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 |
|
|
512297 |
2l07   |
17032 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H ASP 1 3.884 2.240 12.387
2 HA ASP 1 HA ASP 1 6.415 1.406 11.138
3 HB2 ASP 1 1HB ASP 1 5.810 -0.910 12.195
4 HB3 ASP 1 2HB ASP 1 6.621 0.311 13.173
5 H CYS 2 H CYS 2 4.777 2.176 9.364
6 HA CYS 2 HA CYS 2 3.417 -0.241 8.380
7 HB2 CYS 2 1HB CYS 2 2.400 2.572 8.529
8 HB3 CYS 2 2HB CYS 2 1.863 1.529 7.217
9 H LYS 3 H LYS 3 3.132 -0.261 6.010
10 HA LYS 3 HA LYS 3 5.017 1.419 4.537
11 HB2 LYS 3 1HB LYS 3 6.255 -0.620 5.180
12 HB3 LYS 3 2HB LYS 3 5.027 -1.602 4.393
13 HG2 LYS 3 1HG LYS 3 6.615 -1.532 2.758
14 HG3 LYS 3 2HG LYS 3 5.637 -0.134 2.307
15 HD2 LYS 3 1HD LYS 3 7.793 0.710 2.209
16 HD3 LYS 3 2HD LYS 3 7.272 1.187 3.827
17 HE2 LYS 3 1HE LYS 3 8.375 -0.880 4.700
18 HE3 LYS 3 2HE LYS 3 9.023 -1.152 3.083
19 HZ1 LYS 3 3HZ LYS 3 10.595 -0.017 4.568
20 HZ2 LYS 3 1HZ LYS 3 9.520 1.281 4.712
21 HZ3 LYS 3 2HZ LYS 3 10.210 0.918 3.211
22 H ARG 4 H ARG 4 4.070 2.185 2.772
23 HA ARG 4 HA ARG 4 1.482 1.497 1.972
24 HB2 ARG 4 1HB ARG 4 3.700 3.083 0.745
25 HB3 ARG 4 2HB ARG 4 2.291 2.693 -0.233
26 HG2 ARG 4 1HG ARG 4 1.884 4.820 0.678
27 HG3 ARG 4 2HG ARG 4 0.891 3.699 1.613
28 HD2 ARG 4 1HD ARG 4 1.995 5.306 3.072
29 HD3 ARG 4 2HD ARG 4 2.584 3.673 3.376
30 HE ARG 4 HE ARG 4 4.666 4.334 2.690
31 HH11 ARG 4 1HH1 ARG 4 2.323 6.700 1.676
32 HH12 ARG 4 2HH1 ARG 4 3.513 7.838 1.137
33 HH21 ARG 4 1HH2 ARG 4 6.242 5.824 1.984
34 HH22 ARG 4 2HH2 ARG 4 5.741 7.339 1.311
35 H LYS 5 H LYS 5 0.663 0.035 0.593
36 HA LYS 5 HA LYS 5 2.475 -1.954 -0.509
37 HB2 LYS 5 1HB LYS 5 -0.546 -1.846 -0.432
38 HB3 LYS 5 2HB LYS 5 0.399 -3.203 -1.031
39 HG2 LYS 5 1HG LYS 5 0.738 -2.175 1.764
40 HG3 LYS 5 2HG LYS 5 -0.526 -3.334 1.347
41 HD2 LYS 5 1HD LYS 5 1.209 -4.844 0.439
42 HD3 LYS 5 2HD LYS 5 2.445 -3.699 0.965
43 HE2 LYS 5 1HE LYS 5 2.256 -5.449 2.603
44 HE3 LYS 5 2HE LYS 5 1.621 -3.955 3.290
45 HZ1 LYS 5 3HZ LYS 5 -0.353 -5.589 1.961
46 HZ2 LYS 5 1HZ LYS 5 -0.421 -4.815 3.464
47 HZ3 LYS 5 2HZ LYS 5 0.342 -6.317 3.321
48 H VAL 6 H VAL 6 3.078 -2.047 -2.573
49 HA VAL 6 HA VAL 6 1.910 -0.150 -4.460
50 HB VAL 6 HB VAL 6 4.349 -0.199 -4.282
51 HG11 VAL 6 1HG1 VAL 6 4.738 -2.740 -5.654
52 HG12 VAL 6 2HG1 VAL 6 5.581 -2.064 -4.258
53 HG13 VAL 6 3HG1 VAL 6 4.056 -2.922 -4.038
54 HG21 VAL 6 3HG2 VAL 6 3.411 0.460 -6.402
55 HG22 VAL 6 1HG2 VAL 6 4.866 -0.495 -6.688
56 HG23 VAL 6 2HG2 VAL 6 3.275 -1.225 -6.908
57 H TYR 7 H TYR 7 0.634 -0.718 -6.109
58 HA TYR 7 HA TYR 7 0.045 -3.566 -6.464
59 HB2 TYR 7 1HB TYR 7 -1.471 -1.040 -6.923
60 HB3 TYR 7 2HB TYR 7 -1.854 -2.427 -7.935
61 HD1 TYR 7 HD2 TYR 7 -1.786 -4.708 -6.259
62 HD2 TYR 7 HD1 TYR 7 -3.049 -0.767 -5.269
63 HE1 TYR 7 HE2 TYR 7 -3.211 -5.620 -4.474
64 HE2 TYR 7 HE1 TYR 7 -4.478 -1.669 -3.480
65 HH TYR 7 HH TYR 7 -4.223 -4.269 -2.057
66 HA PRO 8 HA PRO 8 1.851 -3.872 -10.451
67 HB2 PRO 8 1HB PRO 8 0.042 -5.384 -11.798
68 HB3 PRO 8 2HB PRO 8 1.083 -6.037 -10.528
69 HG2 PRO 8 1HG PRO 8 -1.777 -5.167 -10.373
70 HG3 PRO 8 2HG PRO 8 -1.003 -6.601 -9.671
71 HD2 PRO 8 1HD PRO 8 -1.548 -4.381 -8.218
72 HD3 PRO 8 2HD PRO 8 -0.148 -5.421 -7.886
73 H ASN 9 H ASN 9 -1.317 -2.503 -10.147
74 HA ASN 9 HA ASN 9 -1.697 -1.742 -12.854
75 HB2 ASN 9 1HB ASN 9 -3.474 -1.872 -11.045
76 HB3 ASN 9 2HB ASN 9 -2.848 -0.341 -10.440
77 HD21 ASN 9 2HD2 ASN 9 -4.035 -1.867 -13.405
78 HD22 ASN 9 1HD2 ASN 9 -4.830 -0.460 -14.016
79 H GLY 10 H GLY 10 0.276 -0.521 -10.334
80 HA2 GLY 10 1HA GLY 10 2.060 1.000 -10.901
81 HA3 GLY 10 2HA GLY 10 0.970 1.782 -12.037
82 H SER 11 H SER 11 -0.696 1.072 -9.241
83 HA SER 11 HA SER 11 -0.227 3.788 -8.195
84 HB2 SER 11 1HB SER 11 -2.527 3.104 -9.264
85 HB3 SER 11 2HB SER 11 -2.791 2.312 -7.710
86 HG SER 11 HG SER 11 -3.560 4.359 -7.483
87 H ILE 12 H ILE 12 -0.903 3.995 -5.838
88 HA ILE 12 HA ILE 12 0.053 1.631 -4.360
89 HB ILE 12 HB ILE 12 0.758 3.266 -2.587
90 HG12 ILE 12 1HG1 ILE 12 0.333 5.286 -4.800
91 HG13 ILE 12 2HG1 ILE 12 -0.669 5.142 -3.361
92 HG21 ILE 12 1HG2 ILE 12 2.787 3.021 -3.454
93 HG22 ILE 12 2HG2 ILE 12 2.033 2.487 -4.956
94 HG23 ILE 12 3HG2 ILE 12 2.434 4.189 -4.727
95 HD11 ILE 12 3HD1 ILE 12 0.707 6.821 -2.707
96 HD12 ILE 12 1HD1 ILE 12 1.656 5.442 -2.151
97 HD13 ILE 12 2HD1 ILE 12 2.064 6.237 -3.671
98 H SER 13 H SER 13 -0.941 1.098 -2.402
99 HA SER 13 HA SER 13 -3.677 2.115 -2.149
100 HB2 SER 13 1HB SER 13 -3.721 -0.231 -2.308
101 HB3 SER 13 2HB SER 13 -2.318 -0.419 -1.257
102 HG SER 13 HG SER 13 -3.588 -0.386 0.415
103 H ASP 14 H ASP 14 -4.375 3.211 -0.408
104 HA ASP 14 HA ASP 14 -2.396 3.850 1.656
105 HB2 ASP 14 1HB ASP 14 -3.582 5.674 0.351
106 HB3 ASP 14 2HB ASP 14 -5.054 5.207 1.199
107 H TYR 15 H TYR 15 -3.034 1.468 2.270
108 HA TYR 15 HA TYR 15 -4.818 1.708 4.557
109 HB2 TYR 15 1HB TYR 15 -5.182 -0.435 2.453
110 HB3 TYR 15 2HB TYR 15 -6.030 -0.365 3.993
111 HD1 TYR 15 HD1 TYR 15 -7.303 1.928 4.424
112 HD2 TYR 15 HD2 TYR 15 -6.246 0.417 0.590
113 HE1 TYR 15 HE1 TYR 15 -9.059 3.314 3.401
114 HE2 TYR 15 HE2 TYR 15 -7.997 1.799 -0.444
115 HH TYR 15 HH TYR 15 -9.314 3.727 -0.015
116 H CYS 16 H CYS 16 -3.674 1.021 6.228
117 HA CYS 16 HA CYS 16 -1.754 -1.177 5.820
118 HB2 CYS 16 1HB CYS 16 -0.714 0.966 6.464
119 HB3 CYS 16 2HB CYS 16 -1.708 1.005 7.917
120 H GLU 17 H GLU 17 -1.695 -2.874 7.271
121 HA GLU 17 HA GLU 17 -4.154 -3.305 8.751
122 HB2 GLU 17 1HB GLU 17 -3.478 -5.591 8.920
123 HB3 GLU 17 2HB GLU 17 -3.135 -5.061 7.279
124 HG2 GLU 17 1HG GLU 17 -0.766 -4.656 8.032
125 HG3 GLU 17 2HG GLU 17 -1.189 -5.490 9.526
126 H TYR 18 H TYR 18 -4.370 -3.294 10.911
127 HA TYR 18 HA TYR 18 -1.952 -2.756 12.505
128 HB2 TYR 18 1HB TYR 18 -3.633 -1.760 14.157
129 HB3 TYR 18 2HB TYR 18 -3.345 -0.859 12.673
130 HD1 TYR 18 HD2 TYR 18 -5.713 -3.184 14.327
131 HD2 TYR 18 HD1 TYR 18 -5.113 -0.370 11.192
132 HE1 TYR 18 HE2 TYR 18 -8.127 -3.203 13.855
133 HE2 TYR 18 HE1 TYR 18 -7.525 -0.381 10.712
134 HH TYR 18 HH TYR 18 -9.523 -1.125 11.338
Start of MODEL 2
1 H1 ASP 1 H ASP 1 4.527 1.464 13.329
2 HA ASP 1 HA ASP 1 4.863 2.479 10.871
3 HB2 ASP 1 1HB ASP 1 6.583 1.335 12.433
4 HB3 ASP 1 2HB ASP 1 6.225 -0.123 11.512
5 H CYS 2 H CYS 2 4.174 2.114 8.868
6 HA CYS 2 HA CYS 2 3.199 -0.576 8.179
7 HB2 CYS 2 1HB CYS 2 1.390 1.214 8.645
8 HB3 CYS 2 2HB CYS 2 1.895 1.914 7.110
9 H LYS 3 H LYS 3 3.417 -1.192 6.000
10 HA LYS 3 HA LYS 3 5.335 0.449 4.480
11 HB2 LYS 3 1HB LYS 3 4.952 -2.526 4.183
12 HB3 LYS 3 2HB LYS 3 6.280 -1.542 3.583
13 HG2 LYS 3 1HG LYS 3 5.687 -2.075 6.487
14 HG3 LYS 3 2HG LYS 3 6.914 -2.899 5.524
15 HD2 LYS 3 1HD LYS 3 6.872 0.090 5.846
16 HD3 LYS 3 2HD LYS 3 7.692 -0.967 6.997
17 HE2 LYS 3 1HE LYS 3 9.080 -1.860 5.206
18 HE3 LYS 3 2HE LYS 3 8.234 -0.855 4.031
19 HZ1 LYS 3 3HZ LYS 3 10.395 -0.176 5.754
20 HZ2 LYS 3 1HZ LYS 3 9.093 0.883 5.971
21 HZ3 LYS 3 2HZ LYS 3 9.768 0.676 4.434
22 H ARG 4 H ARG 4 4.434 1.432 2.803
23 HA ARG 4 HA ARG 4 1.901 0.876 1.765
24 HB2 ARG 4 1HB ARG 4 2.627 2.312 -0.164
25 HB3 ARG 4 2HB ARG 4 2.848 3.041 1.421
26 HG2 ARG 4 1HG ARG 4 5.196 2.631 1.364
27 HG3 ARG 4 2HG ARG 4 5.043 1.655 -0.098
28 HD2 ARG 4 1HD ARG 4 5.892 3.936 -0.536
29 HD3 ARG 4 2HD ARG 4 4.381 3.586 -1.375
30 HE ARG 4 HE ARG 4 3.346 5.210 -0.129
31 HH11 ARG 4 1HH1 ARG 4 6.446 4.473 1.274
32 HH12 ARG 4 2HH1 ARG 4 6.401 5.796 2.391
33 HH21 ARG 4 1HH2 ARG 4 3.276 6.956 1.338
34 HH22 ARG 4 2HH2 ARG 4 4.597 7.208 2.427
35 H LYS 5 H LYS 5 1.162 -0.567 0.347
36 HA LYS 5 HA LYS 5 3.056 -2.411 -0.879
37 HB2 LYS 5 1HB LYS 5 0.043 -2.543 -0.980
38 HB3 LYS 5 2HB LYS 5 1.186 -3.847 -1.274
39 HG2 LYS 5 1HG LYS 5 1.901 -3.595 1.133
40 HG3 LYS 5 2HG LYS 5 0.501 -2.540 1.343
41 HD2 LYS 5 1HD LYS 5 -0.200 -4.695 2.015
42 HD3 LYS 5 2HD LYS 5 -0.897 -4.438 0.414
43 HE2 LYS 5 1HE LYS 5 0.600 -5.900 -0.606
44 HE3 LYS 5 2HE LYS 5 1.749 -5.807 0.729
45 HZ1 LYS 5 3HZ LYS 5 0.368 -7.146 2.072
46 HZ2 LYS 5 1HZ LYS 5 0.440 -7.920 0.569
47 HZ3 LYS 5 2HZ LYS 5 -0.935 -7.034 0.999
48 H VAL 6 H VAL 6 3.710 -2.201 -2.908
49 HA VAL 6 HA VAL 6 2.466 -0.260 -4.653
50 HB VAL 6 HB VAL 6 4.890 -0.384 -4.612
51 HG11 VAL 6 1HG1 VAL 6 4.519 -3.116 -4.445
52 HG12 VAL 6 2HG1 VAL 6 5.197 -2.884 -6.058
53 HG13 VAL 6 3HG1 VAL 6 6.060 -2.282 -4.642
54 HG21 VAL 6 3HG2 VAL 6 4.187 -1.500 -7.291
55 HG22 VAL 6 1HG2 VAL 6 3.480 0.030 -6.771
56 HG23 VAL 6 2HG2 VAL 6 5.232 -0.141 -6.879
57 H TYR 7 H TYR 7 0.975 -0.684 -6.138
58 HA TYR 7 HA TYR 7 0.350 -3.478 -6.746
59 HB2 TYR 7 1HB TYR 7 -1.185 -0.922 -6.801
60 HB3 TYR 7 2HB TYR 7 -1.667 -2.198 -7.913
61 HD1 TYR 7 HD2 TYR 7 -1.463 -4.640 -6.495
62 HD2 TYR 7 HD1 TYR 7 -2.603 -0.827 -4.990
63 HE1 TYR 7 HE2 TYR 7 -2.728 -5.736 -4.693
64 HE2 TYR 7 HE1 TYR 7 -3.871 -1.912 -3.183
65 HH TYR 7 HH TYR 7 -4.988 -4.648 -3.106
66 HA PRO 8 HA PRO 8 1.785 -3.366 -10.889
67 HB2 PRO 8 1HB PRO 8 -0.147 -4.734 -12.216
68 HB3 PRO 8 2HB PRO 8 1.000 -5.513 -11.120
69 HG2 PRO 8 1HG PRO 8 -1.829 -4.671 -10.617
70 HG3 PRO 8 2HG PRO 8 -1.005 -6.168 -10.141
71 HD2 PRO 8 1HD PRO 8 -1.401 -4.113 -8.422
72 HD3 PRO 8 2HD PRO 8 0.016 -5.177 -8.328
73 H ASN 9 H ASN 9 -1.320 -2.029 -10.151
74 HA ASN 9 HA ASN 9 -1.928 -0.991 -12.727
75 HB2 ASN 9 1HB ASN 9 -3.660 0.272 -11.627
76 HB3 ASN 9 2HB ASN 9 -3.599 -1.328 -10.894
77 HD21 ASN 9 2HD2 ASN 9 -4.677 1.096 -9.785
78 HD22 ASN 9 1HD2 ASN 9 -3.798 1.414 -8.332
79 H GLY 10 H GLY 10 0.237 -0.038 -10.250
80 HA2 GLY 10 1HA GLY 10 1.969 1.554 -10.782
81 HA3 GLY 10 2HA GLY 10 0.792 2.446 -11.736
82 H SER 11 H SER 11 -0.648 1.416 -8.914
83 HA SER 11 HA SER 11 -0.077 3.992 -7.599
84 HB2 SER 11 1HB SER 11 -2.446 3.505 -8.591
85 HB3 SER 11 2HB SER 11 -2.641 2.491 -7.162
86 HG SER 11 HG SER 11 -3.353 4.486 -6.582
87 H ILE 12 H ILE 12 -0.762 3.870 -5.182
88 HA ILE 12 HA ILE 12 0.467 1.439 -4.066
89 HB ILE 12 HB ILE 12 0.908 2.848 -2.041
90 HG12 ILE 12 1HG1 ILE 12 0.072 5.092 -3.892
91 HG13 ILE 12 2HG1 ILE 12 -0.798 4.568 -2.455
92 HG21 ILE 12 1HG2 ILE 12 2.293 2.675 -4.449
93 HG22 ILE 12 2HG2 ILE 12 2.364 4.380 -4.007
94 HG23 ILE 12 3HG2 ILE 12 2.944 3.153 -2.881
95 HD11 ILE 12 3HD1 ILE 12 0.401 6.520 -1.880
96 HD12 ILE 12 1HD1 ILE 12 1.242 5.164 -1.128
97 HD13 ILE 12 2HD1 ILE 12 1.888 5.900 -2.596
98 H SER 13 H SER 13 -0.370 0.590 -2.081
99 HA SER 13 HA SER 13 -3.172 0.356 -2.041
100 HB2 SER 13 1HB SER 13 -2.161 -1.492 -1.101
101 HB3 SER 13 2HB SER 13 -0.947 -0.530 -0.257
102 HG SER 13 HG SER 13 -3.305 -1.446 0.647
103 H ASP 14 H ASP 14 -4.742 1.349 -0.891
104 HA ASP 14 HA ASP 14 -3.924 3.657 0.739
105 HB2 ASP 14 1HB ASP 14 -6.683 3.220 -0.386
106 HB3 ASP 14 2HB ASP 14 -5.942 4.727 0.147
107 H TYR 15 H TYR 15 -3.680 1.409 2.124
108 HA TYR 15 HA TYR 15 -5.592 1.719 4.224
109 HB2 TYR 15 1HB TYR 15 -6.668 0.152 2.445
110 HB3 TYR 15 2HB TYR 15 -5.539 -1.049 3.062
111 HD1 TYR 15 HD2 TYR 15 -7.908 1.482 4.477
112 HD2 TYR 15 HD1 TYR 15 -6.394 -2.492 4.635
113 HE1 TYR 15 HE2 TYR 15 -9.466 0.967 6.309
114 HE2 TYR 15 HE1 TYR 15 -7.949 -3.018 6.466
115 HH TYR 15 HH TYR 15 -10.369 -1.923 7.196
116 H CYS 16 H CYS 16 -4.841 0.940 6.160
117 HA CYS 16 HA CYS 16 -2.519 -0.819 6.192
118 HB2 CYS 16 1HB CYS 16 -2.477 2.063 6.932
119 HB3 CYS 16 2HB CYS 16 -1.589 0.951 7.969
120 H GLU 17 H GLU 17 -2.391 -2.067 8.000
121 HA GLU 17 HA GLU 17 -4.255 -1.475 10.197
122 HB2 GLU 17 1HB GLU 17 -4.798 -3.870 10.356
123 HB3 GLU 17 2HB GLU 17 -5.282 -3.189 8.809
124 HG2 GLU 17 1HG GLU 17 -3.540 -4.258 7.665
125 HG3 GLU 17 2HG GLU 17 -2.676 -4.628 9.157
126 H TYR 18 H TYR 18 -3.625 -2.185 12.252
127 HA TYR 18 HA TYR 18 -2.129 -2.509 13.936
128 HB2 TYR 18 1HB TYR 18 -1.300 -4.567 11.914
129 HB3 TYR 18 2HB TYR 18 -0.394 -4.376 13.410
130 HD1 TYR 18 HD2 TYR 18 -3.897 -4.844 12.205
131 HD2 TYR 18 HD1 TYR 18 -1.044 -5.592 15.271
132 HE1 TYR 18 HE2 TYR 18 -5.528 -6.273 13.366
133 HE2 TYR 18 HE1 TYR 18 -2.666 -7.023 16.440
134 HH TYR 18 HH TYR 18 -5.662 -7.976 14.979
Start of MODEL 3
1 H1 ASP 1 H ASP 1 5.664 3.086 12.388
2 HA ASP 1 HA ASP 1 4.049 4.275 10.326
3 HB2 ASP 1 1HB ASP 1 6.820 3.131 9.992
4 HB3 ASP 1 2HB ASP 1 6.046 4.393 9.038
5 H CYS 2 H CYS 2 3.994 3.330 8.108
6 HA CYS 2 HA CYS 2 3.871 0.395 8.129
7 HB2 CYS 2 1HB CYS 2 1.590 1.303 8.474
8 HB3 CYS 2 2HB CYS 2 1.738 2.198 6.966
9 H LYS 3 H LYS 3 4.492 -0.598 6.262
10 HA LYS 3 HA LYS 3 5.910 1.026 4.344
11 HB2 LYS 3 1HB LYS 3 5.628 -1.908 4.860
12 HB3 LYS 3 2HB LYS 3 6.234 -1.368 3.300
13 HG2 LYS 3 1HG LYS 3 7.435 -0.486 5.909
14 HG3 LYS 3 2HG LYS 3 7.970 -1.924 5.037
15 HD2 LYS 3 1HD LYS 3 7.891 0.842 3.839
16 HD3 LYS 3 2HD LYS 3 9.324 0.133 4.589
17 HE2 LYS 3 1HE LYS 3 8.977 -1.811 2.955
18 HE3 LYS 3 2HE LYS 3 7.885 -0.726 2.096
19 HZ1 LYS 3 3HZ LYS 3 10.759 -0.231 2.661
20 HZ2 LYS 3 1HZ LYS 3 9.718 0.862 1.897
21 HZ3 LYS 3 2HZ LYS 3 10.086 -0.613 1.156
22 H ARG 4 H ARG 4 5.030 1.852 2.575
23 HA ARG 4 HA ARG 4 2.409 1.492 1.755
24 HB2 ARG 4 1HB ARG 4 3.145 2.511 -0.407
25 HB3 ARG 4 2HB ARG 4 3.647 3.410 1.019
26 HG2 ARG 4 1HG ARG 4 5.866 2.186 0.819
27 HG3 ARG 4 2HG ARG 4 5.319 1.696 -0.786
28 HD2 ARG 4 1HD ARG 4 5.034 4.052 -1.398
29 HD3 ARG 4 2HD ARG 4 5.595 4.532 0.203
30 HE ARG 4 HE ARG 4 7.747 4.150 -0.476
31 HH11 ARG 4 1HH1 ARG 4 5.556 2.647 -2.725
32 HH12 ARG 4 2HH1 ARG 4 6.796 2.239 -3.864
33 HH21 ARG 4 1HH2 ARG 4 9.390 3.619 -1.968
34 HH22 ARG 4 2HH2 ARG 4 8.977 2.792 -3.431
35 H LYS 5 H LYS 5 1.365 0.149 0.374
36 HA LYS 5 HA LYS 5 2.864 -2.192 -0.554
37 HB2 LYS 5 1HB LYS 5 0.733 -2.336 0.889
38 HB3 LYS 5 2HB LYS 5 -0.132 -1.905 -0.580
39 HG2 LYS 5 1HG LYS 5 0.723 -3.874 -1.699
40 HG3 LYS 5 2HG LYS 5 1.678 -4.291 -0.275
41 HD2 LYS 5 1HD LYS 5 -1.268 -3.915 0.008
42 HD3 LYS 5 2HD LYS 5 -0.656 -5.412 -0.698
43 HE2 LYS 5 1HE LYS 5 0.921 -5.387 1.397
44 HE3 LYS 5 2HE LYS 5 -0.326 -4.335 2.065
45 HZ1 LYS 5 3HZ LYS 5 -1.565 -6.549 0.868
46 HZ2 LYS 5 1HZ LYS 5 -1.548 -6.110 2.503
47 HZ3 LYS 5 2HZ LYS 5 -0.340 -7.120 1.886
48 H VAL 6 H VAL 6 3.551 -2.142 -2.583
49 HA VAL 6 HA VAL 6 2.425 -0.370 -4.540
50 HB VAL 6 HB VAL 6 4.448 -2.572 -4.970
51 HG11 VAL 6 1HG1 VAL 6 3.453 -1.779 -7.031
52 HG12 VAL 6 2HG1 VAL 6 3.782 -0.106 -6.576
53 HG13 VAL 6 3HG1 VAL 6 5.118 -1.209 -6.909
54 HG21 VAL 6 3HG2 VAL 6 5.891 -1.365 -3.786
55 HG22 VAL 6 1HG2 VAL 6 5.689 -0.045 -4.938
56 HG23 VAL 6 2HG2 VAL 6 4.671 -0.125 -3.501
57 H TYR 7 H TYR 7 0.800 -0.779 -5.880
58 HA TYR 7 HA TYR 7 -0.186 -3.527 -6.103
59 HB2 TYR 7 1HB TYR 7 -1.409 -0.827 -6.365
60 HB3 TYR 7 2HB TYR 7 -2.093 -2.122 -7.343
61 HD1 TYR 7 HD1 TYR 7 -0.755 -2.063 -3.854
62 HD2 TYR 7 HD2 TYR 7 -4.090 -2.790 -6.394
63 HE1 TYR 7 HE1 TYR 7 -2.058 -2.833 -1.914
64 HE2 TYR 7 HE2 TYR 7 -5.402 -3.561 -4.461
65 HH TYR 7 HH TYR 7 -5.448 -3.830 -2.256
66 HA PRO 8 HA PRO 8 0.994 -4.084 -10.292
67 HB2 PRO 8 1HB PRO 8 -1.165 -5.346 -11.346
68 HB3 PRO 8 2HB PRO 8 -0.053 -6.127 -10.217
69 HG2 PRO 8 1HG PRO 8 -2.725 -4.886 -9.691
70 HG3 PRO 8 2HG PRO 8 -2.057 -6.407 -9.071
71 HD2 PRO 8 1HD PRO 8 -2.101 -4.131 -7.605
72 HD3 PRO 8 2HD PRO 8 -0.817 -5.345 -7.445
73 H ASN 9 H ASN 9 -1.880 -2.292 -9.582
74 HA ASN 9 HA ASN 9 -2.525 -1.499 -12.233
75 HB2 ASN 9 1HB ASN 9 -4.044 -1.400 -10.193
76 HB3 ASN 9 2HB ASN 9 -3.161 0.048 -9.720
77 HD21 ASN 9 2HD2 ASN 9 -3.651 1.947 -10.647
78 HD22 ASN 9 1HD2 ASN 9 -4.838 2.155 -11.885
79 H GLY 10 H GLY 10 -0.100 -0.540 -10.010
80 HA2 GLY 10 1HA GLY 10 1.772 0.741 -10.830
81 HA3 GLY 10 2HA GLY 10 0.652 1.655 -11.828
82 H SER 11 H SER 11 -0.713 1.165 -8.828
83 HA SER 11 HA SER 11 0.243 3.792 -7.889
84 HB2 SER 11 1HB SER 11 -2.257 3.390 -8.662
85 HB3 SER 11 2HB SER 11 -2.415 2.718 -7.040
86 HG SER 11 HG SER 11 -2.579 4.703 -6.403
87 H ILE 12 H ILE 12 -0.199 4.066 -5.453
88 HA ILE 12 HA ILE 12 0.738 1.628 -4.094
89 HB ILE 12 HB ILE 12 1.619 3.202 -2.345
90 HG12 ILE 12 1HG1 ILE 12 1.060 5.278 -4.474
91 HG13 ILE 12 2HG1 ILE 12 0.199 5.134 -2.946
92 HG21 ILE 12 1HG2 ILE 12 2.962 3.961 -4.875
93 HG22 ILE 12 2HG2 ILE 12 3.637 3.309 -3.384
94 HG23 ILE 12 3HG2 ILE 12 2.813 2.241 -4.518
95 HD11 ILE 12 3HD1 ILE 12 2.682 5.330 -2.005
96 HD12 ILE 12 1HD1 ILE 12 2.886 6.210 -3.519
97 HD13 ILE 12 2HD1 ILE 12 1.672 6.734 -2.350
98 H SER 13 H SER 13 -0.250 0.930 -2.246
99 HA SER 13 HA SER 13 -2.960 1.547 -1.856
100 HB2 SER 13 1HB SER 13 -1.607 -0.569 -1.177
101 HB3 SER 13 2HB SER 13 -1.274 0.320 0.309
102 HG SER 13 HG SER 13 -3.685 -0.712 -0.655
103 H ASP 14 H ASP 14 -3.727 2.038 0.529
104 HA ASP 14 HA ASP 14 -2.212 4.320 1.590
105 HB2 ASP 14 1HB ASP 14 -5.143 4.272 0.866
106 HB3 ASP 14 2HB ASP 14 -4.441 5.483 1.936
107 H TYR 15 H TYR 15 -4.847 2.011 2.120
108 HA TYR 15 HA TYR 15 -4.707 2.408 4.997
109 HB2 TYR 15 1HB TYR 15 -6.413 0.479 3.411
110 HB3 TYR 15 2HB TYR 15 -6.606 0.890 5.111
111 HD1 TYR 15 HD1 TYR 15 -6.892 3.507 5.552
112 HD2 TYR 15 HD2 TYR 15 -7.785 1.535 1.889
113 HE1 TYR 15 HE1 TYR 15 -8.407 5.344 4.939
114 HE2 TYR 15 HE2 TYR 15 -9.303 3.368 1.265
115 HH TYR 15 HH TYR 15 -10.625 5.395 3.189
116 H CYS 16 H CYS 16 -4.124 0.823 6.487
117 HA CYS 16 HA CYS 16 -2.618 -1.454 5.374
118 HB2 CYS 16 1HB CYS 16 -1.964 0.320 7.728
119 HB3 CYS 16 2HB CYS 16 -1.188 -1.239 7.465
120 H GLU 17 H GLU 17 -2.323 -3.250 6.993
121 HA GLU 17 HA GLU 17 -4.866 -3.672 8.405
122 HB2 GLU 17 1HB GLU 17 -4.264 -5.269 6.587
123 HB3 GLU 17 2HB GLU 17 -2.845 -5.735 7.513
124 HG2 GLU 17 1HG GLU 17 -4.509 -7.377 7.885
125 HG3 GLU 17 2HG GLU 17 -4.371 -6.425 9.361
126 H TYR 18 H TYR 18 -4.928 -4.134 10.542
127 HA TYR 18 HA TYR 18 -2.350 -4.145 11.969
128 HB2 TYR 18 1HB TYR 18 -5.042 -3.038 12.751
129 HB3 TYR 18 2HB TYR 18 -3.764 -3.311 13.928
130 HD1 TYR 18 HD1 TYR 18 -1.622 -2.040 13.731
131 HD2 TYR 18 HD2 TYR 18 -5.006 -1.149 11.309
132 HE1 TYR 18 HE1 TYR 18 -0.654 0.157 13.196
133 HE2 TYR 18 HE2 TYR 18 -4.047 1.050 10.767
134 HH TYR 18 HH TYR 18 -0.805 1.878 11.527
Start of MODEL 4
1 H1 ASP 1 H ASP 1 5.153 2.185 11.517
2 HA ASP 1 HA ASP 1 5.591 -0.585 12.129
3 HB2 ASP 1 1HB ASP 1 3.052 1.020 11.782
4 HB3 ASP 1 2HB ASP 1 3.097 -0.662 12.305
5 H CYS 2 H CYS 2 3.502 0.964 9.684
6 HA CYS 2 HA CYS 2 4.048 -1.331 7.917
7 HB2 CYS 2 1HB CYS 2 1.836 -0.998 6.943
8 HB3 CYS 2 2HB CYS 2 1.706 -1.234 8.682
9 H LYS 3 H LYS 3 4.065 -0.889 5.618
10 HA LYS 3 HA LYS 3 4.688 1.907 4.946
11 HB2 LYS 3 1HB LYS 3 6.433 0.938 3.355
12 HB3 LYS 3 2HB LYS 3 6.827 0.929 5.069
13 HG2 LYS 3 1HG LYS 3 5.523 -1.484 3.945
14 HG3 LYS 3 2HG LYS 3 7.209 -1.180 3.518
15 HD2 LYS 3 1HD LYS 3 6.437 -0.940 6.377
16 HD3 LYS 3 2HD LYS 3 6.527 -2.560 5.682
17 HE2 LYS 3 1HE LYS 3 8.831 -1.723 4.775
18 HE3 LYS 3 2HE LYS 3 8.687 -0.530 6.066
19 HZ1 LYS 3 3HZ LYS 3 9.259 -2.046 7.558
20 HZ2 LYS 3 1HZ LYS 3 9.605 -3.116 6.294
21 HZ3 LYS 3 2HZ LYS 3 8.079 -3.132 7.022
22 H ARG 4 H ARG 4 4.196 2.556 2.833
23 HA ARG 4 HA ARG 4 1.905 1.419 1.693
24 HB2 ARG 4 1HB ARG 4 3.907 3.442 0.740
25 HB3 ARG 4 2HB ARG 4 2.632 2.881 -0.334
26 HG2 ARG 4 1HG ARG 4 0.966 3.873 0.902
27 HG3 ARG 4 2HG ARG 4 1.923 3.873 2.386
28 HD2 ARG 4 1HD ARG 4 3.335 5.635 1.514
29 HD3 ARG 4 2HD ARG 4 2.488 5.585 -0.032
30 HE ARG 4 HE ARG 4 0.875 6.915 0.877
31 HH11 ARG 4 1HH1 ARG 4 2.628 5.374 3.460
32 HH12 ARG 4 2HH1 ARG 4 1.809 6.247 4.712
33 HH21 ARG 4 1HH2 ARG 4 -0.210 8.071 2.516
34 HH22 ARG 4 2HH2 ARG 4 0.194 7.781 4.174
35 H LYS 5 H LYS 5 1.637 0.464 -0.424
36 HA LYS 5 HA LYS 5 3.990 -1.027 -1.370
37 HB2 LYS 5 1HB LYS 5 2.161 -2.292 0.061
38 HB3 LYS 5 2HB LYS 5 1.292 -2.306 -1.468
39 HG2 LYS 5 1HG LYS 5 3.437 -3.294 -2.460
40 HG3 LYS 5 2HG LYS 5 3.908 -3.596 -0.786
41 HD2 LYS 5 1HD LYS 5 1.865 -4.899 -0.446
42 HD3 LYS 5 2HD LYS 5 1.386 -4.589 -2.118
43 HE2 LYS 5 1HE LYS 5 2.388 -6.806 -1.868
44 HE3 LYS 5 2HE LYS 5 3.360 -5.773 -2.915
45 HZ1 LYS 5 3HZ LYS 5 5.082 -5.895 -1.531
46 HZ2 LYS 5 1HZ LYS 5 4.276 -7.179 -0.781
47 HZ3 LYS 5 2HZ LYS 5 4.132 -5.612 -0.159
48 H VAL 6 H VAL 6 4.312 -0.950 -3.506
49 HA VAL 6 HA VAL 6 2.404 0.514 -5.140
50 HB VAL 6 HB VAL 6 5.086 -0.595 -5.972
51 HG11 VAL 6 1HG1 VAL 6 3.696 1.785 -7.142
52 HG12 VAL 6 2HG1 VAL 6 4.937 0.754 -7.856
53 HG13 VAL 6 3HG1 VAL 6 3.288 0.153 -7.674
54 HG21 VAL 6 3HG2 VAL 6 4.355 1.975 -4.607
55 HG22 VAL 6 1HG2 VAL 6 5.636 0.830 -4.206
56 HG23 VAL 6 2HG2 VAL 6 5.784 1.856 -5.633
57 H TYR 7 H TYR 7 1.054 -0.375 -6.566
58 HA TYR 7 HA TYR 7 1.194 -3.271 -6.980
59 HB2 TYR 7 1HB TYR 7 -0.991 -1.249 -7.036
60 HB3 TYR 7 2HB TYR 7 -1.158 -2.659 -8.076
61 HD1 TYR 7 HD1 TYR 7 0.223 -2.273 -4.626
62 HD2 TYR 7 HD2 TYR 7 -2.720 -4.071 -7.117
63 HE1 TYR 7 HE1 TYR 7 -0.591 -3.582 -2.709
64 HE2 TYR 7 HE2 TYR 7 -3.543 -5.384 -5.207
65 HH TYR 7 HH TYR 7 -1.865 -5.848 -2.436
66 HA PRO 8 HA PRO 8 2.321 -3.041 -11.214
67 HB2 PRO 8 1HB PRO 8 0.779 -4.972 -12.337
68 HB3 PRO 8 2HB PRO 8 2.153 -5.332 -11.285
69 HG2 PRO 8 1HG PRO 8 -0.767 -5.268 -10.631
70 HG3 PRO 8 2HG PRO 8 0.464 -6.447 -10.140
71 HD2 PRO 8 1HD PRO 8 -0.398 -4.471 -8.501
72 HD3 PRO 8 2HD PRO 8 1.263 -5.096 -8.451
73 H ASN 9 H ASN 9 -0.991 -2.568 -10.332
74 HA ASN 9 HA ASN 9 -2.008 -1.915 -12.902
75 HB2 ASN 9 1HB ASN 9 -3.452 -2.553 -11.000
76 HB3 ASN 9 2HB ASN 9 -3.018 -1.055 -10.182
77 HD21 ASN 9 2HD2 ASN 9 -4.220 -2.127 -13.345
78 HD22 ASN 9 1HD2 ASN 9 -5.405 -0.880 -13.505
79 H GLY 10 H GLY 10 -0.040 -0.234 -10.657
80 HA2 GLY 10 1HA GLY 10 1.156 1.720 -11.410
81 HA3 GLY 10 2HA GLY 10 -0.273 2.189 -12.317
82 H SER 11 H SER 11 -1.207 1.025 -9.340
83 HA SER 11 HA SER 11 -1.293 3.751 -8.222
84 HB2 SER 11 1HB SER 11 -3.486 2.541 -8.982
85 HB3 SER 11 2HB SER 11 -3.295 1.643 -7.475
86 HG SER 11 HG SER 11 -3.887 3.350 -6.400
87 H ILE 12 H ILE 12 -1.684 3.688 -5.769
88 HA ILE 12 HA ILE 12 0.112 1.664 -4.600
89 HB ILE 12 HB ILE 12 -0.373 4.468 -3.590
90 HG12 ILE 12 1HG1 ILE 12 2.198 4.517 -4.286
91 HG13 ILE 12 2HG1 ILE 12 1.656 3.304 -5.440
92 HG21 ILE 12 1HG2 ILE 12 1.863 3.756 -2.375
93 HG22 ILE 12 2HG2 ILE 12 0.281 3.363 -1.705
94 HG23 ILE 12 3HG2 ILE 12 1.188 2.143 -2.601
95 HD11 ILE 12 3HD1 ILE 12 0.969 4.923 -6.771
96 HD12 ILE 12 1HD1 ILE 12 -0.198 5.420 -5.545
97 HD13 ILE 12 2HD1 ILE 12 1.416 6.133 -5.568
98 H SER 13 H SER 13 -0.491 0.617 -2.754
99 HA SER 13 HA SER 13 -3.298 0.627 -2.120
100 HB2 SER 13 1HB SER 13 -2.476 -1.531 -2.018
101 HB3 SER 13 2HB SER 13 -0.933 -1.024 -1.330
102 HG SER 13 HG SER 13 -2.480 -2.131 0.115
103 H ASP 14 H ASP 14 -4.287 1.627 -0.486
104 HA ASP 14 HA ASP 14 -2.604 2.925 1.557
105 HB2 ASP 14 1HB ASP 14 -3.984 4.338 -0.161
106 HB3 ASP 14 2HB ASP 14 -5.350 3.912 0.868
107 H TYR 15 H TYR 15 -2.831 0.814 2.670
108 HA TYR 15 HA TYR 15 -5.096 0.919 4.484
109 HB2 TYR 15 1HB TYR 15 -5.674 -0.605 2.504
110 HB3 TYR 15 2HB TYR 15 -4.456 -1.703 3.143
111 HD1 TYR 15 HD1 TYR 15 -4.740 -2.312 5.691
112 HD2 TYR 15 HD2 TYR 15 -7.866 -0.845 3.206
113 HE1 TYR 15 HE1 TYR 15 -6.404 -3.269 7.228
114 HE2 TYR 15 HE2 TYR 15 -9.538 -1.797 4.737
115 HH TYR 15 HH TYR 15 -9.288 -2.452 7.557
116 H CYS 16 H CYS 16 -4.508 0.429 6.508
117 HA CYS 16 HA CYS 16 -2.074 -1.153 6.938
118 HB2 CYS 16 1HB CYS 16 -1.562 1.305 7.067
119 HB3 CYS 16 2HB CYS 16 -2.672 1.407 8.429
120 H GLU 17 H GLU 17 -1.979 -2.265 8.918
121 HA GLU 17 HA GLU 17 -4.593 -2.824 10.055
122 HB2 GLU 17 1HB GLU 17 -2.826 -4.576 9.378
123 HB3 GLU 17 2HB GLU 17 -2.012 -4.133 10.873
124 HG2 GLU 17 1HG GLU 17 -3.251 -5.910 11.579
125 HG3 GLU 17 2HG GLU 17 -4.361 -4.587 11.930
126 H TYR 18 H TYR 18 -5.114 -2.651 12.240
127 HA TYR 18 HA TYR 18 -3.233 -1.154 13.928
128 HB2 TYR 18 1HB TYR 18 -5.218 0.170 14.772
129 HB3 TYR 18 2HB TYR 18 -4.702 0.543 13.132
130 HD1 TYR 18 HD2 TYR 18 -7.213 -1.385 15.074
131 HD2 TYR 18 HD1 TYR 18 -6.209 0.389 11.340
132 HE1 TYR 18 HE2 TYR 18 -9.497 -1.807 14.267
133 HE2 TYR 18 HE1 TYR 18 -8.492 -0.027 10.523
134 HH TYR 18 HH TYR 18 -10.978 -0.444 12.141
Start of MODEL 5
1 H1 ASP 1 H ASP 1 6.633 3.452 11.721
2 HA ASP 1 HA ASP 1 5.138 4.980 9.691
3 HB2 ASP 1 1HB ASP 1 7.696 3.414 9.469
4 HB3 ASP 1 2HB ASP 1 6.689 3.710 8.055
5 H CYS 2 H CYS 2 4.439 3.511 7.820
6 HA CYS 2 HA CYS 2 3.662 0.847 8.772
7 HB2 CYS 2 1HB CYS 2 1.790 2.440 9.193
8 HB3 CYS 2 2HB CYS 2 1.742 2.787 7.468
9 H LYS 3 H LYS 3 3.466 -0.707 7.191
10 HA LYS 3 HA LYS 3 4.870 -0.219 4.754
11 HB2 LYS 3 1HB LYS 3 3.578 -2.572 6.049
12 HB3 LYS 3 2HB LYS 3 3.885 -2.654 4.319
13 HG2 LYS 3 1HG LYS 3 5.741 -3.642 5.397
14 HG3 LYS 3 2HG LYS 3 6.273 -2.065 4.813
15 HD2 LYS 3 1HD LYS 3 6.056 -1.121 7.019
16 HD3 LYS 3 2HD LYS 3 5.348 -2.618 7.631
17 HE2 LYS 3 1HE LYS 3 7.592 -3.658 6.744
18 HE3 LYS 3 2HE LYS 3 8.175 -2.003 6.908
19 HZ1 LYS 3 3HZ LYS 3 7.303 -2.094 9.243
20 HZ2 LYS 3 1HZ LYS 3 8.637 -3.087 8.931
21 HZ3 LYS 3 2HZ LYS 3 7.087 -3.758 9.032
22 H ARG 4 H ARG 4 4.119 -0.052 2.684
23 HA ARG 4 HA ARG 4 1.205 0.262 2.392
24 HB2 ARG 4 1HB ARG 4 1.871 1.652 0.351
25 HB3 ARG 4 2HB ARG 4 2.180 2.353 1.934
26 HG2 ARG 4 1HG ARG 4 4.360 0.795 0.662
27 HG3 ARG 4 2HG ARG 4 3.983 2.389 0.006
28 HD2 ARG 4 1HD ARG 4 4.262 2.112 2.952
29 HD3 ARG 4 2HD ARG 4 5.726 2.058 1.972
30 HE ARG 4 HE ARG 4 4.058 4.275 1.301
31 HH11 ARG 4 1HH1 ARG 4 6.430 3.129 3.576
32 HH12 ARG 4 2HH1 ARG 4 6.983 4.716 3.999
33 HH21 ARG 4 1HH2 ARG 4 4.776 6.370 1.848
34 HH22 ARG 4 2HH2 ARG 4 6.041 6.558 3.016
35 H LYS 5 H LYS 5 0.144 -1.016 1.013
36 HA LYS 5 HA LYS 5 1.528 -3.160 -0.287
37 HB2 LYS 5 1HB LYS 5 -1.329 -2.331 0.005
38 HB3 LYS 5 2HB LYS 5 -0.909 -3.501 -1.238
39 HG2 LYS 5 1HG LYS 5 0.031 -3.930 1.559
40 HG3 LYS 5 2HG LYS 5 -1.640 -4.301 1.126
41 HD2 LYS 5 1HD LYS 5 -0.673 -6.323 0.683
42 HD3 LYS 5 2HD LYS 5 -0.460 -5.547 -0.888
43 HE2 LYS 5 1HE LYS 5 1.793 -5.270 -0.597
44 HE3 LYS 5 2HE LYS 5 1.665 -5.183 1.159
45 HZ1 LYS 5 3HZ LYS 5 1.906 -7.385 1.362
46 HZ2 LYS 5 1HZ LYS 5 2.550 -7.321 -0.201
47 HZ3 LYS 5 2HZ LYS 5 0.925 -7.735 0.027
48 H VAL 6 H VAL 6 2.394 -3.132 -2.247
49 HA VAL 6 HA VAL 6 1.843 -0.913 -4.041
50 HB VAL 6 HB VAL 6 4.168 -1.570 -3.712
51 HG11 VAL 6 1HG1 VAL 6 4.186 -4.003 -5.248
52 HG12 VAL 6 2HG1 VAL 6 4.843 -3.686 -3.642
53 HG13 VAL 6 3HG1 VAL 6 3.158 -4.174 -3.826
54 HG21 VAL 6 3HG2 VAL 6 3.137 -0.799 -5.993
55 HG22 VAL 6 1HG2 VAL 6 4.819 -1.322 -5.903
56 HG23 VAL 6 2HG2 VAL 6 3.583 -2.425 -6.509
57 H TYR 7 H TYR 7 0.568 -1.009 -5.775
58 HA TYR 7 HA TYR 7 -0.614 -3.594 -6.483
59 HB2 TYR 7 1HB TYR 7 -1.499 -0.761 -6.679
60 HB3 TYR 7 2HB TYR 7 -2.079 -1.873 -7.913
61 HD1 TYR 7 HD1 TYR 7 -1.488 -2.349 -4.257
62 HD2 TYR 7 HD2 TYR 7 -4.301 -2.331 -7.450
63 HE1 TYR 7 HE1 TYR 7 -3.235 -3.140 -2.716
64 HE2 TYR 7 HE2 TYR 7 -6.054 -3.121 -5.918
65 HH TYR 7 HH TYR 7 -5.833 -2.993 -2.646
66 HA PRO 8 HA PRO 8 1.360 -3.903 -10.388
67 HB2 PRO 8 1HB PRO 8 -0.638 -4.813 -11.985
68 HB3 PRO 8 2HB PRO 8 0.135 -5.813 -10.751
69 HG2 PRO 8 1HG PRO 8 -2.461 -4.328 -10.631
70 HG3 PRO 8 2HG PRO 8 -2.082 -5.965 -10.064
71 HD2 PRO 8 1HD PRO 8 -2.219 -3.839 -8.393
72 HD3 PRO 8 2HD PRO 8 -1.115 -5.202 -8.117
73 H ASN 9 H ASN 9 -1.423 -1.871 -10.071
74 HA ASN 9 HA ASN 9 -1.428 -0.775 -12.690
75 HB2 ASN 9 1HB ASN 9 -3.340 -0.663 -11.062
76 HB3 ASN 9 2HB ASN 9 -2.426 0.540 -10.157
77 HD21 ASN 9 2HD2 ASN 9 -3.697 2.278 -10.459
78 HD22 ASN 9 1HD2 ASN 9 -4.039 2.981 -12.000
79 H GLY 10 H GLY 10 0.576 -0.304 -9.953
80 HA2 GLY 10 1HA GLY 10 2.692 0.815 -10.253
81 HA3 GLY 10 2HA GLY 10 1.892 1.937 -11.343
82 H SER 11 H SER 11 -0.093 1.352 -8.732
83 HA SER 11 HA SER 11 0.906 3.755 -7.347
84 HB2 SER 11 1HB SER 11 -1.323 3.927 -8.594
85 HB3 SER 11 2HB SER 11 -1.974 2.850 -7.358
86 HG SER 11 HG SER 11 -0.799 5.403 -6.959
87 H ILE 12 H ILE 12 0.022 3.868 -5.027
88 HA ILE 12 HA ILE 12 0.377 1.219 -3.789
89 HB ILE 12 HB ILE 12 1.074 2.537 -1.744
90 HG12 ILE 12 1HG1 ILE 12 1.322 4.771 -3.769
91 HG13 ILE 12 2HG1 ILE 12 0.120 4.702 -2.485
92 HG21 ILE 12 1HG2 ILE 12 2.654 1.364 -3.222
93 HG22 ILE 12 2HG2 ILE 12 2.809 2.829 -4.192
94 HG23 ILE 12 3HG2 ILE 12 3.353 2.821 -2.514
95 HD11 ILE 12 3HD1 ILE 12 3.102 4.883 -2.136
96 HD12 ILE 12 1HD1 ILE 12 1.925 6.167 -1.861
97 HD13 ILE 12 2HD1 ILE 12 1.929 4.740 -0.826
98 H SER 13 H SER 13 -0.827 0.743 -1.878
99 HA SER 13 HA SER 13 -3.545 1.326 -2.032
100 HB2 SER 13 1HB SER 13 -2.233 -0.556 -0.741
101 HB3 SER 13 2HB SER 13 -2.325 0.583 0.602
102 HG SER 13 HG SER 13 -4.551 -0.334 -0.903
103 H ASP 14 H ASP 14 -4.716 2.142 0.108
104 HA ASP 14 HA ASP 14 -3.628 4.828 0.643
105 HB2 ASP 14 1HB ASP 14 -6.122 5.295 1.227
106 HB3 ASP 14 2HB ASP 14 -5.641 5.205 -0.465
107 H TYR 15 H TYR 15 -5.095 1.974 2.062
108 HA TYR 15 HA TYR 15 -4.340 2.992 4.720
109 HB2 TYR 15 1HB TYR 15 -6.837 1.484 3.941
110 HB3 TYR 15 2HB TYR 15 -6.300 1.659 5.608
111 HD1 TYR 15 HD1 TYR 15 -5.425 4.412 5.777
112 HD2 TYR 15 HD2 TYR 15 -8.740 2.774 3.673
113 HE1 TYR 15 HE1 TYR 15 -6.582 6.578 5.927
114 HE2 TYR 15 HE2 TYR 15 -9.906 4.935 3.814
115 HH TYR 15 HH TYR 15 -8.391 7.740 5.385
116 H CYS 16 H CYS 16 -3.386 1.553 6.110
117 HA CYS 16 HA CYS 16 -2.937 -1.175 5.097
118 HB2 CYS 16 1HB CYS 16 -0.639 -1.015 6.139
119 HB3 CYS 16 2HB CYS 16 -0.885 -0.025 4.703
120 H GLU 17 H GLU 17 -2.587 -2.793 6.694
121 HA GLU 17 HA GLU 17 -3.161 -2.051 9.464
122 HB2 GLU 17 1HB GLU 17 -4.851 -3.839 9.659
123 HB3 GLU 17 2HB GLU 17 -5.342 -2.578 8.536
124 HG2 GLU 17 1HG GLU 17 -5.936 -4.512 7.432
125 HG3 GLU 17 2HG GLU 17 -4.371 -4.122 6.720
126 H TYR 18 H TYR 18 -2.529 -3.626 11.012
127 HA TYR 18 HA TYR 18 -0.628 -5.612 9.950
128 HB2 TYR 18 1HB TYR 18 0.428 -3.749 11.206
129 HB3 TYR 18 2HB TYR 18 -0.521 -4.194 12.620
130 HD1 TYR 18 HD2 TYR 18 2.038 -5.502 10.259
131 HD2 TYR 18 HD1 TYR 18 0.273 -5.806 14.119
132 HE1 TYR 18 HE2 TYR 18 3.795 -7.086 10.931
133 HE2 TYR 18 HE1 TYR 18 2.026 -7.390 14.802
134 HH TYR 18 HH TYR 18 4.626 -7.776 13.863
Start of MODEL 6
1 H1 ASP 1 H ASP 1 5.292 4.727 11.326
2 HA ASP 1 HA ASP 1 5.345 5.351 8.544
3 HB2 ASP 1 1HB ASP 1 7.752 5.323 8.882
4 HB3 ASP 1 2HB ASP 1 7.650 3.756 9.677
5 H CYS 2 H CYS 2 4.047 3.969 7.517
6 HA CYS 2 HA CYS 2 3.455 1.400 8.834
7 HB2 CYS 2 1HB CYS 2 1.604 3.151 8.708
8 HB3 CYS 2 2HB CYS 2 1.598 2.874 6.969
9 H LYS 3 H LYS 3 3.529 -0.451 7.661
10 HA LYS 3 HA LYS 3 5.056 -0.513 5.294
11 HB2 LYS 3 1HB LYS 3 3.470 -2.525 6.837
12 HB3 LYS 3 2HB LYS 3 4.042 -2.946 5.227
13 HG2 LYS 3 1HG LYS 3 5.769 -3.723 6.496
14 HG3 LYS 3 2HG LYS 3 6.336 -2.083 6.168
15 HD2 LYS 3 1HD LYS 3 6.671 -2.249 8.446
16 HD3 LYS 3 2HD LYS 3 5.074 -1.502 8.373
17 HE2 LYS 3 1HE LYS 3 3.996 -3.567 8.833
18 HE3 LYS 3 2HE LYS 3 5.488 -4.475 8.593
19 HZ1 LYS 3 3HZ LYS 3 5.080 -2.492 10.762
20 HZ2 LYS 3 1HZ LYS 3 6.399 -3.534 10.571
21 HZ3 LYS 3 2HZ LYS 3 4.875 -4.160 10.952
22 H ARG 4 H ARG 4 4.517 -0.429 3.199
23 HA ARG 4 HA ARG 4 1.656 -0.531 2.504
24 HB2 ARG 4 1HB ARG 4 2.052 1.167 0.802
25 HB3 ARG 4 2HB ARG 4 2.516 1.769 2.388
26 HG2 ARG 4 1HG ARG 4 4.609 0.517 0.694
27 HG3 ARG 4 2HG ARG 4 4.035 2.131 0.270
28 HD2 ARG 4 1HD ARG 4 4.402 2.536 2.862
29 HD3 ARG 4 2HD ARG 4 5.547 1.210 2.657
30 HE ARG 4 HE ARG 4 5.887 3.239 0.681
31 HH11 ARG 4 1HH1 ARG 4 6.597 2.389 3.981
32 HH12 ARG 4 2HH1 ARG 4 8.017 3.378 4.068
33 HH21 ARG 4 1HH2 ARG 4 7.755 4.544 0.782
34 HH22 ARG 4 2HH2 ARG 4 8.674 4.604 2.247
35 H LYS 5 H LYS 5 1.361 -0.900 0.075
36 HA LYS 5 HA LYS 5 3.414 -2.704 -0.998
37 HB2 LYS 5 1HB LYS 5 1.483 -3.918 0.194
38 HB3 LYS 5 2HB LYS 5 0.487 -3.392 -1.156
39 HG2 LYS 5 1HG LYS 5 2.445 -4.484 -2.557
40 HG3 LYS 5 2HG LYS 5 2.660 -5.408 -1.069
41 HD2 LYS 5 1HD LYS 5 0.057 -5.141 -2.570
42 HD3 LYS 5 2HD LYS 5 1.158 -6.515 -2.700
43 HE2 LYS 5 1HE LYS 5 0.884 -6.959 -0.311
44 HE3 LYS 5 2HE LYS 5 -0.205 -5.579 -0.175
45 HZ1 LYS 5 3HZ LYS 5 -1.229 -7.883 -0.418
46 HZ2 LYS 5 1HZ LYS 5 -0.768 -7.795 -2.045
47 HZ3 LYS 5 2HZ LYS 5 -1.840 -6.653 -1.406
48 H VAL 6 H VAL 6 3.605 -2.721 -3.212
49 HA VAL 6 HA VAL 6 2.321 -0.513 -4.596
50 HB VAL 6 HB VAL 6 4.375 -2.439 -5.685
51 HG11 VAL 6 1HG1 VAL 6 3.155 0.107 -6.639
52 HG12 VAL 6 2HG1 VAL 6 4.831 -0.251 -7.061
53 HG13 VAL 6 3HG1 VAL 6 3.544 -1.363 -7.534
54 HG21 VAL 6 3HG2 VAL 6 4.642 -0.314 -3.732
55 HG22 VAL 6 1HG2 VAL 6 5.815 -1.525 -4.251
56 HG23 VAL 6 2HG2 VAL 6 5.635 -0.025 -5.162
57 H TYR 7 H TYR 7 0.795 -0.682 -6.134
58 HA TYR 7 HA TYR 7 -0.272 -3.355 -6.675
59 HB2 TYR 7 1HB TYR 7 -1.405 -0.605 -6.650
60 HB3 TYR 7 2HB TYR 7 -2.112 -1.757 -7.777
61 HD1 TYR 7 HD1 TYR 7 -1.254 -1.323 -4.180
62 HD2 TYR 7 HD2 TYR 7 -3.727 -3.270 -7.041
63 HE1 TYR 7 HE1 TYR 7 -2.614 -2.260 -2.358
64 HE2 TYR 7 HE2 TYR 7 -5.095 -4.212 -5.227
65 HH TYR 7 HH TYR 7 -4.125 -4.137 -1.966
66 HA PRO 8 HA PRO 8 0.961 -3.483 -10.883
67 HB2 PRO 8 1HB PRO 8 -1.219 -4.551 -12.099
68 HB3 PRO 8 2HB PRO 8 -0.150 -5.488 -11.048
69 HG2 PRO 8 1HG PRO 8 -2.792 -4.225 -10.424
70 HG3 PRO 8 2HG PRO 8 -2.181 -5.826 -9.968
71 HD2 PRO 8 1HD PRO 8 -2.178 -3.726 -8.260
72 HD3 PRO 8 2HD PRO 8 -0.935 -4.992 -8.218
73 H ASN 9 H ASN 9 -1.861 -1.683 -10.013
74 HA ASN 9 HA ASN 9 -2.436 -0.581 -12.570
75 HB2 ASN 9 1HB ASN 9 -3.139 0.285 -9.764
76 HB3 ASN 9 2HB ASN 9 -3.683 1.158 -11.194
77 HD21 ASN 9 2HD2 ASN 9 -5.301 -0.136 -9.221
78 HD22 ASN 9 1HD2 ASN 9 -6.208 -1.362 -10.034
79 H GLY 10 H GLY 10 -0.023 0.043 -10.220
80 HA2 GLY 10 1HA GLY 10 1.902 1.346 -10.864
81 HA3 GLY 10 2HA GLY 10 0.827 2.402 -11.770
82 H SER 11 H SER 11 -0.604 1.625 -8.863
83 HA SER 11 HA SER 11 0.402 4.107 -7.630
84 HB2 SER 11 1HB SER 11 -1.959 4.248 -8.364
85 HB3 SER 11 2HB SER 11 -2.347 2.869 -7.336
86 HG SER 11 HG SER 11 -1.891 4.087 -5.543
87 H ILE 12 H ILE 12 0.033 4.137 -5.196
88 HA ILE 12 HA ILE 12 1.001 1.588 -4.111
89 HB ILE 12 HB ILE 12 1.077 4.286 -2.765
90 HG12 ILE 12 1HG1 ILE 12 2.358 4.320 -4.880
91 HG13 ILE 12 2HG1 ILE 12 3.405 4.448 -3.471
92 HG21 ILE 12 1HG2 ILE 12 2.607 1.745 -2.227
93 HG22 ILE 12 2HG2 ILE 12 2.745 3.256 -1.329
94 HG23 ILE 12 3HG2 ILE 12 1.239 2.338 -1.284
95 HD11 ILE 12 3HD1 ILE 12 4.023 2.125 -3.677
96 HD12 ILE 12 1HD1 ILE 12 2.901 1.921 -5.022
97 HD13 ILE 12 2HD1 ILE 12 4.312 2.967 -5.200
98 H SER 13 H SER 13 0.063 0.620 -2.334
99 HA SER 13 HA SER 13 -2.707 0.816 -2.046
100 HB2 SER 13 1HB SER 13 -2.516 -0.789 -0.318
101 HB3 SER 13 2HB SER 13 -1.165 -1.128 -1.400
102 HG SER 13 HG SER 13 -1.155 -0.294 1.204
103 H ASP 14 H ASP 14 -4.031 1.677 -0.443
104 HA ASP 14 HA ASP 14 -2.774 3.725 1.264
105 HB2 ASP 14 1HB ASP 14 -5.086 4.880 1.023
106 HB3 ASP 14 2HB ASP 14 -3.935 5.002 -0.307
107 H TYR 15 H TYR 15 -3.135 1.119 2.151
108 HA TYR 15 HA TYR 15 -5.061 1.565 4.302
109 HB2 TYR 15 1HB TYR 15 -6.226 0.230 2.558
110 HB3 TYR 15 2HB TYR 15 -4.982 -1.005 2.707
111 HD1 TYR 15 HD2 TYR 15 -7.423 0.873 4.823
112 HD2 TYR 15 HD1 TYR 15 -5.364 -2.785 4.131
113 HE1 TYR 15 HE2 TYR 15 -8.700 -0.183 6.642
114 HE2 TYR 15 HE1 TYR 15 -6.635 -3.852 5.946
115 HH TYR 15 HH TYR 15 -7.848 -3.088 8.037
116 H CYS 16 H CYS 16 -4.657 0.313 6.191
117 HA CYS 16 HA CYS 16 -2.037 -1.025 6.254
118 HB2 CYS 16 1HB CYS 16 -3.079 1.147 8.048
119 HB3 CYS 16 2HB CYS 16 -1.904 -0.016 8.653
120 H GLU 17 H GLU 17 -1.773 -2.580 7.962
121 HA GLU 17 HA GLU 17 -4.341 -3.746 8.795
122 HB2 GLU 17 1HB GLU 17 -3.173 -5.878 8.944
123 HB3 GLU 17 2HB GLU 17 -2.955 -5.171 7.350
124 HG2 GLU 17 1HG GLU 17 -0.735 -4.335 8.094
125 HG3 GLU 17 2HG GLU 17 -0.959 -5.224 9.599
126 H TYR 18 H TYR 18 -4.657 -4.433 10.910
127 HA TYR 18 HA TYR 18 -2.597 -3.677 12.865
128 HB2 TYR 18 1HB TYR 18 -4.606 -2.015 12.532
129 HB3 TYR 18 2HB TYR 18 -5.484 -3.197 13.497
130 HD1 TYR 18 HD1 TYR 18 -4.867 -3.599 15.836
131 HD2 TYR 18 HD2 TYR 18 -2.897 -0.628 13.513
132 HE1 TYR 18 HE1 TYR 18 -3.957 -2.603 17.893
133 HE2 TYR 18 HE2 TYR 18 -1.981 0.375 15.562
134 HH TYR 18 HH TYR 18 -2.247 0.443 17.857
Start of MODEL 7
1 H1 ASP 1 H ASP 1 6.085 1.540 11.423
2 HA ASP 1 HA ASP 1 4.405 -0.387 12.882
3 HB2 ASP 1 1HB ASP 1 3.854 2.552 12.431
4 HB3 ASP 1 2HB ASP 1 2.658 1.404 13.024
5 H CYS 2 H CYS 2 3.783 2.146 10.461
6 HA CYS 2 HA CYS 2 2.737 0.050 8.672
7 HB2 CYS 2 1HB CYS 2 1.596 2.717 9.422
8 HB3 CYS 2 2HB CYS 2 1.251 2.041 7.834
9 H LYS 3 H LYS 3 3.020 0.357 6.438
10 HA LYS 3 HA LYS 3 4.667 2.596 5.556
11 HB2 LYS 3 1HB LYS 3 5.538 -0.266 5.596
12 HB3 LYS 3 2HB LYS 3 6.071 0.771 4.279
13 HG2 LYS 3 1HG LYS 3 6.892 2.371 6.071
14 HG3 LYS 3 2HG LYS 3 6.633 1.051 7.214
15 HD2 LYS 3 1HD LYS 3 8.069 -0.347 5.595
16 HD3 LYS 3 2HD LYS 3 8.561 1.209 4.919
17 HE2 LYS 3 1HE LYS 3 8.766 0.527 7.847
18 HE3 LYS 3 2HE LYS 3 10.076 0.264 6.695
19 HZ1 LYS 3 3HZ LYS 3 9.631 2.768 6.164
20 HZ2 LYS 3 1HZ LYS 3 10.596 2.328 7.482
21 HZ3 LYS 3 2HZ LYS 3 8.986 2.783 7.727
22 H ARG 4 H ARG 4 4.592 2.975 3.315
23 HA ARG 4 HA ARG 4 2.163 2.394 2.060
24 HB2 ARG 4 1HB ARG 4 3.190 3.353 0.032
25 HB3 ARG 4 2HB ARG 4 3.479 4.343 1.457
26 HG2 ARG 4 1HG ARG 4 5.730 3.732 1.571
27 HG3 ARG 4 2HG ARG 4 5.496 2.340 0.512
28 HD2 ARG 4 1HD ARG 4 6.469 3.814 -0.947
29 HD3 ARG 4 2HD ARG 4 4.765 4.177 -1.212
30 HE ARG 4 HE ARG 4 5.758 5.840 0.823
31 HH11 ARG 4 1HH1 ARG 4 6.026 5.343 -2.612
32 HH12 ARG 4 2HH1 ARG 4 6.396 7.001 -2.955
33 HH21 ARG 4 1HH2 ARG 4 6.243 8.026 0.384
34 HH22 ARG 4 2HH2 ARG 4 6.520 8.526 -1.249
35 H LYS 5 H LYS 5 1.721 1.153 0.157
36 HA LYS 5 HA LYS 5 3.599 -1.024 -0.414
37 HB2 LYS 5 1HB LYS 5 1.657 -1.567 1.288
38 HB3 LYS 5 2HB LYS 5 0.692 -1.682 -0.178
39 HG2 LYS 5 1HG LYS 5 2.054 -3.441 -1.029
40 HG3 LYS 5 2HG LYS 5 3.237 -3.223 0.263
41 HD2 LYS 5 1HD LYS 5 2.035 -5.052 1.010
42 HD3 LYS 5 2HD LYS 5 1.223 -3.717 1.832
43 HE2 LYS 5 1HE LYS 5 -0.465 -5.142 0.941
44 HE3 LYS 5 2HE LYS 5 -0.431 -3.681 -0.046
45 HZ1 LYS 5 3HZ LYS 5 1.269 -5.223 -1.387
46 HZ2 LYS 5 1HZ LYS 5 -0.391 -5.170 -1.712
47 HZ3 LYS 5 2HZ LYS 5 0.245 -6.412 -0.756
48 H VAL 6 H VAL 6 3.771 -1.476 -2.525
49 HA VAL 6 HA VAL 6 2.132 0.032 -4.391
50 HB VAL 6 HB VAL 6 4.487 -1.785 -4.918
51 HG11 VAL 6 1HG1 VAL 6 4.485 -0.330 -7.075
52 HG12 VAL 6 2HG1 VAL 6 3.388 -1.707 -6.949
53 HG13 VAL 6 3HG1 VAL 6 2.786 -0.072 -6.679
54 HG21 VAL 6 3HG2 VAL 6 5.851 -0.086 -4.441
55 HG22 VAL 6 1HG2 VAL 6 4.881 1.047 -5.382
56 HG23 VAL 6 2HG2 VAL 6 4.461 0.710 -3.703
57 H TYR 7 H TYR 7 0.624 -0.792 -5.728
58 HA TYR 7 HA TYR 7 -0.039 -3.628 -5.403
59 HB2 TYR 7 1HB TYR 7 -1.592 -1.178 -6.068
60 HB3 TYR 7 2HB TYR 7 -2.147 -2.701 -6.752
61 HD1 TYR 7 HD1 TYR 7 -0.783 -1.666 -3.422
62 HD2 TYR 7 HD2 TYR 7 -3.921 -3.573 -5.573
63 HE1 TYR 7 HE1 TYR 7 -1.905 -2.202 -1.299
64 HE2 TYR 7 HE2 TYR 7 -5.052 -4.112 -3.457
65 HH TYR 7 HH TYR 7 -5.027 -3.046 -1.032
66 HA PRO 8 HA PRO 8 1.056 -4.778 -9.493
67 HB2 PRO 8 1HB PRO 8 -0.967 -6.447 -10.194
68 HB3 PRO 8 2HB PRO 8 0.272 -6.883 -9.010
69 HG2 PRO 8 1HG PRO 8 -2.514 -5.882 -8.558
70 HG3 PRO 8 2HG PRO 8 -1.642 -7.183 -7.724
71 HD2 PRO 8 1HD PRO 8 -1.915 -4.703 -6.671
72 HD3 PRO 8 2HD PRO 8 -0.486 -5.715 -6.376
73 H ASN 9 H ASN 9 -2.014 -3.261 -8.949
74 HA ASN 9 HA ASN 9 -2.842 -3.022 -11.649
75 HB2 ASN 9 1HB ASN 9 -4.153 -2.644 -9.400
76 HB3 ASN 9 2HB ASN 9 -3.592 -0.986 -9.586
77 HD21 ASN 9 2HD2 ASN 9 -5.638 -3.480 -10.839
78 HD22 ASN 9 1HD2 ASN 9 -6.530 -2.484 -11.933
79 H GLY 10 H GLY 10 -0.455 -1.416 -9.791
80 HA2 GLY 10 1HA GLY 10 1.215 -0.111 -10.941
81 HA3 GLY 10 2HA GLY 10 -0.047 0.477 -12.011
82 H SER 11 H SER 11 -1.213 0.401 -8.892
83 HA SER 11 HA SER 11 -0.553 3.247 -8.507
84 HB2 SER 11 1HB SER 11 -2.953 2.765 -9.044
85 HB3 SER 11 2HB SER 11 -3.048 1.819 -7.559
86 HG SER 11 HG SER 11 -2.948 4.563 -7.919
87 H ILE 12 H ILE 12 -0.799 3.944 -6.162
88 HA ILE 12 HA ILE 12 0.481 1.918 -4.452
89 HB ILE 12 HB ILE 12 0.607 4.927 -4.217
90 HG12 ILE 12 1HG1 ILE 12 2.838 3.038 -4.966
91 HG13 ILE 12 2HG1 ILE 12 1.829 3.833 -6.168
92 HG21 ILE 12 1HG2 ILE 12 2.617 4.065 -2.687
93 HG22 ILE 12 2HG2 ILE 12 0.990 4.331 -2.063
94 HG23 ILE 12 3HG2 ILE 12 1.515 2.702 -2.490
95 HD11 ILE 12 3HD1 ILE 12 3.503 5.338 -6.105
96 HD12 ILE 12 1HD1 ILE 12 2.567 5.970 -4.750
97 HD13 ILE 12 2HD1 ILE 12 3.960 4.929 -4.452
98 H SER 13 H SER 13 -0.267 1.535 -2.400
99 HA SER 13 HA SER 13 -3.019 2.048 -1.910
100 HB2 SER 13 1HB SER 13 -2.747 0.751 0.079
101 HB3 SER 13 2HB SER 13 -1.718 0.012 -1.147
102 HG SER 13 HG SER 13 -0.931 1.717 0.977
103 H ASP 14 H ASP 14 -3.873 3.054 0.063
104 HA ASP 14 HA ASP 14 -2.332 5.464 0.754
105 HB2 ASP 14 1HB ASP 14 -5.292 4.948 0.554
106 HB3 ASP 14 2HB ASP 14 -4.658 6.329 1.446
107 H TYR 15 H TYR 15 -4.455 2.966 2.095
108 HA TYR 15 HA TYR 15 -3.577 3.726 4.795
109 HB2 TYR 15 1HB TYR 15 -6.009 2.341 3.731
110 HB3 TYR 15 2HB TYR 15 -5.499 2.031 5.386
111 HD1 TYR 15 HD2 TYR 15 -5.994 4.979 3.133
112 HD2 TYR 15 HD1 TYR 15 -6.493 3.315 7.016
113 HE1 TYR 15 HE2 TYR 15 -7.133 7.035 3.860
114 HE2 TYR 15 HE1 TYR 15 -7.635 5.365 7.754
115 HH TYR 15 HH TYR 15 -7.549 8.234 6.040
116 H CYS 16 H CYS 16 -3.324 1.852 6.335
117 HA CYS 16 HA CYS 16 -1.890 -0.341 4.986
118 HB2 CYS 16 1HB CYS 16 -0.464 -0.489 6.965
119 HB3 CYS 16 2HB CYS 16 -0.411 1.134 6.285
120 H GLU 17 H GLU 17 -1.982 -2.437 5.964
121 HA GLU 17 HA GLU 17 -4.130 -2.851 7.911
122 HB2 GLU 17 1HB GLU 17 -5.103 -3.142 5.651
123 HB3 GLU 17 2HB GLU 17 -3.908 -4.386 5.316
124 HG2 GLU 17 1HG GLU 17 -4.832 -5.636 7.302
125 HG3 GLU 17 2HG GLU 17 -6.155 -4.472 7.303
126 H TYR 18 H TYR 18 -3.856 -4.608 9.246
127 HA TYR 18 HA TYR 18 -1.188 -5.781 9.222
128 HB2 TYR 18 1HB TYR 18 -2.097 -4.785 11.310
129 HB3 TYR 18 2HB TYR 18 -3.365 -6.007 11.311
130 HD1 TYR 18 HD2 TYR 18 0.350 -5.670 11.310
131 HD2 TYR 18 HD1 TYR 18 -3.019 -8.010 12.438
132 HE1 TYR 18 HE2 TYR 18 1.830 -7.191 12.554
133 HE2 TYR 18 HE1 TYR 18 -1.550 -9.536 13.685
134 HH TYR 18 HH TYR 18 0.559 -10.087 14.157
Start of MODEL 8
1 H1 ASP 1 H ASP 1 4.422 6.039 11.047
2 HA ASP 1 HA ASP 1 5.489 5.426 8.398
3 HB2 ASP 1 1HB ASP 1 7.354 4.359 9.721
4 HB3 ASP 1 2HB ASP 1 7.160 6.091 9.972
5 H CYS 2 H CYS 2 3.910 3.996 7.637
6 HA CYS 2 HA CYS 2 3.928 1.361 8.954
7 HB2 CYS 2 1HB CYS 2 1.743 2.527 9.215
8 HB3 CYS 2 2HB CYS 2 1.599 2.583 7.461
9 H LYS 3 H LYS 3 4.002 -0.446 7.626
10 HA LYS 3 HA LYS 3 5.328 -0.106 5.137
11 HB2 LYS 3 1HB LYS 3 5.709 -2.042 6.622
12 HB3 LYS 3 2HB LYS 3 4.069 -2.594 6.311
13 HG2 LYS 3 1HG LYS 3 4.580 -2.979 3.996
14 HG3 LYS 3 2HG LYS 3 6.183 -2.269 4.193
15 HD2 LYS 3 1HD LYS 3 6.916 -4.064 5.547
16 HD3 LYS 3 2HD LYS 3 5.272 -4.671 5.759
17 HE2 LYS 3 1HE LYS 3 6.168 -6.124 4.186
18 HE3 LYS 3 2HE LYS 3 5.292 -4.959 3.194
19 HZ1 LYS 3 3HZ LYS 3 7.595 -5.539 2.428
20 HZ2 LYS 3 1HZ LYS 3 8.186 -4.709 3.778
21 HZ3 LYS 3 2HZ LYS 3 7.289 -3.886 2.605
22 H ARG 4 H ARG 4 4.420 0.426 3.272
23 HA ARG 4 HA ARG 4 1.568 -0.008 2.867
24 HB2 ARG 4 1HB ARG 4 3.526 1.392 1.042
25 HB3 ARG 4 2HB ARG 4 1.770 1.476 0.981
26 HG2 ARG 4 1HG ARG 4 1.724 2.646 3.104
27 HG3 ARG 4 2HG ARG 4 3.478 2.508 3.235
28 HD2 ARG 4 1HD ARG 4 3.696 3.817 1.148
29 HD3 ARG 4 2HD ARG 4 1.945 4.016 1.122
30 HE ARG 4 HE ARG 4 2.722 4.939 3.579
31 HH11 ARG 4 1HH1 ARG 4 3.520 5.691 0.274
32 HH12 ARG 4 2HH1 ARG 4 3.863 7.358 0.600
33 HH21 ARG 4 1HH2 ARG 4 3.170 7.131 4.020
34 HH22 ARG 4 2HH2 ARG 4 3.665 8.175 2.732
35 H LYS 5 H LYS 5 0.937 -0.630 0.546
36 HA LYS 5 HA LYS 5 2.654 -2.840 -0.376
37 HB2 LYS 5 1HB LYS 5 -0.358 -2.767 -0.149
38 HB3 LYS 5 2HB LYS 5 0.528 -4.019 -1.012
39 HG2 LYS 5 1HG LYS 5 1.412 -4.916 0.931
40 HG3 LYS 5 2HG LYS 5 1.148 -3.434 1.853
41 HD2 LYS 5 1HD LYS 5 -0.553 -4.742 2.667
42 HD3 LYS 5 2HD LYS 5 -1.378 -3.943 1.326
43 HE2 LYS 5 1HE LYS 5 -1.156 -5.853 -0.061
44 HE3 LYS 5 2HE LYS 5 -0.021 -6.615 1.051
45 HZ1 LYS 5 3HZ LYS 5 -1.978 -7.698 1.520
46 HZ2 LYS 5 1HZ LYS 5 -2.939 -6.325 1.293
47 HZ3 LYS 5 2HZ LYS 5 -1.997 -6.475 2.689
48 H VAL 6 H VAL 6 3.050 -2.960 -2.517
49 HA VAL 6 HA VAL 6 2.057 -0.787 -4.182
50 HB VAL 6 HB VAL 6 4.132 -2.897 -4.791
51 HG11 VAL 6 1HG1 VAL 6 3.222 -0.457 -6.298
52 HG12 VAL 6 2HG1 VAL 6 4.763 -1.261 -6.608
53 HG13 VAL 6 3HG1 VAL 6 3.247 -2.132 -6.850
54 HG21 VAL 6 3HG2 VAL 6 5.414 -1.698 -3.410
55 HG22 VAL 6 1HG2 VAL 6 5.385 -0.446 -4.652
56 HG23 VAL 6 2HG2 VAL 6 4.234 -0.391 -3.317
57 H TYR 7 H TYR 7 0.603 -1.005 -5.769
58 HA TYR 7 HA TYR 7 -0.493 -3.680 -6.253
59 HB2 TYR 7 1HB TYR 7 -1.584 -0.914 -6.387
60 HB3 TYR 7 2HB TYR 7 -2.254 -2.102 -7.499
61 HD1 TYR 7 HD1 TYR 7 -1.173 -2.277 -3.922
62 HD2 TYR 7 HD2 TYR 7 -4.311 -2.818 -6.744
63 HE1 TYR 7 HE1 TYR 7 -2.631 -3.123 -2.130
64 HE2 TYR 7 HE2 TYR 7 -5.777 -3.664 -4.959
65 HH TYR 7 HH TYR 7 -5.383 -4.815 -2.645
66 HA PRO 8 HA PRO 8 0.950 -3.970 -10.385
67 HB2 PRO 8 1HB PRO 8 -1.181 -5.048 -11.676
68 HB3 PRO 8 2HB PRO 8 -0.182 -5.963 -10.540
69 HG2 PRO 8 1HG PRO 8 -2.832 -4.644 -10.094
70 HG3 PRO 8 2HG PRO 8 -2.271 -6.237 -9.555
71 HD2 PRO 8 1HD PRO 8 -2.323 -4.078 -7.920
72 HD3 PRO 8 2HD PRO 8 -1.102 -5.360 -7.772
73 H ASN 9 H ASN 9 -1.914 -2.127 -9.739
74 HA ASN 9 HA ASN 9 -2.344 -1.103 -12.348
75 HB2 ASN 9 1HB ASN 9 -3.082 0.109 -9.674
76 HB3 ASN 9 2HB ASN 9 -3.742 0.584 -11.237
77 HD21 ASN 9 2HD2 ASN 9 -4.186 -1.320 -8.555
78 HD22 ASN 9 1HD2 ASN 9 -5.380 -2.399 -9.181
79 H GLY 10 H GLY 10 -0.013 -0.429 -9.931
80 HA2 GLY 10 1HA GLY 10 1.962 0.810 -10.550
81 HA3 GLY 10 2HA GLY 10 0.946 1.849 -11.538
82 H SER 11 H SER 11 -0.613 1.218 -8.662
83 HA SER 11 HA SER 11 0.393 3.729 -7.492
84 HB2 SER 11 1HB SER 11 -2.069 3.499 -8.400
85 HB3 SER 11 2HB SER 11 -2.340 2.680 -6.863
86 HG SER 11 HG SER 11 -2.733 4.904 -6.664
87 H ILE 12 H ILE 12 -0.054 3.868 -5.079
88 HA ILE 12 HA ILE 12 0.572 1.268 -3.835
89 HB ILE 12 HB ILE 12 1.410 3.999 -2.854
90 HG12 ILE 12 1HG1 ILE 12 3.117 1.852 -4.129
91 HG13 ILE 12 2HG1 ILE 12 2.519 3.270 -4.983
92 HG21 ILE 12 1HG2 ILE 12 1.601 2.883 -0.922
93 HG22 ILE 12 2HG2 ILE 12 1.481 1.310 -1.711
94 HG23 ILE 12 3HG2 ILE 12 3.029 2.154 -1.659
95 HD11 ILE 12 3HD1 ILE 12 4.799 2.985 -3.241
96 HD12 ILE 12 1HD1 ILE 12 4.391 4.279 -4.367
97 HD13 ILE 12 2HD1 ILE 12 3.745 4.301 -2.727
98 H SER 13 H SER 13 -0.446 0.700 -1.940
99 HA SER 13 HA SER 13 -3.053 1.602 -1.519
100 HB2 SER 13 1HB SER 13 -2.239 -0.614 -0.800
101 HB3 SER 13 2HB SER 13 -1.254 0.158 0.442
102 HG SER 13 HG SER 13 -4.053 -0.075 0.279
103 H ASP 14 H ASP 14 -4.001 2.840 0.126
104 HA ASP 14 HA ASP 14 -2.277 4.970 1.125
105 HB2 ASP 14 1HB ASP 14 -4.483 6.030 1.767
106 HB3 ASP 14 2HB ASP 14 -4.246 5.764 0.042
107 H TYR 15 H TYR 15 -4.558 2.548 2.338
108 HA TYR 15 HA TYR 15 -3.619 3.113 5.069
109 HB2 TYR 15 1HB TYR 15 -6.215 2.119 3.969
110 HB3 TYR 15 2HB TYR 15 -5.737 1.627 5.590
111 HD1 TYR 15 HD1 TYR 15 -4.629 3.863 6.876
112 HD2 TYR 15 HD2 TYR 15 -7.769 3.814 4.005
113 HE1 TYR 15 HE1 TYR 15 -5.477 5.990 7.775
114 HE2 TYR 15 HE2 TYR 15 -8.624 5.941 4.895
115 HH TYR 15 HH TYR 15 -7.683 7.211 7.841
116 H CYS 16 H CYS 16 -3.183 1.336 6.476
117 HA CYS 16 HA CYS 16 -2.507 -1.161 5.063
118 HB2 CYS 16 1HB CYS 16 -0.612 -1.365 6.723
119 HB3 CYS 16 2HB CYS 16 -0.437 -0.075 5.537
120 H GLU 17 H GLU 17 -2.906 -3.085 6.108
121 HA GLU 17 HA GLU 17 -4.182 -2.932 8.752
122 HB2 GLU 17 1HB GLU 17 -5.274 -4.059 6.224
123 HB3 GLU 17 2HB GLU 17 -5.600 -4.938 7.710
124 HG2 GLU 17 1HG GLU 17 -6.188 -2.011 7.375
125 HG3 GLU 17 2HG GLU 17 -7.350 -3.282 6.998
126 H TYR 18 H TYR 18 -3.425 -4.363 10.176
127 HA TYR 18 HA TYR 18 -1.813 -6.608 9.152
128 HB2 TYR 18 1HB TYR 18 -0.443 -4.933 10.305
129 HB3 TYR 18 2HB TYR 18 -1.466 -5.064 11.732
130 HD1 TYR 18 HD2 TYR 18 1.064 -6.779 9.682
131 HD2 TYR 18 HD1 TYR 18 -1.231 -6.897 13.263
132 HE1 TYR 18 HE2 TYR 18 2.497 -8.588 10.534
133 HE2 TYR 18 HE1 TYR 18 0.196 -8.705 14.125
134 HH TYR 18 HH TYR 18 3.156 -9.519 12.762
Start of MODEL 9
1 H1 ASP 1 H ASP 1 3.638 0.068 13.156
2 HA ASP 1 HA ASP 1 5.262 1.648 11.281
3 HB2 ASP 1 1HB ASP 1 5.516 -1.198 12.254
4 HB3 ASP 1 2HB ASP 1 6.441 -0.568 10.894
5 H CYS 2 H CYS 2 4.363 1.934 9.359
6 HA CYS 2 HA CYS 2 2.746 -0.254 8.223
7 HB2 CYS 2 1HB CYS 2 2.338 2.700 8.256
8 HB3 CYS 2 2HB CYS 2 1.824 1.814 6.824
9 H LYS 3 H LYS 3 2.655 -0.160 5.778
10 HA LYS 3 HA LYS 3 5.089 0.891 4.554
11 HB2 LYS 3 1HB LYS 3 5.386 -1.372 3.399
12 HB3 LYS 3 2HB LYS 3 5.880 -1.261 5.083
13 HG2 LYS 3 1HG LYS 3 3.112 -2.161 4.508
14 HG3 LYS 3 2HG LYS 3 4.439 -3.277 4.174
15 HD2 LYS 3 1HD LYS 3 4.422 -1.871 6.794
16 HD3 LYS 3 2HD LYS 3 3.256 -3.173 6.546
17 HE2 LYS 3 1HE LYS 3 6.177 -3.523 5.942
18 HE3 LYS 3 2HE LYS 3 5.528 -3.778 7.562
19 HZ1 LYS 3 3HZ LYS 3 4.033 -5.447 6.660
20 HZ2 LYS 3 1HZ LYS 3 5.641 -5.844 6.318
21 HZ3 LYS 3 2HZ LYS 3 4.652 -5.200 5.106
22 H ARG 4 H ARG 4 4.533 1.924 2.763
23 HA ARG 4 HA ARG 4 2.000 2.016 1.665
24 HB2 ARG 4 1HB ARG 4 3.199 2.889 -0.416
25 HB3 ARG 4 2HB ARG 4 3.473 3.758 1.088
26 HG2 ARG 4 1HG ARG 4 5.651 3.102 1.236
27 HG3 ARG 4 2HG ARG 4 5.372 1.597 0.358
28 HD2 ARG 4 1HD ARG 4 6.647 2.968 -1.082
29 HD3 ARG 4 2HD ARG 4 4.997 3.013 -1.698
30 HE ARG 4 HE ARG 4 4.899 5.250 -1.196
31 HH11 ARG 4 1HH1 ARG 4 7.677 3.833 0.351
32 HH12 ARG 4 2HH1 ARG 4 8.342 5.356 0.844
33 HH21 ARG 4 1HH2 ARG 4 5.763 7.260 -0.552
34 HH22 ARG 4 2HH2 ARG 4 7.252 7.303 0.330
35 H LYS 5 H LYS 5 0.940 0.219 1.063
36 HA LYS 5 HA LYS 5 2.164 -2.023 -0.175
37 HB2 LYS 5 1HB LYS 5 -0.053 -1.869 1.171
38 HB3 LYS 5 2HB LYS 5 -0.772 -1.422 -0.371
39 HG2 LYS 5 1HG LYS 5 -0.504 -3.502 -1.262
40 HG3 LYS 5 2HG LYS 5 0.914 -3.864 -0.274
41 HD2 LYS 5 1HD LYS 5 -0.730 -5.235 0.637
42 HD3 LYS 5 2HD LYS 5 -0.741 -3.832 1.709
43 HE2 LYS 5 1HE LYS 5 -2.711 -2.982 0.744
44 HE3 LYS 5 2HE LYS 5 -2.584 -4.048 -0.654
45 HZ1 LYS 5 3HZ LYS 5 -4.251 -4.941 0.726
46 HZ2 LYS 5 1HZ LYS 5 -3.312 -4.778 2.122
47 HZ3 LYS 5 2HZ LYS 5 -2.899 -5.930 0.955
48 H VAL 6 H VAL 6 2.999 -1.970 -2.154
49 HA VAL 6 HA VAL 6 1.918 -0.188 -4.177
50 HB VAL 6 HB VAL 6 4.355 -0.391 -3.932
51 HG11 VAL 6 1HG1 VAL 6 3.901 -3.058 -3.585
52 HG12 VAL 6 2HG1 VAL 6 4.532 -3.008 -5.232
53 HG13 VAL 6 3HG1 VAL 6 5.476 -2.333 -3.904
54 HG21 VAL 6 3HG2 VAL 6 4.850 -0.911 -6.362
55 HG22 VAL 6 1HG2 VAL 6 3.139 -1.307 -6.526
56 HG23 VAL 6 2HG2 VAL 6 3.627 0.324 -6.063
57 H TYR 7 H TYR 7 0.638 -0.772 -5.819
58 HA TYR 7 HA TYR 7 -0.111 -3.597 -6.029
59 HB2 TYR 7 1HB TYR 7 -1.477 -1.018 -6.642
60 HB3 TYR 7 2HB TYR 7 -1.926 -2.434 -7.585
61 HD1 TYR 7 HD2 TYR 7 -2.006 -4.621 -5.791
62 HD2 TYR 7 HD1 TYR 7 -3.054 -0.569 -5.026
63 HE1 TYR 7 HE2 TYR 7 -3.503 -5.355 -3.982
64 HE2 TYR 7 HE1 TYR 7 -4.553 -1.292 -3.215
65 HH TYR 7 HH TYR 7 -5.692 -4.266 -2.849
66 HA PRO 8 HA PRO 8 1.722 -4.217 -9.966
67 HB2 PRO 8 1HB PRO 8 -0.153 -5.694 -11.258
68 HB3 PRO 8 2HB PRO 8 0.834 -6.336 -9.939
69 HG2 PRO 8 1HG PRO 8 -1.973 -5.300 -9.873
70 HG3 PRO 8 2HG PRO 8 -1.291 -6.735 -9.086
71 HD2 PRO 8 1HD PRO 8 -1.728 -4.415 -7.760
72 HD3 PRO 8 2HD PRO 8 -0.392 -5.511 -7.352
73 H ASN 9 H ASN 9 -1.366 -2.657 -9.781
74 HA ASN 9 HA ASN 9 -1.669 -2.023 -12.530
75 HB2 ASN 9 1HB ASN 9 -2.772 -0.507 -10.156
76 HB3 ASN 9 2HB ASN 9 -3.386 -0.478 -11.807
77 HD21 ASN 9 2HD2 ASN 9 -4.090 -2.611 -12.674
78 HD22 ASN 9 1HD2 ASN 9 -4.922 -3.672 -11.593
79 H GLY 10 H GLY 10 0.339 -0.781 -10.049
80 HA2 GLY 10 1HA GLY 10 2.212 0.606 -10.667
81 HA3 GLY 10 2HA GLY 10 1.182 1.385 -11.860
82 H SER 11 H SER 11 -0.556 0.920 -9.057
83 HA SER 11 HA SER 11 0.057 3.656 -8.145
84 HB2 SER 11 1HB SER 11 -2.264 3.046 -9.220
85 HB3 SER 11 2HB SER 11 -2.600 2.372 -7.625
86 HG SER 11 HG SER 11 -3.248 4.510 -7.645
87 H ILE 12 H ILE 12 -0.675 4.017 -5.812
88 HA ILE 12 HA ILE 12 0.182 1.704 -4.202
89 HB ILE 12 HB ILE 12 0.808 3.425 -2.468
90 HG12 ILE 12 1HG1 ILE 12 0.453 5.307 -4.813
91 HG13 ILE 12 2HG1 ILE 12 -0.533 5.283 -3.356
92 HG21 ILE 12 1HG2 ILE 12 2.368 3.855 -4.990
93 HG22 ILE 12 2HG2 ILE 12 2.952 3.700 -3.334
94 HG23 ILE 12 3HG2 ILE 12 2.344 2.283 -4.190
95 HD11 ILE 12 3HD1 ILE 12 0.856 6.916 -2.708
96 HD12 ILE 12 1HD1 ILE 12 1.923 5.578 -2.283
97 HD13 ILE 12 2HD1 ILE 12 2.131 6.419 -3.819
98 H SER 13 H SER 13 -0.862 1.289 -2.227
99 HA SER 13 HA SER 13 -3.666 1.862 -2.241
100 HB2 SER 13 1HB SER 13 -2.060 0.534 -0.048
101 HB3 SER 13 2HB SER 13 -3.798 0.407 -0.320
102 HG SER 13 HG SER 13 -3.092 -1.359 -1.307
103 H ASP 14 H ASP 14 -4.541 2.289 0.198
104 HA ASP 14 HA ASP 14 -3.262 4.803 1.054
105 HB2 ASP 14 1HB ASP 14 -5.507 5.022 -0.097
106 HB3 ASP 14 2HB ASP 14 -6.206 4.168 1.277
107 H TYR 15 H TYR 15 -5.692 2.520 2.326
108 HA TYR 15 HA TYR 15 -4.820 2.936 5.022
109 HB2 TYR 15 1HB TYR 15 -7.186 2.359 4.257
110 HB3 TYR 15 2HB TYR 15 -6.610 0.707 4.059
111 HD1 TYR 15 HD2 TYR 15 -6.076 3.295 6.706
112 HD2 TYR 15 HD1 TYR 15 -7.431 -0.623 5.753
113 HE1 TYR 15 HE2 TYR 15 -6.500 2.868 9.091
114 HE2 TYR 15 HE1 TYR 15 -7.861 -1.061 8.135
115 HH TYR 15 HH TYR 15 -8.387 0.535 10.234
116 H CYS 16 H CYS 16 -3.607 1.631 6.319
117 HA CYS 16 HA CYS 16 -2.349 -0.706 5.038
118 HB2 CYS 16 1HB CYS 16 -0.331 -0.197 6.412
119 HB3 CYS 16 2HB CYS 16 -0.707 1.054 5.232
120 H GLU 17 H GLU 17 -2.186 -2.567 6.206
121 HA GLU 17 HA GLU 17 -3.804 -2.726 8.606
122 HB2 GLU 17 1HB GLU 17 -2.357 -4.909 7.095
123 HB3 GLU 17 2HB GLU 17 -3.532 -5.148 8.381
124 HG2 GLU 17 1HG GLU 17 -5.159 -3.870 6.882
125 HG3 GLU 17 2HG GLU 17 -3.984 -4.142 5.597
126 H TYR 18 H TYR 18 -3.097 -3.431 10.616
127 HA TYR 18 HA TYR 18 -0.177 -3.371 11.010
128 HB2 TYR 18 1HB TYR 18 -0.557 -2.374 13.196
129 HB3 TYR 18 2HB TYR 18 -1.320 -1.391 11.952
130 HD1 TYR 18 HD1 TYR 18 -3.822 -1.607 11.612
131 HD2 TYR 18 HD2 TYR 18 -1.811 -3.245 14.986
132 HE1 TYR 18 HE1 TYR 18 -5.961 -1.729 12.821
133 HE2 TYR 18 HE2 TYR 18 -3.945 -3.374 16.203
134 HH TYR 18 HH TYR 18 -6.656 -1.750 15.336
Start of MODEL 10
1 H1 ASP 1 H ASP 1 2.228 2.296 12.688
2 HA ASP 1 HA ASP 1 3.978 1.127 10.865
3 HB2 ASP 1 1HB ASP 1 3.016 0.217 13.101
4 HB3 ASP 1 2HB ASP 1 1.721 -0.428 12.095
5 H CYS 2 H CYS 2 3.505 1.728 8.757
6 HA CYS 2 HA CYS 2 1.199 0.339 7.581
7 HB2 CYS 2 1HB CYS 2 2.093 3.137 6.853
8 HB3 CYS 2 2HB CYS 2 0.793 2.236 6.082
9 H LYS 3 H LYS 3 1.519 -0.524 5.548
10 HA LYS 3 HA LYS 3 4.298 -0.452 4.574
11 HB2 LYS 3 1HB LYS 3 3.222 -2.650 5.457
12 HB3 LYS 3 2HB LYS 3 2.362 -2.652 3.922
13 HG2 LYS 3 1HG LYS 3 4.268 -4.013 3.636
14 HG3 LYS 3 2HG LYS 3 4.601 -2.502 2.788
15 HD2 LYS 3 1HD LYS 3 6.573 -2.766 3.921
16 HD3 LYS 3 2HD LYS 3 5.662 -1.832 5.110
17 HE2 LYS 3 1HE LYS 3 5.494 -4.807 5.173
18 HE3 LYS 3 2HE LYS 3 6.946 -4.024 5.794
19 HZ1 LYS 3 3HZ LYS 3 5.792 -3.860 7.680
20 HZ2 LYS 3 1HZ LYS 3 4.305 -4.153 6.927
21 HZ3 LYS 3 2HZ LYS 3 4.958 -2.593 6.931
22 H ARG 4 H ARG 4 4.628 0.467 2.665
23 HA ARG 4 HA ARG 4 2.353 1.179 1.005
24 HB2 ARG 4 1HB ARG 4 5.282 1.893 0.899
25 HB3 ARG 4 2HB ARG 4 4.136 2.387 -0.339
26 HG2 ARG 4 1HG ARG 4 2.796 3.454 1.529
27 HG3 ARG 4 2HG ARG 4 4.212 3.192 2.550
28 HD2 ARG 4 1HD ARG 4 4.253 4.695 -0.062
29 HD3 ARG 4 2HD ARG 4 4.092 5.460 1.519
30 HE ARG 4 HE ARG 4 6.490 4.517 0.321
31 HH11 ARG 4 1HH1 ARG 4 4.870 4.876 3.381
32 HH12 ARG 4 2HH1 ARG 4 6.339 4.961 4.297
33 HH21 ARG 4 1HH2 ARG 4 8.431 4.629 1.515
34 HH22 ARG 4 2HH2 ARG 4 8.363 4.821 3.234
35 H LYS 5 H LYS 5 1.655 -0.578 -0.107
36 HA LYS 5 HA LYS 5 3.596 -2.227 -1.540
37 HB2 LYS 5 1HB LYS 5 1.539 -3.074 -0.149
38 HB3 LYS 5 2HB LYS 5 0.638 -2.696 -1.612
39 HG2 LYS 5 1HG LYS 5 1.185 -4.984 -1.733
40 HG3 LYS 5 2HG LYS 5 2.265 -4.157 -2.857
41 HD2 LYS 5 1HD LYS 5 4.118 -4.514 -1.551
42 HD3 LYS 5 2HD LYS 5 3.182 -4.592 -0.056
43 HE2 LYS 5 1HE LYS 5 3.129 -6.702 -2.209
44 HE3 LYS 5 2HE LYS 5 4.155 -6.773 -0.777
45 HZ1 LYS 5 3HZ LYS 5 1.345 -6.304 -0.256
46 HZ2 LYS 5 1HZ LYS 5 2.437 -7.331 0.529
47 HZ3 LYS 5 2HZ LYS 5 1.703 -7.821 -0.914
48 H VAL 6 H VAL 6 3.950 -2.057 -3.660
49 HA VAL 6 HA VAL 6 2.429 -0.087 -5.173
50 HB VAL 6 HB VAL 6 4.877 -1.649 -6.007
51 HG11 VAL 6 1HG1 VAL 6 4.778 0.733 -7.409
52 HG12 VAL 6 2HG1 VAL 6 4.372 -0.866 -8.032
53 HG13 VAL 6 3HG1 VAL 6 3.104 0.180 -7.394
54 HG21 VAL 6 3HG2 VAL 6 5.819 -0.368 -4.391
55 HG22 VAL 6 1HG2 VAL 6 5.776 0.852 -5.664
56 HG23 VAL 6 2HG2 VAL 6 4.521 0.825 -4.425
57 H TYR 7 H TYR 7 0.951 -0.571 -6.666
58 HA TYR 7 HA TYR 7 0.497 -3.395 -7.294
59 HB2 TYR 7 1HB TYR 7 -1.217 -0.957 -7.239
60 HB3 TYR 7 2HB TYR 7 -1.654 -2.248 -8.352
61 HD1 TYR 7 HD2 TYR 7 -1.214 -4.690 -6.991
62 HD2 TYR 7 HD1 TYR 7 -2.564 -0.993 -5.371
63 HE1 TYR 7 HE2 TYR 7 -2.320 -5.903 -5.158
64 HE2 TYR 7 HE1 TYR 7 -3.671 -2.197 -3.533
65 HH TYR 7 HH TYR 7 -3.575 -4.306 -2.391
66 HA PRO 8 HA PRO 8 1.746 -3.114 -11.490
67 HB2 PRO 8 1HB PRO 8 -0.138 -4.598 -12.762
68 HB3 PRO 8 2HB PRO 8 1.108 -5.308 -11.728
69 HG2 PRO 8 1HG PRO 8 -1.751 -4.682 -11.094
70 HG3 PRO 8 2HG PRO 8 -0.803 -6.122 -10.680
71 HD2 PRO 8 1HD PRO 8 -1.273 -4.128 -8.909
72 HD3 PRO 8 2HD PRO 8 0.221 -5.088 -8.892
73 H ASN 9 H ASN 9 -1.428 -2.036 -10.610
74 HA ASN 9 HA ASN 9 -2.220 -1.004 -13.133
75 HB2 ASN 9 1HB ASN 9 -3.117 -0.009 -10.425
76 HB3 ASN 9 2HB ASN 9 -3.992 0.095 -11.950
77 HD21 ASN 9 2HD2 ASN 9 -5.109 -0.982 -9.664
78 HD22 ASN 9 1HD2 ASN 9 -5.362 -2.674 -9.902
79 H GLY 10 H GLY 10 -0.006 0.072 -10.750
80 HA2 GLY 10 1HA GLY 10 1.582 1.786 -11.343
81 HA3 GLY 10 2HA GLY 10 0.302 2.604 -12.225
82 H SER 11 H SER 11 -0.923 1.446 -9.352
83 HA SER 11 HA SER 11 -0.498 4.054 -8.048
84 HB2 SER 11 1HB SER 11 -2.856 3.455 -8.861
85 HB3 SER 11 2HB SER 11 -2.875 2.260 -7.564
86 HG SER 11 HG SER 11 -3.146 4.978 -7.443
87 H ILE 12 H ILE 12 -0.854 3.934 -5.614
88 HA ILE 12 HA ILE 12 0.500 1.531 -4.581
89 HB ILE 12 HB ILE 12 0.528 4.273 -3.325
90 HG12 ILE 12 1HG1 ILE 12 3.047 3.986 -4.170
91 HG13 ILE 12 2HG1 ILE 12 2.246 3.041 -5.421
92 HG21 ILE 12 1HG2 ILE 12 1.054 2.829 -1.622
93 HG22 ILE 12 2HG2 ILE 12 1.790 1.647 -2.704
94 HG23 ILE 12 3HG2 ILE 12 2.654 3.130 -2.298
95 HD11 ILE 12 3HD1 ILE 12 1.042 5.660 -4.863
96 HD12 ILE 12 1HD1 ILE 12 2.665 5.697 -5.552
97 HD13 ILE 12 2HD1 ILE 12 1.366 4.855 -6.399
98 H SER 13 H SER 13 -0.149 0.680 -2.577
99 HA SER 13 HA SER 13 -2.954 1.188 -1.957
100 HB2 SER 13 1HB SER 13 -2.094 -1.147 -2.324
101 HB3 SER 13 2HB SER 13 -1.156 -0.973 -0.841
102 HG SER 13 HG SER 13 -3.159 -1.982 -0.442
103 H ASP 14 H ASP 14 -3.709 1.808 0.040
104 HA ASP 14 HA ASP 14 -1.666 2.803 1.917
105 HB2 ASP 14 1HB ASP 14 -4.483 3.847 1.572
106 HB3 ASP 14 2HB ASP 14 -3.207 4.550 2.562
107 H TYR 15 H TYR 15 -1.913 0.396 2.552
108 HA TYR 15 HA TYR 15 -4.200 -0.001 4.342
109 HB2 TYR 15 1HB TYR 15 -3.671 -1.780 2.690
110 HB3 TYR 15 2HB TYR 15 -2.102 -1.993 3.458
111 HD1 TYR 15 HD2 TYR 15 -5.437 -1.485 5.036
112 HD2 TYR 15 HD1 TYR 15 -2.184 -4.142 4.360
113 HE1 TYR 15 HE2 TYR 15 -6.431 -3.092 6.610
114 HE2 TYR 15 HE1 TYR 15 -3.169 -5.758 5.931
115 HH TYR 15 HH TYR 15 -4.755 -5.686 7.892
116 H CYS 16 H CYS 16 -3.998 -0.103 6.506
117 HA CYS 16 HA CYS 16 -1.290 -0.108 7.655
118 HB2 CYS 16 1HB CYS 16 -3.576 1.725 8.402
119 HB3 CYS 16 2HB CYS 16 -2.108 1.541 9.357
120 H GLU 17 H GLU 17 -1.053 -1.153 9.612
121 HA GLU 17 HA GLU 17 -3.357 -2.785 10.433
122 HB2 GLU 17 1HB GLU 17 -1.794 -4.395 11.288
123 HB3 GLU 17 2HB GLU 17 -1.309 -3.977 9.651
124 HG2 GLU 17 1HG GLU 17 0.334 -2.368 10.655
125 HG3 GLU 17 2HG GLU 17 -0.056 -3.069 12.226
126 H TYR 18 H TYR 18 -3.767 -3.122 12.668
127 HA TYR 18 HA TYR 18 -2.701 -0.986 14.398
128 HB2 TYR 18 1HB TYR 18 -5.071 -0.644 13.851
129 HB3 TYR 18 2HB TYR 18 -5.450 -2.250 14.462
130 HD1 TYR 18 HD2 TYR 18 -3.637 0.793 15.675
131 HD2 TYR 18 HD1 TYR 18 -6.417 -2.307 16.548
132 HE1 TYR 18 HE2 TYR 18 -3.972 1.734 17.923
133 HE2 TYR 18 HE1 TYR 18 -6.760 -1.375 18.798
134 HH TYR 18 HH TYR 18 -5.140 0.203 20.403
Start of MODEL 11
1 H1 ASP 1 H ASP 1 4.893 -0.357 12.699
2 HA ASP 1 HA ASP 1 3.520 2.009 11.828
3 HB2 ASP 1 1HB ASP 1 6.450 1.643 11.260
4 HB3 ASP 1 2HB ASP 1 5.416 2.530 10.144
5 H CYS 2 H CYS 2 3.682 2.011 9.236
6 HA CYS 2 HA CYS 2 3.576 -0.751 8.260
7 HB2 CYS 2 1HB CYS 2 1.432 -0.343 7.141
8 HB3 CYS 2 2HB CYS 2 1.277 -0.156 8.885
9 H LYS 3 H LYS 3 3.896 -0.984 6.025
10 HA LYS 3 HA LYS 3 5.057 1.393 4.735
11 HB2 LYS 3 1HB LYS 3 5.700 -1.530 4.581
12 HB3 LYS 3 2HB LYS 3 6.109 -0.477 3.234
13 HG2 LYS 3 1HG LYS 3 6.959 0.201 6.022
14 HG3 LYS 3 2HG LYS 3 7.883 -0.935 5.037
15 HD2 LYS 3 1HD LYS 3 8.217 0.744 3.337
16 HD3 LYS 3 2HD LYS 3 7.166 1.872 4.195
17 HE2 LYS 3 1HE LYS 3 9.670 0.735 5.411
18 HE3 LYS 3 2HE LYS 3 9.665 2.220 4.461
19 HZ1 LYS 3 3HZ LYS 3 7.882 3.000 6.062
20 HZ2 LYS 3 1HZ LYS 3 9.457 2.901 6.671
21 HZ3 LYS 3 2HZ LYS 3 8.328 1.699 7.047
22 H ARG 4 H ARG 4 4.398 2.021 2.730
23 HA ARG 4 HA ARG 4 1.818 1.272 1.867
24 HB2 ARG 4 1HB ARG 4 3.989 3.021 0.816
25 HB3 ARG 4 2HB ARG 4 2.709 2.545 -0.291
26 HG2 ARG 4 1HG ARG 4 1.900 4.527 0.534
27 HG3 ARG 4 2HG ARG 4 1.131 3.358 1.609
28 HD2 ARG 4 1HD ARG 4 1.972 5.088 2.989
29 HD3 ARG 4 2HD ARG 4 3.061 3.716 3.189
30 HE ARG 4 HE ARG 4 3.994 5.456 1.155
31 HH11 ARG 4 1HH1 ARG 4 3.728 5.152 4.613
32 HH12 ARG 4 2HH1 ARG 4 5.104 6.153 4.938
33 HH21 ARG 4 1HH2 ARG 4 5.808 6.774 1.570
34 HH22 ARG 4 2HH2 ARG 4 6.286 7.076 3.206
35 H LYS 5 H LYS 5 1.115 -0.039 0.238
36 HA LYS 5 HA LYS 5 3.117 -1.874 -0.883
37 HB2 LYS 5 1HB LYS 5 0.122 -2.250 -0.782
38 HB3 LYS 5 2HB LYS 5 1.333 -3.463 -1.173
39 HG2 LYS 5 1HG LYS 5 2.227 -3.077 1.187
40 HG3 LYS 5 2HG LYS 5 0.703 -2.239 1.489
41 HD2 LYS 5 1HD LYS 5 0.864 -5.046 0.407
42 HD3 LYS 5 2HD LYS 5 0.748 -4.675 2.129
43 HE2 LYS 5 1HE LYS 5 -1.464 -4.961 1.632
44 HE3 LYS 5 2HE LYS 5 -1.305 -3.231 1.333
45 HZ1 LYS 5 3HZ LYS 5 -0.641 -4.601 -1.017
46 HZ2 LYS 5 1HZ LYS 5 -1.950 -3.566 -0.742
47 HZ3 LYS 5 2HZ LYS 5 -2.109 -5.224 -0.453
48 H VAL 6 H VAL 6 3.612 -1.761 -2.968
49 HA VAL 6 HA VAL 6 2.105 0.016 -4.703
50 HB VAL 6 HB VAL 6 4.559 0.119 -4.721
51 HG11 VAL 6 1HG1 VAL 6 4.889 -2.366 -6.246
52 HG12 VAL 6 2HG1 VAL 6 5.919 -1.646 -5.007
53 HG13 VAL 6 3HG1 VAL 6 4.502 -2.589 -4.541
54 HG21 VAL 6 3HG2 VAL 6 3.607 -0.943 -7.369
55 HG22 VAL 6 1HG2 VAL 6 3.131 0.637 -6.745
56 HG23 VAL 6 2HG2 VAL 6 4.830 0.290 -7.063
57 H TYR 7 H TYR 7 0.768 -0.593 -6.296
58 HA TYR 7 HA TYR 7 0.313 -3.464 -6.661
59 HB2 TYR 7 1HB TYR 7 -1.364 -1.019 -6.979
60 HB3 TYR 7 2HB TYR 7 -1.738 -2.412 -7.987
61 HD1 TYR 7 HD2 TYR 7 -1.436 -4.707 -6.356
62 HD2 TYR 7 HD1 TYR 7 -2.842 -0.854 -5.222
63 HE1 TYR 7 HE2 TYR 7 -2.690 -5.718 -4.497
64 HE2 TYR 7 HE1 TYR 7 -4.098 -1.854 -3.359
65 HH TYR 7 HH TYR 7 -4.224 -5.359 -2.900
66 HA PRO 8 HA PRO 8 1.867 -3.621 -10.760
67 HB2 PRO 8 1HB PRO 8 0.058 -5.212 -12.011
68 HB3 PRO 8 2HB PRO 8 1.214 -5.823 -10.822
69 HG2 PRO 8 1HG PRO 8 -1.673 -5.113 -10.467
70 HG3 PRO 8 2HG PRO 8 -0.779 -6.511 -9.842
71 HD2 PRO 8 1HD PRO 8 -1.345 -4.343 -8.320
72 HD3 PRO 8 2HD PRO 8 0.128 -5.309 -8.096
73 H ASN 9 H ASN 9 -1.342 -2.430 -10.229
74 HA ASN 9 HA ASN 9 -1.938 -1.656 -12.893
75 HB2 ASN 9 1HB ASN 9 -3.721 -1.881 -11.272
76 HB3 ASN 9 2HB ASN 9 -2.995 -0.647 -10.246
77 HD21 ASN 9 2HD2 ASN 9 -3.803 1.309 -10.420
78 HD22 ASN 9 1HD2 ASN 9 -4.668 1.938 -11.776
79 H GLY 10 H GLY 10 0.123 -0.362 -10.485
80 HA2 GLY 10 1HA GLY 10 1.780 1.264 -11.138
81 HA3 GLY 10 2HA GLY 10 0.578 1.999 -12.188
82 H SER 11 H SER 11 -0.863 1.160 -9.305
83 HA SER 11 HA SER 11 -0.482 3.885 -8.248
84 HB2 SER 11 1HB SER 11 -2.805 3.067 -9.169
85 HB3 SER 11 2HB SER 11 -2.915 2.257 -7.607
86 HG SER 11 HG SER 11 -3.019 4.952 -8.223
87 H ILE 12 H ILE 12 -1.000 4.026 -5.849
88 HA ILE 12 HA ILE 12 0.254 1.738 -4.482
89 HB ILE 12 HB ILE 12 0.176 4.606 -3.540
90 HG12 ILE 12 1HG1 ILE 12 1.533 4.433 -5.559
91 HG13 ILE 12 2HG1 ILE 12 2.571 4.664 -4.156
92 HG21 ILE 12 1HG2 ILE 12 0.615 3.580 -1.591
93 HG22 ILE 12 2HG2 ILE 12 1.089 2.073 -2.374
94 HG23 ILE 12 3HG2 ILE 12 2.239 3.404 -2.253
95 HD11 ILE 12 3HD1 ILE 12 3.738 2.987 -5.066
96 HD12 ILE 12 1HD1 ILE 12 2.519 1.971 -4.297
97 HD13 ILE 12 2HD1 ILE 12 2.364 2.398 -6.001
98 H SER 13 H SER 13 -0.604 0.978 -2.557
99 HA SER 13 HA SER 13 -3.438 1.411 -2.231
100 HB2 SER 13 1HB SER 13 -2.806 -0.847 -1.997
101 HB3 SER 13 2HB SER 13 -1.439 -0.447 -0.957
102 HG SER 13 HG SER 13 -2.837 -0.987 0.542
103 H ASP 14 H ASP 14 -4.478 2.200 -0.400
104 HA ASP 14 HA ASP 14 -2.772 3.784 1.407
105 HB2 ASP 14 1HB ASP 14 -4.734 5.292 1.669
106 HB3 ASP 14 2HB ASP 14 -4.124 5.234 0.018
107 H TYR 15 H TYR 15 -3.272 1.104 1.964
108 HA TYR 15 HA TYR 15 -5.109 1.311 4.259
109 HB2 TYR 15 1HB TYR 15 -5.992 -0.191 2.509
110 HB3 TYR 15 2HB TYR 15 -4.524 -1.157 2.607
111 HD1 TYR 15 HD2 TYR 15 -7.618 -0.207 4.357
112 HD2 TYR 15 HD1 TYR 15 -4.173 -2.704 4.413
113 HE1 TYR 15 HE2 TYR 15 -8.637 -1.563 6.138
114 HE2 TYR 15 HE1 TYR 15 -5.183 -4.068 6.193
115 HH TYR 15 HH TYR 15 -8.142 -3.115 7.782
116 H CYS 16 H CYS 16 -4.480 0.325 6.188
117 HA CYS 16 HA CYS 16 -1.801 -0.841 6.311
118 HB2 CYS 16 1HB CYS 16 -2.705 1.659 7.695
119 HB3 CYS 16 2HB CYS 16 -1.521 0.613 8.472
120 H GLU 17 H GLU 17 -1.456 -2.222 8.065
121 HA GLU 17 HA GLU 17 -3.918 -3.029 9.457
122 HB2 GLU 17 1HB GLU 17 -2.873 -4.742 8.018
123 HB3 GLU 17 2HB GLU 17 -1.393 -4.618 8.958
124 HG2 GLU 17 1HG GLU 17 -2.650 -6.563 9.627
125 HG3 GLU 17 2HG GLU 17 -2.594 -5.392 10.944
126 H TYR 18 H TYR 18 -4.079 -2.559 11.537
127 HA TYR 18 HA TYR 18 -1.609 -2.284 13.119
128 HB2 TYR 18 1HB TYR 18 -2.787 -0.548 14.451
129 HB3 TYR 18 2HB TYR 18 -2.546 -0.080 12.771
130 HD1 TYR 18 HD1 TYR 18 -4.465 -0.076 11.203
131 HD2 TYR 18 HD2 TYR 18 -4.979 -0.814 15.362
132 HE1 TYR 18 HE1 TYR 18 -6.872 0.376 10.980
133 HE2 TYR 18 HE2 TYR 18 -7.388 -0.365 15.150
134 HH TYR 18 HH TYR 18 -8.891 0.917 13.603
Start of MODEL 12
1 H1 ASP 1 H ASP 1 4.877 2.541 13.865
2 HA ASP 1 HA ASP 1 3.382 3.573 11.815
3 HB2 ASP 1 1HB ASP 1 5.436 4.099 10.693
4 HB3 ASP 1 2HB ASP 1 5.731 4.219 12.426
5 H CYS 2 H CYS 2 3.361 3.106 9.506
6 HA CYS 2 HA CYS 2 3.579 0.229 8.913
7 HB2 CYS 2 1HB CYS 2 1.322 2.128 8.325
8 HB3 CYS 2 2HB CYS 2 1.575 0.692 7.338
9 H LYS 3 H LYS 3 3.928 -0.298 6.673
10 HA LYS 3 HA LYS 3 5.281 1.874 5.213
11 HB2 LYS 3 1HB LYS 3 5.828 -1.083 5.366
12 HB3 LYS 3 2HB LYS 3 6.464 -0.098 4.056
13 HG2 LYS 3 1HG LYS 3 6.953 0.519 6.956
14 HG3 LYS 3 2HG LYS 3 8.022 -0.497 5.985
15 HD2 LYS 3 1HD LYS 3 8.402 1.344 4.442
16 HD3 LYS 3 2HD LYS 3 7.280 2.360 5.351
17 HE2 LYS 3 1HE LYS 3 8.868 1.787 7.354
18 HE3 LYS 3 2HE LYS 3 10.027 1.438 6.072
19 HZ1 LYS 3 3HZ LYS 3 10.024 3.774 6.986
20 HZ2 LYS 3 1HZ LYS 3 8.540 3.994 6.204
21 HZ3 LYS 3 2HZ LYS 3 9.925 3.637 5.302
22 H ARG 4 H ARG 4 4.739 2.294 3.132
23 HA ARG 4 HA ARG 4 2.251 1.266 2.162
24 HB2 ARG 4 1HB ARG 4 2.606 2.766 0.263
25 HB3 ARG 4 2HB ARG 4 2.900 3.596 1.785
26 HG2 ARG 4 1HG ARG 4 4.698 4.329 0.614
27 HG3 ARG 4 2HG ARG 4 5.389 2.852 1.290
28 HD2 ARG 4 1HD ARG 4 5.193 1.696 -0.725
29 HD3 ARG 4 2HD ARG 4 4.002 2.827 -1.365
30 HE ARG 4 HE ARG 4 6.504 4.097 -0.901
31 HH11 ARG 4 1HH1 ARG 4 4.810 2.006 -3.109
32 HH12 ARG 4 2HH1 ARG 4 5.767 2.461 -4.480
33 HH21 ARG 4 1HH2 ARG 4 7.772 4.704 -2.698
34 HH22 ARG 4 2HH2 ARG 4 7.453 3.995 -4.245
35 H LYS 5 H LYS 5 2.063 0.521 -0.161
36 HA LYS 5 HA LYS 5 4.339 -1.036 -1.106
37 HB2 LYS 5 1HB LYS 5 1.766 -2.193 -0.104
38 HB3 LYS 5 2HB LYS 5 2.608 -2.984 -1.430
39 HG2 LYS 5 1HG LYS 5 3.919 -2.340 1.197
40 HG3 LYS 5 2HG LYS 5 3.102 -3.870 0.867
41 HD2 LYS 5 1HD LYS 5 5.185 -2.889 -1.034
42 HD3 LYS 5 2HD LYS 5 5.688 -3.623 0.491
43 HE2 LYS 5 1HE LYS 5 4.417 -5.632 -0.044
44 HE3 LYS 5 2HE LYS 5 3.862 -4.896 -1.546
45 HZ1 LYS 5 3HZ LYS 5 5.881 -5.158 -2.531
46 HZ2 LYS 5 1HZ LYS 5 5.922 -6.493 -1.492
47 HZ3 LYS 5 2HZ LYS 5 6.747 -5.076 -1.080
48 H VAL 6 H VAL 6 4.149 -1.717 -3.298
49 HA VAL 6 HA VAL 6 2.312 -0.034 -4.834
50 HB VAL 6 HB VAL 6 4.685 0.136 -5.402
51 HG11 VAL 6 1HG1 VAL 6 4.684 -2.632 -5.029
52 HG12 VAL 6 2HG1 VAL 6 5.004 -2.389 -6.747
53 HG13 VAL 6 3HG1 VAL 6 6.036 -1.623 -5.541
54 HG21 VAL 6 3HG2 VAL 6 3.043 0.517 -7.156
55 HG22 VAL 6 1HG2 VAL 6 4.491 -0.238 -7.821
56 HG23 VAL 6 2HG2 VAL 6 3.040 -1.202 -7.549
57 H TYR 7 H TYR 7 0.728 -0.829 -6.093
58 HA TYR 7 HA TYR 7 0.306 -3.729 -6.043
59 HB2 TYR 7 1HB TYR 7 -1.482 -1.358 -6.247
60 HB3 TYR 7 2HB TYR 7 -2.000 -2.838 -7.047
61 HD1 TYR 7 HD1 TYR 7 -0.511 -1.859 -3.753
62 HD2 TYR 7 HD2 TYR 7 -3.404 -4.189 -5.827
63 HE1 TYR 7 HE1 TYR 7 -1.348 -2.719 -1.607
64 HE2 TYR 7 HE2 TYR 7 -4.250 -5.055 -3.685
65 HH TYR 7 HH TYR 7 -3.471 -3.690 -0.714
66 HA PRO 8 HA PRO 8 1.020 -4.316 -10.332
67 HB2 PRO 8 1HB PRO 8 -0.945 -6.060 -11.019
68 HB3 PRO 8 2HB PRO 8 0.445 -6.520 -10.029
69 HG2 PRO 8 1HG PRO 8 -2.337 -5.815 -9.177
70 HG3 PRO 8 2HG PRO 8 -1.289 -7.123 -8.600
71 HD2 PRO 8 1HD PRO 8 -1.617 -4.809 -7.233
72 HD3 PRO 8 2HD PRO 8 -0.096 -5.724 -7.210
73 H ASN 9 H ASN 9 -2.068 -3.128 -9.298
74 HA ASN 9 HA ASN 9 -3.210 -2.661 -11.849
75 HB2 ASN 9 1HB ASN 9 -3.748 -1.635 -9.081
76 HB3 ASN 9 2HB ASN 9 -4.563 -0.907 -10.462
77 HD21 ASN 9 2HD2 ASN 9 -3.699 -4.227 -9.552
78 HD22 ASN 9 1HD2 ASN 9 -5.290 -4.873 -9.745
79 H GLY 10 H GLY 10 -0.746 -1.080 -10.071
80 HA2 GLY 10 1HA GLY 10 0.690 0.476 -11.225
81 HA3 GLY 10 2HA GLY 10 -0.724 1.076 -12.080
82 H SER 11 H SER 11 -1.521 0.557 -8.888
83 HA SER 11 HA SER 11 -1.031 3.390 -8.240
84 HB2 SER 11 1HB SER 11 -3.435 2.741 -8.561
85 HB3 SER 11 2HB SER 11 -3.272 1.653 -7.183
86 HG SER 11 HG SER 11 -3.086 3.345 -5.845
87 H ILE 12 H ILE 12 -0.995 3.821 -5.838
88 HA ILE 12 HA ILE 12 0.520 1.685 -4.486
89 HB ILE 12 HB ILE 12 0.757 4.668 -4.077
90 HG12 ILE 12 1HG1 ILE 12 2.811 2.795 -5.251
91 HG13 ILE 12 2HG1 ILE 12 1.670 3.693 -6.246
92 HG21 ILE 12 1HG2 ILE 12 1.179 3.429 -2.033
93 HG22 ILE 12 2HG2 ILE 12 2.317 2.383 -2.881
94 HG23 ILE 12 3HG2 ILE 12 2.683 4.094 -2.668
95 HD11 ILE 12 3HD1 ILE 12 4.164 4.536 -5.338
96 HD12 ILE 12 1HD1 ILE 12 2.936 5.502 -6.157
97 HD13 ILE 12 2HD1 ILE 12 2.986 5.449 -4.395
98 H SER 13 H SER 13 0.098 1.232 -2.340
99 HA SER 13 HA SER 13 -2.557 1.918 -1.437
100 HB2 SER 13 1HB SER 13 -2.079 -0.318 -0.999
101 HB3 SER 13 2HB SER 13 -0.420 0.027 -0.511
102 HG SER 13 HG SER 13 -1.166 0.024 1.444
103 H ASP 14 H ASP 14 -3.109 3.139 0.319
104 HA ASP 14 HA ASP 14 -0.926 4.682 1.557
105 HB2 ASP 14 1HB ASP 14 -3.687 5.442 0.693
106 HB3 ASP 14 2HB ASP 14 -2.950 6.298 2.044
107 H TYR 15 H TYR 15 -3.837 2.832 2.108
108 HA TYR 15 HA TYR 15 -3.851 3.367 4.954
109 HB2 TYR 15 1HB TYR 15 -5.749 1.756 4.983
110 HB3 TYR 15 2HB TYR 15 -5.989 3.093 3.864
111 HD1 TYR 15 HD2 TYR 15 -4.879 -0.458 4.001
112 HD2 TYR 15 HD1 TYR 15 -6.519 2.672 1.631
113 HE1 TYR 15 HE2 TYR 15 -5.298 -2.062 2.185
114 HE2 TYR 15 HE1 TYR 15 -6.945 1.076 -0.192
115 HH TYR 15 HH TYR 15 -6.936 -2.200 0.194
116 H CYS 16 H CYS 16 -3.765 1.621 6.541
117 HA CYS 16 HA CYS 16 -2.008 -0.590 5.701
118 HB2 CYS 16 1HB CYS 16 -0.655 0.988 6.925
119 HB3 CYS 16 2HB CYS 16 -1.848 1.078 8.216
120 H GLU 17 H GLU 17 -2.629 -2.578 6.290
121 HA GLU 17 HA GLU 17 -4.795 -2.811 8.275
122 HB2 GLU 17 1HB GLU 17 -5.729 -4.643 7.008
123 HB3 GLU 17 2HB GLU 17 -5.560 -3.246 5.957
124 HG2 GLU 17 1HG GLU 17 -3.565 -4.187 4.967
125 HG3 GLU 17 2HG GLU 17 -3.640 -5.560 6.071
126 H TYR 18 H TYR 18 -4.818 -4.711 9.565
127 HA TYR 18 HA TYR 18 -2.207 -6.070 9.719
128 HB2 TYR 18 1HB TYR 18 -2.510 -6.226 12.134
129 HB3 TYR 18 2HB TYR 18 -2.598 -4.545 11.618
130 HD1 TYR 18 HD1 TYR 18 -4.769 -3.369 11.592
131 HD2 TYR 18 HD2 TYR 18 -4.401 -7.326 13.111
132 HE1 TYR 18 HE1 TYR 18 -6.944 -3.134 12.716
133 HE2 TYR 18 HE2 TYR 18 -6.576 -7.102 14.238
134 HH TYR 18 HH TYR 18 -8.803 -4.903 13.515
Start of MODEL 13
1 H1 ASP 1 H ASP 1 4.884 5.996 10.870
2 HA ASP 1 HA ASP 1 4.683 5.204 8.283
3 HB2 ASP 1 1HB ASP 1 6.778 4.246 10.246
4 HB3 ASP 1 2HB ASP 1 6.936 4.236 8.491
5 H CYS 2 H CYS 2 3.585 3.601 7.382
6 HA CYS 2 HA CYS 2 3.618 0.964 8.695
7 HB2 CYS 2 1HB CYS 2 1.375 2.526 7.521
8 HB3 CYS 2 2HB CYS 2 1.360 0.783 7.274
9 H LYS 3 H LYS 3 3.053 -0.826 7.088
10 HA LYS 3 HA LYS 3 4.973 -0.766 4.990
11 HB2 LYS 3 1HB LYS 3 3.994 -2.768 6.402
12 HB3 LYS 3 2HB LYS 3 2.819 -2.837 5.095
13 HG2 LYS 3 1HG LYS 3 5.017 -2.776 3.617
14 HG3 LYS 3 2HG LYS 3 5.714 -3.467 5.083
15 HD2 LYS 3 1HD LYS 3 3.658 -5.068 4.971
16 HD3 LYS 3 2HD LYS 3 3.607 -4.579 3.276
17 HE2 LYS 3 1HE LYS 3 4.913 -6.547 3.355
18 HE3 LYS 3 2HE LYS 3 6.049 -5.214 3.152
19 HZ1 LYS 3 3HZ LYS 3 6.996 -5.636 5.112
20 HZ2 LYS 3 1HZ LYS 3 6.226 -7.141 5.037
21 HZ3 LYS 3 2HZ LYS 3 5.519 -5.871 5.902
22 H ARG 4 H ARG 4 4.748 -0.421 2.849
23 HA ARG 4 HA ARG 4 2.072 0.355 1.903
24 HB2 ARG 4 1HB ARG 4 3.307 1.599 0.121
25 HB3 ARG 4 2HB ARG 4 3.622 2.180 1.750
26 HG2 ARG 4 1HG ARG 4 5.730 0.910 1.770
27 HG3 ARG 4 2HG ARG 4 5.417 0.407 0.109
28 HD2 ARG 4 1HD ARG 4 5.373 3.312 0.765
29 HD3 ARG 4 2HD ARG 4 6.930 2.494 0.643
30 HE ARG 4 HE ARG 4 5.358 1.874 -1.609
31 HH11 ARG 4 1HH1 ARG 4 7.123 4.516 -0.186
32 HH12 ARG 4 2HH1 ARG 4 7.465 5.277 -1.705
33 HH21 ARG 4 1HH2 ARG 4 5.801 2.866 -3.615
34 HH22 ARG 4 2HH2 ARG 4 6.712 4.338 -3.654
35 H LYS 5 H LYS 5 1.259 -0.454 -0.011
36 HA LYS 5 HA LYS 5 2.748 -2.717 -1.173
37 HB2 LYS 5 1HB LYS 5 0.690 -3.327 0.135
38 HB3 LYS 5 2HB LYS 5 -0.257 -2.425 -1.041
39 HG2 LYS 5 1HG LYS 5 0.607 -3.926 -2.814
40 HG3 LYS 5 2HG LYS 5 1.413 -4.875 -1.562
41 HD2 LYS 5 1HD LYS 5 -1.498 -4.323 -1.270
42 HD3 LYS 5 2HD LYS 5 -0.986 -5.524 -2.457
43 HE2 LYS 5 1HE LYS 5 0.405 -6.525 -0.550
44 HE3 LYS 5 2HE LYS 5 -0.578 -5.525 0.517
45 HZ1 LYS 5 3HZ LYS 5 -2.559 -6.607 -0.461
46 HZ2 LYS 5 1HZ LYS 5 -1.554 -7.682 0.372
47 HZ3 LYS 5 2HZ LYS 5 -1.540 -7.649 -1.319
48 H VAL 6 H VAL 6 3.234 -2.568 -3.260
49 HA VAL 6 HA VAL 6 2.076 -0.382 -4.819
50 HB VAL 6 HB VAL 6 4.365 -2.203 -5.571
51 HG11 VAL 6 1HG1 VAL 6 4.869 -0.084 -6.998
52 HG12 VAL 6 2HG1 VAL 6 3.661 -1.246 -7.551
53 HG13 VAL 6 3HG1 VAL 6 3.154 0.252 -6.769
54 HG21 VAL 6 3HG2 VAL 6 5.698 -0.059 -4.998
55 HG22 VAL 6 1HG2 VAL 6 4.288 0.359 -4.025
56 HG23 VAL 6 2HG2 VAL 6 5.186 -1.122 -3.687
57 H TYR 7 H TYR 7 0.705 -0.676 -6.464
58 HA TYR 7 HA TYR 7 -0.051 -3.426 -7.135
59 HB2 TYR 7 1HB TYR 7 -1.455 -0.800 -7.169
60 HB3 TYR 7 2HB TYR 7 -1.948 -2.001 -8.357
61 HD1 TYR 7 HD1 TYR 7 -0.969 -2.203 -4.751
62 HD2 TYR 7 HD2 TYR 7 -3.914 -3.014 -7.714
63 HE1 TYR 7 HE1 TYR 7 -2.368 -3.300 -3.052
64 HE2 TYR 7 HE2 TYR 7 -5.321 -4.113 -6.021
65 HH TYR 7 HH TYR 7 -4.871 -3.782 -2.758
66 HA PRO 8 HA PRO 8 1.543 -3.311 -11.219
67 HB2 PRO 8 1HB PRO 8 -0.406 -4.552 -12.645
68 HB3 PRO 8 2HB PRO 8 0.658 -5.410 -11.523
69 HG2 PRO 8 1HG PRO 8 -2.141 -4.432 -11.108
70 HG3 PRO 8 2HG PRO 8 -1.414 -5.977 -10.633
71 HD2 PRO 8 1HD PRO 8 -1.769 -3.938 -8.888
72 HD3 PRO 8 2HD PRO 8 -0.412 -5.076 -8.762
73 H ASN 9 H ASN 9 -1.540 -1.856 -10.589
74 HA ASN 9 HA ASN 9 -2.001 -0.737 -13.152
75 HB2 ASN 9 1HB ASN 9 -3.807 -0.956 -11.531
76 HB3 ASN 9 2HB ASN 9 -2.981 0.141 -10.427
77 HD21 ASN 9 2HD2 ASN 9 -4.037 1.980 -10.358
78 HD22 ASN 9 1HD2 ASN 9 -4.674 2.842 -11.714
79 H GLY 10 H GLY 10 0.147 0.062 -10.608
80 HA2 GLY 10 1HA GLY 10 1.980 1.560 -11.075
81 HA3 GLY 10 2HA GLY 10 0.881 2.529 -12.045
82 H SER 11 H SER 11 -0.689 1.547 -9.275
83 HA SER 11 HA SER 11 -0.050 4.096 -7.939
84 HB2 SER 11 1HB SER 11 -2.446 3.539 -8.930
85 HB3 SER 11 2HB SER 11 -2.620 2.670 -7.405
86 HG SER 11 HG SER 11 -3.306 4.736 -7.037
87 H ILE 12 H ILE 12 -0.509 4.054 -5.543
88 HA ILE 12 HA ILE 12 0.378 1.481 -4.411
89 HB ILE 12 HB ILE 12 0.942 4.225 -3.285
90 HG12 ILE 12 1HG1 ILE 12 3.367 3.350 -3.971
91 HG13 ILE 12 2HG1 ILE 12 2.437 2.490 -5.194
92 HG21 ILE 12 1HG2 ILE 12 2.513 3.029 -1.832
93 HG22 ILE 12 2HG2 ILE 12 0.856 2.472 -1.603
94 HG23 ILE 12 3HG2 ILE 12 1.992 1.499 -2.538
95 HD11 ILE 12 3HD1 ILE 12 2.108 4.337 -6.388
96 HD12 ILE 12 1HD1 ILE 12 1.704 5.296 -4.963
97 HD13 ILE 12 2HD1 ILE 12 3.393 5.041 -5.406
98 H SER 13 H SER 13 -0.546 0.770 -2.499
99 HA SER 13 HA SER 13 -3.074 2.089 -1.793
100 HB2 SER 13 1HB SER 13 -3.213 -0.265 -2.561
101 HB3 SER 13 2HB SER 13 -2.180 -0.746 -1.214
102 HG SER 13 HG SER 13 -3.996 -0.917 -0.173
103 H ASP 14 H ASP 14 -3.441 2.859 0.206
104 HA ASP 14 HA ASP 14 -1.276 2.556 2.179
105 HB2 ASP 14 1HB ASP 14 -3.263 4.782 1.721
106 HB3 ASP 14 2HB ASP 14 -2.274 4.671 3.175
107 H TYR 15 H TYR 15 -2.044 0.637 3.098
108 HA TYR 15 HA TYR 15 -4.312 1.023 4.905
109 HB2 TYR 15 1HB TYR 15 -4.091 -1.059 2.777
110 HB3 TYR 15 2HB TYR 15 -4.835 -1.505 4.308
111 HD1 TYR 15 HD2 TYR 15 -5.095 0.777 1.413
112 HD2 TYR 15 HD1 TYR 15 -7.033 -0.800 4.856
113 HE1 TYR 15 HE2 TYR 15 -7.221 1.761 0.660
114 HE2 TYR 15 HE1 TYR 15 -9.164 0.179 4.113
115 HH TYR 15 HH TYR 15 -9.553 1.555 0.962
116 H CYS 16 H CYS 16 -3.829 0.405 6.904
117 HA CYS 16 HA CYS 16 -1.565 -1.445 7.281
118 HB2 CYS 16 1HB CYS 16 -1.484 1.081 8.060
119 HB3 CYS 16 2HB CYS 16 -2.399 0.458 9.429
120 H GLU 17 H GLU 17 -1.783 -3.136 8.683
121 HA GLU 17 HA GLU 17 -4.442 -3.985 9.296
122 HB2 GLU 17 1HB GLU 17 -3.436 -5.998 10.122
123 HB3 GLU 17 2HB GLU 17 -2.576 -5.525 8.664
124 HG2 GLU 17 1HG GLU 17 -0.880 -4.428 10.199
125 HG3 GLU 17 2HG GLU 17 -1.668 -5.300 11.512
126 H TYR 18 H TYR 18 -5.327 -4.415 11.359
127 HA TYR 18 HA TYR 18 -4.820 -2.389 13.283
128 HB2 TYR 18 1HB TYR 18 -6.595 -3.390 14.562
129 HB3 TYR 18 2HB TYR 18 -7.053 -3.439 12.864
130 HD1 TYR 18 HD1 TYR 18 -7.067 -5.571 11.642
131 HD2 TYR 18 HD2 TYR 18 -6.191 -5.410 15.802
132 HE1 TYR 18 HE1 TYR 18 -7.448 -7.995 11.810
133 HE2 TYR 18 HE2 TYR 18 -6.567 -7.835 15.981
134 HH TYR 18 HH TYR 18 -6.996 -9.840 13.177
Start of MODEL 14
1 H1 ASP 1 H ASP 1 4.117 4.747 12.716
2 HA ASP 1 HA ASP 1 5.441 4.411 10.231
3 HB2 ASP 1 1HB ASP 1 5.501 2.632 12.679
4 HB3 ASP 1 2HB ASP 1 6.657 2.597 11.349
5 H CYS 2 H CYS 2 4.341 3.609 8.544
6 HA CYS 2 HA CYS 2 3.081 0.975 8.881
7 HB2 CYS 2 1HB CYS 2 1.384 2.847 8.747
8 HB3 CYS 2 2HB CYS 2 1.953 3.144 7.107
9 H LYS 3 H LYS 3 3.311 -0.445 7.175
10 HA LYS 3 HA LYS 3 5.516 0.085 5.405
11 HB2 LYS 3 1HB LYS 3 4.794 -2.153 6.587
12 HB3 LYS 3 2HB LYS 3 3.784 -2.342 5.160
13 HG2 LYS 3 1HG LYS 3 5.641 -3.429 4.443
14 HG3 LYS 3 2HG LYS 3 6.058 -1.793 3.924
15 HD2 LYS 3 1HD LYS 3 7.985 -2.570 5.005
16 HD3 LYS 3 2HD LYS 3 7.189 -1.556 6.209
17 HE2 LYS 3 1HE LYS 3 6.448 -3.397 7.440
18 HE3 LYS 3 2HE LYS 3 6.685 -4.509 6.093
19 HZ1 LYS 3 3HZ LYS 3 8.579 -5.013 7.132
20 HZ2 LYS 3 1HZ LYS 3 8.559 -3.617 8.090
21 HZ3 LYS 3 2HZ LYS 3 9.171 -3.554 6.514
22 H ARG 4 H ARG 4 5.472 0.088 3.140
23 HA ARG 4 HA ARG 4 2.847 0.765 1.993
24 HB2 ARG 4 1HB ARG 4 4.275 1.883 0.190
25 HB3 ARG 4 2HB ARG 4 4.229 2.655 1.768
26 HG2 ARG 4 1HG ARG 4 6.406 0.711 1.241
27 HG3 ARG 4 2HG ARG 4 6.486 2.287 0.453
28 HD2 ARG 4 1HD ARG 4 5.867 2.206 3.358
29 HD3 ARG 4 2HD ARG 4 7.522 1.860 2.855
30 HE ARG 4 HE ARG 4 6.634 4.206 1.584
31 HH11 ARG 4 1HH1 ARG 4 7.539 3.024 4.731
32 HH12 ARG 4 2HH1 ARG 4 8.080 4.568 5.299
33 HH21 ARG 4 1HH2 ARG 4 7.343 6.245 2.320
34 HH22 ARG 4 2HH2 ARG 4 7.968 6.400 3.927
35 H LYS 5 H LYS 5 2.099 -0.301 0.233
36 HA LYS 5 HA LYS 5 3.846 -2.353 -0.957
37 HB2 LYS 5 1HB LYS 5 1.894 -3.071 0.663
38 HB3 LYS 5 2HB LYS 5 0.895 -2.793 -0.758
39 HG2 LYS 5 1HG LYS 5 3.324 -4.522 -0.947
40 HG3 LYS 5 2HG LYS 5 1.817 -5.163 -0.285
41 HD2 LYS 5 1HD LYS 5 0.769 -4.140 -2.447
42 HD3 LYS 5 2HD LYS 5 2.425 -4.208 -3.052
43 HE2 LYS 5 1HE LYS 5 1.352 -6.226 -3.712
44 HE3 LYS 5 2HE LYS 5 2.462 -6.630 -2.403
45 HZ1 LYS 5 3HZ LYS 5 -0.289 -7.099 -2.538
46 HZ2 LYS 5 1HZ LYS 5 -0.028 -5.985 -1.292
47 HZ3 LYS 5 2HZ LYS 5 0.774 -7.474 -1.275
48 H VAL 6 H VAL 6 3.913 -2.419 -3.127
49 HA VAL 6 HA VAL 6 2.384 -0.419 -4.590
50 HB VAL 6 HB VAL 6 4.515 -2.270 -5.660
51 HG11 VAL 6 1HG1 VAL 6 3.491 0.367 -6.705
52 HG12 VAL 6 2HG1 VAL 6 4.697 -0.674 -7.465
53 HG13 VAL 6 3HG1 VAL 6 3.023 -1.215 -7.325
54 HG21 VAL 6 3HG2 VAL 6 5.695 -1.102 -4.050
55 HG22 VAL 6 1HG2 VAL 6 5.895 -0.074 -5.469
56 HG23 VAL 6 2HG2 VAL 6 4.711 0.349 -4.231
57 H TYR 7 H TYR 7 0.744 -0.844 -5.938
58 HA TYR 7 HA TYR 7 -0.092 -3.636 -6.221
59 HB2 TYR 7 1HB TYR 7 -1.496 -1.007 -6.291
60 HB3 TYR 7 2HB TYR 7 -2.183 -2.334 -7.220
61 HD1 TYR 7 HD2 TYR 7 -1.908 -4.667 -5.640
62 HD2 TYR 7 HD1 TYR 7 -2.655 -0.689 -4.327
63 HE1 TYR 7 HE2 TYR 7 -2.971 -5.545 -3.603
64 HE2 TYR 7 HE1 TYR 7 -3.719 -1.557 -2.287
65 HH TYR 7 HH TYR 7 -3.592 -4.923 -1.436
66 HA PRO 8 HA PRO 8 0.781 -3.928 -10.509
67 HB2 PRO 8 1HB PRO 8 -1.376 -5.279 -11.455
68 HB3 PRO 8 2HB PRO 8 -0.130 -6.036 -10.455
69 HG2 PRO 8 1HG PRO 8 -2.823 -4.994 -9.662
70 HG3 PRO 8 2HG PRO 8 -2.015 -6.495 -9.173
71 HD2 PRO 8 1HD PRO 8 -2.080 -4.294 -7.597
72 HD3 PRO 8 2HD PRO 8 -0.715 -5.429 -7.597
73 H ASN 9 H ASN 9 -2.176 -2.404 -9.511
74 HA ASN 9 HA ASN 9 -3.057 -1.521 -12.057
75 HB2 ASN 9 1HB ASN 9 -3.649 -0.713 -9.227
76 HB3 ASN 9 2HB ASN 9 -4.259 0.256 -10.566
77 HD21 ASN 9 2HD2 ASN 9 -5.820 -1.159 -8.667
78 HD22 ASN 9 1HD2 ASN 9 -6.727 -2.354 -9.523
79 H GLY 10 H GLY 10 -0.536 -0.500 -9.976
80 HA2 GLY 10 1HA GLY 10 1.177 0.945 -10.866
81 HA3 GLY 10 2HA GLY 10 -0.076 1.825 -11.728
82 H SER 11 H SER 11 -1.165 1.102 -8.665
83 HA SER 11 HA SER 11 -0.356 3.762 -7.687
84 HB2 SER 11 1HB SER 11 -2.816 3.386 -8.203
85 HB3 SER 11 2HB SER 11 -2.838 2.254 -6.852
86 HG SER 11 HG SER 11 -2.208 5.019 -6.762
87 H ILE 12 H ILE 12 -0.444 3.930 -5.242
88 HA ILE 12 HA ILE 12 0.845 1.546 -4.096
89 HB ILE 12 HB ILE 12 1.030 4.372 -3.057
90 HG12 ILE 12 1HG1 ILE 12 1.974 4.202 -5.338
91 HG13 ILE 12 2HG1 ILE 12 3.215 4.505 -4.126
92 HG21 ILE 12 1HG2 ILE 12 1.487 2.641 -1.410
93 HG22 ILE 12 2HG2 ILE 12 2.663 1.902 -2.495
94 HG23 ILE 12 3HG2 ILE 12 2.964 3.507 -1.829
95 HD11 ILE 12 3HD1 ILE 12 3.949 2.877 -5.773
96 HD12 ILE 12 1HD1 ILE 12 3.839 2.154 -4.168
97 HD13 ILE 12 2HD1 ILE 12 2.583 1.839 -5.367
98 H SER 13 H SER 13 0.253 0.791 -2.067
99 HA SER 13 HA SER 13 -2.478 1.077 -1.378
100 HB2 SER 13 1HB SER 13 -0.210 -0.166 0.197
101 HB3 SER 13 2HB SER 13 -1.926 -0.369 0.548
102 HG SER 13 HG SER 13 -1.912 -1.917 -0.855
103 H ASP 14 H ASP 14 -3.421 2.629 -0.249
104 HA ASP 14 HA ASP 14 -1.789 4.469 1.315
105 HB2 ASP 14 1HB ASP 14 -3.328 5.546 -0.157
106 HB3 ASP 14 2HB ASP 14 -4.664 4.542 0.400
107 H TYR 15 H TYR 15 -4.508 2.248 1.735
108 HA TYR 15 HA TYR 15 -4.885 2.817 4.499
109 HB2 TYR 15 1HB TYR 15 -5.823 0.640 2.654
110 HB3 TYR 15 2HB TYR 15 -6.112 0.527 4.387
111 HD1 TYR 15 HD1 TYR 15 -7.458 2.331 5.514
112 HD2 TYR 15 HD2 TYR 15 -7.161 2.020 1.282
113 HE1 TYR 15 HE1 TYR 15 -9.457 3.744 5.277
114 HE2 TYR 15 HE2 TYR 15 -9.158 3.434 1.032
115 HH TYR 15 HH TYR 15 -11.333 3.935 3.154
116 H CYS 16 H CYS 16 -4.668 1.084 6.192
117 HA CYS 16 HA CYS 16 -2.172 -0.436 5.818
118 HB2 CYS 16 1HB CYS 16 -3.072 1.156 8.223
119 HB3 CYS 16 2HB CYS 16 -1.753 -0.008 8.273
120 H GLU 17 H GLU 17 -2.191 -2.522 6.433
121 HA GLU 17 HA GLU 17 -4.715 -3.588 7.454
122 HB2 GLU 17 1HB GLU 17 -3.547 -4.501 5.372
123 HB3 GLU 17 2HB GLU 17 -2.359 -5.187 6.470
124 HG2 GLU 17 1HG GLU 17 -3.973 -6.588 7.487
125 HG3 GLU 17 2HG GLU 17 -5.301 -5.750 6.685
126 H TYR 18 H TYR 18 -4.902 -4.709 9.342
127 HA TYR 18 HA TYR 18 -3.065 -4.155 11.411
128 HB2 TYR 18 1HB TYR 18 -5.206 -6.288 11.424
129 HB3 TYR 18 2HB TYR 18 -4.490 -5.491 12.821
130 HD1 TYR 18 HD1 TYR 18 -5.002 -3.094 13.266
131 HD2 TYR 18 HD2 TYR 18 -7.010 -5.296 10.230
132 HE1 TYR 18 HE1 TYR 18 -6.775 -1.388 13.209
133 HE2 TYR 18 HE2 TYR 18 -8.786 -3.597 10.164
134 HH TYR 18 HH TYR 18 -9.228 -1.306 12.533
Start of MODEL 15
1 H1 ASP 1 H ASP 1 3.235 -0.010 12.300
2 HA ASP 1 HA ASP 1 3.833 2.345 10.819
3 HB2 ASP 1 1HB ASP 1 5.705 2.413 12.434
4 HB3 ASP 1 2HB ASP 1 6.197 0.805 11.913
5 H CYS 2 H CYS 2 3.648 1.826 8.744
6 HA CYS 2 HA CYS 2 4.647 -0.715 7.752
7 HB2 CYS 2 1HB CYS 2 2.398 -1.331 8.418
8 HB3 CYS 2 2HB CYS 2 1.728 0.056 7.566
9 H LYS 3 H LYS 3 5.384 -0.561 5.711
10 HA LYS 3 HA LYS 3 5.492 2.008 4.471
11 HB2 LYS 3 1HB LYS 3 6.303 -0.668 3.324
12 HB3 LYS 3 2HB LYS 3 6.809 0.913 2.748
13 HG2 LYS 3 1HG LYS 3 8.140 1.296 4.653
14 HG3 LYS 3 2HG LYS 3 7.409 -0.053 5.526
15 HD2 LYS 3 1HD LYS 3 9.559 -0.770 4.803
16 HD3 LYS 3 2HD LYS 3 8.372 -1.577 3.775
17 HE2 LYS 3 1HE LYS 3 10.266 -0.730 2.475
18 HE3 LYS 3 2HE LYS 3 8.758 0.061 2.017
19 HZ1 LYS 3 3HZ LYS 3 10.795 1.519 2.332
20 HZ2 LYS 3 1HZ LYS 3 10.599 1.262 3.993
21 HZ3 LYS 3 2HZ LYS 3 9.373 2.014 3.103
22 H ARG 4 H ARG 4 4.551 2.711 2.566
23 HA ARG 4 HA ARG 4 1.925 1.937 2.049
24 HB2 ARG 4 1HB ARG 4 3.794 3.330 0.124
25 HB3 ARG 4 2HB ARG 4 2.035 3.373 0.099
26 HG2 ARG 4 1HG ARG 4 2.078 4.504 2.303
27 HG3 ARG 4 2HG ARG 4 3.840 4.553 2.198
28 HD2 ARG 4 1HD ARG 4 3.558 5.778 0.014
29 HD3 ARG 4 2HD ARG 4 1.842 5.905 0.395
30 HE ARG 4 HE ARG 4 3.460 6.873 2.525
31 HH11 ARG 4 1HH1 ARG 4 2.200 7.700 -0.613
32 HH12 ARG 4 2HH1 ARG 4 2.243 9.408 -0.324
33 HH21 ARG 4 1HH2 ARG 4 3.521 9.119 2.917
34 HH22 ARG 4 2HH2 ARG 4 2.995 10.214 1.683
35 H LYS 5 H LYS 5 1.205 0.104 1.212
36 HA LYS 5 HA LYS 5 2.840 -1.736 -0.190
37 HB2 LYS 5 1HB LYS 5 0.667 -2.127 1.192
38 HB3 LYS 5 2HB LYS 5 -0.158 -1.784 -0.323
39 HG2 LYS 5 1HG LYS 5 0.660 -3.684 -1.353
40 HG3 LYS 5 2HG LYS 5 2.013 -3.834 -0.230
41 HD2 LYS 5 1HD LYS 5 -0.800 -4.092 0.759
42 HD3 LYS 5 2HD LYS 5 -0.009 -5.458 -0.031
43 HE2 LYS 5 1HE LYS 5 1.271 -3.974 2.246
44 HE3 LYS 5 2HE LYS 5 0.151 -5.309 2.516
45 HZ1 LYS 5 3HZ LYS 5 2.093 -6.048 0.602
46 HZ2 LYS 5 1HZ LYS 5 1.762 -6.749 2.106
47 HZ3 LYS 5 2HZ LYS 5 2.863 -5.470 1.993
48 H VAL 6 H VAL 6 3.203 -2.029 -2.309
49 HA VAL 6 HA VAL 6 1.940 -0.139 -4.167
50 HB VAL 6 HB VAL 6 4.393 -0.095 -4.094
51 HG11 VAL 6 1HG1 VAL 6 5.704 -1.910 -4.175
52 HG12 VAL 6 2HG1 VAL 6 4.233 -2.806 -3.787
53 HG13 VAL 6 3HG1 VAL 6 4.758 -2.654 -5.465
54 HG21 VAL 6 3HG2 VAL 6 3.156 -1.129 -6.639
55 HG22 VAL 6 1HG2 VAL 6 3.397 0.551 -6.158
56 HG23 VAL 6 2HG2 VAL 6 4.787 -0.463 -6.546
57 H TYR 7 H TYR 7 0.624 -0.806 -5.748
58 HA TYR 7 HA TYR 7 0.118 -3.680 -5.980
59 HB2 TYR 7 1HB TYR 7 -1.488 -1.220 -6.487
60 HB3 TYR 7 2HB TYR 7 -1.861 -2.658 -7.430
61 HD1 TYR 7 HD2 TYR 7 -1.669 -4.866 -5.668
62 HD2 TYR 7 HD1 TYR 7 -3.019 -0.926 -4.793
63 HE1 TYR 7 HE2 TYR 7 -3.008 -5.746 -3.802
64 HE2 TYR 7 HE1 TYR 7 -4.360 -1.795 -2.924
65 HH TYR 7 HH TYR 7 -4.030 -4.204 -1.383
66 HA PRO 8 HA PRO 8 1.801 -4.097 -10.010
67 HB2 PRO 8 1HB PRO 8 -0.003 -5.713 -11.234
68 HB3 PRO 8 2HB PRO 8 1.098 -6.284 -9.975
69 HG2 PRO 8 1HG PRO 8 -1.781 -5.491 -9.758
70 HG3 PRO 8 2HG PRO 8 -0.942 -6.872 -9.027
71 HD2 PRO 8 1HD PRO 8 -1.506 -4.613 -7.645
72 HD3 PRO 8 2HD PRO 8 -0.065 -5.597 -7.320
73 H ASN 9 H ASN 9 -1.406 -2.827 -9.664
74 HA ASN 9 HA ASN 9 -1.885 -2.179 -12.383
75 HB2 ASN 9 1HB ASN 9 -3.709 -2.297 -10.764
76 HB3 ASN 9 2HB ASN 9 -3.017 -0.956 -9.857
77 HD21 ASN 9 2HD2 ASN 9 -4.937 0.215 -10.109
78 HD22 ASN 9 1HD2 ASN 9 -5.339 0.980 -11.605
79 H GLY 10 H GLY 10 0.112 -0.798 -9.967
80 HA2 GLY 10 1HA GLY 10 1.823 0.763 -10.640
81 HA3 GLY 10 2HA GLY 10 0.675 1.463 -11.771
82 H SER 11 H SER 11 -0.887 0.801 -8.905
83 HA SER 11 HA SER 11 -0.508 3.575 -7.987
84 HB2 SER 11 1HB SER 11 -2.782 2.992 -8.907
85 HB3 SER 11 2HB SER 11 -2.965 1.864 -7.564
86 HG SER 11 HG SER 11 -3.833 4.074 -7.286
87 H ILE 12 H ILE 12 -1.041 3.873 -5.622
88 HA ILE 12 HA ILE 12 0.123 1.644 -4.088
89 HB ILE 12 HB ILE 12 0.711 3.430 -2.397
90 HG12 ILE 12 1HG1 ILE 12 0.076 5.248 -4.733
91 HG13 ILE 12 2HG1 ILE 12 -0.833 5.160 -3.228
92 HG21 ILE 12 1HG2 ILE 12 2.160 2.405 -4.344
93 HG22 ILE 12 2HG2 ILE 12 2.121 4.065 -4.938
94 HG23 ILE 12 3HG2 ILE 12 2.776 3.716 -3.339
95 HD11 ILE 12 3HD1 ILE 12 0.507 7.036 -2.976
96 HD12 ILE 12 1HD1 ILE 12 1.373 5.782 -2.090
97 HD13 ILE 12 2HD1 ILE 12 1.909 6.252 -3.704
98 H SER 13 H SER 13 -0.688 1.225 -1.978
99 HA SER 13 HA SER 13 -3.522 1.390 -1.798
100 HB2 SER 13 1HB SER 13 -2.175 -0.507 -0.897
101 HB3 SER 13 2HB SER 13 -1.556 0.571 0.355
102 HG SER 13 HG SER 13 -3.316 -0.568 1.160
103 H ASP 14 H ASP 14 -4.688 2.247 0.097
104 HA ASP 14 HA ASP 14 -3.895 4.977 0.588
105 HB2 ASP 14 1HB ASP 14 -6.283 4.119 0.152
106 HB3 ASP 14 2HB ASP 14 -6.262 3.591 1.833
107 H TYR 15 H TYR 15 -4.639 2.162 2.644
108 HA TYR 15 HA TYR 15 -2.755 3.217 4.631
109 HB2 TYR 15 1HB TYR 15 -4.268 2.742 6.455
110 HB3 TYR 15 2HB TYR 15 -5.077 3.809 5.312
111 HD1 TYR 15 HD2 TYR 15 -4.978 0.423 6.714
112 HD2 TYR 15 HD1 TYR 15 -6.968 3.036 4.009
113 HE1 TYR 15 HE2 TYR 15 -6.854 -1.161 6.572
114 HE2 TYR 15 HE1 TYR 15 -8.849 1.460 3.861
115 HH TYR 15 HH TYR 15 -9.048 -1.208 4.244
116 H CYS 16 H CYS 16 -2.446 1.458 6.417
117 HA CYS 16 HA CYS 16 -2.236 -1.166 5.091
118 HB2 CYS 16 1HB CYS 16 -0.054 0.094 5.402
119 HB3 CYS 16 2HB CYS 16 -0.287 -0.099 7.136
120 H GLU 17 H GLU 17 -3.222 -2.786 6.099
121 HA GLU 17 HA GLU 17 -4.638 -2.389 8.523
122 HB2 GLU 17 1HB GLU 17 -5.209 -4.775 8.342
123 HB3 GLU 17 2HB GLU 17 -5.452 -3.927 6.821
124 HG2 GLU 17 1HG GLU 17 -4.436 -5.861 6.124
125 HG3 GLU 17 2HG GLU 17 -3.060 -4.767 6.268
126 H TYR 18 H TYR 18 -4.286 -3.211 10.574
127 HA TYR 18 HA TYR 18 -1.491 -3.812 11.179
128 HB2 TYR 18 1HB TYR 18 -2.926 -2.016 12.380
129 HB3 TYR 18 2HB TYR 18 -3.640 -3.378 13.235
130 HD1 TYR 18 HD2 TYR 18 -0.312 -1.899 12.421
131 HD2 TYR 18 HD1 TYR 18 -2.648 -4.128 15.192
132 HE1 TYR 18 HE2 TYR 18 1.563 -1.874 14.012
133 HE2 TYR 18 HE1 TYR 18 -0.780 -4.107 16.792
134 HH TYR 18 HH TYR 18 1.747 -3.875 16.668
Start of MODEL 16
1 H1 ASP 1 H ASP 1 5.343 5.128 8.848
2 HA ASP 1 HA ASP 1 5.154 3.718 11.388
3 HB2 ASP 1 1HB ASP 1 3.178 5.075 9.580
4 HB3 ASP 1 2HB ASP 1 2.622 3.957 10.822
5 H CYS 2 H CYS 2 3.771 3.282 8.125
6 HA CYS 2 HA CYS 2 4.043 0.376 8.499
7 HB2 CYS 2 1HB CYS 2 1.665 1.229 8.801
8 HB3 CYS 2 2HB CYS 2 1.699 1.654 7.092
9 H LYS 3 H LYS 3 4.323 -0.846 6.577
10 HA LYS 3 HA LYS 3 5.792 0.573 4.543
11 HB2 LYS 3 1HB LYS 3 6.154 -1.844 5.589
12 HB3 LYS 3 2HB LYS 3 5.109 -2.314 4.255
13 HG2 LYS 3 1HG LYS 3 7.406 -0.549 3.635
14 HG3 LYS 3 2HG LYS 3 7.746 -2.235 4.032
15 HD2 LYS 3 1HD LYS 3 6.712 -3.028 2.157
16 HD3 LYS 3 2HD LYS 3 5.572 -1.683 2.086
17 HE2 LYS 3 1HE LYS 3 7.495 -0.219 1.413
18 HE3 LYS 3 2HE LYS 3 8.475 -1.678 1.282
19 HZ1 LYS 3 3HZ LYS 3 5.938 -1.321 -0.203
20 HZ2 LYS 3 1HZ LYS 3 7.142 -2.480 -0.464
21 HZ3 LYS 3 2HZ LYS 3 7.437 -0.856 -0.835
22 H ARG 4 H ARG 4 4.752 1.594 2.965
23 HA ARG 4 HA ARG 4 2.112 1.299 2.220
24 HB2 ARG 4 1HB ARG 4 2.680 2.512 0.183
25 HB3 ARG 4 2HB ARG 4 3.516 3.207 1.566
26 HG2 ARG 4 1HG ARG 4 4.958 1.147 0.002
27 HG3 ARG 4 2HG ARG 4 4.727 2.730 -0.743
28 HD2 ARG 4 1HD ARG 4 5.593 3.632 1.537
29 HD3 ARG 4 2HD ARG 4 6.233 2.001 1.734
30 HE ARG 4 HE ARG 4 7.819 2.459 0.139
31 HH11 ARG 4 1HH1 ARG 4 5.370 4.933 0.091
32 HH12 ARG 4 2HH1 ARG 4 6.253 5.969 -0.982
33 HH21 ARG 4 1HH2 ARG 4 8.991 3.813 -1.274
34 HH22 ARG 4 2HH2 ARG 4 8.312 5.330 -1.758
35 H LYS 5 H LYS 5 1.041 0.237 0.542
36 HA LYS 5 HA LYS 5 2.415 -2.175 -0.425
37 HB2 LYS 5 1HB LYS 5 0.448 -2.660 0.897
38 HB3 LYS 5 2HB LYS 5 -0.525 -1.567 -0.079
39 HG2 LYS 5 1HG LYS 5 -0.289 -3.019 -2.000
40 HG3 LYS 5 2HG LYS 5 0.774 -4.092 -1.085
41 HD2 LYS 5 1HD LYS 5 -1.936 -3.486 -0.002
42 HD3 LYS 5 2HD LYS 5 -1.792 -4.619 -1.348
43 HE2 LYS 5 1HE LYS 5 -0.575 -6.144 -0.102
44 HE3 LYS 5 2HE LYS 5 -0.042 -4.926 1.056
45 HZ1 LYS 5 3HZ LYS 5 -1.786 -5.338 2.342
46 HZ2 LYS 5 1HZ LYS 5 -2.125 -6.680 1.369
47 HZ3 LYS 5 2HZ LYS 5 -2.876 -5.198 1.055
48 H VAL 6 H VAL 6 3.116 -2.082 -2.447
49 HA VAL 6 HA VAL 6 1.935 -0.207 -4.330
50 HB VAL 6 HB VAL 6 4.369 -0.341 -4.222
51 HG11 VAL 6 1HG1 VAL 6 4.733 -2.867 -5.565
52 HG12 VAL 6 2HG1 VAL 6 5.492 -2.256 -4.093
53 HG13 VAL 6 3HG1 VAL 6 3.939 -3.086 -4.006
54 HG21 VAL 6 3HG2 VAL 6 4.679 -0.081 -6.460
55 HG22 VAL 6 1HG2 VAL 6 3.819 -1.568 -6.862
56 HG23 VAL 6 2HG2 VAL 6 2.916 -0.113 -6.444
57 H TYR 7 H TYR 7 0.576 -0.735 -5.921
58 HA TYR 7 HA TYR 7 -0.107 -3.565 -6.261
59 HB2 TYR 7 1HB TYR 7 -1.573 -0.996 -6.647
60 HB3 TYR 7 2HB TYR 7 -2.034 -2.368 -7.650
61 HD1 TYR 7 HD2 TYR 7 -1.959 -4.658 -5.988
62 HD2 TYR 7 HD1 TYR 7 -3.075 -0.692 -4.930
63 HE1 TYR 7 HE2 TYR 7 -3.336 -5.543 -4.153
64 HE2 TYR 7 HE1 TYR 7 -4.455 -1.564 -3.090
65 HH TYR 7 HH TYR 7 -4.385 -4.932 -2.178
66 HA PRO 8 HA PRO 8 1.530 -3.896 -10.317
67 HB2 PRO 8 1HB PRO 8 -0.370 -5.351 -11.599
68 HB3 PRO 8 2HB PRO 8 0.703 -6.038 -10.374
69 HG2 PRO 8 1HG PRO 8 -2.125 -5.095 -10.101
70 HG3 PRO 8 2HG PRO 8 -1.363 -6.553 -9.438
71 HD2 PRO 8 1HD PRO 8 -1.790 -4.329 -7.953
72 HD3 PRO 8 2HD PRO 8 -0.406 -5.406 -7.682
73 H ASN 9 H ASN 9 -1.592 -2.454 -9.886
74 HA ASN 9 HA ASN 9 -2.059 -1.666 -12.569
75 HB2 ASN 9 1HB ASN 9 -3.664 -1.721 -10.491
76 HB3 ASN 9 2HB ASN 9 -3.088 -0.074 -10.251
77 HD21 ASN 9 2HD2 ASN 9 -5.730 -1.206 -11.027
78 HD22 ASN 9 1HD2 ASN 9 -6.162 -0.371 -12.476
79 H GLY 10 H GLY 10 0.051 -0.512 -10.132
80 HA2 GLY 10 1HA GLY 10 1.849 0.963 -10.767
81 HA3 GLY 10 2HA GLY 10 0.735 1.779 -11.853
82 H SER 11 H SER 11 -0.831 1.103 -8.992
83 HA SER 11 HA SER 11 -0.261 3.807 -7.970
84 HB2 SER 11 1HB SER 11 -2.551 3.568 -8.837
85 HB3 SER 11 2HB SER 11 -2.825 2.211 -7.745
86 HG SER 11 HG SER 11 -3.014 4.852 -7.253
87 H ILE 12 H ILE 12 -0.729 4.047 -5.591
88 HA ILE 12 HA ILE 12 0.171 1.639 -4.146
89 HB ILE 12 HB ILE 12 0.752 4.505 -3.393
90 HG12 ILE 12 1HG1 ILE 12 3.171 3.527 -3.938
91 HG13 ILE 12 2HG1 ILE 12 2.241 2.507 -5.030
92 HG21 ILE 12 1HG2 ILE 12 2.544 2.771 -2.150
93 HG22 ILE 12 2HG2 ILE 12 1.208 3.641 -1.398
94 HG23 ILE 12 3HG2 ILE 12 0.967 1.998 -1.989
95 HD11 ILE 12 3HD1 ILE 12 3.098 5.193 -5.380
96 HD12 ILE 12 1HD1 ILE 12 2.245 4.143 -6.512
97 HD13 ILE 12 2HD1 ILE 12 1.334 5.152 -5.388
98 H SER 13 H SER 13 -0.891 1.052 -2.319
99 HA SER 13 HA SER 13 -3.383 2.467 -1.751
100 HB2 SER 13 1HB SER 13 -3.290 -0.045 -2.154
101 HB3 SER 13 2HB SER 13 -2.491 -0.174 -0.587
102 HG SER 13 HG SER 13 -5.096 0.787 -1.145
103 H ASP 14 H ASP 14 -3.678 3.676 0.004
104 HA ASP 14 HA ASP 14 -1.521 3.834 1.964
105 HB2 ASP 14 1HB ASP 14 -3.903 5.601 1.397
106 HB3 ASP 14 2HB ASP 14 -2.820 5.857 2.762
107 H TYR 15 H TYR 15 -2.487 1.536 2.500
108 HA TYR 15 HA TYR 15 -4.187 1.930 4.857
109 HB2 TYR 15 1HB TYR 15 -4.668 0.041 2.577
110 HB3 TYR 15 2HB TYR 15 -5.205 -0.384 4.198
111 HD1 TYR 15 HD1 TYR 15 -6.689 1.363 5.417
112 HD2 TYR 15 HD2 TYR 15 -6.034 1.337 1.212
113 HE1 TYR 15 HE1 TYR 15 -8.729 2.699 5.097
114 HE2 TYR 15 HE2 TYR 15 -8.073 2.673 0.881
115 HH TYR 15 HH TYR 15 -10.126 3.603 3.624
116 H CYS 16 H CYS 16 -3.926 0.347 6.502
117 HA CYS 16 HA CYS 16 -1.627 -1.451 6.188
118 HB2 CYS 16 1HB CYS 16 -0.973 0.711 7.330
119 HB3 CYS 16 2HB CYS 16 -2.050 0.252 8.645
120 H GLU 17 H GLU 17 -1.981 -3.440 6.949
121 HA GLU 17 HA GLU 17 -4.510 -4.240 7.870
122 HB2 GLU 17 1HB GLU 17 -2.695 -5.646 6.728
123 HB3 GLU 17 2HB GLU 17 -1.979 -5.806 8.326
124 HG2 GLU 17 1HG GLU 17 -4.852 -6.492 7.937
125 HG3 GLU 17 2HG GLU 17 -3.607 -7.623 7.411
126 H TYR 18 H TYR 18 -5.352 -4.585 9.860
127 HA TYR 18 HA TYR 18 -3.691 -3.773 12.152
128 HB2 TYR 18 1HB TYR 18 -5.717 -3.060 13.255
129 HB3 TYR 18 2HB TYR 18 -5.667 -2.334 11.652
130 HD1 TYR 18 HD1 TYR 18 -7.095 -3.308 9.829
131 HD2 TYR 18 HD2 TYR 18 -7.498 -4.477 13.900
132 HE1 TYR 18 HE1 TYR 18 -9.325 -4.224 9.338
133 HE2 TYR 18 HE2 TYR 18 -9.729 -5.397 13.421
134 HH TYR 18 HH TYR 18 -11.352 -4.821 10.437
Start of MODEL 17
1 H1 ASP 1 H ASP 1 2.801 3.309 12.647
2 HA ASP 1 HA ASP 1 3.950 4.187 10.116
3 HB2 ASP 1 1HB ASP 1 4.814 2.134 12.155
4 HB3 ASP 1 2HB ASP 1 5.644 2.372 10.620
5 H CYS 2 H CYS 2 3.321 3.352 8.250
6 HA CYS 2 HA CYS 2 2.230 0.614 8.227
7 HB2 CYS 2 1HB CYS 2 1.270 3.092 6.821
8 HB3 CYS 2 2HB CYS 2 0.905 1.494 6.180
9 H LYS 3 H LYS 3 2.779 -0.708 6.507
10 HA LYS 3 HA LYS 3 5.252 -0.033 5.185
11 HB2 LYS 3 1HB LYS 3 3.569 -2.484 5.454
12 HB3 LYS 3 2HB LYS 3 4.719 -2.401 4.126
13 HG2 LYS 3 1HG LYS 3 5.918 -3.460 5.794
14 HG3 LYS 3 2HG LYS 3 6.437 -1.779 5.943
15 HD2 LYS 3 1HD LYS 3 4.819 -1.454 7.761
16 HD3 LYS 3 2HD LYS 3 4.329 -3.144 7.618
17 HE2 LYS 3 1HE LYS 3 5.869 -2.970 9.438
18 HE3 LYS 3 2HE LYS 3 6.687 -3.792 8.109
19 HZ1 LYS 3 3HZ LYS 3 8.186 -2.171 7.950
20 HZ2 LYS 3 1HZ LYS 3 7.642 -1.647 9.464
21 HZ3 LYS 3 2HZ LYS 3 7.027 -0.943 8.054
22 H ARG 4 H ARG 4 5.466 0.776 3.205
23 HA ARG 4 HA ARG 4 3.096 1.167 1.572
24 HB2 ARG 4 1HB ARG 4 4.510 2.616 0.212
25 HB3 ARG 4 2HB ARG 4 4.654 3.035 1.913
26 HG2 ARG 4 1HG ARG 4 6.741 1.586 1.937
27 HG3 ARG 4 2HG ARG 4 6.634 1.602 0.175
28 HD2 ARG 4 1HD ARG 4 6.894 3.995 1.992
29 HD3 ARG 4 2HD ARG 4 8.137 3.342 0.926
30 HE ARG 4 HE ARG 4 5.887 3.968 -0.615
31 HH11 ARG 4 1HH1 ARG 4 8.354 5.562 1.254
32 HH12 ARG 4 2HH1 ARG 4 8.314 7.015 0.311
33 HH21 ARG 4 1HH2 ARG 4 5.825 5.875 -1.864
34 HH22 ARG 4 2HH2 ARG 4 6.874 7.192 -1.462
35 H LYS 5 H LYS 5 2.617 0.086 -0.241
36 HA LYS 5 HA LYS 5 4.680 -1.553 -1.522
37 HB2 LYS 5 1HB LYS 5 2.134 -2.511 -0.295
38 HB3 LYS 5 2HB LYS 5 2.684 -3.280 -1.778
39 HG2 LYS 5 1HG LYS 5 4.900 -3.641 -0.603
40 HG3 LYS 5 2HG LYS 5 4.071 -3.171 0.883
41 HD2 LYS 5 1HD LYS 5 2.363 -4.968 0.315
42 HD3 LYS 5 2HD LYS 5 3.514 -5.530 -0.900
43 HE2 LYS 5 1HE LYS 5 5.099 -6.126 0.708
44 HE3 LYS 5 2HE LYS 5 4.345 -5.132 1.953
45 HZ1 LYS 5 3HZ LYS 5 3.482 -7.756 0.917
46 HZ2 LYS 5 1HZ LYS 5 2.379 -6.726 1.682
47 HZ3 LYS 5 2HZ LYS 5 3.740 -7.280 2.520
48 H VAL 6 H VAL 6 4.548 -1.629 -3.706
49 HA VAL 6 HA VAL 6 2.481 0.017 -4.953
50 HB VAL 6 HB VAL 6 4.777 0.540 -5.555
51 HG11 VAL 6 1HG1 VAL 6 5.146 -2.223 -5.480
52 HG12 VAL 6 2HG1 VAL 6 5.374 -1.772 -7.171
53 HG13 VAL 6 3HG1 VAL 6 6.340 -1.000 -5.913
54 HG21 VAL 6 3HG2 VAL 6 4.413 0.825 -7.808
55 HG22 VAL 6 1HG2 VAL 6 3.715 -0.782 -8.008
56 HG23 VAL 6 2HG2 VAL 6 2.775 0.500 -7.244
57 H TYR 7 H TYR 7 0.898 -0.773 -6.197
58 HA TYR 7 HA TYR 7 0.818 -3.672 -6.622
59 HB2 TYR 7 1HB TYR 7 -1.240 -1.542 -6.323
60 HB3 TYR 7 2HB TYR 7 -1.642 -2.922 -7.339
61 HD1 TYR 7 HD1 TYR 7 -0.164 -2.220 -3.976
62 HD2 TYR 7 HD2 TYR 7 -2.672 -4.721 -6.332
63 HE1 TYR 7 HE1 TYR 7 -0.742 -3.519 -1.969
64 HE2 TYR 7 HE2 TYR 7 -3.259 -6.028 -4.331
65 HH TYR 7 HH TYR 7 -1.682 -5.461 -1.241
66 HA PRO 8 HA PRO 8 1.284 -3.459 -10.978
67 HB2 PRO 8 1HB PRO 8 -0.512 -5.298 -11.851
68 HB3 PRO 8 2HB PRO 8 0.988 -5.736 -11.027
69 HG2 PRO 8 1HG PRO 8 -1.787 -5.532 -9.925
70 HG3 PRO 8 2HG PRO 8 -0.557 -6.776 -9.635
71 HD2 PRO 8 1HD PRO 8 -1.051 -4.774 -7.877
72 HD3 PRO 8 2HD PRO 8 0.564 -5.484 -8.089
73 H ASN 9 H ASN 9 -1.827 -2.833 -9.592
74 HA ASN 9 HA ASN 9 -3.199 -2.107 -11.967
75 HB2 ASN 9 1HB ASN 9 -4.407 -2.667 -9.918
76 HB3 ASN 9 2HB ASN 9 -3.692 -1.281 -9.097
77 HD21 ASN 9 2HD2 ASN 9 -5.669 -2.143 -11.899
78 HD22 ASN 9 1HD2 ASN 9 -6.653 -0.723 -11.861
79 H GLY 10 H GLY 10 -0.807 -0.546 -10.078
80 HA2 GLY 10 1HA GLY 10 0.355 1.344 -11.023
81 HA3 GLY 10 2HA GLY 10 -1.177 1.895 -11.688
82 H SER 11 H SER 11 -1.674 0.767 -8.593
83 HA SER 11 HA SER 11 -1.478 3.499 -7.504
84 HB2 SER 11 1HB SER 11 -3.799 2.678 -7.747
85 HB3 SER 11 2HB SER 11 -3.410 1.304 -6.712
86 HG SER 11 HG SER 11 -4.399 3.367 -5.790
87 H ILE 12 H ILE 12 -1.227 3.585 -5.105
88 HA ILE 12 HA ILE 12 0.531 1.411 -4.171
89 HB ILE 12 HB ILE 12 0.738 4.343 -3.471
90 HG12 ILE 12 1HG1 ILE 12 3.056 3.846 -4.672
91 HG13 ILE 12 2HG1 ILE 12 2.099 2.617 -5.491
92 HG21 ILE 12 1HG2 ILE 12 2.954 3.556 -2.504
93 HG22 ILE 12 2HG2 ILE 12 1.497 3.123 -1.612
94 HG23 ILE 12 3HG2 ILE 12 2.300 1.922 -2.623
95 HD11 ILE 12 3HD1 ILE 12 2.360 5.210 -6.281
96 HD12 ILE 12 1HD1 ILE 12 1.058 4.122 -6.762
97 HD13 ILE 12 2HD1 ILE 12 0.824 5.237 -5.416
98 H SER 13 H SER 13 0.318 0.700 -2.075
99 HA SER 13 HA SER 13 -2.233 1.021 -0.866
100 HB2 SER 13 1HB SER 13 0.302 -0.378 -0.033
101 HB3 SER 13 2HB SER 13 -1.100 -0.303 1.034
102 HG SER 13 HG SER 13 -1.125 -1.320 -1.617
103 H ASP 14 H ASP 14 -2.876 2.691 0.304
104 HA ASP 14 HA ASP 14 -0.960 4.511 1.480
105 HB2 ASP 14 1HB ASP 14 -3.977 4.597 1.652
106 HB3 ASP 14 2HB ASP 14 -2.859 5.920 1.969
107 H TYR 15 H TYR 15 -3.857 2.893 2.795
108 HA TYR 15 HA TYR 15 -2.719 3.047 5.466
109 HB2 TYR 15 1HB TYR 15 -5.421 2.308 4.376
110 HB3 TYR 15 2HB TYR 15 -4.990 1.939 6.042
111 HD1 TYR 15 HD1 TYR 15 -3.546 4.239 6.969
112 HD2 TYR 15 HD2 TYR 15 -6.899 4.081 4.354
113 HE1 TYR 15 HE1 TYR 15 -4.169 6.521 7.639
114 HE2 TYR 15 HE2 TYR 15 -7.530 6.364 5.015
115 HH TYR 15 HH TYR 15 -6.586 8.329 5.980
116 H CYS 16 H CYS 16 -2.627 1.183 6.870
117 HA CYS 16 HA CYS 16 -2.139 -1.322 5.394
118 HB2 CYS 16 1HB CYS 16 -0.407 -1.857 7.030
119 HB3 CYS 16 2HB CYS 16 -0.062 -0.313 6.257
120 H GLU 17 H GLU 17 -2.848 -3.243 6.288
121 HA GLU 17 HA GLU 17 -5.083 -3.022 8.080
122 HB2 GLU 17 1HB GLU 17 -4.720 -4.647 6.061
123 HB3 GLU 17 2HB GLU 17 -3.888 -5.641 7.249
124 HG2 GLU 17 1HG GLU 17 -5.817 -5.997 8.491
125 HG3 GLU 17 2HG GLU 17 -6.648 -4.618 7.776
126 H TYR 18 H TYR 18 -5.276 -3.806 10.154
127 HA TYR 18 HA TYR 18 -2.819 -4.784 11.442
128 HB2 TYR 18 1HB TYR 18 -3.216 -3.382 13.371
129 HB3 TYR 18 2HB TYR 18 -3.164 -2.368 11.934
130 HD1 TYR 18 HD1 TYR 18 -5.351 -1.570 10.942
131 HD2 TYR 18 HD2 TYR 18 -5.107 -3.401 14.775
132 HE1 TYR 18 HE1 TYR 18 -7.544 -0.624 11.527
133 HE2 TYR 18 HE2 TYR 18 -7.301 -2.461 15.370
134 HH TYR 18 HH TYR 18 -9.249 -1.570 14.387
Start of MODEL 18
1 H1 ASP 1 H ASP 1 2.216 4.527 10.206
2 HA ASP 1 HA ASP 1 4.726 4.161 9.152
3 HB2 ASP 1 1HB ASP 1 5.398 3.307 11.335
4 HB3 ASP 1 2HB ASP 1 4.275 4.650 11.529
5 H CYS 2 H CYS 2 2.966 2.525 7.650
6 HA CYS 2 HA CYS 2 4.121 -0.140 8.157
7 HB2 CYS 2 1HB CYS 2 2.094 -1.016 6.915
8 HB3 CYS 2 2HB CYS 2 1.774 -0.332 8.506
9 H LYS 3 H LYS 3 4.490 -1.457 6.233
10 HA LYS 3 HA LYS 3 5.940 -0.071 4.260
11 HB2 LYS 3 1HB LYS 3 6.170 -2.515 5.033
12 HB3 LYS 3 2HB LYS 3 4.866 -2.861 3.904
13 HG2 LYS 3 1HG LYS 3 6.459 -1.536 2.248
14 HG3 LYS 3 2HG LYS 3 7.684 -2.110 3.383
15 HD2 LYS 3 1HD LYS 3 7.305 -4.325 2.876
16 HD3 LYS 3 2HD LYS 3 5.648 -4.029 2.346
17 HE2 LYS 3 1HE LYS 3 6.531 -2.869 0.352
18 HE3 LYS 3 2HE LYS 3 8.168 -3.265 0.874
19 HZ1 LYS 3 3HZ LYS 3 6.706 -4.781 -0.775
20 HZ2 LYS 3 1HZ LYS 3 6.359 -5.517 0.708
21 HZ3 LYS 3 2HZ LYS 3 7.962 -5.376 0.189
22 H ARG 4 H ARG 4 5.266 0.983 2.519
23 HA ARG 4 HA ARG 4 2.529 1.058 1.764
24 HB2 ARG 4 1HB ARG 4 5.051 2.195 0.588
25 HB3 ARG 4 2HB ARG 4 3.513 2.345 -0.251
26 HG2 ARG 4 1HG ARG 4 3.596 4.321 0.907
27 HG3 ARG 4 2HG ARG 4 2.684 3.304 2.025
28 HD2 ARG 4 1HD ARG 4 4.497 3.040 3.458
29 HD3 ARG 4 2HD ARG 4 5.666 3.486 2.216
30 HE ARG 4 HE ARG 4 4.069 5.709 2.655
31 HH11 ARG 4 1HH1 ARG 4 6.308 3.739 4.451
32 HH12 ARG 4 2HH1 ARG 4 6.816 5.031 5.488
33 HH21 ARG 4 1HH2 ARG 4 4.729 7.419 4.013
34 HH22 ARG 4 2HH2 ARG 4 5.916 7.123 5.238
35 H LYS 5 H LYS 5 1.546 -0.582 0.787
36 HA LYS 5 HA LYS 5 2.959 -2.482 -0.834
37 HB2 LYS 5 1HB LYS 5 0.128 -2.125 0.058
38 HB3 LYS 5 2HB LYS 5 0.464 -3.206 -1.288
39 HG2 LYS 5 1HG LYS 5 2.228 -4.227 0.333
40 HG3 LYS 5 2HG LYS 5 1.248 -3.450 1.577
41 HD2 LYS 5 1HD LYS 5 -0.747 -4.604 0.447
42 HD3 LYS 5 2HD LYS 5 0.462 -5.600 -0.369
43 HE2 LYS 5 1HE LYS 5 -0.251 -6.776 1.580
44 HE3 LYS 5 2HE LYS 5 1.381 -6.181 1.882
45 HZ1 LYS 5 3HZ LYS 5 -1.022 -4.699 2.769
46 HZ2 LYS 5 1HZ LYS 5 0.577 -4.505 3.285
47 HZ3 LYS 5 2HZ LYS 5 -0.293 -5.886 3.730
48 H VAL 6 H VAL 6 3.498 -2.151 -2.879
49 HA VAL 6 HA VAL 6 2.058 -0.167 -4.463
50 HB VAL 6 HB VAL 6 4.537 -1.723 -5.204
51 HG11 VAL 6 1HG1 VAL 6 4.242 0.855 -6.439
52 HG12 VAL 6 2HG1 VAL 6 4.425 -0.731 -7.189
53 HG13 VAL 6 3HG1 VAL 6 2.821 -0.141 -6.750
54 HG21 VAL 6 3HG2 VAL 6 4.146 0.599 -3.470
55 HG22 VAL 6 1HG2 VAL 6 5.526 -0.489 -3.616
56 HG23 VAL 6 2HG2 VAL 6 5.337 0.851 -4.747
57 H TYR 7 H TYR 7 0.731 -0.640 -6.109
58 HA TYR 7 HA TYR 7 0.270 -3.472 -6.706
59 HB2 TYR 7 1HB TYR 7 -1.409 -1.016 -6.784
60 HB3 TYR 7 2HB TYR 7 -1.775 -2.284 -7.948
61 HD1 TYR 7 HD1 TYR 7 -1.100 -1.890 -4.291
62 HD2 TYR 7 HD2 TYR 7 -3.287 -3.914 -7.329
63 HE1 TYR 7 HE1 TYR 7 -2.366 -3.102 -2.565
64 HE2 TYR 7 HE2 TYR 7 -4.559 -5.130 -5.611
65 HH TYR 7 HH TYR 7 -4.045 -5.805 -3.072
66 HA PRO 8 HA PRO 8 1.820 -3.280 -10.805
67 HB2 PRO 8 1HB PRO 8 0.011 -4.760 -12.186
68 HB3 PRO 8 2HB PRO 8 1.166 -5.469 -11.053
69 HG2 PRO 8 1HG PRO 8 -1.720 -4.791 -10.638
70 HG3 PRO 8 2HG PRO 8 -0.826 -6.238 -10.133
71 HD2 PRO 8 1HD PRO 8 -1.392 -4.208 -8.433
72 HD3 PRO 8 2HD PRO 8 0.081 -5.189 -8.292
73 H ASN 9 H ASN 9 -1.395 -2.149 -10.179
74 HA ASN 9 HA ASN 9 -1.994 -1.151 -12.765
75 HB2 ASN 9 1HB ASN 9 -3.050 -0.041 -10.163
76 HB3 ASN 9 2HB ASN 9 -3.831 -0.028 -11.742
77 HD21 ASN 9 2HD2 ASN 9 -4.132 -1.320 -8.863
78 HD22 ASN 9 1HD2 ASN 9 -4.742 -2.889 -9.251
79 H GLY 10 H GLY 10 0.083 -0.064 -10.267
80 HA2 GLY 10 1HA GLY 10 1.741 1.606 -10.794
81 HA3 GLY 10 2HA GLY 10 0.536 2.429 -11.774
82 H SER 11 H SER 11 -0.893 1.358 -8.962
83 HA SER 11 HA SER 11 -0.526 3.998 -7.703
84 HB2 SER 11 1HB SER 11 -2.851 3.205 -8.626
85 HB3 SER 11 2HB SER 11 -2.905 2.261 -7.138
86 HG SER 11 HG SER 11 -3.811 4.197 -6.644
87 H ILE 12 H ILE 12 -0.859 4.003 -5.311
88 HA ILE 12 HA ILE 12 0.276 1.559 -4.114
89 HB ILE 12 HB ILE 12 0.698 4.418 -3.231
90 HG12 ILE 12 1HG1 ILE 12 2.788 2.508 -4.261
91 HG13 ILE 12 2HG1 ILE 12 1.883 3.556 -5.346
92 HG21 ILE 12 1HG2 ILE 12 2.551 2.951 -1.912
93 HG22 ILE 12 2HG2 ILE 12 0.991 3.422 -1.237
94 HG23 ILE 12 3HG2 ILE 12 1.197 1.822 -1.950
95 HD11 ILE 12 3HD1 ILE 12 3.969 4.228 -3.355
96 HD12 ILE 12 1HD1 ILE 12 3.705 4.855 -4.982
97 HD13 ILE 12 2HD1 ILE 12 2.691 5.407 -3.649
98 H SER 13 H SER 13 -0.538 0.838 -2.170
99 HA SER 13 HA SER 13 -3.123 1.999 -1.401
100 HB2 SER 13 1HB SER 13 -1.965 -0.757 -1.269
101 HB3 SER 13 2HB SER 13 -3.213 -0.303 -0.109
102 HG SER 13 HG SER 13 -4.490 0.333 -1.968
103 H ASP 14 H ASP 14 -3.394 2.952 0.513
104 HA ASP 14 HA ASP 14 -1.202 2.757 2.470
105 HB2 ASP 14 1HB ASP 14 -1.839 4.967 3.253
106 HB3 ASP 14 2HB ASP 14 -1.573 5.013 1.513
107 H TYR 15 H TYR 15 -3.204 0.783 2.376
108 HA TYR 15 HA TYR 15 -4.675 1.346 4.869
109 HB2 TYR 15 1HB TYR 15 -6.004 1.016 2.660
110 HB3 TYR 15 2HB TYR 15 -5.601 -0.686 2.858
111 HD1 TYR 15 HD1 TYR 15 -6.074 -1.570 5.362
112 HD2 TYR 15 HD2 TYR 15 -8.037 1.705 3.485
113 HE1 TYR 15 HE1 TYR 15 -7.980 -1.846 6.891
114 HE2 TYR 15 HE2 TYR 15 -9.949 1.440 5.011
115 HH TYR 15 HH TYR 15 -10.366 0.479 7.290
116 H CYS 16 H CYS 16 -3.486 0.392 6.411
117 HA CYS 16 HA CYS 16 -2.835 -2.458 6.051
118 HB2 CYS 16 1HB CYS 16 -0.829 -2.053 7.503
119 HB3 CYS 16 2HB CYS 16 -0.750 -1.276 5.924
120 H GLU 17 H GLU 17 -3.554 -3.779 7.604
121 HA GLU 17 HA GLU 17 -5.314 -2.865 9.599
122 HB2 GLU 17 1HB GLU 17 -4.052 -5.477 8.920
123 HB3 GLU 17 2HB GLU 17 -4.792 -5.309 10.506
124 HG2 GLU 17 1HG GLU 17 -6.438 -6.229 9.104
125 HG3 GLU 17 2HG GLU 17 -6.875 -4.536 9.328
126 H TYR 18 H TYR 18 -4.949 -2.055 11.552
127 HA TYR 18 HA TYR 18 -2.322 -1.652 12.537
128 HB2 TYR 18 1HB TYR 18 -3.514 -0.801 14.586
129 HB3 TYR 18 2HB TYR 18 -3.996 -0.031 13.078
130 HD1 TYR 18 HD2 TYR 18 -5.002 -2.753 15.416
131 HD2 TYR 18 HD1 TYR 18 -6.250 0.097 12.515
132 HE1 TYR 18 HE2 TYR 18 -7.350 -3.305 15.895
133 HE2 TYR 18 HE1 TYR 18 -8.603 -0.445 12.985
134 HH TYR 18 HH TYR 18 -9.477 -3.038 15.224
Start of MODEL 19
1 H1 ASP 1 H ASP 1 4.851 1.678 13.335
2 HA ASP 1 HA ASP 1 4.314 3.369 11.288
3 HB2 ASP 1 1HB ASP 1 6.039 2.173 9.967
4 HB3 ASP 1 2HB ASP 1 6.533 2.450 11.636
5 H CYS 2 H CYS 2 4.059 2.851 8.912
6 HA CYS 2 HA CYS 2 2.260 0.598 8.415
7 HB2 CYS 2 1HB CYS 2 1.601 3.505 8.046
8 HB3 CYS 2 2HB CYS 2 0.854 2.285 7.020
9 H LYS 3 H LYS 3 2.287 -0.178 6.322
10 HA LYS 3 HA LYS 3 4.321 1.025 4.560
11 HB2 LYS 3 1HB LYS 3 4.645 -1.249 3.636
12 HB3 LYS 3 2HB LYS 3 5.024 -1.155 5.351
13 HG2 LYS 3 1HG LYS 3 2.747 -2.069 5.823
14 HG3 LYS 3 2HG LYS 3 2.558 -2.326 4.086
15 HD2 LYS 3 1HD LYS 3 4.850 -3.460 5.679
16 HD3 LYS 3 2HD LYS 3 3.334 -4.326 5.421
17 HE2 LYS 3 1HE LYS 3 4.808 -3.205 3.079
18 HE3 LYS 3 2HE LYS 3 5.369 -4.703 3.820
19 HZ1 LYS 3 3HZ LYS 3 3.714 -4.865 1.908
20 HZ2 LYS 3 1HZ LYS 3 2.547 -4.354 3.021
21 HZ3 LYS 3 2HZ LYS 3 3.400 -5.790 3.288
22 H ARG 4 H ARG 4 3.682 1.728 2.627
23 HA ARG 4 HA ARG 4 0.927 1.568 1.872
24 HB2 ARG 4 1HB ARG 4 3.367 2.738 0.545
25 HB3 ARG 4 2HB ARG 4 1.778 2.768 -0.210
26 HG2 ARG 4 1HG ARG 4 0.890 4.107 1.564
27 HG3 ARG 4 2HG ARG 4 2.386 3.950 2.488
28 HD2 ARG 4 1HD ARG 4 2.108 5.300 -0.194
29 HD3 ARG 4 2HD ARG 4 2.225 6.124 1.361
30 HE ARG 4 HE ARG 4 4.452 4.552 1.256
31 HH11 ARG 4 1HH1 ARG 4 3.074 7.005 -0.794
32 HH12 ARG 4 2HH1 ARG 4 4.606 7.545 -1.398
33 HH21 ARG 4 1HH2 ARG 4 6.474 5.253 0.468
34 HH22 ARG 4 2HH2 ARG 4 6.539 6.547 -0.680
35 H LYS 5 H LYS 5 0.002 -0.045 0.815
36 HA LYS 5 HA LYS 5 1.478 -2.196 -0.307
37 HB2 LYS 5 1HB LYS 5 -0.957 -2.103 0.670
38 HB3 LYS 5 2HB LYS 5 -1.396 -1.709 -0.987
39 HG2 LYS 5 1HG LYS 5 -0.672 -3.777 -1.794
40 HG3 LYS 5 2HG LYS 5 0.267 -4.116 -0.338
41 HD2 LYS 5 1HD LYS 5 -1.858 -4.232 0.940
42 HD3 LYS 5 2HD LYS 5 -2.741 -4.026 -0.574
43 HE2 LYS 5 1HE LYS 5 -1.286 -6.071 -1.336
44 HE3 LYS 5 2HE LYS 5 -1.144 -6.353 0.399
45 HZ1 LYS 5 3HZ LYS 5 -3.837 -5.817 -0.363
46 HZ2 LYS 5 1HZ LYS 5 -3.202 -7.142 0.475
47 HZ3 LYS 5 2HZ LYS 5 -3.212 -7.137 -1.216
48 H VAL 6 H VAL 6 1.869 -2.751 -2.420
49 HA VAL 6 HA VAL 6 1.511 -0.586 -4.379
50 HB VAL 6 HB VAL 6 3.830 -1.200 -4.044
51 HG11 VAL 6 1HG1 VAL 6 4.654 -3.446 -4.549
52 HG12 VAL 6 2HG1 VAL 6 3.496 -3.472 -3.218
53 HG13 VAL 6 3HG1 VAL 6 3.002 -3.992 -4.829
54 HG21 VAL 6 3HG2 VAL 6 4.355 -1.082 -6.232
55 HG22 VAL 6 1HG2 VAL 6 3.408 -2.513 -6.642
56 HG23 VAL 6 2HG2 VAL 6 2.609 -0.953 -6.448
57 H TYR 7 H TYR 7 0.318 -0.875 -6.167
58 HA TYR 7 HA TYR 7 -0.984 -3.477 -6.516
59 HB2 TYR 7 1HB TYR 7 -1.722 -0.664 -7.172
60 HB3 TYR 7 2HB TYR 7 -2.369 -1.946 -8.191
61 HD1 TYR 7 HD2 TYR 7 -3.065 -4.084 -6.472
62 HD2 TYR 7 HD1 TYR 7 -3.311 0.090 -5.688
63 HE1 TYR 7 HE2 TYR 7 -4.839 -4.505 -4.822
64 HE2 TYR 7 HE1 TYR 7 -5.086 -0.319 -4.034
65 HH TYR 7 HH TYR 7 -6.909 -2.407 -3.770
66 HA PRO 8 HA PRO 8 1.027 -4.432 -10.295
67 HB2 PRO 8 1HB PRO 8 -0.989 -5.472 -11.786
68 HB3 PRO 8 2HB PRO 8 -0.281 -6.318 -10.406
69 HG2 PRO 8 1HG PRO 8 -2.805 -4.717 -10.553
70 HG3 PRO 8 2HG PRO 8 -2.511 -6.270 -9.751
71 HD2 PRO 8 1HD PRO 8 -2.573 -3.923 -8.403
72 HD3 PRO 8 2HD PRO 8 -1.537 -5.279 -7.912
73 H ASN 9 H ASN 9 -1.677 -2.266 -10.340
74 HA ASN 9 HA ASN 9 -1.597 -1.556 -13.083
75 HB2 ASN 9 1HB ASN 9 -2.718 -0.230 -10.624
76 HB3 ASN 9 2HB ASN 9 -2.773 0.565 -12.194
77 HD21 ASN 9 2HD2 ASN 9 -5.011 0.519 -12.244
78 HD22 ASN 9 1HD2 ASN 9 -5.897 -0.938 -12.525
79 H GLY 10 H GLY 10 0.412 -0.792 -10.417
80 HA2 GLY 10 1HA GLY 10 2.582 0.167 -10.846
81 HA3 GLY 10 2HA GLY 10 1.846 1.158 -12.096
82 H SER 11 H SER 11 -0.181 1.052 -9.454
83 HA SER 11 HA SER 11 0.899 3.603 -8.449
84 HB2 SER 11 1HB SER 11 -1.422 3.463 -9.664
85 HB3 SER 11 2HB SER 11 -1.979 2.834 -8.114
86 HG SER 11 HG SER 11 -2.041 5.218 -8.502
87 H ILE 12 H ILE 12 0.272 4.093 -6.162
88 HA ILE 12 HA ILE 12 0.389 1.636 -4.536
89 HB ILE 12 HB ILE 12 1.568 2.973 -2.823
90 HG12 ILE 12 1HG1 ILE 12 1.635 5.097 -4.979
91 HG13 ILE 12 2HG1 ILE 12 0.732 5.190 -3.472
92 HG21 ILE 12 1HG2 ILE 12 2.756 1.607 -4.543
93 HG22 ILE 12 2HG2 ILE 12 2.983 3.084 -5.479
94 HG23 ILE 12 3HG2 ILE 12 3.710 2.933 -3.879
95 HD11 ILE 12 3HD1 ILE 12 2.654 6.482 -3.143
96 HD12 ILE 12 1HD1 ILE 12 2.964 4.967 -2.295
97 HD13 ILE 12 2HD1 ILE 12 3.701 5.263 -3.871
98 H SER 13 H SER 13 -0.630 1.710 -2.445
99 HA SER 13 HA SER 13 -2.821 3.676 -2.295
100 HB2 SER 13 1HB SER 13 -3.613 1.403 -2.910
101 HB3 SER 13 2HB SER 13 -2.922 0.782 -1.411
102 HG SER 13 HG SER 13 -4.381 1.983 -0.251
103 H ASP 14 H ASP 14 -3.741 3.854 -0.038
104 HA ASP 14 HA ASP 14 -1.529 3.832 1.907
105 HB2 ASP 14 1HB ASP 14 -2.418 6.080 1.218
106 HB3 ASP 14 2HB ASP 14 -3.960 5.628 1.939
107 H TYR 15 H TYR 15 -1.908 1.793 2.758
108 HA TYR 15 HA TYR 15 -4.360 1.572 4.369
109 HB2 TYR 15 1HB TYR 15 -3.217 -0.372 2.424
110 HB3 TYR 15 2HB TYR 15 -3.928 -1.016 3.899
111 HD1 TYR 15 HD1 TYR 15 -6.328 -0.149 4.471
112 HD2 TYR 15 HD2 TYR 15 -4.582 0.046 0.596
113 HE1 TYR 15 HE1 TYR 15 -8.570 0.033 3.476
114 HE2 TYR 15 HE2 TYR 15 -6.819 0.230 -0.410
115 HH TYR 15 HH TYR 15 -9.519 1.031 1.249
116 H CYS 16 H CYS 16 -4.164 0.307 6.291
117 HA CYS 16 HA CYS 16 -1.384 -0.095 7.183
118 HB2 CYS 16 1HB CYS 16 -3.698 1.159 8.653
119 HB3 CYS 16 2HB CYS 16 -2.296 0.515 9.500
120 H GLU 17 H GLU 17 -0.933 -2.046 7.986
121 HA GLU 17 HA GLU 17 -3.164 -3.905 8.402
122 HB2 GLU 17 1HB GLU 17 -1.244 -4.387 6.764
123 HB3 GLU 17 2HB GLU 17 -0.260 -4.663 8.193
124 HG2 GLU 17 1HG GLU 17 -1.034 -6.771 7.437
125 HG3 GLU 17 2HG GLU 17 -1.915 -6.382 8.912
126 H TYR 18 H TYR 18 -3.332 -5.158 10.259
127 HA TYR 18 HA TYR 18 -2.623 -3.953 12.677
128 HB2 TYR 18 1HB TYR 18 -3.531 -5.884 13.753
129 HB3 TYR 18 2HB TYR 18 -4.492 -5.602 12.305
130 HD1 TYR 18 HD1 TYR 18 -4.028 -7.021 10.258
131 HD2 TYR 18 HD2 TYR 18 -2.437 -7.939 14.096
132 HE1 TYR 18 HE1 TYR 18 -3.612 -9.333 9.527
133 HE2 TYR 18 HE2 TYR 18 -2.017 -10.253 13.376
134 HH TYR 18 HH TYR 18 -1.774 -11.565 11.446
Start of MODEL 20
1 H1 ASP 1 H ASP 1 3.918 1.406 13.027
2 HA ASP 1 HA ASP 1 4.165 3.473 10.999
3 HB2 ASP 1 1HB ASP 1 6.446 3.121 12.092
4 HB3 ASP 1 2HB ASP 1 6.428 1.515 11.369
5 H CYS 2 H CYS 2 4.027 2.680 8.858
6 HA CYS 2 HA CYS 2 3.374 -0.171 8.583
7 HB2 CYS 2 1HB CYS 2 1.280 1.197 8.818
8 HB3 CYS 2 2HB CYS 2 1.731 2.043 7.342
9 H LYS 3 H LYS 3 3.888 -1.090 6.620
10 HA LYS 3 HA LYS 3 5.725 0.463 4.973
11 HB2 LYS 3 1HB LYS 3 6.301 -1.834 5.834
12 HB3 LYS 3 2HB LYS 3 5.060 -2.476 4.766
13 HG2 LYS 3 1HG LYS 3 6.363 -1.233 2.906
14 HG3 LYS 3 2HG LYS 3 7.685 -1.228 4.077
15 HD2 LYS 3 1HD LYS 3 6.199 -3.719 3.261
16 HD3 LYS 3 2HD LYS 3 7.674 -3.164 2.466
17 HE2 LYS 3 1HE LYS 3 8.533 -4.628 4.013
18 HE3 LYS 3 2HE LYS 3 8.611 -3.111 4.908
19 HZ1 LYS 3 3HZ LYS 3 6.095 -4.237 5.347
20 HZ2 LYS 3 1HZ LYS 3 7.349 -4.022 6.462
21 HZ3 LYS 3 2HZ LYS 3 7.238 -5.462 5.582
22 H ARG 4 H ARG 4 4.978 1.498 3.253
23 HA ARG 4 HA ARG 4 2.420 1.184 2.167
24 HB2 ARG 4 1HB ARG 4 4.913 2.391 0.959
25 HB3 ARG 4 2HB ARG 4 3.307 2.533 0.255
26 HG2 ARG 4 1HG ARG 4 2.534 3.692 2.271
27 HG3 ARG 4 2HG ARG 4 4.158 3.570 2.951
28 HD2 ARG 4 1HD ARG 4 3.505 4.946 0.349
29 HD3 ARG 4 2HD ARG 4 3.638 5.774 1.900
30 HE ARG 4 HE ARG 4 5.779 4.943 0.229
31 HH11 ARG 4 1HH1 ARG 4 4.851 5.316 3.564
32 HH12 ARG 4 2HH1 ARG 4 6.475 5.538 4.126
33 HH21 ARG 4 1HH2 ARG 4 7.921 5.234 0.957
34 HH22 ARG 4 2HH2 ARG 4 8.219 5.491 2.642
35 H LYS 5 H LYS 5 1.577 -0.133 0.673
36 HA LYS 5 HA LYS 5 3.385 -2.055 -0.624
37 HB2 LYS 5 1HB LYS 5 1.349 -2.700 0.922
38 HB3 LYS 5 2HB LYS 5 0.418 -2.423 -0.543
39 HG2 LYS 5 1HG LYS 5 2.812 -4.207 -0.613
40 HG3 LYS 5 2HG LYS 5 1.274 -4.806 0.012
41 HD2 LYS 5 1HD LYS 5 0.345 -3.756 -2.219
42 HD3 LYS 5 2HD LYS 5 2.014 -3.974 -2.752
43 HE2 LYS 5 1HE LYS 5 0.310 -6.155 -1.556
44 HE3 LYS 5 2HE LYS 5 0.505 -5.887 -3.287
45 HZ1 LYS 5 3HZ LYS 5 3.035 -6.014 -2.593
46 HZ2 LYS 5 1HZ LYS 5 2.139 -7.399 -2.965
47 HZ3 LYS 5 2HZ LYS 5 2.400 -6.969 -1.350
48 H VAL 6 H VAL 6 3.567 -2.129 -2.783
49 HA VAL 6 HA VAL 6 2.013 -0.200 -4.343
50 HB VAL 6 HB VAL 6 4.475 -0.127 -4.530
51 HG11 VAL 6 1HG1 VAL 6 5.779 -1.884 -5.112
52 HG12 VAL 6 2HG1 VAL 6 4.444 -2.803 -4.412
53 HG13 VAL 6 3HG1 VAL 6 4.551 -2.591 -6.161
54 HG21 VAL 6 3HG2 VAL 6 3.024 0.617 -6.382
55 HG22 VAL 6 1HG2 VAL 6 4.576 -0.001 -6.945
56 HG23 VAL 6 2HG2 VAL 6 3.128 -0.996 -7.087
57 H TYR 7 H TYR 7 0.648 -0.766 -5.954
58 HA TYR 7 HA TYR 7 0.080 -3.626 -6.254
59 HB2 TYR 7 1HB TYR 7 -1.528 -1.136 -6.499
60 HB3 TYR 7 2HB TYR 7 -1.972 -2.487 -7.538
61 HD1 TYR 7 HD1 TYR 7 -1.078 -1.898 -3.950
62 HD2 TYR 7 HD2 TYR 7 -3.585 -3.916 -6.733
63 HE1 TYR 7 HE1 TYR 7 -2.319 -2.914 -2.086
64 HE2 TYR 7 HE2 TYR 7 -4.834 -4.938 -4.877
65 HH TYR 7 HH TYR 7 -4.261 -4.009 -1.546
66 HA PRO 8 HA PRO 8 1.479 -3.882 -10.403
67 HB2 PRO 8 1HB PRO 8 -0.425 -5.426 -11.570
68 HB3 PRO 8 2HB PRO 8 0.753 -6.062 -10.414
69 HG2 PRO 8 1HG PRO 8 -2.095 -5.252 -9.966
70 HG3 PRO 8 2HG PRO 8 -1.226 -6.672 -9.354
71 HD2 PRO 8 1HD PRO 8 -1.666 -4.469 -7.842
72 HD3 PRO 8 2HD PRO 8 -0.218 -5.480 -7.658
73 H ASN 9 H ASN 9 -1.675 -2.587 -9.778
74 HA ASN 9 HA ASN 9 -2.346 -1.826 -12.425
75 HB2 ASN 9 1HB ASN 9 -3.254 -0.487 -9.872
76 HB3 ASN 9 2HB ASN 9 -4.078 -0.487 -11.428
77 HD21 ASN 9 2HD2 ASN 9 -4.958 -2.487 -12.195
78 HD22 ASN 9 1HD2 ASN 9 -5.451 -3.700 -11.068
79 H GLY 10 H GLY 10 -0.136 -0.573 -10.128
80 HA2 GLY 10 1HA GLY 10 1.550 0.979 -10.879
81 HA3 GLY 10 2HA GLY 10 0.332 1.742 -11.889
82 H SER 11 H SER 11 -1.014 1.003 -8.933
83 HA SER 11 HA SER 11 -0.513 3.738 -7.957
84 HB2 SER 11 1HB SER 11 -2.876 3.126 -8.706
85 HB3 SER 11 2HB SER 11 -2.938 2.064 -7.298
86 HG SER 11 HG SER 11 -2.372 4.844 -7.198
87 H ILE 12 H ILE 12 -0.734 3.993 -5.571
88 HA ILE 12 HA ILE 12 0.445 1.668 -4.199
89 HB ILE 12 HB ILE 12 0.714 4.556 -3.370
90 HG12 ILE 12 1HG1 ILE 12 2.683 2.841 -4.900
91 HG13 ILE 12 2HG1 ILE 12 1.755 4.173 -5.580
92 HG21 ILE 12 1HG2 ILE 12 2.818 2.823 -2.506
93 HG22 ILE 12 2HG2 ILE 12 1.684 3.764 -1.539
94 HG23 ILE 12 3HG2 ILE 12 1.261 2.132 -2.053
95 HD11 ILE 12 3HD1 ILE 12 3.858 5.072 -5.166
96 HD12 ILE 12 1HD1 ILE 12 2.880 5.622 -3.806
97 HD13 ILE 12 2HD1 ILE 12 3.996 4.271 -3.601
98 H SER 13 H SER 13 -0.433 0.937 -2.329
99 HA SER 13 HA SER 13 -3.117 1.412 -1.757
100 HB2 SER 13 1HB SER 13 -2.076 -0.637 -1.034
101 HB3 SER 13 2HB SER 13 -0.929 0.243 -0.025
102 HG SER 13 HG SER 13 -2.394 -0.174 1.448
103 H ASP 14 H ASP 14 -4.168 2.503 -0.072
104 HA ASP 14 HA ASP 14 -2.651 4.788 0.990
105 HB2 ASP 14 1HB ASP 14 -4.504 5.478 -0.393
106 HB3 ASP 14 2HB ASP 14 -5.611 4.433 0.493
107 H TYR 15 H TYR 15 -4.888 2.211 1.867
108 HA TYR 15 HA TYR 15 -4.311 2.771 4.703
109 HB2 TYR 15 1HB TYR 15 -6.648 3.180 4.283
110 HB3 TYR 15 2HB TYR 15 -6.817 1.643 3.444
111 HD1 TYR 15 HD2 TYR 15 -5.744 2.946 6.782
112 HD2 TYR 15 HD1 TYR 15 -7.750 -0.115 4.611
113 HE1 TYR 15 HE2 TYR 15 -6.381 1.870 8.899
114 HE2 TYR 15 HE1 TYR 15 -8.394 -1.198 6.723
115 HH TYR 15 HH TYR 15 -8.732 -0.483 9.131
116 H CYS 16 H CYS 16 -3.618 1.121 5.974
117 HA CYS 16 HA CYS 16 -3.512 -1.573 4.807
118 HB2 CYS 16 1HB CYS 16 -1.203 -1.782 5.852
119 HB3 CYS 16 2HB CYS 16 -1.317 -0.768 4.417
120 H GLU 17 H GLU 17 -3.162 -3.279 6.407
121 HA GLU 17 HA GLU 17 -4.547 -2.637 8.896
122 HB2 GLU 17 1HB GLU 17 -5.433 -4.498 7.613
123 HB3 GLU 17 2HB GLU 17 -3.861 -5.286 7.614
124 HG2 GLU 17 1HG GLU 17 -3.979 -5.675 9.967
125 HG3 GLU 17 2HG GLU 17 -5.442 -4.700 10.103
126 H TYR 18 H TYR 18 -3.702 -2.970 10.915
127 HA TYR 18 HA TYR 18 -0.839 -2.941 11.123
128 HB2 TYR 18 1HB TYR 18 -2.468 -1.639 12.586
129 HB3 TYR 18 2HB TYR 18 -2.799 -3.160 13.407
130 HD1 TYR 18 HD2 TYR 18 -0.193 -0.640 12.706
131 HD2 TYR 18 HD1 TYR 18 -1.268 -4.064 14.994
132 HE1 TYR 18 HE2 TYR 18 1.751 -0.269 14.165
133 HE2 TYR 18 HE1 TYR 18 0.672 -3.700 16.460
134 HH TYR 18 HH TYR 18 2.625 -2.570 16.684
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