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 |
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|
15402 |
1y58   |
6463 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 1HT CYS 1 1.130 4.831 1.750
2 2H CYS 1 2HT CYS 1 0.409 5.575 3.087
3 3H CYS 1 3HT CYS 1 -0.363 4.277 2.324
4 HA CYS 1 HA CYS 1 1.164 4.075 4.524
5 1HB CYS 1 2HB CYS 1 -0.479 2.474 3.474
6 2HB CYS 1 1HB CYS 1 0.819 1.931 2.420
7 H ARG 2 H ARG 2 2.311 3.662 1.196
8 HA ARG 2 HA ARG 2 4.998 4.239 1.959
9 1HB ARG 2 2HB ARG 2 4.950 1.921 2.694
10 2HB ARG 2 1HB ARG 2 4.378 1.410 1.111
11 1HG ARG 2 2HG ARG 2 6.736 0.960 1.313
12 2HG ARG 2 1HG ARG 2 6.464 2.228 0.116
13 1HD ARG 2 2HD ARG 2 8.359 2.776 1.541
14 2HD ARG 2 1HD ARG 2 7.041 3.926 1.763
15 HE ARG 2 HE ARG 2 6.784 1.906 3.681
16 1HH1 ARG 2 1HH1 ARG 2 8.926 4.528 2.858
17 2HH1 ARG 2 2HH1 ARG 2 9.438 4.794 4.491
18 1HH2 ARG 2 1HH2 ARG 2 7.452 2.249 5.835
19 2HH2 ARG 2 2HH2 ARG 2 8.599 3.498 6.184
20 H ARG 3 H ARG 3 3.351 2.360 -0.619
21 HA ARG 3 HA ARG 3 3.648 4.384 -2.572
22 1HB ARG 3 2HB ARG 3 5.412 3.298 -3.954
23 2HB ARG 3 1HB ARG 3 6.013 3.926 -2.424
24 1HG ARG 3 2HG ARG 3 5.898 1.664 -1.472
25 2HG ARG 3 1HG ARG 3 5.359 1.051 -3.036
26 1HD ARG 3 2HD ARG 3 7.447 1.777 -4.055
27 2HD ARG 3 1HD ARG 3 7.982 2.444 -2.513
28 HE ARG 3 HE ARG 3 7.370 -0.255 -2.127
29 1HH1 ARG 3 1HH1 ARG 3 9.690 1.708 -3.835
30 2HH1 ARG 3 2HH1 ARG 3 10.945 0.517 -3.759
31 1HH2 ARG 3 1HH2 ARG 3 9.016 -1.826 -2.023
32 2HH2 ARG 3 2HH2 ARG 3 10.561 -1.493 -2.729
33 H TRP 4 H TRP 4 1.766 2.333 -1.620
34 HA TRP 4 HA TRP 4 0.643 1.600 -4.073
35 1HB TRP 4 2HB TRP 4 0.817 -0.960 -3.637
36 2HB TRP 4 1HB TRP 4 2.110 -0.125 -4.480
37 HD1 TRP 4 HD TRP 4 2.736 0.792 -1.042
38 HE1 TRP 4 1HE TRP 4 4.426 -0.786 0.064
39 HE3 TRP 4 3HE TRP 4 2.560 -3.057 -4.388
40 HZ2 TRP 4 2HZ TRP 4 5.544 -3.337 -0.406
41 HZ3 TRP 4 3HZ TRP 4 3.972 -5.035 -3.991
42 HH2 TRP 4 HH TRP 4 5.431 -5.171 -2.036
43 H GLN 5 H GLN 5 0.890 0.299 -0.767
44 HA GLN 5 HA GLN 5 -1.973 -0.097 -0.725
45 1HB GLN 5 2HB GLN 5 0.253 -0.762 1.166
46 2HB GLN 5 1HB GLN 5 -1.422 -0.834 1.697
47 1HG GLN 5 2HG GLN 5 -0.839 -3.018 1.037
48 2HG GLN 5 1HG GLN 5 -1.852 -2.366 -0.240
49 1HE2 GLN 5 1HE2 GLN 5 -1.227 -2.766 -2.184
50 2HE2 GLN 5 2HE2 GLN 5 0.399 -3.051 -2.701
51 H TRP 6 H TRP 6 -1.533 2.549 -1.076
52 HA TRP 6 HA TRP 6 -1.593 3.898 1.485
53 1HB TRP 6 2HB TRP 6 -2.501 5.668 -0.530
54 2HB TRP 6 1HB TRP 6 -0.928 5.644 0.252
55 HD1 TRP 6 HD TRP 6 1.080 5.257 -1.290
56 HE1 TRP 6 1HE TRP 6 1.407 4.476 -3.719
57 HE3 TRP 6 3HE TRP 6 -3.738 3.921 -2.377
58 HZ2 TRP 6 2HZ TRP 6 -0.164 3.440 -5.820
59 HZ3 TRP 6 3HZ TRP 6 -4.240 3.052 -4.623
60 HH2 TRP 6 HH TRP 6 -2.489 2.816 -6.307
61 H ARG 7 H ARG 7 -3.800 3.160 -1.138
62 HA ARG 7 HA ARG 7 -6.096 3.801 0.588
63 1HB ARG 7 2HB ARG 7 -5.995 3.478 -2.424
64 2HB ARG 7 1HB ARG 7 -7.403 3.936 -1.483
65 1HG ARG 7 2HG ARG 7 -4.880 5.565 -1.653
66 2HG ARG 7 1HG ARG 7 -6.304 5.821 -2.661
67 1HD ARG 7 2HD ARG 7 -6.467 7.379 -0.897
68 2HD ARG 7 1HD ARG 7 -7.614 6.096 -0.518
69 HE ARG 7 HE ARG 7 -5.161 5.533 0.728
70 1HH1 ARG 7 1HH1 ARG 7 -7.804 7.795 0.917
71 2HH1 ARG 7 2HH1 ARG 7 -7.604 8.085 2.613
72 1HH2 ARG 7 1HH2 ARG 7 -4.892 5.905 2.962
73 2HH2 ARG 7 2HH2 ARG 7 -5.949 7.010 3.775
74 H MET 8 H MET 8 -4.734 1.522 -1.705
75 HA MET 8 HA MET 8 -6.623 -0.567 -0.966
76 1HB MET 8 2HB MET 8 -5.340 -1.867 -2.723
77 2HB MET 8 1HB MET 8 -6.207 -0.453 -3.303
78 1HG MET 8 2HG MET 8 -4.117 0.821 -3.279
79 2HG MET 8 1HG MET 8 -3.258 -0.612 -2.718
80 1HE MET 8 1HE MET 8 -2.836 -2.838 -4.386
81 2HE MET 8 2HE MET 8 -3.896 -3.036 -5.782
82 3HE MET 8 3HE MET 8 -4.585 -2.885 -4.165
83 H LYS 9 H LYS 9 -5.566 -0.286 1.268
84 HA LYS 9 HA LYS 9 -2.974 -1.335 1.729
85 1HB LYS 9 2HB LYS 9 -5.229 -1.115 3.721
86 2HB LYS 9 1HB LYS 9 -3.506 -1.177 4.067
87 1HG LYS 9 2HG LYS 9 -3.252 0.990 2.871
88 2HG LYS 9 1HG LYS 9 -5.006 1.056 2.720
89 1HD LYS 9 2HD LYS 9 -4.277 2.378 4.614
90 2HD LYS 9 1HD LYS 9 -5.203 0.984 5.170
91 1HE LYS 9 2HE LYS 9 -3.127 -0.189 5.698
92 2HE LYS 9 1HE LYS 9 -2.192 1.186 5.113
93 1HZ LYS 9 1HZ LYS 9 -4.107 1.970 7.074
94 2HZ LYS 9 2HZ LYS 9 -2.434 2.217 7.049
95 3HZ LYS 9 3HZ LYS 9 -3.066 0.780 7.676
96 H LYS 10 H LYS 10 -3.745 -3.281 0.212
97 HA LYS 10 HA LYS 10 -5.033 -5.393 1.701
98 1HB LYS 10 2HB LYS 10 -4.648 -6.745 -0.348
99 2HB LYS 10 1HB LYS 10 -5.531 -5.257 -0.656
100 1HG LYS 10 2HG LYS 10 -3.485 -4.211 -1.485
101 2HG LYS 10 1HG LYS 10 -2.597 -5.703 -1.171
102 1HD LYS 10 2HD LYS 10 -4.939 -5.435 -3.055
103 2HD LYS 10 1HD LYS 10 -3.243 -5.465 -3.540
104 1HE LYS 10 2HE LYS 10 -3.013 -7.711 -2.596
105 2HE LYS 10 1HE LYS 10 -4.706 -7.678 -2.103
106 1HZ LYS 10 1HZ LYS 10 -5.120 -7.238 -4.598
107 2HZ LYS 10 2HZ LYS 10 -4.780 -8.814 -4.088
108 3HZ LYS 10 3HZ LYS 10 -3.570 -7.881 -4.811
109 H LEU 11 H LEU 11 -1.825 -4.767 0.315
110 HA LEU 11 HA LEU 11 -0.704 -7.064 1.682
111 1HB LEU 11 2HB LEU 11 0.005 -6.476 -0.615
112 2HB LEU 11 1HB LEU 11 0.655 -4.966 -0.006
113 HG LEU 11 HG LEU 11 2.271 -6.226 1.369
114 1HD1 LEU 11 1HD1 LEU 11 2.562 -8.666 0.784
115 2HD1 LEU 11 2HD1 LEU 11 0.951 -8.595 0.071
116 3HD1 LEU 11 3HD1 LEU 11 1.169 -8.272 1.791
117 1HD2 LEU 11 1HD2 LEU 11 2.354 -7.057 -1.526
118 2HD2 LEU 11 2HD2 LEU 11 3.721 -6.876 -0.427
119 3HD2 LEU 11 3HD2 LEU 11 2.804 -5.458 -0.934
120 H GLY 12 H GLY 12 -1.278 -3.816 2.314
121 1HA GLY 12 2HA GLY 12 -0.855 -2.577 4.217
122 2HA GLY 12 1HA GLY 12 0.045 -3.943 4.857
123 HA CYS 13 HA CYS 13 2.626 -1.698 0.874
124 1HB CYS 13 2HB CYS 13 3.168 0.465 1.592
125 2HB CYS 13 1HB CYS 13 1.476 0.270 2.020
126 1HN NH2 14 H CYS 13 3.861 -3.715 1.339
127 2HN NH2 14 2HN CYS 13 4.842 -3.851 2.758
Start of MODEL 2
1 1H CYS 1 1HT CYS 1 -0.239 5.035 3.144
2 2H CYS 1 2HT CYS 1 0.448 4.318 1.775
3 3H CYS 1 3HT CYS 1 1.222 5.623 2.525
4 HA CYS 1 HA CYS 1 1.311 4.146 4.586
5 1HB CYS 1 2HB CYS 1 -0.281 2.507 3.527
6 2HB CYS 1 1HB CYS 1 1.010 2.055 2.420
7 H ARG 2 H ARG 2 2.413 3.832 1.234
8 HA ARG 2 HA ARG 2 5.087 4.530 1.945
9 1HB ARG 2 2HB ARG 2 5.081 2.154 2.628
10 2HB ARG 2 1HB ARG 2 4.629 1.702 0.990
11 1HG ARG 2 2HG ARG 2 6.728 2.693 0.166
12 2HG ARG 2 1HG ARG 2 7.184 3.050 1.831
13 1HD ARG 2 2HD ARG 2 6.650 0.308 0.691
14 2HD ARG 2 1HD ARG 2 8.238 0.992 1.036
15 HE ARG 2 HE ARG 2 6.546 -0.299 2.876
16 1HH1 ARG 2 1HH1 ARG 2 8.647 2.473 2.633
17 2HH1 ARG 2 2HH1 ARG 2 9.012 2.505 4.326
18 1HH2 ARG 2 1HH2 ARG 2 7.023 -0.262 5.105
19 2HH2 ARG 2 2HH2 ARG 2 8.091 0.952 5.729
20 H ARG 3 H ARG 3 3.497 2.574 -0.601
21 HA ARG 3 HA ARG 3 3.517 4.622 -2.521
22 1HB ARG 3 2HB ARG 3 5.317 3.634 -4.017
23 2HB ARG 3 1HB ARG 3 5.860 4.530 -2.609
24 1HG ARG 3 2HG ARG 3 7.245 2.643 -2.733
25 2HG ARG 3 1HG ARG 3 6.098 2.303 -1.438
26 1HD ARG 3 2HD ARG 3 4.770 0.939 -2.968
27 2HD ARG 3 1HD ARG 3 5.900 1.294 -4.274
28 HE ARG 3 HE ARG 3 6.184 -0.721 -2.333
29 1HH1 ARG 3 1HH1 ARG 3 8.065 1.715 -3.977
30 2HH1 ARG 3 2HH1 ARG 3 9.555 0.845 -3.827
31 1HH2 ARG 3 1HH2 ARG 3 8.141 -1.867 -2.134
32 2HH2 ARG 3 2HH2 ARG 3 9.598 -1.188 -2.781
33 H TRP 4 H TRP 4 1.831 2.495 -1.562
34 HA TRP 4 HA TRP 4 0.704 1.674 -3.981
35 1HB TRP 4 2HB TRP 4 1.002 -0.865 -3.543
36 2HB TRP 4 1HB TRP 4 2.259 0.023 -4.388
37 HD1 TRP 4 HD TRP 4 2.849 0.974 -0.960
38 HE1 TRP 4 1HE TRP 4 4.607 -0.527 0.148
39 HE3 TRP 4 3HE TRP 4 2.821 -2.892 -4.286
40 HZ2 TRP 4 2HZ TRP 4 5.827 -3.033 -0.313
41 HZ3 TRP 4 3HZ TRP 4 4.313 -4.810 -3.886
42 HH2 TRP 4 HH TRP 4 5.782 -4.879 -1.935
43 H GLN 5 H GLN 5 1.054 0.431 -0.654
44 HA GLN 5 HA GLN 5 -1.792 -0.086 -0.579
45 1HB GLN 5 2HB GLN 5 0.473 -0.666 1.293
46 2HB GLN 5 1HB GLN 5 -1.194 -0.800 1.837
47 1HG GLN 5 2HG GLN 5 -0.530 -2.960 1.174
48 2HG GLN 5 1HG GLN 5 -1.583 -2.348 -0.092
49 1HE2 GLN 5 1HE2 GLN 5 -0.962 -2.719 -2.043
50 2HE2 GLN 5 2HE2 GLN 5 0.668 -2.940 -2.577
51 H TRP 6 H TRP 6 -1.446 2.578 -0.931
52 HA TRP 6 HA TRP 6 -1.550 3.919 1.634
53 1HB TRP 6 2HB TRP 6 -2.517 5.666 -0.364
54 2HB TRP 6 1HB TRP 6 -0.933 5.678 0.395
55 HD1 TRP 6 HD TRP 6 1.059 5.347 -1.174
56 HE1 TRP 6 1HE TRP 6 1.373 4.589 -3.612
57 HE3 TRP 6 3HE TRP 6 -3.737 3.895 -2.202
58 HZ2 TRP 6 2HZ TRP 6 -0.201 3.525 -5.697
59 HZ3 TRP 6 3HZ TRP 6 -4.248 3.024 -4.445
60 HH2 TRP 6 HH TRP 6 -2.516 2.842 -6.155
61 H ARG 7 H ARG 7 -3.729 3.072 -0.976
62 HA ARG 7 HA ARG 7 -6.040 3.630 0.761
63 1HB ARG 7 2HB ARG 7 -5.932 3.377 -2.257
64 2HB ARG 7 1HB ARG 7 -7.364 3.737 -1.309
65 1HG ARG 7 2HG ARG 7 -4.926 5.497 -1.425
66 2HG ARG 7 1HG ARG 7 -6.359 5.707 -2.432
67 1HD ARG 7 2HD ARG 7 -6.599 7.206 -0.620
68 2HD ARG 7 1HD ARG 7 -7.688 5.862 -0.289
69 HE ARG 7 HE ARG 7 -5.192 5.406 0.942
70 1HH1 ARG 7 1HH1 ARG 7 -8.043 7.391 1.230
71 2HH1 ARG 7 2HH1 ARG 7 -7.877 7.604 2.940
72 1HH2 ARG 7 1HH2 ARG 7 -4.965 5.685 3.191
73 2HH2 ARG 7 2HH2 ARG 7 -6.127 6.635 4.055
74 H MET 8 H MET 8 -4.624 1.447 -1.594
75 HA MET 8 HA MET 8 -6.426 -0.722 -0.887
76 1HB MET 8 2HB MET 8 -5.084 -1.957 -2.640
77 2HB MET 8 1HB MET 8 -5.976 -0.558 -3.220
78 1HG MET 8 2HG MET 8 -3.907 0.765 -3.123
79 2HG MET 8 1HG MET 8 -3.032 -0.673 -2.603
80 1HE MET 8 1HE MET 8 -2.840 -2.833 -3.989
81 2HE MET 8 2HE MET 8 -3.201 -2.983 -5.709
82 3HE MET 8 3HE MET 8 -4.514 -2.951 -4.532
83 H LYS 9 H LYS 9 -5.416 -0.393 1.357
84 HA LYS 9 HA LYS 9 -2.793 -1.332 1.873
85 1HB LYS 9 2HB LYS 9 -5.099 -1.217 3.816
86 2HB LYS 9 1HB LYS 9 -3.384 -1.196 4.199
87 1HG LYS 9 2HG LYS 9 -3.189 0.984 3.055
88 2HG LYS 9 1HG LYS 9 -4.932 0.963 2.785
89 1HD LYS 9 2HD LYS 9 -5.273 0.832 5.230
90 2HD LYS 9 1HD LYS 9 -3.527 0.951 5.454
91 1HE LYS 9 2HE LYS 9 -4.561 3.119 5.778
92 2HE LYS 9 1HE LYS 9 -3.548 3.137 4.336
93 1HZ LYS 9 1HZ LYS 9 -5.744 4.225 4.061
94 2HZ LYS 9 2HZ LYS 9 -6.486 2.722 4.282
95 3HZ LYS 9 3HZ LYS 9 -5.465 2.973 2.957
96 H LYS 10 H LYS 10 -3.495 -3.299 0.330
97 HA LYS 10 HA LYS 10 -4.697 -5.471 1.796
98 1HB LYS 10 2HB LYS 10 -4.258 -6.782 -0.263
99 2HB LYS 10 1HB LYS 10 -5.172 -5.313 -0.569
100 1HG LYS 10 2HG LYS 10 -3.062 -4.213 -1.281
101 2HG LYS 10 1HG LYS 10 -2.245 -5.766 -1.103
102 1HD LYS 10 2HD LYS 10 -4.573 -5.203 -2.941
103 2HD LYS 10 1HD LYS 10 -2.884 -5.329 -3.432
104 1HE LYS 10 2HE LYS 10 -2.833 -7.651 -2.670
105 2HE LYS 10 1HE LYS 10 -4.516 -7.524 -2.159
106 1HZ LYS 10 1HZ LYS 10 -5.230 -7.837 -4.231
107 2HZ LYS 10 2HZ LYS 10 -3.663 -8.360 -4.594
108 3HZ LYS 10 3HZ LYS 10 -4.109 -6.755 -4.893
109 H LEU 11 H LEU 11 -1.502 -4.667 0.487
110 HA LEU 11 HA LEU 11 -0.307 -6.933 1.860
111 1HB LEU 11 2HB LEU 11 0.383 -6.375 -0.445
112 2HB LEU 11 1HB LEU 11 0.969 -4.823 0.123
113 HG LEU 11 HG LEU 11 2.630 -5.986 1.537
114 1HD1 LEU 11 1HD1 LEU 11 1.169 -8.348 0.530
115 2HD1 LEU 11 2HD1 LEU 11 1.981 -8.086 2.073
116 3HD1 LEU 11 3HD1 LEU 11 2.923 -8.486 0.637
117 1HD2 LEU 11 1HD2 LEU 11 3.632 -5.328 -0.407
118 2HD2 LEU 11 2HD2 LEU 11 2.548 -6.279 -1.419
119 3HD2 LEU 11 3HD2 LEU 11 3.849 -7.072 -0.532
120 H GLY 12 H GLY 12 -0.954 -3.675 2.405
121 1HA GLY 12 2HA GLY 12 -0.554 -2.364 4.265
122 2HA GLY 12 1HA GLY 12 0.337 -3.707 4.964
123 HA CYS 13 HA CYS 13 3.035 -1.668 0.957
124 1HB CYS 13 2HB CYS 13 3.491 0.548 1.524
125 2HB CYS 13 1HB CYS 13 1.806 0.348 1.974
126 1HN NH2 14 H CYS 13 3.801 -3.871 2.194
127 2HN NH2 14 2HN CYS 13 5.186 -3.641 3.201
Start of MODEL 3
1 1H CYS 1 1HT CYS 1 0.978 5.464 2.020
2 2H CYS 1 2HT CYS 1 -0.405 5.430 2.993
3 3H CYS 1 3HT CYS 1 -0.166 4.233 1.823
4 HA CYS 1 HA CYS 1 0.874 4.434 4.498
5 1HB CYS 1 2HB CYS 1 -0.622 2.654 3.539
6 2HB CYS 1 1HB CYS 1 0.728 2.132 2.541
7 H ARG 2 H ARG 2 2.170 3.885 1.250
8 HA ARG 2 HA ARG 2 4.791 4.655 2.085
9 1HB ARG 2 2HB ARG 2 4.849 2.364 2.898
10 2HB ARG 2 1HB ARG 2 4.342 1.767 1.324
11 1HG ARG 2 2HG ARG 2 6.421 2.578 0.338
12 2HG ARG 2 1HG ARG 2 6.929 3.193 1.911
13 1HD ARG 2 2HD ARG 2 6.865 0.911 2.811
14 2HD ARG 2 1HD ARG 2 6.376 0.306 1.229
15 HE ARG 2 HE ARG 2 8.757 1.742 0.924
16 1HH1 ARG 2 1HH1 ARG 2 7.610 -1.198 2.409
17 2HH1 ARG 2 2HH1 ARG 2 9.129 -2.017 2.258
18 1HH2 ARG 2 1HH2 ARG 2 10.757 0.671 0.724
19 2HH2 ARG 2 2HH2 ARG 2 10.918 -0.954 1.304
20 H ARG 3 H ARG 3 3.271 2.641 -0.475
21 HA ARG 3 HA ARG 3 3.575 4.608 -2.483
22 1HB ARG 3 2HB ARG 3 5.392 3.505 -3.789
23 2HB ARG 3 1HB ARG 3 5.941 4.212 -2.274
24 1HG ARG 3 2HG ARG 3 5.845 1.988 -1.229
25 2HG ARG 3 1HG ARG 3 5.371 1.299 -2.782
26 1HD ARG 3 2HD ARG 3 7.471 2.022 -3.769
27 2HD ARG 3 1HD ARG 3 7.941 2.785 -2.250
28 HE ARG 3 HE ARG 3 7.394 0.091 -1.741
29 1HH1 ARG 3 1HH1 ARG 3 9.710 2.033 -3.479
30 2HH1 ARG 3 2HH1 ARG 3 10.996 0.888 -3.299
31 1HH2 ARG 3 1HH2 ARG 3 9.083 -1.419 -1.499
32 2HH2 ARG 3 2HH2 ARG 3 10.641 -1.074 -2.175
33 H TRP 4 H TRP 4 1.714 2.513 -1.519
34 HA TRP 4 HA TRP 4 0.666 1.718 -3.986
35 1HB TRP 4 2HB TRP 4 0.900 -0.827 -3.544
36 2HB TRP 4 1HB TRP 4 2.207 0.038 -4.334
37 HD1 TRP 4 HD TRP 4 2.687 0.979 -0.892
38 HE1 TRP 4 1HE TRP 4 4.361 -0.560 0.292
39 HE3 TRP 4 3HE TRP 4 2.696 -2.902 -4.204
40 HZ2 TRP 4 2HZ TRP 4 5.538 -3.097 -0.114
41 HZ3 TRP 4 3HZ TRP 4 4.123 -4.853 -3.737
42 HH2 TRP 4 HH TRP 4 5.512 -4.948 -1.730
43 H GLN 5 H GLN 5 0.867 0.488 -0.648
44 HA GLN 5 HA GLN 5 -1.977 -0.014 -0.677
45 1HB GLN 5 2HB GLN 5 0.219 -0.564 1.282
46 2HB GLN 5 1HB GLN 5 -1.464 -0.666 1.781
47 1HG GLN 5 2HG GLN 5 -0.850 -2.849 1.201
48 2HG GLN 5 1HG GLN 5 -1.798 -2.248 -0.152
49 1HE2 GLN 5 1HE2 GLN 5 -1.060 -2.743 -2.036
50 2HE2 GLN 5 2HE2 GLN 5 0.597 -3.007 -2.453
51 H TRP 6 H TRP 6 -1.748 2.591 -1.096
52 HA TRP 6 HA TRP 6 -1.861 4.015 1.429
53 1HB TRP 6 2HB TRP 6 -2.789 5.715 -0.623
54 2HB TRP 6 1HB TRP 6 -1.202 5.724 0.134
55 HD1 TRP 6 HD TRP 6 0.792 5.288 -1.421
56 HE1 TRP 6 1HE TRP 6 1.087 4.461 -3.838
57 HE3 TRP 6 3HE TRP 6 -4.046 3.939 -2.431
58 HZ2 TRP 6 2HZ TRP 6 -0.508 3.389 -5.899
59 HZ3 TRP 6 3HZ TRP 6 -4.570 3.026 -4.652
60 HH2 TRP 6 HH TRP 6 -2.837 2.756 -6.349
61 H ARG 7 H ARG 7 -3.997 3.060 -1.175
62 HA ARG 7 HA ARG 7 -6.333 3.635 0.524
63 1HB ARG 7 2HB ARG 7 -6.194 3.377 -2.493
64 2HB ARG 7 1HB ARG 7 -7.641 3.720 -1.559
65 1HG ARG 7 2HG ARG 7 -5.228 5.516 -1.614
66 2HG ARG 7 1HG ARG 7 -6.610 5.692 -2.695
67 1HD ARG 7 2HD ARG 7 -6.977 7.205 -0.924
68 2HD ARG 7 1HD ARG 7 -8.049 5.840 -0.623
69 HE ARG 7 HE ARG 7 -5.620 5.452 0.746
70 1HH1 ARG 7 1HH1 ARG 7 -8.479 7.440 0.826
71 2HH1 ARG 7 2HH1 ARG 7 -8.402 7.708 2.534
72 1HH2 ARG 7 1HH2 ARG 7 -5.509 5.803 3.000
73 2HH2 ARG 7 2HH2 ARG 7 -6.715 6.779 3.770
74 H MET 8 H MET 8 -4.837 1.450 -1.770
75 HA MET 8 HA MET 8 -6.650 -0.727 -1.109
76 1HB MET 8 2HB MET 8 -5.290 -1.957 -2.832
77 2HB MET 8 1HB MET 8 -6.122 -0.531 -3.432
78 1HG MET 8 2HG MET 8 -4.018 0.738 -3.224
79 2HG MET 8 1HG MET 8 -3.206 -0.743 -2.722
80 1HE MET 8 1HE MET 8 -4.573 -2.949 -5.454
81 2HE MET 8 2HE MET 8 -3.703 -2.863 -3.923
82 3HE MET 8 3HE MET 8 -2.810 -2.927 -5.441
83 H LYS 9 H LYS 9 -5.559 -0.216 1.149
84 HA LYS 9 HA LYS 9 -2.996 -1.252 1.710
85 1HB LYS 9 2HB LYS 9 -5.359 -0.801 3.537
86 2HB LYS 9 1HB LYS 9 -3.718 -1.129 4.072
87 1HG LYS 9 2HG LYS 9 -2.928 0.927 3.302
88 2HG LYS 9 1HG LYS 9 -4.362 1.211 2.319
89 1HD LYS 9 2HD LYS 9 -4.436 2.601 4.299
90 2HD LYS 9 1HD LYS 9 -5.702 1.376 4.393
91 1HE LYS 9 2HE LYS 9 -4.267 0.019 5.849
92 2HE LYS 9 1HE LYS 9 -3.018 1.259 5.766
93 1HZ LYS 9 1HZ LYS 9 -5.605 2.234 6.589
94 2HZ LYS 9 2HZ LYS 9 -4.078 2.529 7.251
95 3HZ LYS 9 3HZ LYS 9 -4.919 1.121 7.662
96 H LYS 10 H LYS 10 -3.612 -3.288 0.310
97 HA LYS 10 HA LYS 10 -4.944 -5.344 1.852
98 1HB LYS 10 2HB LYS 10 -4.502 -6.784 -0.110
99 2HB LYS 10 1HB LYS 10 -5.359 -5.309 -0.535
100 1HG LYS 10 2HG LYS 10 -3.241 -4.320 -1.294
101 2HG LYS 10 1HG LYS 10 -2.420 -5.837 -0.918
102 1HD LYS 10 2HD LYS 10 -3.834 -7.007 -2.531
103 2HD LYS 10 1HD LYS 10 -4.676 -5.498 -2.894
104 1HE LYS 10 2HE LYS 10 -3.020 -5.932 -4.597
105 2HE LYS 10 1HE LYS 10 -2.548 -4.524 -3.647
106 1HZ LYS 10 1HZ LYS 10 -0.995 -5.876 -2.426
107 2HZ LYS 10 2HZ LYS 10 -0.688 -6.034 -4.081
108 3HZ LYS 10 3HZ LYS 10 -1.489 -7.269 -3.249
109 H LEU 11 H LEU 11 -1.718 -4.627 0.601
110 HA LEU 11 HA LEU 11 -0.569 -6.852 2.075
111 1HB LEU 11 2HB LEU 11 0.173 -6.354 -0.231
112 2HB LEU 11 1HB LEU 11 0.765 -4.797 0.316
113 HG LEU 11 HG LEU 11 2.383 -5.944 1.788
114 1HD1 LEU 11 1HD1 LEU 11 0.802 -8.251 1.018
115 2HD1 LEU 11 2HD1 LEU 11 1.921 -8.044 2.365
116 3HD1 LEU 11 3HD1 LEU 11 2.529 -8.506 0.775
117 1HD2 LEU 11 1HD2 LEU 11 2.428 -6.641 -1.140
118 2HD2 LEU 11 2HD2 LEU 11 3.799 -6.884 -0.057
119 3HD2 LEU 11 3HD2 LEU 11 3.181 -5.258 -0.346
120 H GLY 12 H GLY 12 -1.298 -3.622 2.579
121 1HA GLY 12 2HA GLY 12 -0.926 -2.258 4.401
122 2HA GLY 12 1HA GLY 12 -0.029 -3.577 5.142
123 HA CYS 13 HA CYS 13 2.595 -1.415 1.127
124 1HB CYS 13 2HB CYS 13 3.098 0.769 1.784
125 2HB CYS 13 1HB CYS 13 1.410 0.570 2.217
126 1HN NH2 14 H CYS 13 3.859 -3.403 1.655
127 2HN NH2 14 2HN CYS 13 4.809 -3.497 3.098
Start of MODEL 4
1 1H CYS 1 1HT CYS 1 -0.293 4.403 2.454
2 2H CYS 1 2HT CYS 1 1.128 5.293 2.235
3 3H CYS 1 3HT CYS 1 0.116 5.626 3.549
4 HA CYS 1 HA CYS 1 1.122 4.145 4.810
5 1HB CYS 1 2HB CYS 1 -0.435 2.560 3.624
6 2HB CYS 1 1HB CYS 1 0.882 2.184 2.519
7 H ARG 2 H ARG 2 2.299 3.970 1.461
8 HA ARG 2 HA ARG 2 4.937 4.707 2.247
9 1HB ARG 2 2HB ARG 2 5.031 2.355 2.914
10 2HB ARG 2 1HB ARG 2 4.524 1.864 1.304
11 1HG ARG 2 2HG ARG 2 6.575 2.764 0.362
12 2HG ARG 2 1HG ARG 2 7.080 3.315 1.961
13 1HD ARG 2 2HD ARG 2 7.078 0.989 2.746
14 2HD ARG 2 1HD ARG 2 6.600 0.453 1.136
15 HE ARG 2 HE ARG 2 8.940 1.966 0.902
16 1HH1 ARG 2 1HH1 ARG 2 7.872 -1.072 2.233
17 2HH1 ARG 2 2HH1 ARG 2 9.411 -1.844 2.043
18 1HH2 ARG 2 1HH2 ARG 2 10.970 0.957 0.647
19 2HH2 ARG 2 2HH2 ARG 2 11.172 -0.689 1.142
20 H ARG 3 H ARG 3 3.551 2.699 -0.386
21 HA ARG 3 HA ARG 3 3.517 4.775 -2.279
22 1HB ARG 3 2HB ARG 3 5.452 3.921 -3.699
23 2HB ARG 3 1HB ARG 3 5.857 4.849 -2.265
24 1HG ARG 3 2HG ARG 3 7.378 3.054 -2.350
25 2HG ARG 3 1HG ARG 3 6.223 2.667 -1.076
26 1HD ARG 3 2HD ARG 3 5.014 1.206 -2.632
27 2HD ARG 3 1HD ARG 3 6.184 1.587 -3.893
28 HE ARG 3 HE ARG 3 6.478 -0.359 -1.879
29 1HH1 ARG 3 1HH1 ARG 3 8.302 2.110 -3.537
30 2HH1 ARG 3 2HH1 ARG 3 9.826 1.323 -3.299
31 1HH2 ARG 3 1HH2 ARG 3 8.483 -1.398 -1.563
32 2HH2 ARG 3 2HH2 ARG 3 9.929 -0.668 -2.179
33 H TRP 4 H TRP 4 1.905 2.559 -1.456
34 HA TRP 4 HA TRP 4 0.979 1.687 -3.941
35 1HB TRP 4 2HB TRP 4 1.392 -0.821 -3.539
36 2HB TRP 4 1HB TRP 4 2.682 0.144 -4.235
37 HD1 TRP 4 HD TRP 4 3.078 1.136 -0.861
38 HE1 TRP 4 1HE TRP 4 4.713 -0.360 0.425
39 HE3 TRP 4 3HE TRP 4 3.110 -2.899 -3.984
40 HZ2 TRP 4 2HZ TRP 4 5.871 -2.925 0.167
41 HZ3 TRP 4 3HZ TRP 4 4.509 -4.839 -3.396
42 HH2 TRP 4 HH TRP 4 5.856 -4.851 -1.359
43 H GLN 5 H GLN 5 1.198 0.638 -0.557
44 HA GLN 5 HA GLN 5 -1.621 -0.079 -0.657
45 1HB GLN 5 2HB GLN 5 0.606 -0.648 1.237
46 2HB GLN 5 1HB GLN 5 -1.048 -0.716 1.831
47 1HG GLN 5 2HG GLN 5 -0.503 -2.908 1.199
48 2HG GLN 5 1HG GLN 5 -1.535 -2.278 -0.073
49 1HE2 GLN 5 1HE2 GLN 5 -0.962 -2.793 -2.008
50 2HE2 GLN 5 2HE2 GLN 5 0.654 -3.086 -2.550
51 H TRP 6 H TRP 6 -1.322 2.608 -0.970
52 HA TRP 6 HA TRP 6 -1.621 3.929 1.585
53 1HB TRP 6 2HB TRP 6 -2.555 5.624 -0.492
54 2HB TRP 6 1HB TRP 6 -1.037 5.730 0.388
55 HD1 TRP 6 HD TRP 6 1.088 5.502 -1.024
56 HE1 TRP 6 1HE TRP 6 1.627 4.741 -3.423
57 HE3 TRP 6 3HE TRP 6 -3.525 3.755 -2.382
58 HZ2 TRP 6 2HZ TRP 6 0.279 3.560 -5.601
59 HZ3 TRP 6 3HZ TRP 6 -3.814 2.829 -4.644
60 HH2 TRP 6 HH TRP 6 -1.951 2.733 -6.218
61 H ARG 7 H ARG 7 -3.629 3.042 -1.152
62 HA ARG 7 HA ARG 7 -6.057 3.515 0.442
63 1HB ARG 7 2HB ARG 7 -5.729 3.188 -2.553
64 2HB ARG 7 1HB ARG 7 -7.251 3.460 -1.722
65 1HG ARG 7 2HG ARG 7 -4.947 5.392 -1.668
66 2HG ARG 7 1HG ARG 7 -6.278 5.473 -2.822
67 1HD ARG 7 2HD ARG 7 -6.821 6.983 -1.088
68 2HD ARG 7 1HD ARG 7 -7.832 5.562 -0.831
69 HE ARG 7 HE ARG 7 -5.431 5.366 0.660
70 1HH1 ARG 7 1HH1 ARG 7 -8.509 7.000 0.604
71 2HH1 ARG 7 2HH1 ARG 7 -8.554 7.247 2.318
72 1HH2 ARG 7 1HH2 ARG 7 -5.483 5.687 2.915
73 2HH2 ARG 7 2HH2 ARG 7 -6.834 6.501 3.631
74 H MET 8 H MET 8 -4.432 1.310 -1.760
75 HA MET 8 HA MET 8 -6.193 -0.903 -1.135
76 1HB MET 8 2HB MET 8 -3.712 -0.667 -2.848
77 2HB MET 8 1HB MET 8 -4.600 -2.166 -2.630
78 1HG MET 8 2HG MET 8 -6.582 -1.128 -3.602
79 2HG MET 8 1HG MET 8 -5.684 0.370 -3.833
80 1HE MET 8 1HE MET 8 -4.345 -3.345 -4.370
81 2HE MET 8 2HE MET 8 -4.838 -3.588 -6.047
82 3HE MET 8 3HE MET 8 -6.057 -3.368 -4.791
83 H LYS 9 H LYS 9 -5.401 -0.326 1.220
84 HA LYS 9 HA LYS 9 -2.841 -1.227 2.029
85 1HB LYS 9 2HB LYS 9 -5.321 -0.882 3.713
86 2HB LYS 9 1HB LYS 9 -3.663 -0.946 4.295
87 1HG LYS 9 2HG LYS 9 -3.175 1.119 3.034
88 2HG LYS 9 1HG LYS 9 -4.870 1.195 2.557
89 1HD LYS 9 2HD LYS 9 -3.871 1.221 5.403
90 2HD LYS 9 1HD LYS 9 -4.341 2.651 4.482
91 1HE LYS 9 2HE LYS 9 -6.605 1.730 4.235
92 2HE LYS 9 1HE LYS 9 -6.127 0.325 5.187
93 1HZ LYS 9 1HZ LYS 9 -7.109 2.747 6.119
94 2HZ LYS 9 2HZ LYS 9 -5.487 2.683 6.593
95 3HZ LYS 9 3HZ LYS 9 -6.546 1.441 7.035
96 H LYS 10 H LYS 10 -3.640 -3.300 0.536
97 HA LYS 10 HA LYS 10 -4.798 -5.350 2.197
98 1HB LYS 10 2HB LYS 10 -4.461 -6.804 0.218
99 2HB LYS 10 1HB LYS 10 -5.372 -5.347 -0.155
100 1HG LYS 10 2HG LYS 10 -3.328 -4.323 -1.055
101 2HG LYS 10 1HG LYS 10 -2.456 -5.821 -0.731
102 1HD LYS 10 2HD LYS 10 -3.934 -7.022 -2.253
103 2HD LYS 10 1HD LYS 10 -4.842 -5.538 -2.555
104 1HE LYS 10 2HE LYS 10 -2.800 -4.500 -3.447
105 2HE LYS 10 1HE LYS 10 -1.937 -6.017 -3.202
106 1HZ LYS 10 1HZ LYS 10 -3.106 -7.053 -4.883
107 2HZ LYS 10 2HZ LYS 10 -2.907 -5.495 -5.509
108 3HZ LYS 10 3HZ LYS 10 -4.389 -5.951 -4.835
109 H LEU 11 H LEU 11 -1.674 -4.674 0.670
110 HA LEU 11 HA LEU 11 -0.397 -6.859 2.068
111 1HB LEU 11 2HB LEU 11 0.214 -6.259 -0.263
112 2HB LEU 11 1HB LEU 11 0.824 -4.724 0.325
113 HG LEU 11 HG LEU 11 2.511 -5.932 1.674
114 1HD1 LEU 11 1HD1 LEU 11 2.640 -8.434 0.534
115 2HD1 LEU 11 2HD1 LEU 11 0.917 -8.213 0.835
116 3HD1 LEU 11 3HD1 LEU 11 2.071 -8.061 2.161
117 1HD2 LEU 11 1HD2 LEU 11 2.644 -6.821 -1.194
118 2HD2 LEU 11 2HD2 LEU 11 3.974 -6.398 -0.116
119 3HD2 LEU 11 3HD2 LEU 11 2.882 -5.144 -0.703
120 H GLY 12 H GLY 12 -0.989 -3.548 2.515
121 1HA GLY 12 2HA GLY 12 -0.610 -2.215 4.366
122 2HA GLY 12 1HA GLY 12 0.264 -3.552 5.101
123 HA CYS 13 HA CYS 13 3.011 -1.596 1.082
124 1HB CYS 13 2HB CYS 13 3.488 0.632 1.642
125 2HB CYS 13 1HB CYS 13 1.783 0.443 2.015
126 1HN NH2 14 H CYS 13 3.818 -3.768 2.300
127 2HN NH2 14 2HN CYS 13 5.112 -3.531 3.423
Start of MODEL 5
1 1H CYS 1 1HT CYS 1 -0.404 5.054 2.994
2 2H CYS 1 2HT CYS 1 0.649 4.676 1.725
3 3H CYS 1 3HT CYS 1 1.003 5.964 2.763
4 HA CYS 1 HA CYS 1 1.255 4.442 4.617
5 1HB CYS 1 2HB CYS 1 -0.364 2.793 3.595
6 2HB CYS 1 1HB CYS 1 0.938 2.279 2.529
7 H ARG 2 H ARG 2 2.339 3.926 1.271
8 HA ARG 2 HA ARG 2 5.026 4.639 1.961
9 1HB ARG 2 2HB ARG 2 4.970 2.286 2.724
10 2HB ARG 2 1HB ARG 2 4.521 1.786 1.100
11 1HG ARG 2 2HG ARG 2 6.636 2.577 0.234
12 2HG ARG 2 1HG ARG 2 7.084 3.187 1.829
13 1HD ARG 2 2HD ARG 2 6.960 0.885 2.709
14 2HD ARG 2 1HD ARG 2 6.590 0.305 1.085
15 HE ARG 2 HE ARG 2 8.967 1.760 0.955
16 1HH1 ARG 2 1HH1 ARG 2 7.760 -1.179 2.386
17 2HH1 ARG 2 2HH1 ARG 2 9.295 -1.978 2.351
18 1HH2 ARG 2 1HH2 ARG 2 10.993 0.716 0.908
19 2HH2 ARG 2 2HH2 ARG 2 11.133 -0.901 1.511
20 H ARG 3 H ARG 3 3.437 2.611 -0.537
21 HA ARG 3 HA ARG 3 3.462 4.599 -2.516
22 1HB ARG 3 2HB ARG 3 5.278 3.582 -3.975
23 2HB ARG 3 1HB ARG 3 5.804 4.524 -2.590
24 1HG ARG 3 2HG ARG 3 7.200 2.625 -2.699
25 2HG ARG 3 1HG ARG 3 6.099 2.369 -1.347
26 1HD ARG 3 2HD ARG 3 4.716 0.920 -2.744
27 2HD ARG 3 1HD ARG 3 5.794 1.197 -4.110
28 HE ARG 3 HE ARG 3 6.158 -0.690 -2.047
29 1HH1 ARG 3 1HH1 ARG 3 7.946 1.591 -3.987
30 2HH1 ARG 3 2HH1 ARG 3 9.439 0.723 -3.859
31 1HH2 ARG 3 1HH2 ARG 3 8.121 -1.836 -1.878
32 2HH2 ARG 3 2HH2 ARG 3 9.539 -1.223 -2.663
33 H TRP 4 H TRP 4 1.772 2.494 -1.521
34 HA TRP 4 HA TRP 4 0.701 1.586 -3.943
35 1HB TRP 4 2HB TRP 4 0.982 -0.932 -3.390
36 2HB TRP 4 1HB TRP 4 2.268 -0.084 -4.232
37 HD1 TRP 4 HD TRP 4 2.760 1.015 -0.835
38 HE1 TRP 4 1HE TRP 4 4.469 -0.444 0.400
39 HE3 TRP 4 3HE TRP 4 2.811 -3.005 -3.979
40 HZ2 TRP 4 2HZ TRP 4 5.683 -2.979 0.096
41 HZ3 TRP 4 3HZ TRP 4 4.273 -4.912 -3.436
42 HH2 TRP 4 HH TRP 4 5.676 -4.897 -1.439
43 H GLN 5 H GLN 5 0.970 0.510 -0.556
44 HA GLN 5 HA GLN 5 -1.880 -0.010 -0.517
45 1HB GLN 5 2HB GLN 5 0.355 -0.536 1.408
46 2HB GLN 5 1HB GLN 5 -1.319 -0.629 1.939
47 1HG GLN 5 2HG GLN 5 -0.708 -2.820 1.378
48 2HG GLN 5 1HG GLN 5 -1.692 -2.245 0.043
49 1HE2 GLN 5 1HE2 GLN 5 -0.990 -2.766 -1.858
50 2HE2 GLN 5 2HE2 GLN 5 0.659 -3.028 -2.305
51 H TRP 6 H TRP 6 -1.690 2.584 -0.976
52 HA TRP 6 HA TRP 6 -1.753 4.046 1.538
53 1HB TRP 6 2HB TRP 6 -2.717 5.705 -0.539
54 2HB TRP 6 1HB TRP 6 -1.138 5.757 0.233
55 HD1 TRP 6 HD TRP 6 0.881 5.314 -1.286
56 HE1 TRP 6 1HE TRP 6 1.213 4.457 -3.689
57 HE3 TRP 6 3HE TRP 6 -3.927 3.913 -2.323
58 HZ2 TRP 6 2HZ TRP 6 -0.352 3.339 -5.752
59 HZ3 TRP 6 3HZ TRP 6 -4.424 2.962 -4.537
60 HH2 TRP 6 HH TRP 6 -2.673 2.681 -6.215
61 H ARG 7 H ARG 7 -3.930 3.111 -1.051
62 HA ARG 7 HA ARG 7 -6.240 3.686 0.684
63 1HB ARG 7 2HB ARG 7 -6.137 3.457 -2.335
64 2HB ARG 7 1HB ARG 7 -7.570 3.807 -1.384
65 1HG ARG 7 2HG ARG 7 -5.139 5.576 -1.445
66 2HG ARG 7 1HG ARG 7 -6.531 5.778 -2.508
67 1HD ARG 7 2HD ARG 7 -6.864 7.275 -0.717
68 2HD ARG 7 1HD ARG 7 -7.943 5.915 -0.414
69 HE ARG 7 HE ARG 7 -5.499 5.490 0.915
70 1HH1 ARG 7 1HH1 ARG 7 -8.333 7.510 1.055
71 2HH1 ARG 7 2HH1 ARG 7 -8.227 7.764 2.766
72 1HH2 ARG 7 1HH2 ARG 7 -5.346 5.821 3.167
73 2HH2 ARG 7 2HH2 ARG 7 -6.526 6.805 3.967
74 H MET 8 H MET 8 -4.851 1.502 -1.697
75 HA MET 8 HA MET 8 -6.669 -0.652 -0.975
76 1HB MET 8 2HB MET 8 -5.399 -1.890 -2.765
77 2HB MET 8 1HB MET 8 -6.256 -0.459 -3.318
78 1HG MET 8 2HG MET 8 -4.153 0.798 -3.258
79 2HG MET 8 1HG MET 8 -3.309 -0.658 -2.736
80 1HE MET 8 1HE MET 8 -4.260 -2.829 -3.899
81 2HE MET 8 2HE MET 8 -2.943 -2.937 -5.068
82 3HE MET 8 3HE MET 8 -4.617 -2.964 -5.621
83 H LYS 9 H LYS 9 -5.518 -0.255 1.246
84 HA LYS 9 HA LYS 9 -2.928 -1.277 1.680
85 1HB LYS 9 2HB LYS 9 -5.175 -1.116 3.684
86 2HB LYS 9 1HB LYS 9 -3.450 -1.153 4.025
87 1HG LYS 9 2HG LYS 9 -3.198 1.022 2.910
88 2HG LYS 9 1HG LYS 9 -4.937 1.059 2.625
89 1HD LYS 9 2HD LYS 9 -3.607 0.942 5.331
90 2HD LYS 9 1HD LYS 9 -4.291 2.387 4.586
91 1HE LYS 9 2HE LYS 9 -5.803 -0.116 5.326
92 2HE LYS 9 1HE LYS 9 -5.835 1.412 6.205
93 1HZ LYS 9 1HZ LYS 9 -6.852 0.899 3.466
94 2HZ LYS 9 2HZ LYS 9 -6.717 2.444 4.138
95 3HZ LYS 9 3HZ LYS 9 -7.756 1.307 4.836
96 H LYS 10 H LYS 10 -3.393 -3.263 0.252
97 HA LYS 10 HA LYS 10 -4.774 -5.416 1.597
98 1HB LYS 10 2HB LYS 10 -4.186 -6.759 -0.357
99 2HB LYS 10 1HB LYS 10 -4.917 -5.236 -0.842
100 1HG LYS 10 2HG LYS 10 -2.723 -4.330 -1.371
101 2HG LYS 10 1HG LYS 10 -1.967 -5.837 -0.846
102 1HD LYS 10 2HD LYS 10 -3.293 -7.027 -2.592
103 2HD LYS 10 1HD LYS 10 -3.849 -5.455 -3.171
104 1HE LYS 10 2HE LYS 10 -0.978 -6.355 -3.011
105 2HE LYS 10 1HE LYS 10 -1.952 -6.304 -4.479
106 1HZ LYS 10 1HZ LYS 10 -1.197 -4.244 -4.725
107 2HZ LYS 10 2HZ LYS 10 -0.549 -4.195 -3.164
108 3HZ LYS 10 3HZ LYS 10 -2.173 -3.795 -3.418
109 H LEU 11 H LEU 11 -1.453 -4.609 0.675
110 HA LEU 11 HA LEU 11 -0.434 -6.832 2.267
111 1HB LEU 11 2HB LEU 11 0.455 -6.471 -0.007
112 2HB LEU 11 1HB LEU 11 1.028 -4.888 0.483
113 HG LEU 11 HG LEU 11 2.545 -5.962 2.115
114 1HD1 LEU 11 1HD1 LEU 11 1.383 -7.995 2.592
115 2HD1 LEU 11 2HD1 LEU 11 2.938 -8.412 1.872
116 3HD1 LEU 11 3HD1 LEU 11 1.466 -8.499 0.905
117 1HD2 LEU 11 1HD2 LEU 11 2.720 -6.639 -0.798
118 2HD2 LEU 11 2HD2 LEU 11 3.989 -7.123 0.327
119 3HD2 LEU 11 3HD2 LEU 11 3.601 -5.415 0.116
120 H GLY 12 H GLY 12 -1.086 -3.551 2.551
121 1HA GLY 12 2HA GLY 12 -0.811 -2.128 4.351
122 2HA GLY 12 1HA GLY 12 0.047 -3.416 5.184
123 HA CYS 13 HA CYS 13 2.930 -1.532 1.216
124 1HB CYS 13 2HB CYS 13 3.334 0.697 1.705
125 2HB CYS 13 1HB CYS 13 1.652 0.507 2.176
126 1HN NH2 14 H CYS 13 3.644 -3.698 2.513
127 2HN NH2 14 2HN CYS 13 4.988 -3.453 3.576
Start of MODEL 6
1 1H CYS 1 1HT CYS 1 -0.416 5.012 3.140
2 2H CYS 1 2HT CYS 1 0.208 4.216 1.784
3 3H CYS 1 3HT CYS 1 1.054 5.512 2.466
4 HA CYS 1 HA CYS 1 1.059 4.067 4.589
5 1HB CYS 1 2HB CYS 1 -0.498 2.428 3.485
6 2HB CYS 1 1HB CYS 1 0.822 1.980 2.412
7 H ARG 2 H ARG 2 2.263 3.768 1.271
8 HA ARG 2 HA ARG 2 4.911 4.471 2.054
9 1HB ARG 2 2HB ARG 2 4.945 2.124 2.762
10 2HB ARG 2 1HB ARG 2 4.446 1.625 1.152
11 1HG ARG 2 2HG ARG 2 6.532 2.540 0.236
12 2HG ARG 2 1HG ARG 2 7.034 2.983 1.868
13 1HD ARG 2 2HD ARG 2 6.944 0.631 2.534
14 2HD ARG 2 1HD ARG 2 6.442 0.189 0.903
15 HE ARG 2 HE ARG 2 8.640 0.190 0.340
16 1HH1 ARG 2 1HH1 ARG 2 8.224 2.397 3.008
17 2HH1 ARG 2 2HH1 ARG 2 9.906 2.797 3.103
18 1HH2 ARG 2 1HH2 ARG 2 10.853 0.710 0.465
19 2HH2 ARG 2 2HH2 ARG 2 11.399 1.840 1.660
20 H ARG 3 H ARG 3 3.385 2.489 -0.514
21 HA ARG 3 HA ARG 3 3.457 4.514 -2.457
22 1HB ARG 3 2HB ARG 3 5.299 3.549 -3.893
23 2HB ARG 3 1HB ARG 3 5.817 4.404 -2.449
24 1HG ARG 3 2HG ARG 3 7.180 2.513 -2.550
25 2HG ARG 3 1HG ARG 3 5.964 2.125 -1.334
26 1HD ARG 3 2HD ARG 3 4.706 0.854 -3.016
27 2HD ARG 3 1HD ARG 3 5.940 1.232 -4.215
28 HE ARG 3 HE ARG 3 6.031 -0.857 -2.335
29 1HH1 ARG 3 1HH1 ARG 3 8.084 1.577 -3.756
30 2HH1 ARG 3 2HH1 ARG 3 9.538 0.666 -3.523
31 1HH2 ARG 3 1HH2 ARG 3 7.938 -2.060 -2.029
32 2HH2 ARG 3 2HH2 ARG 3 9.455 -1.402 -2.542
33 H TRP 4 H TRP 4 1.793 2.325 -1.488
34 HA TRP 4 HA TRP 4 0.704 1.500 -3.931
35 1HB TRP 4 2HB TRP 4 1.038 -1.029 -3.504
36 2HB TRP 4 1HB TRP 4 2.306 -0.120 -4.309
37 HD1 TRP 4 HD TRP 4 2.831 0.847 -0.892
38 HE1 TRP 4 1HE TRP 4 4.556 -0.648 0.274
39 HE3 TRP 4 3HE TRP 4 2.843 -3.068 -4.162
40 HZ2 TRP 4 2HZ TRP 4 5.770 -3.171 -0.128
41 HZ3 TRP 4 3HZ TRP 4 4.315 -4.988 -3.704
42 HH2 TRP 4 HH TRP 4 5.745 -5.039 -1.725
43 H GLN 5 H GLN 5 1.028 0.400 -0.560
44 HA GLN 5 HA GLN 5 -1.800 -0.250 -0.541
45 1HB GLN 5 2HB GLN 5 0.458 -0.740 1.358
46 2HB GLN 5 1HB GLN 5 -1.204 -0.888 1.909
47 1HG GLN 5 2HG GLN 5 -0.522 -3.052 1.296
48 2HG GLN 5 1HG GLN 5 -1.570 -2.483 0.008
49 1HE2 GLN 5 1HE2 GLN 5 -0.928 -2.853 -1.946
50 2HE2 GLN 5 2HE2 GLN 5 0.709 -3.099 -2.449
51 H TRP 6 H TRP 6 -1.302 2.505 -0.861
52 HA TRP 6 HA TRP 6 -1.653 3.788 1.701
53 1HB TRP 6 2HB TRP 6 -2.506 5.555 -0.337
54 2HB TRP 6 1HB TRP 6 -0.987 5.588 0.547
55 HD1 TRP 6 HD TRP 6 1.118 5.378 -0.881
56 HE1 TRP 6 1HE TRP 6 1.645 4.658 -3.294
57 HE3 TRP 6 3HE TRP 6 -3.519 3.720 -2.269
58 HZ2 TRP 6 2HZ TRP 6 0.279 3.541 -5.497
59 HZ3 TRP 6 3HZ TRP 6 -3.822 2.847 -4.550
60 HH2 TRP 6 HH TRP 6 -1.963 2.758 -6.128
61 H ARG 7 H ARG 7 -3.600 2.923 -1.065
62 HA ARG 7 HA ARG 7 -6.062 3.429 0.465
63 1HB ARG 7 2HB ARG 7 -5.683 3.133 -2.528
64 2HB ARG 7 1HB ARG 7 -7.204 3.460 -1.715
65 1HG ARG 7 2HG ARG 7 -4.817 5.293 -1.673
66 2HG ARG 7 1HG ARG 7 -6.190 5.451 -2.768
67 1HD ARG 7 2HD ARG 7 -6.595 6.957 -0.995
68 2HD ARG 7 1HD ARG 7 -7.653 5.577 -0.711
69 HE ARG 7 HE ARG 7 -5.229 5.211 0.674
70 1HH1 ARG 7 1HH1 ARG 7 -8.126 7.141 0.752
71 2HH1 ARG 7 2HH1 ARG 7 -8.059 7.406 2.462
72 1HH2 ARG 7 1HH2 ARG 7 -5.130 5.555 2.926
73 2HH2 ARG 7 2HH2 ARG 7 -6.355 6.504 3.698
74 H MET 8 H MET 8 -4.371 1.254 -1.704
75 HA MET 8 HA MET 8 -6.170 -0.964 -1.215
76 1HB MET 8 2HB MET 8 -3.566 -0.776 -2.750
77 2HB MET 8 1HB MET 8 -4.594 -2.198 -2.693
78 1HG MET 8 2HG MET 8 -6.376 -0.985 -3.791
79 2HG MET 8 1HG MET 8 -5.398 0.481 -3.798
80 1HE MET 8 1HE MET 8 -3.083 0.690 -5.621
81 2HE MET 8 2HE MET 8 -2.337 -0.878 -5.937
82 3HE MET 8 3HE MET 8 -2.688 -0.385 -4.280
83 H LYS 9 H LYS 9 -5.497 -0.454 1.189
84 HA LYS 9 HA LYS 9 -2.970 -1.346 2.100
85 1HB LYS 9 2HB LYS 9 -5.522 -1.110 3.690
86 2HB LYS 9 1HB LYS 9 -3.881 -1.110 4.322
87 1HG LYS 9 2HG LYS 9 -3.446 0.999 3.121
88 2HG LYS 9 1HG LYS 9 -5.123 1.006 2.576
89 1HD LYS 9 2HD LYS 9 -4.207 1.059 5.448
90 2HD LYS 9 1HD LYS 9 -4.788 2.450 4.533
91 1HE LYS 9 2HE LYS 9 -6.959 1.346 4.247
92 2HE LYS 9 1HE LYS 9 -6.374 -0.036 5.172
93 1HZ LYS 9 1HZ LYS 9 -5.894 1.819 6.936
94 2HZ LYS 9 2HZ LYS 9 -7.435 1.136 6.793
95 3HZ LYS 9 3HZ LYS 9 -7.111 2.643 6.098
96 H LYS 10 H LYS 10 -3.682 -3.396 0.516
97 HA LYS 10 HA LYS 10 -4.864 -5.502 2.092
98 1HB LYS 10 2HB LYS 10 -4.428 -6.908 0.096
99 2HB LYS 10 1HB LYS 10 -5.367 -5.467 -0.271
100 1HG LYS 10 2HG LYS 10 -3.357 -4.371 -1.116
101 2HG LYS 10 1HG LYS 10 -2.416 -5.817 -0.750
102 1HD LYS 10 2HD LYS 10 -3.861 -7.099 -2.296
103 2HD LYS 10 1HD LYS 10 -4.695 -5.599 -2.712
104 1HE LYS 10 2HE LYS 10 -1.756 -6.135 -3.079
105 2HE LYS 10 1HE LYS 10 -2.969 -6.184 -4.359
106 1HZ LYS 10 1HZ LYS 10 -1.994 -4.079 -4.509
107 2HZ LYS 10 2HZ LYS 10 -2.001 -3.839 -2.835
108 3HZ LYS 10 3HZ LYS 10 -3.453 -3.796 -3.700
109 H LEU 11 H LEU 11 -1.700 -4.733 0.693
110 HA LEU 11 HA LEU 11 -0.445 -6.923 2.120
111 1HB LEU 11 2HB LEU 11 0.227 -6.408 -0.192
112 2HB LEU 11 1HB LEU 11 0.765 -4.822 0.329
113 HG LEU 11 HG LEU 11 2.472 -5.891 1.764
114 1HD1 LEU 11 1HD1 LEU 11 1.310 -8.403 0.597
115 2HD1 LEU 11 2HD1 LEU 11 1.562 -7.991 2.293
116 3HD1 LEU 11 3HD1 LEU 11 2.945 -8.333 1.255
117 1HD2 LEU 11 1HD2 LEU 11 3.236 -7.187 -0.679
118 2HD2 LEU 11 2HD2 LEU 11 3.852 -5.697 0.038
119 3HD2 LEU 11 3HD2 LEU 11 2.450 -5.648 -1.029
120 H GLY 12 H GLY 12 -1.115 -3.645 2.575
121 1HA GLY 12 2HA GLY 12 -0.726 -2.271 4.383
122 2HA GLY 12 1HA GLY 12 0.120 -3.605 5.156
123 HA CYS 13 HA CYS 13 2.987 -1.795 1.161
124 1HB CYS 13 2HB CYS 13 3.474 0.442 1.663
125 2HB CYS 13 1HB CYS 13 1.758 0.281 1.999
126 1HN NH2 14 H CYS 13 3.823 -3.912 2.340
127 2HN NH2 14 2HN CYS 13 5.051 -3.680 3.535
Start of MODEL 7
1 1H CYS 1 1HT CYS 1 0.030 5.835 2.843
2 2H CYS 1 2HT CYS 1 -0.701 4.440 2.226
3 3H CYS 1 3HT CYS 1 0.770 4.977 1.587
4 HA CYS 1 HA CYS 1 0.813 4.506 4.431
5 1HB CYS 1 2HB CYS 1 -0.731 2.733 3.553
6 2HB CYS 1 1HB CYS 1 0.576 2.173 2.518
7 H ARG 2 H ARG 2 2.033 3.864 1.166
8 HA ARG 2 HA ARG 2 4.682 4.610 1.943
9 1HB ARG 2 2HB ARG 2 4.710 2.326 2.786
10 2HB ARG 2 1HB ARG 2 4.171 1.721 1.225
11 1HG ARG 2 2HG ARG 2 6.246 2.443 0.198
12 2HG ARG 2 1HG ARG 2 6.784 3.130 1.732
13 1HD ARG 2 2HD ARG 2 6.737 0.906 2.744
14 2HD ARG 2 1HD ARG 2 6.183 0.218 1.219
15 HE ARG 2 HE ARG 2 8.565 1.587 0.732
16 1HH1 ARG 2 1HH1 ARG 2 7.445 -1.201 2.495
17 2HH1 ARG 2 2HH1 ARG 2 8.946 -2.055 2.353
18 1HH2 ARG 2 1HH2 ARG 2 10.546 0.471 0.540
19 2HH2 ARG 2 2HH2 ARG 2 10.709 -1.104 1.243
20 H ARG 3 H ARG 3 3.137 2.553 -0.562
21 HA ARG 3 HA ARG 3 3.369 4.490 -2.601
22 1HB ARG 3 2HB ARG 3 5.189 3.407 -3.928
23 2HB ARG 3 1HB ARG 3 5.745 4.170 -2.444
24 1HG ARG 3 2HG ARG 3 5.698 1.938 -1.350
25 2HG ARG 3 1HG ARG 3 5.316 1.231 -2.922
26 1HD ARG 3 2HD ARG 3 7.402 2.072 -3.834
27 2HD ARG 3 1HD ARG 3 7.774 2.867 -2.304
28 HE ARG 3 HE ARG 3 7.369 0.121 -1.846
29 1HH1 ARG 3 1HH1 ARG 3 9.651 2.293 -3.342
30 2HH1 ARG 3 2HH1 ARG 3 11.009 1.246 -3.092
31 1HH2 ARG 3 1HH2 ARG 3 9.154 -1.261 -1.512
32 2HH2 ARG 3 2HH2 ARG 3 10.725 -0.775 -2.054
33 H TRP 4 H TRP 4 1.556 2.422 -1.585
34 HA TRP 4 HA TRP 4 0.492 1.538 -4.012
35 1HB TRP 4 2HB TRP 4 0.752 -0.988 -3.492
36 2HB TRP 4 1HB TRP 4 2.048 -0.139 -4.315
37 HD1 TRP 4 HD TRP 4 2.553 0.927 -0.917
38 HE1 TRP 4 1HE TRP 4 4.233 -0.565 0.316
39 HE3 TRP 4 3HE TRP 4 2.548 -3.081 -4.079
40 HZ2 TRP 4 2HZ TRP 4 5.407 -3.116 0.004
41 HZ3 TRP 4 3HZ TRP 4 3.978 -5.013 -3.541
42 HH2 TRP 4 HH TRP 4 5.376 -5.028 -1.538
43 H GLN 5 H GLN 5 0.733 0.367 -0.652
44 HA GLN 5 HA GLN 5 -2.112 -0.114 -0.630
45 1HB GLN 5 2HB GLN 5 0.113 -0.646 1.300
46 2HB GLN 5 1HB GLN 5 -1.561 -0.722 1.834
47 1HG GLN 5 2HG GLN 5 -0.982 -2.921 1.286
48 2HG GLN 5 1HG GLN 5 -1.945 -2.339 -0.061
49 1HE2 GLN 5 1HE2 GLN 5 -1.250 -2.930 -1.935
50 2HE2 GLN 5 2HE2 GLN 5 0.399 -3.206 -2.378
51 H TRP 6 H TRP 6 -1.926 2.483 -1.085
52 HA TRP 6 HA TRP 6 -2.010 3.904 1.453
53 1HB TRP 6 2HB TRP 6 -2.908 5.624 -0.602
54 2HB TRP 6 1HB TRP 6 -1.343 5.635 0.197
55 HD1 TRP 6 HD TRP 6 0.686 5.261 -1.312
56 HE1 TRP 6 1HE TRP 6 1.061 4.458 -3.725
57 HE3 TRP 6 3HE TRP 6 -4.095 3.828 -2.457
58 HZ2 TRP 6 2HZ TRP 6 -0.458 3.371 -5.835
59 HZ3 TRP 6 3HZ TRP 6 -4.544 2.925 -4.697
60 HH2 TRP 6 HH TRP 6 -2.764 2.701 -6.351
61 H ARG 7 H ARG 7 -4.142 3.059 -1.207
62 HA ARG 7 HA ARG 7 -6.479 3.654 0.483
63 1HB ARG 7 2HB ARG 7 -6.363 3.317 -2.526
64 2HB ARG 7 1HB ARG 7 -7.774 3.774 -1.586
65 1HG ARG 7 2HG ARG 7 -5.264 5.423 -1.767
66 2HG ARG 7 1HG ARG 7 -6.679 5.650 -2.794
67 1HD ARG 7 2HD ARG 7 -6.873 7.233 -1.055
68 2HD ARG 7 1HD ARG 7 -8.014 5.947 -0.670
69 HE ARG 7 HE ARG 7 -5.578 5.412 0.612
70 1HH1 ARG 7 1HH1 ARG 7 -8.221 7.680 0.737
71 2HH1 ARG 7 2HH1 ARG 7 -8.030 8.004 2.428
72 1HH2 ARG 7 1HH2 ARG 7 -5.319 5.837 2.836
73 2HH2 ARG 7 2HH2 ARG 7 -6.381 6.958 3.620
74 H MET 8 H MET 8 -4.977 1.396 -1.736
75 HA MET 8 HA MET 8 -6.848 -0.729 -1.040
76 1HB MET 8 2HB MET 8 -5.593 -2.010 -2.782
77 2HB MET 8 1HB MET 8 -6.350 -0.544 -3.382
78 1HG MET 8 2HG MET 8 -4.201 0.605 -3.285
79 2HG MET 8 1HG MET 8 -3.443 -0.862 -2.667
80 1HE MET 8 1HE MET 8 -1.891 -0.008 -4.371
81 2HE MET 8 2HE MET 8 -2.384 0.445 -6.001
82 3HE MET 8 3HE MET 8 -1.678 -1.143 -5.704
83 H LYS 9 H LYS 9 -5.675 -0.213 1.190
84 HA LYS 9 HA LYS 9 -3.134 -1.286 1.713
85 1HB LYS 9 2HB LYS 9 -5.489 -0.830 3.545
86 2HB LYS 9 1HB LYS 9 -3.872 -1.245 4.092
87 1HG LYS 9 2HG LYS 9 -2.978 0.794 3.343
88 2HG LYS 9 1HG LYS 9 -4.430 1.179 2.420
89 1HD LYS 9 2HD LYS 9 -4.322 2.482 4.487
90 2HD LYS 9 1HD LYS 9 -5.697 1.377 4.510
91 1HE LYS 9 2HE LYS 9 -4.522 1.411 6.659
92 2HE LYS 9 1HE LYS 9 -4.450 -0.179 5.901
93 1HZ LYS 9 1HZ LYS 9 -2.218 1.082 4.988
94 2HZ LYS 9 2HZ LYS 9 -2.270 -0.049 6.245
95 3HZ LYS 9 3HZ LYS 9 -2.320 1.606 6.593
96 H LYS 10 H LYS 10 -3.580 -3.298 0.352
97 HA LYS 10 HA LYS 10 -5.001 -5.399 1.754
98 1HB LYS 10 2HB LYS 10 -4.403 -6.796 -0.196
99 2HB LYS 10 1HB LYS 10 -5.248 -5.322 -0.652
100 1HG LYS 10 2HG LYS 10 -3.122 -4.297 -1.281
101 2HG LYS 10 1HG LYS 10 -2.276 -5.775 -0.823
102 1HD LYS 10 2HD LYS 10 -3.458 -7.017 -2.534
103 2HD LYS 10 1HD LYS 10 -4.406 -5.587 -2.951
104 1HE LYS 10 2HE LYS 10 -2.608 -5.888 -4.546
105 2HE LYS 10 1HE LYS 10 -2.345 -4.427 -3.594
106 1HZ LYS 10 1HZ LYS 10 -1.117 -6.689 -2.381
107 2HZ LYS 10 2HZ LYS 10 -0.426 -5.218 -2.851
108 3HZ LYS 10 3HZ LYS 10 -0.564 -6.481 -3.967
109 H LEU 11 H LEU 11 -1.697 -4.642 0.737
110 HA LEU 11 HA LEU 11 -0.658 -6.850 2.338
111 1HB LEU 11 2HB LEU 11 0.196 -6.533 0.050
112 2HB LEU 11 1HB LEU 11 0.771 -4.937 0.493
113 HG LEU 11 HG LEU 11 2.324 -5.960 2.116
114 1HD1 LEU 11 1HD1 LEU 11 0.931 -8.427 1.233
115 2HD1 LEU 11 2HD1 LEU 11 1.533 -7.972 2.826
116 3HD1 LEU 11 3HD1 LEU 11 2.657 -8.527 1.586
117 1HD2 LEU 11 1HD2 LEU 11 2.871 -5.514 -0.337
118 2HD2 LEU 11 2HD2 LEU 11 2.718 -7.256 -0.565
119 3HD2 LEU 11 3HD2 LEU 11 3.934 -6.614 0.540
120 H GLY 12 H GLY 12 -1.382 -3.616 2.694
121 1HA GLY 12 2HA GLY 12 -1.037 -2.189 4.476
122 2HA GLY 12 1HA GLY 12 -0.108 -3.462 5.256
123 HA CYS 13 HA CYS 13 2.438 -1.422 1.131
124 1HB CYS 13 2HB CYS 13 2.931 0.781 1.726
125 2HB CYS 13 1HB CYS 13 1.257 0.574 2.210
126 1HN NH2 14 H CYS 13 3.811 -3.324 1.595
127 2HN NH2 14 2HN CYS 13 4.677 -3.464 3.085
Start of MODEL 8
1 1H CYS 1 1HT CYS 1 1.299 5.010 2.015
2 2H CYS 1 2HT CYS 1 0.418 5.619 3.324
3 3H CYS 1 3HT CYS 1 -0.177 4.302 2.443
4 HA CYS 1 HA CYS 1 1.337 4.210 4.730
5 1HB CYS 1 2HB CYS 1 -0.366 2.610 3.790
6 2HB CYS 1 1HB CYS 1 0.883 2.011 2.706
7 H ARG 2 H ARG 2 2.382 3.707 1.381
8 HA ARG 2 HA ARG 2 5.110 4.204 2.099
9 1HB ARG 2 2HB ARG 2 4.961 1.855 2.767
10 2HB ARG 2 1HB ARG 2 4.371 1.426 1.169
11 1HG ARG 2 2HG ARG 2 6.507 2.182 0.204
12 2HG ARG 2 1HG ARG 2 7.094 2.527 1.832
13 1HD ARG 2 2HD ARG 2 6.803 0.171 2.431
14 2HD ARG 2 1HD ARG 2 6.217 -0.171 0.805
15 HE ARG 2 HE ARG 2 8.391 -0.342 0.166
16 1HH1 ARG 2 1HH1 ARG 2 8.252 1.767 2.939
17 2HH1 ARG 2 2HH1 ARG 2 9.966 2.003 3.005
18 1HH2 ARG 2 1HH2 ARG 2 10.648 -0.036 0.249
19 2HH2 ARG 2 2HH2 ARG 2 11.327 0.978 1.477
20 H ARG 3 H ARG 3 3.374 2.411 -0.479
21 HA ARG 3 HA ARG 3 3.633 4.467 -2.401
22 1HB ARG 3 2HB ARG 3 5.365 3.388 -3.841
23 2HB ARG 3 1HB ARG 3 5.998 4.018 -2.324
24 1HG ARG 3 2HG ARG 3 5.864 1.735 -1.377
25 2HG ARG 3 1HG ARG 3 5.374 1.146 -2.966
26 1HD ARG 3 2HD ARG 3 7.473 1.908 -3.922
27 2HD ARG 3 1HD ARG 3 7.959 2.579 -2.365
28 HE ARG 3 HE ARG 3 7.388 -0.143 -2.028
29 1HH1 ARG 3 1HH1 ARG 3 9.730 1.912 -3.588
30 2HH1 ARG 3 2HH1 ARG 3 11.014 0.755 -3.468
31 1HH2 ARG 3 1HH2 ARG 3 9.071 -1.670 -1.866
32 2HH2 ARG 3 2HH2 ARG 3 10.638 -1.283 -2.492
33 H TRP 4 H TRP 4 1.754 2.426 -1.454
34 HA TRP 4 HA TRP 4 0.589 1.716 -3.896
35 1HB TRP 4 2HB TRP 4 0.754 -0.847 -3.481
36 2HB TRP 4 1HB TRP 4 2.048 -0.015 -4.326
37 HD1 TRP 4 HD TRP 4 2.664 0.867 -0.873
38 HE1 TRP 4 1HE TRP 4 4.362 -0.714 0.216
39 HE3 TRP 4 3HE TRP 4 2.524 -2.933 -4.273
40 HZ2 TRP 4 2HZ TRP 4 5.498 -3.247 -0.286
41 HZ3 TRP 4 3HZ TRP 4 3.949 -4.907 -3.900
42 HH2 TRP 4 HH TRP 4 5.402 -5.060 -1.943
43 H GLN 5 H GLN 5 0.868 0.367 -0.605
44 HA GLN 5 HA GLN 5 -1.993 0.007 -0.524
45 1HB GLN 5 2HB GLN 5 0.243 -0.692 1.345
46 2HB GLN 5 1HB GLN 5 -1.430 -0.758 1.879
47 1HG GLN 5 2HG GLN 5 -0.893 -2.940 1.213
48 2HG GLN 5 1HG GLN 5 -1.863 -2.268 -0.088
49 1HE2 GLN 5 1HE2 GLN 5 -1.202 -2.801 -1.995
50 2HE2 GLN 5 2HE2 GLN 5 0.436 -3.074 -2.474
51 H TRP 6 H TRP 6 -1.775 2.572 -0.887
52 HA TRP 6 HA TRP 6 -1.694 3.941 1.682
53 1HB TRP 6 2HB TRP 6 -2.581 5.747 -0.285
54 2HB TRP 6 1HB TRP 6 -0.974 5.646 0.419
55 HD1 TRP 6 HD TRP 6 0.933 5.229 -1.235
56 HE1 TRP 6 1HE TRP 6 1.111 4.446 -3.679
57 HE3 TRP 6 3HE TRP 6 -3.969 3.991 -2.068
58 HZ2 TRP 6 2HZ TRP 6 -0.590 3.444 -5.691
59 HZ3 TRP 6 3HZ TRP 6 -4.603 3.132 -4.282
60 HH2 TRP 6 HH TRP 6 -2.948 2.863 -6.056
61 H ARG 7 H ARG 7 -3.922 2.954 -0.792
62 HA ARG 7 HA ARG 7 -6.163 3.611 0.996
63 1HB ARG 7 2HB ARG 7 -6.242 3.564 -2.030
64 2HB ARG 7 1HB ARG 7 -7.564 3.995 -0.955
65 1HG ARG 7 2HG ARG 7 -5.023 5.532 -1.436
66 2HG ARG 7 1HG ARG 7 -6.664 6.002 -1.866
67 1HD ARG 7 2HD ARG 7 -5.452 5.793 0.878
68 2HD ARG 7 1HD ARG 7 -6.076 7.233 0.076
69 HE ARG 7 HE ARG 7 -7.551 5.422 1.643
70 1HH1 ARG 7 1HH1 ARG 7 -7.805 7.269 -1.304
71 2HH1 ARG 7 2HH1 ARG 7 -9.532 7.372 -1.240
72 1HH2 ARG 7 1HH2 ARG 7 -9.822 5.553 1.732
73 2HH2 ARG 7 2HH2 ARG 7 -10.679 6.398 0.486
74 H MET 8 H MET 8 -4.826 1.524 -1.483
75 HA MET 8 HA MET 8 -6.725 -0.606 -0.907
76 1HB MET 8 2HB MET 8 -5.523 -1.805 -2.726
77 2HB MET 8 1HB MET 8 -6.189 -0.264 -3.240
78 1HG MET 8 2HG MET 8 -3.989 0.757 -3.067
79 2HG MET 8 1HG MET 8 -3.314 -0.770 -2.502
80 1HE MET 8 1HE MET 8 -2.048 0.367 -5.951
81 2HE MET 8 2HE MET 8 -1.453 -1.126 -5.224
82 3HE MET 8 3HE MET 8 -1.769 0.283 -4.212
83 H LYS 9 H LYS 9 -5.508 -0.167 1.336
84 HA LYS 9 HA LYS 9 -2.995 -1.350 1.786
85 1HB LYS 9 2HB LYS 9 -5.266 -0.841 3.710
86 2HB LYS 9 1HB LYS 9 -3.617 -1.236 4.171
87 1HG LYS 9 2HG LYS 9 -2.784 0.803 3.374
88 2HG LYS 9 1HG LYS 9 -4.266 1.159 2.491
89 1HD LYS 9 2HD LYS 9 -4.171 2.511 4.491
90 2HD LYS 9 1HD LYS 9 -5.464 1.322 4.654
91 1HE LYS 9 2HE LYS 9 -3.970 -0.099 5.988
92 2HE LYS 9 1HE LYS 9 -2.697 1.113 5.841
93 1HZ LYS 9 1HZ LYS 9 -4.464 0.991 7.859
94 2HZ LYS 9 2HZ LYS 9 -5.205 2.127 6.849
95 3HZ LYS 9 3HZ LYS 9 -3.629 2.391 7.404
96 H LYS 10 H LYS 10 -3.694 -3.337 0.390
97 HA LYS 10 HA LYS 10 -5.071 -5.372 1.927
98 1HB LYS 10 2HB LYS 10 -4.718 -6.793 -0.063
99 2HB LYS 10 1HB LYS 10 -5.527 -5.282 -0.455
100 1HG LYS 10 2HG LYS 10 -3.415 -4.358 -1.257
101 2HG LYS 10 1HG LYS 10 -2.605 -5.876 -0.868
102 1HD LYS 10 2HD LYS 10 -4.008 -7.057 -2.466
103 2HD LYS 10 1HD LYS 10 -4.878 -5.563 -2.826
104 1HE LYS 10 2HE LYS 10 -3.227 -5.995 -4.544
105 2HE LYS 10 1HE LYS 10 -2.788 -4.557 -3.621
106 1HZ LYS 10 1HZ LYS 10 -1.687 -7.176 -2.857
107 2HZ LYS 10 2HZ LYS 10 -1.044 -5.632 -2.607
108 3HZ LYS 10 3HZ LYS 10 -1.001 -6.324 -4.148
109 H LEU 11 H LEU 11 -1.859 -4.712 0.626
110 HA LEU 11 HA LEU 11 -0.714 -6.992 2.007
111 1HB LEU 11 2HB LEU 11 0.029 -6.467 -0.267
112 2HB LEU 11 1HB LEU 11 0.573 -4.889 0.272
113 HG LEU 11 HG LEU 11 2.228 -5.997 1.748
114 1HD1 LEU 11 1HD1 LEU 11 2.701 -8.374 1.433
115 2HD1 LEU 11 2HD1 LEU 11 1.303 -8.510 0.367
116 3HD1 LEU 11 3HD1 LEU 11 1.077 -8.116 2.070
117 1HD2 LEU 11 1HD2 LEU 11 2.406 -5.474 -0.900
118 2HD2 LEU 11 2HD2 LEU 11 2.843 -7.183 -0.869
119 3HD2 LEU 11 3HD2 LEU 11 3.754 -6.024 0.096
120 H GLY 12 H GLY 12 -1.297 -3.713 2.555
121 1HA GLY 12 2HA GLY 12 -0.899 -2.438 4.447
122 2HA GLY 12 1HA GLY 12 -0.010 -3.795 5.126
123 HA CYS 13 HA CYS 13 2.551 -1.583 1.096
124 1HB CYS 13 2HB CYS 13 3.146 0.556 1.819
125 2HB CYS 13 1HB CYS 13 1.469 0.392 2.311
126 1HN NH2 14 H CYS 13 3.853 -3.567 1.427
127 2HN NH2 14 2HN CYS 13 4.737 -3.825 2.890
Start of MODEL 9
1 1H CYS 1 1HT CYS 1 0.284 4.376 1.972
2 2H CYS 1 2HT CYS 1 1.184 5.587 2.736
3 3H CYS 1 3HT CYS 1 -0.348 5.177 3.322
4 HA CYS 1 HA CYS 1 1.005 4.099 4.807
5 1HB CYS 1 2HB CYS 1 -0.653 2.622 3.604
6 2HB CYS 1 1HB CYS 1 0.676 2.066 2.594
7 H ARG 2 H ARG 2 2.279 3.678 1.516
8 HA ARG 2 HA ARG 2 4.961 4.123 2.429
9 1HB ARG 2 2HB ARG 2 4.664 1.741 3.017
10 2HB ARG 2 1HB ARG 2 4.279 1.388 1.340
11 1HG ARG 2 2HG ARG 2 6.551 0.777 1.757
12 2HG ARG 2 1HG ARG 2 6.531 2.193 0.702
13 1HD ARG 2 2HD ARG 2 6.971 3.635 2.620
14 2HD ARG 2 1HD ARG 2 6.973 2.232 3.685
15 HE ARG 2 HE ARG 2 9.145 1.909 3.102
16 1HH1 ARG 2 1HH1 ARG 2 7.584 3.648 0.515
17 2HH1 ARG 2 2HH1 ARG 2 9.025 3.778 -0.437
18 1HH2 ARG 2 1HH2 ARG 2 11.044 2.080 1.856
19 2HH2 ARG 2 2HH2 ARG 2 10.990 2.886 0.325
20 H ARG 3 H ARG 3 3.435 2.365 -0.299
21 HA ARG 3 HA ARG 3 3.768 4.459 -2.162
22 1HB ARG 3 2HB ARG 3 5.628 3.498 -3.499
23 2HB ARG 3 1HB ARG 3 6.140 4.066 -1.915
24 1HG ARG 3 2HG ARG 3 6.072 1.763 -1.079
25 2HG ARG 3 1HG ARG 3 5.601 1.206 -2.686
26 1HD ARG 3 2HD ARG 3 7.692 2.036 -3.607
27 2HD ARG 3 1HD ARG 3 8.159 2.660 -2.027
28 HE ARG 3 HE ARG 3 7.635 -0.080 -1.781
29 1HH1 ARG 3 1HH1 ARG 3 9.938 2.063 -3.282
30 2HH1 ARG 3 2HH1 ARG 3 11.242 0.926 -3.206
31 1HH2 ARG 3 1HH2 ARG 3 9.347 -1.586 -1.677
32 2HH2 ARG 3 2HH2 ARG 3 10.905 -1.149 -2.295
33 H TRP 4 H TRP 4 1.886 2.365 -1.388
34 HA TRP 4 HA TRP 4 0.935 1.656 -3.921
35 1HB TRP 4 2HB TRP 4 1.113 -0.905 -3.517
36 2HB TRP 4 1HB TRP 4 2.457 -0.043 -4.243
37 HD1 TRP 4 HD TRP 4 2.867 0.852 -0.788
38 HE1 TRP 4 1HE TRP 4 4.459 -0.741 0.434
39 HE3 TRP 4 3HE TRP 4 2.854 -3.020 -4.117
40 HZ2 TRP 4 2HZ TRP 4 5.567 -3.313 0.054
41 HZ3 TRP 4 3HZ TRP 4 4.206 -5.015 -3.614
42 HH2 TRP 4 HH TRP 4 5.532 -5.157 -1.568
43 H GLN 5 H GLN 5 0.968 0.358 -0.601
44 HA GLN 5 HA GLN 5 -1.896 -0.040 -0.767
45 1HB GLN 5 2HB GLN 5 0.197 -0.814 1.228
46 2HB GLN 5 1HB GLN 5 -1.505 -0.859 1.662
47 1HG GLN 5 2HG GLN 5 -0.943 -3.037 0.980
48 2HG GLN 5 1HG GLN 5 -1.858 -2.329 -0.342
49 1HE2 GLN 5 1HE2 GLN 5 -1.122 -2.739 -2.247
50 2HE2 GLN 5 2HE2 GLN 5 0.528 -3.047 -2.666
51 H TRP 6 H TRP 6 -1.530 2.573 -1.013
52 HA TRP 6 HA TRP 6 -1.651 3.842 1.593
53 1HB TRP 6 2HB TRP 6 -2.469 5.680 -0.406
54 2HB TRP 6 1HB TRP 6 -0.930 5.625 0.444
55 HD1 TRP 6 HD TRP 6 1.146 5.251 -1.018
56 HE1 TRP 6 1HE TRP 6 1.572 4.536 -3.451
57 HE3 TRP 6 3HE TRP 6 -3.635 4.000 -2.360
58 HZ2 TRP 6 2HZ TRP 6 0.089 3.579 -5.648
59 HZ3 TRP 6 3HZ TRP 6 -4.041 3.199 -4.649
60 HH2 TRP 6 HH TRP 6 -2.217 2.991 -6.257
61 H ARG 7 H ARG 7 -3.760 3.151 -1.121
62 HA ARG 7 HA ARG 7 -6.110 3.729 0.560
63 1HB ARG 7 2HB ARG 7 -5.897 3.611 -2.461
64 2HB ARG 7 1HB ARG 7 -7.365 3.940 -1.555
65 1HG ARG 7 2HG ARG 7 -4.910 5.674 -1.437
66 2HG ARG 7 1HG ARG 7 -6.254 5.944 -2.546
67 1HD ARG 7 2HD ARG 7 -6.634 7.364 -0.697
68 2HD ARG 7 1HD ARG 7 -7.754 6.016 -0.515
69 HE ARG 7 HE ARG 7 -5.357 5.508 0.899
70 1HH1 ARG 7 1HH1 ARG 7 -8.255 7.439 1.030
71 2HH1 ARG 7 2HH1 ARG 7 -8.247 7.564 2.757
72 1HH2 ARG 7 1HH2 ARG 7 -5.340 5.668 3.173
73 2HH2 ARG 7 2HH2 ARG 7 -6.591 6.559 3.974
74 H MET 8 H MET 8 -4.609 1.555 -1.738
75 HA MET 8 HA MET 8 -6.548 -0.555 -1.214
76 1HB MET 8 2HB MET 8 -5.226 -1.791 -2.948
77 2HB MET 8 1HB MET 8 -5.945 -0.295 -3.520
78 1HG MET 8 2HG MET 8 -3.791 0.827 -3.283
79 2HG MET 8 1HG MET 8 -3.073 -0.674 -2.703
80 1HE MET 8 1HE MET 8 -4.469 -2.785 -4.339
81 2HE MET 8 2HE MET 8 -2.712 -2.906 -4.440
82 3HE MET 8 3HE MET 8 -3.684 -2.947 -5.910
83 H LYS 9 H LYS 9 -5.504 -0.181 1.086
84 HA LYS 9 HA LYS 9 -3.000 -1.328 1.683
85 1HB LYS 9 2HB LYS 9 -5.405 -0.863 3.447
86 2HB LYS 9 1HB LYS 9 -3.798 -1.278 4.024
87 1HG LYS 9 2HG LYS 9 -2.902 0.775 3.375
88 2HG LYS 9 1HG LYS 9 -4.281 1.154 2.346
89 1HD LYS 9 2HD LYS 9 -4.362 2.462 4.392
90 2HD LYS 9 1HD LYS 9 -5.705 1.319 4.347
91 1HE LYS 9 2HE LYS 9 -4.437 -0.202 5.805
92 2HE LYS 9 1HE LYS 9 -3.124 0.974 5.873
93 1HZ LYS 9 1HZ LYS 9 -5.826 1.825 6.641
94 2HZ LYS 9 2HZ LYS 9 -4.327 2.375 7.197
95 3HZ LYS 9 3HZ LYS 9 -4.931 0.889 7.731
96 H LYS 10 H LYS 10 -3.692 -3.286 0.168
97 HA LYS 10 HA LYS 10 -5.085 -5.355 1.643
98 1HB LYS 10 2HB LYS 10 -4.729 -6.721 -0.389
99 2HB LYS 10 1HB LYS 10 -5.530 -5.196 -0.738
100 1HG LYS 10 2HG LYS 10 -3.409 -4.261 -1.517
101 2HG LYS 10 1HG LYS 10 -2.611 -5.795 -1.173
102 1HD LYS 10 2HD LYS 10 -4.877 -5.398 -3.126
103 2HD LYS 10 1HD LYS 10 -3.173 -5.555 -3.556
104 1HE LYS 10 2HE LYS 10 -3.133 -7.799 -2.587
105 2HE LYS 10 1HE LYS 10 -4.831 -7.641 -2.140
106 1HZ LYS 10 1HZ LYS 10 -3.764 -7.600 -4.913
107 2HZ LYS 10 2HZ LYS 10 -5.394 -7.457 -4.482
108 3HZ LYS 10 3HZ LYS 10 -4.565 -8.900 -4.183
109 H LEU 11 H LEU 11 -1.855 -4.719 0.339
110 HA LEU 11 HA LEU 11 -0.757 -7.031 1.712
111 1HB LEU 11 2HB LEU 11 -0.042 -6.410 -0.593
112 2HB LEU 11 1HB LEU 11 0.654 -4.940 0.060
113 HG LEU 11 HG LEU 11 2.231 -6.271 1.395
114 1HD1 LEU 11 1HD1 LEU 11 0.467 -8.424 0.589
115 2HD1 LEU 11 2HD1 LEU 11 1.660 -8.365 1.887
116 3HD1 LEU 11 3HD1 LEU 11 2.159 -8.788 0.249
117 1HD2 LEU 11 1HD2 LEU 11 2.803 -7.527 -1.132
118 2HD2 LEU 11 2HD2 LEU 11 3.633 -6.197 -0.326
119 3HD2 LEU 11 3HD2 LEU 11 2.247 -5.870 -1.366
120 H GLY 12 H GLY 12 -1.481 -3.884 2.463
121 1HA GLY 12 2HA GLY 12 -1.040 -2.613 4.328
122 2HA GLY 12 1HA GLY 12 -0.131 -3.974 4.969
123 HA CYS 13 HA CYS 13 2.450 -1.626 1.041
124 1HB CYS 13 2HB CYS 13 2.990 0.524 1.833
125 2HB CYS 13 1HB CYS 13 1.282 0.314 2.184
126 1HN NH2 14 H CYS 13 3.835 -3.536 1.366
127 2HN NH2 14 2HN CYS 13 4.670 -3.801 2.857
Start of MODEL 10
1 1H CYS 1 1HT CYS 1 -0.429 5.449 3.439
2 2H CYS 1 2HT CYS 1 -0.348 4.325 2.179
3 3H CYS 1 3HT CYS 1 0.881 5.470 2.369
4 HA CYS 1 HA CYS 1 0.803 4.220 4.785
5 1HB CYS 1 2HB CYS 1 -0.698 2.558 3.636
6 2HB CYS 1 1HB CYS 1 0.647 2.163 2.573
7 H ARG 2 H ARG 2 2.060 3.914 1.478
8 HA ARG 2 HA ARG 2 4.681 4.697 2.316
9 1HB ARG 2 2HB ARG 2 4.748 2.346 3.002
10 2HB ARG 2 1HB ARG 2 4.290 1.850 1.378
11 1HG ARG 2 2HG ARG 2 6.371 2.758 0.500
12 2HG ARG 2 1HG ARG 2 6.829 3.286 2.120
13 1HD ARG 2 2HD ARG 2 6.811 0.965 2.884
14 2HD ARG 2 1HD ARG 2 6.334 0.433 1.273
15 HE ARG 2 HE ARG 2 8.699 1.913 1.053
16 1HH1 ARG 2 1HH1 ARG 2 7.579 -1.110 2.379
17 2HH1 ARG 2 2HH1 ARG 2 9.105 -1.906 2.187
18 1HH2 ARG 2 1HH2 ARG 2 10.709 0.872 0.797
19 2HH2 ARG 2 2HH2 ARG 2 10.885 -0.779 1.292
20 H ARG 3 H ARG 3 3.249 2.722 -0.319
21 HA ARG 3 HA ARG 3 3.327 4.788 -2.219
22 1HB ARG 3 2HB ARG 3 5.218 3.854 -3.633
23 2HB ARG 3 1HB ARG 3 5.675 4.736 -2.184
24 1HG ARG 3 2HG ARG 3 7.093 2.868 -2.276
25 2HG ARG 3 1HG ARG 3 5.895 2.503 -1.034
26 1HD ARG 3 2HD ARG 3 4.641 1.156 -2.658
27 2HD ARG 3 1HD ARG 3 5.860 1.509 -3.882
28 HE ARG 3 HE ARG 3 6.000 -0.506 -1.921
29 1HH1 ARG 3 1HH1 ARG 3 7.999 1.911 -3.449
30 2HH1 ARG 3 2HH1 ARG 3 9.469 1.025 -3.212
31 1HH2 ARG 3 1HH2 ARG 3 7.930 -1.673 -1.610
32 2HH2 ARG 3 2HH2 ARG 3 9.429 -1.011 -2.170
33 H TRP 4 H TRP 4 1.649 2.586 -1.360
34 HA TRP 4 HA TRP 4 0.639 1.805 -3.840
35 1HB TRP 4 2HB TRP 4 0.989 -0.729 -3.500
36 2HB TRP 4 1HB TRP 4 2.274 0.219 -4.229
37 HD1 TRP 4 HD TRP 4 2.687 1.055 -0.765
38 HE1 TRP 4 1HE TRP 4 4.388 -0.472 0.393
39 HE3 TRP 4 3HE TRP 4 2.827 -2.731 -4.183
40 HZ2 TRP 4 2HZ TRP 4 5.629 -2.969 -0.067
41 HZ3 TRP 4 3HZ TRP 4 4.299 -4.660 -3.752
42 HH2 TRP 4 HH TRP 4 5.667 -4.775 -1.733
43 H GLN 5 H GLN 5 0.903 0.499 -0.532
44 HA GLN 5 HA GLN 5 -1.923 -0.120 -0.585
45 1HB GLN 5 2HB GLN 5 0.293 -0.666 1.349
46 2HB GLN 5 1HB GLN 5 -1.382 -0.823 1.861
47 1HG GLN 5 2HG GLN 5 -0.715 -2.972 1.206
48 2HG GLN 5 1HG GLN 5 -1.704 -2.353 -0.110
49 1HE2 GLN 5 1HE2 GLN 5 -0.989 -2.726 -2.029
50 2HE2 GLN 5 2HE2 GLN 5 0.666 -2.949 -2.483
51 H TRP 6 H TRP 6 -1.744 2.534 -0.901
52 HA TRP 6 HA TRP 6 -1.950 3.847 1.676
53 1HB TRP 6 2HB TRP 6 -2.983 5.550 -0.337
54 2HB TRP 6 1HB TRP 6 -1.428 5.661 0.474
55 HD1 TRP 6 HD TRP 6 0.648 5.428 -1.016
56 HE1 TRP 6 1HE TRP 6 1.082 4.738 -3.456
57 HE3 TRP 6 3HE TRP 6 -4.039 3.783 -2.249
58 HZ2 TRP 6 2HZ TRP 6 -0.366 3.648 -5.618
59 HZ3 TRP 6 3HZ TRP 6 -4.428 2.939 -4.527
60 HH2 TRP 6 HH TRP 6 -2.628 2.872 -6.175
61 H ARG 7 H ARG 7 -4.054 3.078 -1.036
62 HA ARG 7 HA ARG 7 -6.415 3.440 0.675
63 1HB ARG 7 2HB ARG 7 -6.199 3.210 -2.339
64 2HB ARG 7 1HB ARG 7 -7.689 3.445 -1.442
65 1HG ARG 7 2HG ARG 7 -5.404 5.395 -1.379
66 2HG ARG 7 1HG ARG 7 -6.736 5.491 -2.529
67 1HD ARG 7 2HD ARG 7 -7.348 6.939 -0.795
68 2HD ARG 7 1HD ARG 7 -8.271 5.470 -0.490
69 HE ARG 7 HE ARG 7 -7.200 5.309 1.508
70 1HH1 ARG 7 1HH1 ARG 7 -5.210 7.198 -0.642
71 2HH1 ARG 7 2HH1 ARG 7 -4.014 7.544 0.563
72 1HH2 ARG 7 1HH2 ARG 7 -5.633 5.770 3.102
73 2HH2 ARG 7 2HH2 ARG 7 -4.254 6.734 2.688
74 H MET 8 H MET 8 -4.883 1.328 -1.691
75 HA MET 8 HA MET 8 -6.591 -0.915 -0.996
76 1HB MET 8 2HB MET 8 -5.225 -2.101 -2.738
77 2HB MET 8 1HB MET 8 -6.111 -0.704 -3.327
78 1HG MET 8 2HG MET 8 -4.067 0.623 -3.248
79 2HG MET 8 1HG MET 8 -3.182 -0.771 -2.632
80 1HE MET 8 1HE MET 8 -2.282 0.758 -5.730
81 2HE MET 8 2HE MET 8 -1.532 -0.822 -5.948
82 3HE MET 8 3HE MET 8 -1.574 -0.078 -4.349
83 H LYS 9 H LYS 9 -5.595 -0.530 1.258
84 HA LYS 9 HA LYS 9 -2.957 -1.390 1.802
85 1HB LYS 9 2HB LYS 9 -5.296 -1.379 3.706
86 2HB LYS 9 1HB LYS 9 -3.590 -1.314 4.122
87 1HG LYS 9 2HG LYS 9 -3.435 0.888 3.024
88 2HG LYS 9 1HG LYS 9 -5.168 0.821 2.702
89 1HD LYS 9 2HD LYS 9 -5.607 0.687 5.107
90 2HD LYS 9 1HD LYS 9 -3.871 0.754 5.424
91 1HE LYS 9 2HE LYS 9 -3.763 2.969 4.409
92 2HE LYS 9 1HE LYS 9 -5.491 2.902 4.058
93 1HZ LYS 9 1HZ LYS 9 -6.039 3.215 6.235
94 2HZ LYS 9 2HZ LYS 9 -4.590 4.088 6.193
95 3HZ LYS 9 3HZ LYS 9 -4.615 2.521 6.829
96 H LYS 10 H LYS 10 -3.433 -3.380 0.270
97 HA LYS 10 HA LYS 10 -4.648 -5.605 1.655
98 1HB LYS 10 2HB LYS 10 -4.033 -6.896 -0.370
99 2HB LYS 10 1HB LYS 10 -4.990 -5.467 -0.733
100 1HG LYS 10 2HG LYS 10 -2.904 -4.279 -1.344
101 2HG LYS 10 1HG LYS 10 -2.017 -5.782 -1.086
102 1HD LYS 10 2HD LYS 10 -4.273 -5.417 -3.057
103 2HD LYS 10 1HD LYS 10 -2.558 -5.376 -3.466
104 1HE LYS 10 2HE LYS 10 -2.315 -7.679 -2.678
105 2HE LYS 10 1HE LYS 10 -4.028 -7.718 -2.260
106 1HZ LYS 10 1HZ LYS 10 -3.251 -7.042 -5.009
107 2HZ LYS 10 2HZ LYS 10 -4.654 -7.800 -4.446
108 3HZ LYS 10 3HZ LYS 10 -3.203 -8.663 -4.523
109 H LEU 11 H LEU 11 -1.413 -4.699 0.504
110 HA LEU 11 HA LEU 11 -0.233 -6.896 2.012
111 1HB LEU 11 2HB LEU 11 0.522 -6.431 -0.298
112 2HB LEU 11 1HB LEU 11 1.079 -4.852 0.220
113 HG LEU 11 HG LEU 11 2.708 -5.935 1.729
114 1HD1 LEU 11 1HD1 LEU 11 2.161 -8.545 0.387
115 2HD1 LEU 11 2HD1 LEU 11 1.238 -8.079 1.816
116 3HD1 LEU 11 3HD1 LEU 11 2.994 -8.215 1.906
117 1HD2 LEU 11 1HD2 LEU 11 3.159 -7.172 -0.941
118 2HD2 LEU 11 2HD2 LEU 11 4.271 -6.272 0.088
119 3HD2 LEU 11 3HD2 LEU 11 3.030 -5.417 -0.825
120 H GLY 12 H GLY 12 -1.175 -3.791 2.606
121 1HA GLY 12 2HA GLY 12 -0.803 -2.364 4.367
122 2HA GLY 12 1HA GLY 12 0.123 -3.654 5.119
123 HA CYS 13 HA CYS 13 2.813 -1.519 1.146
124 1HB CYS 13 2HB CYS 13 3.179 0.711 1.743
125 2HB CYS 13 1HB CYS 13 1.490 0.442 2.140
126 1HN NH2 14 H CYS 13 3.545 -3.715 2.549
127 2HN NH2 14 2HN CYS 13 4.939 -3.419 3.528
Start of MODEL 11
1 1H CYS 1 1HT CYS 1 -0.685 4.686 3.161
2 2H CYS 1 2HT CYS 1 0.544 4.481 2.018
3 3H CYS 1 3HT CYS 1 0.671 5.700 3.182
4 HA CYS 1 HA CYS 1 0.869 4.105 4.939
5 1HB CYS 1 2HB CYS 1 -0.638 2.459 3.786
6 2HB CYS 1 1HB CYS 1 0.712 2.027 2.744
7 H ARG 2 H ARG 2 2.211 3.829 1.668
8 HA ARG 2 HA ARG 2 4.827 4.509 2.597
9 1HB ARG 2 2HB ARG 2 4.689 2.086 3.198
10 2HB ARG 2 1HB ARG 2 4.489 1.722 1.490
11 1HG ARG 2 2HG ARG 2 6.673 2.676 1.014
12 2HG ARG 2 1HG ARG 2 6.875 3.085 2.717
13 1HD ARG 2 2HD ARG 2 6.706 0.692 3.286
14 2HD ARG 2 1HD ARG 2 6.585 0.311 1.568
15 HE ARG 2 HE ARG 2 8.960 0.781 3.018
16 1HH1 ARG 2 1HH1 ARG 2 7.486 1.450 -0.068
17 2HH1 ARG 2 2HH1 ARG 2 8.997 1.608 -0.899
18 1HH2 ARG 2 1HH2 ARG 2 10.952 0.986 1.929
19 2HH2 ARG 2 2HH2 ARG 2 10.964 1.343 0.234
20 H ARG 3 H ARG 3 3.431 2.624 -0.120
21 HA ARG 3 HA ARG 3 3.616 4.732 -1.971
22 1HB ARG 3 2HB ARG 3 5.529 3.828 -3.343
23 2HB ARG 3 1HB ARG 3 5.975 4.592 -1.826
24 1HG ARG 3 2HG ARG 3 7.318 2.704 -1.915
25 2HG ARG 3 1HG ARG 3 5.995 2.224 -0.854
26 1HD ARG 3 2HD ARG 3 4.905 1.098 -2.737
27 2HD ARG 3 1HD ARG 3 6.237 1.574 -3.789
28 HE ARG 3 HE ARG 3 7.218 0.149 -1.554
29 1HH1 ARG 3 1HH1 ARG 3 5.481 -0.315 -4.539
30 2HH1 ARG 3 2HH1 ARG 3 6.012 -1.951 -4.743
31 1HH2 ARG 3 1HH2 ARG 3 7.925 -2.004 -1.817
32 2HH2 ARG 3 2HH2 ARG 3 7.402 -2.910 -3.197
33 H TRP 4 H TRP 4 1.884 2.525 -1.198
34 HA TRP 4 HA TRP 4 0.945 1.809 -3.736
35 1HB TRP 4 2HB TRP 4 1.227 -0.739 -3.392
36 2HB TRP 4 1HB TRP 4 2.556 0.186 -4.070
37 HD1 TRP 4 HD TRP 4 2.905 1.030 -0.615
38 HE1 TRP 4 1HE TRP 4 4.504 -0.550 0.616
39 HE3 TRP 4 3HE TRP 4 3.002 -2.809 -3.980
40 HZ2 TRP 4 2HZ TRP 4 5.658 -3.100 0.228
41 HZ3 TRP 4 3HZ TRP 4 4.378 -4.787 -3.476
42 HH2 TRP 4 HH TRP 4 5.677 -4.929 -1.412
43 H GLN 5 H GLN 5 1.044 0.476 -0.430
44 HA GLN 5 HA GLN 5 -1.798 -0.056 -0.593
45 1HB GLN 5 2HB GLN 5 0.329 -0.700 1.408
46 2HB GLN 5 1HB GLN 5 -1.365 -0.804 1.862
47 1HG GLN 5 2HG GLN 5 -0.757 -2.968 1.211
48 2HG GLN 5 1HG GLN 5 -1.667 -2.305 -0.136
49 1HE2 GLN 5 1HE2 GLN 5 -0.894 -2.802 -2.013
50 2HE2 GLN 5 2HE2 GLN 5 0.772 -3.041 -2.405
51 H TRP 6 H TRP 6 -1.474 2.605 -0.858
52 HA TRP 6 HA TRP 6 -1.746 3.887 1.726
53 1HB TRP 6 2HB TRP 6 -2.602 5.675 -0.290
54 2HB TRP 6 1HB TRP 6 -1.072 5.684 0.574
55 HD1 TRP 6 HD TRP 6 1.020 5.439 -0.877
56 HE1 TRP 6 1HE TRP 6 1.504 4.729 -3.302
57 HE3 TRP 6 3HE TRP 6 -3.667 3.906 -2.231
58 HZ2 TRP 6 2HZ TRP 6 0.090 3.668 -5.500
59 HZ3 TRP 6 3HZ TRP 6 -4.016 3.061 -4.516
60 HH2 TRP 6 HH TRP 6 -2.175 2.945 -6.116
61 H ARG 7 H ARG 7 -3.745 3.066 -1.027
62 HA ARG 7 HA ARG 7 -6.165 3.544 0.580
63 1HB ARG 7 2HB ARG 7 -5.862 3.436 -2.433
64 2HB ARG 7 1HB ARG 7 -7.362 3.717 -1.566
65 1HG ARG 7 2HG ARG 7 -4.967 5.532 -1.419
66 2HG ARG 7 1HG ARG 7 -6.321 5.760 -2.524
67 1HD ARG 7 2HD ARG 7 -6.748 7.161 -0.672
68 2HD ARG 7 1HD ARG 7 -7.816 5.772 -0.486
69 HE ARG 7 HE ARG 7 -5.403 5.333 0.911
70 1HH1 ARG 7 1HH1 ARG 7 -8.336 7.205 1.066
71 2HH1 ARG 7 2HH1 ARG 7 -8.311 7.342 2.792
72 1HH2 ARG 7 1HH2 ARG 7 -5.359 5.508 3.184
73 2HH2 ARG 7 2HH2 ARG 7 -6.617 6.378 3.996
74 H MET 8 H MET 8 -4.611 1.482 -1.807
75 HA MET 8 HA MET 8 -6.428 -0.725 -1.311
76 1HB MET 8 2HB MET 8 -4.942 -1.892 -2.989
77 2HB MET 8 1HB MET 8 -5.782 -0.470 -3.589
78 1HG MET 8 2HG MET 8 -3.742 0.846 -3.301
79 2HG MET 8 1HG MET 8 -2.906 -0.588 -2.707
80 1HE MET 8 1HE MET 8 -4.185 -2.873 -4.928
81 2HE MET 8 2HE MET 8 -2.688 -2.738 -4.004
82 3HE MET 8 3HE MET 8 -2.631 -2.868 -5.762
83 H LYS 9 H LYS 9 -5.530 -0.376 1.026
84 HA LYS 9 HA LYS 9 -2.982 -1.374 1.714
85 1HB LYS 9 2HB LYS 9 -5.437 -1.268 3.465
86 2HB LYS 9 1HB LYS 9 -3.761 -1.301 3.993
87 1HG LYS 9 2HG LYS 9 -3.397 0.898 2.995
88 2HG LYS 9 1HG LYS 9 -5.078 0.929 2.458
89 1HD LYS 9 2HD LYS 9 -5.819 0.796 4.792
90 2HD LYS 9 1HD LYS 9 -4.137 0.785 5.322
91 1HE LYS 9 2HE LYS 9 -3.806 2.997 4.354
92 2HE LYS 9 1HE LYS 9 -5.472 3.004 3.773
93 1HZ LYS 9 1HZ LYS 9 -4.930 2.623 6.641
94 2HZ LYS 9 2HZ LYS 9 -6.300 3.267 5.888
95 3HZ LYS 9 3HZ LYS 9 -4.881 4.181 5.983
96 H LYS 10 H LYS 10 -3.411 -3.333 0.146
97 HA LYS 10 HA LYS 10 -4.811 -5.516 1.426
98 1HB LYS 10 2HB LYS 10 -4.172 -6.815 -0.565
99 2HB LYS 10 1HB LYS 10 -4.984 -5.314 -0.989
100 1HG LYS 10 2HG LYS 10 -2.848 -4.286 -1.517
101 2HG LYS 10 1HG LYS 10 -2.010 -5.766 -1.050
102 1HD LYS 10 2HD LYS 10 -3.170 -6.982 -2.829
103 2HD LYS 10 1HD LYS 10 -4.008 -5.499 -3.294
104 1HE LYS 10 2HE LYS 10 -1.845 -4.447 -3.767
105 2HE LYS 10 1HE LYS 10 -1.028 -5.952 -3.349
106 1HZ LYS 10 1HZ LYS 10 -2.184 -5.200 -5.809
107 2HZ LYS 10 2HZ LYS 10 -2.970 -6.582 -5.230
108 3HZ LYS 10 3HZ LYS 10 -1.292 -6.589 -5.439
109 H LEU 11 H LEU 11 -1.494 -4.672 0.527
110 HA LEU 11 HA LEU 11 -0.467 -6.944 2.043
111 1HB LEU 11 2HB LEU 11 0.409 -6.490 -0.225
112 2HB LEU 11 1HB LEU 11 0.997 -4.936 0.332
113 HG LEU 11 HG LEU 11 2.511 -6.093 1.909
114 1HD1 LEU 11 1HD1 LEU 11 1.176 -8.497 0.745
115 2HD1 LEU 11 2HD1 LEU 11 1.582 -8.139 2.424
116 3HD1 LEU 11 3HD1 LEU 11 2.851 -8.599 1.288
117 1HD2 LEU 11 1HD2 LEU 11 2.811 -5.724 -0.789
118 2HD2 LEU 11 2HD2 LEU 11 3.262 -7.417 -0.580
119 3HD2 LEU 11 3HD2 LEU 11 4.097 -6.162 0.335
120 H GLY 12 H GLY 12 -1.253 -3.757 2.551
121 1HA GLY 12 2HA GLY 12 -0.936 -2.375 4.362
122 2HA GLY 12 1HA GLY 12 -0.072 -3.693 5.142
123 HA CYS 13 HA CYS 13 2.745 -1.563 1.245
124 1HB CYS 13 2HB CYS 13 3.231 0.614 1.948
125 2HB CYS 13 1HB CYS 13 1.524 0.415 2.302
126 1HN NH2 14 H CYS 13 3.929 -3.589 1.836
127 2HN NH2 14 2HN CYS 13 4.838 -3.687 3.305
Start of MODEL 12
1 1H CYS 1 1HT CYS 1 1.440 5.637 2.210
2 2H CYS 1 2HT CYS 1 0.039 5.372 3.122
3 3H CYS 1 3HT CYS 1 0.353 4.421 1.758
4 HA CYS 1 HA CYS 1 1.466 4.261 4.443
5 1HB CYS 1 2HB CYS 1 -0.212 2.686 3.420
6 2HB CYS 1 1HB CYS 1 1.035 2.189 2.283
7 H ARG 2 H ARG 2 2.474 3.791 1.063
8 HA ARG 2 HA ARG 2 5.180 4.456 1.699
9 1HB ARG 2 2HB ARG 2 5.148 2.120 2.471
10 2HB ARG 2 1HB ARG 2 4.608 1.603 0.881
11 1HG ARG 2 2HG ARG 2 6.691 2.377 -0.102
12 2HG ARG 2 1HG ARG 2 7.231 2.958 1.474
13 1HD ARG 2 2HD ARG 2 6.628 0.094 0.741
14 2HD ARG 2 1HD ARG 2 8.232 0.797 0.945
15 HE ARG 2 HE ARG 2 6.586 -0.214 2.991
16 1HH1 ARG 2 1HH1 ARG 2 8.716 2.463 2.317
17 2HH1 ARG 2 2HH1 ARG 2 9.120 2.725 3.980
18 1HH2 ARG 2 1HH2 ARG 2 7.113 0.129 5.183
19 2HH2 ARG 2 2HH2 ARG 2 8.209 1.400 5.608
20 H ARG 3 H ARG 3 3.478 2.473 -0.767
21 HA ARG 3 HA ARG 3 3.557 4.474 -2.738
22 1HB ARG 3 2HB ARG 3 5.292 3.374 -4.233
23 2HB ARG 3 1HB ARG 3 5.892 4.276 -2.851
24 1HG ARG 3 2HG ARG 3 7.189 2.332 -2.932
25 2HG ARG 3 1HG ARG 3 6.025 2.058 -1.635
26 1HD ARG 3 2HD ARG 3 4.643 0.733 -3.154
27 2HD ARG 3 1HD ARG 3 5.793 1.021 -4.459
28 HE ARG 3 HE ARG 3 5.979 -0.977 -2.485
29 1HH1 ARG 3 1HH1 ARG 3 7.971 1.344 -4.166
30 2HH1 ARG 3 2HH1 ARG 3 9.420 0.411 -3.996
31 1HH2 ARG 3 1HH2 ARG 3 7.885 -2.206 -2.262
32 2HH2 ARG 3 2HH2 ARG 3 9.372 -1.604 -2.917
33 H TRP 4 H TRP 4 1.797 2.408 -1.711
34 HA TRP 4 HA TRP 4 0.586 1.633 -4.099
35 1HB TRP 4 2HB TRP 4 0.802 -0.909 -3.727
36 2HB TRP 4 1HB TRP 4 2.095 -0.057 -4.552
37 HD1 TRP 4 HD TRP 4 2.802 0.815 -1.150
38 HE1 TRP 4 1HE TRP 4 4.463 -0.809 -0.068
39 HE3 TRP 4 3HE TRP 4 2.430 -3.046 -4.463
40 HZ2 TRP 4 2HZ TRP 4 5.485 -3.404 -0.542
41 HZ3 TRP 4 3HZ TRP 4 3.780 -5.069 -4.082
42 HH2 TRP 4 HH TRP 4 5.273 -5.244 -2.158
43 H GLN 5 H GLN 5 0.983 0.432 -0.769
44 HA GLN 5 HA GLN 5 -1.868 -0.051 -0.629
45 1HB GLN 5 2HB GLN 5 0.441 -0.656 1.171
46 2HB GLN 5 1HB GLN 5 -1.199 -0.703 1.803
47 1HG GLN 5 2HG GLN 5 -0.708 -2.905 1.186
48 2HG GLN 5 1HG GLN 5 -1.736 -2.276 -0.092
49 1HE2 GLN 5 1HE2 GLN 5 -1.169 -2.870 -2.008
50 2HE2 GLN 5 2HE2 GLN 5 0.441 -3.169 -2.557
51 H TRP 6 H TRP 6 -1.632 2.567 -1.039
52 HA TRP 6 HA TRP 6 -1.615 3.957 1.517
53 1HB TRP 6 2HB TRP 6 -2.614 5.675 -0.505
54 2HB TRP 6 1HB TRP 6 -1.033 5.714 0.263
55 HD1 TRP 6 HD TRP 6 0.985 5.321 -1.274
56 HE1 TRP 6 1HE TRP 6 1.309 4.545 -3.704
57 HE3 TRP 6 3HE TRP 6 -3.824 3.932 -2.338
58 HZ2 TRP 6 2HZ TRP 6 -0.260 3.492 -5.798
59 HZ3 TRP 6 3HZ TRP 6 -4.327 3.057 -4.582
60 HH2 TRP 6 HH TRP 6 -2.581 2.841 -6.274
61 H ARG 7 H ARG 7 -3.876 3.214 -1.076
62 HA ARG 7 HA ARG 7 -6.131 3.772 0.731
63 1HB ARG 7 2HB ARG 7 -6.092 3.548 -2.290
64 2HB ARG 7 1HB ARG 7 -7.501 3.915 -1.311
65 1HG ARG 7 2HG ARG 7 -5.044 5.646 -1.404
66 2HG ARG 7 1HG ARG 7 -6.447 5.875 -2.447
67 1HD ARG 7 2HD ARG 7 -6.732 7.369 -0.645
68 2HD ARG 7 1HD ARG 7 -7.829 6.025 -0.334
69 HE ARG 7 HE ARG 7 -5.369 5.563 0.961
70 1HH1 ARG 7 1HH1 ARG 7 -8.198 7.588 1.155
71 2HH1 ARG 7 2HH1 ARG 7 -8.063 7.836 2.864
72 1HH2 ARG 7 1HH2 ARG 7 -5.183 5.883 3.213
73 2HH2 ARG 7 2HH2 ARG 7 -6.347 6.869 4.034
74 H MET 8 H MET 8 -4.832 1.563 -1.678
75 HA MET 8 HA MET 8 -6.673 -0.553 -0.908
76 1HB MET 8 2HB MET 8 -5.498 -1.826 -2.722
77 2HB MET 8 1HB MET 8 -6.303 -0.363 -3.265
78 1HG MET 8 2HG MET 8 -4.175 0.802 -3.319
79 2HG MET 8 1HG MET 8 -3.357 -0.636 -2.708
80 1HE MET 8 1HE MET 8 -1.596 -0.863 -4.984
81 2HE MET 8 2HE MET 8 -2.259 0.771 -4.978
82 3HE MET 8 3HE MET 8 -2.246 -0.170 -6.470
83 H LYS 9 H LYS 9 -5.473 -0.185 1.285
84 HA LYS 9 HA LYS 9 -2.888 -1.229 1.673
85 1HB LYS 9 2HB LYS 9 -5.117 -1.088 3.704
86 2HB LYS 9 1HB LYS 9 -3.391 -1.153 4.033
87 1HG LYS 9 2HG LYS 9 -3.139 1.040 2.911
88 2HG LYS 9 1HG LYS 9 -4.891 1.104 2.724
89 1HD LYS 9 2HD LYS 9 -3.432 0.894 5.356
90 2HD LYS 9 1HD LYS 9 -4.095 2.382 4.678
91 1HE LYS 9 2HE LYS 9 -6.337 1.410 4.734
92 2HE LYS 9 1HE LYS 9 -5.678 -0.085 5.396
93 1HZ LYS 9 1HZ LYS 9 -5.616 2.581 6.704
94 2HZ LYS 9 2HZ LYS 9 -4.929 1.171 7.336
95 3HZ LYS 9 3HZ LYS 9 -6.604 1.279 7.141
96 H LYS 10 H LYS 10 -3.368 -3.173 0.220
97 HA LYS 10 HA LYS 10 -4.752 -5.361 1.497
98 1HB LYS 10 2HB LYS 10 -4.002 -6.638 -0.521
99 2HB LYS 10 1HB LYS 10 -4.949 -5.205 -0.890
100 1HG LYS 10 2HG LYS 10 -2.862 -3.982 -1.367
101 2HG LYS 10 1HG LYS 10 -1.955 -5.467 -1.077
102 1HD LYS 10 2HD LYS 10 -4.097 -5.135 -3.175
103 2HD LYS 10 1HD LYS 10 -2.363 -5.027 -3.478
104 1HE LYS 10 2HE LYS 10 -3.809 -7.438 -2.389
105 2HE LYS 10 1HE LYS 10 -3.267 -7.236 -4.054
106 1HZ LYS 10 1HZ LYS 10 -1.513 -8.378 -3.221
107 2HZ LYS 10 2HZ LYS 10 -1.713 -7.794 -1.647
108 3HZ LYS 10 3HZ LYS 10 -0.989 -6.818 -2.823
109 H LEU 11 H LEU 11 -1.420 -4.608 0.537
110 HA LEU 11 HA LEU 11 -0.436 -6.836 2.152
111 1HB LEU 11 2HB LEU 11 0.415 -6.606 -0.136
112 2HB LEU 11 1HB LEU 11 1.007 -5.000 0.241
113 HG LEU 11 HG LEU 11 2.553 -5.997 1.907
114 1HD1 LEU 11 1HD1 LEU 11 0.975 -8.333 1.358
115 2HD1 LEU 11 2HD1 LEU 11 2.177 -8.064 2.621
116 3HD1 LEU 11 3HD1 LEU 11 2.679 -8.653 1.036
117 1HD2 LEU 11 1HD2 LEU 11 2.957 -7.297 -0.769
118 2HD2 LEU 11 2HD2 LEU 11 4.167 -6.643 0.335
119 3HD2 LEU 11 3HD2 LEU 11 3.097 -5.552 -0.546
120 H GLY 12 H GLY 12 -1.099 -3.600 2.491
121 1HA GLY 12 2HA GLY 12 -0.667 -2.127 4.211
122 2HA GLY 12 1HA GLY 12 0.194 -3.425 5.030
123 HA CYS 13 HA CYS 13 2.921 -1.709 0.884
124 1HB CYS 13 2HB CYS 13 3.461 0.510 1.349
125 2HB CYS 13 1HB CYS 13 1.778 0.389 1.836
126 1HN NH2 14 H CYS 13 3.614 -3.887 2.215
127 2HN NH2 14 2HN CYS 13 5.022 -3.666 3.196
Start of MODEL 13
1 1H CYS 1 1HT CYS 1 0.228 4.319 1.474
2 2H CYS 1 2HT CYS 1 1.083 5.690 1.969
3 3H CYS 1 3HT CYS 1 -0.346 5.255 2.761
4 HA CYS 1 HA CYS 1 1.183 4.473 4.241
5 1HB CYS 1 2HB CYS 1 -0.349 2.688 3.360
6 2HB CYS 1 1HB CYS 1 0.942 2.183 2.279
7 H ARG 2 H ARG 2 2.309 3.901 0.927
8 HA ARG 2 HA ARG 2 4.955 4.722 1.595
9 1HB ARG 2 2HB ARG 2 5.071 2.473 2.520
10 2HB ARG 2 1HB ARG 2 4.517 1.794 0.996
11 1HG ARG 2 2HG ARG 2 6.539 2.505 -0.106
12 2HG ARG 2 1HG ARG 2 7.085 3.320 1.361
13 1HD ARG 2 2HD ARG 2 6.588 0.359 1.076
14 2HD ARG 2 1HD ARG 2 8.171 1.138 1.060
15 HE ARG 2 HE ARG 2 6.881 1.886 3.413
16 1HH1 ARG 2 1HH1 ARG 2 8.130 -1.005 1.924
17 2HH1 ARG 2 2HH1 ARG 2 8.506 -1.773 3.431
18 1HH2 ARG 2 1HH2 ARG 2 7.372 0.884 5.401
19 2HH2 ARG 2 2HH2 ARG 2 8.073 -0.700 5.407
20 H ARG 3 H ARG 3 3.318 2.589 -0.791
21 HA ARG 3 HA ARG 3 3.525 4.461 -2.900
22 1HB ARG 3 2HB ARG 3 5.276 3.328 -4.248
23 2HB ARG 3 1HB ARG 3 5.906 4.053 -2.773
24 1HG ARG 3 2HG ARG 3 5.839 1.844 -1.690
25 2HG ARG 3 1HG ARG 3 5.294 1.139 -3.212
26 1HD ARG 3 2HD ARG 3 7.358 1.882 -4.295
27 2HD ARG 3 1HD ARG 3 7.903 2.590 -2.775
28 HE ARG 3 HE ARG 3 7.327 -0.104 -2.317
29 1HH1 ARG 3 1HH1 ARG 3 9.602 1.834 -4.113
30 2HH1 ARG 3 2HH1 ARG 3 10.867 0.653 -4.031
31 1HH2 ARG 3 1HH2 ARG 3 8.989 -1.661 -2.203
32 2HH2 ARG 3 2HH2 ARG 3 10.519 -1.333 -2.947
33 H TRP 4 H TRP 4 1.737 2.399 -1.730
34 HA TRP 4 HA TRP 4 0.535 1.503 -4.090
35 1HB TRP 4 2HB TRP 4 0.818 -1.024 -3.541
36 2HB TRP 4 1HB TRP 4 2.043 -0.189 -4.481
37 HD1 TRP 4 HD TRP 4 2.765 0.907 -1.111
38 HE1 TRP 4 1HE TRP 4 4.568 -0.547 -0.013
39 HE3 TRP 4 3HE TRP 4 2.625 -3.085 -4.283
40 HZ2 TRP 4 2HZ TRP 4 5.780 -3.066 -0.425
41 HZ3 TRP 4 3HZ TRP 4 4.139 -4.982 -3.866
42 HH2 TRP 4 HH TRP 4 5.681 -4.972 -1.971
43 H GLN 5 H GLN 5 0.961 0.331 -0.754
44 HA GLN 5 HA GLN 5 -1.877 -0.157 -0.572
45 1HB GLN 5 2HB GLN 5 0.444 -0.616 1.265
46 2HB GLN 5 1HB GLN 5 -1.207 -0.730 1.863
47 1HG GLN 5 2HG GLN 5 -0.541 -2.920 1.299
48 2HG GLN 5 1HG GLN 5 -1.640 -2.383 0.037
49 1HE2 GLN 5 1HE2 GLN 5 -1.089 -2.839 -1.909
50 2HE2 GLN 5 2HE2 GLN 5 0.521 -3.089 -2.489
51 H TRP 6 H TRP 6 -1.636 2.458 -1.091
52 HA TRP 6 HA TRP 6 -1.613 3.966 1.380
53 1HB TRP 6 2HB TRP 6 -2.701 5.583 -0.656
54 2HB TRP 6 1HB TRP 6 -1.062 5.624 -0.022
55 HD1 TRP 6 HD TRP 6 0.806 5.175 -1.714
56 HE1 TRP 6 1HE TRP 6 0.933 4.262 -4.114
57 HE3 TRP 6 3HE TRP 6 -4.068 3.709 -2.304
58 HZ2 TRP 6 2HZ TRP 6 -0.790 3.088 -6.008
59 HZ3 TRP 6 3HZ TRP 6 -4.740 2.708 -4.445
60 HH2 TRP 6 HH TRP 6 -3.136 2.402 -6.258
61 H ARG 7 H ARG 7 -3.927 2.949 -1.045
62 HA ARG 7 HA ARG 7 -6.140 3.591 0.788
63 1HB ARG 7 2HB ARG 7 -6.176 3.215 -2.218
64 2HB ARG 7 1HB ARG 7 -7.574 3.578 -1.221
65 1HG ARG 7 2HG ARG 7 -5.182 5.384 -1.475
66 2HG ARG 7 1HG ARG 7 -6.637 5.524 -2.460
67 1HD ARG 7 2HD ARG 7 -6.903 7.079 -0.711
68 2HD ARG 7 1HD ARG 7 -7.924 5.708 -0.285
69 HE ARG 7 HE ARG 7 -5.385 5.402 0.896
70 1HH1 ARG 7 1HH1 ARG 7 -8.280 7.323 1.158
71 2HH1 ARG 7 2HH1 ARG 7 -8.067 7.646 2.846
72 1HH2 ARG 7 1HH2 ARG 7 -5.099 5.822 3.122
73 2HH2 ARG 7 2HH2 ARG 7 -6.262 6.792 3.962
74 H MET 8 H MET 8 -4.659 1.258 -1.329
75 HA MET 8 HA MET 8 -6.483 -0.856 -0.463
76 1HB MET 8 2HB MET 8 -5.326 -2.205 -2.213
77 2HB MET 8 1HB MET 8 -6.128 -0.777 -2.842
78 1HG MET 8 2HG MET 8 -3.992 0.383 -2.953
79 2HG MET 8 1HG MET 8 -3.181 -1.031 -2.284
80 1HE MET 8 1HE MET 8 -1.768 -0.224 -4.141
81 2HE MET 8 2HE MET 8 -2.280 -0.060 -5.820
82 3HE MET 8 3HE MET 8 -1.550 -1.566 -5.263
83 H LYS 9 H LYS 9 -5.339 -0.355 1.687
84 HA LYS 9 HA LYS 9 -2.691 -1.263 2.108
85 1HB LYS 9 2HB LYS 9 -4.872 -0.941 4.167
86 2HB LYS 9 1HB LYS 9 -3.142 -1.004 4.469
87 1HG LYS 9 2HG LYS 9 -3.594 1.245 4.606
88 2HG LYS 9 1HG LYS 9 -3.032 1.074 2.949
89 1HD LYS 9 2HD LYS 9 -4.996 2.496 3.036
90 2HD LYS 9 1HD LYS 9 -5.357 0.999 2.175
91 1HE LYS 9 2HE LYS 9 -7.165 1.629 3.705
92 2HE LYS 9 1HE LYS 9 -6.430 0.092 4.157
93 1HZ LYS 9 1HZ LYS 9 -5.216 2.371 5.426
94 2HZ LYS 9 2HZ LYS 9 -5.748 0.913 6.100
95 3HZ LYS 9 3HZ LYS 9 -6.847 2.170 5.830
96 H LYS 10 H LYS 10 -3.539 -3.340 0.765
97 HA LYS 10 HA LYS 10 -4.594 -5.380 2.509
98 1HB LYS 10 2HB LYS 10 -4.379 -6.857 0.541
99 2HB LYS 10 1HB LYS 10 -5.301 -5.402 0.192
100 1HG LYS 10 2HG LYS 10 -3.337 -4.410 -0.866
101 2HG LYS 10 1HG LYS 10 -2.414 -5.873 -0.517
102 1HD LYS 10 2HD LYS 10 -4.009 -7.167 -1.883
103 2HD LYS 10 1HD LYS 10 -4.856 -5.669 -2.276
104 1HE LYS 10 2HE LYS 10 -1.966 -6.248 -2.887
105 2HE LYS 10 1HE LYS 10 -3.288 -6.365 -4.048
106 1HZ LYS 10 1HZ LYS 10 -1.804 -4.101 -3.322
107 2HZ LYS 10 2HZ LYS 10 -3.405 -3.845 -2.841
108 3HZ LYS 10 3HZ LYS 10 -3.055 -4.214 -4.454
109 H LEU 11 H LEU 11 -1.557 -4.679 0.834
110 HA LEU 11 HA LEU 11 -0.206 -6.850 2.201
111 1HB LEU 11 2HB LEU 11 0.269 -6.346 -0.176
112 2HB LEU 11 1HB LEU 11 0.898 -4.782 0.305
113 HG LEU 11 HG LEU 11 2.687 -5.894 1.579
114 1HD1 LEU 11 1HD1 LEU 11 1.389 -8.399 0.533
115 2HD1 LEU 11 2HD1 LEU 11 1.671 -7.945 2.214
116 3HD1 LEU 11 3HD1 LEU 11 3.034 -8.343 1.166
117 1HD2 LEU 11 1HD2 LEU 11 2.942 -7.221 -1.033
118 2HD2 LEU 11 2HD2 LEU 11 4.004 -6.058 -0.238
119 3HD2 LEU 11 3HD2 LEU 11 2.566 -5.499 -1.093
120 H GLY 12 H GLY 12 -0.912 -3.613 2.730
121 1HA GLY 12 2HA GLY 12 -0.387 -2.237 4.506
122 2HA GLY 12 1HA GLY 12 0.602 -3.535 5.157
123 HA CYS 13 HA CYS 13 2.848 -1.474 0.888
124 1HB CYS 13 2HB CYS 13 3.336 0.759 1.414
125 2HB CYS 13 1HB CYS 13 1.675 0.530 1.938
126 1HN NH2 14 H CYS 13 4.132 -3.453 1.520
127 2HN NH2 14 2HN CYS 13 5.267 -3.373 2.822
Start of MODEL 14
1 1H CYS 1 1HT CYS 1 -0.613 4.869 2.815
2 2H CYS 1 2HT CYS 1 0.383 4.326 1.561
3 3H CYS 1 3HT CYS 1 0.811 5.704 2.444
4 HA CYS 1 HA CYS 1 1.015 4.334 4.455
5 1HB CYS 1 2HB CYS 1 -0.551 2.587 3.571
6 2HB CYS 1 1HB CYS 1 0.728 2.052 2.490
7 H ARG 2 H ARG 2 2.161 3.756 1.153
8 HA ARG 2 HA ARG 2 4.828 4.485 1.880
9 1HB ARG 2 2HB ARG 2 4.891 2.199 2.688
10 2HB ARG 2 1HB ARG 2 4.285 1.606 1.148
11 1HG ARG 2 2HG ARG 2 6.317 2.311 0.038
12 2HG ARG 2 1HG ARG 2 6.920 3.007 1.544
13 1HD ARG 2 2HD ARG 2 6.278 0.093 1.107
14 2HD ARG 2 1HD ARG 2 7.894 0.793 1.059
15 HE ARG 2 HE ARG 2 6.484 0.012 3.367
16 1HH1 ARG 2 1HH1 ARG 2 8.531 2.581 2.192
17 2HH1 ARG 2 2HH1 ARG 2 9.133 2.991 3.764
18 1HH2 ARG 2 1HH2 ARG 2 7.275 0.547 5.436
19 2HH2 ARG 2 2HH2 ARG 2 8.420 1.834 5.605
20 H ARG 3 H ARG 3 3.194 2.492 -0.626
21 HA ARG 3 HA ARG 3 3.419 4.470 -2.633
22 1HB ARG 3 2HB ARG 3 5.188 3.448 -4.017
23 2HB ARG 3 1HB ARG 3 5.806 4.034 -2.477
24 1HG ARG 3 2HG ARG 3 5.731 1.758 -1.585
25 2HG ARG 3 1HG ARG 3 5.139 1.174 -3.141
26 1HD ARG 3 2HD ARG 3 7.197 1.958 -4.213
27 2HD ARG 3 1HD ARG 3 7.790 2.528 -2.653
28 HE ARG 3 HE ARG 3 7.164 -0.175 -2.384
29 1HH1 ARG 3 1HH1 ARG 3 9.420 1.828 -4.132
30 2HH1 ARG 3 2HH1 ARG 3 10.651 0.612 -4.188
31 1HH2 ARG 3 1HH2 ARG 3 8.779 -1.780 -2.457
32 2HH2 ARG 3 2HH2 ARG 3 10.287 -1.438 -3.238
33 H TRP 4 H TRP 4 1.607 2.371 -1.602
34 HA TRP 4 HA TRP 4 0.467 1.574 -4.030
35 1HB TRP 4 2HB TRP 4 0.722 -0.967 -3.590
36 2HB TRP 4 1HB TRP 4 2.003 -0.104 -4.421
37 HD1 TRP 4 HD TRP 4 2.604 0.858 -1.009
38 HE1 TRP 4 1HE TRP 4 4.304 -0.683 0.134
39 HE3 TRP 4 3HE TRP 4 2.479 -3.054 -4.284
40 HZ2 TRP 4 2HZ TRP 4 5.449 -3.232 -0.284
41 HZ3 TRP 4 3HZ TRP 4 3.908 -5.011 -3.843
42 HH2 TRP 4 HH TRP 4 5.360 -5.097 -1.881
43 H GLN 5 H GLN 5 0.793 0.324 -0.707
44 HA GLN 5 HA GLN 5 -2.048 -0.161 -0.634
45 1HB GLN 5 2HB GLN 5 0.214 -0.728 1.238
46 2HB GLN 5 1HB GLN 5 -1.447 -0.803 1.812
47 1HG GLN 5 2HG GLN 5 -0.897 -2.995 1.213
48 2HG GLN 5 1HG GLN 5 -1.891 -2.381 -0.100
49 1HE2 GLN 5 1HE2 GLN 5 -1.249 -2.921 -2.004
50 2HE2 GLN 5 2HE2 GLN 5 0.383 -3.209 -2.495
51 H TRP 6 H TRP 6 -1.859 2.438 -1.061
52 HA TRP 6 HA TRP 6 -1.897 3.851 1.477
53 1HB TRP 6 2HB TRP 6 -2.904 5.520 -0.590
54 2HB TRP 6 1HB TRP 6 -1.337 5.609 0.202
55 HD1 TRP 6 HD TRP 6 0.732 5.162 -1.273
56 HE1 TRP 6 1HE TRP 6 1.104 4.370 -3.691
57 HE3 TRP 6 3HE TRP 6 -4.067 3.798 -2.447
58 HZ2 TRP 6 2HZ TRP 6 -0.423 3.313 -5.815
59 HZ3 TRP 6 3HZ TRP 6 -4.518 2.911 -4.694
60 HH2 TRP 6 HH TRP 6 -2.734 2.672 -6.341
61 H ARG 7 H ARG 7 -4.109 3.097 -1.159
62 HA ARG 7 HA ARG 7 -6.403 3.597 0.610
63 1HB ARG 7 2HB ARG 7 -6.252 3.340 -2.406
64 2HB ARG 7 1HB ARG 7 -7.739 3.564 -1.495
65 1HG ARG 7 2HG ARG 7 -5.477 5.531 -1.360
66 2HG ARG 7 1HG ARG 7 -6.724 5.609 -2.605
67 1HD ARG 7 2HD ARG 7 -7.403 7.073 -0.870
68 2HD ARG 7 1HD ARG 7 -8.422 5.642 -0.751
69 HE ARG 7 HE ARG 7 -7.614 5.350 1.353
70 1HH1 ARG 7 1HH1 ARG 7 -5.259 7.168 -0.463
71 2HH1 ARG 7 2HH1 ARG 7 -4.201 7.393 0.890
72 1HH2 ARG 7 1HH2 ARG 7 -6.227 5.649 3.140
73 2HH2 ARG 7 2HH2 ARG 7 -4.751 6.530 2.935
74 H MET 8 H MET 8 -4.934 1.353 -1.655
75 HA MET 8 HA MET 8 -6.746 -0.798 -0.906
76 1HB MET 8 2HB MET 8 -5.522 -2.075 -2.656
77 2HB MET 8 1HB MET 8 -6.263 -0.603 -3.258
78 1HG MET 8 2HG MET 8 -4.105 0.519 -3.193
79 2HG MET 8 1HG MET 8 -3.357 -0.944 -2.552
80 1HE MET 8 1HE MET 8 -1.915 0.112 -4.378
81 2HE MET 8 2HE MET 8 -2.219 0.027 -6.112
82 3HE MET 8 3HE MET 8 -1.532 -1.361 -5.269
83 H LYS 9 H LYS 9 -5.610 -0.303 1.316
84 HA LYS 9 HA LYS 9 -3.030 -1.337 1.810
85 1HB LYS 9 2HB LYS 9 -5.352 -0.828 3.669
86 2HB LYS 9 1HB LYS 9 -3.729 -1.243 4.202
87 1HG LYS 9 2HG LYS 9 -2.835 0.775 3.403
88 2HG LYS 9 1HG LYS 9 -4.290 1.146 2.481
89 1HD LYS 9 2HD LYS 9 -4.187 2.503 4.493
90 2HD LYS 9 1HD LYS 9 -5.541 1.377 4.589
91 1HE LYS 9 2HE LYS 9 -4.343 1.493 6.712
92 2HE LYS 9 1HE LYS 9 -4.207 -0.113 5.994
93 1HZ LYS 9 1HZ LYS 9 -2.081 1.641 5.207
94 2HZ LYS 9 2HZ LYS 9 -2.008 0.078 5.848
95 3HZ LYS 9 3HZ LYS 9 -2.141 1.409 6.882
96 H LYS 10 H LYS 10 -3.672 -3.384 0.437
97 HA LYS 10 HA LYS 10 -4.977 -5.426 2.021
98 1HB LYS 10 2HB LYS 10 -4.629 -6.879 0.075
99 2HB LYS 10 1HB LYS 10 -5.412 -5.372 -0.381
100 1HG LYS 10 2HG LYS 10 -3.329 -4.508 -1.245
101 2HG LYS 10 1HG LYS 10 -2.475 -5.952 -0.700
102 1HD LYS 10 2HD LYS 10 -3.907 -7.310 -2.196
103 2HD LYS 10 1HD LYS 10 -4.645 -5.821 -2.791
104 1HE LYS 10 2HE LYS 10 -1.715 -6.507 -2.953
105 2HE LYS 10 1HE LYS 10 -2.867 -6.654 -4.280
106 1HZ LYS 10 1HZ LYS 10 -1.820 -4.210 -3.005
107 2HZ LYS 10 2HZ LYS 10 -3.292 -4.177 -3.837
108 3HZ LYS 10 3HZ LYS 10 -1.872 -4.614 -4.647
109 H LEU 11 H LEU 11 -1.776 -4.734 0.693
110 HA LEU 11 HA LEU 11 -0.600 -6.939 2.177
111 1HB LEU 11 2HB LEU 11 0.097 -6.518 -0.147
112 2HB LEU 11 1HB LEU 11 0.674 -4.931 0.322
113 HG LEU 11 HG LEU 11 2.346 -5.993 1.800
114 1HD1 LEU 11 1HD1 LEU 11 2.078 -8.099 2.429
115 2HD1 LEU 11 2HD1 LEU 11 2.421 -8.606 0.776
116 3HD1 LEU 11 3HD1 LEU 11 0.758 -8.315 1.280
117 1HD2 LEU 11 1HD2 LEU 11 3.851 -6.281 0.119
118 2HD2 LEU 11 2HD2 LEU 11 2.542 -5.549 -0.810
119 3HD2 LEU 11 3HD2 LEU 11 2.766 -7.299 -0.829
120 H GLY 12 H GLY 12 -1.305 -3.701 2.641
121 1HA GLY 12 2HA GLY 12 -0.872 -2.307 4.428
122 2HA GLY 12 1HA GLY 12 0.054 -3.611 5.158
123 HA CYS 13 HA CYS 13 2.523 -1.552 0.997
124 1HB CYS 13 2HB CYS 13 3.076 0.636 1.608
125 2HB CYS 13 1HB CYS 13 1.406 0.456 2.121
126 1HN NH2 14 H CYS 13 3.868 -3.490 1.413
127 2HN NH2 14 2HN CYS 13 4.777 -3.652 2.874
Start of MODEL 15
1 1H CYS 1 1HT CYS 1 0.025 4.333 2.164
2 2H CYS 1 2HT CYS 1 1.190 5.519 2.480
3 3H CYS 1 3HT CYS 1 -0.201 5.424 3.438
4 HA CYS 1 HA CYS 1 1.081 4.295 4.849
5 1HB CYS 1 2HB CYS 1 -0.511 2.661 3.761
6 2HB CYS 1 1HB CYS 1 0.828 2.134 2.749
7 H ARG 2 H ARG 2 2.305 3.953 1.548
8 HA ARG 2 HA ARG 2 4.967 4.553 2.375
9 1HB ARG 2 2HB ARG 2 4.982 2.227 3.052
10 2HB ARG 2 1HB ARG 2 4.381 1.729 1.477
11 1HG ARG 2 2HG ARG 2 6.453 2.545 0.443
12 2HG ARG 2 1HG ARG 2 7.056 2.987 2.041
13 1HD ARG 2 2HD ARG 2 6.952 0.662 2.746
14 2HD ARG 2 1HD ARG 2 6.282 0.202 1.180
15 HE ARG 2 HE ARG 2 8.728 1.514 0.772
16 1HH1 ARG 2 1HH1 ARG 2 7.482 -1.469 2.074
17 2HH1 ARG 2 2HH1 ARG 2 8.911 -2.375 1.705
18 1HH2 ARG 2 1HH2 ARG 2 10.611 0.327 0.281
19 2HH2 ARG 2 2HH2 ARG 2 10.689 -1.354 0.686
20 H ARG 3 H ARG 3 3.401 2.692 -0.265
21 HA ARG 3 HA ARG 3 3.655 4.759 -2.175
22 1HB ARG 3 2HB ARG 3 5.466 3.779 -3.559
23 2HB ARG 3 1HB ARG 3 6.036 4.359 -1.997
24 1HG ARG 3 2HG ARG 3 5.980 2.067 -1.137
25 2HG ARG 3 1HG ARG 3 5.448 1.495 -2.717
26 1HD ARG 3 2HD ARG 3 7.518 2.316 -3.717
27 2HD ARG 3 1HD ARG 3 8.048 2.911 -2.144
28 HE ARG 3 HE ARG 3 7.474 0.180 -1.912
29 1HH1 ARG 3 1HH1 ARG 3 9.776 2.289 -3.464
30 2HH1 ARG 3 2HH1 ARG 3 11.052 1.118 -3.449
31 1HH2 ARG 3 1HH2 ARG 3 9.150 -1.367 -1.890
32 2HH2 ARG 3 2HH2 ARG 3 10.696 -0.959 -2.557
33 H TRP 4 H TRP 4 1.833 2.613 -1.282
34 HA TRP 4 HA TRP 4 0.759 1.903 -3.763
35 1HB TRP 4 2HB TRP 4 1.027 -0.651 -3.429
36 2HB TRP 4 1HB TRP 4 2.322 0.258 -4.191
37 HD1 TRP 4 HD TRP 4 2.841 1.080 -0.733
38 HE1 TRP 4 1HE TRP 4 4.521 -0.500 0.387
39 HE3 TRP 4 3HE TRP 4 2.794 -2.704 -4.154
40 HZ2 TRP 4 2HZ TRP 4 5.683 -3.029 -0.105
41 HZ3 TRP 4 3HZ TRP 4 4.218 -4.673 -3.761
42 HH2 TRP 4 HH TRP 4 5.629 -4.832 -1.773
43 H GLN 5 H GLN 5 1.024 0.636 -0.447
44 HA GLN 5 HA GLN 5 -1.812 0.065 -0.471
45 1HB GLN 5 2HB GLN 5 0.422 -0.538 1.422
46 2HB GLN 5 1HB GLN 5 -1.246 -0.651 1.967
47 1HG GLN 5 2HG GLN 5 -0.650 -2.818 1.301
48 2HG GLN 5 1HG GLN 5 -1.643 -2.177 0.005
49 1HE2 GLN 5 1HE2 GLN 5 -0.983 -2.658 -1.916
50 2HE2 GLN 5 2HE2 GLN 5 0.654 -2.910 -2.399
51 H TRP 6 H TRP 6 -1.454 2.748 -0.764
52 HA TRP 6 HA TRP 6 -1.713 4.002 1.837
53 1HB TRP 6 2HB TRP 6 -2.499 5.851 -0.137
54 2HB TRP 6 1HB TRP 6 -0.955 5.782 0.701
55 HD1 TRP 6 HD TRP 6 1.082 5.584 -0.821
56 HE1 TRP 6 1HE TRP 6 1.508 4.876 -3.256
57 HE3 TRP 6 3HE TRP 6 -3.631 4.010 -2.064
58 HZ2 TRP 6 2HZ TRP 6 0.052 3.802 -5.416
59 HZ3 TRP 6 3HZ TRP 6 -4.025 3.162 -4.338
60 HH2 TRP 6 HH TRP 6 -2.221 3.058 -5.977
61 H ARG 7 H ARG 7 -3.665 2.986 -0.836
62 HA ARG 7 HA ARG 7 -6.094 3.550 0.728
63 1HB ARG 7 2HB ARG 7 -5.894 3.399 -2.290
64 2HB ARG 7 1HB ARG 7 -7.317 3.823 -1.350
65 1HG ARG 7 2HG ARG 7 -4.797 5.434 -1.682
66 2HG ARG 7 1HG ARG 7 -6.413 5.824 -2.267
67 1HD ARG 7 2HD ARG 7 -5.428 5.777 0.575
68 2HD ARG 7 1HD ARG 7 -6.040 7.155 -0.339
69 HE ARG 7 HE ARG 7 -7.569 5.365 1.191
70 1HH1 ARG 7 1HH1 ARG 7 -7.648 7.010 -1.885
71 2HH1 ARG 7 2HH1 ARG 7 -9.377 7.028 -1.974
72 1HH2 ARG 7 1HH2 ARG 7 -9.844 5.388 1.077
73 2HH2 ARG 7 2HH2 ARG 7 -10.625 6.106 -0.292
74 H MET 8 H MET 8 -4.400 1.492 -1.531
75 HA MET 8 HA MET 8 -6.222 -0.743 -1.154
76 1HB MET 8 2HB MET 8 -3.677 -0.434 -2.762
77 2HB MET 8 1HB MET 8 -4.643 -1.901 -2.715
78 1HG MET 8 2HG MET 8 -5.628 0.770 -3.671
79 2HG MET 8 1HG MET 8 -5.037 -0.523 -4.713
80 1HE MET 8 1HE MET 8 -6.975 -3.087 -4.990
81 2HE MET 8 2HE MET 8 -7.340 -3.351 -3.285
82 3HE MET 8 3HE MET 8 -5.705 -2.907 -3.779
83 H LYS 9 H LYS 9 -5.387 -0.239 1.260
84 HA LYS 9 HA LYS 9 -2.867 -1.278 2.013
85 1HB LYS 9 2HB LYS 9 -5.356 -0.816 3.659
86 2HB LYS 9 1HB LYS 9 -3.763 -1.165 4.314
87 1HG LYS 9 2HG LYS 9 -2.891 0.881 3.618
88 2HG LYS 9 1HG LYS 9 -4.235 1.184 2.521
89 1HD LYS 9 2HD LYS 9 -4.464 2.580 4.479
90 2HD LYS 9 1HD LYS 9 -5.736 1.356 4.492
91 1HE LYS 9 2HE LYS 9 -4.769 1.621 6.711
92 2HE LYS 9 1HE LYS 9 -4.425 0.016 6.067
93 1HZ LYS 9 1HZ LYS 9 -2.501 1.091 7.154
94 2HZ LYS 9 2HZ LYS 9 -2.524 2.293 5.964
95 3HZ LYS 9 3HZ LYS 9 -2.209 0.688 5.536
96 H LYS 10 H LYS 10 -3.610 -3.268 0.464
97 HA LYS 10 HA LYS 10 -4.897 -5.358 1.985
98 1HB LYS 10 2HB LYS 10 -4.488 -6.749 -0.020
99 2HB LYS 10 1HB LYS 10 -5.338 -5.257 -0.401
100 1HG LYS 10 2HG LYS 10 -3.287 -4.263 -1.217
101 2HG LYS 10 1HG LYS 10 -2.386 -5.711 -0.769
102 1HD LYS 10 2HD LYS 10 -3.765 -7.018 -2.343
103 2HD LYS 10 1HD LYS 10 -4.583 -5.530 -2.828
104 1HE LYS 10 2HE LYS 10 -2.474 -4.602 -3.601
105 2HE LYS 10 1HE LYS 10 -1.625 -6.050 -3.062
106 1HZ LYS 10 1HZ LYS 10 -2.430 -7.277 -4.788
107 2HZ LYS 10 2HZ LYS 10 -2.368 -5.764 -5.540
108 3HZ LYS 10 3HZ LYS 10 -3.842 -6.357 -4.956
109 H LEU 11 H LEU 11 -1.694 -4.638 0.669
110 HA LEU 11 HA LEU 11 -0.504 -6.893 2.036
111 1HB LEU 11 2HB LEU 11 0.240 -6.262 -0.227
112 2HB LEU 11 1HB LEU 11 0.777 -4.713 0.395
113 HG LEU 11 HG LEU 11 2.422 -5.882 1.829
114 1HD1 LEU 11 1HD1 LEU 11 1.442 -8.332 0.375
115 2HD1 LEU 11 2HD1 LEU 11 1.322 -8.007 2.104
116 3HD1 LEU 11 3HD1 LEU 11 2.902 -8.257 1.361
117 1HD2 LEU 11 1HD2 LEU 11 3.960 -5.850 0.190
118 2HD2 LEU 11 2HD2 LEU 11 2.621 -5.260 -0.795
119 3HD2 LEU 11 3HD2 LEU 11 3.052 -6.969 -0.827
120 H GLY 12 H GLY 12 -1.088 -3.592 2.569
121 1HA GLY 12 2HA GLY 12 -0.783 -2.350 4.505
122 2HA GLY 12 1HA GLY 12 0.110 -3.700 5.192
123 HA CYS 13 HA CYS 13 2.723 -1.402 1.252
124 1HB CYS 13 2HB CYS 13 3.260 0.757 2.010
125 2HB CYS 13 1HB CYS 13 1.554 0.553 2.370
126 1HN NH2 14 H CYS 13 4.079 -3.327 1.625
127 2HN NH2 14 2HN CYS 13 4.944 -3.548 3.106
Start of MODEL 16
1 1H CYS 1 1HT CYS 1 0.079 4.257 2.068
2 2H CYS 1 2HT CYS 1 0.648 5.594 2.935
3 3H CYS 1 3HT CYS 1 -0.795 4.839 3.396
4 HA CYS 1 HA CYS 1 0.737 4.067 4.938
5 1HB CYS 1 2HB CYS 1 -0.658 2.337 3.773
6 2HB CYS 1 1HB CYS 1 0.709 2.013 2.715
7 H ARG 2 H ARG 2 2.081 3.922 1.662
8 HA ARG 2 HA ARG 2 4.642 4.782 2.574
9 1HB ARG 2 2HB ARG 2 4.833 2.434 3.214
10 2HB ARG 2 1HB ARG 2 4.400 1.937 1.584
11 1HG ARG 2 2HG ARG 2 6.436 3.014 0.730
12 2HG ARG 2 1HG ARG 2 6.875 3.452 2.381
13 1HD ARG 2 2HD ARG 2 6.953 1.089 2.993
14 2HD ARG 2 1HD ARG 2 6.493 0.643 1.350
15 HE ARG 2 HE ARG 2 8.795 2.235 1.233
16 1HH1 ARG 2 1HH1 ARG 2 7.800 -0.925 2.322
17 2HH1 ARG 2 2HH1 ARG 2 9.357 -1.640 2.073
18 1HH2 ARG 2 1HH2 ARG 2 10.845 1.299 0.903
19 2HH2 ARG 2 2HH2 ARG 2 11.088 -0.377 1.267
20 H ARG 3 H ARG 3 3.358 2.802 -0.135
21 HA ARG 3 HA ARG 3 3.406 4.912 -1.998
22 1HB ARG 3 2HB ARG 3 5.367 4.139 -3.365
23 2HB ARG 3 1HB ARG 3 5.780 4.897 -1.835
24 1HG ARG 3 2HG ARG 3 7.211 3.086 -1.919
25 2HG ARG 3 1HG ARG 3 5.887 2.488 -0.921
26 1HD ARG 3 2HD ARG 3 4.918 1.387 -2.888
27 2HD ARG 3 1HD ARG 3 6.259 1.974 -3.870
28 HE ARG 3 HE ARG 3 7.249 0.510 -1.669
29 1HH1 ARG 3 1HH1 ARG 3 5.590 0.073 -4.702
30 2HH1 ARG 3 2HH1 ARG 3 6.190 -1.533 -4.947
31 1HH2 ARG 3 1HH2 ARG 3 8.046 -1.605 -1.983
32 2HH2 ARG 3 2HH2 ARG 3 7.584 -2.488 -3.400
33 H TRP 4 H TRP 4 1.838 2.569 -1.193
34 HA TRP 4 HA TRP 4 0.944 1.773 -3.734
35 1HB TRP 4 2HB TRP 4 1.410 -0.746 -3.340
36 2HB TRP 4 1HB TRP 4 2.663 0.263 -4.044
37 HD1 TRP 4 HD TRP 4 3.018 1.246 -0.650
38 HE1 TRP 4 1HE TRP 4 4.720 -0.187 0.621
39 HE3 TRP 4 3HE TRP 4 3.248 -2.742 -3.827
40 HZ2 TRP 4 2HZ TRP 4 5.997 -2.688 0.331
41 HZ3 TRP 4 3HZ TRP 4 4.737 -4.620 -3.259
42 HH2 TRP 4 HH TRP 4 6.081 -4.593 -1.220
43 H GLN 5 H GLN 5 1.115 0.624 -0.373
44 HA GLN 5 HA GLN 5 -1.683 -0.153 -0.553
45 1HB GLN 5 2HB GLN 5 0.503 -0.668 1.414
46 2HB GLN 5 1HB GLN 5 -1.173 -0.842 1.918
47 1HG GLN 5 2HG GLN 5 -0.430 -2.982 1.256
48 2HG GLN 5 1HG GLN 5 -1.489 -2.389 -0.012
49 1HE2 GLN 5 1HE2 GLN 5 -0.862 -2.769 -1.953
50 2HE2 GLN 5 2HE2 GLN 5 0.775 -2.944 -2.484
51 H TRP 6 H TRP 6 -1.396 2.575 -0.785
52 HA TRP 6 HA TRP 6 -1.795 3.820 1.785
53 1HB TRP 6 2HB TRP 6 -2.782 5.518 -0.269
54 2HB TRP 6 1HB TRP 6 -1.283 5.673 0.638
55 HD1 TRP 6 HD TRP 6 0.873 5.562 -0.742
56 HE1 TRP 6 1HE TRP 6 1.480 4.878 -3.147
57 HE3 TRP 6 3HE TRP 6 -3.644 3.666 -2.214
58 HZ2 TRP 6 2HZ TRP 6 0.215 3.696 -5.375
59 HZ3 TRP 6 3HZ TRP 6 -3.860 2.782 -4.501
60 HH2 TRP 6 HH TRP 6 -1.970 2.796 -6.047
61 H ARG 7 H ARG 7 -3.753 2.957 -0.994
62 HA ARG 7 HA ARG 7 -6.205 3.306 0.587
63 1HB ARG 7 2HB ARG 7 -5.777 3.077 -2.403
64 2HB ARG 7 1HB ARG 7 -7.351 3.171 -1.632
65 1HG ARG 7 2HG ARG 7 -5.269 5.310 -1.320
66 2HG ARG 7 1HG ARG 7 -6.446 5.304 -2.632
67 1HD ARG 7 2HD ARG 7 -7.362 6.684 -0.951
68 2HD ARG 7 1HD ARG 7 -8.236 5.157 -0.852
69 HE ARG 7 HE ARG 7 -7.482 4.957 1.282
70 1HH1 ARG 7 1HH1 ARG 7 -5.286 7.041 -0.448
71 2HH1 ARG 7 2HH1 ARG 7 -4.319 7.391 0.946
72 1HH2 ARG 7 1HH2 ARG 7 -6.219 5.418 3.120
73 2HH2 ARG 7 2HH2 ARG 7 -4.849 6.469 2.974
74 H MET 8 H MET 8 -4.488 1.182 -1.625
75 HA MET 8 HA MET 8 -6.184 -1.099 -1.070
76 1HB MET 8 2HB MET 8 -3.678 -0.749 -2.726
77 2HB MET 8 1HB MET 8 -4.530 -2.275 -2.565
78 1HG MET 8 2HG MET 8 -6.502 -1.307 -3.582
79 2HG MET 8 1HG MET 8 -5.696 0.256 -3.697
80 1HE MET 8 1HE MET 8 -3.190 0.048 -6.335
81 2HE MET 8 2HE MET 8 -2.534 -0.972 -5.055
82 3HE MET 8 3HE MET 8 -3.438 0.485 -4.644
83 H LYS 9 H LYS 9 -5.480 -0.610 1.313
84 HA LYS 9 HA LYS 9 -2.897 -1.412 2.155
85 1HB LYS 9 2HB LYS 9 -5.403 -1.337 3.829
86 2HB LYS 9 1HB LYS 9 -3.742 -1.216 4.391
87 1HG LYS 9 2HG LYS 9 -3.528 0.928 3.176
88 2HG LYS 9 1HG LYS 9 -5.233 0.809 2.737
89 1HD LYS 9 2HD LYS 9 -5.804 0.733 5.147
90 2HD LYS 9 1HD LYS 9 -4.098 0.978 5.526
91 1HE LYS 9 2HE LYS 9 -5.295 3.080 5.660
92 2HE LYS 9 1HE LYS 9 -4.154 3.115 4.316
93 1HZ LYS 9 1HZ LYS 9 -6.262 2.295 3.011
94 2HZ LYS 9 2HZ LYS 9 -5.998 3.939 3.302
95 3HZ LYS 9 3HZ LYS 9 -7.080 3.074 4.271
96 H LYS 10 H LYS 10 -3.606 -3.466 0.541
97 HA LYS 10 HA LYS 10 -4.678 -5.624 2.125
98 1HB LYS 10 2HB LYS 10 -4.332 -6.995 0.116
99 2HB LYS 10 1HB LYS 10 -5.225 -5.526 -0.251
100 1HG LYS 10 2HG LYS 10 -3.193 -4.502 -1.128
101 2HG LYS 10 1HG LYS 10 -2.289 -5.969 -0.749
102 1HD LYS 10 2HD LYS 10 -3.794 -7.228 -2.265
103 2HD LYS 10 1HD LYS 10 -4.567 -5.704 -2.705
104 1HE LYS 10 2HE LYS 10 -2.463 -4.856 -3.564
105 2HE LYS 10 1HE LYS 10 -1.643 -6.333 -3.058
106 1HZ LYS 10 1HZ LYS 10 -2.040 -6.749 -5.263
107 2HZ LYS 10 2HZ LYS 10 -3.513 -5.918 -5.287
108 3HZ LYS 10 3HZ LYS 10 -3.417 -7.448 -4.570
109 H LEU 11 H LEU 11 -1.580 -4.752 0.646
110 HA LEU 11 HA LEU 11 -0.225 -6.935 1.974
111 1HB LEU 11 2HB LEU 11 0.362 -6.250 -0.338
112 2HB LEU 11 1HB LEU 11 0.918 -4.711 0.291
113 HG LEU 11 HG LEU 11 2.652 -5.886 1.600
114 1HD1 LEU 11 1HD1 LEU 11 2.095 -8.025 2.067
115 2HD1 LEU 11 2HD1 LEU 11 2.975 -8.340 0.572
116 3HD1 LEU 11 3HD1 LEU 11 1.215 -8.242 0.554
117 1HD2 LEU 11 1HD2 LEU 11 2.613 -5.349 -1.107
118 2HD2 LEU 11 2HD2 LEU 11 3.248 -6.991 -1.016
119 3HD2 LEU 11 3HD2 LEU 11 4.041 -5.689 -0.130
120 H GLY 12 H GLY 12 -1.002 -3.704 2.576
121 1HA GLY 12 2HA GLY 12 -0.651 -2.408 4.451
122 2HA GLY 12 1HA GLY 12 0.275 -3.733 5.140
123 HA CYS 13 HA CYS 13 2.904 -1.480 1.192
124 1HB CYS 13 2HB CYS 13 3.339 0.723 1.885
125 2HB CYS 13 1HB CYS 13 1.638 0.466 2.238
126 1HN NH2 14 H CYS 13 4.219 -3.424 1.735
127 2HN NH2 14 2HN CYS 13 5.132 -3.503 3.202
Start of MODEL 17
1 1H CYS 1 1HT CYS 1 0.157 3.843 1.559
2 2H CYS 1 2HT CYS 1 0.773 5.416 1.484
3 3H CYS 1 3HT CYS 1 -0.576 5.081 2.449
4 HA CYS 1 HA CYS 1 1.021 5.121 4.043
5 1HB CYS 1 2HB CYS 1 0.027 3.014 4.342
6 2HB CYS 1 1HB CYS 1 0.809 2.342 2.914
7 H ARG 2 H ARG 2 2.386 3.408 1.231
8 HA ARG 2 HA ARG 2 4.938 4.736 1.781
9 1HB ARG 2 2HB ARG 2 5.115 2.525 2.785
10 2HB ARG 2 1HB ARG 2 4.604 1.775 1.279
11 1HG ARG 2 2HG ARG 2 6.622 2.561 0.180
12 2HG ARG 2 1HG ARG 2 7.127 3.369 1.664
13 1HD ARG 2 2HD ARG 2 7.202 1.208 2.811
14 2HD ARG 2 1HD ARG 2 6.700 0.403 1.325
15 HE ARG 2 HE ARG 2 8.882 0.426 0.697
16 1HH1 ARG 2 1HH1 ARG 2 8.373 3.093 2.888
17 2HH1 ARG 2 2HH1 ARG 2 10.026 3.607 2.846
18 1HH2 ARG 2 1HH2 ARG 2 11.056 1.097 0.642
19 2HH2 ARG 2 2HH2 ARG 2 11.550 2.474 1.569
20 H ARG 3 H ARG 3 3.402 2.463 -0.543
21 HA ARG 3 HA ARG 3 3.645 4.281 -2.717
22 1HB ARG 3 2HB ARG 3 5.408 3.044 -3.979
23 2HB ARG 3 1HB ARG 3 6.009 3.874 -2.548
24 1HG ARG 3 2HG ARG 3 6.006 1.792 -1.307
25 2HG ARG 3 1HG ARG 3 5.340 0.943 -2.702
26 1HD ARG 3 2HD ARG 3 7.342 1.442 -3.985
27 2HD ARG 3 1HD ARG 3 8.002 2.356 -2.627
28 HE ARG 3 HE ARG 3 7.416 -0.207 -1.710
29 1HH1 ARG 3 1HH1 ARG 3 9.563 1.331 -3.985
30 2HH1 ARG 3 2HH1 ARG 3 10.803 0.133 -3.824
31 1HH2 ARG 3 1HH2 ARG 3 9.044 -1.790 -1.494
32 2HH2 ARG 3 2HH2 ARG 3 10.507 -1.643 -2.408
33 H TRP 4 H TRP 4 1.790 2.295 -1.538
34 HA TRP 4 HA TRP 4 0.686 1.318 -3.913
35 1HB TRP 4 2HB TRP 4 0.923 -1.190 -3.243
36 2HB TRP 4 1HB TRP 4 2.190 -0.401 -4.167
37 HD1 TRP 4 HD TRP 4 2.697 0.793 -0.762
38 HE1 TRP 4 1HE TRP 4 4.472 -0.599 0.456
39 HE3 TRP 4 3HE TRP 4 2.867 -3.223 -3.904
40 HZ2 TRP 4 2HZ TRP 4 5.779 -3.081 0.139
41 HZ3 TRP 4 3HZ TRP 4 4.409 -5.070 -3.379
42 HH2 TRP 4 HH TRP 4 5.832 -5.001 -1.394
43 H GLN 5 H GLN 5 0.942 0.246 -0.519
44 HA GLN 5 HA GLN 5 -1.914 -0.188 -0.471
45 1HB GLN 5 2HB GLN 5 0.297 -0.735 1.473
46 2HB GLN 5 1HB GLN 5 -1.390 -0.854 1.957
47 1HG GLN 5 2HG GLN 5 -0.709 -3.028 1.363
48 2HG GLN 5 1HG GLN 5 -1.711 -2.437 0.052
49 1HE2 GLN 5 1HE2 GLN 5 -1.011 -2.808 -1.892
50 2HE2 GLN 5 2HE2 GLN 5 0.635 -3.054 -2.353
51 H TRP 6 H TRP 6 -1.629 2.417 -0.918
52 HA TRP 6 HA TRP 6 -1.737 3.864 1.602
53 1HB TRP 6 2HB TRP 6 -2.632 5.530 -0.510
54 2HB TRP 6 1HB TRP 6 -1.082 5.580 0.321
55 HD1 TRP 6 HD TRP 6 0.996 5.104 -1.112
56 HE1 TRP 6 1HE TRP 6 1.409 4.240 -3.501
57 HE3 TRP 6 3HE TRP 6 -3.783 3.734 -2.323
58 HZ2 TRP 6 2HZ TRP 6 -0.089 3.126 -5.616
59 HZ3 TRP 6 3HZ TRP 6 -4.206 2.778 -4.551
60 HH2 TRP 6 HH TRP 6 -2.395 2.479 -6.162
61 H ARG 7 H ARG 7 -3.842 2.919 -1.036
62 HA ARG 7 HA ARG 7 -6.207 3.514 0.618
63 1HB ARG 7 2HB ARG 7 -6.015 3.228 -2.394
64 2HB ARG 7 1HB ARG 7 -7.477 3.586 -1.490
65 1HG ARG 7 2HG ARG 7 -5.057 5.371 -1.518
66 2HG ARG 7 1HG ARG 7 -6.420 5.542 -2.623
67 1HD ARG 7 2HD ARG 7 -6.816 7.069 -0.872
68 2HD ARG 7 1HD ARG 7 -7.890 5.706 -0.571
69 HE ARG 7 HE ARG 7 -5.480 5.327 0.829
70 1HH1 ARG 7 1HH1 ARG 7 -8.327 7.331 0.854
71 2HH1 ARG 7 2HH1 ARG 7 -8.268 7.618 2.561
72 1HH2 ARG 7 1HH2 ARG 7 -5.392 5.696 3.077
73 2HH2 ARG 7 2HH2 ARG 7 -6.598 6.690 3.825
74 H MET 8 H MET 8 -4.701 1.301 -1.656
75 HA MET 8 HA MET 8 -6.527 -0.866 -0.992
76 1HB MET 8 2HB MET 8 -5.180 -2.122 -2.693
77 2HB MET 8 1HB MET 8 -5.955 -0.675 -3.319
78 1HG MET 8 2HG MET 8 -3.880 0.530 -3.246
79 2HG MET 8 1HG MET 8 -3.079 -0.821 -2.447
80 1HE MET 8 1HE MET 8 -4.450 -0.664 -6.824
81 2HE MET 8 2HE MET 8 -4.961 0.398 -5.513
82 3HE MET 8 3HE MET 8 -5.614 -1.237 -5.630
83 H LYS 9 H LYS 9 -5.558 -0.505 1.300
84 HA LYS 9 HA LYS 9 -2.955 -1.493 1.851
85 1HB LYS 9 2HB LYS 9 -5.267 -1.264 3.774
86 2HB LYS 9 1HB LYS 9 -3.551 -1.269 4.164
87 1HG LYS 9 2HG LYS 9 -3.288 0.867 2.978
88 2HG LYS 9 1HG LYS 9 -5.016 0.871 2.635
89 1HD LYS 9 2HD LYS 9 -3.816 0.831 5.401
90 2HD LYS 9 1HD LYS 9 -4.399 2.278 4.578
91 1HE LYS 9 2HE LYS 9 -6.640 1.294 4.449
92 2HE LYS 9 1HE LYS 9 -6.052 -0.147 5.280
93 1HZ LYS 9 1HZ LYS 9 -7.041 1.146 6.931
94 2HZ LYS 9 2HZ LYS 9 -6.371 2.588 6.356
95 3HZ LYS 9 3HZ LYS 9 -5.387 1.446 7.122
96 H LYS 10 H LYS 10 -3.707 -3.468 0.338
97 HA LYS 10 HA LYS 10 -4.970 -5.580 1.839
98 1HB LYS 10 2HB LYS 10 -4.555 -6.944 -0.192
99 2HB LYS 10 1HB LYS 10 -5.451 -5.467 -0.520
100 1HG LYS 10 2HG LYS 10 -3.385 -4.406 -1.306
101 2HG LYS 10 1HG LYS 10 -2.515 -5.912 -1.013
102 1HD LYS 10 2HD LYS 10 -3.989 -7.053 -2.619
103 2HD LYS 10 1HD LYS 10 -4.807 -5.521 -2.935
104 1HE LYS 10 2HE LYS 10 -1.870 -6.023 -3.356
105 2HE LYS 10 1HE LYS 10 -3.088 -6.093 -4.630
106 1HZ LYS 10 1HZ LYS 10 -3.001 -3.901 -4.843
107 2HZ LYS 10 2HZ LYS 10 -1.704 -3.869 -3.759
108 3HZ LYS 10 3HZ LYS 10 -3.283 -3.658 -3.193
109 H LEU 11 H LEU 11 -1.754 -4.980 0.439
110 HA LEU 11 HA LEU 11 -0.617 -7.253 1.798
111 1HB LEU 11 2HB LEU 11 0.203 -6.566 -0.417
112 2HB LEU 11 1HB LEU 11 0.727 -5.035 0.259
113 HG LEU 11 HG LEU 11 2.333 -6.233 1.699
114 1HD1 LEU 11 1HD1 LEU 11 1.385 -8.666 0.196
115 2HD1 LEU 11 2HD1 LEU 11 1.193 -8.352 1.921
116 3HD1 LEU 11 3HD1 LEU 11 2.802 -8.605 1.243
117 1HD2 LEU 11 1HD2 LEU 11 3.576 -7.289 -0.451
118 2HD2 LEU 11 2HD2 LEU 11 3.537 -5.567 -0.081
119 3HD2 LEU 11 3HD2 LEU 11 2.395 -6.245 -1.241
120 H GLY 12 H GLY 12 -1.094 -3.931 2.367
121 1HA GLY 12 2HA GLY 12 -0.923 -2.825 4.407
122 2HA GLY 12 1HA GLY 12 0.013 -4.173 5.034
123 HA CYS 13 HA CYS 13 2.658 -1.485 1.352
124 1HB CYS 13 2HB CYS 13 3.078 0.644 2.436
125 2HB CYS 13 1HB CYS 13 1.352 0.355 2.315
126 1HN NH2 14 H CYS 13 3.938 -3.519 1.900
127 2HN NH2 14 2HN CYS 13 4.939 -3.549 3.310
Start of MODEL 18
1 1H CYS 1 1HT CYS 1 0.958 4.797 2.160
2 2H CYS 1 2HT CYS 1 0.486 5.591 3.576
3 3H CYS 1 3HT CYS 1 -0.484 4.364 2.931
4 HA CYS 1 HA CYS 1 1.103 3.906 4.939
5 1HB CYS 1 2HB CYS 1 -0.447 2.354 3.701
6 2HB CYS 1 1HB CYS 1 0.880 1.998 2.602
7 H ARG 2 H ARG 2 2.304 3.854 1.603
8 HA ARG 2 HA ARG 2 4.946 4.525 2.437
9 1HB ARG 2 2HB ARG 2 5.001 2.138 2.985
10 2HB ARG 2 1HB ARG 2 4.508 1.741 1.345
11 1HG ARG 2 2HG ARG 2 6.583 2.685 0.482
12 2HG ARG 2 1HG ARG 2 7.075 3.109 2.123
13 1HD ARG 2 2HD ARG 2 7.037 0.742 2.744
14 2HD ARG 2 1HD ARG 2 6.546 0.319 1.104
15 HE ARG 2 HE ARG 2 8.745 0.392 0.538
16 1HH1 ARG 2 1HH1 ARG 2 8.273 2.501 3.274
17 2HH1 ARG 2 2HH1 ARG 2 9.944 2.941 3.384
18 1HH2 ARG 2 1HH2 ARG 2 10.944 0.965 0.679
19 2HH2 ARG 2 2HH2 ARG 2 11.462 2.069 1.911
20 H ARG 3 H ARG 3 3.520 2.679 -0.286
21 HA ARG 3 HA ARG 3 3.530 4.842 -2.079
22 1HB ARG 3 2HB ARG 3 5.432 4.022 -3.550
23 2HB ARG 3 1HB ARG 3 5.880 4.844 -2.065
24 1HG ARG 3 2HG ARG 3 7.340 3.017 -2.251
25 2HG ARG 3 1HG ARG 3 6.159 2.560 -1.025
26 1HD ARG 3 2HD ARG 3 4.928 1.269 -2.714
27 2HD ARG 3 1HD ARG 3 6.137 1.710 -3.920
28 HE ARG 3 HE ARG 3 6.323 -0.398 -2.065
29 1HH1 ARG 3 1HH1 ARG 3 8.270 2.129 -3.480
30 2HH1 ARG 3 2HH1 ARG 3 9.759 1.270 -3.270
31 1HH2 ARG 3 1HH2 ARG 3 8.279 -1.530 -1.791
32 2HH2 ARG 3 2HH2 ARG 3 9.765 -0.808 -2.313
33 H TRP 4 H TRP 4 1.894 2.593 -1.325
34 HA TRP 4 HA TRP 4 0.929 1.858 -3.845
35 1HB TRP 4 2HB TRP 4 1.326 -0.678 -3.536
36 2HB TRP 4 1HB TRP 4 2.600 0.308 -4.232
37 HD1 TRP 4 HD TRP 4 3.007 1.149 -0.790
38 HE1 TRP 4 1HE TRP 4 4.701 -0.371 0.389
39 HE3 TRP 4 3HE TRP 4 3.130 -2.685 -4.154
40 HZ2 TRP 4 2HZ TRP 4 5.934 -2.878 -0.036
41 HZ3 TRP 4 3HZ TRP 4 4.593 -4.613 -3.698
42 HH2 TRP 4 HH TRP 4 5.962 -4.707 -1.677
43 H GLN 5 H GLN 5 1.159 0.621 -0.518
44 HA GLN 5 HA GLN 5 -1.661 -0.078 -0.642
45 1HB GLN 5 2HB GLN 5 0.560 -0.724 1.246
46 2HB GLN 5 1HB GLN 5 -1.105 -0.870 1.788
47 1HG GLN 5 2HG GLN 5 -0.463 -3.004 1.033
48 2HG GLN 5 1HG GLN 5 -1.512 -2.331 -0.203
49 1HE2 GLN 5 1HE2 GLN 5 -0.908 -2.678 -2.163
50 2HE2 GLN 5 2HE2 GLN 5 0.716 -2.887 -2.712
51 H TRP 6 H TRP 6 -1.333 2.657 -0.779
52 HA TRP 6 HA TRP 6 -1.674 3.775 1.867
53 1HB TRP 6 2HB TRP 6 -2.615 5.590 -0.123
54 2HB TRP 6 1HB TRP 6 -1.146 5.694 0.835
55 HD1 TRP 6 HD TRP 6 1.067 5.584 -0.467
56 HE1 TRP 6 1HE TRP 6 1.736 5.027 -2.889
57 HE3 TRP 6 3HE TRP 6 -3.444 3.903 -2.194
58 HZ2 TRP 6 2HZ TRP 6 0.515 4.013 -5.224
59 HZ3 TRP 6 3HZ TRP 6 -3.608 3.162 -4.535
60 HH2 TRP 6 HH TRP 6 -1.670 3.215 -6.017
61 H ARG 7 H ARG 7 -3.645 3.206 -0.990
62 HA ARG 7 HA ARG 7 -6.095 3.480 0.604
63 1HB ARG 7 2HB ARG 7 -5.697 3.365 -2.397
64 2HB ARG 7 1HB ARG 7 -7.246 3.539 -1.590
65 1HG ARG 7 2HG ARG 7 -5.000 5.519 -1.316
66 2HG ARG 7 1HG ARG 7 -6.277 5.647 -2.522
67 1HD ARG 7 2HD ARG 7 -6.981 7.010 -0.745
68 2HD ARG 7 1HD ARG 7 -7.912 5.524 -0.574
69 HE ARG 7 HE ARG 7 -6.952 5.252 1.469
70 1HH1 ARG 7 1HH1 ARG 7 -4.860 7.272 -0.455
71 2HH1 ARG 7 2HH1 ARG 7 -3.739 7.560 0.834
72 1HH2 ARG 7 1HH2 ARG 7 -5.484 5.637 3.174
73 2HH2 ARG 7 2HH2 ARG 7 -4.094 6.633 2.895
74 H MET 8 H MET 8 -4.449 1.450 -1.757
75 HA MET 8 HA MET 8 -6.183 -0.821 -1.315
76 1HB MET 8 2HB MET 8 -3.650 -0.473 -2.933
77 2HB MET 8 1HB MET 8 -4.578 -1.963 -2.870
78 1HG MET 8 2HG MET 8 -5.623 0.680 -3.848
79 2HG MET 8 1HG MET 8 -5.027 -0.620 -4.878
80 1HE MET 8 1HE MET 8 -5.656 -2.999 -3.947
81 2HE MET 8 2HE MET 8 -6.953 -3.198 -5.125
82 3HE MET 8 3HE MET 8 -7.272 -3.462 -3.411
83 H LYS 9 H LYS 9 -5.483 -0.451 1.086
84 HA LYS 9 HA LYS 9 -2.924 -1.362 1.900
85 1HB LYS 9 2HB LYS 9 -5.444 -1.212 3.553
86 2HB LYS 9 1HB LYS 9 -3.790 -1.231 4.148
87 1HG LYS 9 2HG LYS 9 -3.387 0.934 3.057
88 2HG LYS 9 1HG LYS 9 -5.064 0.951 2.509
89 1HD LYS 9 2HD LYS 9 -4.193 0.841 5.395
90 2HD LYS 9 1HD LYS 9 -4.690 2.306 4.547
91 1HE LYS 9 2HE LYS 9 -6.390 -0.143 5.011
92 2HE LYS 9 1HE LYS 9 -6.521 1.387 5.876
93 1HZ LYS 9 1HZ LYS 9 -7.501 2.405 4.116
94 2HZ LYS 9 2HZ LYS 9 -8.035 0.829 3.816
95 3HZ LYS 9 3HZ LYS 9 -6.716 1.452 2.959
96 H LYS 10 H LYS 10 -3.663 -3.315 0.225
97 HA LYS 10 HA LYS 10 -4.848 -5.508 1.665
98 1HB LYS 10 2HB LYS 10 -4.362 -6.796 -0.407
99 2HB LYS 10 1HB LYS 10 -5.305 -5.343 -0.704
100 1HG LYS 10 2HG LYS 10 -3.277 -4.183 -1.439
101 2HG LYS 10 1HG LYS 10 -2.345 -5.653 -1.161
102 1HD LYS 10 2HD LYS 10 -4.685 -5.492 -3.053
103 2HD LYS 10 1HD LYS 10 -3.014 -5.240 -3.549
104 1HE LYS 10 2HE LYS 10 -3.611 -7.506 -4.036
105 2HE LYS 10 1HE LYS 10 -2.479 -7.511 -2.686
106 1HZ LYS 10 1HZ LYS 10 -5.392 -7.561 -2.216
107 2HZ LYS 10 2HZ LYS 10 -4.143 -8.064 -1.191
108 3HZ LYS 10 3HZ LYS 10 -4.545 -8.988 -2.549
109 H LEU 11 H LEU 11 -1.664 -4.677 0.353
110 HA LEU 11 HA LEU 11 -0.424 -6.944 1.654
111 1HB LEU 11 2HB LEU 11 0.295 -6.250 -0.592
112 2HB LEU 11 1HB LEU 11 0.794 -4.699 0.055
113 HG LEU 11 HG LEU 11 2.479 -5.853 1.456
114 1HD1 LEU 11 1HD1 LEU 11 1.104 -8.060 1.306
115 2HD1 LEU 11 2HD1 LEU 11 2.864 -8.122 1.400
116 3HD1 LEU 11 3HD1 LEU 11 2.056 -8.329 -0.154
117 1HD2 LEU 11 1HD2 LEU 11 2.518 -6.135 -1.526
118 2HD2 LEU 11 2HD2 LEU 11 3.890 -6.644 -0.541
119 3HD2 LEU 11 3HD2 LEU 11 3.356 -4.964 -0.508
120 H GLY 12 H GLY 12 -1.015 -3.644 2.245
121 1HA GLY 12 2HA GLY 12 -0.713 -2.420 4.186
122 2HA GLY 12 1HA GLY 12 0.124 -3.800 4.883
123 HA CYS 13 HA CYS 13 3.028 -1.695 1.056
124 1HB CYS 13 2HB CYS 13 3.490 0.501 1.713
125 2HB CYS 13 1HB CYS 13 1.780 0.307 2.059
126 1HN NH2 14 H CYS 13 3.835 -3.906 2.122
127 2HN NH2 14 2HN CYS 13 5.076 -3.746 3.314
Start of MODEL 19
1 1H CYS 1 1HT CYS 1 0.158 5.597 3.227
2 2H CYS 1 2HT CYS 1 0.054 4.399 2.038
3 3H CYS 1 3HT CYS 1 1.378 5.450 2.063
4 HA CYS 1 HA CYS 1 1.381 4.347 4.557
5 1HB CYS 1 2HB CYS 1 -0.305 2.742 3.596
6 2HB CYS 1 1HB CYS 1 0.940 2.190 2.483
7 H ARG 2 H ARG 2 2.392 3.861 1.192
8 HA ARG 2 HA ARG 2 5.116 4.437 1.853
9 1HB ARG 2 2HB ARG 2 5.012 2.080 2.549
10 2HB ARG 2 1HB ARG 2 4.455 1.633 0.943
11 1HG ARG 2 2HG ARG 2 6.560 2.360 -0.018
12 2HG ARG 2 1HG ARG 2 7.118 2.888 1.571
13 1HD ARG 2 2HD ARG 2 6.424 0.061 0.780
14 2HD ARG 2 1HD ARG 2 8.051 0.708 0.983
15 HE ARG 2 HE ARG 2 6.402 -0.300 3.020
16 1HH1 ARG 2 1HH1 ARG 2 8.562 2.364 2.388
17 2HH1 ARG 2 2HH1 ARG 2 8.990 2.576 4.052
18 1HH2 ARG 2 1HH2 ARG 2 6.961 -0.025 5.209
19 2HH2 ARG 2 2HH2 ARG 2 8.081 1.219 5.656
20 H ARG 3 H ARG 3 3.474 2.508 -0.687
21 HA ARG 3 HA ARG 3 3.493 4.560 -2.603
22 1HB ARG 3 2HB ARG 3 5.297 3.582 -4.100
23 2HB ARG 3 1HB ARG 3 5.837 4.472 -2.686
24 1HG ARG 3 2HG ARG 3 7.224 2.590 -2.816
25 2HG ARG 3 1HG ARG 3 6.074 2.242 -1.527
26 1HD ARG 3 2HD ARG 3 4.760 0.869 -3.045
27 2HD ARG 3 1HD ARG 3 5.857 1.257 -4.369
28 HE ARG 3 HE ARG 3 6.204 -0.788 -2.478
29 1HH1 ARG 3 1HH1 ARG 3 8.034 1.726 -4.061
30 2HH1 ARG 3 2HH1 ARG 3 9.537 0.873 -3.955
31 1HH2 ARG 3 1HH2 ARG 3 8.178 -1.913 -2.337
32 2HH2 ARG 3 2HH2 ARG 3 9.619 -1.195 -2.977
33 H TRP 4 H TRP 4 1.798 2.439 -1.663
34 HA TRP 4 HA TRP 4 0.697 1.614 -4.094
35 1HB TRP 4 2HB TRP 4 0.978 -0.914 -3.684
36 2HB TRP 4 1HB TRP 4 2.288 -0.032 -4.450
37 HD1 TRP 4 HD TRP 4 2.835 0.935 -1.067
38 HE1 TRP 4 1HE TRP 4 4.462 -0.630 0.145
39 HE3 TRP 4 3HE TRP 4 2.641 -3.053 -4.246
40 HZ2 TRP 4 2HZ TRP 4 5.530 -3.226 -0.188
41 HZ3 TRP 4 3HZ TRP 4 3.995 -5.045 -3.731
42 HH2 TRP 4 HH TRP 4 5.407 -5.128 -1.739
43 H GLN 5 H GLN 5 1.004 0.540 -0.712
44 HA GLN 5 HA GLN 5 -1.849 0.004 -0.673
45 1HB GLN 5 2HB GLN 5 0.403 -0.621 1.191
46 2HB GLN 5 1HB GLN 5 -1.251 -0.639 1.787
47 1HG GLN 5 2HG GLN 5 -0.800 -2.850 1.196
48 2HG GLN 5 1HG GLN 5 -1.759 -2.211 -0.132
49 1HE2 GLN 5 1HE2 GLN 5 -1.113 -2.837 -2.017
50 2HE2 GLN 5 2HE2 GLN 5 0.518 -3.168 -2.485
51 H TRP 6 H TRP 6 -1.736 2.571 -1.078
52 HA TRP 6 HA TRP 6 -1.745 3.963 1.487
53 1HB TRP 6 2HB TRP 6 -2.652 5.697 -0.572
54 2HB TRP 6 1HB TRP 6 -1.107 5.730 0.266
55 HD1 TRP 6 HD TRP 6 0.964 5.390 -1.204
56 HE1 TRP 6 1HE TRP 6 1.401 4.583 -3.607
57 HE3 TRP 6 3HE TRP 6 -3.767 3.882 -2.436
58 HZ2 TRP 6 2HZ TRP 6 -0.060 3.462 -5.742
59 HZ3 TRP 6 3HZ TRP 6 -4.161 2.958 -4.680
60 HH2 TRP 6 HH TRP 6 -2.345 2.752 -6.299
61 H ARG 7 H ARG 7 -3.898 3.165 -1.171
62 HA ARG 7 HA ARG 7 -6.226 3.779 0.524
63 1HB ARG 7 2HB ARG 7 -6.095 3.434 -2.483
64 2HB ARG 7 1HB ARG 7 -7.517 3.884 -1.557
65 1HG ARG 7 2HG ARG 7 -5.013 5.546 -1.679
66 2HG ARG 7 1HG ARG 7 -6.389 5.759 -2.760
67 1HD ARG 7 2HD ARG 7 -6.648 7.348 -1.029
68 2HD ARG 7 1HD ARG 7 -7.811 6.066 -0.702
69 HE ARG 7 HE ARG 7 -5.408 5.562 0.688
70 1HH1 ARG 7 1HH1 ARG 7 -8.170 7.687 0.716
71 2HH1 ARG 7 2HH1 ARG 7 -8.090 7.978 2.421
72 1HH2 ARG 7 1HH2 ARG 7 -5.294 5.945 2.934
73 2HH2 ARG 7 2HH2 ARG 7 -6.456 6.990 3.681
74 H MET 8 H MET 8 -4.806 1.503 -1.737
75 HA MET 8 HA MET 8 -6.675 -0.604 -0.987
76 1HB MET 8 2HB MET 8 -5.441 -1.893 -2.763
77 2HB MET 8 1HB MET 8 -6.265 -0.450 -3.335
78 1HG MET 8 2HG MET 8 -4.146 0.764 -3.309
79 2HG MET 8 1HG MET 8 -3.324 -0.688 -2.742
80 1HE MET 8 1HE MET 8 -4.613 -3.078 -5.518
81 2HE MET 8 2HE MET 8 -4.170 -2.880 -3.821
82 3HE MET 8 3HE MET 8 -2.913 -3.008 -5.052
83 H LYS 9 H LYS 9 -5.465 -0.155 1.223
84 HA LYS 9 HA LYS 9 -2.906 -1.267 1.639
85 1HB LYS 9 2HB LYS 9 -5.172 -0.741 3.561
86 2HB LYS 9 1HB LYS 9 -3.555 -1.228 4.052
87 1HG LYS 9 2HG LYS 9 -2.606 0.779 3.235
88 2HG LYS 9 1HG LYS 9 -4.108 1.246 2.445
89 1HD LYS 9 2HD LYS 9 -3.828 2.504 4.494
90 2HD LYS 9 1HD LYS 9 -5.187 1.393 4.665
91 1HE LYS 9 2HE LYS 9 -3.745 -0.178 5.871
92 2HE LYS 9 1HE LYS 9 -2.390 0.937 5.702
93 1HZ LYS 9 1HZ LYS 9 -4.693 2.179 6.859
94 2HZ LYS 9 2HZ LYS 9 -3.098 2.132 7.420
95 3HZ LYS 9 3HZ LYS 9 -4.155 0.860 7.774
96 H LYS 10 H LYS 10 -3.494 -3.268 0.278
97 HA LYS 10 HA LYS 10 -4.903 -5.329 1.745
98 1HB LYS 10 2HB LYS 10 -4.411 -6.749 -0.209
99 2HB LYS 10 1HB LYS 10 -5.200 -5.246 -0.667
100 1HG LYS 10 2HG LYS 10 -3.098 -4.315 -1.396
101 2HG LYS 10 1HG LYS 10 -2.239 -5.753 -0.839
102 1HD LYS 10 2HD LYS 10 -3.538 -7.106 -2.450
103 2HD LYS 10 1HD LYS 10 -4.295 -5.626 -3.042
104 1HE LYS 10 2HE LYS 10 -2.135 -4.761 -3.723
105 2HE LYS 10 1HE LYS 10 -1.335 -6.183 -3.054
106 1HZ LYS 10 1HZ LYS 10 -1.823 -7.388 -4.853
107 2HZ LYS 10 2HZ LYS 10 -2.126 -5.912 -5.619
108 3HZ LYS 10 3HZ LYS 10 -3.406 -6.798 -4.959
109 H LEU 11 H LEU 11 -1.622 -4.620 0.653
110 HA LEU 11 HA LEU 11 -0.566 -6.862 2.185
111 1HB LEU 11 2HB LEU 11 0.232 -6.484 -0.116
112 2HB LEU 11 1HB LEU 11 0.837 -4.911 0.364
113 HG LEU 11 HG LEU 11 2.420 -6.002 1.910
114 1HD1 LEU 11 1HD1 LEU 11 1.120 -8.485 0.845
115 2HD1 LEU 11 2HD1 LEU 11 1.410 -8.017 2.521
116 3HD1 LEU 11 3HD1 LEU 11 2.760 -8.503 1.495
117 1HD2 LEU 11 1HD2 LEU 11 3.814 -5.857 0.192
118 2HD2 LEU 11 2HD2 LEU 11 2.470 -6.026 -0.938
119 3HD2 LEU 11 3HD2 LEU 11 3.306 -7.460 -0.342
120 H GLY 12 H GLY 12 -1.163 -3.573 2.527
121 1HA GLY 12 2HA GLY 12 -0.784 -2.166 4.322
122 2HA GLY 12 1HA GLY 12 0.070 -3.483 5.117
123 HA CYS 13 HA CYS 13 2.780 -1.578 1.033
124 1HB CYS 13 2HB CYS 13 3.311 0.620 1.582
125 2HB CYS 13 1HB CYS 13 1.633 0.474 2.078
126 1HN NH2 14 H CYS 13 3.641 -3.766 2.061
127 2HN NH2 14 2HN CYS 13 4.940 -3.611 3.191
Start of MODEL 20
1 1H CYS 1 1HT CYS 1 1.124 5.652 2.957
2 2H CYS 1 2HT CYS 1 -0.371 5.143 3.558
3 3H CYS 1 3HT CYS 1 0.255 4.445 2.151
4 HA CYS 1 HA CYS 1 1.096 4.064 4.944
5 1HB CYS 1 2HB CYS 1 -0.589 2.599 3.772
6 2HB CYS 1 1HB CYS 1 0.691 2.118 2.665
7 H ARG 2 H ARG 2 2.213 3.764 1.578
8 HA ARG 2 HA ARG 2 4.920 4.279 2.372
9 1HB ARG 2 2HB ARG 2 4.798 1.899 2.922
10 2HB ARG 2 1HB ARG 2 4.240 1.538 1.295
11 1HG ARG 2 2HG ARG 2 6.377 2.348 0.398
12 2HG ARG 2 1HG ARG 2 6.932 2.659 2.044
13 1HD ARG 2 2HD ARG 2 6.683 0.285 2.577
14 2HD ARG 2 1HD ARG 2 6.117 -0.026 0.937
15 HE ARG 2 HE ARG 2 8.297 -0.149 0.316
16 1HH1 ARG 2 1HH1 ARG 2 8.103 1.892 3.138
17 2HH1 ARG 2 2HH1 ARG 2 9.813 2.161 3.215
18 1HH2 ARG 2 1HH2 ARG 2 10.546 0.200 0.417
19 2HH2 ARG 2 2HH2 ARG 2 11.200 1.200 1.670
20 H ARG 3 H ARG 3 3.385 2.511 -0.348
21 HA ARG 3 HA ARG 3 3.483 4.679 -2.137
22 1HB ARG 3 2HB ARG 3 5.355 3.802 -3.603
23 2HB ARG 3 1HB ARG 3 5.836 4.578 -2.104
24 1HG ARG 3 2HG ARG 3 7.208 2.682 -2.330
25 2HG ARG 3 1HG ARG 3 6.013 2.275 -1.099
26 1HD ARG 3 2HD ARG 3 4.717 1.042 -2.762
27 2HD ARG 3 1HD ARG 3 5.893 1.469 -4.003
28 HE ARG 3 HE ARG 3 6.080 -0.677 -2.190
29 1HH1 ARG 3 1HH1 ARG 3 8.046 1.804 -3.656
30 2HH1 ARG 3 2HH1 ARG 3 9.510 0.887 -3.543
31 1HH2 ARG 3 1HH2 ARG 3 8.004 -1.885 -2.039
32 2HH2 ARG 3 2HH2 ARG 3 9.486 -1.209 -2.626
33 H TRP 4 H TRP 4 1.777 2.458 -1.388
34 HA TRP 4 HA TRP 4 0.784 1.791 -3.922
35 1HB TRP 4 2HB TRP 4 1.066 -0.755 -3.643
36 2HB TRP 4 1HB TRP 4 2.408 0.174 -4.290
37 HD1 TRP 4 HD TRP 4 2.790 0.963 -0.845
38 HE1 TRP 4 1HE TRP 4 4.349 -0.666 0.372
39 HE3 TRP 4 3HE TRP 4 2.750 -2.867 -4.220
40 HZ2 TRP 4 2HZ TRP 4 5.425 -3.248 -0.030
41 HZ3 TRP 4 3HZ TRP 4 4.072 -4.885 -3.729
42 HH2 TRP 4 HH TRP 4 5.380 -5.071 -1.675
43 H GLN 5 H GLN 5 0.948 0.503 -0.611
44 HA GLN 5 HA GLN 5 -1.894 -0.043 -0.722
45 1HB GLN 5 2HB GLN 5 0.291 -0.746 1.184
46 2HB GLN 5 1HB GLN 5 -1.376 -0.783 1.738
47 1HG GLN 5 2HG GLN 5 -0.933 -2.968 1.072
48 2HG GLN 5 1HG GLN 5 -1.834 -2.271 -0.265
49 1HE2 GLN 5 1HE2 GLN 5 -1.141 -2.927 -2.121
50 2HE2 GLN 5 2HE2 GLN 5 0.503 -3.236 -2.552
51 H TRP 6 H TRP 6 -1.780 2.546 -1.008
52 HA TRP 6 HA TRP 6 -1.887 3.827 1.607
53 1HB TRP 6 2HB TRP 6 -2.793 5.620 -0.405
54 2HB TRP 6 1HB TRP 6 -1.271 5.659 0.476
55 HD1 TRP 6 HD TRP 6 0.858 5.375 -0.928
56 HE1 TRP 6 1HE TRP 6 1.374 4.702 -3.356
57 HE3 TRP 6 3HE TRP 6 -3.827 3.925 -2.391
58 HZ2 TRP 6 2HZ TRP 6 -0.015 3.697 -5.595
59 HZ3 TRP 6 3HZ TRP 6 -4.145 3.126 -4.695
60 HH2 TRP 6 HH TRP 6 -2.278 3.014 -6.263
61 H ARG 7 H ARG 7 -3.984 3.142 -1.134
62 HA ARG 7 HA ARG 7 -6.334 3.599 0.579
63 1HB ARG 7 2HB ARG 7 -6.169 3.508 -2.444
64 2HB ARG 7 1HB ARG 7 -7.617 3.830 -1.502
65 1HG ARG 7 2HG ARG 7 -5.158 5.565 -1.498
66 2HG ARG 7 1HG ARG 7 -6.590 5.853 -2.483
67 1HD ARG 7 2HD ARG 7 -6.822 7.238 -0.585
68 2HD ARG 7 1HD ARG 7 -7.909 5.877 -0.323
69 HE ARG 7 HE ARG 7 -5.412 5.334 0.859
70 1HH1 ARG 7 1HH1 ARG 7 -8.217 7.358 1.283
71 2HH1 ARG 7 2HH1 ARG 7 -8.023 7.485 3.000
72 1HH2 ARG 7 1HH2 ARG 7 -5.148 5.498 3.116
73 2HH2 ARG 7 2HH2 ARG 7 -6.278 6.429 4.042
74 H MET 8 H MET 8 -4.815 1.490 -1.776
75 HA MET 8 HA MET 8 -6.692 -0.668 -1.216
76 1HB MET 8 2HB MET 8 -5.431 -1.853 -3.021
77 2HB MET 8 1HB MET 8 -6.191 -0.359 -3.541
78 1HG MET 8 2HG MET 8 -4.043 0.786 -3.385
79 2HG MET 8 1HG MET 8 -3.283 -0.712 -2.850
80 1HE MET 8 1HE MET 8 -2.152 0.957 -5.203
81 2HE MET 8 2HE MET 8 -1.894 -0.213 -6.496
82 3HE MET 8 3HE MET 8 -1.444 -0.616 -4.839
83 H LYS 9 H LYS 9 -5.563 -0.306 1.046
84 HA LYS 9 HA LYS 9 -3.012 -1.411 1.513
85 1HB LYS 9 2HB LYS 9 -5.359 -1.023 3.370
86 2HB LYS 9 1HB LYS 9 -3.744 -1.476 3.893
87 1HG LYS 9 2HG LYS 9 -2.839 0.596 3.237
88 2HG LYS 9 1HG LYS 9 -4.300 1.037 2.355
89 1HD LYS 9 2HD LYS 9 -5.545 1.127 4.452
90 2HD LYS 9 1HD LYS 9 -4.099 0.645 5.341
91 1HE LYS 9 2HE LYS 9 -2.971 2.687 4.634
92 2HE LYS 9 1HE LYS 9 -4.390 3.160 3.699
93 1HZ LYS 9 1HZ LYS 9 -4.477 4.322 5.738
94 2HZ LYS 9 2HZ LYS 9 -4.165 2.929 6.646
95 3HZ LYS 9 3HZ LYS 9 -5.644 3.102 5.845
96 H LYS 10 H LYS 10 -3.530 -3.350 0.032
97 HA LYS 10 HA LYS 10 -4.990 -5.493 1.304
98 1HB LYS 10 2HB LYS 10 -4.263 -6.816 -0.675
99 2HB LYS 10 1HB LYS 10 -5.126 -5.344 -1.099
100 1HG LYS 10 2HG LYS 10 -3.011 -4.236 -1.595
101 2HG LYS 10 1HG LYS 10 -2.137 -5.702 -1.150
102 1HD LYS 10 2HD LYS 10 -4.152 -5.491 -3.384
103 2HD LYS 10 1HD LYS 10 -2.399 -5.459 -3.588
104 1HE LYS 10 2HE LYS 10 -4.023 -7.733 -2.448
105 2HE LYS 10 1HE LYS 10 -3.289 -7.677 -4.050
106 1HZ LYS 10 1HZ LYS 10 -1.130 -7.691 -3.097
107 2HZ LYS 10 2HZ LYS 10 -2.000 -8.942 -2.365
108 3HZ LYS 10 3HZ LYS 10 -1.737 -7.496 -1.530
109 H LEU 11 H LEU 11 -1.636 -4.784 0.425
110 HA LEU 11 HA LEU 11 -0.693 -7.053 1.982
111 1HB LEU 11 2HB LEU 11 0.275 -6.687 -0.227
112 2HB LEU 11 1HB LEU 11 0.787 -5.080 0.249
113 HG LEU 11 HG LEU 11 2.282 -6.095 1.945
114 1HD1 LEU 11 1HD1 LEU 11 0.772 -8.322 1.691
115 2HD1 LEU 11 2HD1 LEU 11 2.397 -8.297 2.374
116 3HD1 LEU 11 3HD1 LEU 11 2.157 -8.745 0.685
117 1HD2 LEU 11 1HD2 LEU 11 3.350 -5.475 -0.040
118 2HD2 LEU 11 2HD2 LEU 11 2.598 -6.780 -0.957
119 3HD2 LEU 11 3HD2 LEU 11 3.856 -7.144 0.225
120 H GLY 12 H GLY 12 -1.289 -3.769 2.365
121 1HA GLY 12 2HA GLY 12 -1.028 -2.430 4.235
122 2HA GLY 12 1HA GLY 12 -0.177 -3.756 5.017
123 HA CYS 13 HA CYS 13 2.630 -1.654 1.095
124 1HB CYS 13 2HB CYS 13 3.129 0.522 1.772
125 2HB CYS 13 1HB CYS 13 1.428 0.339 2.168
126 1HN NH2 14 H CYS 13 3.500 -3.870 2.045
127 2HN NH2 14 2HN CYS 13 4.748 -3.751 3.236
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