Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
607766 | 5lfh RC | 34017 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 1H1 ACE 1 -6.755 -3.739 5.175
2 H2 ACE 1 2H1 ACE 1 -8.409 -4.316 4.856
3 H3 ACE 1 3H1 ACE 1 -7.200 -4.360 3.551
4 H ARG 2 H ARG 2 -6.196 -2.188 3.192
5 HA ARG 2 HA ARG 2 -8.418 -0.217 2.589
6 HB2 ARG 2 1HB ARG 2 -7.495 0.511 4.784
7 HB3 ARG 2 2HB ARG 2 -5.889 0.685 4.127
8 HG2 ARG 2 1HG ARG 2 -6.369 2.750 3.114
9 HG3 ARG 2 2HG ARG 2 -7.962 2.255 2.590
10 HD2 ARG 2 1HD ARG 2 -8.423 3.991 4.129
11 HD3 ARG 2 2HD ARG 2 -8.832 2.530 4.969
12 HE ARG 2 HE ARG 2 -7.075 2.908 6.574
13 HH11 ARG 2 1HH1 ARG 2 -5.021 5.592 6.883
14 HH12 ARG 2 2HH1 ARG 2 -5.787 4.127 7.644
15 HH21 ARG 2 1HH2 ARG 2 -5.461 6.141 4.871
16 HH22 ARG 2 2HH2 ARG 2 -6.613 5.087 3.913
17 H ALA 3 H ALA 3 -5.663 1.391 1.787
18 HA ALA 3 HA ALA 3 -5.620 0.313 -1.062
19 HB1 ALA 3 1HB ALA 3 -4.139 2.715 0.222
20 HB2 ALA 3 2HB ALA 3 -4.296 2.362 -1.513
21 HB3 ALA 3 3HB ALA 3 -5.735 2.802 -0.578
22 H DCY 4 H CYS 4 -3.982 -0.635 1.638
23 HA DCY 4 HA CYS 4 -1.754 -1.998 0.400
24 HB2 DCY 4 2HB CYS 4 -1.325 -1.315 3.292
25 HB3 DCY 4 1HB CYS 4 -2.967 -1.859 3.028
26 H ARG 5 H ARG 5 -1.756 1.272 1.726
27 HA ARG 5 HA ARG 5 1.141 1.762 0.899
28 HB2 ARG 5 1HB ARG 5 -1.102 3.592 1.946
29 HB3 ARG 5 2HB ARG 5 0.558 4.121 2.064
30 HG2 ARG 5 1HG ARG 5 0.849 3.747 -0.459
31 HG3 ARG 5 2HG ARG 5 -0.865 3.347 -0.548
32 HD2 ARG 5 1HD ARG 5 -1.213 5.748 0.660
33 HD3 ARG 5 2HD ARG 5 0.486 6.017 0.233
34 HE ARG 5 HE ARG 5 -1.238 5.079 -2.064
35 HH11 ARG 5 1HH1 ARG 5 -1.594 8.140 -3.471
36 HH12 ARG 5 2HH1 ARG 5 -1.879 6.346 -3.562
37 HH21 ARG 5 1HH2 ARG 5 -0.604 9.011 -1.800
38 HH22 ARG 5 2HH2 ARG 5 -0.058 7.923 -0.436
39 H PHE 6 H PHE 6 -0.677 1.816 3.959
40 HA PHE 6 HA PHE 6 1.954 1.956 5.523
41 HB2 PHE 6 1HB PHE 6 -0.891 2.365 6.628
42 HB3 PHE 6 2HB PHE 6 0.605 2.631 7.473
43 HD1 PHE 6 1HD PHE 6 -1.803 4.108 5.165
44 HD2 PHE 6 2HD PHE 6 2.209 4.522 6.657
45 HE1 PHE 6 1HE PHE 6 -1.682 6.387 4.233
46 HE2 PHE 6 2HE PHE 6 2.310 6.800 5.728
47 HZ PHE 6 HZ PHE 6 0.373 7.732 4.509
48 H PHE 7 H PHE 7 -1.047 -0.012 5.511
49 HA PHE 7 HA PHE 7 0.148 -2.023 7.388
50 HB2 PHE 7 1HB PHE 7 -2.491 -2.335 5.900
51 HB3 PHE 7 2HB PHE 7 -2.037 -3.025 7.427
52 HD1 PHE 7 1HD PHE 7 -1.083 -0.382 8.873
53 HD2 PHE 7 2HD PHE 7 -4.549 -1.306 6.494
54 HE1 PHE 7 1HE PHE 7 -2.300 1.489 9.902
55 HE2 PHE 7 2HE PHE 7 -5.759 0.548 7.554
56 HZ PHE 7 HZ PHE 7 -4.633 1.963 9.248
57 H CYS 8 H CYS 8 1.462 -1.824 4.736
58 HA CYS 8 HA CYS 8 1.268 -4.749 3.768
59 HB2 CYS 8 1HB CYS 8 1.756 -2.127 2.215
60 HB3 CYS 8 2HB CYS 8 2.533 -3.595 1.655
Start of MODEL 2
1 H1 ACE 1 1H1 ACE 1 -7.007 -4.279 3.584
2 H2 ACE 1 2H1 ACE 1 -7.071 -3.741 5.292
3 H3 ACE 1 3H1 ACE 1 -8.526 -4.390 4.499
4 H ARG 2 H ARG 2 -6.169 -2.149 3.284
5 HA ARG 2 HA ARG 2 -8.341 -0.044 2.768
6 HB2 ARG 2 1HB ARG 2 -7.033 0.439 4.932
7 HB3 ARG 2 2HB ARG 2 -5.573 0.550 3.992
8 HG2 ARG 2 1HG ARG 2 -6.019 2.782 4.090
9 HG3 ARG 2 2HG ARG 2 -6.975 2.527 2.657
10 HD2 ARG 2 1HD ARG 2 -8.065 2.567 5.553
11 HD3 ARG 2 2HD ARG 2 -8.036 3.954 4.450
12 HE ARG 2 HE ARG 2 -9.444 1.804 3.071
13 HH11 ARG 2 1HH1 ARG 2 -12.585 2.593 4.081
14 HH12 ARG 2 2HH1 ARG 2 -11.508 1.685 2.929
15 HH21 ARG 2 1HH2 ARG 2 -11.766 3.797 5.640
16 HH22 ARG 2 2HH2 ARG 2 -9.946 3.907 5.791
17 H ALA 3 H ALA 3 -5.517 1.336 1.816
18 HA ALA 3 HA ALA 3 -5.635 0.240 -1.044
19 HB1 ALA 3 1HB ALA 3 -4.159 2.690 0.159
20 HB2 ALA 3 2HB ALA 3 -4.304 2.288 -1.564
21 HB3 ALA 3 3HB ALA 3 -5.751 2.738 -0.647
22 H DCY 4 H CYS 4 -3.981 -0.701 1.624
23 HA DCY 4 HA CYS 4 -1.719 -2.023 0.405
24 HB2 DCY 4 2HB CYS 4 -1.277 -1.335 3.280
25 HB3 DCY 4 1HB CYS 4 -2.932 -1.847 3.051
26 H ARG 5 H ARG 5 -1.780 1.247 1.745
27 HA ARG 5 HA ARG 5 1.103 1.788 0.905
28 HB2 ARG 5 1HB ARG 5 -1.165 3.580 1.961
29 HB3 ARG 5 2HB ARG 5 0.485 4.127 2.107
30 HG2 ARG 5 1HG ARG 5 0.816 3.792 -0.416
31 HG3 ARG 5 2HG ARG 5 -0.889 3.363 -0.534
32 HD2 ARG 5 1HD ARG 5 -1.289 5.747 0.700
33 HD3 ARG 5 2HD ARG 5 0.410 6.049 0.286
34 HE ARG 5 HE ARG 5 -1.292 5.099 -2.025
35 HH11 ARG 5 1HH1 ARG 5 -1.671 8.162 -3.423
36 HH12 ARG 5 2HH1 ARG 5 -1.936 6.364 -3.521
37 HH21 ARG 5 1HH2 ARG 5 -0.701 9.036 -1.740
38 HH22 ARG 5 2HH2 ARG 5 -0.152 7.947 -0.377
39 H PHE 6 H PHE 6 -0.694 1.884 3.988
40 HA PHE 6 HA PHE 6 1.948 1.952 5.517
41 HB2 PHE 6 1HB PHE 6 -0.877 2.343 6.673
42 HB3 PHE 6 2HB PHE 6 0.635 2.619 7.488
43 HD1 PHE 6 1HD PHE 6 -1.885 4.139 5.389
44 HD2 PHE 6 2HD PHE 6 2.257 4.473 6.498
45 HE1 PHE 6 1HE PHE 6 -1.812 6.417 4.460
46 HE2 PHE 6 2HE PHE 6 2.313 6.753 5.565
47 HZ PHE 6 HZ PHE 6 0.286 7.724 4.537
48 H PHE 7 H PHE 7 -1.046 -0.025 5.516
49 HA PHE 7 HA PHE 7 0.162 -2.034 7.381
50 HB2 PHE 7 1HB PHE 7 -2.468 -2.369 5.882
51 HB3 PHE 7 2HB PHE 7 -2.009 -3.067 7.407
52 HD1 PHE 7 1HD PHE 7 -4.551 -1.407 6.513
53 HD2 PHE 7 2HD PHE 7 -1.075 -0.385 8.838
54 HE1 PHE 7 1HE PHE 7 -5.784 0.440 7.570
55 HE2 PHE 7 2HE PHE 7 -2.317 1.472 9.862
56 HZ PHE 7 HZ PHE 7 -4.667 1.895 9.225
57 H CYS 8 H CYS 8 1.396 -1.801 4.632
58 HA CYS 8 HA CYS 8 1.312 -4.772 3.782
59 HB2 CYS 8 1HB CYS 8 1.787 -2.195 2.149
60 HB3 CYS 8 2HB CYS 8 2.534 -3.699 1.642
Start of MODEL 3
1 H1 ACE 1 1H1 ACE 1 -6.619 -4.066 4.102
2 H2 ACE 1 2H1 ACE 1 -7.728 -3.847 5.480
3 H3 ACE 1 3H1 ACE 1 -8.340 -4.492 3.940
4 H ARG 2 H ARG 2 -6.184 -2.179 3.226
5 HA ARG 2 HA ARG 2 -8.341 -0.062 2.730
6 HB2 ARG 2 1HB ARG 2 -7.001 0.428 4.890
7 HB3 ARG 2 2HB ARG 2 -5.563 0.559 3.923
8 HG2 ARG 2 1HG ARG 2 -6.021 2.788 3.945
9 HG3 ARG 2 2HG ARG 2 -7.101 2.495 2.609
10 HD2 ARG 2 1HD ARG 2 -7.911 2.585 5.591
11 HD3 ARG 2 2HD ARG 2 -8.040 3.936 4.452
12 HE ARG 2 HE ARG 2 -9.502 1.771 3.221
13 HH11 ARG 2 1HH1 ARG 2 -12.531 2.242 4.668
14 HH12 ARG 2 2HH1 ARG 2 -11.548 1.490 3.335
15 HH21 ARG 2 1HH2 ARG 2 -11.608 3.423 6.185
16 HH22 ARG 2 2HH2 ARG 2 -9.797 3.680 6.109
17 H ALA 3 H ALA 3 -5.627 1.396 1.731
18 HA ALA 3 HA ALA 3 -5.650 0.239 -1.098
19 HB1 ALA 3 1HB ALA 3 -5.767 2.734 -0.750
20 HB2 ALA 3 2HB ALA 3 -4.214 2.703 0.132
21 HB3 ALA 3 3HB ALA 3 -4.277 2.281 -1.592
22 H DCY 4 H CYS 4 -4.015 -0.615 1.640
23 HA DCY 4 HA CYS 4 -1.790 -2.010 0.427
24 HB2 DCY 4 2HB CYS 4 -1.412 -1.285 3.326
25 HB3 DCY 4 1HB CYS 4 -3.026 -1.890 3.022
26 H ARG 5 H ARG 5 -1.778 1.262 1.768
27 HA ARG 5 HA ARG 5 1.105 1.746 0.900
28 HB2 ARG 5 1HB ARG 5 -1.119 3.582 1.979
29 HB3 ARG 5 2HB ARG 5 0.541 4.110 2.057
30 HG2 ARG 5 1HG ARG 5 0.784 3.720 -0.467
31 HG3 ARG 5 2HG ARG 5 -0.930 3.308 -0.522
32 HD2 ARG 5 1HD ARG 5 -1.286 5.712 0.655
33 HD3 ARG 5 2HD ARG 5 0.412 5.996 0.226
34 HE ARG 5 HE ARG 5 -1.303 5.024 -2.064
35 HH11 ARG 5 1HH1 ARG 5 -1.687 8.072 -3.495
36 HH12 ARG 5 2HH1 ARG 5 -1.955 6.274 -3.573
37 HH21 ARG 5 1HH2 ARG 5 -0.709 8.964 -1.827
38 HH22 ARG 5 2HH2 ARG 5 -0.155 7.891 -0.456
39 H PHE 6 H PHE 6 -0.655 1.763 3.990
40 HA PHE 6 HA PHE 6 2.006 1.905 5.509
41 HB2 PHE 6 1HB PHE 6 -0.808 2.340 6.676
42 HB3 PHE 6 2HB PHE 6 0.714 2.635 7.466
43 HD1 PHE 6 1HD PHE 6 -1.843 4.114 5.392
44 HD2 PHE 6 2HD PHE 6 2.329 4.457 6.384
45 HE1 PHE 6 1HE PHE 6 -1.789 6.374 4.416
46 HE2 PHE 6 2HE PHE 6 2.365 6.718 5.404
47 HZ PHE 6 HZ PHE 6 0.313 7.676 4.411
48 H PHE 7 H PHE 7 -1.037 0.027 5.640
49 HA PHE 7 HA PHE 7 0.054 -2.049 7.432
50 HB2 PHE 7 1HB PHE 7 -2.460 -2.347 5.695
51 HB3 PHE 7 2HB PHE 7 -2.120 -3.106 7.215
52 HD1 PHE 7 1HD PHE 7 -3.522 -0.152 5.596
53 HD2 PHE 7 2HD PHE 7 -2.170 -1.650 9.395
54 HE1 PHE 7 1HE PHE 7 -4.589 1.752 6.734
55 HE2 PHE 7 2HE PHE 7 -3.265 0.253 10.520
56 HZ PHE 7 HZ PHE 7 -4.456 1.962 9.192
57 H CYS 8 H CYS 8 1.330 -1.754 4.609
58 HA CYS 8 HA CYS 8 1.338 -4.717 3.744
59 HB2 CYS 8 1HB CYS 8 1.753 -2.072 2.195
60 HB3 CYS 8 2HB CYS 8 2.526 -3.532 1.620
Start of MODEL 4
1 H1 ACE 1 1H1 ACE 1 -6.597 -4.086 4.087
2 H2 ACE 1 2H1 ACE 1 -7.605 -3.833 5.539
3 H3 ACE 1 3H1 ACE 1 -8.325 -4.514 4.061
4 H ARG 2 H ARG 2 -6.208 -2.192 3.193
5 HA ARG 2 HA ARG 2 -8.420 -0.177 2.622
6 HB2 ARG 2 1HB ARG 2 -7.374 0.484 4.812
7 HB3 ARG 2 2HB ARG 2 -5.804 0.608 4.071
8 HG2 ARG 2 1HG ARG 2 -6.193 2.765 3.395
9 HG3 ARG 2 2HG ARG 2 -7.644 2.320 2.528
10 HD2 ARG 2 1HD ARG 2 -8.359 3.976 4.097
11 HD3 ARG 2 2HD ARG 2 -9.001 2.455 4.646
12 HE ARG 2 HE ARG 2 -7.703 2.594 6.657
13 HH11 ARG 2 1HH1 ARG 2 -5.525 4.984 7.692
14 HH12 ARG 2 2HH1 ARG 2 -6.600 3.573 8.107
15 HH21 ARG 2 1HH2 ARG 2 -5.410 5.722 5.696
16 HH22 ARG 2 2HH2 ARG 2 -6.410 4.896 4.402
17 H ALA 3 H ALA 3 -5.685 1.390 1.759
18 HA ALA 3 HA ALA 3 -5.633 0.275 -1.076
19 HB1 ALA 3 1HB ALA 3 -5.776 2.764 -0.647
20 HB2 ALA 3 2HB ALA 3 -4.201 2.715 0.195
21 HB3 ALA 3 3HB ALA 3 -4.306 2.335 -1.537
22 H DCY 4 H CYS 4 -3.987 -0.613 1.647
23 HA DCY 4 HA CYS 4 -1.768 -1.983 0.401
24 HB2 DCY 4 2HB CYS 4 -1.357 -1.307 3.304
25 HB3 DCY 4 1HB CYS 4 -2.983 -1.882 3.013
26 H ARG 5 H ARG 5 -1.752 1.288 1.718
27 HA ARG 5 HA ARG 5 1.145 1.760 0.892
28 HB2 ARG 5 1HB ARG 5 -1.076 3.601 1.971
29 HB3 ARG 5 2HB ARG 5 0.587 4.125 2.027
30 HG2 ARG 5 1HG ARG 5 0.794 3.719 -0.501
31 HG3 ARG 5 2HG ARG 5 -0.925 3.331 -0.529
32 HD2 ARG 5 1HD ARG 5 -1.232 5.739 0.651
33 HD3 ARG 5 2HD ARG 5 0.463 6.000 0.201
34 HE ARG 5 HE ARG 5 -1.287 5.058 -2.072
35 HH11 ARG 5 1HH1 ARG 5 -1.665 8.119 -3.479
36 HH12 ARG 5 2HH1 ARG 5 -1.948 6.325 -3.564
37 HH21 ARG 5 1HH2 ARG 5 -0.658 8.993 -1.818
38 HH22 ARG 5 2HH2 ARG 5 -0.095 7.906 -0.460
39 H PHE 6 H PHE 6 -0.642 1.672 3.949
40 HA PHE 6 HA PHE 6 1.989 1.935 5.520
41 HB2 PHE 6 1HB PHE 6 -0.872 2.335 6.599
42 HB3 PHE 6 2HB PHE 6 0.614 2.613 7.459
43 HD1 PHE 6 1HD PHE 6 2.157 4.558 6.766
44 HD2 PHE 6 2HD PHE 6 -1.731 4.019 5.009
45 HE1 PHE 6 1HE PHE 6 2.242 6.844 5.853
46 HE2 PHE 6 2HE PHE 6 -1.625 6.304 4.093
47 HZ PHE 6 HZ PHE 6 0.362 7.717 4.508
48 H PHE 7 H PHE 7 -1.045 0.035 5.657
49 HA PHE 7 HA PHE 7 0.069 -2.034 7.437
50 HB2 PHE 7 1HB PHE 7 -2.465 -2.354 5.737
51 HB3 PHE 7 2HB PHE 7 -2.107 -3.086 7.266
52 HD1 PHE 7 1HD PHE 7 -3.580 -0.202 5.615
53 HD2 PHE 7 2HD PHE 7 -2.082 -1.551 9.415
54 HE1 PHE 7 1HE PHE 7 -4.621 1.731 6.717
55 HE2 PHE 7 2HE PHE 7 -3.152 0.381 10.510
56 HZ PHE 7 HZ PHE 7 -4.401 2.033 9.169
57 H CYS 8 H CYS 8 1.302 -1.757 4.571
58 HA CYS 8 HA CYS 8 1.280 -4.729 3.750
59 HB2 CYS 8 1HB CYS 8 1.816 -2.144 2.153
60 HB3 CYS 8 2HB CYS 8 2.549 -3.656 1.642
Start of MODEL 5
1 H1 ACE 1 1H1 ACE 1 -6.888 -4.250 3.683
2 H2 ACE 1 2H1 ACE 1 -7.186 -3.753 5.377
3 H3 ACE 1 3H1 ACE 1 -8.506 -4.431 4.394
4 H ARG 2 H ARG 2 -6.175 -2.179 3.243
5 HA ARG 2 HA ARG 2 -8.349 -0.089 2.700
6 HB2 ARG 2 1HB ARG 2 -7.100 0.441 4.880
7 HB3 ARG 2 2HB ARG 2 -5.615 0.556 3.984
8 HG2 ARG 2 1HG ARG 2 -6.021 2.772 3.792
9 HG3 ARG 2 2HG ARG 2 -7.227 2.449 2.580
10 HD2 ARG 2 1HD ARG 2 -7.803 2.644 5.617
11 HD3 ARG 2 2HD ARG 2 -7.922 3.992 4.470
12 HE ARG 2 HE ARG 2 -9.550 1.808 3.411
13 HH11 ARG 2 1HH1 ARG 2 -12.506 2.796 4.749
14 HH12 ARG 2 2HH1 ARG 2 -11.617 1.805 3.508
15 HH21 ARG 2 1HH2 ARG 2 -11.447 4.004 6.155
16 HH22 ARG 2 2HH2 ARG 2 -9.620 4.032 6.081
17 H ALA 3 H ALA 3 -5.629 1.399 1.757
18 HA ALA 3 HA ALA 3 -5.618 0.273 -1.080
19 HB1 ALA 3 1HB ALA 3 -4.226 2.321 -1.523
20 HB2 ALA 3 2HB ALA 3 -5.740 2.754 -0.712
21 HB3 ALA 3 3HB ALA 3 -4.208 2.722 0.207
22 H DCY 4 H CYS 4 -3.992 -0.616 1.661
23 HA DCY 4 HA CYS 4 -1.755 -2.001 0.436
24 HB2 DCY 4 2HB CYS 4 -1.363 -1.312 3.333
25 HB3 DCY 4 1HB CYS 4 -2.991 -1.883 3.046
26 H ARG 5 H ARG 5 -1.804 1.259 1.768
27 HA ARG 5 HA ARG 5 1.045 1.792 0.857
28 HB2 ARG 5 1HB ARG 5 -1.417 3.435 1.195
29 HB3 ARG 5 2HB ARG 5 -0.182 4.112 2.201
30 HG2 ARG 5 1HG ARG 5 1.419 4.114 0.214
31 HG3 ARG 5 2HG ARG 5 0.137 3.537 -0.823
32 HD2 ARG 5 1HD ARG 5 -0.321 6.088 0.876
33 HD3 ARG 5 2HD ARG 5 0.766 6.163 -0.513
34 HE ARG 5 HE ARG 5 -1.725 4.914 -1.412
35 HH11 ARG 5 1HH1 ARG 5 -2.949 7.762 -2.823
36 HH12 ARG 5 2HH1 ARG 5 -2.970 5.945 -2.739
37 HH21 ARG 5 1HH2 ARG 5 -1.643 8.912 -1.599
38 HH22 ARG 5 2HH2 ARG 5 -0.533 8.032 -0.441
39 H PHE 6 H PHE 6 -0.451 1.123 3.805
40 HA PHE 6 HA PHE 6 2.038 1.793 5.455
41 HB2 PHE 6 1HB PHE 6 0.151 2.386 7.361
42 HB3 PHE 6 2HB PHE 6 1.009 3.531 6.404
43 HD1 PHE 6 1HD PHE 6 -2.287 1.704 6.566
44 HD2 PHE 6 2HD PHE 6 -0.144 5.047 4.930
45 HE1 PHE 6 1HE PHE 6 -4.376 2.575 5.602
46 HE2 PHE 6 2HE PHE 6 -2.237 5.916 3.973
47 HZ PHE 6 HZ PHE 6 -4.352 4.682 4.289
48 H PHE 7 H PHE 7 -1.086 -0.004 5.664
49 HA PHE 7 HA PHE 7 0.112 -2.071 7.443
50 HB2 PHE 7 1HB PHE 7 -2.488 -2.388 5.879
51 HB3 PHE 7 2HB PHE 7 -2.054 -3.132 7.387
52 HD1 PHE 7 1HD PHE 7 -1.223 -0.730 9.096
53 HD2 PHE 7 2HD PHE 7 -4.485 -1.207 6.327
54 HE1 PHE 7 1HE PHE 7 -2.443 1.098 10.200
55 HE2 PHE 7 2HE PHE 7 -5.696 0.610 7.459
56 HZ PHE 7 HZ PHE 7 -4.671 1.779 9.381
57 H CYS 8 H CYS 8 1.400 -1.790 4.716
58 HA CYS 8 HA CYS 8 1.293 -4.727 3.775
59 HB2 CYS 8 1HB CYS 8 1.780 -2.111 2.211
60 HB3 CYS 8 2HB CYS 8 2.542 -3.597 1.668
Start of MODEL 6
1 H1 ACE 1 1H1 ACE 1 -8.494 -4.419 4.487
2 H2 ACE 1 2H1 ACE 1 -6.966 -4.293 3.588
3 H3 ACE 1 3H1 ACE 1 -7.052 -3.759 5.297
4 H ARG 2 H ARG 2 -6.160 -2.170 3.258
5 HA ARG 2 HA ARG 2 -8.350 -0.098 2.707
6 HB2 ARG 2 1HB ARG 2 -7.105 0.440 4.892
7 HB3 ARG 2 2HB ARG 2 -5.624 0.571 3.990
8 HG2 ARG 2 1HG ARG 2 -6.073 2.790 3.874
9 HG3 ARG 2 2HG ARG 2 -7.190 2.457 2.582
10 HD2 ARG 2 1HD ARG 2 -7.960 2.621 5.578
11 HD3 ARG 2 2HD ARG 2 -8.037 3.965 4.425
12 HE ARG 2 HE ARG 2 -9.555 1.671 3.347
13 HH11 ARG 2 1HH1 ARG 2 -12.605 2.779 4.335
14 HH12 ARG 2 2HH1 ARG 2 -11.623 1.672 3.275
15 HH21 ARG 2 1HH2 ARG 2 -11.659 4.124 5.694
16 HH22 ARG 2 2HH2 ARG 2 -9.832 4.147 5.771
17 H ALA 3 H ALA 3 -5.590 1.375 1.789
18 HA ALA 3 HA ALA 3 -5.617 0.277 -1.063
19 HB1 ALA 3 1HB ALA 3 -4.267 2.331 -1.527
20 HB2 ALA 3 2HB ALA 3 -5.739 2.767 -0.642
21 HB3 ALA 3 3HB ALA 3 -4.169 2.712 0.208
22 H DCY 4 H CYS 4 -4.000 -0.668 1.637
23 HA DCY 4 HA CYS 4 -1.726 -2.006 0.451
24 HB2 DCY 4 2HB CYS 4 -1.298 -1.296 3.321
25 HB3 DCY 4 1HB CYS 4 -2.958 -1.795 3.091
26 H ARG 5 H ARG 5 -1.817 1.263 1.774
27 HA ARG 5 HA ARG 5 1.027 1.822 0.855
28 HB2 ARG 5 1HB ARG 5 -1.434 3.448 1.167
29 HB3 ARG 5 2HB ARG 5 -0.239 4.118 2.228
30 HG2 ARG 5 1HG ARG 5 1.427 4.162 0.288
31 HG3 ARG 5 2HG ARG 5 0.176 3.597 -0.796
32 HD2 ARG 5 1HD ARG 5 -0.292 6.134 0.926
33 HD3 ARG 5 2HD ARG 5 0.778 6.203 -0.479
34 HE ARG 5 HE ARG 5 -1.757 4.965 -1.308
35 HH11 ARG 5 1HH1 ARG 5 -2.932 7.800 -2.788
36 HH12 ARG 5 2HH1 ARG 5 -3.005 5.987 -2.641
37 HH21 ARG 5 1HH2 ARG 5 -1.563 8.950 -1.635
38 HH22 ARG 5 2HH2 ARG 5 -0.455 8.075 -0.471
39 H PHE 6 H PHE 6 -0.508 1.220 3.823
40 HA PHE 6 HA PHE 6 2.012 1.838 5.455
41 HB2 PHE 6 1HB PHE 6 0.115 2.357 7.383
42 HB3 PHE 6 2HB PHE 6 0.971 3.533 6.464
43 HD1 PHE 6 1HD PHE 6 -2.312 1.684 6.559
44 HD2 PHE 6 2HD PHE 6 -0.183 5.079 5.014
45 HE1 PHE 6 1HE PHE 6 -4.399 2.553 5.594
46 HE2 PHE 6 2HE PHE 6 -2.276 5.948 4.053
47 HZ PHE 6 HZ PHE 6 -4.382 4.687 4.320
48 H PHE 7 H PHE 7 -1.087 -0.001 5.661
49 HA PHE 7 HA PHE 7 0.133 -2.059 7.428
50 HB2 PHE 7 1HB PHE 7 -2.473 -2.392 5.874
51 HB3 PHE 7 2HB PHE 7 -2.029 -3.130 7.382
52 HD1 PHE 7 1HD PHE 7 -1.206 -0.705 9.074
53 HD2 PHE 7 2HD PHE 7 -4.484 -1.246 6.338
54 HE1 PHE 7 1HE PHE 7 -2.444 1.109 10.182
55 HE2 PHE 7 2HE PHE 7 -5.715 0.557 7.471
56 HZ PHE 7 HZ PHE 7 -4.691 1.749 9.379
57 H CYS 8 H CYS 8 1.417 -1.795 4.691
58 HA CYS 8 HA CYS 8 1.272 -4.745 3.779
59 HB2 CYS 8 1HB CYS 8 1.727 -2.160 2.179
60 HB3 CYS 8 2HB CYS 8 2.480 -3.650 1.640
Start of MODEL 7
1 H1 ACE 1 1H1 ACE 1 -7.048 -4.690 4.600
2 H2 ACE 1 2H1 ACE 1 -5.794 -4.558 3.347
3 H3 ACE 1 3H1 ACE 1 -5.657 -3.613 4.860
4 H ARG 2 H ARG 2 -5.736 -1.635 3.957
5 HA ARG 2 HA ARG 2 -8.344 -0.670 2.659
6 HB2 ARG 2 1HB ARG 2 -6.264 0.579 4.519
7 HB3 ARG 2 2HB ARG 2 -7.020 1.661 3.406
8 HG2 ARG 2 1HG ARG 2 -8.671 -0.159 5.249
9 HG3 ARG 2 2HG ARG 2 -8.106 1.427 5.712
10 HD2 ARG 2 1HD ARG 2 -10.063 0.780 3.417
11 HD3 ARG 2 2HD ARG 2 -10.492 1.526 4.926
12 HE ARG 2 HE ARG 2 -9.387 2.890 2.527
13 HH11 ARG 2 1HH1 ARG 2 -8.793 5.889 3.990
14 HH12 ARG 2 2HH1 ARG 2 -8.927 4.906 2.466
15 HH21 ARG 2 1HH2 ARG 2 -9.103 4.999 5.907
16 HH22 ARG 2 2HH2 ARG 2 -9.510 3.215 5.975
17 H ALA 3 H ALA 3 -5.735 1.454 1.977
18 HA ALA 3 HA ALA 3 -5.671 0.682 -0.958
19 HB1 ALA 3 1HB ALA 3 -5.685 3.104 -0.226
20 HB2 ALA 3 2HB ALA 3 -4.138 2.861 0.635
21 HB3 ALA 3 3HB ALA 3 -4.215 2.706 -1.131
22 H DCY 4 H CYS 4 -4.134 -0.599 1.667
23 HA DCY 4 HA CYS 4 -1.966 -2.004 0.458
24 HB2 DCY 4 2HB CYS 4 -1.506 -1.258 3.346
25 HB3 DCY 4 1HB CYS 4 -3.155 -1.776 3.078
26 H ARG 5 H ARG 5 -1.798 1.275 1.706
27 HA ARG 5 HA ARG 5 1.068 1.638 0.750
28 HB2 ARG 5 1HB ARG 5 -1.320 3.446 1.363
29 HB3 ARG 5 2HB ARG 5 0.159 4.094 1.924
30 HG2 ARG 5 1HG ARG 5 0.842 3.246 -0.755
31 HG3 ARG 5 2HG ARG 5 -0.813 3.763 -0.871
32 HD2 ARG 5 1HD ARG 5 0.549 5.694 -1.346
33 HD3 ARG 5 2HD ARG 5 -0.156 5.999 0.256
34 HE ARG 5 HE ARG 5 2.345 4.656 0.778
35 HH11 ARG 5 1HH1 ARG 5 4.515 7.264 0.665
36 HH12 ARG 5 2HH1 ARG 5 4.176 5.541 1.149
37 HH21 ARG 5 1HH2 ARG 5 3.028 8.435 -0.329
38 HH22 ARG 5 2HH2 ARG 5 1.406 7.665 -0.683
39 H PHE 6 H PHE 6 -0.320 0.997 3.709
40 HA PHE 6 HA PHE 6 2.157 1.730 5.323
41 HB2 PHE 6 1HB PHE 6 0.397 2.615 7.181
42 HB3 PHE 6 2HB PHE 6 1.217 3.628 6.056
43 HD1 PHE 6 1HD PHE 6 -2.119 1.990 6.679
44 HD2 PHE 6 2HD PHE 6 0.026 4.967 4.444
45 HE1 PHE 6 1HE PHE 6 -4.242 2.843 5.762
46 HE2 PHE 6 2HE PHE 6 -2.099 5.820 3.544
47 HZ PHE 6 HZ PHE 6 -4.234 4.754 4.185
48 H PHE 7 H PHE 7 -1.088 0.172 5.677
49 HA PHE 7 HA PHE 7 0.040 -1.919 7.494
50 HB2 PHE 7 1HB PHE 7 -2.643 -2.061 6.043
51 HB3 PHE 7 2HB PHE 7 -2.199 -2.842 7.531
52 HD1 PHE 7 1HD PHE 7 -4.530 -0.747 6.602
53 HD2 PHE 7 2HD PHE 7 -1.096 -0.502 9.185
54 HE1 PHE 7 1HE PHE 7 -5.548 1.147 7.797
55 HE2 PHE 7 2HE PHE 7 -2.123 1.401 10.353
56 HZ PHE 7 HZ PHE 7 -4.342 2.236 9.657
57 H CYS 8 H CYS 8 1.314 -1.811 4.815
58 HA CYS 8 HA CYS 8 0.977 -4.741 3.905
59 HB2 CYS 8 1HB CYS 8 1.547 -2.176 2.291
60 HB3 CYS 8 2HB CYS 8 2.292 -3.672 1.764
Start of MODEL 8
1 H1 ACE 1 1H1 ACE 1 -5.315 -4.041 3.655
2 H2 ACE 1 2H1 ACE 1 -6.212 -3.769 5.186
3 H3 ACE 1 3H1 ACE 1 -6.820 -4.930 3.985
4 H ARG 2 H ARG 2 -5.700 -1.612 3.951
5 HA ARG 2 HA ARG 2 -8.307 -0.695 2.637
6 HB2 ARG 2 1HB ARG 2 -6.333 0.645 4.525
7 HB3 ARG 2 2HB ARG 2 -7.103 1.696 3.378
8 HG2 ARG 2 1HG ARG 2 -8.861 -0.218 5.007
9 HG3 ARG 2 2HG ARG 2 -8.218 1.226 5.742
10 HD2 ARG 2 1HD ARG 2 -10.510 1.690 4.906
11 HD3 ARG 2 2HD ARG 2 -9.319 2.725 4.178
12 HE ARG 2 HE ARG 2 -9.810 1.855 2.006
13 HH11 ARG 2 1HH1 ARG 2 -11.678 -0.782 1.003
14 HH12 ARG 2 2HH1 ARG 2 -10.680 0.670 0.555
15 HH21 ARG 2 1HH2 ARG 2 -11.954 -1.347 3.040
16 HH22 ARG 2 2HH2 ARG 2 -11.168 -0.323 4.338
17 H ALA 3 H ALA 3 -5.709 1.458 1.963
18 HA ALA 3 HA ALA 3 -5.647 0.641 -0.965
19 HB1 ALA 3 1HB ALA 3 -5.665 3.068 -0.306
20 HB2 ALA 3 2HB ALA 3 -4.147 2.856 0.610
21 HB3 ALA 3 3HB ALA 3 -4.166 2.660 -1.154
22 H DCY 4 H CYS 4 -4.120 -0.608 1.683
23 HA DCY 4 HA CYS 4 -1.918 -2.012 0.509
24 HB2 DCY 4 2HB CYS 4 -1.429 -1.265 3.366
25 HB3 DCY 4 1HB CYS 4 -3.109 -1.684 3.156
26 H ARG 5 H ARG 5 -1.834 1.292 1.682
27 HA ARG 5 HA ARG 5 1.026 1.710 0.753
28 HB2 ARG 5 1HB ARG 5 -1.396 3.466 1.384
29 HB3 ARG 5 2HB ARG 5 0.067 4.139 1.951
30 HG2 ARG 5 1HG ARG 5 0.755 3.310 -0.743
31 HG3 ARG 5 2HG ARG 5 -0.903 3.822 -0.842
32 HD2 ARG 5 1HD ARG 5 0.449 5.759 -1.312
33 HD3 ARG 5 2HD ARG 5 -0.247 6.050 0.296
34 HE ARG 5 HE ARG 5 2.255 4.718 0.809
35 HH11 ARG 5 1HH1 ARG 5 4.432 7.321 0.665
36 HH12 ARG 5 2HH1 ARG 5 4.092 5.602 1.164
37 HH21 ARG 5 1HH2 ARG 5 2.941 8.488 -0.331
38 HH22 ARG 5 2HH2 ARG 5 1.314 7.718 -0.668
39 H PHE 6 H PHE 6 -0.372 1.064 3.707
40 HA PHE 6 HA PHE 6 2.104 1.810 5.330
41 HB2 PHE 6 1HB PHE 6 0.249 2.548 7.202
42 HB3 PHE 6 2HB PHE 6 1.104 3.625 6.167
43 HD1 PHE 6 1HD PHE 6 -0.071 5.129 4.718
44 HD2 PHE 6 2HD PHE 6 -2.206 1.812 6.418
45 HE1 PHE 6 1HE PHE 6 -2.174 5.988 3.771
46 HE2 PHE 6 2HE PHE 6 -4.301 2.666 5.447
47 HZ PHE 6 HZ PHE 6 -4.286 4.753 4.114
48 H PHE 7 H PHE 7 -1.083 0.145 5.652
49 HA PHE 7 HA PHE 7 0.080 -1.908 7.481
50 HB2 PHE 7 1HB PHE 7 -2.612 -2.098 6.052
51 HB3 PHE 7 2HB PHE 7 -2.154 -2.838 7.555
52 HD1 PHE 7 1HD PHE 7 -4.537 -0.846 6.625
53 HD2 PHE 7 2HD PHE 7 -1.049 -0.397 9.109
54 HE1 PHE 7 1HE PHE 7 -5.577 1.072 7.760
55 HE2 PHE 7 2HE PHE 7 -2.102 1.528 10.220
56 HZ PHE 7 HZ PHE 7 -4.358 2.273 9.543
57 H CYS 8 H CYS 8 1.300 -1.840 4.734
58 HA CYS 8 HA CYS 8 0.948 -4.805 3.940
59 HB2 CYS 8 1HB CYS 8 1.549 -2.329 2.213
60 HB3 CYS 8 2HB CYS 8 2.208 -3.885 1.742
Start of MODEL 9
1 H1 ACE 1 1H1 ACE 1 -6.984 -4.499 4.813
2 H2 ACE 1 2H1 ACE 1 -5.981 -4.693 3.360
3 H3 ACE 1 3H1 ACE 1 -5.459 -3.589 4.659
4 H ARG 2 H ARG 2 -5.791 -1.570 4.040
5 HA ARG 2 HA ARG 2 -8.364 -0.669 2.641
6 HB2 ARG 2 1HB ARG 2 -6.274 0.702 4.421
7 HB3 ARG 2 2HB ARG 2 -7.176 1.696 3.323
8 HG2 ARG 2 1HG ARG 2 -8.624 -0.205 5.250
9 HG3 ARG 2 2HG ARG 2 -8.102 1.381 5.756
10 HD2 ARG 2 1HD ARG 2 -10.026 0.871 3.379
11 HD3 ARG 2 2HD ARG 2 -10.529 1.271 5.029
12 HE ARG 2 HE ARG 2 -8.625 3.320 4.151
13 HH11 ARG 2 1HH1 ARG 2 -10.868 5.546 2.920
14 HH12 ARG 2 2HH1 ARG 2 -9.170 5.198 3.471
15 HH21 ARG 2 1HH2 ARG 2 -12.363 4.023 2.935
16 HH22 ARG 2 2HH2 ARG 2 -11.899 2.349 3.508
17 H ALA 3 H ALA 3 -5.754 1.460 1.956
18 HA ALA 3 HA ALA 3 -5.660 0.648 -0.964
19 HB1 ALA 3 1HB ALA 3 -5.689 3.072 -0.262
20 HB2 ALA 3 2HB ALA 3 -4.157 2.850 0.629
21 HB3 ALA 3 3HB ALA 3 -4.202 2.679 -1.138
22 H DCY 4 H CYS 4 -4.123 -0.616 1.671
23 HA DCY 4 HA CYS 4 -1.934 -2.002 0.467
24 HB2 DCY 4 2HB CYS 4 -1.470 -1.280 3.350
25 HB3 DCY 4 1HB CYS 4 -3.128 -1.771 3.096
26 H ARG 5 H ARG 5 -1.815 1.281 1.698
27 HA ARG 5 HA ARG 5 1.046 1.683 0.754
28 HB2 ARG 5 1HB ARG 5 -1.364 3.454 1.386
29 HB3 ARG 5 2HB ARG 5 0.105 4.118 1.950
30 HG2 ARG 5 1HG ARG 5 0.792 3.294 -0.740
31 HG3 ARG 5 2HG ARG 5 -0.868 3.800 -0.844
32 HD2 ARG 5 1HD ARG 5 0.478 5.743 -1.310
33 HD3 ARG 5 2HD ARG 5 -0.221 6.031 0.297
34 HE ARG 5 HE ARG 5 2.287 4.705 0.806
35 HH11 ARG 5 1HH1 ARG 5 4.449 7.321 0.679
36 HH12 ARG 5 2HH1 ARG 5 4.119 5.598 1.166
37 HH21 ARG 5 1HH2 ARG 5 2.952 8.487 -0.309
38 HH22 ARG 5 2HH2 ARG 5 1.331 7.710 -0.652
39 H PHE 6 H PHE 6 -0.321 1.003 3.709
40 HA PHE 6 HA PHE 6 2.152 1.747 5.323
41 HB2 PHE 6 1HB PHE 6 0.367 2.581 7.194
42 HB3 PHE 6 2HB PHE 6 1.198 3.617 6.100
43 HD1 PHE 6 1HD PHE 6 0.013 5.020 4.545
44 HD2 PHE 6 2HD PHE 6 -2.131 1.920 6.606
45 HE1 PHE 6 1HE PHE 6 -2.108 5.877 3.636
46 HE2 PHE 6 2HE PHE 6 -4.249 2.773 5.676
47 HZ PHE 6 HZ PHE 6 -4.238 4.748 4.181
48 H PHE 7 H PHE 7 -1.079 0.168 5.688
49 HA PHE 7 HA PHE 7 0.050 -1.924 7.489
50 HB2 PHE 7 1HB PHE 7 -2.624 -2.080 6.021
51 HB3 PHE 7 2HB PHE 7 -2.184 -2.859 7.512
52 HD1 PHE 7 1HD PHE 7 -1.114 -0.547 9.196
53 HD2 PHE 7 2HD PHE 7 -4.503 -0.745 6.549
54 HE1 PHE 7 1HE PHE 7 -2.153 1.353 10.363
55 HE2 PHE 7 2HE PHE 7 -5.533 1.144 7.744
56 HZ PHE 7 HZ PHE 7 -4.352 2.208 9.637
57 H CYS 8 H CYS 8 1.267 -1.801 4.724
58 HA CYS 8 HA CYS 8 0.971 -4.765 3.908
59 HB2 CYS 8 1HB CYS 8 1.606 -2.265 2.224
60 HB3 CYS 8 2HB CYS 8 2.287 -3.812 1.756
Start of MODEL 10
1 H1 ACE 1 1H1 ACE 1 -5.352 -4.097 3.566
2 H2 ACE 1 2H1 ACE 1 -6.109 -3.657 5.132
3 H3 ACE 1 3H1 ACE 1 -6.860 -4.884 4.087
4 H ARG 2 H ARG 2 -5.785 -1.560 3.998
5 HA ARG 2 HA ARG 2 -8.358 -0.681 2.560
6 HB2 ARG 2 1HB ARG 2 -6.338 0.757 4.381
7 HB3 ARG 2 2HB ARG 2 -7.371 1.684 3.339
8 HG2 ARG 2 1HG ARG 2 -8.938 -0.386 4.843
9 HG3 ARG 2 2HG ARG 2 -8.041 0.643 5.918
10 HD2 ARG 2 1HD ARG 2 -9.764 1.852 3.644
11 HD3 ARG 2 2HD ARG 2 -10.528 1.331 5.111
12 HE ARG 2 HE ARG 2 -8.742 3.740 4.794
13 HH11 ARG 2 1HH1 ARG 2 -9.102 4.709 8.030
14 HH12 ARG 2 2HH1 ARG 2 -8.557 5.118 6.343
15 HH21 ARG 2 1HH2 ARG 2 -9.961 2.812 8.488
16 HH22 ARG 2 2HH2 ARG 2 -10.125 1.590 7.136
17 H ALA 3 H ALA 3 -5.730 1.494 2.044
18 HA ALA 3 HA ALA 3 -5.596 0.835 -0.905
19 HB1 ALA 3 1HB ALA 3 -4.033 2.878 0.831
20 HB2 ALA 3 2HB ALA 3 -4.063 2.814 -0.945
21 HB3 ALA 3 3HB ALA 3 -5.545 3.208 -0.058
22 H DCY 4 H CYS 4 -4.171 -0.718 1.615
23 HA DCY 4 HA CYS 4 -2.008 -2.085 0.360
24 HB2 DCY 4 2HB CYS 4 -1.664 -1.477 3.319
25 HB3 DCY 4 1HB CYS 4 -3.243 -2.110 2.910
26 H ARG 5 H ARG 5 -1.801 1.079 1.855
27 HA ARG 5 HA ARG 5 1.067 1.415 0.878
28 HB2 ARG 5 1HB ARG 5 -1.253 3.170 0.804
29 HB3 ARG 5 2HB ARG 5 -0.190 3.891 1.977
30 HG2 ARG 5 1HG ARG 5 1.722 3.657 0.212
31 HG3 ARG 5 2HG ARG 5 0.505 3.186 -0.956
32 HD2 ARG 5 1HD ARG 5 0.432 5.838 0.656
33 HD3 ARG 5 2HD ARG 5 1.264 5.668 -0.895
34 HE ARG 5 HE ARG 5 -1.391 4.753 -1.445
35 HH11 ARG 5 1HH1 ARG 5 -2.722 7.752 -2.366
36 HH12 ARG 5 2HH1 ARG 5 -2.790 5.935 -2.457
37 HH21 ARG 5 1HH2 ARG 5 -1.207 8.748 -1.254
38 HH22 ARG 5 2HH2 ARG 5 0.043 7.736 -0.382
39 H PHE 6 H PHE 6 -0.724 2.148 3.893
40 HA PHE 6 HA PHE 6 1.915 2.126 5.449
41 HB2 PHE 6 1HB PHE 6 -0.847 3.019 6.463
42 HB3 PHE 6 2HB PHE 6 0.686 3.267 7.244
43 HD1 PHE 6 1HD PHE 6 -1.680 4.714 4.946
44 HD2 PHE 6 2HD PHE 6 2.509 4.719 5.920
45 HE1 PHE 6 1HE PHE 6 -1.358 6.735 3.579
46 HE2 PHE 6 2HE PHE 6 2.816 6.743 4.550
47 HZ PHE 6 HZ PHE 6 0.891 7.745 3.366
48 H PHE 7 H PHE 7 -0.284 -0.205 4.724
49 HA PHE 7 HA PHE 7 0.271 -1.800 7.299
50 HB2 PHE 7 1HB PHE 7 -2.487 -1.786 5.932
51 HB3 PHE 7 2HB PHE 7 -2.057 -2.593 7.406
52 HD1 PHE 7 1HD PHE 7 -3.353 0.471 5.998
53 HD2 PHE 7 2HD PHE 7 -1.390 -1.089 9.491
54 HE1 PHE 7 1HE PHE 7 -3.979 2.492 7.259
55 HE2 PHE 7 2HE PHE 7 -2.025 0.939 10.740
56 HZ PHE 7 HZ PHE 7 -3.307 2.735 9.626
57 H CYS 8 H CYS 8 1.713 -2.082 4.923
58 HA CYS 8 HA CYS 8 0.834 -4.811 3.784
59 HB2 CYS 8 1HB CYS 8 1.528 -2.198 2.402
60 HB3 CYS 8 2HB CYS 8 2.408 -3.570 1.765