Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
572472 | 2mdq RC | 19501 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -5.519 6.076 -5.269
2 H2 GLY 1 H2 GLY 1 -6.199 5.123 -4.060
3 H3 GLY 1 H3 GLY 1 -5.360 4.387 -5.339
4 HA2 GLY 1 HA2 GLY 1 -3.332 5.487 -4.581
5 HA3 GLY 1 HA3 GLY 1 -4.255 6.109 -3.216
6 H CYS 2 H CYS 2 -2.133 3.789 -4.081
7 HA CYS 2 HA CYS 2 -3.268 1.487 -3.174
8 HB2 CYS 2 HB3 CYS 2 -0.650 2.423 -3.785
9 HB3 CYS 2 HB2 CYS 2 -0.756 0.880 -2.936
10 H CYS 3 H CYS 3 -1.906 3.986 -1.347
11 HA CYS 3 HA CYS 3 -1.358 2.362 0.870
12 HB2 CYS 3 HB3 CYS 3 -1.623 5.286 0.485
13 HB3 CYS 3 HB2 CYS 3 -1.587 4.611 2.099
14 H SER 4 H SER 4 -4.115 4.042 -0.148
15 HA SER 4 HA SER 4 -5.682 3.459 2.214
16 HB2 SER 4 HB3 SER 4 -6.634 4.314 -0.526
17 HB3 SER 4 HB2 SER 4 -7.561 4.403 0.971
18 HG SER 4 HG SER 4 -6.207 5.977 1.729
19 H HIS 5 H HIS 5 -4.573 1.611 -0.247
20 HA HIS 5 HA HIS 5 -6.781 -0.329 -0.266
21 HB2 HIS 5 HB3 HIS 5 -4.369 0.138 -1.980
22 HB3 HIS 5 HB2 HIS 5 -5.185 -1.412 -2.012
23 HD1 HIS 5 HD1 HIS 5 -6.519 -1.534 -4.080
24 HD2 HIS 5 HD2 HIS 5 -6.558 2.285 -2.462
25 HE1 HIS 5 HE1 HIS 5 -7.952 -0.153 -5.626
26 HA PRO 6 HA PRO 6 -4.106 -2.135 3.025
27 HB2 PRO 6 HB2 PRO 6 -6.161 -4.263 2.570
28 HB3 PRO 6 HB3 PRO 6 -5.506 -3.650 4.094
29 HG2 PRO 6 HG3 PRO 6 -7.894 -2.861 3.313
30 HG3 PRO 6 HG2 PRO 6 -6.754 -1.683 3.988
31 HD2 PRO 6 HD3 PRO 6 -7.548 -2.127 1.140
32 HD3 PRO 6 HD2 PRO 6 -7.195 -0.609 1.990
33 H ALA 7 H ALA 7 -5.294 -3.860 0.157
34 HA ALA 7 HA ALA 7 -3.322 -5.915 0.309
35 HB1 ALA 7 HB1 ALA 7 -5.496 -6.262 -0.783
36 HB2 ALA 7 HB2 ALA 7 -4.141 -6.645 -1.845
37 HB3 ALA 7 HB3 ALA 7 -5.020 -5.132 -2.051
38 H CYS 8 H CYS 8 -3.561 -2.903 -1.542
39 HA CYS 8 HA CYS 8 -1.174 -3.519 -3.091
40 HB2 CYS 8 HB3 CYS 8 -3.212 -2.128 -3.900
41 HB3 CYS 8 HB2 CYS 8 -2.534 -0.839 -2.908
42 H ASN 9 H ASN 9 -1.987 -1.970 -0.187
43 HA ASN 9 HA ASN 9 0.027 -0.121 0.277
44 HB2 ASN 9 HB3 ASN 9 -2.043 -0.720 1.658
45 HB3 ASN 9 HB2 ASN 9 -1.083 -2.061 2.237
46 HD21 ASN 9 HD22 ASN 9 -1.644 1.284 2.453
47 HD22 ASN 9 HD21 ASN 9 -0.581 1.621 3.778
48 H VAL 10 H VAL 10 -0.147 -3.519 0.753
49 HA VAL 10 HA VAL 10 2.254 -3.977 2.135
50 HB VAL 10 HB VAL 10 0.780 -5.897 0.358
51 HG11 VAL 10 HG11 VAL 10 1.793 -7.666 1.755
52 HG12 VAL 10 HG12 VAL 10 2.712 -6.436 2.620
53 HG13 VAL 10 HG13 VAL 10 3.013 -6.716 0.905
54 HG21 VAL 10 HG21 VAL 10 -0.699 -4.987 2.040
55 HG22 VAL 10 HG22 VAL 10 0.469 -5.371 3.304
56 HG23 VAL 10 HG23 VAL 10 -0.325 -6.670 2.414
57 H ASP 11 H ASP 11 1.621 -3.720 -1.342
58 HA ASP 11 HA ASP 11 4.320 -4.679 -1.747
59 HB2 ASP 11 HB3 ASP 11 3.867 -4.992 -4.092
60 HB3 ASP 11 HB2 ASP 11 2.599 -5.753 -3.149
61 H HIS 12 H HIS 12 3.077 -1.795 -1.130
62 HA HIS 12 HA HIS 12 5.180 -0.491 -2.669
63 HB2 HIS 12 HB3 HIS 12 2.573 0.453 -1.640
64 HB3 HIS 12 HB2 HIS 12 3.849 1.579 -2.027
65 HD1 HIS 12 HD1 HIS 12 4.306 1.920 -4.672
66 HD2 HIS 12 HD2 HIS 12 1.188 -0.658 -3.700
67 HE1 HIS 12 HE1 HIS 12 2.988 1.641 -6.760
68 HA PRO 13 HA PRO 13 6.115 -0.322 1.940
69 HB2 PRO 13 HB2 PRO 13 8.723 -1.082 1.846
70 HB3 PRO 13 HB3 PRO 13 7.403 -2.250 1.931
71 HG2 PRO 13 HG3 PRO 13 9.007 -1.366 -0.426
72 HG3 PRO 13 HG2 PRO 13 8.427 -2.986 -0.013
73 HD2 PRO 13 HD3 PRO 13 7.217 -1.375 -1.869
74 HD3 PRO 13 HD2 PRO 13 6.356 -2.612 -0.936
75 H GLU 14 H GLU 14 7.411 0.971 -0.860
76 HA GLU 14 HA GLU 14 9.169 2.894 0.277
77 HB2 GLU 14 HB3 GLU 14 9.200 3.711 -2.036
78 HB3 GLU 14 HB2 GLU 14 9.618 2.006 -1.898
79 HG2 GLU 14 HG3 GLU 14 7.326 1.425 -2.609
80 HG3 GLU 14 HG2 GLU 14 6.974 3.148 -2.726
81 H ILE 15 H ILE 15 5.782 2.670 -0.414
82 HA ILE 15 HA ILE 15 5.491 5.604 -0.229
83 HB ILE 15 HB ILE 15 3.375 3.642 -1.173
84 HG12 ILE 15 HG13 ILE 15 5.126 3.554 -2.827
85 HG13 ILE 15 HG12 ILE 15 3.803 4.503 -3.458
86 HG21 ILE 15 HG21 ILE 15 3.519 6.648 -1.377
87 HG22 ILE 15 HG22 ILE 15 2.465 5.716 -0.313
88 HG23 ILE 15 HG23 ILE 15 2.247 5.636 -2.061
89 HD11 ILE 15 HD11 ILE 15 4.984 6.562 -2.976
90 HD12 ILE 15 HD12 ILE 15 5.945 5.507 -4.015
91 HD13 ILE 15 HD13 ILE 15 6.333 5.643 -2.299
92 H CYS 16 H CYS 16 4.093 2.570 0.725
93 HA CYS 16 HA CYS 16 2.674 3.834 2.910
94 HB2 CYS 16 2HB CYS 16 2.585 1.068 1.879
95 HB3 CYS 16 1HB CYS 16 1.410 1.798 2.965
96 HN1 NH2 17 1H NH2 17 4.229 4.076 4.459
97 HN2 NH2 17 2H NH2 17 5.180 2.783 5.108
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -5.338 6.349 -2.756
2 H2 GLY 1 H2 GLY 1 -5.648 5.680 -4.274
3 H3 GLY 1 H3 GLY 1 -4.979 7.249 -4.140
4 HA2 GLY 1 HA2 GLY 1 -3.304 5.631 -4.750
5 HA3 GLY 1 HA3 GLY 1 -3.003 6.335 -3.166
6 H CYS 2 H CYS 2 -1.901 3.888 -3.859
7 HA CYS 2 HA CYS 2 -3.464 1.707 -3.198
8 HB2 CYS 2 HB3 CYS 2 -0.711 2.314 -3.561
9 HB3 CYS 2 HB2 CYS 2 -1.066 0.787 -2.761
10 H CYS 3 H CYS 3 -2.053 3.998 -1.234
11 HA CYS 3 HA CYS 3 -1.572 2.398 0.997
12 HB2 CYS 3 HB3 CYS 3 -2.187 5.308 0.736
13 HB3 CYS 3 HB2 CYS 3 -1.752 4.538 2.235
14 H SER 4 H SER 4 -4.269 4.065 -0.128
15 HA SER 4 HA SER 4 -6.010 3.418 2.082
16 HB2 SER 4 HB3 SER 4 -6.724 4.373 -0.702
17 HB3 SER 4 HB2 SER 4 -7.756 4.446 0.731
18 HG SER 4 HG SER 4 -6.250 5.831 1.681
19 H HIS 5 H HIS 5 -4.587 1.408 0.140
20 HA HIS 5 HA HIS 5 -6.824 -0.463 -0.143
21 HB2 HIS 5 HB3 HIS 5 -4.602 0.215 -1.996
22 HB3 HIS 5 HB2 HIS 5 -5.447 -1.324 -2.157
23 HD1 HIS 5 HD1 HIS 5 -7.965 -1.165 -3.076
24 HD2 HIS 5 HD2 HIS 5 -5.918 2.457 -2.951
25 HE1 HIS 5 HE1 HIS 5 -9.308 0.435 -4.449
26 HA PRO 6 HA PRO 6 -3.882 -2.185 2.982
27 HB2 PRO 6 HB2 PRO 6 -5.856 -4.381 2.475
28 HB3 PRO 6 HB3 PRO 6 -5.134 -3.859 4.003
29 HG2 PRO 6 HG3 PRO 6 -7.580 -3.067 3.389
30 HG3 PRO 6 HG2 PRO 6 -6.433 -1.929 4.115
31 HD2 PRO 6 HD3 PRO 6 -7.408 -2.088 1.304
32 HD3 PRO 6 HD2 PRO 6 -6.904 -0.673 2.246
33 H ALA 7 H ALA 7 -5.054 -4.161 0.261
34 HA ALA 7 HA ALA 7 -2.911 -6.001 0.337
35 HB1 ALA 7 HB1 ALA 7 -4.675 -5.317 -2.002
36 HB2 ALA 7 HB2 ALA 7 -5.033 -6.515 -0.754
37 HB3 ALA 7 HB3 ALA 7 -3.663 -6.748 -1.840
38 H CYS 8 H CYS 8 -3.333 -2.998 -1.457
39 HA CYS 8 HA CYS 8 -0.989 -3.456 -3.131
40 HB2 CYS 8 HB3 CYS 8 -3.174 -2.182 -3.759
41 HB3 CYS 8 HB2 CYS 8 -2.481 -0.890 -2.783
42 H ASN 9 H ASN 9 -1.832 -2.030 -0.215
43 HA ASN 9 HA ASN 9 0.116 -0.040 0.112
44 HB2 ASN 9 HB3 ASN 9 -2.037 -0.409 1.338
45 HB3 ASN 9 HB2 ASN 9 -1.259 -1.765 2.091
46 HD21 ASN 9 HD22 ASN 9 -2.350 0.918 2.898
47 HD22 ASN 9 HD21 ASN 9 -1.207 1.529 4.033
48 H VAL 10 H VAL 10 -0.135 -3.355 0.933
49 HA VAL 10 HA VAL 10 2.260 -3.690 2.348
50 HB VAL 10 HB VAL 10 0.717 -5.732 0.782
51 HG11 VAL 10 HG11 VAL 10 1.831 -7.407 2.231
52 HG12 VAL 10 HG12 VAL 10 2.829 -6.120 2.910
53 HG13 VAL 10 HG13 VAL 10 2.969 -6.540 1.201
54 HG21 VAL 10 HG21 VAL 10 -0.618 -4.695 2.520
55 HG22 VAL 10 HG22 VAL 10 0.638 -5.030 3.712
56 HG23 VAL 10 HG23 VAL 10 -0.242 -6.360 2.959
57 H ASP 11 H ASP 11 1.604 -4.009 -1.154
58 HA ASP 11 HA ASP 11 4.345 -4.842 -1.457
59 HB2 ASP 11 HB3 ASP 11 3.912 -5.377 -3.794
60 HB3 ASP 11 HB2 ASP 11 2.705 -6.114 -2.763
61 H HIS 12 H HIS 12 3.089 -1.933 -1.114
62 HA HIS 12 HA HIS 12 5.262 -0.800 -2.658
63 HB2 HIS 12 HB3 HIS 12 2.662 0.324 -1.801
64 HB3 HIS 12 HB2 HIS 12 4.020 1.325 -2.266
65 HD1 HIS 12 HD1 HIS 12 4.818 0.920 -4.903
66 HD2 HIS 12 HD2 HIS 12 1.072 -0.482 -3.782
67 HE1 HIS 12 HE1 HIS 12 3.553 0.603 -7.025
68 HA PRO 13 HA PRO 13 6.113 -0.601 1.914
69 HB2 PRO 13 HB2 PRO 13 8.912 -0.971 1.141
70 HB3 PRO 13 HB3 PRO 13 7.933 -1.923 2.260
71 HG2 PRO 13 HG3 PRO 13 8.678 -2.887 -0.139
72 HG3 PRO 13 HG2 PRO 13 7.113 -3.291 0.590
73 HD2 PRO 13 HD3 PRO 13 7.744 -1.300 -1.557
74 HD3 PRO 13 HD2 PRO 13 6.395 -2.450 -1.451
75 H GLU 14 H GLU 14 7.526 1.080 -0.725
76 HA GLU 14 HA GLU 14 8.740 3.007 1.024
77 HB2 GLU 14 HB3 GLU 14 9.623 3.951 -0.969
78 HB3 GLU 14 HB2 GLU 14 10.064 2.255 -0.850
79 HG2 GLU 14 HG3 GLU 14 7.839 3.343 -2.580
80 HG3 GLU 14 HG2 GLU 14 9.482 3.118 -3.156
81 H ILE 15 H ILE 15 5.869 2.528 -0.705
82 HA ILE 15 HA ILE 15 5.369 5.418 -0.829
83 HB ILE 15 HB ILE 15 3.648 3.194 -1.975
84 HG12 ILE 15 HG13 ILE 15 5.802 4.869 -3.306
85 HG13 ILE 15 HG12 ILE 15 5.780 3.126 -3.078
86 HG21 ILE 15 HG21 ILE 15 2.446 5.249 -1.557
87 HG22 ILE 15 HG22 ILE 15 2.633 4.984 -3.294
88 HG23 ILE 15 HG23 ILE 15 3.658 6.154 -2.461
89 HD11 ILE 15 HD11 ILE 15 3.921 2.917 -4.622
90 HD12 ILE 15 HD12 ILE 15 5.286 3.736 -5.382
91 HD13 ILE 15 HD13 ILE 15 3.890 4.668 -4.840
92 H CYS 16 H CYS 16 4.176 2.431 0.444
93 HA CYS 16 HA CYS 16 2.462 3.906 2.253
94 HB2 CYS 16 2HB CYS 16 2.048 1.295 0.951
95 HB3 CYS 16 1HB CYS 16 0.932 2.021 2.100
96 HN1 NH2 17 1H NH2 17 3.427 0.492 1.936
97 HN2 NH2 17 2H NH2 17 4.128 0.386 3.508
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -4.454 7.129 -4.798
2 H2 GLY 1 H2 GLY 1 -4.310 6.569 -3.210
3 H3 GLY 1 H3 GLY 1 -5.489 5.935 -4.196
4 HA2 GLY 1 HA2 GLY 1 -3.770 4.984 -5.639
5 HA3 GLY 1 HA3 GLY 1 -2.579 5.607 -4.503
6 H CYS 2 H CYS 2 -2.205 3.090 -4.672
7 HA CYS 2 HA CYS 2 -3.943 1.305 -3.563
8 HB2 CYS 2 HB3 CYS 2 -1.187 1.437 -4.216
9 HB3 CYS 2 HB2 CYS 2 -1.655 0.089 -3.187
10 H CYS 3 H CYS 3 -1.957 3.479 -1.912
11 HA CYS 3 HA CYS 3 -1.647 1.908 0.356
12 HB2 CYS 3 HB3 CYS 3 -1.270 4.740 -0.238
13 HB3 CYS 3 HB2 CYS 3 -1.456 4.276 1.448
14 H SER 4 H SER 4 -4.229 3.820 -0.589
15 HA SER 4 HA SER 4 -5.584 3.518 1.946
16 HB2 SER 4 HB3 SER 4 -6.679 4.385 -0.730
17 HB3 SER 4 HB2 SER 4 -7.554 4.479 0.803
18 HG SER 4 HG SER 4 -6.108 5.905 1.561
19 H HIS 5 H HIS 5 -4.758 1.306 -0.203
20 HA HIS 5 HA HIS 5 -7.159 -0.333 0.129
21 HB2 HIS 5 HB3 HIS 5 -5.037 -0.304 -2.009
22 HB3 HIS 5 HB2 HIS 5 -6.249 -1.575 -1.888
23 HD1 HIS 5 HD1 HIS 5 -8.605 -1.000 -2.767
24 HD2 HIS 5 HD2 HIS 5 -5.946 2.180 -2.928
25 HE1 HIS 5 HE1 HIS 5 -9.712 0.736 -4.198
26 HA PRO 6 HA PRO 6 -4.247 -2.081 3.193
27 HB2 PRO 6 HB2 PRO 6 -6.344 -4.202 2.939
28 HB3 PRO 6 HB3 PRO 6 -5.571 -3.558 4.394
29 HG2 PRO 6 HG3 PRO 6 -7.999 -2.740 3.738
30 HG3 PRO 6 HG2 PRO 6 -6.797 -1.579 4.331
31 HD2 PRO 6 HD3 PRO 6 -7.817 -2.009 1.568
32 HD3 PRO 6 HD2 PRO 6 -7.289 -0.512 2.361
33 H ALA 7 H ALA 7 -5.640 -4.072 0.603
34 HA ALA 7 HA ALA 7 -3.603 -6.045 0.792
35 HB1 ALA 7 HB1 ALA 7 -4.626 -7.070 -1.135
36 HB2 ALA 7 HB2 ALA 7 -5.556 -5.607 -1.448
37 HB3 ALA 7 HB3 ALA 7 -5.871 -6.556 0.005
38 H CYS 8 H CYS 8 -3.883 -3.100 -1.010
39 HA CYS 8 HA CYS 8 -1.642 -3.891 -2.767
40 HB2 CYS 8 HB3 CYS 8 -3.905 -2.863 -3.601
41 HB3 CYS 8 HB2 CYS 8 -3.245 -1.370 -2.942
42 H ASN 9 H ASN 9 -2.055 -2.705 0.113
43 HA ASN 9 HA ASN 9 -0.609 -0.229 0.168
44 HB2 ASN 9 HB3 ASN 9 -2.381 -0.981 1.766
45 HB3 ASN 9 HB2 ASN 9 -1.213 -2.145 2.345
46 HD21 ASN 9 HD22 ASN 9 -2.023 1.180 2.220
47 HD22 ASN 9 HD21 ASN 9 -0.932 1.704 3.451
48 H VAL 10 H VAL 10 -0.056 -3.506 1.025
49 HA VAL 10 HA VAL 10 2.480 -3.231 2.185
50 HB VAL 10 HB VAL 10 0.994 -5.143 2.595
51 HG11 VAL 10 HG11 VAL 10 0.874 -7.026 1.032
52 HG12 VAL 10 HG12 VAL 10 1.729 -6.057 -0.170
53 HG13 VAL 10 HG13 VAL 10 0.136 -5.556 0.394
54 HG21 VAL 10 HG21 VAL 10 2.712 -6.918 2.623
55 HG22 VAL 10 HG22 VAL 10 3.331 -5.368 3.195
56 HG23 VAL 10 HG23 VAL 10 3.717 -5.924 1.569
57 H ASP 11 H ASP 11 1.617 -3.434 -1.191
58 HA ASP 11 HA ASP 11 4.351 -4.116 -1.830
59 HB2 ASP 11 HB3 ASP 11 3.657 -4.331 -4.190
60 HB3 ASP 11 HB2 ASP 11 2.752 -5.371 -3.110
61 H HIS 12 H HIS 12 3.225 -1.333 -0.911
62 HA HIS 12 HA HIS 12 4.877 0.131 -2.809
63 HB2 HIS 12 HB3 HIS 12 2.741 0.925 -0.910
64 HB3 HIS 12 HB2 HIS 12 3.933 2.091 -1.438
65 HD1 HIS 12 HD1 HIS 12 3.529 3.157 -3.734
66 HD2 HIS 12 HD2 HIS 12 1.012 -0.048 -2.938
67 HE1 HIS 12 HE1 HIS 12 1.809 3.170 -5.554
68 HA PRO 13 HA PRO 13 7.368 -0.701 0.968
69 HB2 PRO 13 HB2 PRO 13 9.714 -0.485 -0.740
70 HB3 PRO 13 HB3 PRO 13 9.150 -1.869 0.195
71 HG2 PRO 13 HG3 PRO 13 9.065 -1.795 -2.517
72 HG3 PRO 13 HG2 PRO 13 7.898 -2.699 -1.542
73 HD2 PRO 13 HD3 PRO 13 7.605 -0.032 -2.864
74 HD3 PRO 13 HD2 PRO 13 6.433 -1.364 -2.731
75 H GLU 14 H GLU 14 7.761 1.812 -1.341
76 HA GLU 14 HA GLU 14 9.431 3.291 0.459
77 HB2 GLU 14 HB3 GLU 14 9.679 4.820 -1.339
78 HB3 GLU 14 HB2 GLU 14 10.135 3.205 -1.857
79 HG2 GLU 14 HG3 GLU 14 7.523 4.587 -2.492
80 HG3 GLU 14 HG2 GLU 14 8.913 4.573 -3.561
81 H ILE 15 H ILE 15 6.240 2.813 0.218
82 HA ILE 15 HA ILE 15 5.646 5.599 0.998
83 HB ILE 15 HB ILE 15 3.623 3.745 -0.301
84 HG12 ILE 15 HG13 ILE 15 5.374 4.344 -1.956
85 HG13 ILE 15 HG12 ILE 15 3.814 5.046 -2.356
86 HG21 ILE 15 HG21 ILE 15 3.541 6.700 0.284
87 HG22 ILE 15 HG22 ILE 15 2.660 5.437 1.144
88 HG23 ILE 15 HG23 ILE 15 2.279 5.786 -0.543
89 HD11 ILE 15 HD11 ILE 15 6.135 6.480 -1.087
90 HD12 ILE 15 HD12 ILE 15 4.572 7.199 -1.483
91 HD13 ILE 15 HD13 ILE 15 5.624 6.605 -2.774
92 H CYS 16 H CYS 16 4.267 2.385 1.140
93 HA CYS 16 HA CYS 16 3.580 2.872 3.923
94 HB2 CYS 16 2HB CYS 16 2.142 1.423 1.799
95 HB3 CYS 16 1HB CYS 16 1.633 1.384 3.486
96 HN1 NH2 17 1H NH2 17 3.163 -0.154 2.145
97 HN2 NH2 17 2H NH2 17 4.366 -1.029 3.010
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -5.336 5.907 -2.188
2 H2 GLY 1 H2 GLY 1 -6.429 5.017 -3.096
3 H3 GLY 1 H3 GLY 1 -5.985 6.568 -3.605
4 HA2 GLY 1 HA2 GLY 1 -4.850 4.889 -4.909
5 HA3 GLY 1 HA3 GLY 1 -3.693 5.746 -3.893
6 H CYS 2 H CYS 2 -2.493 3.638 -4.393
7 HA CYS 2 HA CYS 2 -3.420 1.248 -3.423
8 HB2 CYS 2 HB3 CYS 2 -0.981 2.324 -4.392
9 HB3 CYS 2 HB2 CYS 2 -0.790 0.838 -3.466
10 H CYS 3 H CYS 3 -1.960 3.794 -1.741
11 HA CYS 3 HA CYS 3 -1.034 2.217 0.396
12 HB2 CYS 3 HB3 CYS 3 -1.757 5.109 0.259
13 HB3 CYS 3 HB2 CYS 3 -1.021 4.336 1.631
14 H SER 4 H SER 4 -3.878 3.961 -0.221
15 HA SER 4 HA SER 4 -5.143 3.504 2.308
16 HB2 SER 4 HB3 SER 4 -6.405 4.238 -0.322
17 HB3 SER 4 HB2 SER 4 -7.048 4.575 1.294
18 HG SER 4 HG SER 4 -4.971 5.748 1.584
19 H HIS 5 H HIS 5 -4.632 1.691 -0.445
20 HA HIS 5 HA HIS 5 -6.741 -0.263 0.004
21 HB2 HIS 5 HB3 HIS 5 -4.697 0.299 -2.055
22 HB3 HIS 5 HB2 HIS 5 -5.391 -1.313 -1.989
23 HD1 HIS 5 HD1 HIS 5 -7.376 -1.580 -3.523
24 HD2 HIS 5 HD2 HIS 5 -6.911 2.346 -2.251
25 HE1 HIS 5 HE1 HIS 5 -9.174 -0.278 -4.660
26 HA PRO 6 HA PRO 6 -3.668 -1.965 2.895
27 HB2 PRO 6 HB2 PRO 6 -5.680 -4.169 2.828
28 HB3 PRO 6 HB3 PRO 6 -4.887 -3.415 4.219
29 HG2 PRO 6 HG3 PRO 6 -7.386 -2.784 3.644
30 HG3 PRO 6 HG2 PRO 6 -6.237 -1.524 4.128
31 HD2 PRO 6 HD3 PRO 6 -7.279 -2.189 1.408
32 HD3 PRO 6 HD2 PRO 6 -6.936 -0.602 2.132
33 H ALA 7 H ALA 7 -5.122 -3.835 0.255
34 HA ALA 7 HA ALA 7 -3.157 -5.887 0.362
35 HB1 ALA 7 HB1 ALA 7 -4.979 -5.239 -1.946
36 HB2 ALA 7 HB2 ALA 7 -5.426 -6.230 -0.559
37 HB3 ALA 7 HB3 ALA 7 -4.143 -6.764 -1.642
38 H CYS 8 H CYS 8 -3.495 -2.968 -1.565
39 HA CYS 8 HA CYS 8 -1.216 -3.676 -3.213
40 HB2 CYS 8 HB3 CYS 8 -3.278 -2.364 -4.008
41 HB3 CYS 8 HB2 CYS 8 -2.618 -1.004 -3.104
42 H ASN 9 H ASN 9 -1.862 -1.994 -0.294
43 HA ASN 9 HA ASN 9 0.387 -0.291 -0.259
44 HB2 ASN 9 HB3 ASN 9 -1.691 -0.242 1.240
45 HB3 ASN 9 HB2 ASN 9 -0.910 -1.534 2.081
46 HD21 ASN 9 HD22 ASN 9 1.187 0.915 0.807
47 HD22 ASN 9 HD21 ASN 9 1.632 1.561 2.348
48 H VAL 10 H VAL 10 -0.248 -3.481 0.695
49 HA VAL 10 HA VAL 10 2.073 -4.234 2.039
50 HB VAL 10 HB VAL 10 0.539 -5.913 0.066
51 HG11 VAL 10 HG11 VAL 10 1.485 -7.881 1.239
52 HG12 VAL 10 HG12 VAL 10 2.473 -6.800 2.220
53 HG13 VAL 10 HG13 VAL 10 2.742 -6.904 0.481
54 HG21 VAL 10 HG21 VAL 10 0.318 -5.716 3.061
55 HG22 VAL 10 HG22 VAL 10 -0.561 -6.862 2.051
56 HG23 VAL 10 HG23 VAL 10 -0.854 -5.131 1.879
57 H ASP 11 H ASP 11 1.580 -3.964 -1.450
58 HA ASP 11 HA ASP 11 4.380 -4.638 -1.836
59 HB2 ASP 11 HB3 ASP 11 3.933 -4.744 -4.241
60 HB3 ASP 11 HB2 ASP 11 2.821 -5.775 -3.352
61 H HIS 12 H HIS 12 2.791 -1.968 -1.090
62 HA HIS 12 HA HIS 12 4.739 -0.250 -2.485
63 HB2 HIS 12 HB3 HIS 12 1.962 0.097 -1.550
64 HB3 HIS 12 HB2 HIS 12 2.990 1.499 -1.643
65 HD1 HIS 12 HD1 HIS 12 2.210 -1.356 -4.203
66 HD2 HIS 12 HD2 HIS 12 2.236 2.791 -3.845
67 HE1 HIS 12 HE1 HIS 12 1.615 -0.463 -6.442
68 HA PRO 13 HA PRO 13 5.364 -0.152 2.204
69 HB2 PRO 13 HB2 PRO 13 8.014 -1.244 1.998
70 HB3 PRO 13 HB3 PRO 13 6.591 -1.997 2.718
71 HG2 PRO 13 HG3 PRO 13 7.808 -2.923 0.434
72 HG3 PRO 13 HG2 PRO 13 6.103 -3.187 0.827
73 HD2 PRO 13 HD3 PRO 13 7.333 -1.143 -0.990
74 HD3 PRO 13 HD2 PRO 13 5.878 -2.136 -1.234
75 H GLU 14 H GLU 14 7.302 0.659 -0.420
76 HA GLU 14 HA GLU 14 9.013 2.512 0.899
77 HB2 GLU 14 HB3 GLU 14 9.687 2.961 -1.439
78 HB3 GLU 14 HB2 GLU 14 9.895 1.284 -0.950
79 HG2 GLU 14 HG3 GLU 14 7.834 0.709 -2.159
80 HG3 GLU 14 HG2 GLU 14 7.630 2.400 -2.605
81 H ILE 15 H ILE 15 5.839 2.477 -0.229
82 HA ILE 15 HA ILE 15 5.912 5.304 -0.962
83 HB ILE 15 HB ILE 15 3.583 3.383 -1.198
84 HG12 ILE 15 HG13 ILE 15 5.426 2.607 -2.613
85 HG13 ILE 15 HG12 ILE 15 4.127 3.243 -3.604
86 HG21 ILE 15 HG21 ILE 15 2.666 5.060 -2.744
87 HG22 ILE 15 HG22 ILE 15 4.060 6.096 -2.440
88 HG23 ILE 15 HG23 ILE 15 2.930 5.733 -1.134
89 HD11 ILE 15 HD11 ILE 15 5.371 5.311 -3.902
90 HD12 ILE 15 HD12 ILE 15 6.274 3.900 -4.462
91 HD13 ILE 15 HD13 ILE 15 6.685 4.652 -2.918
92 H CYS 16 H CYS 16 4.079 3.065 1.011
93 HA CYS 16 HA CYS 16 3.858 5.109 3.054
94 HB2 CYS 16 2HB CYS 16 1.719 3.382 1.999
95 HB3 CYS 16 1HB CYS 16 1.554 4.442 3.389
96 HN1 NH2 17 1H NH2 17 5.397 3.924 4.208
97 HN2 NH2 17 2H NH2 17 5.082 2.355 4.860
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -5.519 5.334 -4.621
2 H2 GLY 1 H2 GLY 1 -5.027 6.936 -4.648
3 H3 GLY 1 H3 GLY 1 -5.443 6.174 -3.167
4 HA2 GLY 1 HA2 GLY 1 -3.158 5.465 -4.877
5 HA3 GLY 1 HA3 GLY 1 -3.078 6.341 -3.348
6 H CYS 2 H CYS 2 -1.909 3.739 -4.087
7 HA CYS 2 HA CYS 2 -3.393 1.633 -3.207
8 HB2 CYS 2 HB3 CYS 2 -0.656 2.195 -3.739
9 HB3 CYS 2 HB2 CYS 2 -0.990 0.682 -2.897
10 H CYS 3 H CYS 3 -1.798 3.920 -1.331
11 HA CYS 3 HA CYS 3 -1.362 2.380 0.933
12 HB2 CYS 3 HB3 CYS 3 -1.915 5.278 0.571
13 HB3 CYS 3 HB2 CYS 3 -1.614 4.572 2.145
14 H SER 4 H SER 4 -4.120 4.038 -0.127
15 HA SER 4 HA SER 4 -5.743 3.411 2.167
16 HB2 SER 4 HB3 SER 4 -6.571 4.355 -0.575
17 HB3 SER 4 HB2 SER 4 -7.530 4.461 0.907
18 HG SER 4 HG SER 4 -6.003 5.827 1.769
19 H HIS 5 H HIS 5 -4.544 1.528 -0.177
20 HA HIS 5 HA HIS 5 -6.830 -0.302 -0.409
21 HB2 HIS 5 HB3 HIS 5 -4.334 0.158 -1.991
22 HB3 HIS 5 HB2 HIS 5 -5.302 -1.289 -2.243
23 HD1 HIS 5 HD1 HIS 5 -6.768 -1.022 -4.256
24 HD2 HIS 5 HD2 HIS 5 -6.054 2.598 -2.371
25 HE1 HIS 5 HE1 HIS 5 -7.989 0.709 -5.611
26 HA PRO 6 HA PRO 6 -4.208 -2.276 2.805
27 HB2 PRO 6 HB2 PRO 6 -6.279 -4.379 2.373
28 HB3 PRO 6 HB3 PRO 6 -5.647 -3.721 3.890
29 HG2 PRO 6 HG3 PRO 6 -8.027 -2.960 3.074
30 HG3 PRO 6 HG2 PRO 6 -6.892 -1.755 3.705
31 HD2 PRO 6 HD3 PRO 6 -7.604 -2.353 0.856
32 HD3 PRO 6 HD2 PRO 6 -7.379 -0.780 1.654
33 H ALA 7 H ALA 7 -5.536 -3.982 -0.006
34 HA ALA 7 HA ALA 7 -3.568 -6.037 0.086
35 HB1 ALA 7 HB1 ALA 7 -5.811 -6.400 -0.866
36 HB2 ALA 7 HB2 ALA 7 -4.518 -6.814 -1.992
37 HB3 ALA 7 HB3 ALA 7 -5.400 -5.307 -2.188
38 H CYS 8 H CYS 8 -3.643 -2.891 -1.319
39 HA CYS 8 HA CYS 8 -1.305 -3.557 -3.008
40 HB2 CYS 8 HB3 CYS 8 -3.394 -2.358 -3.988
41 HB3 CYS 8 HB2 CYS 8 -2.867 -0.976 -3.035
42 H ASN 9 H ASN 9 -1.764 -2.818 -0.008
43 HA ASN 9 HA ASN 9 -0.178 -0.402 0.238
44 HB2 ASN 9 HB3 ASN 9 -2.139 -0.996 1.732
45 HB3 ASN 9 HB2 ASN 9 -1.089 -2.241 2.385
46 HD21 ASN 9 HD22 ASN 9 -1.726 1.110 2.273
47 HD22 ASN 9 HD21 ASN 9 -0.655 1.601 3.533
48 H VAL 10 H VAL 10 -0.005 -3.716 1.198
49 HA VAL 10 HA VAL 10 2.453 -3.600 2.503
50 HB VAL 10 HB VAL 10 0.924 -5.431 2.890
51 HG11 VAL 10 HG11 VAL 10 1.608 -6.391 0.127
52 HG12 VAL 10 HG12 VAL 10 0.046 -5.779 0.672
53 HG13 VAL 10 HG13 VAL 10 0.677 -7.294 1.321
54 HG21 VAL 10 HG21 VAL 10 3.241 -5.804 3.467
55 HG22 VAL 10 HG22 VAL 10 3.573 -6.399 1.840
56 HG23 VAL 10 HG23 VAL 10 2.503 -7.306 2.909
57 H ASP 11 H ASP 11 1.870 -4.201 -0.937
58 HA ASP 11 HA ASP 11 4.673 -4.744 -1.232
59 HB2 ASP 11 HB3 ASP 11 4.181 -5.158 -3.639
60 HB3 ASP 11 HB2 ASP 11 3.280 -6.179 -2.532
61 H HIS 12 H HIS 12 3.245 -1.951 -0.777
62 HA HIS 12 HA HIS 12 5.118 -0.620 -2.554
63 HB2 HIS 12 HB3 HIS 12 2.478 0.144 -1.512
64 HB3 HIS 12 HB2 HIS 12 3.641 1.412 -1.836
65 HD1 HIS 12 HD1 HIS 12 4.202 1.795 -4.475
66 HD2 HIS 12 HD2 HIS 12 1.244 -1.021 -3.622
67 HE1 HIS 12 HE1 HIS 12 3.004 1.396 -6.612
68 HA PRO 13 HA PRO 13 6.616 -0.082 1.874
69 HB2 PRO 13 HB2 PRO 13 9.279 -0.409 0.639
70 HB3 PRO 13 HB3 PRO 13 8.583 -1.282 2.007
71 HG2 PRO 13 HG3 PRO 13 8.960 -2.479 -0.362
72 HG3 PRO 13 HG2 PRO 13 7.563 -2.860 0.658
73 HD2 PRO 13 HD3 PRO 13 7.719 -1.085 -1.753
74 HD3 PRO 13 HD2 PRO 13 6.480 -2.285 -1.322
75 H GLU 14 H GLU 14 7.519 1.022 -1.164
76 HA GLU 14 HA GLU 14 9.014 3.303 -0.692
77 HB2 GLU 14 HB3 GLU 14 8.031 3.922 -2.953
78 HB3 GLU 14 HB2 GLU 14 9.034 2.476 -2.866
79 HG2 GLU 14 HG3 GLU 14 7.091 1.078 -2.931
80 HG3 GLU 14 HG2 GLU 14 6.019 2.453 -2.750
81 H ILE 15 H ILE 15 5.532 2.787 -0.638
82 HA ILE 15 HA ILE 15 5.239 5.684 -0.243
83 HB ILE 15 HB ILE 15 2.908 3.869 -0.939
84 HG12 ILE 15 HG13 ILE 15 4.600 5.470 -2.885
85 HG13 ILE 15 HG12 ILE 15 4.602 3.716 -2.752
86 HG21 ILE 15 HG21 ILE 15 2.396 6.072 0.010
87 HG22 ILE 15 HG22 ILE 15 1.914 6.002 -1.686
88 HG23 ILE 15 HG23 ILE 15 3.392 6.844 -1.224
89 HD11 ILE 15 HD11 ILE 15 2.250 5.412 -3.556
90 HD12 ILE 15 HD12 ILE 15 2.260 3.654 -3.430
91 HD13 ILE 15 HD13 ILE 15 3.260 4.454 -4.640
92 H CYS 16 H CYS 16 4.019 2.579 0.859
93 HA CYS 16 HA CYS 16 3.797 3.637 3.521
94 HB2 CYS 16 2HB CYS 16 1.658 2.400 1.926
95 HB3 CYS 16 1HB CYS 16 1.568 2.486 3.679
96 HN1 NH2 17 1H NH2 17 2.360 0.627 2.377
97 HN2 NH2 17 2H NH2 17 3.533 -0.415 3.068
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -4.485 6.439 -3.051
2 H2 GLY 1 H2 GLY 1 -5.308 5.737 -4.338
3 H3 GLY 1 H3 GLY 1 -4.383 7.132 -4.595
4 HA2 GLY 1 HA2 GLY 1 -3.214 5.164 -5.374
5 HA3 GLY 1 HA3 GLY 1 -2.383 5.855 -3.977
6 H CYS 2 H CYS 2 -1.801 3.288 -4.408
7 HA CYS 2 HA CYS 2 -3.620 1.437 -3.465
8 HB2 CYS 2 HB3 CYS 2 -0.873 1.523 -4.153
9 HB3 CYS 2 HB2 CYS 2 -1.345 0.150 -3.163
10 H CYS 3 H CYS 3 -1.552 3.467 -1.730
11 HA CYS 3 HA CYS 3 -1.458 1.768 0.486
12 HB2 CYS 3 HB3 CYS 3 -0.708 4.535 0.007
13 HB3 CYS 3 HB2 CYS 3 -1.133 4.106 1.662
14 H SER 4 H SER 4 -3.788 3.902 -0.552
15 HA SER 4 HA SER 4 -5.387 3.851 1.831
16 HB2 SER 4 HB3 SER 4 -6.287 4.325 -1.011
17 HB3 SER 4 HB2 SER 4 -7.103 4.859 0.463
18 HG SER 4 HG SER 4 -5.434 6.244 0.877
19 H HIS 5 H HIS 5 -4.486 1.383 -0.141
20 HA HIS 5 HA HIS 5 -6.991 -0.115 0.117
21 HB2 HIS 5 HB3 HIS 5 -4.877 -0.214 -2.039
22 HB3 HIS 5 HB2 HIS 5 -6.232 -1.337 -1.935
23 HD1 HIS 5 HD1 HIS 5 -8.494 -0.516 -2.867
24 HD2 HIS 5 HD2 HIS 5 -5.545 2.399 -2.846
25 HE1 HIS 5 HE1 HIS 5 -9.385 1.392 -4.254
26 HA PRO 6 HA PRO 6 -4.387 -2.136 3.205
27 HB2 PRO 6 HB2 PRO 6 -6.399 -4.281 2.688
28 HB3 PRO 6 HB3 PRO 6 -5.780 -3.669 4.228
29 HG2 PRO 6 HG3 PRO 6 -8.155 -2.887 3.374
30 HG3 PRO 6 HG2 PRO 6 -7.047 -1.716 4.110
31 HD2 PRO 6 HD3 PRO 6 -7.774 -2.093 1.244
32 HD3 PRO 6 HD2 PRO 6 -7.394 -0.601 2.130
33 H ALA 7 H ALA 7 -5.486 -4.261 0.547
34 HA ALA 7 HA ALA 7 -3.242 -5.988 0.919
35 HB1 ALA 7 HB1 ALA 7 -5.117 -5.988 -1.437
36 HB2 ALA 7 HB2 ALA 7 -5.408 -6.831 0.083
37 HB3 ALA 7 HB3 ALA 7 -4.044 -7.291 -0.934
38 H CYS 8 H CYS 8 -3.862 -3.319 -1.240
39 HA CYS 8 HA CYS 8 -1.589 -3.942 -2.946
40 HB2 CYS 8 HB3 CYS 8 -3.804 -2.704 -3.621
41 HB3 CYS 8 HB2 CYS 8 -3.021 -1.309 -2.881
42 H ASN 9 H ASN 9 -2.233 -2.254 -0.114
43 HA ASN 9 HA ASN 9 -0.272 -0.272 0.089
44 HB2 ASN 9 HB3 ASN 9 -2.186 -0.896 1.661
45 HB3 ASN 9 HB2 ASN 9 -1.107 -2.151 2.229
46 HD21 ASN 9 HD22 ASN 9 -1.873 1.129 2.354
47 HD22 ASN 9 HD21 ASN 9 -0.680 1.620 3.498
48 H VAL 10 H VAL 10 -0.260 -3.648 0.664
49 HA VAL 10 HA VAL 10 2.130 -4.045 2.016
50 HB VAL 10 HB VAL 10 0.708 -5.938 0.176
51 HG11 VAL 10 HG11 VAL 10 1.816 -7.744 1.457
52 HG12 VAL 10 HG12 VAL 10 2.748 -6.526 2.331
53 HG13 VAL 10 HG13 VAL 10 2.979 -6.735 0.597
54 HG21 VAL 10 HG21 VAL 10 -0.729 -5.154 1.937
55 HG22 VAL 10 HG22 VAL 10 0.505 -5.522 3.146
56 HG23 VAL 10 HG23 VAL 10 -0.268 -6.828 2.254
57 H ASP 11 H ASP 11 1.644 -3.771 -1.497
58 HA ASP 11 HA ASP 11 4.409 -4.576 -1.743
59 HB2 ASP 11 HB3 ASP 11 4.120 -4.844 -4.128
60 HB3 ASP 11 HB2 ASP 11 2.881 -5.736 -3.264
61 H HIS 12 H HIS 12 3.029 -1.736 -1.174
62 HA HIS 12 HA HIS 12 5.049 -0.388 -2.742
63 HB2 HIS 12 HB3 HIS 12 2.414 0.555 -1.763
64 HB3 HIS 12 HB2 HIS 12 3.667 1.636 -2.290
65 HD1 HIS 12 HD1 HIS 12 4.280 1.507 -4.959
66 HD2 HIS 12 HD2 HIS 12 0.929 -0.646 -3.721
67 HE1 HIS 12 HE1 HIS 12 2.978 0.999 -7.040
68 HA PRO 13 HA PRO 13 6.291 0.167 1.722
69 HB2 PRO 13 HB2 PRO 13 9.000 -0.352 0.706
70 HB3 PRO 13 HB3 PRO 13 8.146 -1.143 2.033
71 HG2 PRO 13 HG3 PRO 13 8.631 -2.418 -0.273
72 HG3 PRO 13 HG2 PRO 13 7.136 -2.687 0.643
73 HD2 PRO 13 HD3 PRO 13 7.580 -0.975 -1.781
74 HD3 PRO 13 HD2 PRO 13 6.254 -2.100 -1.429
75 H GLU 14 H GLU 14 7.019 1.443 -1.289
76 HA GLU 14 HA GLU 14 8.806 3.500 -0.738
77 HB2 GLU 14 HB3 GLU 14 7.961 4.427 -2.818
78 HB3 GLU 14 HB2 GLU 14 8.283 2.715 -2.988
79 HG2 GLU 14 HG3 GLU 14 5.842 2.303 -2.669
80 HG3 GLU 14 HG2 GLU 14 5.625 4.054 -2.663
81 H ILE 15 H ILE 15 5.376 3.139 -0.249
82 HA ILE 15 HA ILE 15 5.223 5.913 0.724
83 HB ILE 15 HB ILE 15 2.896 4.042 0.236
84 HG12 ILE 15 HG13 ILE 15 3.891 4.420 -1.934
85 HG13 ILE 15 HG12 ILE 15 2.412 5.343 -1.794
86 HG21 ILE 15 HG21 ILE 15 1.548 6.096 0.303
87 HG22 ILE 15 HG22 ILE 15 3.012 7.021 0.644
88 HG23 ILE 15 HG23 ILE 15 2.437 5.824 1.805
89 HD11 ILE 15 HD11 ILE 15 3.687 7.375 -1.375
90 HD12 ILE 15 HD12 ILE 15 4.137 6.617 -2.906
91 HD13 ILE 15 HD13 ILE 15 5.188 6.446 -1.499
92 H CYS 16 H CYS 16 3.998 2.721 1.329
93 HA CYS 16 HA CYS 16 3.916 3.267 4.186
94 HB2 CYS 16 2HB CYS 16 2.584 1.238 2.507
95 HB3 CYS 16 1HB CYS 16 2.286 1.461 4.232
96 HN1 NH2 17 1H NH2 17 6.001 2.736 4.726
97 HN2 NH2 17 2H NH2 17 6.698 1.172 4.509
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -4.996 5.828 -2.352
2 H2 GLY 1 H2 GLY 1 -6.159 5.217 -3.406
3 H3 GLY 1 H3 GLY 1 -5.457 6.720 -3.705
4 HA2 GLY 1 HA2 GLY 1 -4.557 4.950 -5.133
5 HA3 GLY 1 HA3 GLY 1 -3.323 5.638 -4.075
6 H CYS 2 H CYS 2 -2.246 3.482 -4.425
7 HA CYS 2 HA CYS 2 -3.503 1.191 -3.570
8 HB2 CYS 2 HB3 CYS 2 -0.912 1.980 -4.396
9 HB3 CYS 2 HB2 CYS 2 -0.929 0.514 -3.415
10 H CYS 3 H CYS 3 -1.859 3.562 -1.812
11 HA CYS 3 HA CYS 3 -1.460 1.853 0.396
12 HB2 CYS 3 HB3 CYS 3 -1.147 4.731 -0.078
13 HB3 CYS 3 HB2 CYS 3 -1.333 4.188 1.581
14 H SER 4 H SER 4 -3.957 3.889 -0.608
15 HA SER 4 HA SER 4 -5.540 3.804 1.773
16 HB2 SER 4 HB3 SER 4 -6.549 4.088 -1.071
17 HB3 SER 4 HB2 SER 4 -7.314 4.690 0.404
18 HG SER 4 HG SER 4 -5.543 6.092 0.673
19 H HIS 5 H HIS 5 -4.829 1.582 -0.680
20 HA HIS 5 HA HIS 5 -7.026 -0.248 -0.094
21 HB2 HIS 5 HB3 HIS 5 -4.881 -0.098 -2.183
22 HB3 HIS 5 HB2 HIS 5 -5.777 -1.585 -1.954
23 HD1 HIS 5 HD1 HIS 5 -7.828 -1.777 -3.391
24 HD2 HIS 5 HD2 HIS 5 -6.647 2.166 -2.837
25 HE1 HIS 5 HE1 HIS 5 -9.346 -0.389 -4.854
26 HA PRO 6 HA PRO 6 -4.163 -1.852 3.096
27 HB2 PRO 6 HB2 PRO 6 -6.241 -4.000 2.917
28 HB3 PRO 6 HB3 PRO 6 -5.508 -3.269 4.352
29 HG2 PRO 6 HG3 PRO 6 -7.925 -2.512 3.641
30 HG3 PRO 6 HG2 PRO 6 -6.737 -1.291 4.125
31 HD2 PRO 6 HD3 PRO 6 -7.684 -2.021 1.385
32 HD3 PRO 6 HD2 PRO 6 -7.306 -0.424 2.062
33 H ALA 7 H ALA 7 -5.452 -3.794 0.432
34 HA ALA 7 HA ALA 7 -3.499 -5.851 0.692
35 HB1 ALA 7 HB1 ALA 7 -4.380 -6.746 -1.364
36 HB2 ALA 7 HB2 ALA 7 -5.205 -5.230 -1.706
37 HB3 ALA 7 HB3 ALA 7 -5.717 -6.218 -0.338
38 H CYS 8 H CYS 8 -3.773 -2.993 -1.368
39 HA CYS 8 HA CYS 8 -1.426 -3.739 -2.934
40 HB2 CYS 8 HB3 CYS 8 -3.559 -2.424 -3.729
41 HB3 CYS 8 HB2 CYS 8 -2.748 -1.053 -2.984
42 H ASN 9 H ASN 9 -2.071 -2.218 -0.078
43 HA ASN 9 HA ASN 9 -0.227 -0.134 0.166
44 HB2 ASN 9 HB3 ASN 9 -2.118 -0.796 1.702
45 HB3 ASN 9 HB2 ASN 9 -1.050 -2.067 2.256
46 HD21 ASN 9 HD22 ASN 9 -1.678 1.269 2.290
47 HD22 ASN 9 HD21 ASN 9 -0.546 1.730 3.511
48 H VAL 10 H VAL 10 -0.047 -3.494 0.849
49 HA VAL 10 HA VAL 10 2.453 -3.606 2.122
50 HB VAL 10 HB VAL 10 1.086 -5.797 0.594
51 HG11 VAL 10 HG11 VAL 10 3.157 -5.967 2.783
52 HG12 VAL 10 HG12 VAL 10 3.397 -6.373 1.084
53 HG13 VAL 10 HG13 VAL 10 2.308 -7.344 2.077
54 HG21 VAL 10 HG21 VAL 10 0.841 -5.041 3.500
55 HG22 VAL 10 HG22 VAL 10 0.133 -6.478 2.764
56 HG23 VAL 10 HG23 VAL 10 -0.406 -4.874 2.265
57 H ASP 11 H ASP 11 1.648 -3.760 -1.319
58 HA ASP 11 HA ASP 11 4.393 -4.449 -1.859
59 HB2 ASP 11 HB3 ASP 11 3.765 -4.669 -4.257
60 HB3 ASP 11 HB2 ASP 11 2.845 -5.714 -3.198
61 H HIS 12 H HIS 12 3.085 -1.650 -1.113
62 HA HIS 12 HA HIS 12 5.009 -0.247 -2.771
63 HB2 HIS 12 HB3 HIS 12 2.431 0.578 -1.571
64 HB3 HIS 12 HB2 HIS 12 3.636 1.759 -2.020
65 HD1 HIS 12 HD1 HIS 12 3.740 2.365 -4.560
66 HD2 HIS 12 HD2 HIS 12 1.265 -0.867 -3.714
67 HE1 HIS 12 HE1 HIS 12 2.428 1.949 -6.636
68 HA PRO 13 HA PRO 13 6.287 -0.352 1.715
69 HB2 PRO 13 HB2 PRO 13 8.981 -0.951 0.828
70 HB3 PRO 13 HB3 PRO 13 7.897 -1.956 1.789
71 HG2 PRO 13 HG3 PRO 13 8.630 -2.543 -0.769
72 HG3 PRO 13 HG2 PRO 13 7.098 -3.067 -0.053
73 HD2 PRO 13 HD3 PRO 13 7.649 -0.786 -1.909
74 HD3 PRO 13 HD2 PRO 13 6.282 -1.924 -1.889
75 H GLU 14 H GLU 14 7.434 1.300 -0.991
76 HA GLU 14 HA GLU 14 9.186 3.040 0.426
77 HB2 GLU 14 HB3 GLU 14 9.296 4.160 -1.766
78 HB3 GLU 14 HB2 GLU 14 9.823 2.482 -1.777
79 HG2 GLU 14 HG3 GLU 14 7.603 1.881 -2.724
80 HG3 GLU 14 HG2 GLU 14 7.209 3.601 -2.780
81 H ILE 15 H ILE 15 5.856 2.915 -0.315
82 HA ILE 15 HA ILE 15 5.566 5.759 0.342
83 HB ILE 15 HB ILE 15 3.358 3.885 -0.577
84 HG12 ILE 15 HG13 ILE 15 5.038 5.761 -2.279
85 HG13 ILE 15 HG12 ILE 15 5.044 4.000 -2.337
86 HG21 ILE 15 HG21 ILE 15 2.184 5.982 -1.112
87 HG22 ILE 15 HG22 ILE 15 3.563 6.903 -0.513
88 HG23 ILE 15 HG23 ILE 15 2.623 5.903 0.595
89 HD11 ILE 15 HD11 ILE 15 2.691 5.743 -3.017
90 HD12 ILE 15 HD12 ILE 15 2.762 3.986 -3.137
91 HD13 ILE 15 HD13 ILE 15 3.776 4.986 -4.181
92 H CYS 16 H CYS 16 4.470 2.533 1.105
93 HA CYS 16 HA CYS 16 3.894 3.363 3.820
94 HB2 CYS 16 2HB CYS 16 2.374 1.620 2.003
95 HB3 CYS 16 1HB CYS 16 2.056 1.723 3.731
96 HN1 NH2 17 1H NH2 17 5.897 2.490 4.418
97 HN2 NH2 17 2H NH2 17 6.213 0.784 4.423
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -5.825 6.136 -3.381
2 H2 GLY 1 H2 GLY 1 -5.424 5.442 -4.877
3 H3 GLY 1 H3 GLY 1 -5.173 7.093 -4.622
4 HA2 GLY 1 HA2 GLY 1 -3.129 5.841 -4.489
5 HA3 GLY 1 HA3 GLY 1 -3.535 6.564 -2.937
6 H CYS 2 H CYS 2 -2.061 4.042 -3.874
7 HA CYS 2 HA CYS 2 -3.550 1.841 -3.150
8 HB2 CYS 2 HB3 CYS 2 -0.839 2.478 -3.676
9 HB3 CYS 2 HB2 CYS 2 -1.099 0.950 -2.840
10 H CYS 3 H CYS 3 -2.010 4.102 -1.210
11 HA CYS 3 HA CYS 3 -1.499 2.414 0.932
12 HB2 CYS 3 HB3 CYS 3 -1.980 5.333 0.728
13 HB3 CYS 3 HB2 CYS 3 -1.684 4.556 2.270
14 H SER 4 H SER 4 -4.263 4.075 -0.011
15 HA SER 4 HA SER 4 -5.872 3.258 2.244
16 HB2 SER 4 HB3 SER 4 -6.677 4.405 -0.433
17 HB3 SER 4 HB2 SER 4 -7.745 4.242 0.964
18 HG SER 4 HG SER 4 -5.969 5.425 2.066
19 H HIS 5 H HIS 5 -4.547 1.483 -0.049
20 HA HIS 5 HA HIS 5 -6.742 -0.461 -0.260
21 HB2 HIS 5 HB3 HIS 5 -4.530 0.295 -2.105
22 HB3 HIS 5 HB2 HIS 5 -5.375 -1.238 -2.310
23 HD1 HIS 5 HD1 HIS 5 -7.564 -1.132 -3.653
24 HD2 HIS 5 HD2 HIS 5 -6.134 2.624 -2.591
25 HE1 HIS 5 HE1 HIS 5 -9.012 0.521 -4.868
26 HA PRO 6 HA PRO 6 -3.574 -2.149 2.681
27 HB2 PRO 6 HB2 PRO 6 -5.606 -4.333 2.511
28 HB3 PRO 6 HB3 PRO 6 -4.773 -3.691 3.931
29 HG2 PRO 6 HG3 PRO 6 -7.277 -2.975 3.441
30 HG3 PRO 6 HG2 PRO 6 -6.099 -1.780 4.011
31 HD2 PRO 6 HD3 PRO 6 -7.249 -2.150 1.291
32 HD3 PRO 6 HD2 PRO 6 -6.748 -0.662 2.116
33 H ALA 7 H ALA 7 -5.113 -4.060 0.111
34 HA ALA 7 HA ALA 7 -3.092 -6.040 -0.016
35 HB1 ALA 7 HB1 ALA 7 -5.113 -5.287 -2.119
36 HB2 ALA 7 HB2 ALA 7 -5.366 -6.446 -0.815
37 HB3 ALA 7 HB3 ALA 7 -4.171 -6.775 -2.068
38 H CYS 8 H CYS 8 -3.314 -2.885 -1.431
39 HA CYS 8 HA CYS 8 -1.164 -3.482 -3.354
40 HB2 CYS 8 HB3 CYS 8 -3.245 -2.057 -3.924
41 HB3 CYS 8 HB2 CYS 8 -2.528 -0.862 -2.848
42 H ASN 9 H ASN 9 -1.795 -2.140 -0.316
43 HA ASN 9 HA ASN 9 0.380 -0.283 -0.131
44 HB2 ASN 9 HB3 ASN 9 -1.847 -0.308 1.110
45 HB3 ASN 9 HB2 ASN 9 -1.129 -1.593 2.048
46 HD21 ASN 9 HD22 ASN 9 -2.043 1.037 2.772
47 HD22 ASN 9 HD21 ASN 9 -0.751 1.794 3.636
48 H VAL 10 H VAL 10 -0.364 -3.480 0.893
49 HA VAL 10 HA VAL 10 1.828 -3.973 2.537
50 HB VAL 10 HB VAL 10 -0.241 -5.351 2.472
51 HG11 VAL 10 HG11 VAL 10 -0.453 -7.195 0.890
52 HG12 VAL 10 HG12 VAL 10 0.933 -6.569 -0.001
53 HG13 VAL 10 HG13 VAL 10 -0.545 -5.615 0.110
54 HG21 VAL 10 HG21 VAL 10 2.319 -6.909 2.196
55 HG22 VAL 10 HG22 VAL 10 0.825 -7.514 2.907
56 HG23 VAL 10 HG23 VAL 10 1.689 -6.183 3.676
57 H ASP 11 H ASP 11 1.723 -3.912 -0.950
58 HA ASP 11 HA ASP 11 4.412 -5.022 -0.861
59 HB2 ASP 11 HB3 ASP 11 4.296 -5.718 -3.147
60 HB3 ASP 11 HB2 ASP 11 2.900 -6.348 -2.292
61 H HIS 12 H HIS 12 3.099 -2.108 -0.842
62 HA HIS 12 HA HIS 12 5.321 -1.069 -2.370
63 HB2 HIS 12 HB3 HIS 12 2.593 -0.057 -1.962
64 HB3 HIS 12 HB2 HIS 12 3.893 1.060 -2.315
65 HD1 HIS 12 HD1 HIS 12 5.219 0.238 -4.799
66 HD2 HIS 12 HD2 HIS 12 1.297 -0.945 -4.044
67 HE1 HIS 12 HE1 HIS 12 4.237 -0.316 -7.020
68 HA PRO 13 HA PRO 13 6.030 0.138 2.059
69 HB2 PRO 13 HB2 PRO 13 8.659 -0.433 2.135
70 HB3 PRO 13 HB3 PRO 13 7.447 -1.697 2.371
71 HG2 PRO 13 HG3 PRO 13 9.005 -1.000 -0.088
72 HG3 PRO 13 HG2 PRO 13 8.652 -2.601 0.585
73 HD2 PRO 13 HD3 PRO 13 7.271 -1.530 -1.490
74 HD3 PRO 13 HD2 PRO 13 6.532 -2.644 -0.323
75 H GLU 14 H GLU 14 7.229 0.860 -0.957
76 HA GLU 14 HA GLU 14 8.952 3.014 -0.477
77 HB2 GLU 14 HB3 GLU 14 8.657 3.363 -2.859
78 HB3 GLU 14 HB2 GLU 14 8.960 1.666 -2.503
79 HG2 GLU 14 HG3 GLU 14 6.481 1.297 -2.655
80 HG3 GLU 14 HG2 GLU 14 6.355 2.971 -3.187
81 H ILE 15 H ILE 15 5.473 2.632 -0.751
82 HA ILE 15 HA ILE 15 5.137 5.538 -0.843
83 HB ILE 15 HB ILE 15 2.927 3.461 -1.065
84 HG12 ILE 15 HG13 ILE 15 4.431 3.084 -2.951
85 HG13 ILE 15 HG12 ILE 15 2.956 3.844 -3.501
86 HG21 ILE 15 HG21 ILE 15 2.182 5.695 -0.447
87 HG22 ILE 15 HG22 ILE 15 1.664 5.302 -2.089
88 HG23 ILE 15 HG23 ILE 15 3.037 6.376 -1.832
89 HD11 ILE 15 HD11 ILE 15 4.092 6.005 -3.640
90 HD12 ILE 15 HD12 ILE 15 4.892 4.784 -4.632
91 HD13 ILE 15 HD13 ILE 15 5.587 5.253 -3.081
92 H CYS 16 H CYS 16 3.861 2.733 0.825
93 HA CYS 16 HA CYS 16 3.923 4.246 3.285
94 HB2 CYS 16 2HB CYS 16 1.742 2.607 2.188
95 HB3 CYS 16 1HB CYS 16 1.836 2.907 3.921
96 HN1 NH2 17 1H NH2 17 2.801 0.923 2.749
97 HN2 NH2 17 2H NH2 17 4.148 0.191 3.537
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -5.909 6.973 -3.883
2 H2 GLY 1 H2 GLY 1 -5.572 6.250 -2.399
3 H3 GLY 1 H3 GLY 1 -6.446 5.404 -3.557
4 HA2 GLY 1 HA2 GLY 1 -4.521 5.339 -4.995
5 HA3 GLY 1 HA3 GLY 1 -3.607 6.147 -3.726
6 H CYS 2 H CYS 2 -2.435 3.904 -4.240
7 HA CYS 2 HA CYS 2 -3.587 1.570 -3.349
8 HB2 CYS 2 HB3 CYS 2 -1.017 2.500 -4.089
9 HB3 CYS 2 HB2 CYS 2 -0.990 1.017 -3.139
10 H CYS 3 H CYS 3 -2.185 4.055 -1.560
11 HA CYS 3 HA CYS 3 -1.489 2.469 0.630
12 HB2 CYS 3 HB3 CYS 3 -1.889 5.371 0.237
13 HB3 CYS 3 HB2 CYS 3 -1.663 4.714 1.847
14 H SER 4 H SER 4 -4.327 4.040 -0.252
15 HA SER 4 HA SER 4 -5.789 3.391 2.156
16 HB2 SER 4 HB3 SER 4 -6.857 4.212 -0.551
17 HB3 SER 4 HB2 SER 4 -7.729 4.282 0.983
18 HG SER 4 HG SER 4 -6.672 5.996 1.546
19 H HIS 5 H HIS 5 -4.641 1.569 -0.292
20 HA HIS 5 HA HIS 5 -6.832 -0.373 -0.291
21 HB2 HIS 5 HB3 HIS 5 -4.588 0.225 -2.163
22 HB3 HIS 5 HB2 HIS 5 -5.399 -1.331 -2.253
23 HD1 HIS 5 HD1 HIS 5 -7.244 -1.347 -3.974
24 HD2 HIS 5 HD2 HIS 5 -6.601 2.447 -2.425
25 HE1 HIS 5 HE1 HIS 5 -8.827 0.174 -5.198
26 HA PRO 6 HA PRO 6 -4.161 -2.131 2.943
27 HB2 PRO 6 HB2 PRO 6 -6.063 -4.357 2.338
28 HB3 PRO 6 HB3 PRO 6 -5.504 -3.755 3.904
29 HG2 PRO 6 HG3 PRO 6 -7.894 -3.072 3.022
30 HG3 PRO 6 HG2 PRO 6 -6.857 -1.871 3.813
31 HD2 PRO 6 HD3 PRO 6 -7.516 -2.192 0.925
32 HD3 PRO 6 HD2 PRO 6 -7.206 -0.715 1.860
33 H ALA 7 H ALA 7 -5.130 -4.046 0.113
34 HA ALA 7 HA ALA 7 -2.969 -5.884 0.434
35 HB1 ALA 7 HB1 ALA 7 -3.684 -6.873 -1.653
36 HB2 ALA 7 HB2 ALA 7 -4.719 -5.486 -1.984
37 HB3 ALA 7 HB3 ALA 7 -5.079 -6.550 -0.624
38 H CYS 8 H CYS 8 -3.440 -2.994 -1.476
39 HA CYS 8 HA CYS 8 -1.073 -3.504 -3.109
40 HB2 CYS 8 HB3 CYS 8 -3.198 -2.281 -3.920
41 HB3 CYS 8 HB2 CYS 8 -2.632 -0.931 -2.938
42 H ASN 9 H ASN 9 -1.905 -1.970 -0.215
43 HA ASN 9 HA ASN 9 0.041 0.025 0.056
44 HB2 ASN 9 HB3 ASN 9 -1.998 -0.453 1.514
45 HB3 ASN 9 HB2 ASN 9 -1.024 -1.744 2.187
46 HD21 ASN 9 HD22 ASN 9 -1.672 1.559 2.249
47 HD22 ASN 9 HD21 ASN 9 -0.522 2.011 3.462
48 H VAL 10 H VAL 10 -0.069 -3.306 0.930
49 HA VAL 10 HA VAL 10 2.323 -3.513 2.373
50 HB VAL 10 HB VAL 10 0.854 -5.679 0.902
51 HG11 VAL 10 HG11 VAL 10 3.114 -6.395 1.489
52 HG12 VAL 10 HG12 VAL 10 1.928 -7.233 2.490
53 HG13 VAL 10 HG13 VAL 10 2.854 -5.890 3.159
54 HG21 VAL 10 HG21 VAL 10 -0.175 -6.167 3.095
55 HG22 VAL 10 HG22 VAL 10 -0.587 -4.562 2.492
56 HG23 VAL 10 HG23 VAL 10 0.627 -4.744 3.757
57 H ASP 11 H ASP 11 1.705 -3.985 -1.097
58 HA ASP 11 HA ASP 11 4.442 -4.834 -1.392
59 HB2 ASP 11 HB3 ASP 11 3.992 -5.293 -3.751
60 HB3 ASP 11 HB2 ASP 11 2.820 -6.081 -2.717
61 H HIS 12 H HIS 12 3.137 -1.937 -1.088
62 HA HIS 12 HA HIS 12 5.290 -0.748 -2.642
63 HB2 HIS 12 HB3 HIS 12 2.625 0.234 -1.826
64 HB3 HIS 12 HB2 HIS 12 3.906 1.358 -2.221
65 HD1 HIS 12 HD1 HIS 12 4.695 1.229 -4.883
66 HD2 HIS 12 HD2 HIS 12 1.201 -0.775 -3.835
67 HE1 HIS 12 HE1 HIS 12 3.455 0.876 -7.018
68 HA PRO 13 HA PRO 13 6.008 -0.370 1.973
69 HB2 PRO 13 HB2 PRO 13 8.806 -1.017 1.366
70 HB3 PRO 13 HB3 PRO 13 7.693 -1.841 2.461
71 HG2 PRO 13 HG3 PRO 13 8.491 -2.977 0.164
72 HG3 PRO 13 HG2 PRO 13 6.857 -3.213 0.810
73 HD2 PRO 13 HD3 PRO 13 7.788 -1.337 -1.328
74 HD3 PRO 13 HD2 PRO 13 6.373 -2.421 -1.336
75 H GLU 14 H GLU 14 7.670 0.774 -0.740
76 HA GLU 14 HA GLU 14 9.141 2.827 0.507
77 HB2 GLU 14 HB3 GLU 14 9.438 3.569 -1.850
78 HB3 GLU 14 HB2 GLU 14 9.989 1.934 -1.513
79 HG2 GLU 14 HG3 GLU 14 7.819 1.123 -2.494
80 HG3 GLU 14 HG2 GLU 14 7.484 2.792 -2.950
81 H ILE 15 H ILE 15 5.905 2.526 -0.699
82 HA ILE 15 HA ILE 15 5.534 5.417 -0.566
83 HB ILE 15 HB ILE 15 3.490 3.316 -1.393
84 HG12 ILE 15 HG13 ILE 15 5.193 5.154 -3.092
85 HG13 ILE 15 HG12 ILE 15 5.342 3.403 -2.994
86 HG21 ILE 15 HG21 ILE 15 3.456 6.325 -1.670
87 HG22 ILE 15 HG22 ILE 15 2.490 5.384 -0.533
88 HG23 ILE 15 HG23 ILE 15 2.217 5.223 -2.269
89 HD11 ILE 15 HD11 ILE 15 2.962 4.909 -4.066
90 HD12 ILE 15 HD12 ILE 15 3.130 3.156 -3.999
91 HD13 ILE 15 HD13 ILE 15 4.193 4.107 -5.039
92 H CYS 16 H CYS 16 4.254 2.458 0.780
93 HA CYS 16 HA CYS 16 3.729 3.895 3.198
94 HB2 CYS 16 2HB CYS 16 1.808 2.404 1.590
95 HB3 CYS 16 1HB CYS 16 1.595 2.414 3.341
96 HN1 NH2 17 1H NH2 17 3.060 0.553 2.110
97 HN2 NH2 17 2H NH2 17 4.068 -0.161 3.306
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -5.806 5.625 -3.400
2 H2 GLY 1 H2 GLY 1 -4.862 7.025 -3.706
3 H3 GLY 1 H3 GLY 1 -4.541 6.051 -2.376
4 HA2 GLY 1 HA2 GLY 1 -4.283 5.147 -5.164
5 HA3 GLY 1 HA3 GLY 1 -2.953 5.686 -4.140
6 H CYS 2 H CYS 2 -2.042 3.528 -4.418
7 HA CYS 2 HA CYS 2 -3.414 1.263 -3.723
8 HB2 CYS 2 HB3 CYS 2 -0.736 2.016 -4.285
9 HB3 CYS 2 HB2 CYS 2 -0.871 0.543 -3.325
10 H CYS 3 H CYS 3 -1.598 3.409 -1.803
11 HA CYS 3 HA CYS 3 -1.554 1.648 0.395
12 HB2 CYS 3 HB3 CYS 3 -0.759 4.409 -0.044
13 HB3 CYS 3 HB2 CYS 3 -1.220 3.966 1.597
14 H SER 4 H SER 4 -3.823 3.805 -0.701
15 HA SER 4 HA SER 4 -5.440 3.871 1.651
16 HB2 SER 4 HB3 SER 4 -6.339 4.177 -1.224
17 HB3 SER 4 HB2 SER 4 -7.187 4.759 0.212
18 HG SER 4 HG SER 4 -4.841 5.741 0.450
19 H HIS 5 H HIS 5 -4.691 1.410 -0.527
20 HA HIS 5 HA HIS 5 -7.071 -0.162 0.116
21 HB2 HIS 5 HB3 HIS 5 -5.037 -0.321 -2.086
22 HB3 HIS 5 HB2 HIS 5 -6.172 -1.630 -1.779
23 HD1 HIS 5 HD1 HIS 5 -8.377 -1.444 -3.011
24 HD2 HIS 5 HD2 HIS 5 -6.352 2.181 -2.816
25 HE1 HIS 5 HE1 HIS 5 -9.679 0.160 -4.439
26 HA PRO 6 HA PRO 6 -4.341 -2.155 3.055
27 HB2 PRO 6 HB2 PRO 6 -5.845 -4.485 3.304
28 HB3 PRO 6 HB3 PRO 6 -6.074 -3.006 4.239
29 HG2 PRO 6 HG3 PRO 6 -7.541 -3.964 1.827
30 HG3 PRO 6 HG2 PRO 6 -8.160 -3.117 3.254
31 HD2 PRO 6 HD3 PRO 6 -7.782 -1.860 0.928
32 HD3 PRO 6 HD2 PRO 6 -7.470 -1.043 2.474
33 H ALA 7 H ALA 7 -5.461 -3.878 0.172
34 HA ALA 7 HA ALA 7 -3.510 -5.944 0.391
35 HB1 ALA 7 HB1 ALA 7 -5.616 -6.267 -0.833
36 HB2 ALA 7 HB2 ALA 7 -4.201 -6.640 -1.819
37 HB3 ALA 7 HB3 ALA 7 -5.064 -5.120 -2.057
38 H CYS 8 H CYS 8 -3.664 -2.960 -1.543
39 HA CYS 8 HA CYS 8 -1.168 -3.594 -2.902
40 HB2 CYS 8 HB3 CYS 8 -3.288 -2.283 -3.784
41 HB3 CYS 8 HB2 CYS 8 -2.487 -0.931 -2.995
42 H ASN 9 H ASN 9 -2.130 -2.055 -0.092
43 HA ASN 9 HA ASN 9 -0.239 -0.058 0.358
44 HB2 ASN 9 HB3 ASN 9 -2.268 -0.735 1.732
45 HB3 ASN 9 HB2 ASN 9 -1.253 -2.024 2.335
46 HD21 ASN 9 HD22 ASN 9 -1.880 1.314 2.436
47 HD22 ASN 9 HD21 ASN 9 -0.800 1.707 3.735
48 H VAL 10 H VAL 10 -0.204 -3.446 0.892
49 HA VAL 10 HA VAL 10 2.207 -3.727 2.318
50 HB VAL 10 HB VAL 10 0.884 -5.758 0.556
51 HG11 VAL 10 HG11 VAL 10 3.141 -6.412 1.183
52 HG12 VAL 10 HG12 VAL 10 1.956 -7.424 2.009
53 HG13 VAL 10 HG13 VAL 10 2.769 -6.126 2.885
54 HG21 VAL 10 HG21 VAL 10 0.442 -5.193 3.480
55 HG22 VAL 10 HG22 VAL 10 -0.247 -6.553 2.596
56 HG23 VAL 10 HG23 VAL 10 -0.707 -4.903 2.175
57 H ASP 11 H ASP 11 1.540 -3.848 -1.164
58 HA ASP 11 HA ASP 11 4.311 -4.491 -1.604
59 HB2 ASP 11 HB3 ASP 11 3.691 -4.680 -4.011
60 HB3 ASP 11 HB2 ASP 11 2.873 -5.808 -2.949
61 H HIS 12 H HIS 12 3.140 -1.724 -0.780
62 HA HIS 12 HA HIS 12 4.874 -0.323 -2.629
63 HB2 HIS 12 HB3 HIS 12 2.374 0.441 -1.300
64 HB3 HIS 12 HB2 HIS 12 3.569 1.698 -1.573
65 HD1 HIS 12 HD1 HIS 12 3.643 2.642 -4.016
66 HD2 HIS 12 HD2 HIS 12 1.368 -0.818 -3.605
67 HE1 HIS 12 HE1 HIS 12 2.517 2.294 -6.212
68 HA PRO 13 HA PRO 13 7.036 -0.339 1.510
69 HB2 PRO 13 HB2 PRO 13 9.394 -0.310 -0.274
70 HB3 PRO 13 HB3 PRO 13 9.054 -1.387 1.080
71 HG2 PRO 13 HG3 PRO 13 8.931 -2.282 -1.425
72 HG3 PRO 13 HG2 PRO 13 7.744 -2.811 -0.218
73 HD2 PRO 13 HD3 PRO 13 7.452 -0.742 -2.372
74 HD3 PRO 13 HD2 PRO 13 6.320 -2.019 -1.876
75 H GLU 14 H GLU 14 7.396 1.366 -1.389
76 HA GLU 14 HA GLU 14 9.007 3.490 -0.515
77 HB2 GLU 14 HB3 GLU 14 8.286 4.492 -2.638
78 HB3 GLU 14 HB2 GLU 14 8.979 2.885 -2.818
79 HG2 GLU 14 HG3 GLU 14 6.688 1.976 -3.014
80 HG3 GLU 14 HG2 GLU 14 6.066 3.618 -2.860
81 H ILE 15 H ILE 15 5.634 2.816 -0.201
82 HA ILE 15 HA ILE 15 5.147 5.644 0.475
83 HB ILE 15 HB ILE 15 2.980 3.631 -0.196
84 HG12 ILE 15 HG13 ILE 15 4.291 3.953 -2.237
85 HG13 ILE 15 HG12 ILE 15 2.733 4.732 -2.379
86 HG21 ILE 15 HG21 ILE 15 2.910 6.640 -0.033
87 HG22 ILE 15 HG22 ILE 15 2.267 5.521 1.170
88 HG23 ILE 15 HG23 ILE 15 1.547 5.597 -0.439
89 HD11 ILE 15 HD11 ILE 15 4.470 6.116 -3.340
90 HD12 ILE 15 HD12 ILE 15 5.336 6.125 -1.804
91 HD13 ILE 15 HD13 ILE 15 3.759 6.904 -1.930
92 H CYS 16 H CYS 16 4.315 2.349 1.323
93 HA CYS 16 HA CYS 16 3.897 3.213 4.065
94 HB2 CYS 16 2HB CYS 16 2.464 1.186 2.477
95 HB3 CYS 16 1HB CYS 16 2.180 1.464 4.194
96 HN1 NH2 17 1H NH2 17 3.926 -0.010 2.564
97 HN2 NH2 17 2H NH2 17 5.252 -0.604 3.490
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 -4.338 7.490 -4.029
2 H2 GLY 1 H2 GLY 1 -3.518 6.756 -2.758
3 H3 GLY 1 H3 GLY 1 -5.186 6.541 -2.912
4 HA2 GLY 1 HA2 GLY 1 -4.861 5.341 -4.954
5 HA3 GLY 1 HA3 GLY 1 -3.129 5.582 -4.785
6 H CYS 2 H CYS 2 -2.257 3.680 -4.284
7 HA CYS 2 HA CYS 2 -3.576 1.537 -3.244
8 HB2 CYS 2 HB3 CYS 2 -0.872 2.297 -3.748
9 HB3 CYS 2 HB2 CYS 2 -1.148 0.791 -2.874
10 H CYS 3 H CYS 3 -2.188 4.072 -1.520
11 HA CYS 3 HA CYS 3 -1.470 2.623 0.742
12 HB2 CYS 3 HB3 CYS 3 -2.079 5.485 0.278
13 HB3 CYS 3 HB2 CYS 3 -1.673 4.868 1.862
14 H SER 4 H SER 4 -4.376 4.036 -0.179
15 HA SER 4 HA SER 4 -5.699 3.355 2.330
16 HB2 SER 4 HB3 SER 4 -7.778 4.140 1.118
17 HB3 SER 4 HB2 SER 4 -6.502 5.350 1.281
18 HG SER 4 HG SER 4 -5.984 5.090 -0.815
19 H HIS 5 H HIS 5 -4.528 1.405 0.245
20 HA HIS 5 HA HIS 5 -6.797 -0.445 0.086
21 HB2 HIS 5 HB3 HIS 5 -4.632 0.221 -1.852
22 HB3 HIS 5 HB2 HIS 5 -5.482 -1.319 -1.975
23 HD1 HIS 5 HD1 HIS 5 -7.602 -1.252 -3.368
24 HD2 HIS 5 HD2 HIS 5 -6.383 2.522 -2.140
25 HE1 HIS 5 HE1 HIS 5 -9.175 0.368 -4.460
26 HA PRO 6 HA PRO 6 -3.905 -2.335 3.036
27 HB2 PRO 6 HB2 PRO 6 -5.883 -4.520 2.527
28 HB3 PRO 6 HB3 PRO 6 -5.171 -3.991 4.058
29 HG2 PRO 6 HG3 PRO 6 -7.608 -3.208 3.478
30 HG3 PRO 6 HG2 PRO 6 -6.449 -2.034 4.118
31 HD2 PRO 6 HD3 PRO 6 -7.391 -2.403 1.304
32 HD3 PRO 6 HD2 PRO 6 -7.063 -0.903 2.196
33 H ALA 7 H ALA 7 -5.125 -4.137 0.226
34 HA ALA 7 HA ALA 7 -3.029 -6.040 0.311
35 HB1 ALA 7 HB1 ALA 7 -5.192 -6.527 -0.740
36 HB2 ALA 7 HB2 ALA 7 -3.849 -6.801 -1.849
37 HB3 ALA 7 HB3 ALA 7 -4.836 -5.349 -2.003
38 H CYS 8 H CYS 8 -3.489 -3.039 -1.463
39 HA CYS 8 HA CYS 8 -1.084 -3.481 -3.043
40 HB2 CYS 8 HB3 CYS 8 -3.240 -2.267 -3.838
41 HB3 CYS 8 HB2 CYS 8 -2.648 -0.915 -2.890
42 H ASN 9 H ASN 9 -1.921 -2.105 -0.080
43 HA ASN 9 HA ASN 9 0.043 -0.110 0.258
44 HB2 ASN 9 HB3 ASN 9 -2.022 -0.726 1.700
45 HB3 ASN 9 HB2 ASN 9 -0.953 -1.935 2.374
46 HD21 ASN 9 HD22 ASN 9 -1.816 1.337 2.390
47 HD22 ASN 9 HD21 ASN 9 -0.706 1.887 3.576
48 H VAL 10 H VAL 10 -0.100 -3.500 0.773
49 HA VAL 10 HA VAL 10 2.247 -3.970 2.209
50 HB VAL 10 HB VAL 10 0.808 -5.821 0.335
51 HG11 VAL 10 HG11 VAL 10 3.077 -6.643 0.778
52 HG12 VAL 10 HG12 VAL 10 1.884 -7.664 1.579
53 HG13 VAL 10 HG13 VAL 10 2.803 -6.486 2.513
54 HG21 VAL 10 HG21 VAL 10 -0.613 -5.018 2.124
55 HG22 VAL 10 HG22 VAL 10 0.596 -5.486 3.320
56 HG23 VAL 10 HG23 VAL 10 -0.229 -6.722 2.368
57 H ASP 11 H ASP 11 1.741 -4.015 -1.343
58 HA ASP 11 HA ASP 11 4.504 -4.783 -1.624
59 HB2 ASP 11 HB3 ASP 11 4.107 -5.131 -4.000
60 HB3 ASP 11 HB2 ASP 11 2.916 -5.978 -3.034
61 H HIS 12 H HIS 12 3.153 -1.918 -1.189
62 HA HIS 12 HA HIS 12 5.300 -0.630 -2.676
63 HB2 HIS 12 HB3 HIS 12 2.697 0.382 -1.670
64 HB3 HIS 12 HB2 HIS 12 4.035 1.406 -2.141
65 HD1 HIS 12 HD1 HIS 12 4.670 1.253 -4.805
66 HD2 HIS 12 HD2 HIS 12 1.050 -0.405 -3.641
67 HE1 HIS 12 HE1 HIS 12 3.280 1.129 -6.890
68 HA PRO 13 HA PRO 13 6.133 -0.751 1.924
69 HB2 PRO 13 HB2 PRO 13 8.937 -1.074 1.076
70 HB3 PRO 13 HB3 PRO 13 7.981 -2.072 2.180
71 HG2 PRO 13 HG3 PRO 13 8.626 -2.970 -0.241
72 HG3 PRO 13 HG2 PRO 13 7.028 -3.295 0.456
73 HD2 PRO 13 HD3 PRO 13 7.809 -1.194 -1.543
74 HD3 PRO 13 HD2 PRO 13 6.435 -2.323 -1.577
75 H GLU 14 H GLU 14 7.645 1.107 -0.545
76 HA GLU 14 HA GLU 14 8.657 2.957 1.403
77 HB2 GLU 14 HB3 GLU 14 9.769 3.977 -0.434
78 HB3 GLU 14 HB2 GLU 14 10.193 2.275 -0.356
79 HG2 GLU 14 HG3 GLU 14 8.257 3.555 -2.301
80 HG3 GLU 14 HG2 GLU 14 9.927 3.146 -2.664
81 H ILE 15 H ILE 15 6.000 2.527 -0.732
82 HA ILE 15 HA ILE 15 5.501 5.413 -0.901
83 HB ILE 15 HB ILE 15 3.727 3.190 -1.966
84 HG12 ILE 15 HG13 ILE 15 5.943 3.035 -3.042
85 HG13 ILE 15 HG12 ILE 15 4.720 3.575 -4.182
86 HG21 ILE 15 HG21 ILE 15 2.773 4.888 -3.413
87 HG22 ILE 15 HG22 ILE 15 3.797 6.105 -2.656
88 HG23 ILE 15 HG23 ILE 15 2.565 5.276 -1.704
89 HD11 ILE 15 HD11 ILE 15 6.799 4.784 -4.476
90 HD12 ILE 15 HD12 ILE 15 6.745 5.317 -2.794
91 HD13 ILE 15 HD13 ILE 15 5.518 5.872 -3.935
92 H CYS 16 H CYS 16 4.115 2.505 0.373
93 HA CYS 16 HA CYS 16 2.370 4.097 2.062
94 HB2 CYS 16 2HB CYS 16 2.047 1.368 0.987
95 HB3 CYS 16 1HB CYS 16 0.872 2.168 2.028
96 HN1 NH2 17 1H NH2 17 3.340 0.670 2.146
97 HN2 NH2 17 2H NH2 17 4.039 0.738 3.718
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 -6.479 5.349 -4.267
2 H2 GLY 1 H2 GLY 1 -5.840 6.924 -4.369
3 H3 GLY 1 H3 GLY 1 -5.902 6.117 -2.899
4 HA2 GLY 1 HA2 GLY 1 -4.268 5.220 -5.166
5 HA3 GLY 1 HA3 GLY 1 -3.679 6.186 -3.819
6 H CYS 2 H CYS 2 -2.493 3.773 -4.268
7 HA CYS 2 HA CYS 2 -3.788 1.650 -3.126
8 HB2 CYS 2 HB3 CYS 2 -1.156 2.266 -4.005
9 HB3 CYS 2 HB2 CYS 2 -1.327 0.821 -3.009
10 H CYS 3 H CYS 3 -2.147 4.169 -1.667
11 HA CYS 3 HA CYS 3 -1.249 2.901 0.608
12 HB2 CYS 3 HB3 CYS 3 -2.079 5.679 0.040
13 HB3 CYS 3 HB2 CYS 3 -1.606 5.199 1.651
14 H SER 4 H SER 4 -4.332 4.035 -0.166
15 HA SER 4 HA SER 4 -5.378 3.205 2.441
16 HB2 SER 4 HB3 SER 4 -7.557 4.180 1.431
17 HB3 SER 4 HB2 SER 4 -6.265 5.304 1.859
18 HG SER 4 HG SER 4 -7.128 4.462 -0.687
19 H HIS 5 H HIS 5 -4.394 1.512 0.165
20 HA HIS 5 HA HIS 5 -6.705 -0.293 -0.126
21 HB2 HIS 5 HB3 HIS 5 -4.389 0.321 -1.891
22 HB3 HIS 5 HB2 HIS 5 -5.382 -1.095 -2.201
23 HD1 HIS 5 HD1 HIS 5 -5.233 0.778 -4.551
24 HD2 HIS 5 HD2 HIS 5 -7.985 1.347 -1.470
25 HE1 HIS 5 HE1 HIS 5 -7.014 2.243 -5.482
26 HA PRO 6 HA PRO 6 -3.625 -2.131 2.789
27 HB2 PRO 6 HB2 PRO 6 -5.711 -4.262 2.706
28 HB3 PRO 6 HB3 PRO 6 -4.880 -3.567 4.100
29 HG2 PRO 6 HG3 PRO 6 -7.369 -2.840 3.563
30 HG3 PRO 6 HG2 PRO 6 -6.179 -1.629 4.073
31 HD2 PRO 6 HD3 PRO 6 -7.273 -2.174 1.347
32 HD3 PRO 6 HD2 PRO 6 -6.851 -0.627 2.108
33 H ALA 7 H ALA 7 -5.279 -4.159 0.375
34 HA ALA 7 HA ALA 7 -3.197 -6.103 0.346
35 HB1 ALA 7 HB1 ALA 7 -5.527 -6.687 -0.184
36 HB2 ALA 7 HB2 ALA 7 -4.413 -7.156 -1.467
37 HB3 ALA 7 HB3 ALA 7 -5.422 -5.726 -1.660
38 H CYS 8 H CYS 8 -3.624 -3.124 -1.255
39 HA CYS 8 HA CYS 8 -1.730 -3.826 -3.398
40 HB2 CYS 8 HB3 CYS 8 -3.772 -2.244 -3.661
41 HB3 CYS 8 HB2 CYS 8 -2.778 -1.149 -2.687
42 H ASN 9 H ASN 9 -1.861 -2.433 -0.305
43 HA ASN 9 HA ASN 9 0.254 -0.496 -0.706
44 HB2 ASN 9 HB3 ASN 9 -1.918 -0.466 0.757
45 HB3 ASN 9 HB2 ASN 9 -0.908 -1.368 1.829
46 HD21 ASN 9 HD22 ASN 9 -1.290 0.284 3.177
47 HD22 ASN 9 HD21 ASN 9 -0.237 1.671 3.217
48 H VAL 10 H VAL 10 -0.241 -3.569 0.715
49 HA VAL 10 HA VAL 10 2.039 -3.804 2.283
50 HB VAL 10 HB VAL 10 0.264 -5.479 2.382
51 HG11 VAL 10 HG11 VAL 10 1.199 -6.399 -0.321
52 HG12 VAL 10 HG12 VAL 10 -0.342 -5.623 0.053
53 HG13 VAL 10 HG13 VAL 10 0.016 -7.228 0.693
54 HG21 VAL 10 HG21 VAL 10 2.897 -6.722 1.604
55 HG22 VAL 10 HG22 VAL 10 1.615 -7.528 2.506
56 HG23 VAL 10 HG23 VAL 10 2.460 -6.143 3.207
57 H ASP 11 H ASP 11 1.784 -4.038 -1.210
58 HA ASP 11 HA ASP 11 4.591 -4.798 -1.319
59 HB2 ASP 11 HB3 ASP 11 4.306 -5.266 -3.709
60 HB3 ASP 11 HB2 ASP 11 3.131 -6.150 -2.755
61 H HIS 12 H HIS 12 3.225 -2.014 -0.788
62 HA HIS 12 HA HIS 12 5.026 -0.568 -2.548
63 HB2 HIS 12 HB3 HIS 12 2.425 0.082 -1.294
64 HB3 HIS 12 HB2 HIS 12 3.523 1.368 -1.743
65 HD1 HIS 12 HD1 HIS 12 1.063 -1.067 -3.171
66 HD2 HIS 12 HD2 HIS 12 3.858 1.660 -4.520
67 HE1 HIS 12 HE1 HIS 12 0.518 -0.653 -5.581
68 HA PRO 13 HA PRO 13 6.407 -0.510 1.926
69 HB2 PRO 13 HB2 PRO 13 9.116 -0.965 0.959
70 HB3 PRO 13 HB3 PRO 13 8.152 -1.966 2.046
71 HG2 PRO 13 HG3 PRO 13 8.751 -2.739 -0.473
72 HG3 PRO 13 HG2 PRO 13 7.223 -3.174 0.312
73 HD2 PRO 13 HD3 PRO 13 7.776 -0.970 -1.647
74 HD3 PRO 13 HD2 PRO 13 6.433 -2.139 -1.624
75 H GLU 14 H GLU 14 7.895 1.057 -0.771
76 HA GLU 14 HA GLU 14 9.021 3.001 1.007
77 HB2 GLU 14 HB3 GLU 14 9.939 3.939 -1.069
78 HB3 GLU 14 HB2 GLU 14 10.581 2.357 -0.643
79 HG2 GLU 14 HG3 GLU 14 9.143 1.384 -2.363
80 HG3 GLU 14 HG2 GLU 14 8.500 2.987 -2.737
81 H ILE 15 H ILE 15 6.071 2.572 -0.128
82 HA ILE 15 HA ILE 15 5.662 5.425 -0.673
83 HB ILE 15 HB ILE 15 3.648 3.206 -1.111
84 HG12 ILE 15 HG13 ILE 15 5.546 2.857 -2.640
85 HG13 ILE 15 HG12 ILE 15 4.117 3.394 -3.515
86 HG21 ILE 15 HG21 ILE 15 3.702 6.064 -2.076
87 HG22 ILE 15 HG22 ILE 15 2.679 5.420 -0.794
88 HG23 ILE 15 HG23 ILE 15 2.456 4.872 -2.457
89 HD11 ILE 15 HD11 ILE 15 6.489 5.094 -2.776
90 HD12 ILE 15 HD12 ILE 15 5.048 5.649 -3.634
91 HD13 ILE 15 HD13 ILE 15 6.109 4.448 -4.374
92 H CYS 16 H CYS 16 3.872 2.821 0.880
93 HA CYS 16 HA CYS 16 3.583 4.547 3.172
94 HB2 CYS 16 2HB CYS 16 1.479 3.186 1.641
95 HB3 CYS 16 1HB CYS 16 1.221 3.640 3.328
96 HN1 NH2 17 1H NH2 17 5.059 3.317 4.267
97 HN2 NH2 17 2H NH2 17 4.738 1.694 4.779
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 -4.966 6.051 -2.568
2 H2 GLY 1 H2 GLY 1 -6.056 5.401 -3.664
3 H3 GLY 1 H3 GLY 1 -5.259 6.841 -4.039
4 HA2 GLY 1 HA2 GLY 1 -4.341 4.960 -5.242
5 HA3 GLY 1 HA3 GLY 1 -3.159 5.641 -4.127
6 H CYS 2 H CYS 2 -2.125 3.505 -4.184
7 HA CYS 2 HA CYS 2 -3.538 1.260 -3.413
8 HB2 CYS 2 HB3 CYS 2 -0.825 1.983 -3.944
9 HB3 CYS 2 HB2 CYS 2 -1.065 0.465 -3.072
10 H CYS 3 H CYS 3 -1.999 3.675 -1.623
11 HA CYS 3 HA CYS 3 -1.748 2.153 0.756
12 HB2 CYS 3 HB3 CYS 3 -1.686 5.049 0.135
13 HB3 CYS 3 HB2 CYS 3 -1.627 4.447 1.771
14 H SER 4 H SER 4 -4.127 4.031 -0.666
15 HA SER 4 HA SER 4 -6.021 4.190 1.469
16 HB2 SER 4 HB3 SER 4 -6.690 4.104 -1.478
17 HB3 SER 4 HB2 SER 4 -7.552 4.963 -0.203
18 HG SER 4 HG SER 4 -6.056 6.507 -0.190
19 H HIS 5 H HIS 5 -4.780 1.552 0.009
20 HA HIS 5 HA HIS 5 -7.120 -0.162 0.408
21 HB2 HIS 5 HB3 HIS 5 -4.907 -0.342 -1.637
22 HB3 HIS 5 HB2 HIS 5 -6.013 -1.658 -1.278
23 HD1 HIS 5 HD1 HIS 5 -7.967 -1.790 -2.858
24 HD2 HIS 5 HD2 HIS 5 -6.352 2.033 -2.669
25 HE1 HIS 5 HE1 HIS 5 -9.162 -0.465 -4.606
26 HA PRO 6 HA PRO 6 -4.140 -2.135 3.114
27 HB2 PRO 6 HB2 PRO 6 -5.352 -4.531 3.482
28 HB3 PRO 6 HB3 PRO 6 -5.927 -3.047 4.248
29 HG2 PRO 6 HG3 PRO 6 -6.969 -4.455 1.827
30 HG3 PRO 6 HG2 PRO 6 -7.867 -3.663 3.133
31 HD2 PRO 6 HD3 PRO 6 -7.422 -2.509 0.690
32 HD3 PRO 6 HD2 PRO 6 -7.649 -1.593 2.188
33 H ALA 7 H ALA 7 -5.323 -4.015 0.330
34 HA ALA 7 HA ALA 7 -3.187 -5.905 0.504
35 HB1 ALA 7 HB1 ALA 7 -4.062 -6.902 -1.492
36 HB2 ALA 7 HB2 ALA 7 -5.064 -5.488 -1.806
37 HB3 ALA 7 HB3 ALA 7 -5.388 -6.503 -0.402
38 H CYS 8 H CYS 8 -3.690 -3.092 -1.540
39 HA CYS 8 HA CYS 8 -1.223 -3.664 -2.966
40 HB2 CYS 8 HB3 CYS 8 -3.327 -2.602 -4.006
41 HB3 CYS 8 HB2 CYS 8 -2.872 -1.137 -3.148
42 H ASN 9 H ASN 9 -1.764 -2.641 -0.010
43 HA ASN 9 HA ASN 9 -0.202 -0.224 0.146
44 HB2 ASN 9 HB3 ASN 9 -2.085 -1.112 1.698
45 HB3 ASN 9 HB2 ASN 9 -0.790 -2.076 2.376
46 HD21 ASN 9 HD22 ASN 9 -2.236 0.931 2.233
47 HD22 ASN 9 HD21 ASN 9 -1.249 1.782 3.356
48 H VAL 10 H VAL 10 0.159 -3.596 0.743
49 HA VAL 10 HA VAL 10 2.681 -3.445 2.039
50 HB VAL 10 HB VAL 10 1.102 -5.270 2.488
51 HG11 VAL 10 HG11 VAL 10 0.218 -5.692 0.294
52 HG12 VAL 10 HG12 VAL 10 0.896 -7.180 0.958
53 HG13 VAL 10 HG13 VAL 10 1.787 -6.271 -0.261
54 HG21 VAL 10 HG21 VAL 10 2.720 -7.124 2.556
55 HG22 VAL 10 HG22 VAL 10 3.429 -5.598 3.083
56 HG23 VAL 10 HG23 VAL 10 3.778 -6.222 1.471
57 H ASP 11 H ASP 11 1.804 -3.853 -1.349
58 HA ASP 11 HA ASP 11 4.558 -4.516 -1.858
59 HB2 ASP 11 HB3 ASP 11 3.993 -4.824 -4.237
60 HB3 ASP 11 HB2 ASP 11 3.012 -5.811 -3.172
61 H HIS 12 H HIS 12 3.166 -1.742 -1.222
62 HA HIS 12 HA HIS 12 5.129 -0.319 -2.810
63 HB2 HIS 12 HB3 HIS 12 2.494 0.440 -1.689
64 HB3 HIS 12 HB2 HIS 12 3.673 1.663 -2.123
65 HD1 HIS 12 HD1 HIS 12 4.082 1.948 -4.767
66 HD2 HIS 12 HD2 HIS 12 1.084 -0.726 -3.713
67 HE1 HIS 12 HE1 HIS 12 2.766 1.537 -6.859
68 HA PRO 13 HA PRO 13 6.215 -0.483 1.750
69 HB2 PRO 13 HB2 PRO 13 8.968 -0.924 0.912
70 HB3 PRO 13 HB3 PRO 13 7.939 -1.973 1.882
71 HG2 PRO 13 HG3 PRO 13 8.689 -2.621 -0.640
72 HG3 PRO 13 HG2 PRO 13 7.126 -3.105 0.038
73 HD2 PRO 13 HD3 PRO 13 7.764 -0.831 -1.812
74 HD3 PRO 13 HD2 PRO 13 6.415 -1.988 -1.873
75 H GLU 14 H GLU 14 7.837 1.032 -0.836
76 HA GLU 14 HA GLU 14 9.221 2.937 0.715
77 HB2 GLU 14 HB3 GLU 14 9.747 3.886 -1.471
78 HB3 GLU 14 HB2 GLU 14 10.147 2.180 -1.338
79 HG2 GLU 14 HG3 GLU 14 7.994 1.710 -2.547
80 HG3 GLU 14 HG2 GLU 14 7.856 3.447 -2.818
81 H ILE 15 H ILE 15 6.043 2.637 -0.232
82 HA ILE 15 HA ILE 15 5.590 5.534 -0.104
83 HB ILE 15 HB ILE 15 3.577 3.404 -0.913
84 HG12 ILE 15 HG13 ILE 15 5.412 3.460 -2.562
85 HG13 ILE 15 HG12 ILE 15 3.925 4.094 -3.249
86 HG21 ILE 15 HG21 ILE 15 3.538 6.409 -1.222
87 HG22 ILE 15 HG22 ILE 15 2.579 5.465 -0.082
88 HG23 ILE 15 HG23 ILE 15 2.298 5.302 -1.816
89 HD11 ILE 15 HD11 ILE 15 4.772 6.376 -2.915
90 HD12 ILE 15 HD12 ILE 15 5.828 5.413 -3.948
91 HD13 ILE 15 HD13 ILE 15 6.272 5.709 -2.268
92 H CYS 16 H CYS 16 4.161 2.510 0.970
93 HA CYS 16 HA CYS 16 3.758 3.683 3.583
94 HB2 CYS 16 2HB CYS 16 1.893 2.081 1.963
95 HB3 CYS 16 1HB CYS 16 1.638 2.360 3.683
96 HN1 NH2 17 1H NH2 17 2.912 0.432 2.374
97 HN2 NH2 17 2H NH2 17 4.062 -0.386 3.356
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 -6.215 5.079 -3.816
2 H2 GLY 1 H2 GLY 1 -5.607 6.659 -3.784
3 H3 GLY 1 H3 GLY 1 -5.505 5.671 -2.413
4 HA2 GLY 1 HA2 GLY 1 -4.148 5.103 -4.981
5 HA3 GLY 1 HA3 GLY 1 -3.373 5.779 -3.555
6 H CYS 2 H CYS 2 -2.190 3.555 -4.229
7 HA CYS 2 HA CYS 2 -3.434 1.221 -3.469
8 HB2 CYS 2 HB3 CYS 2 -0.825 2.083 -4.181
9 HB3 CYS 2 HB2 CYS 2 -0.841 0.607 -3.208
10 H CYS 3 H CYS 3 -1.897 3.603 -1.642
11 HA CYS 3 HA CYS 3 -1.589 1.899 0.584
12 HB2 CYS 3 HB3 CYS 3 -1.332 4.790 0.115
13 HB3 CYS 3 HB2 CYS 3 -1.445 4.191 1.761
14 H SER 4 H SER 4 -4.008 3.924 -0.558
15 HA SER 4 HA SER 4 -5.749 3.927 1.677
16 HB2 SER 4 HB3 SER 4 -6.653 3.853 -1.193
17 HB3 SER 4 HB2 SER 4 -7.388 4.719 0.159
18 HG SER 4 HG SER 4 -5.545 6.049 0.209
19 H HIS 5 H HIS 5 -4.952 1.679 -0.803
20 HA HIS 5 HA HIS 5 -7.124 -0.165 -0.283
21 HB2 HIS 5 HB3 HIS 5 -4.793 -0.179 -2.172
22 HB3 HIS 5 HB2 HIS 5 -5.994 -1.462 -2.149
23 HD1 HIS 5 HD1 HIS 5 -5.321 0.663 -4.581
24 HD2 HIS 5 HD2 HIS 5 -8.621 0.627 -2.041
25 HE1 HIS 5 HE1 HIS 5 -7.121 1.892 -5.785
26 HA PRO 6 HA PRO 6 -4.517 -1.992 2.993
27 HB2 PRO 6 HB2 PRO 6 -6.051 -4.348 3.062
28 HB3 PRO 6 HB3 PRO 6 -6.238 -2.945 4.111
29 HG2 PRO 6 HG3 PRO 6 -7.751 -3.710 1.674
30 HG3 PRO 6 HG2 PRO 6 -8.305 -2.836 3.112
31 HD2 PRO 6 HD3 PRO 6 -7.866 -1.618 0.779
32 HD3 PRO 6 HD2 PRO 6 -7.513 -0.806 2.318
33 H ALA 7 H ALA 7 -5.570 -3.900 0.187
34 HA ALA 7 HA ALA 7 -3.591 -5.907 0.581
35 HB1 ALA 7 HB1 ALA 7 -4.349 -6.854 -1.509
36 HB2 ALA 7 HB2 ALA 7 -5.221 -5.375 -1.895
37 HB3 ALA 7 HB3 ALA 7 -5.739 -6.369 -0.535
38 H CYS 8 H CYS 8 -3.759 -3.049 -1.455
39 HA CYS 8 HA CYS 8 -1.372 -3.804 -2.940
40 HB2 CYS 8 HB3 CYS 8 -3.386 -2.465 -3.861
41 HB3 CYS 8 HB2 CYS 8 -2.705 -1.116 -2.951
42 H ASN 9 H ASN 9 -2.177 -2.090 -0.148
43 HA ASN 9 HA ASN 9 -0.318 -0.087 0.220
44 HB2 ASN 9 HB3 ASN 9 -2.266 -0.816 1.667
45 HB3 ASN 9 HB2 ASN 9 -1.170 -2.037 2.283
46 HD21 ASN 9 HD22 ASN 9 -2.054 1.234 2.390
47 HD22 ASN 9 HD21 ASN 9 -0.942 1.726 3.617
48 H VAL 10 H VAL 10 -0.101 -3.452 0.887
49 HA VAL 10 HA VAL 10 2.316 -3.495 2.308
50 HB VAL 10 HB VAL 10 1.126 -5.757 0.742
51 HG11 VAL 10 HG11 VAL 10 2.946 -5.795 3.142
52 HG12 VAL 10 HG12 VAL 10 3.389 -6.229 1.492
53 HG13 VAL 10 HG13 VAL 10 2.229 -7.216 2.381
54 HG21 VAL 10 HG21 VAL 10 0.554 -4.906 3.569
55 HG22 VAL 10 HG22 VAL 10 -0.036 -6.386 2.812
56 HG23 VAL 10 HG23 VAL 10 -0.558 -4.814 2.203
57 H ASP 11 H ASP 11 1.710 -3.816 -1.191
58 HA ASP 11 HA ASP 11 4.529 -4.411 -1.486
59 HB2 ASP 11 HB3 ASP 11 4.155 -4.903 -3.868
60 HB3 ASP 11 HB2 ASP 11 3.144 -5.878 -2.827
61 H HIS 12 H HIS 12 3.214 -1.675 -0.920
62 HA HIS 12 HA HIS 12 4.979 -0.306 -2.757
63 HB2 HIS 12 HB3 HIS 12 2.506 0.489 -1.338
64 HB3 HIS 12 HB2 HIS 12 3.651 1.718 -1.839
65 HD1 HIS 12 HD1 HIS 12 3.257 2.586 -4.205
66 HD2 HIS 12 HD2 HIS 12 1.582 -1.167 -3.592
67 HE1 HIS 12 HE1 HIS 12 2.019 2.039 -6.304
68 HA PRO 13 HA PRO 13 6.925 -0.538 1.437
69 HB2 PRO 13 HB2 PRO 13 9.472 -0.635 0.054
70 HB3 PRO 13 HB3 PRO 13 8.730 -1.871 1.068
71 HG2 PRO 13 HG3 PRO 13 9.041 -2.153 -1.613
72 HG3 PRO 13 HG2 PRO 13 7.722 -2.907 -0.713
73 HD2 PRO 13 HD3 PRO 13 7.712 -0.418 -2.353
74 HD3 PRO 13 HD2 PRO 13 6.494 -1.717 -2.277
75 H GLU 14 H GLU 14 7.741 1.422 -1.235
76 HA GLU 14 HA GLU 14 9.330 3.246 0.281
77 HB2 GLU 14 HB3 GLU 14 9.347 4.487 -1.834
78 HB3 GLU 14 HB2 GLU 14 10.001 2.855 -1.962
79 HG2 GLU 14 HG3 GLU 14 7.962 2.116 -3.018
80 HG3 GLU 14 HG2 GLU 14 7.219 3.696 -2.753
81 H ILE 15 H ILE 15 6.032 2.781 -0.212
82 HA ILE 15 HA ILE 15 5.498 5.643 0.220
83 HB ILE 15 HB ILE 15 3.435 3.584 -0.621
84 HG12 ILE 15 HG13 ILE 15 5.134 3.739 -2.403
85 HG13 ILE 15 HG12 ILE 15 3.608 4.433 -2.918
86 HG21 ILE 15 HG21 ILE 15 2.124 5.557 -1.283
87 HG22 ILE 15 HG22 ILE 15 3.421 6.609 -0.715
88 HG23 ILE 15 HG23 ILE 15 2.542 5.597 0.431
89 HD11 ILE 15 HD11 ILE 15 6.039 5.972 -2.017
90 HD12 ILE 15 HD12 ILE 15 4.505 6.677 -2.529
91 HD13 ILE 15 HD13 ILE 15 5.487 5.766 -3.680
92 H CYS 16 H CYS 16 4.400 2.441 1.120
93 HA CYS 16 HA CYS 16 3.863 3.436 3.781
94 HB2 CYS 16 2HB CYS 16 2.249 1.672 2.067
95 HB3 CYS 16 1HB CYS 16 1.943 1.809 3.797
96 HN1 NH2 17 1H NH2 17 3.525 0.165 2.422
97 HN2 NH2 17 2H NH2 17 4.748 -0.543 3.409
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 -5.626 7.192 -4.230
2 H2 GLY 1 H2 GLY 1 -6.189 6.163 -3.020
3 H3 GLY 1 H3 GLY 1 -5.733 5.530 -4.524
4 HA2 GLY 1 HA2 GLY 1 -3.464 6.175 -4.128
5 HA3 GLY 1 HA3 GLY 1 -3.936 6.803 -2.556
6 H CYS 2 H CYS 2 -2.097 4.565 -3.386
7 HA CYS 2 HA CYS 2 -3.336 2.166 -2.882
8 HB2 CYS 2 HB3 CYS 2 -0.683 3.145 -3.167
9 HB3 CYS 2 HB2 CYS 2 -0.842 1.533 -2.473
10 H CYS 3 H CYS 3 -2.221 4.493 -0.744
11 HA CYS 3 HA CYS 3 -1.685 2.792 1.394
12 HB2 CYS 3 HB3 CYS 3 -2.457 5.652 1.220
13 HB3 CYS 3 HB2 CYS 3 -2.282 4.862 2.765
14 H SER 4 H SER 4 -4.523 4.181 0.222
15 HA SER 4 HA SER 4 -6.255 3.113 2.312
16 HB2 SER 4 HB3 SER 4 -7.001 4.356 -0.353
17 HB3 SER 4 HB2 SER 4 -8.071 4.094 1.026
18 HG SER 4 HG SER 4 -5.952 5.409 1.867
19 H HIS 5 H HIS 5 -4.561 1.494 0.287
20 HA HIS 5 HA HIS 5 -6.599 -0.457 -0.529
21 HB2 HIS 5 HB3 HIS 5 -4.355 0.770 -2.005
22 HB3 HIS 5 HB2 HIS 5 -4.819 -0.859 -2.451
23 HD1 HIS 5 HD1 HIS 5 -6.864 -1.066 -4.008
24 HD2 HIS 5 HD2 HIS 5 -6.336 2.765 -2.497
25 HE1 HIS 5 HE1 HIS 5 -8.478 0.394 -5.265
26 HA PRO 6 HA PRO 6 -3.686 -2.433 2.469
27 HB2 PRO 6 HB2 PRO 6 -5.581 -4.651 1.833
28 HB3 PRO 6 HB3 PRO 6 -4.933 -4.135 3.396
29 HG2 PRO 6 HG3 PRO 6 -7.404 -3.480 2.721
30 HG3 PRO 6 HG2 PRO 6 -6.354 -2.308 3.538
31 HD2 PRO 6 HD3 PRO 6 -7.166 -2.444 0.668
32 HD3 PRO 6 HD2 PRO 6 -6.895 -1.026 1.698
33 H ALA 7 H ALA 7 -4.932 -4.206 -0.356
34 HA ALA 7 HA ALA 7 -2.742 -5.977 -0.501
35 HB1 ALA 7 HB1 ALA 7 -3.582 -6.651 -2.663
36 HB2 ALA 7 HB2 ALA 7 -4.597 -5.216 -2.750
37 HB3 ALA 7 HB3 ALA 7 -4.928 -6.457 -1.540
38 H CYS 8 H CYS 8 -3.236 -2.801 -1.864
39 HA CYS 8 HA CYS 8 -0.867 -3.040 -3.547
40 HB2 CYS 8 HB3 CYS 8 -2.874 -1.584 -4.184
41 HB3 CYS 8 HB2 CYS 8 -2.387 -0.516 -2.869
42 H ASN 9 H ASN 9 -1.657 -2.170 -0.394
43 HA ASN 9 HA ASN 9 0.449 -0.276 0.001
44 HB2 ASN 9 HB3 ASN 9 -1.848 -0.335 1.120
45 HB3 ASN 9 HB2 ASN 9 -1.212 -1.692 2.002
46 HD21 ASN 9 HD22 ASN 9 -2.155 0.958 2.807
47 HD22 ASN 9 HD21 ASN 9 -0.913 1.604 3.817
48 H VAL 10 H VAL 10 -0.331 -3.482 1.038
49 HA VAL 10 HA VAL 10 1.741 -3.910 2.800
50 HB VAL 10 HB VAL 10 -0.210 -5.362 2.725
51 HG11 VAL 10 HG11 VAL 10 -0.541 -5.570 0.355
52 HG12 VAL 10 HG12 VAL 10 -0.423 -7.167 1.098
53 HG13 VAL 10 HG13 VAL 10 0.948 -6.504 0.204
54 HG21 VAL 10 HG21 VAL 10 0.889 -7.519 3.112
55 HG22 VAL 10 HG22 VAL 10 1.770 -6.191 3.867
56 HG23 VAL 10 HG23 VAL 10 2.360 -6.895 2.362
57 H ASP 11 H ASP 11 1.898 -4.432 -0.726
58 HA ASP 11 HA ASP 11 4.640 -5.286 -0.222
59 HB2 ASP 11 HB3 ASP 11 4.784 -6.337 -2.339
60 HB3 ASP 11 HB2 ASP 11 3.194 -6.747 -1.727
61 H HIS 12 H HIS 12 3.277 -2.432 -0.553
62 HA HIS 12 HA HIS 12 5.521 -1.410 -2.085
63 HB2 HIS 12 HB3 HIS 12 2.748 -0.488 -1.813
64 HB3 HIS 12 HB2 HIS 12 4.023 0.644 -2.200
65 HD1 HIS 12 HD1 HIS 12 5.520 -1.138 -4.342
66 HD2 HIS 12 HD2 HIS 12 1.415 -0.646 -4.050
67 HE1 HIS 12 HE1 HIS 12 4.634 -1.542 -6.642
68 HA PRO 13 HA PRO 13 5.923 0.234 2.227
69 HB2 PRO 13 HB2 PRO 13 8.777 -0.381 1.862
70 HB3 PRO 13 HB3 PRO 13 7.701 -0.898 3.167
71 HG2 PRO 13 HG3 PRO 13 8.603 -2.641 1.344
72 HG3 PRO 13 HG2 PRO 13 6.955 -2.750 1.983
73 HD2 PRO 13 HD3 PRO 13 7.887 -1.548 -0.607
74 HD3 PRO 13 HD2 PRO 13 6.533 -2.665 -0.312
75 H GLU 14 H GLU 14 7.482 0.657 -0.752
76 HA GLU 14 HA GLU 14 8.877 3.062 -0.256
77 HB2 GLU 14 HB3 GLU 14 9.167 3.079 -2.641
78 HB3 GLU 14 HB2 GLU 14 9.498 1.470 -2.021
79 HG2 GLU 14 HG3 GLU 14 7.258 0.755 -2.779
80 HG3 GLU 14 HG2 GLU 14 6.987 2.378 -3.410
81 H ILE 15 H ILE 15 5.608 2.222 -0.995
82 HA ILE 15 HA ILE 15 4.994 4.966 -1.812
83 HB ILE 15 HB ILE 15 3.187 2.522 -1.897
84 HG12 ILE 15 HG13 ILE 15 4.970 2.282 -3.550
85 HG13 ILE 15 HG12 ILE 15 3.445 2.606 -4.351
86 HG21 ILE 15 HG21 ILE 15 1.902 4.561 -1.646
87 HG22 ILE 15 HG22 ILE 15 1.676 3.892 -3.262
88 HG23 ILE 15 HG23 ILE 15 2.736 5.280 -3.022
89 HD11 ILE 15 HD11 ILE 15 4.111 4.947 -4.667
90 HD12 ILE 15 HD12 ILE 15 5.252 3.825 -5.409
91 HD13 ILE 15 HD13 ILE 15 5.652 4.601 -3.880
92 H CYS 16 H CYS 16 3.932 2.430 0.346
93 HA CYS 16 HA CYS 16 3.068 4.470 2.213
94 HB2 CYS 16 2HB CYS 16 1.801 1.891 1.553
95 HB3 CYS 16 1HB CYS 16 1.237 2.981 2.816
96 HN1 NH2 17 1H NH2 17 2.932 0.954 2.591
97 HN2 NH2 17 2H NH2 17 4.191 0.863 3.764
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -4.709 7.516 -3.793
2 H2 GLY 1 H2 GLY 1 -4.237 6.760 -2.372
3 H3 GLY 1 H3 GLY 1 -5.642 6.261 -3.135
4 HA2 GLY 1 HA2 GLY 1 -4.346 5.483 -5.022
5 HA3 GLY 1 HA3 GLY 1 -2.894 5.947 -4.143
6 H CYS 2 H CYS 2 -2.152 3.813 -4.161
7 HA CYS 2 HA CYS 2 -3.628 1.641 -3.312
8 HB2 CYS 2 HB3 CYS 2 -0.933 2.260 -3.935
9 HB3 CYS 2 HB2 CYS 2 -1.152 0.777 -3.007
10 H CYS 3 H CYS 3 -2.014 3.981 -1.502
11 HA CYS 3 HA CYS 3 -1.523 2.389 0.720
12 HB2 CYS 3 HB3 CYS 3 -1.773 5.303 0.288
13 HB3 CYS 3 HB2 CYS 3 -1.723 4.682 1.926
14 H SER 4 H SER 4 -4.276 4.022 -0.303
15 HA SER 4 HA SER 4 -5.875 3.430 2.043
16 HB2 SER 4 HB3 SER 4 -6.772 4.304 -0.713
17 HB3 SER 4 HB2 SER 4 -7.715 4.402 0.774
18 HG SER 4 HG SER 4 -6.762 6.186 1.225
19 H HIS 5 H HIS 5 -4.569 1.370 0.060
20 HA HIS 5 HA HIS 5 -6.872 -0.434 -0.125
21 HB2 HIS 5 HB3 HIS 5 -4.639 0.113 -2.017
22 HB3 HIS 5 HB2 HIS 5 -5.446 -1.452 -2.055
23 HD1 HIS 5 HD1 HIS 5 -7.748 -1.535 -3.199
24 HD2 HIS 5 HD2 HIS 5 -6.238 2.316 -2.805
25 HE1 HIS 5 HE1 HIS 5 -9.246 -0.067 -4.585
26 HA PRO 6 HA PRO 6 -4.345 -2.401 3.023
27 HB2 PRO 6 HB2 PRO 6 -6.071 -4.698 2.236
28 HB3 PRO 6 HB3 PRO 6 -5.678 -4.096 3.852
29 HG2 PRO 6 HG3 PRO 6 -8.036 -3.550 2.787
30 HG3 PRO 6 HG2 PRO 6 -7.150 -2.300 3.678
31 HD2 PRO 6 HD3 PRO 6 -7.509 -2.629 0.732
32 HD3 PRO 6 HD2 PRO 6 -7.455 -1.146 1.708
33 H ALA 7 H ALA 7 -5.085 -4.347 0.123
34 HA ALA 7 HA ALA 7 -2.770 -5.972 0.499
35 HB1 ALA 7 HB1 ALA 7 -3.348 -7.089 -1.535
36 HB2 ALA 7 HB2 ALA 7 -4.441 -5.797 -2.001
37 HB3 ALA 7 HB3 ALA 7 -4.823 -6.814 -0.612
38 H CYS 8 H CYS 8 -3.456 -3.158 -1.484
39 HA CYS 8 HA CYS 8 -1.032 -3.489 -3.043
40 HB2 CYS 8 HB3 CYS 8 -3.279 -2.346 -3.767
41 HB3 CYS 8 HB2 CYS 8 -2.664 -0.970 -2.861
42 H ASN 9 H ASN 9 -2.019 -2.024 -0.166
43 HA ASN 9 HA ASN 9 -0.164 0.004 0.307
44 HB2 ASN 9 HB3 ASN 9 -2.212 -0.649 1.641
45 HB3 ASN 9 HB2 ASN 9 -1.249 -1.980 2.227
46 HD21 ASN 9 HD22 ASN 9 -1.813 1.354 2.421
47 HD22 ASN 9 HD21 ASN 9 -0.816 1.701 3.779
48 H VAL 10 H VAL 10 -0.149 -3.383 0.906
49 HA VAL 10 HA VAL 10 2.240 -3.555 2.393
50 HB VAL 10 HB VAL 10 0.896 -5.730 0.822
51 HG11 VAL 10 HG11 VAL 10 3.149 -6.366 1.449
52 HG12 VAL 10 HG12 VAL 10 1.995 -7.266 2.438
53 HG13 VAL 10 HG13 VAL 10 2.852 -5.885 3.117
54 HG21 VAL 10 HG21 VAL 10 0.522 -4.923 3.700
55 HG22 VAL 10 HG22 VAL 10 -0.195 -6.343 2.941
56 HG23 VAL 10 HG23 VAL 10 -0.651 -4.728 2.398
57 H ASP 11 H ASP 11 1.592 -3.975 -1.092
58 HA ASP 11 HA ASP 11 4.342 -4.752 -1.426
59 HB2 ASP 11 HB3 ASP 11 3.878 -5.274 -3.733
60 HB3 ASP 11 HB2 ASP 11 2.628 -5.955 -2.715
61 H HIS 12 H HIS 12 3.081 -1.851 -1.027
62 HA HIS 12 HA HIS 12 5.124 -0.632 -2.704
63 HB2 HIS 12 HB3 HIS 12 2.596 0.381 -1.538
64 HB3 HIS 12 HB2 HIS 12 3.881 1.475 -2.003
65 HD1 HIS 12 HD1 HIS 12 4.171 1.856 -4.621
66 HD2 HIS 12 HD2 HIS 12 1.158 -0.796 -3.565
67 HE1 HIS 12 HE1 HIS 12 2.769 1.566 -6.680
68 HA PRO 13 HA PRO 13 6.532 -0.657 1.761
69 HB2 PRO 13 HB2 PRO 13 9.220 -0.857 0.577
70 HB3 PRO 13 HB3 PRO 13 8.453 -1.908 1.771
71 HG2 PRO 13 HG3 PRO 13 8.874 -2.730 -0.743
72 HG3 PRO 13 HG2 PRO 13 7.423 -3.209 0.155
73 HD2 PRO 13 HD3 PRO 13 7.733 -1.079 -1.934
74 HD3 PRO 13 HD2 PRO 13 6.442 -2.284 -1.739
75 H GLU 14 H GLU 14 7.796 1.011 -0.936
76 HA GLU 14 HA GLU 14 9.127 3.027 0.548
77 HB2 GLU 14 HB3 GLU 14 9.466 4.001 -1.663
78 HB3 GLU 14 HB2 GLU 14 10.014 2.333 -1.560
79 HG2 GLU 14 HG3 GLU 14 7.919 1.638 -2.684
80 HG3 GLU 14 HG2 GLU 14 7.473 3.338 -2.815
81 H ILE 15 H ILE 15 5.920 2.562 -0.600
82 HA ILE 15 HA ILE 15 5.387 5.453 -0.474
83 HB ILE 15 HB ILE 15 3.508 3.284 -1.449
84 HG12 ILE 15 HG13 ILE 15 5.445 3.363 -2.948
85 HG13 ILE 15 HG12 ILE 15 4.027 4.023 -3.740
86 HG21 ILE 15 HG21 ILE 15 2.371 5.271 -0.706
87 HG22 ILE 15 HG22 ILE 15 2.271 5.138 -2.464
88 HG23 ILE 15 HG23 ILE 15 3.406 6.266 -1.728
89 HD11 ILE 15 HD11 ILE 15 6.008 5.335 -4.241
90 HD12 ILE 15 HD12 ILE 15 6.266 5.623 -2.521
91 HD13 ILE 15 HD13 ILE 15 4.840 6.285 -3.321
92 H CYS 16 H CYS 16 3.953 2.429 0.456
93 HA CYS 16 HA CYS 16 2.477 3.765 2.563
94 HB2 CYS 16 2HB CYS 16 2.270 1.014 1.516
95 HB3 CYS 16 1HB CYS 16 1.112 1.785 2.593
96 HN1 NH2 17 1H NH2 17 3.910 0.523 2.283
97 HN2 NH2 17 2H NH2 17 4.686 0.566 3.828
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 -5.094 6.384 -2.656
2 H2 GLY 1 H2 GLY 1 -6.468 5.531 -3.111
3 H3 GLY 1 H3 GLY 1 -5.897 6.796 -4.080
4 HA2 GLY 1 HA2 GLY 1 -5.350 4.692 -5.038
5 HA3 GLY 1 HA3 GLY 1 -3.906 5.574 -4.557
6 H CYS 2 H CYS 2 -2.685 3.673 -4.418
7 HA CYS 2 HA CYS 2 -3.499 1.384 -3.225
8 HB2 CYS 2 HB3 CYS 2 -1.036 2.508 -4.124
9 HB3 CYS 2 HB2 CYS 2 -0.946 1.012 -3.191
10 H CYS 3 H CYS 3 -2.217 4.124 -1.705
11 HA CYS 3 HA CYS 3 -1.234 2.710 0.513
12 HB2 CYS 3 HB3 CYS 3 -1.885 5.577 0.073
13 HB3 CYS 3 HB2 CYS 3 -1.387 4.971 1.629
14 H SER 4 H SER 4 -4.200 4.125 -0.213
15 HA SER 4 HA SER 4 -5.340 3.509 2.388
16 HB2 SER 4 HB3 SER 4 -6.156 5.481 1.138
17 HB3 SER 4 HB2 SER 4 -6.722 4.427 -0.157
18 HG SER 4 HG SER 4 -7.863 3.402 1.814
19 H HIS 5 H HIS 5 -4.417 1.631 -0.052
20 HA HIS 5 HA HIS 5 -6.678 -0.228 0.061
21 HB2 HIS 5 HB3 HIS 5 -4.557 0.353 -1.926
22 HB3 HIS 5 HB2 HIS 5 -5.465 -1.153 -2.037
23 HD1 HIS 5 HD1 HIS 5 -6.094 0.140 -4.472
24 HD2 HIS 5 HD2 HIS 5 -7.846 1.531 -0.980
25 HE1 HIS 5 HE1 HIS 5 -8.092 1.487 -5.197
26 HA PRO 6 HA PRO 6 -3.939 -2.275 2.947
27 HB2 PRO 6 HB2 PRO 6 -5.710 -4.580 2.379
28 HB3 PRO 6 HB3 PRO 6 -5.237 -3.885 3.930
29 HG2 PRO 6 HG3 PRO 6 -7.668 -3.458 2.921
30 HG3 PRO 6 HG2 PRO 6 -6.799 -2.187 3.795
31 HD2 PRO 6 HD3 PRO 6 -7.264 -2.497 0.870
32 HD3 PRO 6 HD2 PRO 6 -7.170 -1.024 1.860
33 H ALA 7 H ALA 7 -4.929 -4.222 0.113
34 HA ALA 7 HA ALA 7 -2.608 -5.869 0.390
35 HB1 ALA 7 HB1 ALA 7 -4.700 -6.793 -0.526
36 HB2 ALA 7 HB2 ALA 7 -3.322 -7.043 -1.591
37 HB3 ALA 7 HB3 ALA 7 -4.499 -5.788 -1.959
38 H CYS 8 H CYS 8 -3.364 -3.069 -1.535
39 HA CYS 8 HA CYS 8 -1.005 -3.437 -3.189
40 HB2 CYS 8 HB3 CYS 8 -3.202 -2.234 -3.891
41 HB3 CYS 8 HB2 CYS 8 -2.579 -0.885 -2.939
42 H ASN 9 H ASN 9 -1.857 -1.981 -0.254
43 HA ASN 9 HA ASN 9 0.184 -0.079 0.129
44 HB2 ASN 9 HB3 ASN 9 -1.910 -0.512 1.511
45 HB3 ASN 9 HB2 ASN 9 -1.046 -1.890 2.141
46 HD21 ASN 9 HD22 ASN 9 -1.415 1.470 2.264
47 HD22 ASN 9 HD21 ASN 9 -0.324 1.779 3.572
48 H VAL 10 H VAL 10 -0.147 -3.449 0.753
49 HA VAL 10 HA VAL 10 2.276 -3.958 2.096
50 HB VAL 10 HB VAL 10 0.645 -5.856 0.429
51 HG11 VAL 10 HG11 VAL 10 2.893 -6.755 0.793
52 HG12 VAL 10 HG12 VAL 10 1.719 -7.661 1.749
53 HG13 VAL 10 HG13 VAL 10 2.747 -6.456 2.525
54 HG21 VAL 10 HG21 VAL 10 -0.632 -4.886 2.234
55 HG22 VAL 10 HG22 VAL 10 0.622 -5.333 3.391
56 HG23 VAL 10 HG23 VAL 10 -0.304 -6.586 2.563
57 H ASP 11 H ASP 11 1.526 -3.890 -1.370
58 HA ASP 11 HA ASP 11 4.236 -4.743 -1.875
59 HB2 ASP 11 HB3 ASP 11 3.728 -4.852 -4.243
60 HB3 ASP 11 HB2 ASP 11 2.460 -5.669 -3.347
61 H HIS 12 H HIS 12 2.938 -1.969 -1.017
62 HA HIS 12 HA HIS 12 4.940 -0.378 -2.458
63 HB2 HIS 12 HB3 HIS 12 2.288 0.194 -1.279
64 HB3 HIS 12 HB2 HIS 12 3.454 1.465 -1.483
65 HD1 HIS 12 HD1 HIS 12 2.676 -1.242 -4.114
66 HD2 HIS 12 HD2 HIS 12 2.117 2.807 -3.391
67 HE1 HIS 12 HE1 HIS 12 1.896 -0.292 -6.244
68 HA PRO 13 HA PRO 13 5.846 -0.593 2.167
69 HB2 PRO 13 HB2 PRO 13 8.363 -1.548 2.150
70 HB3 PRO 13 HB3 PRO 13 6.963 -2.619 2.016
71 HG2 PRO 13 HG3 PRO 13 8.802 -1.630 -0.118
72 HG3 PRO 13 HG2 PRO 13 8.076 -3.234 0.081
73 HD2 PRO 13 HD3 PRO 13 7.126 -1.274 -1.631
74 HD3 PRO 13 HD2 PRO 13 6.151 -2.614 -0.995
75 H GLU 14 H GLU 14 7.432 0.731 -0.497
76 HA GLU 14 HA GLU 14 8.971 2.577 1.087
77 HB2 GLU 14 HB3 GLU 14 9.915 3.136 -1.101
78 HB3 GLU 14 HB2 GLU 14 10.220 1.475 -0.590
79 HG2 GLU 14 HG3 GLU 14 8.427 0.750 -2.129
80 HG3 GLU 14 HG2 GLU 14 8.200 2.428 -2.625
81 H ILE 15 H ILE 15 5.921 2.418 -0.060
82 HA ILE 15 HA ILE 15 5.850 5.298 -0.760
83 HB ILE 15 HB ILE 15 3.686 3.295 -1.412
84 HG12 ILE 15 HG13 ILE 15 5.746 2.659 -2.644
85 HG13 ILE 15 HG12 ILE 15 4.470 3.210 -3.719
86 HG21 ILE 15 HG21 ILE 15 2.930 5.573 -1.311
87 HG22 ILE 15 HG22 ILE 15 2.895 5.000 -2.977
88 HG23 ILE 15 HG23 ILE 15 4.188 6.072 -2.443
89 HD11 ILE 15 HD11 ILE 15 6.606 4.051 -4.409
90 HD12 ILE 15 HD12 ILE 15 6.853 4.779 -2.816
91 HD13 ILE 15 HD13 ILE 15 5.563 5.376 -3.870
92 H CYS 16 H CYS 16 4.036 2.675 0.634
93 HA CYS 16 HA CYS 16 2.501 4.550 2.233
94 HB2 CYS 16 2HB CYS 16 2.059 1.695 1.658
95 HB3 CYS 16 1HB CYS 16 0.873 2.816 2.316
96 HN1 NH2 17 1H NH2 17 3.884 4.828 3.954
97 HN2 NH2 17 2H NH2 17 4.387 3.549 5.007
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -4.482 6.629 -5.555
2 H2 GLY 1 H2 GLY 1 -5.558 5.522 -4.846
3 H3 GLY 1 H3 GLY 1 -4.350 4.987 -5.907
4 HA2 GLY 1 HA2 GLY 1 -2.654 5.663 -4.384
5 HA3 GLY 1 HA3 GLY 1 -3.909 6.260 -3.306
6 H CYS 2 H CYS 2 -2.020 3.615 -4.198
7 HA CYS 2 HA CYS 2 -3.631 1.511 -3.460
8 HB2 CYS 2 HB3 CYS 2 -0.885 2.015 -3.996
9 HB3 CYS 2 HB2 CYS 2 -1.193 0.529 -3.097
10 H CYS 3 H CYS 3 -1.948 3.723 -1.559
11 HA CYS 3 HA CYS 3 -1.623 2.047 0.633
12 HB2 CYS 3 HB3 CYS 3 -1.477 4.960 0.226
13 HB3 CYS 3 HB2 CYS 3 -1.566 4.324 1.860
14 H SER 4 H SER 4 -4.199 3.946 -0.379
15 HA SER 4 HA SER 4 -5.808 3.674 1.982
16 HB2 SER 4 HB3 SER 4 -6.760 4.084 -0.865
17 HB3 SER 4 HB2 SER 4 -7.649 4.474 0.608
18 HG SER 4 HG SER 4 -6.167 6.042 1.084
19 H HIS 5 H HIS 5 -4.677 1.344 0.005
20 HA HIS 5 HA HIS 5 -6.952 -0.484 0.336
21 HB2 HIS 5 HB3 HIS 5 -4.944 -0.221 -1.873
22 HB3 HIS 5 HB2 HIS 5 -6.040 -1.598 -1.750
23 HD1 HIS 5 HD1 HIS 5 -8.404 -1.237 -2.701
24 HD2 HIS 5 HD2 HIS 5 -6.144 2.243 -2.575
25 HE1 HIS 5 HE1 HIS 5 -9.701 0.465 -4.022
26 HA PRO 6 HA PRO 6 -3.537 -2.140 2.978
27 HB2 PRO 6 HB2 PRO 6 -4.961 -4.499 3.518
28 HB3 PRO 6 HB3 PRO 6 -4.925 -3.048 4.521
29 HG2 PRO 6 HG3 PRO 6 -6.946 -3.920 2.518
30 HG3 PRO 6 HG2 PRO 6 -7.171 -3.057 4.046
31 HD2 PRO 6 HD3 PRO 6 -7.357 -1.792 1.723
32 HD3 PRO 6 HD2 PRO 6 -6.595 -0.996 3.112
33 H ALA 7 H ALA 7 -5.218 -3.993 0.482
34 HA ALA 7 HA ALA 7 -3.302 -6.069 0.340
35 HB1 ALA 7 HB1 ALA 7 -5.603 -6.339 -0.467
36 HB2 ALA 7 HB2 ALA 7 -4.415 -6.735 -1.707
37 HB3 ALA 7 HB3 ALA 7 -5.270 -5.194 -1.766
38 H CYS 8 H CYS 8 -3.557 -2.943 -1.213
39 HA CYS 8 HA CYS 8 -1.302 -3.599 -2.998
40 HB2 CYS 8 HB3 CYS 8 -3.493 -2.360 -3.732
41 HB3 CYS 8 HB2 CYS 8 -2.760 -0.983 -2.913
42 H ASN 9 H ASN 9 -2.066 -2.041 -0.123
43 HA ASN 9 HA ASN 9 -0.205 0.011 0.159
44 HB2 ASN 9 HB3 ASN 9 -2.135 -0.647 1.671
45 HB3 ASN 9 HB2 ASN 9 -1.059 -1.899 2.264
46 HD21 ASN 9 HD22 ASN 9 -1.883 1.366 2.404
47 HD22 ASN 9 HD21 ASN 9 -0.744 1.848 3.612
48 H VAL 10 H VAL 10 -0.056 -3.346 0.928
49 HA VAL 10 HA VAL 10 2.496 -3.326 2.131
50 HB VAL 10 HB VAL 10 0.830 -5.056 2.646
51 HG11 VAL 10 HG11 VAL 10 0.439 -6.954 1.155
52 HG12 VAL 10 HG12 VAL 10 1.366 -6.135 -0.104
53 HG13 VAL 10 HG13 VAL 10 -0.140 -5.429 0.481
54 HG21 VAL 10 HG21 VAL 10 3.407 -6.197 1.561
55 HG22 VAL 10 HG22 VAL 10 2.327 -7.016 2.690
56 HG23 VAL 10 HG23 VAL 10 3.154 -5.535 3.175
57 H ASP 11 H ASP 11 1.544 -3.703 -1.249
58 HA ASP 11 HA ASP 11 4.272 -4.445 -1.785
59 HB2 ASP 11 HB3 ASP 11 3.648 -4.885 -4.142
60 HB3 ASP 11 HB2 ASP 11 2.707 -5.824 -3.008
61 H HIS 12 H HIS 12 2.903 -1.656 -1.202
62 HA HIS 12 HA HIS 12 4.917 -0.300 -2.799
63 HB2 HIS 12 HB3 HIS 12 2.324 0.577 -1.667
64 HB3 HIS 12 HB2 HIS 12 3.562 1.738 -2.082
65 HD1 HIS 12 HD1 HIS 12 3.738 2.343 -4.627
66 HD2 HIS 12 HD2 HIS 12 1.118 -0.775 -3.793
67 HE1 HIS 12 HE1 HIS 12 2.473 1.928 -6.746
68 HA PRO 13 HA PRO 13 5.991 -0.246 1.770
69 HB2 PRO 13 HB2 PRO 13 8.668 -1.114 1.044
70 HB3 PRO 13 HB3 PRO 13 7.490 -1.930 2.075
71 HG2 PRO 13 HG3 PRO 13 8.198 -2.897 -0.346
72 HG3 PRO 13 HG2 PRO 13 6.572 -3.105 0.326
73 HD2 PRO 13 HD3 PRO 13 7.535 -1.087 -1.683
74 HD3 PRO 13 HD2 PRO 13 6.069 -2.096 -1.720
75 H GLU 14 H GLU 14 7.289 1.086 -1.014
76 HA GLU 14 HA GLU 14 9.122 2.850 0.230
77 HB2 GLU 14 HB3 GLU 14 9.066 3.888 -2.047
78 HB3 GLU 14 HB2 GLU 14 9.635 2.224 -1.977
79 HG2 GLU 14 HG3 GLU 14 7.445 1.476 -2.775
80 HG3 GLU 14 HG2 GLU 14 6.896 3.154 -2.818
81 H ILE 15 H ILE 15 5.758 2.778 -0.362
82 HA ILE 15 HA ILE 15 5.571 5.647 0.215
83 HB ILE 15 HB ILE 15 3.309 3.812 -0.656
84 HG12 ILE 15 HG13 ILE 15 4.969 5.720 -2.340
85 HG13 ILE 15 HG12 ILE 15 4.979 3.959 -2.435
86 HG21 ILE 15 HG21 ILE 15 2.144 5.928 -1.130
87 HG22 ILE 15 HG22 ILE 15 3.540 6.827 -0.535
88 HG23 ILE 15 HG23 ILE 15 2.610 5.810 0.567
89 HD11 ILE 15 HD11 ILE 15 2.610 5.708 -3.033
90 HD12 ILE 15 HD12 ILE 15 2.693 3.957 -3.213
91 HD13 ILE 15 HD13 ILE 15 3.685 5.002 -4.237
92 H CYS 16 H CYS 16 4.106 2.574 1.011
93 HA CYS 16 HA CYS 16 3.842 3.534 3.718
94 HB2 CYS 16 2HB CYS 16 2.054 1.830 2.116
95 HB3 CYS 16 1HB CYS 16 1.861 1.989 3.860
96 HN1 NH2 17 1H NH2 17 3.061 0.252 2.734
97 HN2 NH2 17 2H NH2 17 4.451 -0.473 3.446
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 -5.595 5.650 -2.932
2 H2 GLY 1 H2 GLY 1 -6.474 4.881 -4.148
3 H3 GLY 1 H3 GLY 1 -5.766 6.378 -4.446
4 HA2 GLY 1 HA2 GLY 1 -4.516 4.584 -5.469
5 HA3 GLY 1 HA3 GLY 1 -3.571 5.396 -4.227
6 H CYS 2 H CYS 2 -2.506 3.081 -4.531
7 HA CYS 2 HA CYS 2 -3.951 0.979 -3.402
8 HB2 CYS 2 HB3 CYS 2 -1.339 1.416 -4.469
9 HB3 CYS 2 HB2 CYS 2 -1.486 0.018 -3.403
10 H CYS 3 H CYS 3 -1.951 3.371 -2.120
11 HA CYS 3 HA CYS 3 -1.564 2.038 0.349
12 HB2 CYS 3 HB3 CYS 3 -1.063 4.744 -0.677
13 HB3 CYS 3 HB2 CYS 3 -1.276 4.564 1.056
14 H SER 4 H SER 4 -4.011 3.908 -0.993
15 HA SER 4 HA SER 4 -5.553 4.400 1.363
16 HB2 SER 4 HB3 SER 4 -6.717 3.886 -1.381
17 HB3 SER 4 HB2 SER 4 -7.337 4.950 -0.118
18 HG SER 4 HG SER 4 -5.600 6.321 -0.463
19 H HIS 5 H HIS 5 -4.970 1.707 -0.675
20 HA HIS 5 HA HIS 5 -7.112 0.041 0.349
21 HB2 HIS 5 HB3 HIS 5 -4.962 -0.375 -1.732
22 HB3 HIS 5 HB2 HIS 5 -6.048 -1.648 -1.193
23 HD1 HIS 5 HD1 HIS 5 -5.755 0.438 -4.019
24 HD2 HIS 5 HD2 HIS 5 -8.864 -0.463 -1.412
25 HE1 HIS 5 HE1 HIS 5 -7.869 0.885 -5.281
26 HA PRO 6 HA PRO 6 -4.294 -1.894 3.214
27 HB2 PRO 6 HB2 PRO 6 -5.578 -4.204 3.735
28 HB3 PRO 6 HB3 PRO 6 -6.184 -2.644 4.288
29 HG2 PRO 6 HG3 PRO 6 -7.137 -4.347 2.051
30 HG3 PRO 6 HG2 PRO 6 -8.048 -3.253 3.100
31 HD2 PRO 6 HD3 PRO 6 -7.174 -2.719 0.489
32 HD3 PRO 6 HD2 PRO 6 -7.780 -1.531 1.657
33 H ALA 7 H ALA 7 -5.351 -4.257 0.729
34 HA ALA 7 HA ALA 7 -3.015 -5.828 1.189
35 HB1 ALA 7 HB1 ALA 7 -3.763 -7.289 -0.570
36 HB2 ALA 7 HB2 ALA 7 -4.918 -6.090 -1.131
37 HB3 ALA 7 HB3 ALA 7 -5.138 -6.855 0.442
38 H CYS 8 H CYS 8 -3.910 -3.466 -1.192
39 HA CYS 8 HA CYS 8 -1.567 -3.937 -2.838
40 HB2 CYS 8 HB3 CYS 8 -3.936 -3.079 -3.553
41 HB3 CYS 8 HB2 CYS 8 -3.342 -1.526 -2.972
42 H ASN 9 H ASN 9 -1.996 -2.601 0.051
43 HA ASN 9 HA ASN 9 -0.561 -0.129 -0.042
44 HB2 ASN 9 HB3 ASN 9 -2.236 -0.921 1.657
45 HB3 ASN 9 HB2 ASN 9 -0.993 -2.006 2.225
46 HD21 ASN 9 HD22 ASN 9 -2.066 1.189 2.054
47 HD22 ASN 9 HD21 ASN 9 -0.956 1.890 3.182
48 H VAL 10 H VAL 10 0.024 -3.417 0.709
49 HA VAL 10 HA VAL 10 2.559 -3.307 1.816
50 HB VAL 10 HB VAL 10 1.313 -5.580 0.305
51 HG11 VAL 10 HG11 VAL 10 3.539 -5.617 2.342
52 HG12 VAL 10 HG12 VAL 10 3.702 -5.942 0.617
53 HG13 VAL 10 HG13 VAL 10 2.775 -7.043 1.637
54 HG21 VAL 10 HG21 VAL 10 0.584 -6.388 2.512
55 HG22 VAL 10 HG22 VAL 10 -0.121 -4.824 2.105
56 HG23 VAL 10 HG23 VAL 10 1.224 -4.916 3.243
57 H ASP 11 H ASP 11 1.636 -3.467 -1.609
58 HA ASP 11 HA ASP 11 4.386 -3.936 -2.247
59 HB2 ASP 11 HB3 ASP 11 3.751 -3.986 -4.659
60 HB3 ASP 11 HB2 ASP 11 2.945 -5.184 -3.670
61 H HIS 12 H HIS 12 3.063 -1.225 -1.292
62 HA HIS 12 HA HIS 12 4.920 0.336 -2.906
63 HB2 HIS 12 HB3 HIS 12 2.625 1.042 -1.145
64 HB3 HIS 12 HB2 HIS 12 3.824 2.223 -1.602
65 HD1 HIS 12 HD1 HIS 12 3.169 3.592 -3.661
66 HD2 HIS 12 HD2 HIS 12 1.231 -0.094 -3.499
67 HE1 HIS 12 HE1 HIS 12 1.505 3.607 -5.521
68 HA PRO 13 HA PRO 13 6.703 -0.991 1.212
69 HB2 PRO 13 HB2 PRO 13 9.301 -0.949 -0.119
70 HB3 PRO 13 HB3 PRO 13 8.488 -2.292 0.686
71 HG2 PRO 13 HG3 PRO 13 8.785 -2.213 -1.983
72 HG3 PRO 13 HG2 PRO 13 7.350 -2.920 -1.229
73 HD2 PRO 13 HD3 PRO 13 7.690 -0.217 -2.466
74 HD3 PRO 13 HD2 PRO 13 6.344 -1.371 -2.628
75 H GLU 14 H GLU 14 8.036 1.344 -0.901
76 HA GLU 14 HA GLU 14 9.475 2.691 1.172
77 HB2 GLU 14 HB3 GLU 14 10.098 4.164 -0.665
78 HB3 GLU 14 HB2 GLU 14 10.516 2.476 -0.944
79 HG2 GLU 14 HG3 GLU 14 8.531 2.282 -2.402
80 HG3 GLU 14 HG2 GLU 14 8.198 3.994 -2.132
81 H ILE 15 H ILE 15 6.309 2.666 0.323
82 HA ILE 15 HA ILE 15 5.967 5.535 0.927
83 HB ILE 15 HB ILE 15 3.916 3.761 -0.417
84 HG12 ILE 15 HG13 ILE 15 5.841 3.940 -1.933
85 HG13 ILE 15 HG12 ILE 15 4.478 4.856 -2.558
86 HG21 ILE 15 HG21 ILE 15 2.834 5.878 -1.033
87 HG22 ILE 15 HG22 ILE 15 4.081 6.759 -0.152
88 HG23 ILE 15 HG23 ILE 15 2.983 5.685 0.716
89 HD11 ILE 15 HD11 ILE 15 6.552 6.057 -2.887
90 HD12 ILE 15 HD12 ILE 15 6.894 5.979 -1.155
91 HD13 ILE 15 HD13 ILE 15 5.523 6.921 -1.741
92 H CYS 16 H CYS 16 4.490 2.382 1.244
93 HA CYS 16 HA CYS 16 3.594 3.086 3.909
94 HB2 CYS 16 2HB CYS 16 2.240 1.576 1.766
95 HB3 CYS 16 1HB CYS 16 1.649 1.647 3.426
96 HN1 NH2 17 1H NH2 17 5.370 2.040 4.765
97 HN2 NH2 17 2H NH2 17 5.652 0.333 4.655
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 -5.757 5.819 -4.536
2 H2 GLY 1 H2 GLY 1 -4.623 5.306 -5.681
3 H3 GLY 1 H3 GLY 1 -4.691 6.936 -5.230
4 HA2 GLY 1 HA2 GLY 1 -2.810 5.876 -4.177
5 HA3 GLY 1 HA3 GLY 1 -3.998 6.380 -2.985
6 H CYS 2 H CYS 2 -2.149 3.818 -4.157
7 HA CYS 2 HA CYS 2 -3.713 1.603 -3.514
8 HB2 CYS 2 HB3 CYS 2 -0.869 2.141 -3.954
9 HB3 CYS 2 HB2 CYS 2 -1.254 0.663 -3.104
10 H CYS 3 H CYS 3 -2.064 3.841 -1.551
11 HA CYS 3 HA CYS 3 -1.621 2.246 0.717
12 HB2 CYS 3 HB3 CYS 3 -1.721 5.165 0.164
13 HB3 CYS 3 HB2 CYS 3 -1.816 4.644 1.840
14 H SER 4 H SER 4 -4.342 4.131 -0.347
15 HA SER 4 HA SER 4 -5.881 3.933 2.014
16 HB2 SER 4 HB3 SER 4 -6.838 4.196 -0.852
17 HB3 SER 4 HB2 SER 4 -7.803 4.516 0.589
18 HG SER 4 HG SER 4 -6.120 6.114 1.104
19 H HIS 5 H HIS 5 -4.876 1.669 -0.208
20 HA HIS 5 HA HIS 5 -7.053 -0.208 0.383
21 HB2 HIS 5 HB3 HIS 5 -4.924 -0.152 -1.756
22 HB3 HIS 5 HB2 HIS 5 -5.964 -1.548 -1.479
23 HD1 HIS 5 HD1 HIS 5 -8.453 -1.331 -2.227
24 HD2 HIS 5 HD2 HIS 5 -6.137 2.038 -2.966
25 HE1 HIS 5 HE1 HIS 5 -9.811 0.138 -3.775
26 HA PRO 6 HA PRO 6 -4.212 -2.464 2.948
27 HB2 PRO 6 HB2 PRO 6 -5.522 -4.772 3.232
28 HB3 PRO 6 HB3 PRO 6 -6.180 -3.263 3.877
29 HG2 PRO 6 HG3 PRO 6 -6.916 -4.740 1.385
30 HG3 PRO 6 HG2 PRO 6 -7.967 -3.918 2.551
31 HD2 PRO 6 HD3 PRO 6 -7.131 -2.845 0.136
32 HD3 PRO 6 HD2 PRO 6 -7.712 -1.901 1.520
33 H ALA 7 H ALA 7 -5.370 -4.150 0.043
34 HA ALA 7 HA ALA 7 -3.319 -6.128 0.070
35 HB1 ALA 7 HB1 ALA 7 -5.499 -6.488 -0.992
36 HB2 ALA 7 HB2 ALA 7 -4.162 -6.770 -2.107
37 HB3 ALA 7 HB3 ALA 7 -5.095 -5.278 -2.209
38 H CYS 8 H CYS 8 -3.770 -3.118 -1.780
39 HA CYS 8 HA CYS 8 -1.261 -3.501 -3.166
40 HB2 CYS 8 HB3 CYS 8 -3.375 -2.391 -4.119
41 HB3 CYS 8 HB2 CYS 8 -2.896 -0.975 -3.189
42 H ASN 9 H ASN 9 -1.656 -2.880 -0.115
43 HA ASN 9 HA ASN 9 -0.021 -0.490 0.133
44 HB2 ASN 9 HB3 ASN 9 -2.012 -1.112 1.642
45 HB3 ASN 9 HB2 ASN 9 -0.898 -2.234 2.397
46 HD21 ASN 9 HD22 ASN 9 -0.164 0.968 1.126
47 HD22 ASN 9 HD21 ASN 9 0.285 1.659 2.642
48 H VAL 10 H VAL 10 0.114 -3.856 1.136
49 HA VAL 10 HA VAL 10 2.620 -3.886 2.309
50 HB VAL 10 HB VAL 10 1.437 -6.158 0.737
51 HG11 VAL 10 HG11 VAL 10 3.323 -6.123 3.088
52 HG12 VAL 10 HG12 VAL 10 3.755 -6.498 1.420
53 HG13 VAL 10 HG13 VAL 10 2.669 -7.565 2.311
54 HG21 VAL 10 HG21 VAL 10 0.352 -6.833 2.824
55 HG22 VAL 10 HG22 VAL 10 -0.223 -5.260 2.275
56 HG23 VAL 10 HG23 VAL 10 0.936 -5.362 3.601
57 H ASP 11 H ASP 11 1.801 -4.343 -1.119
58 HA ASP 11 HA ASP 11 4.504 -4.947 -1.842
59 HB2 ASP 11 HB3 ASP 11 3.653 -4.720 -4.193
60 HB3 ASP 11 HB2 ASP 11 2.783 -5.889 -3.204
61 H HIS 12 H HIS 12 3.253 -2.148 -0.815
62 HA HIS 12 HA HIS 12 5.016 -0.548 -2.536
63 HB2 HIS 12 HB3 HIS 12 2.312 -0.030 -1.447
64 HB3 HIS 12 HB2 HIS 12 3.413 1.330 -1.550
65 HD1 HIS 12 HD1 HIS 12 4.015 2.177 -3.945
66 HD2 HIS 12 HD2 HIS 12 1.424 -1.068 -3.864
67 HE1 HIS 12 HE1 HIS 12 3.091 1.949 -6.287
68 HA PRO 13 HA PRO 13 6.586 -0.307 1.834
69 HB2 PRO 13 HB2 PRO 13 9.135 -1.031 1.359
70 HB3 PRO 13 HB3 PRO 13 7.850 -2.221 1.601
71 HG2 PRO 13 HG3 PRO 13 9.097 -1.268 -0.943
72 HG3 PRO 13 HG2 PRO 13 8.617 -2.908 -0.475
73 HD2 PRO 13 HD3 PRO 13 7.125 -1.273 -2.098
74 HD3 PRO 13 HD2 PRO 13 6.446 -2.581 -1.112
75 H GLU 14 H GLU 14 7.282 1.107 -1.151
76 HA GLU 14 HA GLU 14 9.159 3.043 -0.068
77 HB2 GLU 14 HB3 GLU 14 8.961 3.876 -2.529
78 HB3 GLU 14 HB2 GLU 14 9.881 2.426 -2.173
79 HG2 GLU 14 HG3 GLU 14 7.972 1.058 -2.830
80 HG3 GLU 14 HG2 GLU 14 7.044 2.516 -3.179
81 H ILE 15 H ILE 15 5.878 2.685 -0.146
82 HA ILE 15 HA ILE 15 5.418 5.585 -0.394
83 HB ILE 15 HB ILE 15 3.303 3.447 -0.552
84 HG12 ILE 15 HG13 ILE 15 4.867 3.127 -2.402
85 HG13 ILE 15 HG12 ILE 15 3.347 3.782 -2.997
86 HG21 ILE 15 HG21 ILE 15 1.979 5.250 -1.589
87 HG22 ILE 15 HG22 ILE 15 3.312 6.367 -1.299
88 HG23 ILE 15 HG23 ILE 15 2.468 5.630 0.062
89 HD11 ILE 15 HD11 ILE 15 5.873 5.348 -2.524
90 HD12 ILE 15 HD12 ILE 15 4.350 5.999 -3.131
91 HD13 ILE 15 HD13 ILE 15 5.250 4.822 -4.087
92 H CYS 16 H CYS 16 3.722 2.934 1.220
93 HA CYS 16 HA CYS 16 3.532 4.605 3.621
94 HB2 CYS 16 2HB CYS 16 1.821 2.419 2.542
95 HB3 CYS 16 1HB CYS 16 1.739 2.850 4.240
96 HN1 NH2 17 1H NH2 17 3.339 1.099 3.235
97 HN2 NH2 17 2H NH2 17 4.565 0.721 4.391