0.735
82 H GLU 14 H GLU 14 3.685 5.565 0.096
83 HA GLU 14 HA GLU 14 3.708 7.854 0.106
84 HB2 GLU 14 2HB GLU 14 3.143 7.609 -2.854
85 HB3 GLU 14 1HB GLU 14 3.682 9.064 -2.016
86 HG2 GLU 14 2HG GLU 14 5.299 6.562 -1.690
87 HG3 GLU 14 1HG GLU 14 5.433 7.442 -3.204
88 H ILE 15 H ILE 15 2.271 9.358 0.670
89 HA ILE 15 HA ILE 15 0.176 9.974 1.475
90 HB ILE 15 HB ILE 15 -0.265 10.145 -1.502
91 HG12 ILE 15 2HG1 ILE 15 1.965 11.053 -0.744
92 HG13 ILE 15 1HG1 ILE 15 0.896 12.269 -1.438
93 HG21 ILE 15 1HG2 ILE 15 -1.382 11.580 0.913
94 HG22 ILE 15 2HG2 ILE 15 -2.268 10.735 -0.357
95 HG23 ILE 15 3HG2 ILE 15 -1.478 12.272 -0.705
96 HD11 ILE 15 3HD1 ILE 15 0.190 12.942 0.837
97 HD12 ILE 15 1HD1 ILE 15 1.933 13.109 0.633
98 HD13 ILE 15 2HD1 ILE 15 1.278 11.737 1.524
99 H CYS 16 H CYS 16 -0.565 8.034 2.374
100 HA CYS 16 HA CYS 16 -2.013 6.046 0.961
101 HB2 CYS 16 2HB CYS 16 -1.150 6.462 3.605
102 HB3 CYS 16 1HB CYS 16 -2.903 6.304 3.699
103 HN1 NH2 17 2H CYS 16 -4.713 8.552 0.488
104 HN2 NH2 17 1H CYS 16 -3.115 8.376 -0.063
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -8.584 0.548 -2.687
2 H2 GLY 1 2HT GLY 1 -8.711 2.191 -3.092
3 H3 GLY 1 3HT GLY 1 -8.602 1.725 -1.465
4 HA2 GLY 1 2HA GLY 1 -6.470 1.310 -3.489
5 HA3 GLY 1 1HA GLY 1 -6.498 2.625 -2.316
6 H ABA 2 H ABA 2 -4.554 0.431 -2.603
7 HA ABA 2 HA ABA 2 -4.908 -1.514 -0.572
8 HB3 ABA 2 1HB ABA 2 -2.121 -0.807 -0.986
9 HB2 ABA 2 2HB ABA 2 -2.971 -0.904 -2.521
10 HG1 ABA 2 HG ABA 2 -3.676 -3.225 -0.882
11 H CYS 3 H CYS 3 -5.844 0.478 0.794
12 HA CYS 3 HA CYS 3 -3.766 1.813 2.365
13 HB2 CYS 3 2HB CYS 3 -6.564 2.256 1.794
14 HB3 CYS 3 1HB CYS 3 -6.276 2.289 3.531
15 H SER 4 H SER 4 -6.134 -0.752 2.714
16 HA SER 4 HA SER 4 -5.368 -1.164 5.531
17 HB2 SER 4 2HB SER 4 -7.344 -3.005 4.912
18 HB3 SER 4 1HB SER 4 -7.590 -1.446 5.693
19 HG SER 4 HG SER 4 -8.547 -0.797 3.938
20 H ASP 5 H ASP 5 -4.431 -2.293 2.523
21 HA ASP 5 HA ASP 5 -3.885 -5.007 3.536
22 HB2 ASP 5 2HB ASP 5 -5.072 -4.485 1.268
23 HB3 ASP 5 1HB ASP 5 -3.437 -4.198 0.692
24 HA PRO 6 HA PRO 6 0.319 -3.336 3.897
25 HB2 PRO 6 2HB PRO 6 1.193 -5.233 5.651
26 HB3 PRO 6 1HB PRO 6 0.239 -3.825 6.158
27 HG2 PRO 6 2HG PRO 6 -0.630 -6.637 5.706
28 HG3 PRO 6 1HG PRO 6 -1.122 -5.490 6.964
29 HD2 PRO 6 2HD PRO 6 -2.641 -6.036 4.739
30 HD3 PRO 6 1HD PRO 6 -2.712 -4.494 5.619
31 H ARG 7 H ARG 7 -0.978 -6.201 2.647
32 HA ARG 7 HA ARG 7 1.578 -7.417 1.914
33 HB2 ARG 7 2HB ARG 7 -0.434 -8.789 2.525
34 HB3 ARG 7 1HB ARG 7 -1.219 -8.206 1.059
35 HG2 ARG 7 2HG ARG 7 0.300 -9.321 -0.354
36 HG3 ARG 7 1HG ARG 7 1.503 -9.497 0.925
37 HD2 ARG 7 2HD ARG 7 -1.202 -10.815 1.156
38 HD3 ARG 7 1HD ARG 7 0.112 -11.585 0.260
39 HE ARG 7 HE ARG 7 0.788 -10.691 2.955
40 HH11 ARG 7 1HH2 ARG 7 -0.268 -13.279 0.928
41 HH12 ARG 7 2HH2 ARG 7 0.252 -14.502 2.031
42 HH21 ARG 7 1HH1 ARG 7 1.438 -12.304 4.354
43 HH22 ARG 7 2HH1 ARG 7 1.170 -13.962 3.942
44 H ABA 8 H ABA 8 -1.120 -5.739 0.345
45 HA ABA 8 HA ABA 8 -0.009 -5.897 -2.296
46 HB3 ABA 8 1HB ABA 8 -2.467 -5.132 -1.162
47 HB2 ABA 8 2HB ABA 8 -2.048 -5.135 -2.871
48 HG1 ABA 8 HG ABA 8 -1.077 -2.721 -2.395
49 H ASN 9 H ASN 9 0.220 -3.695 0.379
50 HA ASN 9 HA ASN 9 1.103 -1.341 -0.703
51 HB2 ASN 9 2HB ASN 9 1.060 -1.073 1.536
52 HB3 ASN 9 1HB ASN 9 1.449 -2.760 1.841
53 HD21 ASN 9 1HD2 ASN 9 3.897 -3.290 1.289
54 HD22 ASN 9 2HD2 ASN 9 5.017 -2.117 1.781
55 H TYR 10 H TYR 10 2.974 -0.507 -1.532
56 HA TYR 10 HA TYR 10 4.998 -2.409 -2.403
57 HB2 TYR 10 2HB TYR 10 5.378 0.376 -3.203
58 HB3 TYR 10 1HB TYR 10 5.232 -1.067 -4.193
59 HD1 TYR 10 2HD TYR 10 2.680 -2.139 -3.921
60 HD2 TYR 10 1HD TYR 10 3.801 1.998 -3.693
61 HE1 TYR 10 2HE TYR 10 0.375 -1.476 -4.544
62 HE2 TYR 10 1HE TYR 10 1.490 2.658 -4.321
63 HH TYR 10 HH TYR 10 -0.690 0.589 -5.676
64 H ASP 11 H ASP 11 7.128 -0.618 -2.670
65 HA ASP 11 HA ASP 11 8.264 -0.738 -0.054
66 HB2 ASP 11 2HB ASP 11 9.220 -0.540 -2.668
67 HB3 ASP 11 1HB ASP 11 9.695 0.977 -1.909
68 H HIS 12 H HIS 12 6.515 1.636 -1.798
69 HA HIS 12 HA HIS 12 6.446 3.405 0.483
70 HB2 HIS 12 2HB HIS 12 7.409 5.371 -0.712
71 HB3 HIS 12 1HB HIS 12 8.592 4.104 -0.406
72 HD2 HIS 12 2HD HIS 12 6.558 2.923 -3.329
73 HE1 HIS 12 1HE HIS 12 9.726 5.109 -5.051
74 HE2 HIS 12 2HE HIS 12 7.842 3.480 -5.537
75 HA PRO 13 HA PRO 13 2.773 3.440 -2.420
76 HB2 PRO 13 2HB PRO 13 1.302 3.411 0.141
77 HB3 PRO 13 1HB PRO 13 1.107 2.370 -1.281
78 HG2 PRO 13 2HG PRO 13 2.191 1.500 1.025
79 HG3 PRO 13 1HG PRO 13 2.660 0.867 -0.560
80 HD2 PRO 13 2HD PRO 13 4.136 2.751 1.225
81 HD3 PRO 13 1HD PRO 13 4.769 1.524 0.106
82 H GLU 14 H GLU 14 4.090 5.415 -0.002
83 HA GLU 14 HA GLU 14 3.819 7.628 0.592
84 HB2 GLU 14 2HB GLU 14 2.709 7.604 -2.219
85 HB3 GLU 14 1HB GLU 14 2.857 9.087 -1.277
86 HG2 GLU 14 2HG GLU 14 5.241 7.273 -1.516
87 HG3 GLU 14 1HG GLU 14 4.824 8.308 -2.875
88 H ILE 15 H ILE 15 2.222 6.609 2.153
89 HA ILE 15 HA ILE 15 0.120 6.419 3.121
90 HB ILE 15 HB ILE 15 0.019 9.290 2.184
91 HG12 ILE 15 2HG1 ILE 15 2.173 8.809 3.262
92 HG13 ILE 15 1HG1 ILE 15 1.169 9.794 4.324
93 HG21 ILE 15 1HG2 ILE 15 -1.227 7.804 4.516
94 HG22 ILE 15 2HG2 ILE 15 -2.081 8.575 3.180
95 HG23 ILE 15 3HG2 ILE 15 -1.222 9.561 4.364
96 HD11 ILE 15 3HD1 ILE 15 2.041 6.967 4.633
97 HD12 ILE 15 1HD1 ILE 15 0.394 7.339 5.144
98 HD13 ILE 15 2HD1 ILE 15 1.753 8.199 5.862
99 H CYS 16 H CYS 16 -0.378 5.035 1.108
100 HA CYS 16 HA CYS 16 -2.004 4.268 -0.321
101 HB2 CYS 16 2HB CYS 16 -3.352 6.050 1.403
102 HB3 CYS 16 1HB CYS 16 -3.947 6.357 -0.221
103 HN1 NH2 17 2H CYS 16 -1.192 5.897 -3.297
104 HN2 NH2 17 1H CYS 16 -1.067 4.507 -2.335
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -7.709 -0.958 -3.641
2 H2 GLY 1 2HT GLY 1 -8.545 0.519 -3.641
3 H3 GLY 1 3HT GLY 1 -8.323 -0.332 -2.190
4 HA2 GLY 1 2HA GLY 1 -5.974 0.540 -3.741
5 HA3 GLY 1 1HA GLY 1 -6.810 1.686 -2.699
6 H ABA 2 H ABA 2 -4.113 0.223 -2.552
7 HA ABA 2 HA ABA 2 -4.274 -1.529 -0.298
8 HB3 ABA 2 1HB ABA 2 -1.646 -0.618 -0.412
9 HB2 ABA 2 2HB ABA 2 -2.200 -0.513 -2.082
10 HG1 ABA 2 HG ABA 2 -2.648 -3.063 -0.487
11 H CYS 3 H CYS 3 -5.714 0.382 0.696
12 HA CYS 3 HA CYS 3 -4.040 2.265 2.209
13 HB2 CYS 3 2HB CYS 3 -6.830 2.157 1.409
14 HB3 CYS 3 1HB CYS 3 -6.667 2.504 3.126
15 H SER 4 H SER 4 -6.173 -0.499 2.737
16 HA SER 4 HA SER 4 -5.268 -0.638 5.557
17 HB2 SER 4 2HB SER 4 -7.725 -0.437 5.214
18 HB3 SER 4 1HB SER 4 -7.693 -1.926 4.273
19 HG SER 4 HG SER 4 -7.515 -3.047 6.055
20 H ASP 5 H ASP 5 -4.698 -1.930 2.560
21 HA ASP 5 HA ASP 5 -4.089 -4.633 3.564
22 HB2 ASP 5 2HB ASP 5 -5.488 -4.313 1.474
23 HB3 ASP 5 1HB ASP 5 -4.044 -3.689 0.695
24 HA PRO 6 HA PRO 6 0.151 -3.074 3.391
25 HB2 PRO 6 2HB PRO 6 1.183 -4.767 5.230
26 HB3 PRO 6 1HB PRO 6 0.184 -3.375 5.694
27 HG2 PRO 6 2HG PRO 6 -0.528 -6.251 5.561
28 HG3 PRO 6 1HG PRO 6 -1.065 -5.000 6.691
29 HD2 PRO 6 2HD PRO 6 -2.528 -5.922 4.479
30 HD3 PRO 6 1HD PRO 6 -2.840 -4.417 5.371
31 H ARG 7 H ARG 7 -1.242 -5.986 2.403
32 HA ARG 7 HA ARG 7 1.150 -7.465 1.775
33 HB2 ARG 7 2HB ARG 7 -1.508 -7.879 0.437
34 HB3 ARG 7 1HB ARG 7 -0.268 -9.067 0.804
35 HG2 ARG 7 2HG ARG 7 -2.034 -7.621 2.794
36 HG3 ARG 7 1HG ARG 7 -2.123 -9.324 2.354
37 HD2 ARG 7 2HD ARG 7 0.108 -7.911 3.821
38 HD3 ARG 7 1HD ARG 7 -0.922 -9.207 4.407
39 HE ARG 7 HE ARG 7 1.164 -9.524 2.330
40 HH11 ARG 7 1HH2 ARG 7 -0.933 -10.835 4.735
41 HH12 ARG 7 2HH2 ARG 7 -0.184 -12.392 4.705
42 HH21 ARG 7 1HH1 ARG 7 2.087 -11.532 2.285
43 HH22 ARG 7 2HH1 ARG 7 1.503 -12.784 3.323
44 H ABA 8 H ABA 8 -1.015 -5.291 0.055
45 HA ABA 8 HA ABA 8 0.436 -5.578 -2.447
46 HB3 ABA 8 1HB ABA 8 -2.145 -4.845 -1.790
47 HB2 ABA 8 2HB ABA 8 -1.402 -4.637 -3.368
48 HG1 ABA 8 HG ABA 8 -0.696 -2.296 -2.649
49 H ASN 9 H ASN 9 0.219 -3.311 0.225
50 HA ASN 9 HA ASN 9 1.478 -1.052 -0.673
51 HB2 ASN 9 2HB ASN 9 0.716 -1.107 1.575
52 HB3 ASN 9 1HB ASN 9 1.682 -2.527 1.952
53 HD21 ASN 9 1HD2 ASN 9 1.740 0.960 1.754
54 HD22 ASN 9 2HD2 ASN 9 3.344 1.148 2.272
55 H TYR 10 H TYR 10 3.333 -0.758 -1.786
56 HA TYR 10 HA TYR 10 5.391 -2.792 -1.770
57 HB2 TYR 10 2HB TYR 10 6.088 -0.365 -3.200
58 HB3 TYR 10 1HB TYR 10 5.905 -2.006 -3.800
59 HD1 TYR 10 2HD TYR 10 3.384 -2.859 -3.923
60 HD2 TYR 10 1HD TYR 10 4.612 1.250 -3.965
61 HE1 TYR 10 2HE TYR 10 1.244 -2.235 -5.010
62 HE2 TYR 10 1HE TYR 10 2.468 1.876 -5.055
63 HH TYR 10 HH TYR 10 0.073 -0.607 -5.945
64 H ASP 11 H ASP 11 7.676 -1.437 -2.137
65 HA ASP 11 HA ASP 11 8.486 -0.800 0.519
66 HB2 ASP 11 2HB ASP 11 9.759 -0.907 -2.178
67 HB3 ASP 11 1HB ASP 11 10.601 -0.030 -0.907
68 H HIS 12 H HIS 12 6.948 1.038 -1.807
69 HA HIS 12 HA HIS 12 7.204 3.477 -0.318
70 HB2 HIS 12 2HB HIS 12 8.307 4.768 -2.182
71 HB3 HIS 12 1HB HIS 12 9.368 3.620 -1.369
72 HD2 HIS 12 2HD HIS 12 7.271 1.481 -3.546
73 HE1 HIS 12 1HE HIS 12 10.437 2.657 -6.070
74 HE2 HIS 12 2HE HIS 12 8.516 1.012 -5.790
75 HA PRO 13 HA PRO 13 3.676 3.246 -3.296
76 HB2 PRO 13 2HB PRO 13 1.640 2.777 -1.521
77 HB3 PRO 13 1HB PRO 13 2.585 1.498 -2.297
78 HG2 PRO 13 2HG PRO 13 2.633 2.417 0.475
79 HG3 PRO 13 1HG PRO 13 3.194 0.893 -0.224
80 HD2 PRO 13 2HD PRO 13 4.788 3.169 0.539
81 HD3 PRO 13 1HD PRO 13 5.339 1.634 -0.160
82 H GLU 14 H GLU 14 1.971 4.227 -0.420
83 HA GLU 14 HA GLU 14 2.513 7.030 -0.558
84 HB2 GLU 14 2HB GLU 14 0.293 7.732 -1.421
85 HB3 GLU 14 1HB GLU 14 1.253 6.886 -2.635
86 HG2 GLU 14 2HG GLU 14 -0.101 4.815 -1.393
87 HG3 GLU 14 1HG GLU 14 -1.298 6.103 -1.398
88 H ILE 15 H ILE 15 1.275 8.257 0.972
89 HA ILE 15 HA ILE 15 0.564 6.748 3.317
90 HB ILE 15 HB ILE 15 0.069 9.696 2.867
91 HG12 ILE 15 2HG1 ILE 15 2.395 9.193 2.223
92 HG13 ILE 15 1HG1 ILE 15 2.356 10.057 3.758
93 HG21 ILE 15 1HG2 ILE 15 -0.887 8.780 4.912
94 HG22 ILE 15 2HG2 ILE 15 0.527 9.747 5.330
95 HG23 ILE 15 3HG2 ILE 15 0.637 7.988 5.308
96 HD11 ILE 15 3HD1 ILE 15 2.294 7.614 4.775
97 HD12 ILE 15 1HD1 ILE 15 3.824 8.335 4.280
98 HD13 ILE 15 2HD1 ILE 15 3.012 7.181 3.223
99 H CYS 16 H CYS 16 -1.089 5.649 1.710
100 HA CYS 16 HA CYS 16 -3.309 5.073 1.478
101 HB2 CYS 16 2HB CYS 16 -3.284 6.664 3.818
102 HB3 CYS 16 1HB CYS 16 -4.644 7.212 2.843
103 HN1 NH2 17 2H CYS 16 -3.173 8.070 -0.963
104 HN2 NH2 17 1H CYS 16 -1.886 7.383 -0.100
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -7.454 2.807 -0.296
2 H2 GLY 1 2HT GLY 1 -8.045 2.161 -1.748
3 H3 GLY 1 3HT GLY 1 -7.526 3.774 -1.683
4 HA2 GLY 1 2HA GLY 1 -5.953 2.068 -2.734
5 HA3 GLY 1 1HA GLY 1 -5.295 3.219 -1.575
6 H ABA 2 H ABA 2 -3.702 1.219 -1.656
7 HA ABA 2 HA ABA 2 -4.411 -1.135 -0.231
8 HB3 ABA 2 1HB ABA 2 -1.590 -0.448 -0.002
9 HB2 ABA 2 2HB ABA 2 -2.177 -0.240 -1.651
10 HG1 ABA 2 HG ABA 2 -2.914 -2.799 -0.241
11 H CYS 3 H CYS 3 -5.554 0.596 1.344
12 HA CYS 3 HA CYS 3 -3.797 1.378 3.555
13 HB2 CYS 3 2HB CYS 3 -6.601 1.933 2.741
14 HB3 CYS 3 1HB CYS 3 -6.270 1.927 4.473
15 H SER 4 H SER 4 -6.446 -0.859 2.898
16 HA SER 4 HA SER 4 -6.098 -2.103 5.543
17 HB2 SER 4 2HB SER 4 -8.213 -3.394 4.492
18 HB3 SER 4 1HB SER 4 -8.352 -1.863 5.352
19 HG SER 4 HG SER 4 -9.387 -1.677 3.366
20 H ASP 5 H ASP 5 -4.493 -2.464 2.827
21 HA ASP 5 HA ASP 5 -4.401 -5.408 3.070
22 HB2 ASP 5 2HB ASP 5 -5.614 -4.560 0.982
23 HB3 ASP 5 1HB ASP 5 -4.041 -4.011 0.428
24 HA PRO 6 HA PRO 6 -0.202 -3.633 3.823
25 HB2 PRO 6 2HB PRO 6 -0.029 -6.085 5.479
26 HB3 PRO 6 1HB PRO 6 0.320 -4.405 5.919
27 HG2 PRO 6 2HG PRO 6 -1.845 -5.674 6.828
28 HG3 PRO 6 1HG PRO 6 -1.873 -3.946 6.434
29 HD2 PRO 6 2HD PRO 6 -2.945 -6.259 4.846
30 HD3 PRO 6 1HD PRO 6 -3.634 -4.636 5.077
31 H ARG 7 H ARG 7 -1.502 -6.313 2.295
32 HA ARG 7 HA ARG 7 1.070 -7.590 1.705
33 HB2 ARG 7 2HB ARG 7 -1.625 -8.375 0.596
34 HB3 ARG 7 1HB ARG 7 -0.183 -9.368 0.774
35 HG2 ARG 7 2HG ARG 7 -0.489 -8.704 3.348
36 HG3 ARG 7 1HG ARG 7 -2.172 -8.540 2.844
37 HD2 ARG 7 2HD ARG 7 -1.775 -10.826 3.621
38 HD3 ARG 7 1HD ARG 7 -2.081 -10.835 1.883
39 HE ARG 7 HE ARG 7 0.710 -10.610 2.332
40 HH11 ARG 7 1HH2 ARG 7 -1.878 -12.845 2.673
41 HH12 ARG 7 2HH2 ARG 7 -0.878 -14.230 2.410
42 HH21 ARG 7 1HH1 ARG 7 1.989 -12.386 2.021
43 HH22 ARG 7 2HH1 ARG 7 1.300 -13.971 2.059
44 H ABA 8 H ABA 8 -0.619 -4.992 0.525
45 HA ABA 8 HA ABA 8 0.245 -5.461 -2.263
46 HB3 ABA 8 1HB ABA 8 -2.199 -4.616 -1.310
47 HB2 ABA 8 2HB ABA 8 -1.612 -4.381 -2.952
48 HG1 ABA 8 HG ABA 8 -0.653 -2.109 -2.142
49 H ASN 9 H ASN 9 0.480 -3.197 0.437
50 HA ASN 9 HA ASN 9 1.682 -1.010 -0.671
51 HB2 ASN 9 2HB ASN 9 2.321 -0.425 1.452
52 HB3 ASN 9 1HB ASN 9 1.201 -1.720 1.850
53 HD21 ASN 9 1HD2 ASN 9 4.697 -1.078 1.361
54 HD22 ASN 9 2HD2 ASN 9 5.212 -2.346 2.357
55 H TYR 10 H TYR 10 3.564 -0.477 -1.618
56 HA TYR 10 HA TYR 10 5.462 -2.605 -2.181
57 HB2 TYR 10 2HB TYR 10 6.062 0.044 -3.276
58 HB3 TYR 10 1HB TYR 10 5.876 -1.498 -4.096
59 HD1 TYR 10 2HD TYR 10 3.276 -2.413 -3.857
60 HD2 TYR 10 1HD TYR 10 4.575 1.678 -3.972
61 HE1 TYR 10 2HE TYR 10 1.038 -1.727 -4.665
62 HE2 TYR 10 1HE TYR 10 2.328 2.364 -4.781
63 HH TYR 10 HH TYR 10 0.191 1.676 -5.052
64 H ASP 11 H ASP 11 7.754 -1.103 -2.584
65 HA ASP 11 HA ASP 11 8.820 -0.997 0.064
66 HB2 ASP 11 2HB ASP 11 9.816 -0.824 -2.687
67 HB3 ASP 11 1HB ASP 11 10.704 0.189 -1.553
68 H HIS 12 H HIS 12 7.194 1.266 -1.839
69 HA HIS 12 HA HIS 12 7.439 3.320 0.141
70 HB2 HIS 12 2HB HIS 12 8.465 5.024 -1.399
71 HB3 HIS 12 1HB HIS 12 9.569 3.754 -0.878
72 HD2 HIS 12 2HD HIS 12 7.359 2.276 -3.542
73 HE1 HIS 12 1HE HIS 12 10.731 3.757 -5.600
74 HE2 HIS 12 2HE HIS 12 8.669 2.276 -5.801
75 HA PRO 13 HA PRO 13 3.775 3.663 -2.636
76 HB2 PRO 13 2HB PRO 13 1.852 2.874 -0.893
77 HB3 PRO 13 1HB PRO 13 2.797 1.718 -1.853
78 HG2 PRO 13 2HG PRO 13 2.984 2.378 1.018
79 HG3 PRO 13 1HG PRO 13 3.381 0.875 0.174
80 HD2 PRO 13 2HD PRO 13 5.215 2.869 1.046
81 HD3 PRO 13 1HD PRO 13 5.579 1.468 0.015
82 H GLU 14 H GLU 14 2.077 5.235 -2.550
83 HA GLU 14 HA GLU 14 2.673 7.550 -0.994
84 HB2 GLU 14 2HB GLU 14 0.098 7.128 -2.489
85 HB3 GLU 14 1HB GLU 14 1.023 8.615 -2.279
86 HG2 GLU 14 2HG GLU 14 1.663 8.118 -4.440
87 HG3 GLU 14 1HG GLU 14 2.879 7.172 -3.587
88 H ILE 15 H ILE 15 0.903 8.674 0.214
89 HA ILE 15 HA ILE 15 0.015 7.061 2.391
90 HB ILE 15 HB ILE 15 -0.874 9.867 1.675
91 HG12 ILE 15 2HG1 ILE 15 0.938 10.265 3.592
92 HG13 ILE 15 1HG1 ILE 15 1.604 8.763 2.955
93 HG21 ILE 15 1HG2 ILE 15 -2.296 9.273 3.399
94 HG22 ILE 15 2HG2 ILE 15 -0.902 9.781 4.351
95 HG23 ILE 15 3HG2 ILE 15 -1.179 8.068 4.046
96 HD11 ILE 15 3HD1 ILE 15 0.831 10.706 0.877
97 HD12 ILE 15 1HD1 ILE 15 2.305 9.749 1.037
98 HD13 ILE 15 2HD1 ILE 15 2.131 11.257 1.933
99 H CYS 16 H CYS 16 -0.989 5.656 0.480
100 HA CYS 16 HA CYS 16 -2.914 4.632 -0.246
101 HB2 CYS 16 2HB CYS 16 -3.696 5.913 2.136
102 HB3 CYS 16 1HB CYS 16 -4.950 6.262 0.947
103 HN1 NH2 17 2H CYS 16 -4.135 8.233 -1.681
104 HN2 NH2 17 1H CYS 16 -3.654 8.130 -0.058
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -7.582 1.647 -3.333
2 H2 GLY 1 2HT GLY 1 -7.247 3.199 -2.729
3 H3 GLY 1 3HT GLY 1 -7.545 1.915 -1.661
4 HA2 GLY 1 2HA GLY 1 -5.394 1.313 -3.445
5 HA3 GLY 1 1HA GLY 1 -5.081 2.765 -2.491
6 H ABA 2 H ABA 2 -3.500 0.626 -1.995
7 HA ABA 2 HA ABA 2 -4.391 -1.250 -0.092
8 HB3 ABA 2 1HB ABA 2 -1.714 -0.730 0.528
9 HB2 ABA 2 2HB ABA 2 -1.852 -0.357 -1.190
10 HG1 ABA 2 HG ABA 2 -2.919 -2.995 -0.105
11 H CYS 3 H CYS 3 -5.800 0.187 1.191
12 HA CYS 3 HA CYS 3 -4.436 1.963 3.089
13 HB2 CYS 3 2HB CYS 3 -7.146 1.674 2.045
14 HB3 CYS 3 1HB CYS 3 -7.113 1.869 3.796
15 H SER 4 H SER 4 -6.124 -1.110 3.000
16 HA SER 4 HA SER 4 -5.615 -1.453 5.900
17 HB2 SER 4 2HB SER 4 -7.985 -1.530 5.318
18 HB3 SER 4 1HB SER 4 -7.667 -2.779 4.117
19 HG SER 4 HG SER 4 -7.779 -2.927 6.890
20 H ASP 5 H ASP 5 -5.063 -2.825 2.719
21 HA ASP 5 HA ASP 5 -3.984 -5.283 3.863
22 HB2 ASP 5 2HB ASP 5 -4.691 -4.364 1.094
23 HB3 ASP 5 1HB ASP 5 -3.735 -5.813 1.359
24 HA PRO 6 HA PRO 6 0.116 -3.466 3.470
25 HB2 PRO 6 2HB PRO 6 1.424 -5.342 4.916
26 HB3 PRO 6 1HB PRO 6 0.390 -4.116 5.676
27 HG2 PRO 6 2HG PRO 6 -0.174 -6.982 5.115
28 HG3 PRO 6 1HG PRO 6 -0.632 -5.992 6.511
29 HD2 PRO 6 2HD PRO 6 -2.330 -6.605 4.391
30 HD3 PRO 6 1HD PRO 6 -2.547 -5.232 5.499
31 H ARG 7 H ARG 7 -0.983 -6.595 2.479
32 HA ARG 7 HA ARG 7 1.366 -7.648 1.323
33 HB2 ARG 7 2HB ARG 7 -0.138 -9.070 0.019
34 HB3 ARG 7 1HB ARG 7 -0.597 -9.021 1.724
35 HG2 ARG 7 2HG ARG 7 -2.241 -7.174 1.096
36 HG3 ARG 7 1HG ARG 7 -1.913 -7.570 -0.591
37 HD2 ARG 7 2HD ARG 7 -3.523 -9.020 1.394
38 HD3 ARG 7 1HD ARG 7 -3.589 -9.077 -0.368
39 HE ARG 7 HE ARG 7 -1.241 -10.401 0.489
40 HH11 ARG 7 1HH2 ARG 7 -4.655 -10.717 0.566
41 HH12 ARG 7 2HH2 ARG 7 -4.623 -12.444 0.642
42 HH21 ARG 7 1HH1 ARG 7 -1.196 -12.612 0.578
43 HH22 ARG 7 2HH1 ARG 7 -2.668 -13.512 0.637
44 H ABA 8 H ABA 8 -1.056 -5.411 0.091
45 HA ABA 8 HA ABA 8 0.037 -5.394 -2.587
46 HB3 ABA 8 1HB ABA 8 -2.409 -4.676 -1.491
47 HB2 ABA 8 2HB ABA 8 -1.878 -4.306 -3.129
48 HG1 ABA 8 HG ABA 8 -0.969 -2.096 -2.272
49 H ASN 9 H ASN 9 0.259 -3.456 0.331
50 HA ASN 9 HA ASN 9 1.390 -1.113 -0.510
51 HB2 ASN 9 2HB ASN 9 1.265 -0.979 1.739
52 HB3 ASN 9 1HB ASN 9 1.433 -2.716 1.935
53 HD21 ASN 9 1HD2 ASN 9 3.082 0.293 2.242
54 HD22 ASN 9 2HD2 ASN 9 4.615 -0.347 2.587
55 H TYR 10 H TYR 10 3.163 -0.547 -1.602
56 HA TYR 10 HA TYR 10 5.073 -2.541 -2.400
57 HB2 TYR 10 2HB TYR 10 5.560 0.324 -3.006
58 HB3 TYR 10 1HB TYR 10 5.632 -1.080 -4.061
59 HD1 TYR 10 2HD TYR 10 3.049 -2.327 -3.825
60 HD2 TYR 10 1HD TYR 10 4.033 1.847 -3.914
61 HE1 TYR 10 2HE TYR 10 0.774 -1.812 -4.675
62 HE2 TYR 10 1HE TYR 10 1.750 2.363 -4.764
63 HH TYR 10 HH TYR 10 -0.069 0.847 -6.160
64 H ASP 11 H ASP 11 7.396 -1.078 -2.562
65 HA ASP 11 HA ASP 11 8.356 -1.282 0.156
66 HB2 ASP 11 2HB ASP 11 9.561 -0.939 -2.547
67 HB3 ASP 11 1HB ASP 11 10.514 -0.447 -1.153
68 H HIS 12 H HIS 12 6.930 1.151 -1.601
69 HA HIS 12 HA HIS 12 7.455 3.141 0.393
70 HB2 HIS 12 2HB HIS 12 8.581 4.772 -1.135
71 HB3 HIS 12 1HB HIS 12 9.581 3.374 -0.748
72 HD2 HIS 12 2HD HIS 12 7.267 1.955 -3.222
73 HE1 HIS 12 1HE HIS 12 10.229 3.758 -5.617
74 HE2 HIS 12 2HE HIS 12 8.257 2.150 -5.627
75 HA PRO 13 HA PRO 13 3.752 3.611 -2.458
76 HB2 PRO 13 2HB PRO 13 1.786 2.934 -0.687
77 HB3 PRO 13 1HB PRO 13 2.625 1.750 -1.705
78 HG2 PRO 13 2HG PRO 13 3.030 2.394 1.172
79 HG3 PRO 13 1HG PRO 13 3.093 0.829 0.344
80 HD2 PRO 13 2HD PRO 13 5.331 2.281 1.072
81 HD3 PRO 13 1HD PRO 13 5.303 1.087 -0.245
82 H GLU 14 H GLU 14 2.008 5.207 -2.271
83 HA GLU 14 HA GLU 14 2.797 7.483 -0.691
84 HB2 GLU 14 2HB GLU 14 1.303 7.015 -3.090
85 HB3 GLU 14 1HB GLU 14 0.277 7.905 -1.966
86 HG2 GLU 14 2HG GLU 14 1.599 9.773 -2.028
87 HG3 GLU 14 1HG GLU 14 3.091 8.841 -2.150
88 H ILE 15 H ILE 15 0.972 8.728 0.388
89 HA ILE 15 HA ILE 15 -0.032 7.168 2.556
90 HB ILE 15 HB ILE 15 -0.915 9.969 1.847
91 HG12 ILE 15 2HG1 ILE 15 1.538 9.905 1.740
92 HG13 ILE 15 1HG1 ILE 15 1.026 10.731 3.209
93 HG21 ILE 15 1HG2 ILE 15 -0.498 8.581 4.514
94 HG22 ILE 15 2HG2 ILE 15 -2.061 8.742 3.713
95 HG23 ILE 15 3HG2 ILE 15 -1.196 10.179 4.254
96 HD11 ILE 15 3HD1 ILE 15 2.123 7.934 2.925
97 HD12 ILE 15 1HD1 ILE 15 1.225 8.430 4.359
98 HD13 ILE 15 2HD1 ILE 15 2.728 9.248 3.934
99 H CYS 16 H CYS 16 -1.077 5.780 0.644
100 HA CYS 16 HA CYS 16 -3.024 4.933 -0.277
101 HB2 CYS 16 2HB CYS 16 -3.568 5.722 2.372
102 HB3 CYS 16 1HB CYS 16 -4.949 6.244 1.410
103 HN1 NH2 17 2H CYS 16 -3.530 8.427 -1.841
104 HN2 NH2 17 1H CYS 16 -2.150 7.807 -1.079
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -8.046 1.376 -1.781
2 H2 GLY 1 2HT GLY 1 -7.915 0.553 -3.260
3 H3 GLY 1 3HT GLY 1 -8.026 2.244 -3.237
4 HA2 GLY 1 2HA GLY 1 -5.729 1.097 -3.568
5 HA3 GLY 1 1HA GLY 1 -5.868 2.538 -2.561
6 H ABA 2 H ABA 2 -3.855 0.495 -2.296
7 HA ABA 2 HA ABA 2 -4.382 -1.391 -0.277
8 HB3 ABA 2 1HB ABA 2 -1.716 -0.636 0.074
9 HB2 ABA 2 2HB ABA 2 -2.046 -0.277 -1.617
10 HG1 ABA 2 HG ABA 2 -2.755 -3.000 -0.455
11 H CYS 3 H CYS 3 -5.842 0.236 0.933
12 HA CYS 3 HA CYS 3 -4.377 1.978 2.790
13 HB2 CYS 3 2HB CYS 3 -7.022 1.929 1.689
14 HB3 CYS 3 1HB CYS 3 -7.139 1.862 3.447
15 H SER 4 H SER 4 -6.415 -0.921 2.840
16 HA SER 4 HA SER 4 -5.698 -1.334 5.685
17 HB2 SER 4 2HB SER 4 -7.652 -3.023 5.510
18 HB3 SER 4 1HB SER 4 -8.036 -1.303 5.562
19 HG SER 4 HG SER 4 -9.136 -2.017 3.826
20 H ASP 5 H ASP 5 -4.630 -2.187 2.747
21 HA ASP 5 HA ASP 5 -4.059 -4.976 3.529
22 HB2 ASP 5 2HB ASP 5 -5.273 -4.890 1.443
23 HB3 ASP 5 1HB ASP 5 -4.146 -3.707 0.788
24 HA PRO 6 HA PRO 6 0.091 -3.228 3.849
25 HB2 PRO 6 2HB PRO 6 1.091 -5.193 5.442
26 HB3 PRO 6 1HB PRO 6 0.072 -3.881 6.067
27 HG2 PRO 6 2HG PRO 6 -0.621 -6.710 5.495
28 HG3 PRO 6 1HG PRO 6 -1.214 -5.633 6.769
29 HD2 PRO 6 2HD PRO 6 -2.593 -6.243 4.420
30 HD3 PRO 6 1HD PRO 6 -2.918 -4.841 5.465
31 H ARG 7 H ARG 7 -1.130 -6.013 2.401
32 HA ARG 7 HA ARG 7 1.340 -7.273 1.630
33 HB2 ARG 7 2HB ARG 7 -1.171 -8.174 1.757
34 HB3 ARG 7 1HB ARG 7 -1.152 -7.707 0.059
35 HG2 ARG 7 2HG ARG 7 0.291 -9.381 -0.514
36 HG3 ARG 7 1HG ARG 7 1.254 -9.177 0.949
37 HD2 ARG 7 2HD ARG 7 -1.472 -10.496 0.862
38 HD3 ARG 7 1HD ARG 7 0.057 -11.371 0.869
39 HE ARG 7 HE ARG 7 -1.029 -9.762 3.104
40 HH11 ARG 7 1HH2 ARG 7 1.368 -11.890 1.836
41 HH12 ARG 7 2HH2 ARG 7 1.963 -12.332 3.395
42 HH21 ARG 7 1HH1 ARG 7 -0.242 -10.339 5.089
43 HH22 ARG 7 2HH1 ARG 7 1.070 -11.459 5.217
44 H ABA 8 H ABA 8 -1.125 -5.473 -0.264
45 HA ABA 8 HA ABA 8 0.410 -5.312 -2.626
46 HB3 ABA 8 1HB ABA 8 -2.151 -4.616 -1.925
47 HB2 ABA 8 2HB ABA 8 -1.387 -4.197 -3.451
48 HG1 ABA 8 HG ABA 8 -0.658 -1.994 -2.382
49 H ASN 9 H ASN 9 0.256 -3.223 0.201
50 HA ASN 9 HA ASN 9 1.516 -0.929 -0.604
51 HB2 ASN 9 2HB ASN 9 0.659 -1.324 1.667
52 HB3 ASN 9 1HB ASN 9 1.973 -2.456 1.975
53 HD21 ASN 9 1HD2 ASN 9 4.215 -1.515 1.936
54 HD22 ASN 9 2HD2 ASN 9 4.416 0.115 2.358
55 H TYR 10 H TYR 10 3.331 -0.684 -1.827
56 HA TYR 10 HA TYR 10 5.433 -2.656 -1.806
57 HB2 TYR 10 2HB TYR 10 6.166 -0.175 -3.107
58 HB3 TYR 10 1HB TYR 10 5.981 -1.777 -3.794
59 HD1 TYR 10 2HD TYR 10 3.317 -2.519 -3.853
60 HD2 TYR 10 1HD TYR 10 4.882 1.471 -4.069
61 HE1 TYR 10 2HE TYR 10 1.257 -1.775 -5.025
62 HE2 TYR 10 1HE TYR 10 2.826 2.212 -5.250
63 HH TYR 10 HH TYR 10 0.161 1.048 -5.226
64 H ASP 11 H ASP 11 7.710 -1.153 -2.070
65 HA ASP 11 HA ASP 11 8.521 -0.735 0.589
66 HB2 ASP 11 2HB ASP 11 9.676 -0.475 -2.075
67 HB3 ASP 11 1HB ASP 11 10.283 0.750 -0.965
68 H HIS 12 H HIS 12 6.943 1.300 -1.656
69 HA HIS 12 HA HIS 12 6.432 3.330 0.286
70 HB2 HIS 12 2HB HIS 12 7.639 5.182 -0.918
71 HB3 HIS 12 1HB HIS 12 8.694 4.023 -0.117
72 HD2 HIS 12 2HD HIS 12 7.424 2.489 -3.343
73 HE1 HIS 12 1HE HIS 12 11.119 4.273 -4.323
74 HE2 HIS 12 2HE HIS 12 9.301 2.696 -5.146
75 HA PRO 13 HA PRO 13 3.558 3.015 -3.369
76 HB2 PRO 13 2HB PRO 13 1.259 3.022 -1.829
77 HB3 PRO 13 1HB PRO 13 2.105 1.561 -2.364
78 HG2 PRO 13 2HG PRO 13 2.159 2.920 0.273
79 HG3 PRO 13 1HG PRO 13 2.230 1.195 -0.117
80 HD2 PRO 13 2HD PRO 13 4.435 2.654 0.606
81 HD3 PRO 13 1HD PRO 13 4.519 1.225 -0.447
82 H GLU 14 H GLU 14 1.768 4.588 -0.803
83 HA GLU 14 HA GLU 14 2.536 7.274 -1.454
84 HB2 GLU 14 2HB GLU 14 0.485 6.008 -3.055
85 HB3 GLU 14 1HB GLU 14 -0.189 7.369 -2.158
86 HG2 GLU 14 2HG GLU 14 1.925 8.658 -2.969
87 HG3 GLU 14 1HG GLU 14 2.068 7.367 -4.159
88 H ILE 15 H ILE 15 1.983 5.422 0.834
89 HA ILE 15 HA ILE 15 0.864 5.362 2.863
90 HB ILE 15 HB ILE 15 1.159 8.351 2.504
91 HG12 ILE 15 2HG1 ILE 15 3.287 7.194 2.077
92 HG13 ILE 15 1HG1 ILE 15 3.347 8.020 3.632
93 HG21 ILE 15 1HG2 ILE 15 0.166 6.688 4.642
94 HG22 ILE 15 2HG2 ILE 15 0.296 8.445 4.591
95 HG23 ILE 15 3HG2 ILE 15 1.654 7.476 5.159
96 HD11 ILE 15 3HD1 ILE 15 2.441 5.669 4.507
97 HD12 ILE 15 1HD1 ILE 15 4.162 5.962 4.276
98 HD13 ILE 15 2HD1 ILE 15 3.245 5.094 3.047
99 H CYS 16 H CYS 16 -0.827 5.438 0.492
100 HA CYS 16 HA CYS 16 -3.044 5.570 -0.075
101 HB2 CYS 16 2HB CYS 16 -2.955 5.051 2.708
102 HB3 CYS 16 1HB CYS 16 -4.241 6.228 2.435
103 HN1 NH2 17 2H CYS 16 -2.531 9.389 0.355
104 HN2 NH2 17 1H CYS 16 -1.337 8.184 0.439
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -6.268 4.313 -1.580
2 H2 GLY 1 2HT GLY 1 -5.264 3.993 -0.250
3 H3 GLY 1 3HT GLY 1 -6.674 3.077 -0.499
4 HA2 GLY 1 2HA GLY 1 -5.782 2.049 -2.443
5 HA3 GLY 1 1HA GLY 1 -4.393 3.133 -2.400
6 H ABA 2 H ABA 2 -5.233 0.063 -1.797
7 HA ABA 2 HA ABA 2 -4.566 -1.626 -0.391
8 HB3 ABA 2 1HB ABA 2 -1.834 -0.726 -0.143
9 HB2 ABA 2 2HB ABA 2 -2.431 -0.437 -1.769
10 HG1 ABA 2 HG ABA 2 -2.967 -3.159 -0.593
11 H CYS 3 H CYS 3 -5.549 0.727 1.088
12 HA CYS 3 HA CYS 3 -3.836 1.127 3.369
13 HB2 CYS 3 2HB CYS 3 -6.253 2.253 2.374
14 HB3 CYS 3 1HB CYS 3 -6.565 1.690 4.013
15 H SER 4 H SER 4 -6.661 -0.873 2.676
16 HA SER 4 HA SER 4 -6.606 -2.072 5.343
17 HB2 SER 4 2HB SER 4 -8.796 -1.695 4.512
18 HB3 SER 4 1HB SER 4 -8.403 -2.375 2.936
19 HG SER 4 HG SER 4 -7.871 -4.333 4.454
20 H ASP 5 H ASP 5 -4.700 -2.497 2.770
21 HA ASP 5 HA ASP 5 -4.382 -5.387 3.294
22 HB2 ASP 5 2HB ASP 5 -5.539 -5.030 1.127
23 HB3 ASP 5 1HB ASP 5 -4.168 -4.074 0.576
24 HA PRO 6 HA PRO 6 -0.289 -3.546 3.957
25 HB2 PRO 6 2HB PRO 6 0.645 -5.524 5.581
26 HB3 PRO 6 1HB PRO 6 -0.438 -4.240 6.155
27 HG2 PRO 6 2HG PRO 6 -1.055 -7.062 5.450
28 HG3 PRO 6 1HG PRO 6 -1.709 -6.047 6.747
29 HD2 PRO 6 2HD PRO 6 -3.021 -6.558 4.363
30 HD3 PRO 6 1HD PRO 6 -3.332 -5.143 5.390
31 H ARG 7 H ARG 7 -1.326 -6.311 2.344
32 HA ARG 7 HA ARG 7 1.244 -7.468 1.738
33 HB2 ARG 7 2HB ARG 7 -1.361 -7.897 0.269
34 HB3 ARG 7 1HB ARG 7 0.035 -8.963 0.308
35 HG2 ARG 7 2HG ARG 7 -0.473 -8.731 2.973
36 HG3 ARG 7 1HG ARG 7 -2.105 -8.581 2.322
37 HD2 ARG 7 2HD ARG 7 -1.660 -10.932 2.723
38 HD3 ARG 7 1HD ARG 7 -1.700 -10.665 0.978
39 HE ARG 7 HE ARG 7 0.962 -10.362 1.843
40 HH11 ARG 7 1HH2 ARG 7 -1.466 -12.775 1.600
41 HH12 ARG 7 2HH2 ARG 7 -0.340 -14.072 1.418
42 HH21 ARG 7 1HH1 ARG 7 2.407 -12.046 1.617
43 HH22 ARG 7 2HH1 ARG 7 1.828 -13.663 1.434
44 H ABA 8 H ABA 8 -1.168 -5.674 -0.220
45 HA ABA 8 HA ABA 8 0.453 -5.437 -2.520
46 HB3 ABA 8 1HB ABA 8 -2.138 -4.785 -1.885
47 HB2 ABA 8 2HB ABA 8 -1.327 -4.349 -3.377
48 HG1 ABA 8 HG ABA 8 -0.628 -2.149 -2.200
49 H ASN 9 H ASN 9 0.452 -3.714 0.463
50 HA ASN 9 HA ASN 9 1.492 -1.251 -0.023
51 HB2 ASN 9 2HB ASN 9 1.084 -2.133 2.229
52 HB3 ASN 9 1HB ASN 9 2.477 -3.200 2.071
53 HD21 ASN 9 1HD2 ASN 9 4.605 -2.242 2.221
54 HD22 ASN 9 2HD2 ASN 9 4.829 -0.636 2.718
55 H TYR 10 H TYR 10 3.052 -0.577 -1.330
56 HA TYR 10 HA TYR 10 5.196 -2.311 -2.169
57 HB2 TYR 10 2HB TYR 10 4.885 0.594 -2.895
58 HB3 TYR 10 1HB TYR 10 5.569 -0.719 -3.848
59 HD1 TYR 10 2HD TYR 10 4.096 -2.486 -4.796
60 HD2 TYR 10 1HD TYR 10 2.510 1.004 -2.871
61 HE1 TYR 10 2HE TYR 10 1.869 -2.933 -5.810
62 HE2 TYR 10 1HE TYR 10 0.290 0.561 -3.883
63 HH TYR 10 HH TYR 10 -0.471 -2.411 -5.402
64 H ASP 11 H ASP 11 7.410 -1.065 -2.405
65 HA ASP 11 HA ASP 11 8.448 -0.748 0.205
66 HB2 ASP 11 2HB ASP 11 9.477 -0.820 -2.482
67 HB3 ASP 11 1HB ASP 11 10.226 0.505 -1.603
68 H HIS 12 H HIS 12 6.659 1.388 -1.643
69 HA HIS 12 HA HIS 12 6.915 3.511 0.250
70 HB2 HIS 12 2HB HIS 12 7.842 5.218 -1.336
71 HB3 HIS 12 1HB HIS 12 9.003 3.983 -0.861
72 HD2 HIS 12 2HD HIS 12 6.761 2.401 -3.428
73 HE1 HIS 12 1HE HIS 12 9.938 4.077 -5.647
74 HE2 HIS 12 2HE HIS 12 7.972 2.470 -5.749
75 HA PRO 13 HA PRO 13 3.068 3.358 -2.349
76 HB2 PRO 13 2HB PRO 13 1.661 3.677 0.200
77 HB3 PRO 13 1HB PRO 13 1.504 2.392 -1.008
78 HG2 PRO 13 2HG PRO 13 2.637 2.038 1.437
79 HG3 PRO 13 1HG PRO 13 3.048 1.072 0.010
80 HD2 PRO 13 2HD PRO 13 4.587 3.296 1.291
81 HD3 PRO 13 1HD PRO 13 5.181 1.844 0.451
82 H GLU 14 H GLU 14 1.549 5.029 -2.763
83 HA GLU 14 HA GLU 14 2.508 7.679 -2.106
84 HB2 GLU 14 2HB GLU 14 0.081 6.827 -3.704
85 HB3 GLU 14 1HB GLU 14 0.828 8.428 -3.707
86 HG2 GLU 14 2HG GLU 14 2.999 7.019 -4.343
87 HG3 GLU 14 1HG GLU 14 1.805 5.869 -4.927
88 H ILE 15 H ILE 15 2.092 7.474 0.237
89 HA ILE 15 HA ILE 15 0.806 7.646 2.161
90 HB ILE 15 HB ILE 15 -0.470 9.711 0.356
91 HG12 ILE 15 2HG1 ILE 15 1.174 11.090 1.971
92 HG13 ILE 15 1HG1 ILE 15 2.047 9.559 1.958
93 HG21 ILE 15 1HG2 ILE 15 -1.917 9.815 2.138
94 HG22 ILE 15 2HG2 ILE 15 -0.602 10.743 2.855
95 HG23 ILE 15 3HG2 ILE 15 -0.781 9.031 3.239
96 HD11 ILE 15 3HD1 ILE 15 1.100 10.839 -0.604
97 HD12 ILE 15 1HD1 ILE 15 2.353 9.620 -0.386
98 HD13 ILE 15 2HD1 ILE 15 2.643 11.281 0.126
99 H CYS 16 H CYS 16 -0.017 5.417 1.095
100 HA CYS 16 HA CYS 16 -1.753 3.917 0.923
101 HB2 CYS 16 2HB CYS 16 -2.353 5.635 3.073
102 HB3 CYS 16 1HB CYS 16 -3.854 5.448 2.170
103 HN1 NH2 17 2H CYS 16 -3.145 6.334 -1.787
104 HN2 NH2 17 1H CYS 16 -1.663 6.490 -0.977
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -6.541 3.302 -3.981
2 H2 GLY 1 2HT GLY 1 -6.024 3.351 -2.364
3 H3 GLY 1 3HT GLY 1 -7.474 2.567 -2.773
4 HA2 GLY 1 2HA GLY 1 -6.352 0.816 -3.863
5 HA3 GLY 1 1HA GLY 1 -4.831 1.701 -3.804
6 H ABA 2 H ABA 2 -3.524 0.601 -2.465
7 HA ABA 2 HA ABA 2 -4.345 -1.030 -0.323
8 HB3 ABA 2 1HB ABA 2 -1.794 -0.351 0.375
9 HB2 ABA 2 2HB ABA 2 -1.790 0.035 -1.346
10 HG1 ABA 2 HG ABA 2 -2.780 -2.673 -0.357
11 H CYS 3 H CYS 3 -5.867 0.210 0.846
12 HA CYS 3 HA CYS 3 -4.810 2.467 2.426
13 HB2 CYS 3 2HB CYS 3 -7.423 1.752 1.368
14 HB3 CYS 3 1HB CYS 3 -7.492 2.100 3.094
15 H SER 4 H SER 4 -6.155 -0.760 2.721
16 HA SER 4 HA SER 4 -5.492 -0.743 5.607
17 HB2 SER 4 2HB SER 4 -7.292 -2.675 5.569
18 HB3 SER 4 1HB SER 4 -7.784 -0.986 5.668
19 HG SER 4 HG SER 4 -8.247 -2.806 3.716
20 H ASP 5 H ASP 5 -5.116 -2.343 2.547
21 HA ASP 5 HA ASP 5 -4.120 -4.815 3.692
22 HB2 ASP 5 2HB ASP 5 -5.398 -4.547 1.474
23 HB3 ASP 5 1HB ASP 5 -3.866 -4.008 0.806
24 HA PRO 6 HA PRO 6 0.051 -3.139 3.725
25 HB2 PRO 6 2HB PRO 6 1.111 -4.953 5.415
26 HB3 PRO 6 1HB PRO 6 0.008 -3.682 5.981
27 HG2 PRO 6 2HG PRO 6 -0.516 -6.568 5.512
28 HG3 PRO 6 1HG PRO 6 -1.171 -5.484 6.749
29 HD2 PRO 6 2HD PRO 6 -2.485 -6.238 4.379
30 HD3 PRO 6 1HD PRO 6 -2.931 -4.875 5.429
31 H ARG 7 H ARG 7 -1.122 -6.064 2.407
32 HA ARG 7 HA ARG 7 1.427 -7.250 1.735
33 HB2 ARG 7 2HB ARG 7 -1.397 -7.764 0.800
34 HB3 ARG 7 1HB ARG 7 -0.011 -8.633 0.150
35 HG2 ARG 7 2HG ARG 7 0.595 -9.107 2.629
36 HG3 ARG 7 1HG ARG 7 -1.071 -8.639 2.971
37 HD2 ARG 7 2HD ARG 7 -1.192 -10.972 2.671
38 HD3 ARG 7 1HD ARG 7 -1.724 -10.316 1.122
39 HE ARG 7 HE ARG 7 0.937 -10.632 0.715
40 HH11 ARG 7 1HH2 ARG 7 -1.484 -12.692 2.030
41 HH12 ARG 7 2HH2 ARG 7 -0.710 -14.144 1.495
42 HH21 ARG 7 1HH1 ARG 7 1.924 -12.511 0.038
43 HH22 ARG 7 2HH1 ARG 7 1.200 -14.045 0.388
44 H ABA 8 H ABA 8 -0.724 -4.939 0.268
45 HA ABA 8 HA ABA 8 0.672 -4.999 -2.292
46 HB3 ABA 8 1HB ABA 8 -1.898 -4.338 -1.571
47 HB2 ABA 8 2HB ABA 8 -1.129 -3.907 -3.090
48 HG1 ABA 8 HG ABA 8 -0.414 -1.695 -2.004
49 H ASN 9 H ASN 9 0.985 -3.540 0.717
50 HA ASN 9 HA ASN 9 2.008 -1.006 0.182
51 HB2 ASN 9 2HB ASN 9 1.461 -1.809 2.442
52 HB3 ASN 9 1HB ASN 9 2.822 -2.926 2.377
53 HD21 ASN 9 1HD2 ASN 9 5.011 -1.719 1.813
54 HD22 ASN 9 2HD2 ASN 9 5.252 -0.252 2.634
55 H TYR 10 H TYR 10 3.322 -1.112 -1.717
56 HA TYR 10 HA TYR 10 5.625 -2.766 -1.929
57 HB2 TYR 10 2HB TYR 10 5.506 -0.153 -3.365
58 HB3 TYR 10 1HB TYR 10 5.945 -1.747 -3.966
59 HD1 TYR 10 1HD TYR 10 4.228 -3.365 -4.631
60 HD2 TYR 10 2HD TYR 10 3.184 0.566 -3.270
61 HE1 TYR 10 1HE TYR 10 1.934 -3.658 -5.540
62 HE2 TYR 10 2HE TYR 10 0.890 0.274 -4.174
63 HH TYR 10 HH TYR 10 -0.184 -1.125 -6.001
64 H ASP 11 H ASP 11 7.560 -0.813 -2.734
65 HA ASP 11 HA ASP 11 8.789 -0.274 -0.226
66 HB2 ASP 11 2HB ASP 11 9.398 0.314 -3.084
67 HB3 ASP 11 1HB ASP 11 10.249 1.239 -1.853
68 H HIS 12 H HIS 12 6.543 1.415 -2.126
69 HA HIS 12 HA HIS 12 6.242 3.491 -0.163
70 HB2 HIS 12 2HB HIS 12 6.679 5.372 -1.785
71 HB3 HIS 12 1HB HIS 12 8.115 4.498 -1.263
72 HD2 HIS 12 2HD HIS 12 6.396 2.350 -3.839
73 HE1 HIS 12 1HE HIS 12 9.119 4.731 -6.024
74 HE2 HIS 12 2HE HIS 12 7.604 2.695 -6.142
75 HA PRO 13 HA PRO 13 2.521 2.469 -2.708
76 HB2 PRO 13 2HB PRO 13 0.890 1.760 -0.664
77 HB3 PRO 13 1HB PRO 13 2.088 0.637 -1.339
78 HG2 PRO 13 2HG PRO 13 2.240 2.298 1.137
79 HG3 PRO 13 1HG PRO 13 2.731 0.620 0.876
80 HD2 PRO 13 2HD PRO 13 4.500 2.724 0.871
81 HD3 PRO 13 1HD PRO 13 4.775 1.208 -0.018
82 H GLU 14 H GLU 14 3.514 4.940 -0.935
83 HA GLU 14 HA GLU 14 2.754 7.068 -0.554
84 HB2 GLU 14 2HB GLU 14 1.663 6.492 -2.875
85 HB3 GLU 14 1HB GLU 14 0.169 6.470 -1.937
86 HG2 GLU 14 2HG GLU 14 0.471 8.731 -1.225
87 HG3 GLU 14 1HG GLU 14 2.129 8.775 -1.816
88 H ILE 15 H ILE 15 1.749 4.535 0.970
89 HA ILE 15 HA ILE 15 0.236 4.014 2.658
90 HB ILE 15 HB ILE 15 1.044 6.843 3.376
91 HG12 ILE 15 2HG1 ILE 15 2.625 5.319 4.881
92 HG13 ILE 15 1HG1 ILE 15 2.363 4.158 3.581
93 HG21 ILE 15 1HG2 ILE 15 -0.602 4.819 4.702
94 HG22 ILE 15 2HG2 ILE 15 -0.374 6.519 5.113
95 HG23 ILE 15 3HG2 ILE 15 0.776 5.310 5.685
96 HD11 ILE 15 3HD1 ILE 15 3.801 5.261 2.247
97 HD12 ILE 15 1HD1 ILE 15 4.180 6.325 3.600
98 HD13 ILE 15 2HD1 ILE 15 2.907 6.764 2.462
99 H CYS 16 H CYS 16 -1.127 4.892 0.343
100 HA CYS 16 HA CYS 16 -3.224 5.534 -0.347
101 HB2 CYS 16 2HB CYS 16 -3.511 4.547 2.305
102 HB3 CYS 16 1HB CYS 16 -4.559 5.954 2.138
103 HN1 NH2 17 2H CYS 16 -2.121 9.057 0.808
104 HN2 NH2 17 1H CYS 16 -1.166 7.658 0.695
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -8.019 3.018 -3.334
2 H2 GLY 1 2HT GLY 1 -6.871 3.573 -2.214
3 H3 GLY 1 3HT GLY 1 -7.951 2.342 -1.781
4 HA2 GLY 1 2HA GLY 1 -6.897 1.071 -3.766
5 HA3 GLY 1 1HA GLY 1 -5.573 2.207 -3.515
6 H ABA 2 H ABA 2 -4.121 0.625 -2.744
7 HA ABA 2 HA ABA 2 -4.713 -1.251 -0.709
8 HB3 ABA 2 1HB ABA 2 -1.927 -0.423 -0.682
9 HB2 ABA 2 2HB ABA 2 -2.505 -0.628 -2.333
10 HG1 ABA 2 HG ABA 2 -3.171 -2.830 -0.389
11 H CYS 3 H CYS 3 -5.980 0.430 0.570
12 HA CYS 3 HA CYS 3 -4.355 2.167 2.271
13 HB2 CYS 3 2HB CYS 3 -7.098 2.074 1.430
14 HB3 CYS 3 1HB CYS 3 -7.030 2.094 3.192
15 H SER 4 H SER 4 -6.391 -0.714 2.594
16 HA SER 4 HA SER 4 -5.310 -1.098 5.329
17 HB2 SER 4 2HB SER 4 -7.753 -2.575 4.559
18 HB3 SER 4 1HB SER 4 -7.344 -1.771 6.073
19 HG SER 4 HG SER 4 -7.919 0.181 5.185
20 H ASP 5 H ASP 5 -4.037 -1.945 2.843
21 HA ASP 5 HA ASP 5 -4.035 -4.855 3.320
22 HB2 ASP 5 2HB ASP 5 -4.701 -3.451 0.902
23 HB3 ASP 5 1HB ASP 5 -3.259 -4.416 0.650
24 HA PRO 6 HA PRO 6 0.228 -3.124 3.946
25 HB2 PRO 6 2HB PRO 6 0.836 -5.008 5.893
26 HB3 PRO 6 1HB PRO 6 0.160 -3.402 6.222
27 HG2 PRO 6 2HG PRO 6 -1.197 -6.040 6.112
28 HG3 PRO 6 1HG PRO 6 -1.504 -4.651 7.169
29 HD2 PRO 6 2HD PRO 6 -3.091 -5.246 5.036
30 HD3 PRO 6 1HD PRO 6 -2.836 -3.585 5.600
31 H ARG 7 H ARG 7 -1.218 -5.859 2.774
32 HA ARG 7 HA ARG 7 1.277 -7.305 2.210
33 HB2 ARG 7 2HB ARG 7 -0.199 -9.100 1.423
34 HB3 ARG 7 1HB ARG 7 -0.644 -8.597 3.047
35 HG2 ARG 7 2HG ARG 7 -2.737 -8.254 2.305
36 HG3 ARG 7 1HG ARG 7 -2.115 -6.920 1.332
37 HD2 ARG 7 2HD ARG 7 -2.201 -9.824 0.460
38 HD3 ARG 7 1HD ARG 7 -3.334 -8.576 -0.039
39 HE ARG 7 HE ARG 7 -0.427 -8.407 -0.621
40 HH11 ARG 7 1HH2 ARG 7 -3.743 -8.080 -1.566
41 HH12 ARG 7 2HH2 ARG 7 -3.341 -7.469 -3.130
42 HH21 ARG 7 1HH1 ARG 7 0.041 -7.616 -2.615
43 HH22 ARG 7 2HH1 ARG 7 -1.224 -7.214 -3.723
44 H ABA 8 H ABA 8 -0.468 -4.843 0.855
45 HA ABA 8 HA ABA 8 0.250 -5.642 -1.904
46 HB3 ABA 8 1HB ABA 8 -2.223 -4.800 -0.910
47 HB2 ABA 8 2HB ABA 8 -1.759 -4.909 -2.599
48 HG1 ABA 8 HG ABA 8 -0.909 -2.465 -2.390
49 H ASN 9 H ASN 9 0.306 -3.030 0.460
50 HA ASN 9 HA ASN 9 1.356 -0.935 -0.964
51 HB2 ASN 9 2HB ASN 9 1.954 -0.019 1.070
52 HB3 ASN 9 1HB ASN 9 0.837 -1.263 1.613
53 HD21 ASN 9 1HD2 ASN 9 4.313 -0.536 1.236
54 HD22 ASN 9 2HD2 ASN 9 4.828 -1.686 2.369
55 H TYR 10 H TYR 10 3.330 -0.314 -1.756
56 HA TYR 10 HA TYR 10 5.310 -2.420 -2.087
57 HB2 TYR 10 2HB TYR 10 6.082 0.026 -3.350
58 HB3 TYR 10 1HB TYR 10 5.592 -1.485 -4.098
59 HD1 TYR 10 1HD TYR 10 2.924 -1.930 -3.904
60 HD2 TYR 10 2HD TYR 10 4.845 1.911 -3.878
61 HE1 TYR 10 1HE TYR 10 0.804 -0.861 -4.637
62 HE2 TYR 10 2HE TYR 10 2.725 2.976 -4.615
63 HH TYR 10 HH TYR 10 0.667 2.370 -5.756
64 H ASP 11 H ASP 11 7.635 -1.053 -2.380
65 HA ASP 11 HA ASP 11 8.409 -0.572 0.351
66 HB2 ASP 11 2HB ASP 11 9.692 -1.315 -2.059
67 HB3 ASP 11 1HB ASP 11 10.435 0.193 -1.541
68 H HIS 12 H HIS 12 6.941 1.327 -1.870
69 HA HIS 12 HA HIS 12 7.466 3.751 -0.402
70 HB2 HIS 12 2HB HIS 12 8.155 4.994 -2.548
71 HB3 HIS 12 1HB HIS 12 9.376 3.991 -1.775
72 HD2 HIS 12 2HD HIS 12 6.925 1.806 -3.695
73 HE1 HIS 12 1HE HIS 12 10.208 2.425 -6.276
74 HE2 HIS 12 2HE HIS 12 8.108 1.040 -5.902
75 HA PRO 13 HA PRO 13 3.419 3.486 -2.622
76 HB2 PRO 13 2HB PRO 13 1.798 2.775 -0.575
77 HB3 PRO 13 1HB PRO 13 2.758 1.585 -1.474
78 HG2 PRO 13 2HG PRO 13 3.180 2.687 1.236
79 HG3 PRO 13 1HG PRO 13 3.620 1.106 0.575
80 HD2 PRO 13 2HD PRO 13 5.342 3.355 0.904
81 HD3 PRO 13 1HD PRO 13 5.720 1.832 0.072
82 H GLU 14 H GLU 14 1.541 4.884 -2.407
83 HA GLU 14 HA GLU 14 2.156 7.461 -1.314
84 HB2 GLU 14 2HB GLU 14 0.750 6.845 -3.399
85 HB3 GLU 14 1HB GLU 14 -0.571 6.603 -2.254
86 HG2 GLU 14 2HG GLU 14 -0.471 8.874 -1.509
87 HG3 GLU 14 1HG GLU 14 1.072 9.146 -2.312
88 H ILE 15 H ILE 15 2.117 5.467 0.733
89 HA ILE 15 HA ILE 15 0.953 4.789 2.673
90 HB ILE 15 HB ILE 15 1.048 7.790 2.964
91 HG12 ILE 15 2HG1 ILE 15 3.187 6.971 2.076
92 HG13 ILE 15 1HG1 ILE 15 3.370 7.428 3.766
93 HG21 ILE 15 1HG2 ILE 15 1.022 5.441 4.856
94 HG22 ILE 15 2HG2 ILE 15 0.010 6.887 4.883
95 HG23 ILE 15 3HG2 ILE 15 1.707 6.989 5.351
96 HD11 ILE 15 3HD1 ILE 15 4.419 5.354 3.767
97 HD12 ILE 15 1HD1 ILE 15 3.339 4.694 2.541
98 HD13 ILE 15 2HD1 ILE 15 2.775 4.888 4.200
99 H CYS 16 H CYS 16 -1.037 4.184 1.475
100 HA CYS 16 HA CYS 16 -3.336 4.025 1.568
101 HB2 CYS 16 2HB CYS 16 -2.754 5.658 3.788
102 HB3 CYS 16 1HB CYS 16 -4.059 6.453 2.915
103 HN1 NH2 17 2H CYS 16 -3.209 7.637 -0.284
104 HN2 NH2 17 1H CYS 16 -2.196 7.360 1.045