NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570335 |
2mg6   |
19587 | 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 -6.745 3.412 -1.887
2 H2 GLY 1 2HT GLY 1 -8.267 4.131 -1.663
3 H3 GLY 1 3HT GLY 1 -7.913 3.326 -3.114
4 HA2 GLY 1 2HA GLY 1 -8.716 2.252 -0.533
5 HA3 GLY 1 1HA GLY 1 -9.037 1.640 -2.155
6 H CYS 2 H CYS 2 -6.562 1.368 -3.238
7 HA CYS 2 HA CYS 2 -5.628 -1.085 -2.474
8 HB2 CYS 2 2HB CYS 2 -4.936 0.232 -4.515
9 HB3 CYS 2 1HB CYS 2 -3.810 1.110 -3.478
10 H ABA 3 H ABA 3 -4.501 2.057 -1.241
11 HA ABA 3 HA ABA 3 -2.350 1.350 0.302
12 HB3 ABA 3 1HB ABA 3 -4.347 3.092 1.650
13 HB2 ABA 3 2HB ABA 3 -3.793 3.606 0.058
14 HG1 ABA 3 HG ABA 3 -1.501 3.825 0.868
15 H SER 4 H SER 4 -5.712 0.582 0.900
16 HA SER 4 HA SER 4 -5.443 -0.202 3.629
17 HB2 SER 4 2HB SER 4 -7.616 0.320 2.573
18 HB3 SER 4 1HB SER 4 -7.464 -1.125 1.575
19 HG SER 4 HG SER 4 -7.154 -2.221 3.723
20 H ASP 5 H ASP 5 -4.623 -1.765 0.642
21 HA ASP 5 HA ASP 5 -4.718 -4.454 1.636
22 HB2 ASP 5 2HB ASP 5 -4.371 -3.243 -0.860
23 HB3 ASP 5 1HB ASP 5 -2.843 -4.052 -0.542
24 HA PRO 6 HA PRO 6 -1.038 -4.259 4.145
25 HB2 PRO 6 2HB PRO 6 -0.530 -7.024 4.017
26 HB3 PRO 6 1HB PRO 6 -1.524 -6.205 5.235
27 HG2 PRO 6 2HG PRO 6 -2.349 -7.701 2.815
28 HG3 PRO 6 1HG PRO 6 -3.165 -7.535 4.379
29 HD2 PRO 6 2HD PRO 6 -4.004 -6.211 2.160
30 HD3 PRO 6 1HD PRO 6 -4.169 -5.522 3.793
31 H ARG 7 H ARG 7 -1.272 -5.696 0.997
32 HA ARG 7 HA ARG 7 1.619 -5.863 0.623
33 HB2 ARG 7 2HB ARG 7 -0.729 -6.970 -0.653
34 HB3 ARG 7 1HB ARG 7 0.303 -6.184 -1.849
35 HG2 ARG 7 2HG ARG 7 0.972 -8.532 -1.563
36 HG3 ARG 7 1HG ARG 7 2.250 -7.460 -0.992
37 HD2 ARG 7 2HD ARG 7 0.312 -8.097 1.104
38 HD3 ARG 7 1HD ARG 7 1.100 -9.534 0.453
39 HE ARG 7 HE ARG 7 2.998 -7.454 0.987
40 HH11 ARG 7 1HH2 ARG 7 1.051 -9.872 2.444
41 HH12 ARG 7 2HH2 ARG 7 2.118 -10.107 3.782
42 HH21 ARG 7 1HH1 ARG 7 4.378 -7.773 2.704
43 HH22 ARG 7 2HH1 ARG 7 3.983 -8.930 3.927
44 H CYS 8 H CYS 8 -0.961 -3.660 0.112
45 HA CYS 8 HA CYS 8 0.407 -2.109 -1.932
46 HB2 CYS 8 2HB CYS 8 -2.205 -2.348 -1.366
47 HB3 CYS 8 1HB CYS 8 -1.844 -0.914 -0.407
48 H ASN 9 H ASN 9 -0.238 -1.861 1.542
49 HA ASN 9 HA ASN 9 0.722 0.706 2.022
50 HB2 ASN 9 2HB ASN 9 0.040 -1.571 3.584
51 HB3 ASN 9 1HB ASN 9 1.618 -1.016 4.134
52 HD21 ASN 9 1HD2 ASN 9 -1.672 0.262 3.398
53 HD22 ASN 9 2HD2 ASN 9 -1.596 1.483 4.574
54 H TYR 10 H TYR 10 2.450 -2.124 1.127
55 HA TYR 10 HA TYR 10 5.060 -0.973 1.822
56 HB2 TYR 10 2HB TYR 10 4.216 -3.650 0.694
57 HB3 TYR 10 1HB TYR 10 5.899 -3.172 0.902
58 HD1 TYR 10 2HD TYR 10 2.689 -3.294 2.841
59 HD2 TYR 10 1HD TYR 10 6.962 -3.712 2.910
60 HE1 TYR 10 2HE TYR 10 2.580 -4.025 5.213
61 HE2 TYR 10 1HE TYR 10 6.849 -4.444 5.281
62 HH TYR 10 HH TYR 10 5.188 -5.486 6.796
63 H ASP 11 H ASP 11 2.987 -1.659 -0.891
64 HA ASP 11 HA ASP 11 5.018 -1.091 -2.893
65 HB2 ASP 11 2HB ASP 11 2.770 -2.637 -2.897
66 HB3 ASP 11 1HB ASP 11 2.178 -1.190 -3.705
67 H HIS 12 H HIS 12 2.334 0.571 -1.344
68 HA HIS 12 HA HIS 12 3.133 3.037 -2.780
69 HB2 HIS 12 2HB HIS 12 0.389 1.863 -2.462
70 HB3 HIS 12 1HB HIS 12 0.581 3.608 -2.548
71 HD2 HIS 12 2HD HIS 12 1.197 0.477 -4.828
72 HE1 HIS 12 1HE HIS 12 1.466 3.935 -7.231
73 HE2 HIS 12 2HE HIS 12 1.449 1.390 -7.263
74 HA PRO 13 HA PRO 13 3.116 3.496 1.890
75 HB2 PRO 13 2HB PRO 13 5.534 4.862 1.903
76 HB3 PRO 13 1HB PRO 13 5.360 3.116 2.150
77 HG2 PRO 13 2HG PRO 13 6.140 4.613 -0.293
78 HG3 PRO 13 1HG PRO 13 6.729 3.059 0.319
79 HD2 PRO 13 2HD PRO 13 4.965 3.225 -1.743
80 HD3 PRO 13 1HD PRO 13 4.954 1.868 -0.593
81 H GLU 14 H GLU 14 4.292 5.815 -0.548
82 HA GLU 14 HA GLU 14 3.804 8.215 0.730
83 HB2 GLU 14 2HB GLU 14 3.624 7.406 -2.164
84 HB3 GLU 14 1HB GLU 14 3.332 9.071 -1.654
85 HG2 GLU 14 2HG GLU 14 5.775 7.785 -0.551
86 HG3 GLU 14 1HG GLU 14 5.795 8.128 -2.279
87 H ILE 15 H ILE 15 1.494 5.968 -0.552
88 HA ILE 15 HA ILE 15 -0.720 7.841 -0.603
89 HB ILE 15 HB ILE 15 -0.620 4.823 -0.841
90 HG12 ILE 15 2HG1 ILE 15 -0.686 7.109 -2.808
91 HG13 ILE 15 1HG1 ILE 15 0.466 5.782 -2.724
92 HG21 ILE 15 1HG2 ILE 15 -2.893 6.737 -1.456
93 HG22 ILE 15 2HG2 ILE 15 -2.821 5.706 -0.028
94 HG23 ILE 15 3HG2 ILE 15 -2.921 4.983 -1.631
95 HD11 ILE 15 3HD1 ILE 15 -0.874 4.997 -4.434
96 HD12 ILE 15 1HD1 ILE 15 -2.312 5.812 -3.818
97 HD13 ILE 15 2HD1 ILE 15 -1.745 4.326 -3.056
98 H ABA 16 H ABA 16 0.382 5.204 1.477
99 HA ABA 16 HA ABA 16 -1.777 5.811 3.389
100 HB3 ABA 16 1HB ABA 16 -0.813 3.647 4.468
101 HB2 ABA 16 2HB ABA 16 -0.010 3.435 2.911
102 HG1 ABA 16 HG ABA 16 -2.823 2.898 3.460
103 HN1 NH2 17 2H ABA 16 1.992 6.457 4.792
104 HN2 NH2 17 1H ABA 16 1.788 5.791 3.245
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -7.555 4.162 -0.465
2 H2 GLY 1 2HT GLY 1 -7.073 4.868 -1.928
3 H3 GLY 1 3HT GLY 1 -5.998 3.874 -1.067
4 HA2 GLY 1 2HA GLY 1 -8.571 2.745 -1.924
5 HA3 GLY 1 1HA GLY 1 -7.294 2.942 -3.123
6 H CYS 2 H CYS 2 -5.946 1.269 -3.334
7 HA CYS 2 HA CYS 2 -6.056 -1.074 -1.814
8 HB2 CYS 2 2HB CYS 2 -4.121 -1.792 -3.005
9 HB3 CYS 2 1HB CYS 2 -5.047 -0.785 -4.114
10 H ABA 3 H ABA 3 -4.600 1.894 -0.983
11 HA ABA 3 HA ABA 3 -2.335 1.369 0.444
12 HB3 ABA 3 1HB ABA 3 -4.382 3.005 1.857
13 HB2 ABA 3 2HB ABA 3 -3.918 3.518 0.239
14 HG1 ABA 3 HG ABA 3 -1.532 3.700 0.985
15 H SER 4 H SER 4 -5.578 0.370 1.282
16 HA SER 4 HA SER 4 -5.005 -0.344 4.009
17 HB2 SER 4 2HB SER 4 -7.233 -1.766 3.419
18 HB3 SER 4 1HB SER 4 -7.250 -0.060 3.861
19 HG SER 4 HG SER 4 -7.338 -1.255 1.287
20 H ASP 5 H ASP 5 -4.502 -1.894 0.963
21 HA ASP 5 HA ASP 5 -4.509 -4.587 2.029
22 HB2 ASP 5 2HB ASP 5 -4.554 -3.416 -0.552
23 HB3 ASP 5 1HB ASP 5 -3.095 -4.390 -0.462
24 HA PRO 6 HA PRO 6 -0.399 -4.369 3.749
25 HB2 PRO 6 2HB PRO 6 0.047 -7.144 3.594
26 HB3 PRO 6 1HB PRO 6 -0.665 -6.279 4.967
27 HG2 PRO 6 2HG PRO 6 -1.987 -7.820 2.811
28 HG3 PRO 6 1HG PRO 6 -2.455 -7.605 4.506
29 HD2 PRO 6 2HD PRO 6 -3.734 -6.321 2.489
30 HD3 PRO 6 1HD PRO 6 -3.533 -5.583 4.096
31 H ARG 7 H ARG 7 -1.272 -5.965 0.776
32 HA ARG 7 HA ARG 7 1.450 -6.236 -0.163
33 HB2 ARG 7 2HB ARG 7 -1.065 -7.305 -0.894
34 HB3 ARG 7 1HB ARG 7 -0.514 -6.363 -2.279
35 HG2 ARG 7 2HG ARG 7 1.512 -8.113 -0.959
36 HG3 ARG 7 1HG ARG 7 0.243 -8.920 -1.879
37 HD2 ARG 7 2HD ARG 7 2.179 -8.443 -3.315
38 HD3 ARG 7 1HD ARG 7 0.770 -7.525 -3.845
39 HE ARG 7 HE ARG 7 1.802 -5.627 -2.466
40 HH11 ARG 7 1HH2 ARG 7 3.621 -8.038 -4.118
41 HH12 ARG 7 2HH2 ARG 7 5.069 -7.099 -4.130
42 HH21 ARG 7 1HH1 ARG 7 3.641 -4.439 -2.510
43 HH22 ARG 7 2HH1 ARG 7 5.082 -5.068 -3.221
44 H CYS 8 H CYS 8 -0.955 -3.812 -0.133
45 HA CYS 8 HA CYS 8 0.474 -2.273 -2.218
46 HB2 CYS 8 2HB CYS 8 -2.203 -2.702 -1.967
47 HB3 CYS 8 1HB CYS 8 -2.025 -1.185 -1.091
48 H ASN 9 H ASN 9 -0.545 -2.237 1.147
49 HA ASN 9 HA ASN 9 0.074 0.440 1.759
50 HB2 ASN 9 2HB ASN 9 -1.145 -1.288 3.200
51 HB3 ASN 9 1HB ASN 9 0.455 -1.855 3.673
52 HD21 ASN 9 1HD2 ASN 9 -1.502 1.150 3.552
53 HD22 ASN 9 2HD2 ASN 9 -0.767 1.848 4.914
54 H TYR 10 H TYR 10 2.139 -2.290 1.277
55 HA TYR 10 HA TYR 10 4.464 -0.952 2.445
56 HB2 TYR 10 2HB TYR 10 4.018 -3.667 1.196
57 HB3 TYR 10 1HB TYR 10 5.610 -3.093 1.696
58 HD1 TYR 10 1HD TYR 10 2.119 -3.159 3.089
59 HD2 TYR 10 2HD TYR 10 6.305 -3.767 3.818
60 HE1 TYR 10 1HE TYR 10 1.612 -3.836 5.421
61 HE2 TYR 10 2HE TYR 10 5.795 -4.446 6.152
62 HH TYR 10 HH TYR 10 3.842 -5.401 7.402
63 H ASP 11 H ASP 11 3.038 -1.699 -0.647
64 HA ASP 11 HA ASP 11 5.416 -0.845 -2.120
65 HB2 ASP 11 2HB ASP 11 3.078 -2.448 -2.688
66 HB3 ASP 11 1HB ASP 11 3.272 -1.195 -3.910
67 H HIS 12 H HIS 12 2.263 0.392 -1.205
68 HA HIS 12 HA HIS 12 2.836 2.893 -2.700
69 HB2 HIS 12 2HB HIS 12 0.265 1.508 -1.989
70 HB3 HIS 12 1HB HIS 12 0.287 3.243 -2.266
71 HD2 HIS 12 2HD HIS 12 0.736 -0.060 -4.297
72 HE1 HIS 12 1HE HIS 12 0.814 3.168 -7.014
73 HE2 HIS 12 2HE HIS 12 0.755 0.636 -6.816
74 HA PRO 13 HA PRO 13 3.099 3.740 1.912
75 HB2 PRO 13 2HB PRO 13 5.495 5.076 1.789
76 HB3 PRO 13 1HB PRO 13 5.353 3.327 2.051
77 HG2 PRO 13 2HG PRO 13 5.990 4.819 -0.444
78 HG3 PRO 13 1HG PRO 13 6.664 3.301 0.171
79 HD2 PRO 13 2HD PRO 13 4.784 3.371 -1.806
80 HD3 PRO 13 1HD PRO 13 4.919 2.026 -0.650
81 H GLU 14 H GLU 14 4.137 5.866 -0.757
82 HA GLU 14 HA GLU 14 3.670 8.343 0.417
83 HB2 GLU 14 2HB GLU 14 3.258 7.553 -2.479
84 HB3 GLU 14 1HB GLU 14 3.445 9.204 -1.881
85 HG2 GLU 14 2HG GLU 14 5.669 8.370 -0.847
86 HG3 GLU 14 1HG GLU 14 5.492 6.982 -1.916
87 H ILE 15 H ILE 15 1.401 6.012 -0.804
88 HA ILE 15 HA ILE 15 -0.846 7.793 -1.018
89 HB ILE 15 HB ILE 15 -0.690 4.772 -0.842
90 HG12 ILE 15 2HG1 ILE 15 -0.736 6.777 -3.093
91 HG13 ILE 15 1HG1 ILE 15 0.390 5.447 -2.839
92 HG21 ILE 15 1HG2 ILE 15 -2.984 4.781 -1.657
93 HG22 ILE 15 2HG2 ILE 15 -2.990 6.543 -1.731
94 HG23 ILE 15 3HG2 ILE 15 -2.913 5.725 -0.170
95 HD11 ILE 15 3HD1 ILE 15 -1.026 4.641 -4.540
96 HD12 ILE 15 1HD1 ILE 15 -2.465 5.333 -3.795
97 HD13 ILE 15 2HD1 ILE 15 -1.694 3.918 -3.079
98 H ABA 16 H ABA 16 0.124 5.327 1.358
99 HA ABA 16 HA ABA 16 -1.984 6.231 3.184
100 HB3 ABA 16 1HB ABA 16 -1.006 4.258 4.566
101 HB2 ABA 16 2HB ABA 16 -0.164 3.845 3.071
102 HG1 ABA 16 HG ABA 16 -3.018 3.411 3.638
103 HN1 NH2 17 2H ABA 16 1.647 7.541 4.268
104 HN2 NH2 17 1H ABA 16 1.366 6.873 2.733
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -9.778 1.580 -0.400
2 H2 GLY 1 2HT GLY 1 -9.813 2.905 0.653
3 H3 GLY 1 3HT GLY 1 -8.888 1.535 1.040
4 HA2 GLY 1 2HA GLY 1 -8.354 3.123 -1.400
5 HA3 GLY 1 1HA GLY 1 -7.627 3.541 0.150
6 H CYS 2 H CYS 2 -5.914 2.876 -1.843
7 HA CYS 2 HA CYS 2 -5.307 0.183 -2.244
8 HB2 CYS 2 2HB CYS 2 -4.204 2.432 -3.178
9 HB3 CYS 2 1HB CYS 2 -3.002 2.039 -1.946
10 H ABA 3 H ABA 3 -4.692 2.187 0.552
11 HA ABA 3 HA ABA 3 -2.693 0.609 1.780
12 HB3 ABA 3 1HB ABA 3 -3.989 1.627 3.920
13 HB2 ABA 3 2HB ABA 3 -4.607 2.688 2.663
14 HG1 ABA 3 HG ABA 3 -1.888 2.701 3.785
15 H SER 4 H SER 4 -6.077 0.061 1.356
16 HA SER 4 HA SER 4 -6.665 -1.587 3.539
17 HB2 SER 4 2HB SER 4 -7.689 -2.244 0.791
18 HB3 SER 4 1HB SER 4 -8.519 -2.349 2.341
19 HG SER 4 HG SER 4 -7.919 -0.093 0.754
20 H ASP 5 H ASP 5 -4.776 -2.199 0.674
21 HA ASP 5 HA ASP 5 -4.472 -5.034 1.416
22 HB2 ASP 5 2HB ASP 5 -4.454 -3.566 -1.096
23 HB3 ASP 5 1HB ASP 5 -3.028 -4.569 -0.924
24 HA PRO 6 HA PRO 6 -0.729 -3.575 3.516
25 HB2 PRO 6 2HB PRO 6 -0.305 -6.539 3.503
26 HB3 PRO 6 1HB PRO 6 -0.139 -5.385 4.842
27 HG2 PRO 6 2HG PRO 6 -2.246 -6.998 4.658
28 HG3 PRO 6 1HG PRO 6 -2.397 -5.338 5.257
29 HD2 PRO 6 2HD PRO 6 -3.248 -6.472 2.630
30 HD3 PRO 6 1HD PRO 6 -3.942 -5.122 3.557
31 H ARG 7 H ARG 7 -1.023 -5.782 0.815
32 HA ARG 7 HA ARG 7 1.718 -5.858 0.074
33 HB2 ARG 7 2HB ARG 7 -0.743 -6.940 -0.881
34 HB3 ARG 7 1HB ARG 7 0.059 -6.137 -2.233
35 HG2 ARG 7 2HG ARG 7 1.327 -8.202 -0.398
36 HG3 ARG 7 1HG ARG 7 0.795 -8.488 -2.054
37 HD2 ARG 7 2HD ARG 7 2.945 -7.964 -2.593
38 HD3 ARG 7 1HD ARG 7 2.396 -6.298 -2.395
39 HE ARG 7 HE ARG 7 3.260 -7.499 0.087
40 HH11 ARG 7 1HH2 ARG 7 4.244 -5.888 -2.779
41 HH12 ARG 7 2HH2 ARG 7 5.699 -5.266 -2.090
42 HH21 ARG 7 1HH1 ARG 7 5.142 -6.728 0.975
43 HH22 ARG 7 2HH1 ARG 7 6.214 -5.758 0.028
44 H CYS 8 H CYS 8 -0.888 -3.647 -0.549
45 HA CYS 8 HA CYS 8 0.714 -2.134 -2.491
46 HB2 CYS 8 2HB CYS 8 -1.644 -2.362 -3.008
47 HB3 CYS 8 1HB CYS 8 -2.089 -1.704 -1.432
48 H ASN 9 H ASN 9 -0.543 -1.891 0.791
49 HA ASN 9 HA ASN 9 0.238 0.811 1.212
50 HB2 ASN 9 2HB ASN 9 -0.890 0.501 3.128
51 HB3 ASN 9 1HB ASN 9 -1.115 -1.183 2.675
52 HD21 ASN 9 1HD2 ASN 9 1.575 0.822 4.041
53 HD22 ASN 9 2HD2 ASN 9 1.997 -0.327 5.216
54 H TYR 10 H TYR 10 2.013 -2.137 1.171
55 HA TYR 10 HA TYR 10 4.252 -1.073 2.684
56 HB2 TYR 10 2HB TYR 10 4.138 -3.358 3.017
57 HB3 TYR 10 1HB TYR 10 3.553 -3.670 1.384
58 HD1 TYR 10 1HD TYR 10 5.153 -3.340 -0.570
59 HD2 TYR 10 2HD TYR 10 6.465 -3.527 3.517
60 HE1 TYR 10 1HE TYR 10 7.471 -3.805 -1.334
61 HE2 TYR 10 2HE TYR 10 8.777 -4.000 2.746
62 HH TYR 10 HH TYR 10 10.050 -3.367 0.319
63 H ASP 11 H ASP 11 3.357 -1.703 -0.661
64 HA ASP 11 HA ASP 11 5.947 -0.866 -1.677
65 HB2 ASP 11 2HB ASP 11 3.654 -2.311 -2.683
66 HB3 ASP 11 1HB ASP 11 4.102 -1.022 -3.798
67 H HIS 12 H HIS 12 2.688 0.461 -1.357
68 HA HIS 12 HA HIS 12 3.730 3.020 -2.428
69 HB2 HIS 12 2HB HIS 12 0.896 1.964 -2.537
70 HB3 HIS 12 1HB HIS 12 1.424 3.540 -3.118
71 HD2 HIS 12 2HD HIS 12 1.890 -0.237 -4.066
72 HE1 HIS 12 1HE HIS 12 3.285 2.108 -7.282
73 HE2 HIS 12 2HE HIS 12 2.796 -0.269 -6.518
74 HA PRO 13 HA PRO 13 2.360 3.493 2.055
75 HB2 PRO 13 2HB PRO 13 4.767 4.421 3.005
76 HB3 PRO 13 1HB PRO 13 4.314 2.705 2.993
77 HG2 PRO 13 2HG PRO 13 6.068 4.214 1.122
78 HG3 PRO 13 1HG PRO 13 6.240 2.567 1.750
79 HD2 PRO 13 2HD PRO 13 5.308 3.113 -0.765
80 HD3 PRO 13 1HD PRO 13 4.832 1.667 0.150
81 H GLU 14 H GLU 14 4.557 5.455 0.094
82 HA GLU 14 HA GLU 14 4.000 7.984 1.204
83 HB2 GLU 14 2HB GLU 14 5.775 7.137 -0.578
84 HB3 GLU 14 1HB GLU 14 4.556 7.695 -1.720
85 HG2 GLU 14 2HG GLU 14 4.844 9.676 0.331
86 HG3 GLU 14 1HG GLU 14 6.447 9.265 -0.266
87 H ILE 15 H ILE 15 2.363 6.064 -1.225
88 HA ILE 15 HA ILE 15 0.526 8.130 -2.049
89 HB ILE 15 HB ILE 15 0.241 5.132 -2.367
90 HG12 ILE 15 2HG1 ILE 15 1.729 7.190 -4.016
91 HG13 ILE 15 1HG1 ILE 15 2.390 5.735 -3.276
92 HG21 ILE 15 1HG2 ILE 15 -1.155 5.747 -4.273
93 HG22 ILE 15 2HG2 ILE 15 -0.815 7.457 -4.008
94 HG23 ILE 15 3HG2 ILE 15 -1.765 6.551 -2.829
95 HD11 ILE 15 3HD1 ILE 15 2.093 5.038 -5.481
96 HD12 ILE 15 1HD1 ILE 15 0.626 5.993 -5.688
97 HD13 ILE 15 2HD1 ILE 15 0.584 4.508 -4.737
98 H ABA 16 H ABA 16 0.532 5.440 0.202
99 HA ABA 16 HA ABA 16 -2.224 5.757 0.997
100 HB3 ABA 16 1HB ABA 16 -0.575 4.317 2.898
101 HB2 ABA 16 2HB ABA 16 -0.250 3.778 1.255
102 HG1 ABA 16 HG ABA 16 -2.851 3.542 1.007
103 HN1 NH2 17 2H ABA 16 0.248 7.651 3.650
104 HN2 NH2 17 1H ABA 16 0.928 6.675 2.441
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -7.678 3.166 -3.480
2 H2 GLY 1 2HT GLY 1 -6.865 3.728 -2.095
3 H3 GLY 1 3HT GLY 1 -8.518 4.054 -2.307
4 HA2 GLY 1 2HA GLY 1 -8.557 2.323 -0.796
5 HA3 GLY 1 1HA GLY 1 -8.804 1.517 -2.343
6 H CYS 2 H CYS 2 -5.838 2.337 -2.878
7 HA CYS 2 HA CYS 2 -4.516 0.002 -2.753
8 HB2 CYS 2 2HB CYS 2 -3.589 2.195 -3.541
9 HB3 CYS 2 1HB CYS 2 -3.273 2.616 -1.862
10 H ABA 3 H ABA 3 -4.369 2.312 -0.020
11 HA ABA 3 HA ABA 3 -2.971 0.808 1.811
12 HB3 ABA 3 1HB ABA 3 -5.059 2.122 3.243
13 HB2 ABA 3 2HB ABA 3 -4.615 3.142 1.874
14 HG1 ABA 3 HG ABA 3 -2.964 2.559 4.274
15 H SER 4 H SER 4 -6.131 0.114 0.616
16 HA SER 4 HA SER 4 -7.237 -1.294 2.795
17 HB2 SER 4 2HB SER 4 -8.745 -2.269 1.233
18 HB3 SER 4 1HB SER 4 -8.407 -0.649 0.631
19 HG SER 4 HG SER 4 -6.547 -2.045 -0.441
20 H ASP 5 H ASP 5 -4.769 -2.185 0.493
21 HA ASP 5 HA ASP 5 -4.817 -4.967 1.448
22 HB2 ASP 5 2HB ASP 5 -4.136 -3.697 -1.043
23 HB3 ASP 5 1HB ASP 5 -2.758 -4.617 -0.457
24 HA PRO 6 HA PRO 6 -1.637 -4.011 4.393
25 HB2 PRO 6 2HB PRO 6 -0.603 -6.639 4.468
26 HB3 PRO 6 1HB PRO 6 -1.854 -5.971 5.526
27 HG2 PRO 6 2HG PRO 6 -2.124 -7.693 3.141
28 HG3 PRO 6 1HG PRO 6 -3.146 -7.583 4.582
29 HD2 PRO 6 2HD PRO 6 -3.895 -6.549 2.183
30 HD3 PRO 6 1HD PRO 6 -4.392 -5.821 3.731
31 H ARG 7 H ARG 7 -1.047 -5.674 1.380
32 HA ARG 7 HA ARG 7 1.821 -5.289 1.438
33 HB2 ARG 7 2HB ARG 7 0.075 -6.930 0.015
34 HB3 ARG 7 1HB ARG 7 0.656 -5.782 -1.189
35 HG2 ARG 7 2HG ARG 7 2.252 -7.530 -1.233
36 HG3 ARG 7 1HG ARG 7 3.013 -6.272 -0.259
37 HD2 ARG 7 2HD ARG 7 3.245 -8.495 0.805
38 HD3 ARG 7 1HD ARG 7 2.291 -7.400 1.802
39 HE ARG 7 HE ARG 7 0.449 -8.790 1.475
40 HH11 ARG 7 1HH2 ARG 7 2.874 -9.445 -0.873
41 HH12 ARG 7 2HH2 ARG 7 2.093 -10.868 -1.461
42 HH21 ARG 7 1HH1 ARG 7 -0.549 -10.619 0.711
43 HH22 ARG 7 2HH1 ARG 7 0.172 -11.529 -0.572
44 H CYS 8 H CYS 8 -0.969 -3.609 0.266
45 HA CYS 8 HA CYS 8 0.089 -1.943 -1.688
46 HB2 CYS 8 2HB CYS 8 -2.275 -2.047 -0.129
47 HB3 CYS 8 1HB CYS 8 -1.672 -0.394 -0.051
48 H ASN 9 H ASN 9 0.302 -1.609 1.834
49 HA ASN 9 HA ASN 9 1.417 0.980 1.901
50 HB2 ASN 9 2HB ASN 9 1.565 -1.366 3.783
51 HB3 ASN 9 1HB ASN 9 2.396 0.148 4.130
52 HD21 ASN 9 1HD2 ASN 9 1.157 1.819 5.012
53 HD22 ASN 9 2HD2 ASN 9 -0.535 1.767 5.163
54 H TYR 10 H TYR 10 2.738 -1.999 0.898
55 HA TYR 10 HA TYR 10 5.515 -1.132 1.235
56 HB2 TYR 10 2HB TYR 10 4.316 -3.655 0.061
57 HB3 TYR 10 1HB TYR 10 6.039 -3.357 0.269
58 HD1 TYR 10 2HD TYR 10 2.827 -3.422 2.210
59 HD2 TYR 10 1HD TYR 10 7.089 -3.961 2.278
60 HE1 TYR 10 2HE TYR 10 2.690 -4.243 4.549
61 HE2 TYR 10 1HE TYR 10 6.941 -4.782 4.616
62 HH TYR 10 HH TYR 10 5.363 -4.526 6.550
63 H ASP 11 H ASP 11 3.052 -1.528 -1.212
64 HA ASP 11 HA ASP 11 4.894 -0.957 -3.399
65 HB2 ASP 11 2HB ASP 11 2.126 -1.940 -3.106
66 HB3 ASP 11 1HB ASP 11 2.420 -0.928 -4.516
67 H HIS 12 H HIS 12 2.437 0.695 -1.494
68 HA HIS 12 HA HIS 12 3.120 3.196 -2.928
69 HB2 HIS 12 2HB HIS 12 0.377 2.250 -2.068
70 HB3 HIS 12 1HB HIS 12 0.731 3.895 -2.582
71 HD2 HIS 12 2HD HIS 12 0.709 0.286 -4.151
72 HE1 HIS 12 1HE HIS 12 0.825 3.106 -7.288
73 HE2 HIS 12 2HE HIS 12 0.637 0.627 -6.743
74 HA PRO 13 HA PRO 13 3.765 3.362 1.781
75 HB2 PRO 13 2HB PRO 13 6.243 4.693 0.817
76 HB3 PRO 13 1HB PRO 13 6.037 3.485 2.098
77 HG2 PRO 13 2HG PRO 13 7.103 2.863 -0.269
78 HG3 PRO 13 1HG PRO 13 6.092 1.726 0.636
79 HD2 PRO 13 2HD PRO 13 5.418 3.308 -1.807
80 HD3 PRO 13 1HD PRO 13 4.846 1.705 -1.298
81 H GLU 14 H GLU 14 3.611 5.514 -0.885
82 HA GLU 14 HA GLU 14 3.724 7.966 0.651
83 HB2 GLU 14 2HB GLU 14 4.473 7.887 -1.696
84 HB3 GLU 14 1HB GLU 14 2.841 7.455 -2.205
85 HG2 GLU 14 2HG GLU 14 2.975 9.850 -0.488
86 HG3 GLU 14 1HG GLU 14 3.795 10.028 -2.036
87 H ILE 15 H ILE 15 1.184 6.336 -1.237
88 HA ILE 15 HA ILE 15 -0.999 7.892 -0.588
89 HB ILE 15 HB ILE 15 -0.949 4.880 -0.900
90 HG12 ILE 15 2HG1 ILE 15 -1.076 7.168 -2.879
91 HG13 ILE 15 1HG1 ILE 15 0.125 5.883 -2.804
92 HG21 ILE 15 1HG2 ILE 15 -3.081 5.844 0.001
93 HG22 ILE 15 2HG2 ILE 15 -3.272 5.141 -1.603
94 HG23 ILE 15 3HG2 ILE 15 -3.167 6.889 -1.417
95 HD11 ILE 15 3HD1 ILE 15 -2.640 5.826 -3.890
96 HD12 ILE 15 1HD1 ILE 15 -2.099 4.378 -3.043
97 HD13 ILE 15 2HD1 ILE 15 -1.198 4.970 -4.437
98 H ABA 16 H ABA 16 0.238 5.087 1.201
99 HA ABA 16 HA ABA 16 -1.571 5.742 3.442
100 HB3 ABA 16 1HB ABA 16 -0.917 3.466 4.278
101 HB2 ABA 16 2HB ABA 16 -0.000 3.239 2.790
102 HG1 ABA 16 HG ABA 16 -2.150 3.484 1.472
103 HN1 NH2 17 2H ABA 16 2.396 5.504 4.467
104 HN2 NH2 17 1H ABA 16 1.843 4.577 3.162
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -9.185 2.561 -0.886
2 H2 GLY 1 2HT GLY 1 -10.059 3.209 -2.190
3 H3 GLY 1 3HT GLY 1 -8.783 4.091 -1.496
4 HA2 GLY 1 2HA GLY 1 -8.680 2.245 -3.611
5 HA3 GLY 1 1HA GLY 1 -7.369 3.209 -2.933
6 H CYS 2 H CYS 2 -6.175 1.150 -3.521
7 HA CYS 2 HA CYS 2 -6.598 -1.135 -1.766
8 HB2 CYS 2 2HB CYS 2 -5.950 -1.648 -4.012
9 HB3 CYS 2 1HB CYS 2 -4.574 -0.552 -3.931
10 H ABA 3 H ABA 3 -4.732 1.762 -1.641
11 HA ABA 3 HA ABA 3 -2.370 1.217 -0.466
12 HB3 ABA 3 1HB ABA 3 -4.265 3.195 0.808
13 HB2 ABA 3 2HB ABA 3 -3.410 3.504 -0.705
14 HG1 ABA 3 HG ABA 3 -1.293 3.631 0.450
15 H SER 4 H SER 4 -5.467 1.023 1.286
16 HA SER 4 HA SER 4 -4.444 0.391 3.817
17 HB2 SER 4 2HB SER 4 -6.820 0.996 3.286
18 HB3 SER 4 1HB SER 4 -7.042 -0.643 2.673
19 HG SER 4 HG SER 4 -6.109 -1.251 4.845
20 H ASP 5 H ASP 5 -4.428 -1.549 0.988
21 HA ASP 5 HA ASP 5 -4.583 -4.117 2.233
22 HB2 ASP 5 2HB ASP 5 -4.593 -3.239 -0.361
23 HB3 ASP 5 1HB ASP 5 -2.986 -3.925 -0.236
24 HA PRO 6 HA PRO 6 -0.590 -4.319 4.149
25 HB2 PRO 6 2HB PRO 6 -0.220 -7.078 3.879
26 HB3 PRO 6 1HB PRO 6 -1.100 -6.289 5.200
27 HG2 PRO 6 2HG PRO 6 -2.147 -7.603 2.749
28 HG3 PRO 6 1HG PRO 6 -2.814 -7.572 4.390
29 HD2 PRO 6 2HD PRO 6 -3.847 -6.049 2.408
30 HD3 PRO 6 1HD PRO 6 -3.806 -5.485 4.095
31 H ARG 7 H ARG 7 -1.267 -5.735 1.037
32 HA ARG 7 HA ARG 7 1.524 -5.951 0.272
33 HB2 ARG 7 2HB ARG 7 -1.091 -6.408 -1.173
34 HB3 ARG 7 1HB ARG 7 0.479 -6.571 -1.954
35 HG2 ARG 7 2HG ARG 7 0.465 -7.997 0.570
36 HG3 ARG 7 1HG ARG 7 -0.872 -8.538 -0.448
37 HD2 ARG 7 2HD ARG 7 1.038 -9.893 -1.004
38 HD3 ARG 7 1HD ARG 7 0.778 -8.770 -2.339
39 HE ARG 7 HE ARG 7 2.681 -7.968 -0.249
40 HH11 ARG 7 1HH2 ARG 7 2.100 -9.187 -3.419
41 HH12 ARG 7 2HH2 ARG 7 3.695 -8.832 -3.980
42 HH21 ARG 7 1HH1 ARG 7 4.746 -7.532 -0.996
43 HH22 ARG 7 2HH1 ARG 7 5.157 -7.873 -2.639
44 H CYS 8 H CYS 8 -1.024 -3.671 0.117
45 HA CYS 8 HA CYS 8 0.204 -2.092 -2.018
46 HB2 CYS 8 2HB CYS 8 -2.366 -2.061 -0.544
47 HB3 CYS 8 1HB CYS 8 -1.752 -0.497 -1.066
48 H ASN 9 H ASN 9 -0.309 -1.903 1.499
49 HA ASN 9 HA ASN 9 0.680 0.709 1.869
50 HB2 ASN 9 2HB ASN 9 -0.502 -0.637 3.605
51 HB3 ASN 9 1HB ASN 9 0.956 -1.607 3.794
52 HD21 ASN 9 1HD2 ASN 9 2.525 -0.796 5.219
53 HD22 ASN 9 2HD2 ASN 9 2.509 0.774 5.860
54 H TYR 10 H TYR 10 2.341 -2.182 1.058
55 HA TYR 10 HA TYR 10 4.941 -1.193 1.954
56 HB2 TYR 10 2HB TYR 10 5.098 -3.449 2.202
57 HB3 TYR 10 1HB TYR 10 3.819 -3.764 1.031
58 HD1 TYR 10 2HD TYR 10 7.420 -3.002 1.429
59 HD2 TYR 10 1HD TYR 10 4.309 -4.175 -1.281
60 HE1 TYR 10 2HE TYR 10 9.130 -3.586 -0.273
61 HE2 TYR 10 1HE TYR 10 6.018 -4.766 -2.985
62 HH TYR 10 HH TYR 10 8.600 -3.868 -3.377
63 H ASP 11 H ASP 11 3.047 -1.557 -0.956
64 HA ASP 11 HA ASP 11 5.252 -0.672 -2.666
65 HB2 ASP 11 2HB ASP 11 3.617 -2.520 -3.298
66 HB3 ASP 11 1HB ASP 11 2.404 -1.258 -3.487
67 H HIS 12 H HIS 12 2.180 0.502 -1.371
68 HA HIS 12 HA HIS 12 2.709 3.133 -2.637
69 HB2 HIS 12 2HB HIS 12 0.110 1.831 -1.800
70 HB3 HIS 12 1HB HIS 12 0.245 3.535 -2.209
71 HD2 HIS 12 2HD HIS 12 2.148 0.812 -4.289
72 HE1 HIS 12 1HE HIS 12 -0.784 2.544 -6.767
73 HE2 HIS 12 2HE HIS 12 1.198 0.953 -6.711
74 HA PRO 13 HA PRO 13 3.141 3.491 2.049
75 HB2 PRO 13 2HB PRO 13 5.624 4.696 1.976
76 HB3 PRO 13 1HB PRO 13 5.374 2.946 2.132
77 HG2 PRO 13 2HG PRO 13 6.094 4.548 -0.266
78 HG3 PRO 13 1HG PRO 13 6.644 2.939 0.228
79 HD2 PRO 13 2HD PRO 13 4.760 3.326 -1.713
80 HD3 PRO 13 1HD PRO 13 4.800 1.879 -0.680
81 H GLU 14 H GLU 14 4.279 5.719 -0.470
82 HA GLU 14 HA GLU 14 3.945 8.165 0.836
83 HB2 GLU 14 2HB GLU 14 5.031 7.764 -1.397
84 HB3 GLU 14 1HB GLU 14 3.419 7.616 -2.092
85 HG2 GLU 14 2HG GLU 14 2.874 9.904 -1.310
86 HG3 GLU 14 1HG GLU 14 4.494 10.057 -0.638
87 H ILE 15 H ILE 15 1.609 5.957 -0.395
88 HA ILE 15 HA ILE 15 -0.570 7.907 -0.372
89 HB ILE 15 HB ILE 15 -0.722 4.941 -0.911
90 HG12 ILE 15 2HG1 ILE 15 0.019 7.255 -2.716
91 HG13 ILE 15 1HG1 ILE 15 0.909 5.755 -2.455
92 HG21 ILE 15 1HG2 ILE 15 -2.431 7.218 -1.942
93 HG22 ILE 15 2HG2 ILE 15 -2.825 6.309 -0.483
94 HG23 ILE 15 3HG2 ILE 15 -2.763 5.488 -2.041
95 HD11 ILE 15 3HD1 ILE 15 -1.569 6.232 -4.060
96 HD12 ILE 15 1HD1 ILE 15 -1.314 4.644 -3.338
97 HD13 ILE 15 2HD1 ILE 15 -0.135 5.293 -4.476
98 H ABA 16 H ABA 16 0.434 4.969 1.345
99 HA ABA 16 HA ABA 16 -1.702 5.426 3.336
100 HB3 ABA 16 1HB ABA 16 -1.028 3.069 4.073
101 HB2 ABA 16 2HB ABA 16 -0.071 2.996 2.595
102 HG1 ABA 16 HG ABA 16 -2.962 2.624 2.799
103 HN1 NH2 17 2H ABA 16 1.714 4.686 5.365
104 HN2 NH2 17 1H ABA 16 1.072 3.541 4.289
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -6.180 3.897 -4.849
2 H2 GLY 1 2HT GLY 1 -6.874 2.363 -4.639
3 H3 GLY 1 3HT GLY 1 -5.204 2.577 -4.438
4 HA2 GLY 1 2HA GLY 1 -5.553 3.945 -2.499
5 HA3 GLY 1 1HA GLY 1 -7.294 3.814 -2.731
6 H CYS 2 H CYS 2 -5.057 1.169 -3.318
7 HA CYS 2 HA CYS 2 -6.521 -0.549 -1.515
8 HB2 CYS 2 2HB CYS 2 -4.789 -2.244 -2.209
9 HB3 CYS 2 1HB CYS 2 -5.715 -1.540 -3.531
10 H ABA 3 H ABA 3 -4.337 1.760 -0.870
11 HA ABA 3 HA ABA 3 -2.218 1.102 0.551
12 HB3 ABA 3 1HB ABA 3 -4.103 2.638 2.239
13 HB2 ABA 3 2HB ABA 3 -3.865 3.260 0.608
14 HG1 ABA 3 HG ABA 3 -1.464 3.588 1.034
15 H SER 4 H SER 4 -5.491 0.376 1.735
16 HA SER 4 HA SER 4 -4.795 -0.604 4.277
17 HB2 SER 4 2HB SER 4 -7.002 -1.991 3.853
18 HB3 SER 4 1HB SER 4 -7.060 -0.241 4.070
19 HG SER 4 HG SER 4 -7.350 -1.796 1.748
20 H ASP 5 H ASP 5 -4.644 -2.140 1.136
21 HA ASP 5 HA ASP 5 -4.555 -4.830 2.027
22 HB2 ASP 5 2HB ASP 5 -4.370 -3.441 -0.454
23 HB3 ASP 5 1HB ASP 5 -2.997 -4.535 -0.347
24 HA PRO 6 HA PRO 6 -0.611 -4.898 4.109
25 HB2 PRO 6 2HB PRO 6 -0.193 -7.653 3.532
26 HB3 PRO 6 1HB PRO 6 -0.884 -6.964 5.011
27 HG2 PRO 6 2HG PRO 6 -2.237 -8.175 2.686
28 HG3 PRO 6 1HG PRO 6 -2.748 -8.086 4.379
29 HD2 PRO 6 2HD PRO 6 -3.890 -6.566 2.444
30 HD3 PRO 6 1HD PRO 6 -3.718 -5.989 4.119
31 H ARG 7 H ARG 7 -1.151 -6.093 0.867
32 HA ARG 7 HA ARG 7 1.702 -5.994 0.218
33 HB2 ARG 7 2HB ARG 7 -0.592 -7.412 -0.807
34 HB3 ARG 7 1HB ARG 7 0.167 -6.497 -2.109
35 HG2 ARG 7 2HG ARG 7 1.555 -8.451 -0.249
36 HG3 ARG 7 1HG ARG 7 1.194 -8.709 -1.955
37 HD2 ARG 7 2HD ARG 7 3.230 -7.841 -2.390
38 HD3 ARG 7 1HD ARG 7 2.545 -6.279 -1.942
39 HE ARG 7 HE ARG 7 3.325 -7.553 0.438
40 HH11 ARG 7 1HH2 ARG 7 4.698 -6.245 -2.433
41 HH12 ARG 7 2HH2 ARG 7 6.236 -5.937 -1.703
42 HH21 ARG 7 1HH1 ARG 7 5.306 -7.123 1.369
43 HH22 ARG 7 2HH1 ARG 7 6.573 -6.405 0.431
44 H CYS 8 H CYS 8 -0.961 -3.975 0.260
45 HA CYS 8 HA CYS 8 0.000 -2.275 -1.951
46 HB2 CYS 8 2HB CYS 8 -2.412 -2.806 -1.869
47 HB3 CYS 8 1HB CYS 8 -2.506 -2.066 -0.272
48 H ASN 9 H ASN 9 -0.620 -2.253 1.535
49 HA ASN 9 HA ASN 9 -0.109 0.426 2.120
50 HB2 ASN 9 2HB ASN 9 -0.892 -1.338 3.732
51 HB3 ASN 9 1HB ASN 9 0.761 -1.936 3.802
52 HD21 ASN 9 1HD2 ASN 9 2.269 -0.762 5.074
53 HD22 ASN 9 2HD2 ASN 9 1.851 0.619 5.966
54 H TYR 10 H TYR 10 2.062 -2.083 1.185
55 HA TYR 10 HA TYR 10 4.436 -0.491 1.846
56 HB2 TYR 10 2HB TYR 10 4.079 -3.319 0.830
57 HB3 TYR 10 1HB TYR 10 5.648 -2.559 1.095
58 HD1 TYR 10 2HD TYR 10 2.396 -3.174 2.857
59 HD2 TYR 10 1HD TYR 10 6.655 -2.753 3.200
60 HE1 TYR 10 2HE TYR 10 2.260 -3.742 5.269
61 HE2 TYR 10 1HE TYR 10 6.514 -3.320 5.613
62 HH TYR 10 HH TYR 10 4.871 -4.641 7.092
63 H ASP 11 H ASP 11 2.422 -1.402 -0.804
64 HA ASP 11 HA ASP 11 4.370 -0.678 -2.848
65 HB2 ASP 11 2HB ASP 11 2.338 -2.447 -2.877
66 HB3 ASP 11 1HB ASP 11 1.501 -1.051 -3.532
67 H HIS 12 H HIS 12 1.693 0.745 -1.120
68 HA HIS 12 HA HIS 12 1.995 3.225 -2.732
69 HB2 HIS 12 2HB HIS 12 -0.412 2.183 -1.216
70 HB3 HIS 12 1HB HIS 12 -0.306 3.787 -1.925
71 HD2 HIS 12 2HD HIS 12 0.059 0.100 -3.319
72 HE1 HIS 12 1HE HIS 12 -1.665 2.528 -6.296
73 HE2 HIS 12 2HE HIS 12 -0.903 0.170 -5.747
74 HA PRO 13 HA PRO 13 3.456 3.851 1.712
75 HB2 PRO 13 2HB PRO 13 5.846 5.045 0.983
76 HB3 PRO 13 1HB PRO 13 5.649 3.316 1.326
77 HG2 PRO 13 2HG PRO 13 5.783 4.723 -1.290
78 HG3 PRO 13 1HG PRO 13 6.434 3.144 -0.818
79 HD2 PRO 13 2HD PRO 13 4.159 3.409 -2.293
80 HD3 PRO 13 1HD PRO 13 4.425 2.055 -1.173
81 H GLU 14 H GLU 14 4.030 6.033 -1.056
82 HA GLU 14 HA GLU 14 3.912 8.456 0.381
83 HB2 GLU 14 2HB GLU 14 3.361 7.793 -2.514
84 HB3 GLU 14 1HB GLU 14 3.360 9.443 -1.888
85 HG2 GLU 14 2HG GLU 14 5.657 9.366 -1.335
86 HG3 GLU 14 1HG GLU 14 5.701 7.606 -1.380
87 H ILE 15 H ILE 15 1.468 6.240 -0.340
88 HA ILE 15 HA ILE 15 -0.696 8.222 -0.212
89 HB ILE 15 HB ILE 15 -0.832 5.217 -0.567
90 HG12 ILE 15 2HG1 ILE 15 -0.837 7.511 -2.550
91 HG13 ILE 15 1HG1 ILE 15 0.334 6.197 -2.448
92 HG21 ILE 15 1HG2 ILE 15 -3.125 5.671 -1.306
93 HG22 ILE 15 2HG2 ILE 15 -2.890 7.397 -1.041
94 HG23 ILE 15 3HG2 ILE 15 -2.893 6.288 0.330
95 HD11 ILE 15 3HD1 ILE 15 -2.461 6.168 -3.494
96 HD12 ILE 15 1HD1 ILE 15 -1.855 4.705 -2.724
97 HD13 ILE 15 2HD1 ILE 15 -1.023 5.373 -4.126
98 H ABA 16 H ABA 16 0.164 5.151 1.387
99 HA ABA 16 HA ABA 16 -1.580 5.709 3.629
100 HB3 ABA 16 1HB ABA 16 -0.307 3.581 4.502
101 HB2 ABA 16 2HB ABA 16 0.249 3.471 2.832
102 HG1 ABA 16 HG ABA 16 -2.507 2.942 3.838
103 HN1 NH2 17 2H ABA 16 2.301 6.542 4.589
104 HN2 NH2 17 1H ABA 16 1.956 5.838 3.086
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -9.678 2.752 -2.504
2 H2 GLY 1 2HT GLY 1 -9.185 1.354 -1.674
3 H3 GLY 1 3HT GLY 1 -8.870 1.512 -3.330
4 HA2 GLY 1 2HA GLY 1 -7.301 3.237 -2.979
5 HA3 GLY 1 1HA GLY 1 -7.746 3.330 -1.275
6 H CYS 2 H CYS 2 -5.422 2.239 -3.267
7 HA CYS 2 HA CYS 2 -4.690 -0.318 -2.829
8 HB2 CYS 2 2HB CYS 2 -3.361 1.726 -3.827
9 HB3 CYS 2 1HB CYS 2 -2.624 1.771 -2.229
10 H ABA 3 H ABA 3 -4.189 2.290 -0.441
11 HA ABA 3 HA ABA 3 -2.890 0.884 1.542
12 HB3 ABA 3 1HB ABA 3 -4.513 2.473 3.046
13 HB2 ABA 3 2HB ABA 3 -4.627 3.265 1.472
14 HG1 ABA 3 HG ABA 3 -2.338 3.930 1.598
15 H SER 4 H SER 4 -6.050 0.251 0.402
16 HA SER 4 HA SER 4 -7.245 -0.803 2.754
17 HB2 SER 4 2HB SER 4 -8.771 -1.945 1.255
18 HB3 SER 4 1HB SER 4 -8.468 -0.326 0.627
19 HG SER 4 HG SER 4 -6.971 -2.608 -0.176
20 H ASP 5 H ASP 5 -4.801 -1.972 0.598
21 HA ASP 5 HA ASP 5 -4.923 -4.688 1.729
22 HB2 ASP 5 2HB ASP 5 -4.229 -3.610 -0.826
23 HB3 ASP 5 1HB ASP 5 -2.808 -4.409 -0.164
24 HA PRO 6 HA PRO 6 -1.608 -3.773 4.526
25 HB2 PRO 6 2HB PRO 6 -0.636 -6.330 4.868
26 HB3 PRO 6 1HB PRO 6 -2.095 -5.708 5.661
27 HG2 PRO 6 2HG PRO 6 -1.846 -7.430 3.244
28 HG3 PRO 6 1HG PRO 6 -3.020 -7.502 4.570
29 HD2 PRO 6 2HD PRO 6 -3.628 -6.423 2.146
30 HD3 PRO 6 1HD PRO 6 -4.359 -5.840 3.659
31 H ARG 7 H ARG 7 -1.085 -5.436 1.515
32 HA ARG 7 HA ARG 7 1.814 -5.128 1.637
33 HB2 ARG 7 2HB ARG 7 0.058 -6.836 0.246
34 HB3 ARG 7 1HB ARG 7 0.812 -5.819 -0.983
35 HG2 ARG 7 2HG ARG 7 2.400 -7.510 -0.801
36 HG3 ARG 7 1HG ARG 7 3.027 -6.353 0.372
37 HD2 ARG 7 2HD ARG 7 1.130 -8.592 1.115
38 HD3 ARG 7 1HD ARG 7 2.884 -8.760 1.184
39 HE ARG 7 HE ARG 7 2.544 -6.558 2.671
40 HH11 ARG 7 1HH2 ARG 7 0.846 -9.549 2.636
41 HH12 ARG 7 2HH2 ARG 7 0.376 -9.446 4.296
42 HH21 ARG 7 1HH1 ARG 7 1.934 -6.443 4.819
43 HH22 ARG 7 2HH1 ARG 7 0.985 -7.705 5.513
44 H CYS 8 H CYS 8 -0.925 -3.403 0.500
45 HA CYS 8 HA CYS 8 0.195 -1.902 -1.596
46 HB2 CYS 8 2HB CYS 8 -2.058 -1.497 0.300
47 HB3 CYS 8 1HB CYS 8 -1.460 -0.078 -0.557
48 H ASN 9 H ASN 9 0.618 -1.638 1.870
49 HA ASN 9 HA ASN 9 1.705 0.987 1.915
50 HB2 ASN 9 2HB ASN 9 0.894 -0.480 3.891
51 HB3 ASN 9 1HB ASN 9 2.511 -1.179 3.845
52 HD21 ASN 9 1HD2 ASN 9 3.615 -0.197 5.552
53 HD22 ASN 9 2HD2 ASN 9 3.664 1.475 5.827
54 H TYR 10 H TYR 10 2.921 -1.976 0.777
55 HA TYR 10 HA TYR 10 5.730 -1.154 0.980
56 HB2 TYR 10 2HB TYR 10 4.403 -3.648 -0.110
57 HB3 TYR 10 1HB TYR 10 6.142 -3.375 -0.103
58 HD1 TYR 10 2HD TYR 10 3.165 -3.476 2.171
59 HD2 TYR 10 1HD TYR 10 7.422 -3.925 1.795
60 HE1 TYR 10 2HE TYR 10 3.286 -4.314 4.506
61 HE2 TYR 10 1HE TYR 10 7.536 -4.765 4.130
62 HH TYR 10 HH TYR 10 5.982 -4.430 6.277
63 H ASP 11 H ASP 11 3.125 -1.501 -1.318
64 HA ASP 11 HA ASP 11 4.853 -0.823 -3.586
65 HB2 ASP 11 2HB ASP 11 2.485 -2.334 -3.260
66 HB3 ASP 11 1HB ASP 11 2.058 -0.946 -4.253
67 H HIS 12 H HIS 12 2.172 0.564 -1.721
68 HA HIS 12 HA HIS 12 2.649 3.150 -3.104
69 HB2 HIS 12 2HB HIS 12 0.078 1.875 -2.177
70 HB3 HIS 12 1HB HIS 12 0.203 3.604 -2.459
71 HD2 HIS 12 2HD HIS 12 0.463 0.278 -4.543
72 HE1 HIS 12 1HE HIS 12 -0.006 3.505 -7.217
73 HE2 HIS 12 2HE HIS 12 0.125 0.975 -7.039
74 HA PRO 13 HA PRO 13 3.437 3.220 1.662
75 HB2 PRO 13 2HB PRO 13 5.789 4.720 0.602
76 HB3 PRO 13 1HB PRO 13 5.703 3.537 1.921
77 HG2 PRO 13 2HG PRO 13 6.725 2.949 -0.495
78 HG3 PRO 13 1HG PRO 13 5.898 1.755 0.516
79 HD2 PRO 13 2HD PRO 13 4.974 3.044 -1.989
80 HD3 PRO 13 1HD PRO 13 4.479 1.505 -1.254
81 H GLU 14 H GLU 14 4.212 5.730 -0.760
82 HA GLU 14 HA GLU 14 3.790 8.005 0.760
83 HB2 GLU 14 2HB GLU 14 3.392 7.439 -2.173
84 HB3 GLU 14 1HB GLU 14 3.141 9.049 -1.497
85 HG2 GLU 14 2HG GLU 14 5.662 7.701 -0.693
86 HG3 GLU 14 1HG GLU 14 5.556 8.164 -2.389
87 H ILE 15 H ILE 15 1.417 5.758 -0.360
88 HA ILE 15 HA ILE 15 -0.795 7.655 -0.080
89 HB ILE 15 HB ILE 15 -0.853 4.695 -0.698
90 HG12 ILE 15 2HG1 ILE 15 -0.639 7.159 -2.438
91 HG13 ILE 15 1HG1 ILE 15 0.405 5.739 -2.439
92 HG21 ILE 15 1HG2 ILE 15 -3.087 5.271 -1.620
93 HG22 ILE 15 2HG2 ILE 15 -2.885 6.923 -1.046
94 HG23 ILE 15 3HG2 ILE 15 -2.991 5.595 0.109
95 HD11 ILE 15 3HD1 ILE 15 -0.991 5.442 -4.329
96 HD12 ILE 15 1HD1 ILE 15 -2.427 5.974 -3.455
97 HD13 ILE 15 2HD1 ILE 15 -1.701 4.408 -3.092
98 H ABA 16 H ABA 16 0.465 4.765 1.515
99 HA ABA 16 HA ABA 16 -1.564 5.023 3.637
100 HB3 ABA 16 1HB ABA 16 -0.125 2.825 4.319
101 HB2 ABA 16 2HB ABA 16 0.122 2.836 2.576
102 HG1 ABA 16 HG ABA 16 -2.192 1.783 3.772
103 HN1 NH2 17 2H ABA 16 2.240 5.890 4.785
104 HN2 NH2 17 1H ABA 16 1.915 5.471 3.172
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -6.805 3.958 -3.030
2 H2 GLY 1 2HT GLY 1 -6.099 3.485 -1.564
3 H3 GLY 1 3HT GLY 1 -7.449 4.508 -1.563
4 HA2 GLY 1 2HA GLY 1 -8.585 2.618 -1.168
5 HA3 GLY 1 1HA GLY 1 -8.443 2.435 -2.915
6 H CYS 2 H CYS 2 -6.072 1.603 -3.502
7 HA CYS 2 HA CYS 2 -5.910 -1.078 -2.636
8 HB2 CYS 2 2HB CYS 2 -4.987 -0.312 -4.790
9 HB3 CYS 2 1HB CYS 2 -3.755 0.612 -3.928
10 H ABA 3 H ABA 3 -4.129 1.815 -1.631
11 HA ABA 3 HA ABA 3 -2.094 0.810 -0.112
12 HB3 ABA 3 1HB ABA 3 -3.812 2.996 1.018
13 HB2 ABA 3 2HB ABA 3 -2.884 3.255 -0.459
14 HG1 ABA 3 HG ABA 3 -0.781 2.940 0.752
15 H SER 4 H SER 4 -5.494 0.592 0.572
16 HA SER 4 HA SER 4 -5.509 0.073 3.321
17 HB2 SER 4 2HB SER 4 -7.579 -1.240 2.838
18 HB3 SER 4 1HB SER 4 -7.573 0.349 2.076
19 HG SER 4 HG SER 4 -7.413 -0.554 0.152
20 H ASP 5 H ASP 5 -4.853 -2.070 0.582
21 HA ASP 5 HA ASP 5 -4.705 -4.486 2.062
22 HB2 ASP 5 2HB ASP 5 -4.334 -3.647 -0.650
23 HB3 ASP 5 1HB ASP 5 -2.954 -4.627 -0.179
24 HA PRO 6 HA PRO 6 -0.958 -3.728 4.369
25 HB2 PRO 6 2HB PRO 6 -0.308 -6.497 4.493
26 HB3 PRO 6 1HB PRO 6 -1.155 -5.543 5.720
27 HG2 PRO 6 2HG PRO 6 -2.236 -7.378 3.683
28 HG3 PRO 6 1HG PRO 6 -2.887 -6.933 5.269
29 HD2 PRO 6 2HD PRO 6 -3.965 -6.017 2.947
30 HD3 PRO 6 1HD PRO 6 -3.979 -5.050 4.443
31 H ARG 7 H ARG 7 -1.169 -5.777 1.532
32 HA ARG 7 HA ARG 7 1.662 -5.811 0.995
33 HB2 ARG 7 2HB ARG 7 -0.767 -6.936 -0.186
34 HB3 ARG 7 1HB ARG 7 0.387 -6.380 -1.400
35 HG2 ARG 7 2HG ARG 7 1.062 -8.222 0.915
36 HG3 ARG 7 1HG ARG 7 0.780 -8.750 -0.742
37 HD2 ARG 7 2HD ARG 7 3.034 -8.499 -0.950
38 HD3 ARG 7 1HD ARG 7 2.628 -6.794 -1.160
39 HE ARG 7 HE ARG 7 2.950 -7.527 1.616
40 HH11 ARG 7 1HH2 ARG 7 4.584 -6.605 -1.281
41 HH12 ARG 7 2HH2 ARG 7 5.964 -5.990 -0.437
42 HH21 ARG 7 1HH1 ARG 7 4.714 -6.698 2.669
43 HH22 ARG 7 2HH1 ARG 7 6.035 -6.038 1.770
44 H CYS 8 H CYS 8 -1.007 -3.751 0.290
45 HA CYS 8 HA CYS 8 0.363 -2.310 -1.834
46 HB2 CYS 8 2HB CYS 8 -2.272 -2.670 -1.285
47 HB3 CYS 8 1HB CYS 8 -2.005 -1.079 -0.581
48 H ASN 9 H ASN 9 -0.202 -2.003 1.607
49 HA ASN 9 HA ASN 9 0.366 0.680 2.026
50 HB2 ASN 9 2HB ASN 9 -0.283 -1.117 3.747
51 HB3 ASN 9 1HB ASN 9 1.437 -1.486 3.831
52 HD21 ASN 9 1HD2 ASN 9 2.541 1.123 3.647
53 HD22 ASN 9 2HD2 ASN 9 2.046 2.013 5.005
54 H TYR 10 H TYR 10 2.511 -1.926 1.214
55 HA TYR 10 HA TYR 10 4.900 -0.256 1.567
56 HB2 TYR 10 2HB TYR 10 4.485 -3.162 0.845
57 HB3 TYR 10 1HB TYR 10 6.069 -2.383 0.847
58 HD1 TYR 10 1HD TYR 10 3.114 -3.154 2.970
59 HD2 TYR 10 2HD TYR 10 7.253 -2.021 2.876
60 HE1 TYR 10 1HE TYR 10 3.257 -3.462 5.432
61 HE2 TYR 10 2HE TYR 10 7.392 -2.333 5.336
62 HH TYR 10 HH TYR 10 6.183 -3.634 7.089
63 H ASP 11 H ASP 11 2.762 -1.527 -0.824
64 HA ASP 11 HA ASP 11 4.441 -1.062 -3.111
65 HB2 ASP 11 2HB ASP 11 2.158 -2.505 -2.651
66 HB3 ASP 11 1HB ASP 11 1.516 -1.107 -3.503
67 H HIS 12 H HIS 12 2.103 0.753 -1.253
68 HA HIS 12 HA HIS 12 2.685 3.152 -2.893
69 HB2 HIS 12 2HB HIS 12 0.015 2.073 -2.031
70 HB3 HIS 12 1HB HIS 12 0.238 3.802 -2.261
71 HD2 HIS 12 2HD HIS 12 0.878 0.577 -4.474
72 HE1 HIS 12 1HE HIS 12 -0.096 3.818 -6.994
73 HE2 HIS 12 2HE HIS 12 0.435 1.330 -6.937
74 HA PRO 13 HA PRO 13 3.575 3.582 1.772
75 HB2 PRO 13 2HB PRO 13 5.834 5.083 0.528
76 HB3 PRO 13 1HB PRO 13 5.843 3.967 1.908
77 HG2 PRO 13 2HG PRO 13 6.777 3.245 -0.485
78 HG3 PRO 13 1HG PRO 13 5.933 2.105 0.577
79 HD2 PRO 13 2HD PRO 13 4.961 3.417 -1.922
80 HD3 PRO 13 1HD PRO 13 4.534 1.837 -1.232
81 H GLU 14 H GLU 14 3.826 5.898 -0.907
82 HA GLU 14 HA GLU 14 3.525 8.266 0.586
83 HB2 GLU 14 2HB GLU 14 2.817 7.639 -2.288
84 HB3 GLU 14 1HB GLU 14 2.833 9.262 -1.599
85 HG2 GLU 14 2HG GLU 14 5.228 8.914 -0.947
86 HG3 GLU 14 1HG GLU 14 5.193 7.360 -1.773
87 H ILE 15 H ILE 15 1.247 5.837 -0.225
88 HA ILE 15 HA ILE 15 -1.054 7.620 0.231
89 HB ILE 15 HB ILE 15 -1.046 4.688 -0.519
90 HG12 ILE 15 2HG1 ILE 15 -1.104 7.197 -2.215
91 HG13 ILE 15 1HG1 ILE 15 0.095 5.907 -2.267
92 HG21 ILE 15 1HG2 ILE 15 -3.134 5.585 0.481
93 HG22 ILE 15 2HG2 ILE 15 -3.350 5.170 -1.218
94 HG23 ILE 15 3HG2 ILE 15 -3.159 6.856 -0.738
95 HD11 ILE 15 3HD1 ILE 15 -2.815 5.734 -3.070
96 HD12 ILE 15 1HD1 ILE 15 -1.773 4.324 -2.890
97 HD13 ILE 15 2HD1 ILE 15 -1.402 5.542 -4.109
98 H ABA 16 H ABA 16 0.552 4.772 1.537
99 HA ABA 16 HA ABA 16 -1.067 5.032 4.012
100 HB3 ABA 16 1HB ABA 16 -0.737 2.638 4.363
101 HB2 ABA 16 2HB ABA 16 0.228 2.536 2.895
102 HG1 ABA 16 HG ABA 16 -2.760 2.753 3.080
103 HN1 NH2 17 2H ABA 16 2.924 4.151 4.404
104 HN2 NH2 17 1H ABA 16 2.076 3.522 3.082
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -9.267 1.342 -2.408
2 H2 GLY 1 2HT GLY 1 -8.344 2.348 -3.419
3 H3 GLY 1 3HT GLY 1 -9.671 2.979 -2.569
4 HA2 GLY 1 2HA GLY 1 -7.546 3.606 -1.546
5 HA3 GLY 1 1HA GLY 1 -8.565 2.653 -0.470
6 H CYS 2 H CYS 2 -5.868 2.404 -2.781
7 HA CYS 2 HA CYS 2 -5.119 -0.230 -2.471
8 HB2 CYS 2 2HB CYS 2 -3.980 1.964 -3.664
9 HB3 CYS 2 1HB CYS 2 -2.823 1.603 -2.385
10 H ABA 3 H ABA 3 -4.596 2.428 -0.224
11 HA ABA 3 HA ABA 3 -2.742 1.222 1.509
12 HB3 ABA 3 1HB ABA 3 -4.373 2.782 3.141
13 HB2 ABA 3 2HB ABA 3 -4.522 3.530 1.554
14 HG1 ABA 3 HG ABA 3 -2.061 3.866 1.459
15 H SER 4 H SER 4 -5.771 0.116 0.750
16 HA SER 4 HA SER 4 -6.570 -0.833 3.372
17 HB2 SER 4 2HB SER 4 -8.178 -0.242 1.508
18 HB3 SER 4 1HB SER 4 -7.640 -1.702 0.680
19 HG SER 4 HG SER 4 -8.153 -2.724 2.843
20 H ASP 5 H ASP 5 -4.404 -1.888 0.956
21 HA ASP 5 HA ASP 5 -4.451 -4.637 2.064
22 HB2 ASP 5 2HB ASP 5 -4.752 -3.892 -0.583
23 HB3 ASP 5 1HB ASP 5 -3.060 -4.329 -0.484
24 HA PRO 6 HA PRO 6 -0.496 -3.280 3.813
25 HB2 PRO 6 2HB PRO 6 -0.336 -6.259 4.113
26 HB3 PRO 6 1HB PRO 6 0.008 -4.989 5.304
27 HG2 PRO 6 2HG PRO 6 -2.249 -6.425 5.375
28 HG3 PRO 6 1HG PRO 6 -2.198 -4.721 5.858
29 HD2 PRO 6 2HD PRO 6 -3.391 -5.942 3.428
30 HD3 PRO 6 1HD PRO 6 -3.793 -4.411 4.237
31 H ARG 7 H ARG 7 -1.205 -5.643 1.364
32 HA ARG 7 HA ARG 7 1.461 -6.116 0.461
33 HB2 ARG 7 2HB ARG 7 -1.292 -6.634 -0.585
34 HB3 ARG 7 1HB ARG 7 0.053 -6.703 -1.721
35 HG2 ARG 7 2HG ARG 7 -0.366 -8.930 -0.783
36 HG3 ARG 7 1HG ARG 7 1.204 -8.334 -0.244
37 HD2 ARG 7 2HD ARG 7 -0.080 -9.369 1.609
38 HD3 ARG 7 1HD ARG 7 0.246 -7.663 1.910
39 HE ARG 7 HE ARG 7 -2.196 -7.520 0.777
40 HH11 ARG 7 1HH2 ARG 7 -0.944 -9.645 3.181
41 HH12 ARG 7 2HH2 ARG 7 -2.468 -9.843 3.965
42 HH21 ARG 7 1HH1 ARG 7 -4.127 -7.768 1.794
43 HH22 ARG 7 2HH1 ARG 7 -4.264 -8.790 3.191
44 H CYS 8 H CYS 8 -0.998 -3.748 -0.221
45 HA CYS 8 HA CYS 8 0.586 -2.546 -2.377
46 HB2 CYS 8 2HB CYS 8 -1.948 -2.666 -2.436
47 HB3 CYS 8 1HB CYS 8 -1.952 -1.470 -1.140
48 H ASN 9 H ASN 9 -0.398 -1.910 0.948
49 HA ASN 9 HA ASN 9 0.572 0.708 1.223
50 HB2 ASN 9 2HB ASN 9 0.529 -1.501 3.291
51 HB3 ASN 9 1HB ASN 9 0.688 0.219 3.635
52 HD21 ASN 9 1HD2 ASN 9 -1.332 0.519 4.705
53 HD22 ASN 9 2HD2 ASN 9 -2.826 0.280 3.933
54 H TYR 10 H TYR 10 2.260 -2.317 1.085
55 HA TYR 10 HA TYR 10 4.749 -1.290 2.138
56 HB2 TYR 10 2HB TYR 10 4.861 -3.533 2.470
57 HB3 TYR 10 1HB TYR 10 3.696 -3.876 1.194
58 HD1 TYR 10 1HD TYR 10 7.255 -3.339 1.977
59 HD2 TYR 10 2HD TYR 10 4.410 -4.215 -1.117
60 HE1 TYR 10 1HE TYR 10 9.107 -4.006 0.460
61 HE2 TYR 10 2HE TYR 10 6.263 -4.883 -2.631
62 HH TYR 10 HH TYR 10 8.461 -5.420 -2.710
63 H ASP 11 H ASP 11 3.276 -1.822 -1.001
64 HA ASP 11 HA ASP 11 5.687 -1.047 -2.444
65 HB2 ASP 11 2HB ASP 11 4.112 -2.812 -3.279
66 HB3 ASP 11 1HB ASP 11 2.906 -1.554 -3.524
67 H HIS 12 H HIS 12 2.652 0.384 -1.410
68 HA HIS 12 HA HIS 12 3.505 2.916 -2.692
69 HB2 HIS 12 2HB HIS 12 0.802 1.635 -2.543
70 HB3 HIS 12 1HB HIS 12 0.941 3.384 -2.660
71 HD2 HIS 12 2HD HIS 12 1.842 0.223 -4.798
72 HE1 HIS 12 1HE HIS 12 2.228 3.636 -7.255
73 HE2 HIS 12 2HE HIS 12 2.288 1.092 -7.226
74 HA PRO 13 HA PRO 13 3.151 3.583 1.908
75 HB2 PRO 13 2HB PRO 13 5.482 5.054 2.067
76 HB3 PRO 13 1HB PRO 13 5.396 3.298 2.298
77 HG2 PRO 13 2HG PRO 13 6.232 4.851 -0.098
78 HG3 PRO 13 1HG PRO 13 6.896 3.348 0.566
79 HD2 PRO 13 2HD PRO 13 5.247 3.378 -1.605
80 HD3 PRO 13 1HD PRO 13 5.291 2.023 -0.455
81 H GLU 14 H GLU 14 4.200 5.779 -0.679
82 HA GLU 14 HA GLU 14 3.567 8.248 0.469
83 HB2 GLU 14 2HB GLU 14 3.990 7.200 -2.256
84 HB3 GLU 14 1HB GLU 14 2.982 8.645 -2.179
85 HG2 GLU 14 2HG GLU 14 5.365 8.774 -0.446
86 HG3 GLU 14 1HG GLU 14 5.744 8.646 -2.159
87 H ILE 15 H ILE 15 1.460 5.737 -0.367
88 HA ILE 15 HA ILE 15 -0.866 7.454 -0.830
89 HB ILE 15 HB ILE 15 -0.555 4.444 -0.739
90 HG12 ILE 15 2HG1 ILE 15 -0.701 6.493 -2.954
91 HG13 ILE 15 1HG1 ILE 15 0.606 5.360 -2.629
92 HG21 ILE 15 1HG2 ILE 15 -2.897 6.173 -1.607
93 HG22 ILE 15 2HG2 ILE 15 -2.849 5.177 -0.151
94 HG23 ILE 15 3HG2 ILE 15 -2.810 4.417 -1.741
95 HD11 ILE 15 3HD1 ILE 15 -1.276 3.549 -2.934
96 HD12 ILE 15 1HD1 ILE 15 -0.515 4.267 -4.353
97 HD13 ILE 15 2HD1 ILE 15 -2.097 4.834 -3.818
98 H ABA 16 H ABA 16 0.508 5.373 1.605
99 HA ABA 16 HA ABA 16 -1.767 5.947 3.412
100 HB3 ABA 16 1HB ABA 16 -0.351 4.032 4.713
101 HB2 ABA 16 2HB ABA 16 0.028 3.625 3.039
102 HG1 ABA 16 HG ABA 16 -2.466 3.034 4.373
103 HN1 NH2 17 2H ABA 16 1.901 7.247 4.563
104 HN2 NH2 17 1H ABA 16 1.712 6.437 3.083
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -6.971 4.188 0.932
2 H2 GLY 1 2HT GLY 1 -7.911 2.947 1.601
3 H3 GLY 1 3HT GLY 1 -8.650 4.374 1.057
4 HA2 GLY 1 2HA GLY 1 -9.058 2.709 -0.577
5 HA3 GLY 1 1HA GLY 1 -7.884 3.848 -1.234
6 H CYS 2 H CYS 2 -6.120 2.928 -2.159
7 HA CYS 2 HA CYS 2 -5.597 0.234 -2.373
8 HB2 CYS 2 2HB CYS 2 -4.377 2.309 -3.449
9 HB3 CYS 2 1HB CYS 2 -3.241 2.064 -2.121
10 H ABA 3 H ABA 3 -5.023 2.280 0.355
11 HA ABA 3 HA ABA 3 -3.071 0.867 1.773
12 HB3 ABA 3 1HB ABA 3 -4.941 1.730 3.683
13 HB2 ABA 3 2HB ABA 3 -5.099 2.873 2.353
14 HG1 ABA 3 HG ABA 3 -2.960 2.872 4.279
15 H SER 4 H SER 4 -6.233 -0.040 0.884
16 HA SER 4 HA SER 4 -7.049 -1.758 2.927
17 HB2 SER 4 2HB SER 4 -7.944 -3.093 0.762
18 HB3 SER 4 1HB SER 4 -8.705 -1.621 1.358
19 HG SER 4 HG SER 4 -7.433 -0.442 -0.131
20 H ASP 5 H ASP 5 -4.761 -2.263 0.291
21 HA ASP 5 HA ASP 5 -4.242 -5.002 1.216
22 HB2 ASP 5 2HB ASP 5 -4.463 -4.351 -1.261
23 HB3 ASP 5 1HB ASP 5 -2.876 -3.631 -1.086
24 HA PRO 6 HA PRO 6 -0.917 -3.251 3.689
25 HB2 PRO 6 2HB PRO 6 -0.215 -6.130 3.948
26 HB3 PRO 6 1HB PRO 6 -0.471 -4.914 5.213
27 HG2 PRO 6 2HG PRO 6 -2.271 -6.837 4.699
28 HG3 PRO 6 1HG PRO 6 -2.737 -5.216 5.242
29 HD2 PRO 6 2HD PRO 6 -2.956 -6.424 2.518
30 HD3 PRO 6 1HD PRO 6 -3.982 -5.201 3.303
31 H ARG 7 H ARG 7 -0.812 -5.443 0.993
32 HA ARG 7 HA ARG 7 2.047 -5.310 0.622
33 HB2 ARG 7 2HB ARG 7 -0.233 -6.282 -1.093
34 HB3 ARG 7 1HB ARG 7 1.415 -6.207 -1.700
35 HG2 ARG 7 2HG ARG 7 2.150 -7.919 -0.346
36 HG3 ARG 7 1HG ARG 7 1.011 -7.529 0.943
37 HD2 ARG 7 2HD ARG 7 0.317 -8.846 -1.700
38 HD3 ARG 7 1HD ARG 7 0.398 -9.650 -0.129
39 HE ARG 7 HE ARG 7 -1.408 -7.363 -0.220
40 HH11 ARG 7 1HH2 ARG 7 -1.061 -10.748 -0.750
41 HH12 ARG 7 2HH2 ARG 7 -2.723 -11.089 -0.421
42 HH21 ARG 7 1HH1 ARG 7 -3.521 -7.804 0.157
43 HH22 ARG 7 2HH1 ARG 7 -4.114 -9.429 0.090
44 H CYS 8 H CYS 8 -0.788 -3.595 -0.509
45 HA CYS 8 HA CYS 8 0.639 -2.037 -2.477
46 HB2 CYS 8 2HB CYS 8 -1.772 -2.337 -2.719
47 HB3 CYS 8 1HB CYS 8 -2.049 -1.555 -1.161
48 H ASN 9 H ASN 9 -0.473 -1.501 0.839
49 HA ASN 9 HA ASN 9 0.560 1.166 0.977
50 HB2 ASN 9 2HB ASN 9 -0.758 1.171 2.793
51 HB3 ASN 9 1HB ASN 9 -1.013 -0.560 2.622
52 HD21 ASN 9 1HD2 ASN 9 0.815 1.890 4.368
53 HD22 ASN 9 2HD2 ASN 9 1.515 0.817 5.479
54 H TYR 10 H TYR 10 1.990 -1.926 1.190
55 HA TYR 10 HA TYR 10 4.283 -1.039 2.749
56 HB2 TYR 10 2HB TYR 10 3.876 -3.261 3.235
57 HB3 TYR 10 1HB TYR 10 3.301 -3.615 1.605
58 HD1 TYR 10 1HD TYR 10 4.833 -4.061 -0.209
59 HD2 TYR 10 2HD TYR 10 6.277 -3.244 3.747
60 HE1 TYR 10 1HE TYR 10 7.082 -4.904 -0.855
61 HE2 TYR 10 2HE TYR 10 8.526 -4.081 3.106
62 HH TYR 10 HH TYR 10 9.280 -4.908 -0.224
63 H ASP 11 H ASP 11 3.433 -1.811 -0.591
64 HA ASP 11 HA ASP 11 6.155 -1.309 -1.515
65 HB2 ASP 11 2HB ASP 11 4.487 -3.087 -2.433
66 HB3 ASP 11 1HB ASP 11 3.786 -1.735 -3.315
67 H HIS 12 H HIS 12 3.007 0.269 -1.523
68 HA HIS 12 HA HIS 12 4.300 2.640 -2.749
69 HB2 HIS 12 2HB HIS 12 1.523 1.519 -3.074
70 HB3 HIS 12 1HB HIS 12 1.866 3.211 -3.401
71 HD2 HIS 12 2HD HIS 12 2.805 -0.307 -4.873
72 HE1 HIS 12 1HE HIS 12 4.110 2.660 -7.577
73 HE2 HIS 12 2HE HIS 12 3.825 0.155 -7.238
74 HA PRO 13 HA PRO 13 2.983 3.244 1.839
75 HB2 PRO 13 2HB PRO 13 5.477 4.870 1.493
76 HB3 PRO 13 1HB PRO 13 4.934 3.919 2.890
77 HG2 PRO 13 2HG PRO 13 6.820 3.030 1.213
78 HG3 PRO 13 1HG PRO 13 5.667 1.943 2.001
79 HD2 PRO 13 2HD PRO 13 5.822 2.744 -0.845
80 HD3 PRO 13 1HD PRO 13 5.057 1.321 -0.107
81 H GLU 14 H GLU 14 4.459 5.665 -0.339
82 HA GLU 14 HA GLU 14 3.427 8.006 0.565
83 HB2 GLU 14 2HB GLU 14 2.998 7.988 -2.283
84 HB3 GLU 14 1HB GLU 14 4.267 8.783 -1.357
85 HG2 GLU 14 2HG GLU 14 5.580 6.689 -1.351
86 HG3 GLU 14 1HG GLU 14 4.300 5.887 -2.260
87 H ILE 15 H ILE 15 1.687 5.717 -1.511
88 HA ILE 15 HA ILE 15 -0.689 7.141 -1.880
89 HB ILE 15 HB ILE 15 -0.333 4.153 -1.577
90 HG12 ILE 15 2HG1 ILE 15 -0.096 6.043 -3.925
91 HG13 ILE 15 1HG1 ILE 15 1.164 5.007 -3.264
92 HG21 ILE 15 1HG2 ILE 15 -2.484 5.823 -2.918
93 HG22 ILE 15 2HG2 ILE 15 -2.689 4.825 -1.479
94 HG23 ILE 15 3HG2 ILE 15 -2.347 4.070 -3.035
95 HD11 ILE 15 3HD1 ILE 15 0.364 3.839 -5.170
96 HD12 ILE 15 1HD1 ILE 15 -1.319 4.187 -4.771
97 HD13 ILE 15 2HD1 ILE 15 -0.400 3.044 -3.793
98 H ABA 16 H ABA 16 0.323 5.117 0.805
99 HA ABA 16 HA ABA 16 -2.216 5.698 2.197
100 HB3 ABA 16 1HB ABA 16 -1.028 3.888 3.802
101 HB2 ABA 16 2HB ABA 16 -0.283 3.456 2.261
102 HG1 ABA 16 HG ABA 16 -2.607 3.216 1.262
103 HN1 NH2 17 2H ABA 16 1.165 7.122 3.961
104 HN2 NH2 17 1H ABA 16 1.273 6.218 2.526
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -8.861 2.807 0.027
2 H2 GLY 1 2HT GLY 1 -8.597 3.891 -1.254
3 H3 GLY 1 3HT GLY 1 -7.291 3.060 -0.557
4 HA2 GLY 1 2HA GLY 1 -9.483 1.498 -1.723
5 HA3 GLY 1 1HA GLY 1 -8.314 2.255 -2.805
6 H CYS 2 H CYS 2 -6.506 1.124 -3.229
7 HA CYS 2 HA CYS 2 -6.023 -1.439 -2.174
8 HB2 CYS 2 2HB CYS 2 -4.172 -1.529 -3.542
9 HB3 CYS 2 1HB CYS 2 -5.069 -0.235 -4.325
10 H ABA 3 H ABA 3 -5.051 1.709 -1.020
11 HA ABA 3 HA ABA 3 -2.818 1.160 0.497
12 HB3 ABA 3 1HB ABA 3 -5.075 2.848 1.574
13 HB2 ABA 3 2HB ABA 3 -4.070 3.386 0.231
14 HG1 ABA 3 HG ABA 3 -3.348 3.587 3.012
15 H SER 4 H SER 4 -6.139 0.234 1.142
16 HA SER 4 HA SER 4 -5.809 -0.555 3.855
17 HB2 SER 4 2HB SER 4 -8.047 -0.526 3.398
18 HB3 SER 4 1HB SER 4 -7.812 -0.982 1.714
19 HG SER 4 HG SER 4 -7.475 -2.742 3.933
20 H ASP 5 H ASP 5 -4.720 -1.893 0.902
21 HA ASP 5 HA ASP 5 -4.422 -4.611 1.892
22 HB2 ASP 5 2HB ASP 5 -4.862 -3.907 -0.551
23 HB3 ASP 5 1HB ASP 5 -3.163 -3.485 -0.601
24 HA PRO 6 HA PRO 6 -0.543 -3.503 3.900
25 HB2 PRO 6 2HB PRO 6 -0.245 -6.461 3.961
26 HB3 PRO 6 1HB PRO 6 -0.163 -5.293 5.293
27 HG2 PRO 6 2HG PRO 6 -2.263 -6.938 4.909
28 HG3 PRO 6 1HG PRO 6 -2.408 -5.338 5.650
29 HD2 PRO 6 2HD PRO 6 -3.250 -6.237 2.950
30 HD3 PRO 6 1HD PRO 6 -3.878 -4.908 3.946
31 H ARG 7 H ARG 7 -1.168 -5.481 1.143
32 HA ARG 7 HA ARG 7 1.610 -5.761 0.365
33 HB2 ARG 7 2HB ARG 7 -0.739 -7.093 -0.269
34 HB3 ARG 7 1HB ARG 7 -0.374 -6.186 -1.730
35 HG2 ARG 7 2HG ARG 7 1.087 -7.828 -2.247
36 HG3 ARG 7 1HG ARG 7 2.100 -7.220 -0.937
37 HD2 ARG 7 2HD ARG 7 -0.177 -9.047 -0.259
38 HD3 ARG 7 1HD ARG 7 1.283 -9.743 -0.952
39 HE ARG 7 HE ARG 7 1.092 -8.333 1.634
40 HH11 ARG 7 1HH2 ARG 7 2.912 -10.082 -0.697
41 HH12 ARG 7 2HH2 ARG 7 4.207 -10.438 0.387
42 HH21 ARG 7 1HH1 ARG 7 2.770 -8.780 3.028
43 HH22 ARG 7 2HH1 ARG 7 4.132 -9.693 2.484
44 H CYS 8 H CYS 8 -1.089 -3.649 -0.274
45 HA CYS 8 HA CYS 8 0.399 -2.231 -2.384
46 HB2 CYS 8 2HB CYS 8 -2.133 -2.672 -2.473
47 HB3 CYS 8 1HB CYS 8 -2.269 -1.406 -1.255
48 H ASN 9 H ASN 9 -0.720 -1.802 0.930
49 HA ASN 9 HA ASN 9 0.036 0.932 1.195
50 HB2 ASN 9 2HB ASN 9 -1.219 0.494 3.018
51 HB3 ASN 9 1HB ASN 9 -0.892 -1.230 2.934
52 HD21 ASN 9 1HD2 ASN 9 0.613 1.849 4.022
53 HD22 ASN 9 2HD2 ASN 9 1.532 1.124 5.250
54 H TYR 10 H TYR 10 1.837 -1.962 1.022
55 HA TYR 10 HA TYR 10 4.220 -0.844 2.299
56 HB2 TYR 10 2HB TYR 10 4.174 -3.078 2.845
57 HB3 TYR 10 1HB TYR 10 3.315 -3.528 1.376
58 HD1 TYR 10 1HD TYR 10 4.566 -3.614 -0.815
59 HD2 TYR 10 2HD TYR 10 6.550 -3.191 2.970
60 HE1 TYR 10 1HE TYR 10 6.709 -4.324 -1.854
61 HE2 TYR 10 2HE TYR 10 8.686 -3.901 1.932
62 HH TYR 10 HH TYR 10 8.835 -4.873 -1.494
63 H ASP 11 H ASP 11 2.867 -1.524 -0.846
64 HA ASP 11 HA ASP 11 5.330 -1.036 -2.288
65 HB2 ASP 11 2HB ASP 11 3.083 -2.435 -2.877
66 HB3 ASP 11 1HB ASP 11 2.736 -0.927 -3.716
67 H HIS 12 H HIS 12 2.518 0.816 -1.288
68 HA HIS 12 HA HIS 12 3.670 3.173 -2.677
69 HB2 HIS 12 2HB HIS 12 0.802 2.368 -2.239
70 HB3 HIS 12 1HB HIS 12 1.255 4.029 -2.612
71 HD2 HIS 12 2HD HIS 12 1.081 0.565 -4.384
72 HE1 HIS 12 1HE HIS 12 2.420 3.389 -7.223
73 HE2 HIS 12 2HE HIS 12 1.654 0.983 -6.903
74 HA PRO 13 HA PRO 13 3.830 3.700 2.048
75 HB2 PRO 13 2HB PRO 13 6.294 5.097 1.124
76 HB3 PRO 13 1HB PRO 13 6.064 4.004 2.501
77 HG2 PRO 13 2HG PRO 13 7.300 3.260 0.232
78 HG3 PRO 13 1HG PRO 13 6.376 2.139 1.241
79 HD2 PRO 13 2HD PRO 13 5.698 3.250 -1.416
80 HD3 PRO 13 1HD PRO 13 5.120 1.771 -0.624
81 H GLU 14 H GLU 14 4.711 5.992 -0.555
82 HA GLU 14 HA GLU 14 4.133 8.346 0.917
83 HB2 GLU 14 2HB GLU 14 5.307 7.833 -1.490
84 HB3 GLU 14 1HB GLU 14 3.756 8.505 -1.999
85 HG2 GLU 14 2HG GLU 14 5.087 10.428 -1.735
86 HG3 GLU 14 1HG GLU 14 4.219 10.341 -0.206
87 H ILE 15 H ILE 15 2.034 6.039 -0.428
88 HA ILE 15 HA ILE 15 -0.180 7.961 -0.677
89 HB ILE 15 HB ILE 15 -0.079 4.996 -1.299
90 HG12 ILE 15 2HG1 ILE 15 0.237 7.505 -2.959
91 HG13 ILE 15 1HG1 ILE 15 1.323 6.121 -2.866
92 HG21 ILE 15 1HG2 ILE 15 -2.346 5.884 -0.715
93 HG22 ILE 15 2HG2 ILE 15 -2.228 5.388 -2.402
94 HG23 ILE 15 3HG2 ILE 15 -2.165 7.099 -1.982
95 HD11 ILE 15 3HD1 ILE 15 -1.346 6.326 -4.246
96 HD12 ILE 15 1HD1 ILE 15 -0.699 4.755 -3.772
97 HD13 ILE 15 2HD1 ILE 15 0.194 5.773 -4.902
98 H ABA 16 H ABA 16 0.579 4.918 0.990
99 HA ABA 16 HA ABA 16 -1.677 5.341 2.819
100 HB3 ABA 16 1HB ABA 16 -0.974 3.069 3.686
101 HB2 ABA 16 2HB ABA 16 0.220 3.033 2.387
102 HG1 ABA 16 HG ABA 16 -1.487 2.670 0.764
103 HN1 NH2 17 2H ABA 16 1.957 5.498 4.714
104 HN2 NH2 17 1H ABA 16 1.873 4.760 3.189
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -8.683 4.386 -1.714
2 H2 GLY 1 2HT GLY 1 -8.806 2.790 -1.149
3 H3 GLY 1 3HT GLY 1 -9.034 3.132 -2.794
4 HA2 GLY 1 2HA GLY 1 -6.844 3.250 -3.248
5 HA3 GLY 1 1HA GLY 1 -6.485 3.963 -1.680
6 H CYS 2 H CYS 2 -5.742 1.380 -3.410
7 HA CYS 2 HA CYS 2 -6.303 -0.934 -1.983
8 HB2 CYS 2 2HB CYS 2 -4.371 -1.918 -3.008
9 HB3 CYS 2 1HB CYS 2 -5.049 -0.777 -4.168
10 H ABA 3 H ABA 3 -4.679 1.745 -0.788
11 HA ABA 3 HA ABA 3 -2.579 0.895 0.744
12 HB3 ABA 3 1HB ABA 3 -4.257 2.574 2.377
13 HB2 ABA 3 2HB ABA 3 -4.305 3.135 0.708
14 HG1 ABA 3 HG ABA 3 -1.988 3.739 0.787
15 H SER 4 H SER 4 -5.936 0.052 1.178
16 HA SER 4 HA SER 4 -5.747 -0.816 3.901
17 HB2 SER 4 2HB SER 4 -7.959 -0.550 3.362
18 HB3 SER 4 1HB SER 4 -7.728 -1.080 1.695
19 HG SER 4 HG SER 4 -7.234 -2.985 3.671
20 H ASP 5 H ASP 5 -4.398 -2.062 1.090
21 HA ASP 5 HA ASP 5 -4.534 -4.850 1.985
22 HB2 ASP 5 2HB ASP 5 -4.419 -3.619 -0.546
23 HB3 ASP 5 1HB ASP 5 -2.885 -4.452 -0.344
24 HA PRO 6 HA PRO 6 -0.631 -4.430 4.116
25 HB2 PRO 6 2HB PRO 6 -0.095 -7.173 4.173
26 HB3 PRO 6 1HB PRO 6 -1.059 -6.295 5.375
27 HG2 PRO 6 2HG PRO 6 -1.950 -7.945 3.071
28 HG3 PRO 6 1HG PRO 6 -2.668 -7.770 4.681
29 HD2 PRO 6 2HD PRO 6 -3.721 -6.554 2.505
30 HD3 PRO 6 1HD PRO 6 -3.781 -5.802 4.117
31 H ARG 7 H ARG 7 -1.183 -5.970 1.071
32 HA ARG 7 HA ARG 7 1.687 -6.109 0.469
33 HB2 ARG 7 2HB ARG 7 -0.712 -7.479 -0.493
34 HB3 ARG 7 1HB ARG 7 0.333 -6.931 -1.803
35 HG2 ARG 7 2HG ARG 7 1.760 -8.162 0.479
36 HG3 ARG 7 1HG ARG 7 0.709 -9.260 -0.413
37 HD2 ARG 7 2HD ARG 7 3.112 -9.063 -1.263
38 HD3 ARG 7 1HD ARG 7 1.832 -8.858 -2.456
39 HE ARG 7 HE ARG 7 2.381 -6.300 -1.548
40 HH11 ARG 7 1HH2 ARG 7 4.092 -8.878 -3.050
41 HH12 ARG 7 2HH2 ARG 7 5.247 -7.840 -3.807
42 HH21 ARG 7 1HH1 ARG 7 3.885 -4.964 -2.511
43 HH22 ARG 7 2HH1 ARG 7 5.139 -5.655 -3.485
44 H CYS 8 H CYS 8 -0.862 -3.951 0.168
45 HA CYS 8 HA CYS 8 0.424 -2.611 -2.143
46 HB2 CYS 8 2HB CYS 8 -2.167 -3.260 -2.010
47 HB3 CYS 8 1HB CYS 8 -2.247 -1.728 -1.141
48 H ASN 9 H ASN 9 -0.620 -2.275 1.183
49 HA ASN 9 HA ASN 9 -0.324 0.482 1.556
50 HB2 ASN 9 2HB ASN 9 -1.325 -0.767 3.305
51 HB3 ASN 9 1HB ASN 9 0.036 -1.881 3.397
52 HD21 ASN 9 1HD2 ASN 9 1.962 -1.151 4.524
53 HD22 ASN 9 2HD2 ASN 9 1.950 0.243 5.486
54 H TYR 10 H TYR 10 2.064 -1.990 1.224
55 HA TYR 10 HA TYR 10 4.224 -0.243 2.129
56 HB2 TYR 10 2HB TYR 10 4.202 -3.115 1.168
57 HB3 TYR 10 1HB TYR 10 5.635 -2.257 1.736
58 HD1 TYR 10 2HD TYR 10 2.136 -3.089 2.782
59 HD2 TYR 10 1HD TYR 10 6.173 -2.317 4.028
60 HE1 TYR 10 2HE TYR 10 1.516 -3.625 5.124
61 HE2 TYR 10 1HE TYR 10 5.547 -2.855 6.369
62 HH TYR 10 HH TYR 10 3.268 -2.770 7.725
63 H ASP 11 H ASP 11 2.776 -1.484 -0.777
64 HA ASP 11 HA ASP 11 4.963 -0.810 -2.511
65 HB2 ASP 11 2HB ASP 11 2.097 -1.623 -2.919
66 HB3 ASP 11 1HB ASP 11 3.124 -1.159 -4.264
67 H HIS 12 H HIS 12 2.494 0.983 -0.983
68 HA HIS 12 HA HIS 12 3.075 3.292 -2.745
69 HB2 HIS 12 2HB HIS 12 0.414 2.209 -1.914
70 HB3 HIS 12 1HB HIS 12 0.602 3.943 -2.145
71 HD2 HIS 12 2HD HIS 12 0.700 0.663 -4.284
72 HE1 HIS 12 1HE HIS 12 0.882 3.955 -6.922
73 HE2 HIS 12 2HE HIS 12 0.631 1.427 -6.783
74 HA PRO 13 HA PRO 13 3.901 4.058 1.872
75 HB2 PRO 13 2HB PRO 13 6.203 5.427 0.557
76 HB3 PRO 13 1HB PRO 13 6.175 4.416 2.014
77 HG2 PRO 13 2HG PRO 13 7.139 3.515 -0.296
78 HG3 PRO 13 1HG PRO 13 6.254 2.459 0.818
79 HD2 PRO 13 2HD PRO 13 5.355 3.635 -1.774
80 HD3 PRO 13 1HD PRO 13 4.903 2.096 -1.013
81 H GLU 14 H GLU 14 4.458 6.256 -0.905
82 HA GLU 14 HA GLU 14 4.036 8.677 0.450
83 HB2 GLU 14 2HB GLU 14 4.879 8.174 -1.990
84 HB3 GLU 14 1HB GLU 14 3.175 8.351 -2.401
85 HG2 GLU 14 2HG GLU 14 3.899 10.550 -2.602
86 HG3 GLU 14 1HG GLU 14 3.352 10.536 -0.931
87 H ILE 15 H ILE 15 1.747 6.329 -0.735
88 HA ILE 15 HA ILE 15 -0.508 8.167 -0.458
89 HB ILE 15 HB ILE 15 -0.569 5.204 -1.060
90 HG12 ILE 15 2HG1 ILE 15 -0.123 7.608 -2.843
91 HG13 ILE 15 1HG1 ILE 15 0.807 6.112 -2.771
92 HG21 ILE 15 1HG2 ILE 15 -2.506 7.374 -1.878
93 HG22 ILE 15 2HG2 ILE 15 -2.681 6.494 -0.358
94 HG23 ILE 15 3HG2 ILE 15 -2.756 5.629 -1.895
95 HD11 ILE 15 3HD1 ILE 15 -0.488 5.802 -4.700
96 HD12 ILE 15 1HD1 ILE 15 -1.898 6.595 -3.996
97 HD13 ILE 15 2HD1 ILE 15 -1.443 4.975 -3.469
98 H ABA 16 H ABA 16 0.429 5.012 0.941
99 HA ABA 16 HA ABA 16 -1.509 5.309 3.081
100 HB3 ABA 16 1HB ABA 16 0.056 3.180 3.795
101 HB2 ABA 16 2HB ABA 16 0.256 3.195 2.043
102 HG1 ABA 16 HG ABA 16 -2.102 2.275 3.470
103 HN1 NH2 17 2H ABA 16 2.200 6.363 4.365
104 HN2 NH2 17 1H ABA 16 1.963 5.908 2.748
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -6.982 3.646 -0.174
2 H2 GLY 1 2HT GLY 1 -8.538 3.955 -0.777
3 H3 GLY 1 3HT GLY 1 -7.260 5.016 -1.129
4 HA2 GLY 1 2HA GLY 1 -8.079 3.181 -2.840
5 HA3 GLY 1 1HA GLY 1 -6.398 3.709 -2.748
6 H CYS 2 H CYS 2 -5.949 1.527 -3.624
7 HA CYS 2 HA CYS 2 -6.509 -0.910 -2.427
8 HB2 CYS 2 2HB CYS 2 -5.372 -0.908 -4.521
9 HB3 CYS 2 1HB CYS 2 -4.034 0.036 -3.870
10 H ABA 3 H ABA 3 -4.715 1.660 -1.116
11 HA ABA 3 HA ABA 3 -2.730 0.624 0.449
12 HB3 ABA 3 1HB ABA 3 -4.768 2.485 1.652
13 HB2 ABA 3 2HB ABA 3 -3.726 3.022 0.337
14 HG1 ABA 3 HG ABA 3 -2.902 2.418 3.162
15 H SER 4 H SER 4 -6.113 -0.037 0.661
16 HA SER 4 HA SER 4 -6.415 -0.879 3.312
17 HB2 SER 4 2HB SER 4 -8.353 -2.079 2.541
18 HB3 SER 4 1HB SER 4 -8.236 -0.586 1.609
19 HG SER 4 HG SER 4 -8.160 -3.147 0.754
20 H ASP 5 H ASP 5 -4.725 -2.393 0.672
21 HA ASP 5 HA ASP 5 -4.712 -5.021 1.920
22 HB2 ASP 5 2HB ASP 5 -4.510 -4.301 -0.663
23 HB3 ASP 5 1HB ASP 5 -2.803 -4.385 -0.263
24 HA PRO 6 HA PRO 6 -1.226 -4.233 4.523
25 HB2 PRO 6 2HB PRO 6 -0.293 -6.850 4.691
26 HB3 PRO 6 1HB PRO 6 -1.595 -6.172 5.687
27 HG2 PRO 6 2HG PRO 6 -1.760 -7.877 3.257
28 HG3 PRO 6 1HG PRO 6 -2.777 -7.872 4.707
29 HD2 PRO 6 2HD PRO 6 -3.595 -6.763 2.366
30 HD3 PRO 6 1HD PRO 6 -4.091 -6.112 3.945
31 H ARG 7 H ARG 7 -1.029 -5.751 1.437
32 HA ARG 7 HA ARG 7 1.885 -5.497 1.309
33 HB2 ARG 7 2HB ARG 7 0.042 -7.261 0.142
34 HB3 ARG 7 1HB ARG 7 0.607 -6.240 -1.178
35 HG2 ARG 7 2HG ARG 7 2.122 -8.108 -1.027
36 HG3 ARG 7 1HG ARG 7 2.974 -6.693 -0.408
37 HD2 ARG 7 2HD ARG 7 1.418 -8.352 1.533
38 HD3 ARG 7 1HD ARG 7 2.946 -8.998 0.941
39 HE ARG 7 HE ARG 7 2.591 -6.630 2.624
40 HH11 ARG 7 1HH2 ARG 7 4.660 -8.531 0.648
41 HH12 ARG 7 2HH2 ARG 7 6.114 -7.904 1.339
42 HH21 ARG 7 1HH1 ARG 7 4.489 -5.827 3.520
43 HH22 ARG 7 2HH1 ARG 7 6.017 -6.397 2.946
44 H CYS 8 H CYS 8 -1.001 -3.872 0.320
45 HA CYS 8 HA CYS 8 0.208 -2.307 -1.764
46 HB2 CYS 8 2HB CYS 8 -2.406 -2.607 -0.698
47 HB3 CYS 8 1HB CYS 8 -1.990 -0.899 -0.601
48 H ASN 9 H ASN 9 -0.148 -1.949 1.705
49 HA ASN 9 HA ASN 9 0.467 0.762 2.003
50 HB2 ASN 9 2HB ASN 9 -0.178 -1.108 3.750
51 HB3 ASN 9 1HB ASN 9 1.568 -1.246 3.931
52 HD21 ASN 9 1HD2 ASN 9 -0.431 -0.167 5.883
53 HD22 ASN 9 2HD2 ASN 9 0.077 1.418 6.212
54 H TYR 10 H TYR 10 2.435 -1.840 1.009
55 HA TYR 10 HA TYR 10 4.933 -0.361 1.456
56 HB2 TYR 10 2HB TYR 10 4.412 -3.192 0.510
57 HB3 TYR 10 1HB TYR 10 6.010 -2.487 0.761
58 HD1 TYR 10 2HD TYR 10 2.841 -3.437 2.449
59 HD2 TYR 10 1HD TYR 10 6.940 -2.266 2.962
60 HE1 TYR 10 2HE TYR 10 2.704 -4.002 4.862
61 HE2 TYR 10 1HE TYR 10 6.797 -2.834 5.374
62 HH TYR 10 HH TYR 10 5.127 -4.604 6.740
63 H ASP 11 H ASP 11 2.714 -1.387 -1.015
64 HA ASP 11 HA ASP 11 4.428 -1.004 -3.262
65 HB2 ASP 11 2HB ASP 11 1.485 -1.318 -2.817
66 HB3 ASP 11 1HB ASP 11 2.051 -0.754 -4.378
67 H HIS 12 H HIS 12 2.351 1.098 -1.363
68 HA HIS 12 HA HIS 12 3.399 3.403 -2.873
69 HB2 HIS 12 2HB HIS 12 0.478 2.928 -2.259
70 HB3 HIS 12 1HB HIS 12 1.146 4.434 -2.876
71 HD2 HIS 12 2HD HIS 12 0.531 0.775 -4.103
72 HE1 HIS 12 1HE HIS 12 1.649 3.095 -7.447
73 HE2 HIS 12 2HE HIS 12 0.820 0.804 -6.696
74 HA PRO 13 HA PRO 13 3.875 3.717 1.807
75 HB2 PRO 13 2HB PRO 13 6.099 5.386 0.707
76 HB3 PRO 13 1HB PRO 13 6.107 4.245 2.062
77 HG2 PRO 13 2HG PRO 13 7.168 3.628 -0.313
78 HG3 PRO 13 1HG PRO 13 6.378 2.423 0.715
79 HD2 PRO 13 2HD PRO 13 5.423 3.626 -1.824
80 HD3 PRO 13 1HD PRO 13 5.001 2.070 -1.083
81 H GLU 14 H GLU 14 4.368 6.287 -0.629
82 HA GLU 14 HA GLU 14 3.711 8.488 0.973
83 HB2 GLU 14 2HB GLU 14 3.659 7.958 -1.980
84 HB3 GLU 14 1HB GLU 14 2.995 9.468 -1.355
85 HG2 GLU 14 2HG GLU 14 5.504 9.445 -2.007
86 HG3 GLU 14 1HG GLU 14 5.073 10.148 -0.452
87 H ILE 15 H ILE 15 1.633 6.313 -0.872
88 HA ILE 15 HA ILE 15 -0.774 7.835 -0.407
89 HB ILE 15 HB ILE 15 -0.406 4.962 -1.296
90 HG12 ILE 15 2HG1 ILE 15 -0.664 7.588 -2.778
91 HG13 ILE 15 1HG1 ILE 15 0.660 6.432 -2.872
92 HG21 ILE 15 1HG2 ILE 15 -2.669 5.474 -0.396
93 HG22 ILE 15 2HG2 ILE 15 -2.705 5.181 -2.134
94 HG23 ILE 15 3HG2 ILE 15 -2.789 6.830 -1.517
95 HD11 ILE 15 3HD1 ILE 15 -1.164 4.755 -3.671
96 HD12 ILE 15 1HD1 ILE 15 -0.577 5.964 -4.811
97 HD13 ILE 15 2HD1 ILE 15 -2.121 6.200 -3.995
98 H ABA 16 H ABA 16 0.783 5.016 0.995
99 HA ABA 16 HA ABA 16 -1.173 5.077 3.224
100 HB3 ABA 16 1HB ABA 16 -0.671 2.694 3.549
101 HB2 ABA 16 2HB ABA 16 0.473 2.749 2.207
102 HG1 ABA 16 HG ABA 16 -1.370 3.098 0.606
103 HN1 NH2 17 2H ABA 16 2.644 4.317 4.450
104 HN2 NH2 17 1H ABA 16 1.968 3.391 3.202
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -9.076 3.868 0.341
2 H2 GLY 1 2HT GLY 1 -7.473 4.177 0.809
3 H3 GLY 1 3HT GLY 1 -8.078 2.589 0.828
4 HA2 GLY 1 2HA GLY 1 -8.516 3.128 -1.710
5 HA3 GLY 1 1HA GLY 1 -7.148 4.202 -1.423
6 H CYS 2 H CYS 2 -5.682 2.987 -2.651
7 HA CYS 2 HA CYS 2 -5.229 0.302 -2.798
8 HB2 CYS 2 2HB CYS 2 -3.882 2.107 -3.930
9 HB3 CYS 2 1HB CYS 2 -2.981 2.278 -2.421
10 H ABA 3 H ABA 3 -4.421 2.380 -0.070
11 HA ABA 3 HA ABA 3 -2.713 0.731 1.373
12 HB3 ABA 3 1HB ABA 3 -3.991 1.844 3.401
13 HB2 ABA 3 2HB ABA 3 -4.708 2.821 2.120
14 HG1 ABA 3 HG ABA 3 -2.530 3.750 1.539
15 H SER 4 H SER 4 -5.960 0.121 0.540
16 HA SER 4 HA SER 4 -6.857 -1.388 2.745
17 HB2 SER 4 2HB SER 4 -7.473 -1.630 -0.207
18 HB3 SER 4 1HB SER 4 -8.312 -2.546 1.044
19 HG SER 4 HG SER 4 -8.054 0.184 1.490
20 H ASP 5 H ASP 5 -4.598 -2.119 0.185
21 HA ASP 5 HA ASP 5 -4.531 -4.967 0.822
22 HB2 ASP 5 2HB ASP 5 -4.211 -4.063 -1.520
23 HB3 ASP 5 1HB ASP 5 -2.669 -3.435 -0.987
24 HA PRO 6 HA PRO 6 -1.631 -4.218 4.152
25 HB2 PRO 6 2HB PRO 6 -1.047 -7.105 3.703
26 HB3 PRO 6 1HB PRO 6 -1.482 -6.266 5.204
27 HG2 PRO 6 2HG PRO 6 -3.217 -7.823 3.891
28 HG3 PRO 6 1HG PRO 6 -3.725 -6.375 4.774
29 HD2 PRO 6 2HD PRO 6 -3.509 -6.800 1.832
30 HD3 PRO 6 1HD PRO 6 -4.597 -5.732 2.745
31 H ARG 7 H ARG 7 -0.959 -5.578 1.021
32 HA ARG 7 HA ARG 7 1.934 -5.309 1.405
33 HB2 ARG 7 2HB ARG 7 0.201 -6.729 -0.489
34 HB3 ARG 7 1HB ARG 7 1.593 -5.952 -1.239
35 HG2 ARG 7 2HG ARG 7 3.132 -7.124 0.158
36 HG3 ARG 7 1HG ARG 7 1.847 -7.664 1.241
37 HD2 ARG 7 2HD ARG 7 2.191 -8.497 -1.655
38 HD3 ARG 7 1HD ARG 7 2.551 -9.492 -0.243
39 HE ARG 7 HE ARG 7 -0.151 -8.527 -0.206
40 HH11 ARG 7 1HH2 ARG 7 1.961 -10.888 -1.540
41 HH12 ARG 7 2HH2 ARG 7 0.693 -12.015 -1.876
42 HH21 ARG 7 1HH1 ARG 7 -1.778 -9.993 -0.639
43 HH22 ARG 7 2HH1 ARG 7 -1.398 -11.519 -1.359
44 H CYS 8 H CYS 8 -0.765 -3.609 0.031
45 HA CYS 8 HA CYS 8 0.715 -1.986 -1.798
46 HB2 CYS 8 2HB CYS 8 -1.743 -2.076 -1.894
47 HB3 CYS 8 1HB CYS 8 -1.835 -1.254 -0.333
48 H ASN 9 H ASN 9 -0.093 -1.586 1.633
49 HA ASN 9 HA ASN 9 0.831 1.006 2.046
50 HB2 ASN 9 2HB ASN 9 -0.282 -0.508 3.744
51 HB3 ASN 9 1HB ASN 9 1.274 -1.301 3.953
52 HD21 ASN 9 1HD2 ASN 9 3.113 0.171 4.702
53 HD22 ASN 9 2HD2 ASN 9 2.711 1.498 5.680
54 H TYR 10 H TYR 10 2.593 -1.873 1.379
55 HA TYR 10 HA TYR 10 5.165 -0.592 2.001
56 HB2 TYR 10 2HB TYR 10 4.461 -3.450 1.299
57 HB3 TYR 10 1HB TYR 10 6.084 -2.873 1.680
58 HD1 TYR 10 2HD TYR 10 2.622 -3.131 3.034
59 HD2 TYR 10 1HD TYR 10 6.788 -2.638 3.936
60 HE1 TYR 10 2HE TYR 10 2.121 -3.347 5.449
61 HE2 TYR 10 1HE TYR 10 6.289 -2.856 6.358
62 HH TYR 10 HH TYR 10 3.813 -2.339 7.770
63 H ASP 11 H ASP 11 3.130 -1.570 -0.618
64 HA ASP 11 HA ASP 11 5.256 -1.394 -2.607
65 HB2 ASP 11 2HB ASP 11 2.996 -2.883 -2.513
66 HB3 ASP 11 1HB ASP 11 2.420 -1.519 -3.467
67 H HIS 12 H HIS 12 2.527 0.509 -1.442
68 HA HIS 12 HA HIS 12 3.529 2.790 -3.043
69 HB2 HIS 12 2HB HIS 12 0.713 1.742 -2.891
70 HB3 HIS 12 1HB HIS 12 1.020 3.444 -3.205
71 HD2 HIS 12 2HD HIS 12 1.698 -0.018 -4.942
72 HE1 HIS 12 1HE HIS 12 2.428 3.055 -7.742
73 HE2 HIS 12 2HE HIS 12 2.274 0.536 -7.433
74 HA PRO 13 HA PRO 13 3.036 3.438 1.694
75 HB2 PRO 13 2HB PRO 13 5.547 4.894 0.944
76 HB3 PRO 13 1HB PRO 13 5.173 3.977 2.416
77 HG2 PRO 13 2HG PRO 13 6.708 2.952 0.491
78 HG3 PRO 13 1HG PRO 13 5.581 1.948 1.420
79 HD2 PRO 13 2HD PRO 13 5.391 2.852 -1.408
80 HD3 PRO 13 1HD PRO 13 4.684 1.423 -0.622
81 H GLU 14 H GLU 14 4.122 5.685 -0.863
82 HA GLU 14 HA GLU 14 3.442 8.116 0.214
83 HB2 GLU 14 2HB GLU 14 4.345 7.373 -2.190
84 HB3 GLU 14 1HB GLU 14 2.662 7.660 -2.629
85 HG2 GLU 14 2HG GLU 14 4.040 9.703 -2.911
86 HG3 GLU 14 1HG GLU 14 2.784 9.934 -1.696
87 H ILE 15 H ILE 15 1.280 5.671 -1.027
88 HA ILE 15 HA ILE 15 -1.069 7.373 -1.033
89 HB ILE 15 HB ILE 15 -0.799 4.367 -1.252
90 HG12 ILE 15 2HG1 ILE 15 -0.861 6.593 -3.300
91 HG13 ILE 15 1HG1 ILE 15 0.429 5.424 -3.038
92 HG21 ILE 15 1HG2 ILE 15 -3.069 5.107 -0.635
93 HG22 ILE 15 2HG2 ILE 15 -3.037 4.523 -2.299
94 HG23 ILE 15 3HG2 ILE 15 -3.065 6.256 -1.973
95 HD11 ILE 15 3HD1 ILE 15 -2.317 4.944 -4.190
96 HD12 ILE 15 1HD1 ILE 15 -1.326 3.625 -3.566
97 HD13 ILE 15 2HD1 ILE 15 -0.750 4.596 -4.920
98 H ABA 16 H ABA 16 0.430 5.059 1.098
99 HA ABA 16 HA ABA 16 -1.831 5.193 2.981
100 HB3 ABA 16 1HB ABA 16 0.119 3.511 4.052
101 HB2 ABA 16 2HB ABA 16 0.200 3.224 2.317
102 HG1 ABA 16 HG ABA 16 -1.736 2.016 3.930
103 HN1 NH2 17 2H ABA 16 1.528 7.063 4.249
104 HN2 NH2 17 1H ABA 16 1.463 6.378 2.696
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -6.943 3.991 -3.621
2 H2 GLY 1 2HT GLY 1 -8.633 3.965 -3.458
3 H3 GLY 1 3HT GLY 1 -7.775 2.518 -3.689
4 HA2 GLY 1 2HA GLY 1 -6.912 4.045 -1.397
5 HA3 GLY 1 1HA GLY 1 -8.566 3.448 -1.296
6 H CYS 2 H CYS 2 -5.657 2.071 -2.820
7 HA CYS 2 HA CYS 2 -6.230 -0.587 -1.989
8 HB2 CYS 2 2HB CYS 2 -4.066 -1.156 -2.870
9 HB3 CYS 2 1HB CYS 2 -4.800 0.032 -3.942
10 H ABA 3 H ABA 3 -5.129 1.988 -0.164
11 HA ABA 3 HA ABA 3 -3.090 1.117 1.444
12 HB3 ABA 3 1HB ABA 3 -5.337 2.272 2.968
13 HB2 ABA 3 2HB ABA 3 -4.861 3.207 1.553
14 HG1 ABA 3 HG ABA 3 -3.282 2.803 4.059
15 H SER 4 H SER 4 -6.395 -0.051 1.409
16 HA SER 4 HA SER 4 -6.480 -1.382 3.874
17 HB2 SER 4 2HB SER 4 -8.452 -1.084 2.432
18 HB3 SER 4 1HB SER 4 -7.765 -2.209 1.262
19 HG SER 4 HG SER 4 -8.722 -3.676 2.430
20 H ASP 5 H ASP 5 -4.754 -2.211 0.953
21 HA ASP 5 HA ASP 5 -4.274 -4.943 1.925
22 HB2 ASP 5 2HB ASP 5 -4.625 -4.026 -0.610
23 HB3 ASP 5 1HB ASP 5 -2.876 -4.050 -0.510
24 HA PRO 6 HA PRO 6 -0.543 -3.494 3.932
25 HB2 PRO 6 2HB PRO 6 0.033 -6.419 3.943
26 HB3 PRO 6 1HB PRO 6 0.035 -5.265 5.290
27 HG2 PRO 6 2HG PRO 6 -1.927 -7.058 4.959
28 HG3 PRO 6 1HG PRO 6 -2.218 -5.445 5.630
29 HD2 PRO 6 2HD PRO 6 -2.892 -6.505 2.921
30 HD3 PRO 6 1HD PRO 6 -3.724 -5.270 3.893
31 H ARG 7 H ARG 7 -0.895 -5.592 1.182
32 HA ARG 7 HA ARG 7 1.856 -5.623 0.390
33 HB2 ARG 7 2HB ARG 7 -0.740 -6.334 -0.914
34 HB3 ARG 7 1HB ARG 7 0.692 -6.136 -1.921
35 HG2 ARG 7 2HG ARG 7 1.802 -7.932 -0.959
36 HG3 ARG 7 1HG ARG 7 0.925 -7.793 0.564
37 HD2 ARG 7 2HD ARG 7 -0.207 -8.812 -2.060
38 HD3 ARG 7 1HD ARG 7 0.192 -9.787 -0.646
39 HE ARG 7 HE ARG 7 -1.725 -7.622 -0.192
40 HH11 ARG 7 1HH2 ARG 7 -1.191 -10.952 -0.887
41 HH12 ARG 7 2HH2 ARG 7 -2.749 -11.439 -0.321
42 HH21 ARG 7 1HH1 ARG 7 -3.702 -8.238 0.497
43 HH22 ARG 7 2HH1 ARG 7 -4.169 -9.904 0.456
44 H CYS 8 H CYS 8 -0.921 -3.574 -0.243
45 HA CYS 8 HA CYS 8 0.499 -1.958 -2.190
46 HB2 CYS 8 2HB CYS 8 -2.096 -2.261 -1.924
47 HB3 CYS 8 1HB CYS 8 -1.929 -0.958 -0.744
48 H ASN 9 H ASN 9 -0.266 -1.798 1.248
49 HA ASN 9 HA ASN 9 0.663 0.815 1.757
50 HB2 ASN 9 2HB ASN 9 -0.076 -1.532 3.305
51 HB3 ASN 9 1HB ASN 9 1.317 -0.720 4.013
52 HD21 ASN 9 1HD2 ASN 9 -2.007 -0.721 4.110
53 HD22 ASN 9 2HD2 ASN 9 -2.259 0.884 4.595
54 H TYR 10 H TYR 10 2.304 -2.082 0.979
55 HA TYR 10 HA TYR 10 4.916 -1.077 1.873
56 HB2 TYR 10 2HB TYR 10 5.011 -3.298 2.368
57 HB3 TYR 10 1HB TYR 10 3.757 -3.715 1.207
58 HD1 TYR 10 2HD TYR 10 4.310 -4.144 -1.155
59 HD2 TYR 10 1HD TYR 10 7.363 -3.236 1.726
60 HE1 TYR 10 2HE TYR 10 6.044 -4.951 -2.734
61 HE2 TYR 10 1HE TYR 10 9.094 -4.046 0.140
62 HH TYR 10 HH TYR 10 9.311 -4.313 -2.354
63 H ASP 11 H ASP 11 3.027 -1.694 -1.001
64 HA ASP 11 HA ASP 11 5.244 -1.193 -2.815
65 HB2 ASP 11 2HB ASP 11 3.034 -2.708 -3.058
66 HB3 ASP 11 1HB ASP 11 2.440 -1.227 -3.801
67 H HIS 12 H HIS 12 2.482 0.563 -1.501
68 HA HIS 12 HA HIS 12 3.493 3.001 -2.857
69 HB2 HIS 12 2HB HIS 12 0.675 1.960 -2.704
70 HB3 HIS 12 1HB HIS 12 0.989 3.680 -2.870
71 HD2 HIS 12 2HD HIS 12 2.041 0.423 -4.869
72 HE1 HIS 12 1HE HIS 12 1.879 3.696 -7.525
73 HE2 HIS 12 2HE HIS 12 2.254 1.185 -7.360
74 HA PRO 13 HA PRO 13 3.023 3.213 1.936
75 HB2 PRO 13 2HB PRO 13 5.675 4.509 1.429
76 HB3 PRO 13 1HB PRO 13 5.175 3.441 2.754
77 HG2 PRO 13 2HG PRO 13 6.701 2.578 0.736
78 HG3 PRO 13 1HG PRO 13 5.503 1.539 1.527
79 HD2 PRO 13 2HD PRO 13 5.423 2.779 -1.173
80 HD3 PRO 13 1HD PRO 13 4.618 1.313 -0.576
81 H GLU 14 H GLU 14 4.494 5.571 -0.301
82 HA GLU 14 HA GLU 14 3.959 7.950 0.969
83 HB2 GLU 14 2HB GLU 14 3.831 7.302 -1.985
84 HB3 GLU 14 1HB GLU 14 3.825 8.939 -1.329
85 HG2 GLU 14 2HG GLU 14 6.028 8.843 -0.673
86 HG3 GLU 14 1HG GLU 14 5.980 7.109 -0.378
87 H ILE 15 H ILE 15 1.710 5.996 -0.919
88 HA ILE 15 HA ILE 15 -0.399 7.900 -1.044
89 HB ILE 15 HB ILE 15 -0.498 4.878 -1.215
90 HG12 ILE 15 2HG1 ILE 15 -0.035 7.082 -3.229
91 HG13 ILE 15 1HG1 ILE 15 1.001 5.700 -2.887
92 HG21 ILE 15 1HG2 ILE 15 -2.427 6.937 -2.322
93 HG22 ILE 15 2HG2 ILE 15 -2.700 6.065 -0.813
94 HG23 ILE 15 3HG2 ILE 15 -2.610 5.185 -2.338
95 HD11 ILE 15 3HD1 ILE 15 -1.089 4.290 -3.591
96 HD12 ILE 15 1HD1 ILE 15 -0.086 5.021 -4.843
97 HD13 ILE 15 2HD1 ILE 15 -1.605 5.781 -4.375
98 H ABA 16 H ABA 16 0.245 5.210 1.167
99 HA ABA 16 HA ABA 16 -2.078 5.977 2.796
100 HB3 ABA 16 1HB ABA 16 -1.295 3.865 4.095
101 HB2 ABA 16 2HB ABA 16 -0.297 3.564 2.672
102 HG1 ABA 16 HG ABA 16 -2.401 3.604 1.244
103 HN1 NH2 17 2H ABA 16 1.506 6.741 4.551
104 HN2 NH2 17 1H ABA 16 1.457 6.035 3.008
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -8.349 4.267 -0.736
2 H2 GLY 1 2HT GLY 1 -6.828 3.569 -0.460
3 H3 GLY 1 3HT GLY 1 -8.075 3.379 0.678
4 HA2 GLY 1 2HA GLY 1 -9.154 1.791 -0.510
5 HA3 GLY 1 1HA GLY 1 -8.577 2.436 -2.045
6 H CYS 2 H CYS 2 -6.404 1.981 -2.709
7 HA CYS 2 HA CYS 2 -5.480 -0.582 -2.549
8 HB2 CYS 2 2HB CYS 2 -4.568 1.558 -3.826
9 HB3 CYS 2 1HB CYS 2 -3.405 1.570 -2.502
10 H ABA 3 H ABA 3 -4.826 2.013 -0.254
11 HA ABA 3 HA ABA 3 -2.842 0.924 1.337
12 HB3 ABA 3 1HB ABA 3 -4.885 2.123 2.995
13 HB2 ABA 3 2HB ABA 3 -4.690 3.054 1.512
14 HG1 ABA 3 HG ABA 3 -2.860 3.067 3.760
15 H SER 4 H SER 4 -6.209 0.008 1.116
16 HA SER 4 HA SER 4 -6.518 -1.387 3.530
17 HB2 SER 4 2HB SER 4 -7.745 -2.038 0.845
18 HB3 SER 4 1HB SER 4 -8.335 -2.578 2.416
19 HG SER 4 HG SER 4 -9.245 -0.558 1.364
20 H ASP 5 H ASP 5 -4.709 -2.224 0.688
21 HA ASP 5 HA ASP 5 -4.490 -5.026 1.548
22 HB2 ASP 5 2HB ASP 5 -4.398 -3.686 -0.985
23 HB3 ASP 5 1HB ASP 5 -2.891 -4.553 -0.737
24 HA PRO 6 HA PRO 6 -0.797 -3.816 3.843
25 HB2 PRO 6 2HB PRO 6 -0.469 -6.785 3.796
26 HB3 PRO 6 1HB PRO 6 -0.395 -5.667 5.170
27 HG2 PRO 6 2HG PRO 6 -2.507 -7.246 4.744
28 HG3 PRO 6 1HG PRO 6 -2.670 -5.618 5.425
29 HD2 PRO 6 2HD PRO 6 -3.366 -6.592 2.695
30 HD3 PRO 6 1HD PRO 6 -4.073 -5.261 3.639
31 H ARG 7 H ARG 7 -1.067 -5.793 0.998
32 HA ARG 7 HA ARG 7 1.774 -5.921 0.473
33 HB2 ARG 7 2HB ARG 7 -0.716 -6.837 -0.878
34 HB3 ARG 7 1HB ARG 7 0.688 -6.561 -1.902
35 HG2 ARG 7 2HG ARG 7 0.558 -8.373 0.524
36 HG3 ARG 7 1HG ARG 7 0.656 -8.889 -1.157
37 HD2 ARG 7 2HD ARG 7 2.785 -7.957 0.656
38 HD3 ARG 7 1HD ARG 7 2.891 -8.997 -0.763
39 HE ARG 7 HE ARG 7 2.453 -6.511 -1.832
40 HH11 ARG 7 1HH2 ARG 7 4.717 -7.865 0.372
41 HH12 ARG 7 2HH2 ARG 7 5.949 -6.708 0.004
42 HH21 ARG 7 1HH1 ARG 7 4.037 -5.017 -2.297
43 HH22 ARG 7 2HH1 ARG 7 5.573 -5.125 -1.498
44 H CYS 8 H CYS 8 -0.864 -3.825 -0.230
45 HA CYS 8 HA CYS 8 0.653 -2.336 -2.261
46 HB2 CYS 8 2HB CYS 8 -1.728 -2.772 -2.679
47 HB3 CYS 8 1HB CYS 8 -2.148 -1.919 -1.194
48 H ASN 9 H ASN 9 -0.610 -2.024 1.003
49 HA ASN 9 HA ASN 9 -0.121 0.703 1.453
50 HB2 ASN 9 2HB ASN 9 -1.395 -0.433 3.079
51 HB3 ASN 9 1HB ASN 9 -0.204 -1.714 3.245
52 HD21 ASN 9 1HD2 ASN 9 0.261 1.852 3.365
53 HD22 ASN 9 2HD2 ASN 9 0.926 1.844 4.924
54 H TYR 10 H TYR 10 2.052 -1.967 1.231
55 HA TYR 10 HA TYR 10 4.311 -0.452 2.335
56 HB2 TYR 10 2HB TYR 10 3.929 -3.315 1.454
57 HB3 TYR 10 1HB TYR 10 5.523 -2.652 1.821
58 HD1 TYR 10 1HD TYR 10 2.093 -2.429 3.328
59 HD2 TYR 10 2HD TYR 10 6.274 -3.151 3.967
60 HE1 TYR 10 1HE TYR 10 1.665 -2.758 5.749
61 HE2 TYR 10 2HE TYR 10 5.845 -3.479 6.388
62 HH TYR 10 HH TYR 10 2.550 -3.520 7.678
63 H ASP 11 H ASP 11 2.910 -1.463 -0.648
64 HA ASP 11 HA ASP 11 5.263 -1.048 -2.271
65 HB2 ASP 11 2HB ASP 11 2.525 -1.984 -2.644
66 HB3 ASP 11 1HB ASP 11 3.054 -0.936 -3.955
67 H HIS 12 H HIS 12 2.495 0.853 -1.237
68 HA HIS 12 HA HIS 12 3.698 3.186 -2.624
69 HB2 HIS 12 2HB HIS 12 0.847 2.267 -2.575
70 HB3 HIS 12 1HB HIS 12 1.204 3.985 -2.709
71 HD2 HIS 12 2HD HIS 12 1.679 0.712 -4.807
72 HE1 HIS 12 1HE HIS 12 2.839 3.984 -7.209
73 HE2 HIS 12 2HE HIS 12 2.432 1.475 -7.193
74 HA PRO 13 HA PRO 13 3.158 3.790 2.071
75 HB2 PRO 13 2HB PRO 13 5.928 4.815 1.667
76 HB3 PRO 13 1HB PRO 13 5.282 3.786 2.960
77 HG2 PRO 13 2HG PRO 13 6.844 2.808 1.026
78 HG3 PRO 13 1HG PRO 13 5.527 1.864 1.740
79 HD2 PRO 13 2HD PRO 13 5.658 3.189 -0.934
80 HD3 PRO 13 1HD PRO 13 4.811 1.709 -0.440
81 H GLU 14 H GLU 14 4.648 5.716 -0.497
82 HA GLU 14 HA GLU 14 4.340 8.274 0.645
83 HB2 GLU 14 2HB GLU 14 5.570 7.411 -1.550
84 HB3 GLU 14 1HB GLU 14 4.058 7.914 -2.307
85 HG2 GLU 14 2HG GLU 14 4.357 10.156 -1.738
86 HG3 GLU 14 1HG GLU 14 5.396 9.778 -0.368
87 H ILE 15 H ILE 15 2.072 6.136 -0.890
88 HA ILE 15 HA ILE 15 0.056 8.234 -1.217
89 HB ILE 15 HB ILE 15 -0.169 5.260 -1.737
90 HG12 ILE 15 2HG1 ILE 15 0.735 7.572 -3.472
91 HG13 ILE 15 1HG1 ILE 15 1.600 6.073 -3.135
92 HG21 ILE 15 1HG2 ILE 15 -1.745 7.547 -2.937
93 HG22 ILE 15 2HG2 ILE 15 -2.276 6.702 -1.483
94 HG23 ILE 15 3HG2 ILE 15 -2.111 5.824 -3.004
95 HD11 ILE 15 3HD1 ILE 15 -0.903 6.426 -4.793
96 HD12 ILE 15 1HD1 ILE 15 -0.322 4.848 -4.264
97 HD13 ILE 15 2HD1 ILE 15 0.669 5.840 -5.332
98 H ABA 16 H ABA 16 0.527 5.231 0.621
99 HA ABA 16 HA ABA 16 -1.901 5.669 2.159
100 HB3 ABA 16 1HB ABA 16 -0.661 3.621 3.432
101 HB2 ABA 16 2HB ABA 16 0.082 3.499 1.834
102 HG1 ABA 16 HG ABA 16 -2.108 3.124 0.796
103 HN1 NH2 17 2H ABA 16 1.379 6.822 4.272
104 HN2 NH2 17 1H ABA 16 1.576 6.181 2.714
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -8.816 0.301 -0.781
2 H2 GLY 1 2HT GLY 1 -10.071 0.667 -1.868
3 H3 GLY 1 3HT GLY 1 -9.460 1.871 -0.841
4 HA2 GLY 1 2HA GLY 1 -8.582 1.127 -3.421
5 HA3 GLY 1 1HA GLY 1 -8.052 2.477 -2.423
6 H CYS 2 H CYS 2 -5.867 2.373 -2.579
7 HA CYS 2 HA CYS 2 -4.369 -0.060 -2.661
8 HB2 CYS 2 2HB CYS 2 -3.652 2.216 -3.549
9 HB3 CYS 2 1HB CYS 2 -3.321 2.660 -1.878
10 H ABA 3 H ABA 3 -4.544 2.453 -0.115
11 HA ABA 3 HA ABA 3 -3.103 1.098 1.842
12 HB3 ABA 3 1HB ABA 3 -5.235 2.551 3.101
13 HB2 ABA 3 2HB ABA 3 -4.667 3.459 1.702
14 HG1 ABA 3 HG ABA 3 -3.272 3.231 4.232
15 H SER 4 H SER 4 -6.003 0.115 0.499
16 HA SER 4 HA SER 4 -7.257 -1.076 2.777
17 HB2 SER 4 2HB SER 4 -7.590 -2.001 -0.071
18 HB3 SER 4 1HB SER 4 -8.767 -2.035 1.241
19 HG SER 4 HG SER 4 -8.747 0.264 1.202
20 H ASP 5 H ASP 5 -4.779 -2.079 0.501
21 HA ASP 5 HA ASP 5 -4.760 -4.787 1.669
22 HB2 ASP 5 2HB ASP 5 -4.637 -4.286 -0.895
23 HB3 ASP 5 1HB ASP 5 -2.958 -3.919 -0.568
24 HA PRO 6 HA PRO 6 -1.433 -3.478 4.310
25 HB2 PRO 6 2HB PRO 6 -0.473 -6.056 4.827
26 HB3 PRO 6 1HB PRO 6 -1.753 -5.238 5.742
27 HG2 PRO 6 2HG PRO 6 -1.968 -7.283 3.605
28 HG3 PRO 6 1HG PRO 6 -2.986 -7.022 5.029
29 HD2 PRO 6 2HD PRO 6 -3.773 -6.297 2.533
30 HD3 PRO 6 1HD PRO 6 -4.269 -5.396 3.984
31 H ARG 7 H ARG 7 -1.168 -5.537 1.528
32 HA ARG 7 HA ARG 7 1.716 -5.365 1.345
33 HB2 ARG 7 2HB ARG 7 -0.253 -7.013 0.270
34 HB3 ARG 7 1HB ARG 7 0.301 -6.067 -1.105
35 HG2 ARG 7 2HG ARG 7 2.127 -7.573 0.802
36 HG3 ARG 7 1HG ARG 7 1.621 -8.173 -0.776
37 HD2 ARG 7 2HD ARG 7 3.312 -5.735 -0.183
38 HD3 ARG 7 1HD ARG 7 3.776 -7.176 -1.090
39 HE ARG 7 HE ARG 7 1.529 -5.967 -2.331
40 HH11 ARG 7 1HH2 ARG 7 4.909 -5.526 -1.817
41 HH12 ARG 7 2HH2 ARG 7 5.101 -4.518 -3.212
42 HH21 ARG 7 1HH1 ARG 7 1.818 -4.703 -4.126
43 HH22 ARG 7 2HH1 ARG 7 3.389 -4.075 -4.499
44 H CYS 8 H CYS 8 -1.079 -3.664 0.159
45 HA CYS 8 HA CYS 8 0.080 -2.139 -1.918
46 HB2 CYS 8 2HB CYS 8 -2.384 -2.191 -0.590
47 HB3 CYS 8 1HB CYS 8 -1.755 -0.574 -0.295
48 H ASN 9 H ASN 9 0.029 -1.709 1.573
49 HA ASN 9 HA ASN 9 1.108 0.864 1.768
50 HB2 ASN 9 2HB ASN 9 0.148 -0.410 3.664
51 HB3 ASN 9 1HB ASN 9 1.554 -1.471 3.643
52 HD21 ASN 9 1HD2 ASN 9 3.020 -0.873 5.219
53 HD22 ASN 9 2HD2 ASN 9 3.337 0.721 5.706
54 H TYR 10 H TYR 10 2.595 -2.047 0.754
55 HA TYR 10 HA TYR 10 5.301 -1.036 1.258
56 HB2 TYR 10 2HB TYR 10 4.278 -3.654 0.140
57 HB3 TYR 10 1HB TYR 10 5.987 -3.257 0.325
58 HD1 TYR 10 2HD TYR 10 2.786 -3.383 2.249
59 HD2 TYR 10 1HD TYR 10 7.066 -3.663 2.387
60 HE1 TYR 10 2HE TYR 10 2.666 -4.016 4.644
61 HE2 TYR 10 1HE TYR 10 6.942 -4.297 4.784
62 HH TYR 10 HH TYR 10 5.567 -4.952 6.443
63 H ASP 11 H ASP 11 2.978 -1.458 -1.296
64 HA ASP 11 HA ASP 11 4.938 -0.810 -3.378
65 HB2 ASP 11 2HB ASP 11 2.455 -2.201 -3.301
66 HB3 ASP 11 1HB ASP 11 2.251 -0.809 -4.359
67 H HIS 12 H HIS 12 2.353 0.710 -1.551
68 HA HIS 12 HA HIS 12 2.930 3.263 -2.957
69 HB2 HIS 12 2HB HIS 12 0.280 2.252 -1.899
70 HB3 HIS 12 1HB HIS 12 0.562 3.890 -2.466
71 HD2 HIS 12 2HD HIS 12 0.688 0.254 -3.998
72 HE1 HIS 12 1HE HIS 12 0.043 3.024 -7.115
73 HE2 HIS 12 2HE HIS 12 0.247 0.550 -6.558
74 HA PRO 13 HA PRO 13 3.749 3.368 1.754
75 HB2 PRO 13 2HB PRO 13 6.185 4.752 0.760
76 HB3 PRO 13 1HB PRO 13 6.026 3.504 2.009
77 HG2 PRO 13 2HG PRO 13 7.042 2.991 -0.423
78 HG3 PRO 13 1HG PRO 13 6.121 1.793 0.501
79 HD2 PRO 13 2HD PRO 13 5.293 3.361 -1.894
80 HD3 PRO 13 1HD PRO 13 4.776 1.750 -1.353
81 H GLU 14 H GLU 14 4.675 5.836 -0.658
82 HA GLU 14 HA GLU 14 4.326 8.109 0.920
83 HB2 GLU 14 2HB GLU 14 3.986 7.735 -2.061
84 HB3 GLU 14 1HB GLU 14 4.050 9.306 -1.261
85 HG2 GLU 14 2HG GLU 14 6.293 9.118 -1.665
86 HG3 GLU 14 1HG GLU 14 6.263 8.151 -0.194
87 H ILE 15 H ILE 15 1.898 6.052 -0.440
88 HA ILE 15 HA ILE 15 -0.183 8.081 -0.360
89 HB ILE 15 HB ILE 15 -0.384 5.089 -0.786
90 HG12 ILE 15 2HG1 ILE 15 -0.115 7.454 -2.660
91 HG13 ILE 15 1HG1 ILE 15 0.913 6.025 -2.572
92 HG21 ILE 15 1HG2 ILE 15 -2.475 6.302 -0.001
93 HG22 ILE 15 2HG2 ILE 15 -2.617 5.542 -1.585
94 HG23 ILE 15 3HG2 ILE 15 -2.368 7.281 -1.463
95 HD11 ILE 15 3HD1 ILE 15 -1.984 6.104 -3.455
96 HD12 ILE 15 1HD1 ILE 15 -1.034 4.630 -3.277
97 HD13 ILE 15 2HD1 ILE 15 -0.583 5.828 -4.489
98 H ABA 16 H ABA 16 0.242 4.946 1.289
99 HA ABA 16 HA ABA 16 -1.658 5.699 3.351
100 HB3 ABA 16 1HB ABA 16 -0.958 3.423 4.291
101 HB2 ABA 16 2HB ABA 16 0.004 3.236 2.826
102 HG1 ABA 16 HG ABA 16 -2.022 3.221 1.438
103 HN1 NH2 17 2H ABA 16 2.172 5.847 4.772
104 HN2 NH2 17 1H ABA 16 1.895 5.207 3.228
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -7.048 3.708 -3.107
2 H2 GLY 1 2HT GLY 1 -6.513 3.966 -1.515
3 H3 GLY 1 3HT GLY 1 -8.001 4.599 -2.027
4 HA2 GLY 1 2HA GLY 1 -8.609 2.737 -0.787
5 HA3 GLY 1 1HA GLY 1 -8.690 2.205 -2.466
6 H CYS 2 H CYS 2 -6.483 1.392 -3.316
7 HA CYS 2 HA CYS 2 -5.786 -1.009 -2.313
8 HB2 CYS 2 2HB CYS 2 -4.910 -0.006 -4.425
9 HB3 CYS 2 1HB CYS 2 -3.755 0.915 -3.462
10 H ABA 3 H ABA 3 -4.697 2.064 -1.010
11 HA ABA 3 HA ABA 3 -2.510 1.400 0.508
12 HB3 ABA 3 1HB ABA 3 -4.536 2.947 1.994
13 HB2 ABA 3 2HB ABA 3 -4.192 3.558 0.379
14 HG1 ABA 3 HG ABA 3 -1.803 3.852 0.968
15 H SER 4 H SER 4 -5.843 0.456 1.021
16 HA SER 4 HA SER 4 -5.558 -0.479 3.701
17 HB2 SER 4 2HB SER 4 -7.778 -0.301 3.327
18 HB3 SER 4 1HB SER 4 -7.607 -0.561 1.593
19 HG SER 4 HG SER 4 -7.249 -2.646 3.493
20 H ASP 5 H ASP 5 -4.604 -1.823 0.667
21 HA ASP 5 HA ASP 5 -4.693 -4.582 1.476
22 HB2 ASP 5 2HB ASP 5 -4.401 -3.316 -0.935
23 HB3 ASP 5 1HB ASP 5 -2.761 -3.846 -0.615
24 HA PRO 6 HA PRO 6 -1.127 -4.394 4.147
25 HB2 PRO 6 2HB PRO 6 -0.610 -7.156 4.013
26 HB3 PRO 6 1HB PRO 6 -1.650 -6.349 5.199
27 HG2 PRO 6 2HG PRO 6 -2.379 -7.816 2.734
28 HG3 PRO 6 1HG PRO 6 -3.253 -7.674 4.268
29 HD2 PRO 6 2HD PRO 6 -4.018 -6.323 2.040
30 HD3 PRO 6 1HD PRO 6 -4.238 -5.650 3.675
31 H ARG 7 H ARG 7 -1.266 -5.713 0.960
32 HA ARG 7 HA ARG 7 1.634 -5.912 0.692
33 HB2 ARG 7 2HB ARG 7 -0.697 -6.882 -0.780
34 HB3 ARG 7 1HB ARG 7 0.538 -6.206 -1.843
35 HG2 ARG 7 2HG ARG 7 2.209 -7.697 -1.029
36 HG3 ARG 7 1HG ARG 7 1.227 -8.160 0.362
37 HD2 ARG 7 2HD ARG 7 0.383 -8.704 -2.493
38 HD3 ARG 7 1HD ARG 7 1.313 -9.856 -1.531
39 HE ARG 7 HE ARG 7 -1.045 -8.945 -0.153
40 HH11 ARG 7 1HH2 ARG 7 0.162 -11.136 -2.522
41 HH12 ARG 7 2HH2 ARG 7 -1.131 -12.263 -2.315
42 HH21 ARG 7 1HH1 ARG 7 -2.712 -10.397 0.084
43 HH22 ARG 7 2HH1 ARG 7 -2.757 -11.837 -0.874
44 H CYS 8 H CYS 8 -0.937 -3.690 0.096
45 HA CYS 8 HA CYS 8 0.475 -2.076 -1.842
46 HB2 CYS 8 2HB CYS 8 -2.153 -2.187 -0.969
47 HB3 CYS 8 1HB CYS 8 -1.570 -0.662 -0.313
48 H ASN 9 H ASN 9 0.062 -2.076 1.656
49 HA ASN 9 HA ASN 9 1.084 0.434 2.297
50 HB2 ASN 9 2HB ASN 9 0.098 -1.348 3.846
51 HB3 ASN 9 1HB ASN 9 1.704 -2.070 3.866
52 HD21 ASN 9 1HD2 ASN 9 -0.024 0.977 4.602
53 HD22 ASN 9 2HD2 ASN 9 1.101 1.503 5.758
54 H TYR 10 H TYR 10 2.688 -2.303 1.003
55 HA TYR 10 HA TYR 10 5.358 -1.214 1.592
56 HB2 TYR 10 2HB TYR 10 4.404 -3.863 0.483
57 HB3 TYR 10 1HB TYR 10 6.106 -3.409 0.574
58 HD1 TYR 10 1HD TYR 10 3.032 -3.557 2.724
59 HD2 TYR 10 2HD TYR 10 7.305 -3.916 2.516
60 HE1 TYR 10 1HE TYR 10 3.087 -4.255 5.106
61 HE2 TYR 10 2HE TYR 10 7.361 -4.615 4.899
62 HH TYR 10 HH TYR 10 5.867 -5.617 6.552
63 H ASP 11 H ASP 11 3.037 -1.671 -0.912
64 HA ASP 11 HA ASP 11 4.883 -1.091 -3.094
65 HB2 ASP 11 2HB ASP 11 2.245 -2.263 -2.785
66 HB3 ASP 11 1HB ASP 11 2.227 -1.022 -4.026
67 H HIS 12 H HIS 12 2.192 0.481 -1.390
68 HA HIS 12 HA HIS 12 2.929 3.031 -2.731
69 HB2 HIS 12 2HB HIS 12 0.181 2.006 -2.004
70 HB3 HIS 12 1HB HIS 12 0.509 3.669 -2.470
71 HD2 HIS 12 2HD HIS 12 0.483 0.112 -4.108
72 HE1 HIS 12 1HE HIS 12 0.914 2.969 -7.182
73 HE2 HIS 12 2HE HIS 12 0.544 0.502 -6.690
74 HA PRO 13 HA PRO 13 3.340 3.414 1.909
75 HB2 PRO 13 2HB PRO 13 5.773 4.682 1.823
76 HB3 PRO 13 1HB PRO 13 5.580 2.919 1.884
77 HG2 PRO 13 2HG PRO 13 6.131 4.681 -0.458
78 HG3 PRO 13 1HG PRO 13 6.811 3.095 -0.052
79 HD2 PRO 13 2HD PRO 13 4.841 3.398 -1.907
80 HD3 PRO 13 1HD PRO 13 4.984 1.940 -0.898
81 H GLU 14 H GLU 14 3.831 5.719 -0.729
82 HA GLU 14 HA GLU 14 3.654 8.075 0.893
83 HB2 GLU 14 2HB GLU 14 3.378 7.590 -2.071
84 HB3 GLU 14 1HB GLU 14 3.225 9.192 -1.351
85 HG2 GLU 14 2HG GLU 14 5.460 9.150 -0.527
86 HG3 GLU 14 1HG GLU 14 5.618 7.421 -0.827
87 H ILE 15 H ILE 15 1.293 6.244 -1.011
88 HA ILE 15 HA ILE 15 -0.866 8.020 -0.866
89 HB ILE 15 HB ILE 15 -0.875 4.988 -0.871
90 HG12 ILE 15 2HG1 ILE 15 -0.856 7.128 -3.007
91 HG13 ILE 15 1HG1 ILE 15 0.248 5.768 -2.826
92 HG21 ILE 15 1HG2 ILE 15 -3.074 6.947 -1.612
93 HG22 ILE 15 2HG2 ILE 15 -3.040 6.000 -0.125
94 HG23 ILE 15 3HG2 ILE 15 -3.173 5.189 -1.684
95 HD11 ILE 15 3HD1 ILE 15 -1.820 4.270 -3.167
96 HD12 ILE 15 1HD1 ILE 15 -1.212 5.129 -4.584
97 HD13 ILE 15 2HD1 ILE 15 -2.633 5.730 -3.730
98 H ABA 16 H ABA 16 -0.104 5.310 1.308
99 HA ABA 16 HA ABA 16 -2.107 6.193 3.233
100 HB3 ABA 16 1HB ABA 16 -1.041 4.195 4.537
101 HB2 ABA 16 2HB ABA 16 -0.276 3.824 2.991
102 HG1 ABA 16 HG ABA 16 -3.048 3.279 3.699
103 HN1 NH2 17 2H ABA 16 1.695 7.036 4.484
104 HN2 NH2 17 1H ABA 16 1.482 6.077 3.101
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -7.924 3.249 -3.052
2 H2 GLY 1 2HT GLY 1 -7.143 4.621 -2.431
3 H3 GLY 1 3HT GLY 1 -8.836 4.514 -2.392
4 HA2 GLY 1 2HA GLY 1 -7.427 4.017 -0.266
5 HA3 GLY 1 1HA GLY 1 -8.872 3.081 -0.634
6 H CYS 2 H CYS 2 -5.873 2.859 -2.466
7 HA CYS 2 HA CYS 2 -5.730 0.071 -2.474
8 HB2 CYS 2 2HB CYS 2 -4.442 1.687 -3.942
9 HB3 CYS 2 1HB CYS 2 -3.325 1.889 -2.593
10 H ABA 3 H ABA 3 -4.860 2.290 0.019
11 HA ABA 3 HA ABA 3 -2.907 0.869 1.427
12 HB3 ABA 3 1HB ABA 3 -4.341 2.055 3.433
13 HB2 ABA 3 2HB ABA 3 -4.839 3.009 2.035
14 HG1 ABA 3 HG ABA 3 -2.313 3.331 1.523
15 H SER 4 H SER 4 -6.221 0.072 0.944
16 HA SER 4 HA SER 4 -6.773 -1.370 3.309
17 HB2 SER 4 2HB SER 4 -8.347 -2.685 1.749
18 HB3 SER 4 1HB SER 4 -8.622 -0.951 1.910
19 HG SER 4 HG SER 4 -7.514 -2.426 -0.220
20 H ASP 5 H ASP 5 -4.623 -2.014 0.728
21 HA ASP 5 HA ASP 5 -4.441 -4.870 1.436
22 HB2 ASP 5 2HB ASP 5 -4.200 -3.435 -1.025
23 HB3 ASP 5 1HB ASP 5 -2.652 -4.188 -0.678
24 HA PRO 6 HA PRO 6 -1.055 -3.515 4.134
25 HB2 PRO 6 2HB PRO 6 -0.656 -6.474 4.167
26 HB3 PRO 6 1HB PRO 6 -0.747 -5.332 5.520
27 HG2 PRO 6 2HG PRO 6 -2.771 -6.962 4.903
28 HG3 PRO 6 1HG PRO 6 -3.034 -5.335 5.548
29 HD2 PRO 6 2HD PRO 6 -3.452 -6.349 2.779
30 HD3 PRO 6 1HD PRO 6 -4.256 -5.010 3.629
31 H ARG 7 H ARG 7 -0.981 -5.353 1.227
32 HA ARG 7 HA ARG 7 1.922 -5.391 1.068
33 HB2 ARG 7 2HB ARG 7 -0.282 -6.405 -0.717
34 HB3 ARG 7 1HB ARG 7 1.400 -6.376 -1.237
35 HG2 ARG 7 2HG ARG 7 1.135 -8.535 -0.307
36 HG3 ARG 7 1HG ARG 7 1.912 -7.611 0.980
37 HD2 ARG 7 2HD ARG 7 -0.076 -9.014 1.718
38 HD3 ARG 7 1HD ARG 7 -0.163 -7.306 2.138
39 HE ARG 7 HE ARG 7 -1.964 -7.084 0.669
40 HH11 ARG 7 1HH2 ARG 7 -0.321 -10.055 0.178
41 HH12 ARG 7 2HH2 ARG 7 -1.464 -10.641 -0.977
42 HH21 ARG 7 1HH1 ARG 7 -3.437 -7.827 -0.793
43 HH22 ARG 7 2HH1 ARG 7 -3.222 -9.379 -1.540
44 H CYS 8 H CYS 8 -0.772 -3.520 0.030
45 HA CYS 8 HA CYS 8 0.519 -2.132 -2.134
46 HB2 CYS 8 2HB CYS 8 -1.987 -2.310 -1.773
47 HB3 CYS 8 1HB CYS 8 -1.803 -1.128 -0.477
48 H ASN 9 H ASN 9 -0.115 -1.369 1.282
49 HA ASN 9 HA ASN 9 1.084 1.182 1.293
50 HB2 ASN 9 2HB ASN 9 0.724 1.161 3.555
51 HB3 ASN 9 1HB ASN 9 -0.331 -0.178 3.114
52 HD21 ASN 9 1HD2 ASN 9 3.124 0.376 3.956
53 HD22 ASN 9 2HD2 ASN 9 3.269 -1.047 4.863
54 H TYR 10 H TYR 10 2.456 -1.912 0.987
55 HA TYR 10 HA TYR 10 5.105 -1.097 1.938
56 HB2 TYR 10 2HB TYR 10 4.902 -3.306 2.525
57 HB3 TYR 10 1HB TYR 10 3.768 -3.660 1.224
58 HD1 TYR 10 1HD TYR 10 4.605 -3.984 -1.109
59 HD2 TYR 10 2HD TYR 10 7.264 -3.610 2.239
60 HE1 TYR 10 1HE TYR 10 6.455 -4.926 -2.473
61 HE2 TYR 10 2HE TYR 10 9.112 -4.554 0.876
62 HH TYR 10 HH TYR 10 9.200 -4.634 -2.274
63 H ASP 11 H ASP 11 3.302 -1.692 -0.997
64 HA ASP 11 HA ASP 11 5.624 -1.394 -2.733
65 HB2 ASP 11 2HB ASP 11 3.165 -2.656 -2.970
66 HB3 ASP 11 1HB ASP 11 2.974 -1.227 -3.979
67 H HIS 12 H HIS 12 2.787 0.459 -1.730
68 HA HIS 12 HA HIS 12 4.019 2.879 -2.916
69 HB2 HIS 12 2HB HIS 12 1.157 1.950 -3.097
70 HB3 HIS 12 1HB HIS 12 1.603 3.636 -3.321
71 HD2 HIS 12 2HD HIS 12 1.888 0.247 -5.207
72 HE1 HIS 12 1HE HIS 12 3.569 3.239 -7.669
73 HE2 HIS 12 2HE HIS 12 2.828 0.808 -7.584
74 HA PRO 13 HA PRO 13 3.163 3.067 1.793
75 HB2 PRO 13 2HB PRO 13 5.569 4.792 1.319
76 HB3 PRO 13 1HB PRO 13 5.206 3.711 2.678
77 HG2 PRO 13 2HG PRO 13 6.908 3.019 0.737
78 HG3 PRO 13 1HG PRO 13 5.863 1.837 1.542
79 HD2 PRO 13 2HD PRO 13 5.694 2.899 -1.220
80 HD3 PRO 13 1HD PRO 13 5.041 1.390 -0.546
81 H GLU 14 H GLU 14 4.117 5.607 -0.516
82 HA GLU 14 HA GLU 14 3.211 7.875 0.764
83 HB2 GLU 14 2HB GLU 14 3.266 7.117 -2.153
84 HB3 GLU 14 1HB GLU 14 2.722 8.710 -1.620
85 HG2 GLU 14 2HG GLU 14 5.064 8.360 -0.184
86 HG3 GLU 14 1HG GLU 14 5.446 7.609 -1.730
87 H ILE 15 H ILE 15 1.296 5.489 -1.005
88 HA ILE 15 HA ILE 15 -1.127 6.890 -1.186
89 HB ILE 15 HB ILE 15 -0.561 3.936 -0.876
90 HG12 ILE 15 2HG1 ILE 15 -1.233 5.756 -3.198
91 HG13 ILE 15 1HG1 ILE 15 0.316 4.982 -2.901
92 HG21 ILE 15 1HG2 ILE 15 -2.945 3.842 -1.928
93 HG22 ILE 15 2HG2 ILE 15 -3.129 5.470 -1.281
94 HG23 ILE 15 3HG2 ILE 15 -2.817 4.120 -0.193
95 HD11 ILE 15 3HD1 ILE 15 -2.266 3.752 -3.807
96 HD12 ILE 15 1HD1 ILE 15 -1.109 2.771 -2.911
97 HD13 ILE 15 2HD1 ILE 15 -0.638 3.512 -4.441
98 H ABA 16 H ABA 16 0.201 4.947 1.423
99 HA ABA 16 HA ABA 16 -2.098 5.619 3.146
100 HB3 ABA 16 1HB ABA 16 -0.499 3.985 4.656
101 HB2 ABA 16 2HB ABA 16 -0.151 3.407 3.026
102 HG1 ABA 16 HG ABA 16 -2.575 2.863 4.531
103 HN1 NH2 17 2H ABA 16 1.499 7.181 4.286
104 HN2 NH2 17 1H ABA 16 1.449 6.061 3.008
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -9.321 3.644 0.052
2 H2 GLY 1 2HT GLY 1 -7.678 3.681 0.474
3 H3 GLY 1 3HT GLY 1 -8.561 2.237 0.606
4 HA2 GLY 1 2HA GLY 1 -8.944 2.409 -1.881
5 HA3 GLY 1 1HA GLY 1 -7.654 3.612 -1.850
6 H CYS 2 H CYS 2 -6.158 2.358 -3.002
7 HA CYS 2 HA CYS 2 -5.497 -0.294 -2.752
8 HB2 CYS 2 2HB CYS 2 -4.417 1.386 -4.305
9 HB3 CYS 2 1HB CYS 2 -3.419 1.893 -2.944
10 H ABA 3 H ABA 3 -4.696 2.311 -0.537
11 HA ABA 3 HA ABA 3 -2.725 1.150 1.038
12 HB3 ABA 3 1HB ABA 3 -4.453 2.466 2.825
13 HB2 ABA 3 2HB ABA 3 -4.640 3.303 1.287
14 HG1 ABA 3 HG ABA 3 -2.090 3.562 1.210
15 H SER 4 H SER 4 -6.092 0.331 0.795
16 HA SER 4 HA SER 4 -6.528 -0.941 3.250
17 HB2 SER 4 2HB SER 4 -8.177 -2.359 1.910
18 HB3 SER 4 1HB SER 4 -8.412 -0.614 1.856
19 HG SER 4 HG SER 4 -7.350 -0.583 -0.147
20 H ASP 5 H ASP 5 -4.981 -2.161 0.300
21 HA ASP 5 HA ASP 5 -4.697 -4.839 1.352
22 HB2 ASP 5 2HB ASP 5 -4.348 -3.589 -1.180
23 HB3 ASP 5 1HB ASP 5 -2.823 -4.341 -0.748
24 HA PRO 6 HA PRO 6 -1.273 -3.777 4.057
25 HB2 PRO 6 2HB PRO 6 -0.821 -6.718 3.748
26 HB3 PRO 6 1HB PRO 6 -0.903 -5.743 5.227
27 HG2 PRO 6 2HG PRO 6 -2.916 -7.327 4.453
28 HG3 PRO 6 1HG PRO 6 -3.191 -5.792 5.292
29 HD2 PRO 6 2HD PRO 6 -3.658 -6.483 2.442
30 HD3 PRO 6 1HD PRO 6 -4.440 -5.244 3.447
31 H ARG 7 H ARG 7 -1.134 -5.620 1.097
32 HA ARG 7 HA ARG 7 1.713 -5.584 0.806
33 HB2 ARG 7 2HB ARG 7 -0.634 -6.371 -0.846
34 HB3 ARG 7 1HB ARG 7 0.888 -6.067 -1.678
35 HG2 ARG 7 2HG ARG 7 1.147 -7.693 0.777
36 HG3 ARG 7 1HG ARG 7 0.212 -8.459 -0.505
37 HD2 ARG 7 2HD ARG 7 2.830 -8.746 -0.429
38 HD3 ARG 7 1HD ARG 7 2.010 -8.536 -1.969
39 HE ARG 7 HE ARG 7 2.628 -6.094 -1.752
40 HH11 ARG 7 1HH2 ARG 7 4.414 -8.537 -0.094
41 HH12 ARG 7 2HH2 ARG 7 5.876 -7.620 -0.091
42 HH21 ARG 7 1HH1 ARG 7 4.531 -4.948 -1.756
43 HH22 ARG 7 2HH1 ARG 7 5.946 -5.632 -1.012
44 H CYS 8 H CYS 8 -0.894 -3.442 -0.014
45 HA CYS 8 HA CYS 8 0.564 -1.862 -1.928
46 HB2 CYS 8 2HB CYS 8 -2.014 -1.997 -1.535
47 HB3 CYS 8 1HB CYS 8 -1.718 -0.786 -0.288
48 H ASN 9 H ASN 9 0.151 -1.774 1.563
49 HA ASN 9 HA ASN 9 1.161 0.802 2.052
50 HB2 ASN 9 2HB ASN 9 0.051 -0.892 3.680
51 HB3 ASN 9 1HB ASN 9 1.679 -1.522 3.894
52 HD21 ASN 9 1HD2 ASN 9 -0.490 1.015 4.795
53 HD22 ASN 9 2HD2 ASN 9 0.617 1.911 5.716
54 H TYR 10 H TYR 10 2.748 -2.147 1.230
55 HA TYR 10 HA TYR 10 5.412 -1.096 1.859
56 HB2 TYR 10 2HB TYR 10 4.565 -3.730 0.639
57 HB3 TYR 10 1HB TYR 10 6.189 -3.319 1.192
58 HD1 TYR 10 1HD TYR 10 6.334 -2.493 3.718
59 HD2 TYR 10 2HD TYR 10 3.131 -4.824 2.077
60 HE1 TYR 10 1HE TYR 10 5.733 -3.272 5.997
61 HE2 TYR 10 2HE TYR 10 2.531 -5.607 4.354
62 HH TYR 10 HH TYR 10 3.462 -5.840 6.503
63 H ASP 11 H ASP 11 3.296 -1.765 -0.816
64 HA ASP 11 HA ASP 11 5.334 -1.370 -2.837
65 HB2 ASP 11 2HB ASP 11 2.443 -2.099 -2.780
66 HB3 ASP 11 1HB ASP 11 3.086 -1.397 -4.260
67 H HIS 12 H HIS 12 2.773 0.539 -1.325
68 HA HIS 12 HA HIS 12 3.838 2.897 -2.739
69 HB2 HIS 12 2HB HIS 12 1.036 1.864 -2.900
70 HB3 HIS 12 1HB HIS 12 1.327 3.596 -2.982
71 HD2 HIS 12 2HD HIS 12 1.777 0.442 -5.183
72 HE1 HIS 12 1HE HIS 12 3.377 3.713 -7.329
73 HE2 HIS 12 2HE HIS 12 2.738 1.259 -7.481
74 HA PRO 13 HA PRO 13 3.004 3.322 1.962
75 HB2 PRO 13 2HB PRO 13 5.587 4.768 1.536
76 HB3 PRO 13 1HB PRO 13 5.084 3.725 2.879
77 HG2 PRO 13 2HG PRO 13 6.778 2.891 0.983
78 HG3 PRO 13 1HG PRO 13 5.628 1.804 1.776
79 HD2 PRO 13 2HD PRO 13 5.593 2.867 -0.993
80 HD3 PRO 13 1HD PRO 13 4.839 1.398 -0.338
81 H GLU 14 H GLU 14 4.114 5.481 -0.600
82 HA GLU 14 HA GLU 14 3.517 7.969 0.532
83 HB2 GLU 14 2HB GLU 14 4.419 7.019 -1.932
84 HB3 GLU 14 1HB GLU 14 2.920 7.868 -2.311
85 HG2 GLU 14 2HG GLU 14 4.710 9.257 -0.396
86 HG3 GLU 14 1HG GLU 14 5.334 9.100 -2.034
87 H ILE 15 H ILE 15 1.401 5.558 -0.849
88 HA ILE 15 HA ILE 15 -0.860 7.273 -1.252
89 HB ILE 15 HB ILE 15 -0.529 4.281 -1.041
90 HG12 ILE 15 2HG1 ILE 15 -1.096 6.224 -3.286
91 HG13 ILE 15 1HG1 ILE 15 0.387 5.309 -3.046
92 HG21 ILE 15 1HG2 ILE 15 -3.035 5.893 -1.629
93 HG22 ILE 15 2HG2 ILE 15 -2.781 4.831 -0.243
94 HG23 ILE 15 3HG2 ILE 15 -2.878 4.155 -1.867
95 HD11 ILE 15 3HD1 ILE 15 -0.747 4.019 -4.642
96 HD12 ILE 15 1HD1 ILE 15 -2.320 4.322 -3.900
97 HD13 ILE 15 2HD1 ILE 15 -1.178 3.224 -3.127
98 H ABA 16 H ABA 16 0.222 5.174 1.341
99 HA ABA 16 HA ABA 16 -2.096 5.929 2.992
100 HB3 ABA 16 1HB ABA 16 -0.703 4.206 4.550
101 HB2 ABA 16 2HB ABA 16 -0.179 3.671 2.954
102 HG1 ABA 16 HG ABA 16 -2.800 3.182 4.159
103 HN1 NH2 17 2H ABA 16 1.471 7.426 4.259
104 HN2 NH2 17 1H ABA 16 1.412 6.432 2.883
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