Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20860 | 2gmc RC | 6437 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H PHE 1 1H PHE 1 2.166 -0.050 0.602
2 HA PHE 1 HA PHE 1 1.959 0.855 -2.219
3 1HB PHE 1 1HB PHE 1 4.434 0.812 -2.087
4 2HB PHE 1 2HB PHE 1 3.732 1.843 -0.874
5 HD1 PHE 1 HD1 PHE 1 3.975 1.335 1.556
6 HD2 PHE 1 HD2 PHE 1 5.664 -1.295 -1.398
7 HE1 PHE 1 HE1 PHE 1 5.317 0.231 3.298
8 HE2 PHE 1 HE2 PHE 1 7.010 -2.384 0.356
9 HZ PHE 1 HZ PHE 1 6.835 -1.627 2.704
10 H GLN 2 H GLN 2 2.004 -2.125 -0.531
11 HA GLN 2 HA GLN 2 3.288 -3.802 -2.651
12 1HB GLN 2 1HB GLN 2 2.433 -5.685 -1.178
13 2HB GLN 2 2HB GLN 2 3.679 -4.656 -0.521
14 1HG GLN 2 1HG GLN 2 2.078 -3.473 0.946
15 2HG GLN 2 2HG GLN 2 0.704 -4.271 0.208
16 1HE2 GLN 2 1HE2 GLN 2 3.555 -4.793 2.282
17 2HE2 GLN 2 2HE2 GLN 2 2.844 -6.315 3.039
18 H TRP 3 H TRP 3 0.028 -2.680 -1.931
19 HA TRP 3 HA TRP 3 -0.824 -3.719 -4.577
20 1HB TRP 3 1HB TRP 3 -2.839 -5.047 -3.607
21 2HB TRP 3 2HB TRP 3 -1.252 -5.752 -3.659
22 HD1 TRP 3 HD1 TRP 3 -0.601 -7.067 -1.656
23 HE1 TRP 3 HE1 TRP 3 -1.173 -7.261 0.920
24 HE3 TRP 3 HE3 TRP 3 -3.569 -2.972 -1.417
25 HZ2 TRP 3 HZ2 TRP 3 -3.000 -5.876 2.601
26 HZ3 TRP 3 HZ3 TRP 3 -4.589 -2.366 0.703
27 HH2 TRP 3 HH2 TRP 3 -4.331 -3.795 2.712
28 H GLN 4 H GLN 4 -0.853 -1.034 -3.213
29 HA GLN 4 HA GLN 4 -3.440 -0.109 -2.846
30 1HB GLN 4 1HB GLN 4 -2.699 2.076 -3.022
31 2HB GLN 4 2HB GLN 4 -1.322 1.178 -2.475
32 1HG GLN 4 1HG GLN 4 -1.790 2.462 -5.238
33 2HG GLN 4 2HG GLN 4 -0.659 2.955 -4.009
34 1HE2 GLN 4 1HE2 GLN 4 -1.249 0.673 -6.439
35 2HE2 GLN 4 2HE2 GLN 4 0.451 0.013 -6.570
36 H ARG 5 H ARG 5 -2.482 -1.062 -5.910
37 HA ARG 5 HA ARG 5 -5.287 -0.625 -6.868
38 1HB ARG 5 1HB ARG 5 -2.793 0.360 -8.370
39 2HB ARG 5 2HB ARG 5 -4.045 -0.283 -9.332
40 1HG ARG 5 1HG ARG 5 -4.462 2.051 -7.339
41 2HG ARG 5 2HG ARG 5 -4.067 2.226 -9.032
42 1HD ARG 5 1HD ARG 5 -6.396 2.576 -9.096
43 2HD ARG 5 2HD ARG 5 -6.242 0.928 -9.621
44 HE ARG 5 HE ARG 5 -7.195 0.106 -7.525
45 1HH1 ARG 5 1HH1 ARG 5 -6.772 3.546 -7.329
46 2HH1 ARG 5 2HH1 ARG 5 -7.742 3.651 -5.781
47 1HH2 ARG 5 1HH2 ARG 5 -8.288 0.256 -5.778
48 2HH2 ARG 5 2HH2 ARG 5 -8.538 1.860 -4.958
49 H ASN 6 H ASN 6 -3.871 -2.988 -5.769
50 HA ASN 6 HA ASN 6 -4.711 -4.944 -7.973
51 1HB ASN 6 1HB ASN 6 -1.887 -4.898 -6.723
52 2HB ASN 6 2HB ASN 6 -2.547 -6.295 -7.522
53 1HD2 ASN 6 1HD2 ASN 6 -0.879 -3.405 -8.128
54 2HD2 ASN 6 2HD2 ASN 6 -1.007 -3.538 -9.960
55 H ILE 7 H ILE 7 -6.426 -4.838 -6.123
56 HA ILE 7 HA ILE 7 -5.885 -7.329 -4.425
57 HB ILE 7 HB ILE 7 -8.396 -6.222 -3.526
58 1HG1 ILE 7 1HG1 ILE 7 -7.533 -3.961 -4.242
59 2HG1 ILE 7 2HG1 ILE 7 -8.123 -4.177 -2.612
60 1HG2 ILE 7 1HG2 ILE 7 -7.320 -6.394 -1.295
61 2HG2 ILE 7 2HG2 ILE 7 -7.002 -7.843 -2.283
62 3HG2 ILE 7 3HG2 ILE 7 -5.732 -6.625 -2.058
63 1HD1 ILE 7 1HD1 ILE 7 -5.102 -4.267 -3.229
64 2HD1 ILE 7 2HD1 ILE 7 -5.956 -2.770 -2.763
65 3HD1 ILE 7 3HD1 ILE 7 -5.883 -4.149 -1.647
66 H ARG 8 H ARG 8 -7.761 -6.432 -7.127
67 HA ARG 8 HA ARG 8 -9.756 -8.657 -6.660
68 1HB ARG 8 1HB ARG 8 -9.680 -7.197 -9.310
69 2HB ARG 8 2HB ARG 8 -10.958 -8.106 -8.544
70 1HG ARG 8 1HG ARG 8 -10.538 -5.942 -6.705
71 2HG ARG 8 2HG ARG 8 -10.174 -5.223 -8.247
72 1HD ARG 8 1HD ARG 8 -12.458 -4.756 -8.230
73 2HD ARG 8 2HD ARG 8 -12.541 -6.302 -9.018
74 HE ARG 8 HE ARG 8 -13.517 -7.305 -7.021
75 1HH1 ARG 8 1HH1 ARG 8 -12.361 -4.122 -6.241
76 2HH1 ARG 8 2HH1 ARG 8 -13.230 -4.112 -4.630
77 1HH2 ARG 8 1HH2 ARG 8 -14.497 -7.263 -5.186
78 2HH2 ARG 8 2HH2 ARG 8 -14.367 -5.823 -4.082
79 H LYS 9 H LYS 9 -6.946 -8.057 -8.766
80 HA LYS 9 HA LYS 9 -6.796 -10.874 -9.689
81 1HB LYS 9 1HB LYS 9 -4.524 -10.474 -10.395
82 2HB LYS 9 2HB LYS 9 -5.614 -9.283 -11.047
83 1HG LYS 9 1HG LYS 9 -4.647 -7.464 -9.824
84 2HG LYS 9 2HG LYS 9 -4.120 -8.475 -8.510
85 1HD LYS 9 1HD LYS 9 -2.128 -7.842 -9.532
86 2HD LYS 9 2HD LYS 9 -2.332 -9.529 -9.969
87 1HE LYS 9 1HE LYS 9 -3.194 -8.811 -12.281
88 2HE LYS 9 2HE LYS 9 -3.049 -7.112 -11.802
89 1HZ LYS 9 1HZ LYS 9 -0.719 -9.043 -11.852
90 2HZ LYS 9 2HZ LYS 9 -0.992 -7.895 -12.999
91 3HZ LYS 9 3HZ LYS 9 -0.619 -7.455 -11.460
92 H VAL 10 H VAL 10 -5.456 -9.220 -6.820
93 HA VAL 10 HA VAL 10 -4.316 -11.880 -5.793
94 HB VAL 10 HB VAL 10 -4.005 -9.094 -4.545
95 1HG1 VAL 10 1HG1 VAL 10 -3.733 -10.981 -2.872
96 2HG1 VAL 10 2HG1 VAL 10 -2.491 -11.722 -3.903
97 3HG1 VAL 10 3HG1 VAL 10 -2.210 -10.133 -3.151
98 1HG2 VAL 10 1HG2 VAL 10 -1.605 -9.150 -5.305
99 2HG2 VAL 10 2HG2 VAL 10 -1.910 -10.650 -6.220
100 3HG2 VAL 10 3HG2 VAL 10 -2.701 -9.127 -6.687
101 H ARG 11 H ARG 11 -6.656 -12.428 -5.953
102 HA ARG 11 HA ARG 11 -8.614 -11.142 -4.262
103 1HB ARG 11 1HB ARG 11 -8.957 -12.299 -6.473
104 2HB ARG 11 2HB ARG 11 -8.917 -13.855 -5.693
105 1HG ARG 11 1HG ARG 11 -10.887 -11.698 -4.699
106 2HG ARG 11 2HG ARG 11 -11.220 -12.446 -6.230
107 1HD ARG 11 1HD ARG 11 -10.815 -14.097 -3.637
108 2HD ARG 11 2HD ARG 11 -12.378 -13.441 -4.138
109 HE ARG 11 HE ARG 11 -11.335 -14.883 -6.431
110 1HH1 ARG 11 1HH1 ARG 11 -12.447 -15.655 -3.229
111 2HH1 ARG 11 2HH1 ARG 11 -13.050 -17.302 -3.750
112 1HH2 ARG 11 1HH2 ARG 11 -12.044 -16.750 -6.997
113 2HH2 ARG 11 2HH2 ARG 11 -12.821 -17.872 -5.794
114 1HN NH2 12 1HN NH2 12 -7.801 -14.410 -1.904
115 2HN NH2 12 2HN NH2 12 -7.006 -14.321 -3.559
116 1H2 DAO 13 1H2 DAO 13 -0.009 0.569 1.860
117 2H2 DAO 13 2H2 DAO 13 -1.430 0.899 0.883
118 1H3 DAO 13 1H3 DAO 13 -2.015 -0.798 2.591
119 2H3 DAO 13 2H3 DAO 13 -2.121 -1.468 0.983
120 1H4 DAO 13 1H4 DAO 13 -0.904 -3.204 1.678
121 2H4 DAO 13 2H4 DAO 13 0.505 -2.183 1.631
122 1H5 DAO 13 1H5 DAO 13 0.158 -3.584 3.703
123 2H5 DAO 13 2H5 DAO 13 -1.228 -2.608 4.149
124 1H6 DAO 13 1H6 DAO 13 1.574 -1.360 3.695
125 2H6 DAO 13 2H6 DAO 13 0.186 -0.604 4.478
126 1H7 DAO 13 1H7 DAO 13 0.315 -2.458 6.301
127 2H7 DAO 13 2H7 DAO 13 1.734 -3.085 5.485
128 1H8 DAO 13 1H8 DAO 13 2.604 -1.837 7.271
129 2H8 DAO 13 2H8 DAO 13 2.912 -0.822 5.873
130 1H9 DAO 13 1H9 DAO 13 0.426 -0.459 7.673
131 2H9 DAO 13 2H9 DAO 13 1.011 0.684 6.475
132 1H10 DAO 13 1H10 DAO 13 1.483 1.275 8.913
133 2H10 DAO 13 2H10 DAO 13 2.517 -0.135 9.058
134 1H11 DAO 13 1H11 DAO 13 4.056 0.847 7.256
135 2H11 DAO 13 2H11 DAO 13 3.001 2.257 7.146
136 1H12 DAO 13 1H12 DAO 13 3.462 2.789 9.605
137 2H12 DAO 13 2H12 DAO 13 4.533 1.367 9.699
138 3H12 DAO 13 3H12 DAO 13 4.961 2.736 8.648
Start of MODEL 2
1 1H PHE 1 1H PHE 1 2.069 -0.131 0.693
2 HA PHE 1 HA PHE 1 1.903 0.813 -2.118
3 1HB PHE 1 1HB PHE 1 4.367 0.877 -1.954
4 2HB PHE 1 2HB PHE 1 3.594 1.879 -0.759
5 HD1 PHE 1 HD1 PHE 1 5.620 -1.229 -1.225
6 HD2 PHE 1 HD2 PHE 1 3.906 1.465 1.657
7 HE1 PHE 1 HE1 PHE 1 6.981 -2.253 0.556
8 HE2 PHE 1 HE2 PHE 1 5.270 0.431 3.425
9 HZ PHE 1 HZ PHE 1 6.805 -1.429 2.881
10 H GLN 2 H GLN 2 1.954 -2.141 -0.487
11 HA GLN 2 HA GLN 2 3.334 -3.868 -2.495
12 1HB GLN 2 1HB GLN 2 2.304 -5.685 -1.071
13 2HB GLN 2 2HB GLN 2 3.489 -4.672 -0.291
14 1HG GLN 2 1HG GLN 2 1.793 -3.446 0.993
15 2HG GLN 2 2HG GLN 2 0.470 -4.159 0.094
16 1HE2 GLN 2 1HE2 GLN 2 1.694 -4.298 3.044
17 2HE2 GLN 2 2HE2 GLN 2 1.424 -6.089 3.377
18 H TRP 3 H TRP 3 0.046 -2.696 -1.969
19 HA TRP 3 HA TRP 3 -0.722 -3.706 -4.651
20 1HB TRP 3 1HB TRP 3 -2.747 -5.067 -3.729
21 2HB TRP 3 2HB TRP 3 -1.154 -5.756 -3.771
22 HD1 TRP 3 HD1 TRP 3 -0.652 -7.200 -1.847
23 HE1 TRP 3 HE1 TRP 3 -1.395 -7.585 0.678
24 HE3 TRP 3 HE3 TRP 3 -3.450 -2.994 -1.444
25 HZ2 TRP 3 HZ2 TRP 3 -3.254 -6.219 2.359
26 HZ3 TRP 3 HZ3 TRP 3 -4.727 -2.586 0.587
27 HH2 TRP 3 HH2 TRP 3 -4.623 -4.162 2.500
28 H GLN 4 H GLN 4 -0.788 -1.057 -3.274
29 HA GLN 4 HA GLN 4 -3.396 -0.195 -2.813
30 1HB GLN 4 1HB GLN 4 -2.690 2.006 -2.873
31 2HB GLN 4 2HB GLN 4 -1.303 1.096 -2.373
32 1HG GLN 4 1HG GLN 4 -1.782 2.519 -5.068
33 2HG GLN 4 2HG GLN 4 -0.661 2.965 -3.810
34 1HE2 GLN 4 1HE2 GLN 4 -1.190 0.848 -6.399
35 2HE2 GLN 4 2HE2 GLN 4 0.509 0.172 -6.504
36 H ARG 5 H ARG 5 -2.464 -0.974 -5.929
37 HA ARG 5 HA ARG 5 -5.298 -0.437 -6.836
38 1HB ARG 5 1HB ARG 5 -2.785 0.569 -8.255
39 2HB ARG 5 2HB ARG 5 -3.916 -0.169 -9.294
40 1HG ARG 5 1HG ARG 5 -4.583 2.202 -7.406
41 2HG ARG 5 2HG ARG 5 -4.125 2.322 -9.083
42 1HD ARG 5 1HD ARG 5 -6.427 2.515 -9.311
43 2HD ARG 5 2HD ARG 5 -6.187 0.799 -9.662
44 HE ARG 5 HE ARG 5 -6.731 1.395 -6.750
45 1HH1 ARG 5 1HH1 ARG 5 -8.287 0.727 -9.790
46 2HH1 ARG 5 2HH1 ARG 5 -9.798 0.101 -8.972
47 1HH2 ARG 5 1HH2 ARG 5 -8.457 0.692 -5.852
48 2HH2 ARG 5 2HH2 ARG 5 -9.870 0.101 -6.836
49 H ASN 6 H ASN 6 -3.910 -2.887 -5.807
50 HA ASN 6 HA ASN 6 -4.811 -4.781 -8.051
51 1HB ASN 6 1HB ASN 6 -1.966 -4.691 -6.844
52 2HB ASN 6 2HB ASN 6 -2.603 -6.107 -7.629
53 1HD2 ASN 6 1HD2 ASN 6 -1.140 -3.082 -8.292
54 2HD2 ASN 6 2HD2 ASN 6 -1.271 -3.276 -10.118
55 H ILE 7 H ILE 7 -6.505 -4.797 -6.212
56 HA ILE 7 HA ILE 7 -5.838 -7.205 -4.455
57 HB ILE 7 HB ILE 7 -8.428 -6.129 -3.657
58 1HG1 ILE 7 1HG1 ILE 7 -7.551 -3.880 -4.308
59 2HG1 ILE 7 2HG1 ILE 7 -8.094 -4.095 -2.660
60 1HG2 ILE 7 1HG2 ILE 7 -5.806 -6.574 -2.113
61 2HG2 ILE 7 2HG2 ILE 7 -7.409 -6.331 -1.386
62 3HG2 ILE 7 3HG2 ILE 7 -7.080 -7.780 -2.374
63 1HD1 ILE 7 1HD1 ILE 7 -5.900 -2.729 -2.888
64 2HD1 ILE 7 2HD1 ILE 7 -5.833 -4.110 -1.771
65 3HD1 ILE 7 3HD1 ILE 7 -5.096 -4.248 -3.372
66 H ARG 8 H ARG 8 -7.914 -6.418 -7.114
67 HA ARG 8 HA ARG 8 -9.612 -8.875 -6.609
68 1HB ARG 8 1HB ARG 8 -9.849 -6.868 -8.908
69 2HB ARG 8 2HB ARG 8 -10.846 -8.299 -8.683
70 1HG ARG 8 1HG ARG 8 -11.558 -7.409 -6.372
71 2HG ARG 8 2HG ARG 8 -10.680 -5.923 -6.722
72 1HD ARG 8 1HD ARG 8 -12.175 -5.546 -8.768
73 2HD ARG 8 2HD ARG 8 -13.066 -7.031 -8.352
74 HE ARG 8 HE ARG 8 -12.933 -5.257 -5.987
75 1HH1 ARG 8 1HH1 ARG 8 -14.631 -5.525 -9.011
76 2HH1 ARG 8 2HH1 ARG 8 -16.046 -4.551 -8.384
77 1HH2 ARG 8 1HH2 ARG 8 -14.545 -4.146 -5.313
78 2HH2 ARG 8 2HH2 ARG 8 -15.975 -3.812 -6.386
79 H LYS 9 H LYS 9 -6.785 -8.078 -8.526
80 HA LYS 9 HA LYS 9 -6.725 -10.853 -9.646
81 1HB LYS 9 1HB LYS 9 -4.624 -10.584 -10.506
82 2HB LYS 9 2HB LYS 9 -5.529 -9.169 -10.938
83 1HG LYS 9 1HG LYS 9 -4.127 -7.689 -9.765
84 2HG LYS 9 2HG LYS 9 -3.814 -8.809 -8.453
85 1HD LYS 9 1HD LYS 9 -2.349 -10.220 -9.986
86 2HD LYS 9 2HD LYS 9 -2.587 -9.038 -11.278
87 1HE LYS 9 1HE LYS 9 -1.521 -7.241 -9.859
88 2HE LYS 9 2HE LYS 9 -1.352 -8.369 -8.507
89 1HZ LYS 9 1HZ LYS 9 -0.046 -8.734 -11.213
90 2HZ LYS 9 2HZ LYS 9 0.750 -8.273 -9.850
91 3HZ LYS 9 3HZ LYS 9 0.112 -9.784 -9.965
92 H VAL 10 H VAL 10 -5.556 -9.356 -6.667
93 HA VAL 10 HA VAL 10 -4.391 -12.036 -5.719
94 HB VAL 10 HB VAL 10 -4.260 -9.322 -4.291
95 1HG1 VAL 10 1HG1 VAL 10 -2.531 -10.429 -2.822
96 2HG1 VAL 10 2HG1 VAL 10 -4.084 -11.253 -2.686
97 3HG1 VAL 10 3HG1 VAL 10 -2.785 -11.977 -3.660
98 1HG2 VAL 10 1HG2 VAL 10 -1.801 -9.294 -4.843
99 2HG2 VAL 10 2HG2 VAL 10 -1.999 -10.743 -5.865
100 3HG2 VAL 10 3HG2 VAL 10 -2.783 -9.206 -6.307
101 H ARG 11 H ARG 11 -6.695 -12.635 -6.102
102 HA ARG 11 HA ARG 11 -8.809 -11.442 -4.511
103 1HB ARG 11 1HB ARG 11 -8.838 -12.488 -6.884
104 2HB ARG 11 2HB ARG 11 -9.075 -14.043 -6.143
105 1HG ARG 11 1HG ARG 11 -10.933 -11.588 -5.714
106 2HG ARG 11 2HG ARG 11 -11.112 -12.721 -7.044
107 1HD ARG 11 1HD ARG 11 -11.448 -14.632 -5.397
108 2HD ARG 11 2HD ARG 11 -11.373 -13.469 -4.055
109 HE ARG 11 HE ARG 11 -13.357 -12.432 -5.890
110 1HH1 ARG 11 1HH1 ARG 11 -13.006 -15.224 -3.851
111 2HH1 ARG 11 2HH1 ARG 11 -14.817 -15.408 -3.655
112 1HH2 ARG 11 1HH2 ARG 11 -15.405 -12.658 -5.644
113 2HH2 ARG 11 2HH2 ARG 11 -16.092 -14.004 -4.630
114 1HN NH2 12 1HN NH2 12 -8.279 -14.931 -2.410
115 2HN NH2 12 2HN NH2 12 -7.394 -14.758 -4.011
116 1H2 DAO 13 1H2 DAO 13 -0.443 0.667 1.677
117 2H2 DAO 13 2H2 DAO 13 -1.768 0.650 0.524
118 1H3 DAO 13 1H3 DAO 13 -2.457 -0.866 2.263
119 2H3 DAO 13 2H3 DAO 13 -2.039 -1.851 0.891
120 1H4 DAO 13 1H4 DAO 13 -0.632 -3.089 2.141
121 2H4 DAO 13 2H4 DAO 13 0.421 -1.710 2.351
122 1H5 DAO 13 1H5 DAO 13 -1.170 -1.003 4.354
123 2H5 DAO 13 2H5 DAO 13 -0.002 -2.296 4.584
124 1H6 DAO 13 1H6 DAO 13 -2.868 -2.932 3.711
125 2H6 DAO 13 2H6 DAO 13 -1.671 -4.056 4.322
126 1H7 DAO 13 1H7 DAO 13 -3.178 -1.863 5.898
127 2H7 DAO 13 2H7 DAO 13 -3.451 -3.584 5.946
128 1H8 DAO 13 1H8 DAO 13 -2.287 -3.386 7.906
129 2H8 DAO 13 2H8 DAO 13 -0.939 -3.776 6.851
130 1H9 DAO 13 1H9 DAO 13 -1.797 -0.904 7.658
131 2H9 DAO 13 2H9 DAO 13 -0.381 -1.290 6.685
132 1H10 DAO 13 1H10 DAO 13 -0.827 -2.212 9.600
133 2H10 DAO 13 2H10 DAO 13 0.594 -2.607 8.629
134 1H11 DAO 13 1H11 DAO 13 1.126 -0.133 8.394
135 2H11 DAO 13 2H11 DAO 13 -0.306 0.271 9.342
136 1H12 DAO 13 1H12 DAO 13 0.652 -0.968 11.347
137 2H12 DAO 13 2H12 DAO 13 2.099 -1.386 10.392
138 3H12 DAO 13 3H12 DAO 13 1.748 0.314 10.783
Start of MODEL 3
1 1H PHE 1 1H PHE 1 2.255 -0.163 0.545
2 HA PHE 1 HA PHE 1 1.921 0.782 -2.247
3 1HB PHE 1 1HB PHE 1 4.398 0.834 -2.187
4 2HB PHE 1 2HB PHE 1 3.679 1.823 -0.948
5 HD1 PHE 1 HD1 PHE 1 4.037 1.336 1.462
6 HD2 PHE 1 HD2 PHE 1 5.725 -1.236 -1.544
7 HE1 PHE 1 HE1 PHE 1 5.461 0.273 3.163
8 HE2 PHE 1 HE2 PHE 1 7.152 -2.285 0.171
9 HZ PHE 1 HZ PHE 1 7.017 -1.538 2.525
10 H GLN 2 H GLN 2 2.067 -2.203 -0.655
11 HA GLN 2 HA GLN 2 3.378 -3.859 -2.773
12 1HB GLN 2 1HB GLN 2 2.523 -5.735 -1.309
13 2HB GLN 2 2HB GLN 2 3.719 -4.682 -0.599
14 1HG GLN 2 1HG GLN 2 2.016 -3.517 0.788
15 2HG GLN 2 2HG GLN 2 0.708 -4.356 -0.014
16 1HE2 GLN 2 1HE2 GLN 2 2.981 -4.529 2.566
17 2HE2 GLN 2 2HE2 GLN 2 2.489 -6.225 3.093
18 H TRP 3 H TRP 3 0.100 -2.764 -2.035
19 HA TRP 3 HA TRP 3 -0.758 -3.716 -4.715
20 1HB TRP 3 1HB TRP 3 -2.782 -5.065 -3.779
21 2HB TRP 3 2HB TRP 3 -1.197 -5.774 -3.836
22 HD1 TRP 3 HD1 TRP 3 -0.553 -7.111 -1.893
23 HE1 TRP 3 HE1 TRP 3 -1.080 -7.387 0.690
24 HE3 TRP 3 HE3 TRP 3 -3.538 -3.049 -1.505
25 HZ2 TRP 3 HZ2 TRP 3 -2.890 -6.042 2.436
26 HZ3 TRP 3 HZ3 TRP 3 -4.583 -2.531 0.621
27 HH2 TRP 3 HH2 TRP 3 -4.283 -4.002 2.598
28 H GLN 4 H GLN 4 -0.700 -1.087 -3.381
29 HA GLN 4 HA GLN 4 -3.256 -0.171 -2.727
30 1HB GLN 4 1HB GLN 4 -2.499 2.008 -2.804
31 2HB GLN 4 2HB GLN 4 -1.100 1.061 -2.414
32 1HG GLN 4 1HG GLN 4 -1.735 2.523 -5.056
33 2HG GLN 4 2HG GLN 4 -0.521 2.934 -3.876
34 1HE2 GLN 4 1HE2 GLN 4 -1.294 0.787 -6.398
35 2HE2 GLN 4 2HE2 GLN 4 0.384 0.102 -6.641
36 H ARG 5 H ARG 5 -2.605 -1.022 -5.905
37 HA ARG 5 HA ARG 5 -5.451 -0.332 -6.537
38 1HB ARG 5 1HB ARG 5 -3.064 0.581 -8.167
39 2HB ARG 5 2HB ARG 5 -4.197 -0.242 -9.138
40 1HG ARG 5 1HG ARG 5 -4.976 2.104 -7.259
41 2HG ARG 5 2HG ARG 5 -4.423 2.323 -8.901
42 1HD ARG 5 1HD ARG 5 -6.832 2.492 -9.010
43 2HD ARG 5 2HD ARG 5 -6.366 1.021 -9.812
44 HE ARG 5 HE ARG 5 -7.286 -0.343 -8.002
45 1HH1 ARG 5 1HH1 ARG 5 -7.471 3.005 -7.105
46 2HH1 ARG 5 2HH1 ARG 5 -8.528 2.635 -5.660
47 1HH2 ARG 5 1HH2 ARG 5 -8.597 -0.716 -6.435
48 2HH2 ARG 5 2HH2 ARG 5 -9.111 0.622 -5.315
49 H ASN 6 H ASN 6 -3.863 -2.885 -5.764
50 HA ASN 6 HA ASN 6 -4.864 -4.695 -8.063
51 1HB ASN 6 1HB ASN 6 -2.063 -4.620 -6.781
52 2HB ASN 6 2HB ASN 6 -2.600 -5.926 -7.791
53 1HD2 ASN 6 1HD2 ASN 6 -3.260 -5.329 -10.083
54 2HD2 ASN 6 2HD2 ASN 6 -2.283 -3.955 -10.823
55 H ILE 7 H ILE 7 -6.416 -4.627 -5.871
56 HA ILE 7 HA ILE 7 -5.892 -7.316 -4.549
57 HB ILE 7 HB ILE 7 -8.420 -6.291 -3.583
58 1HG1 ILE 7 1HG1 ILE 7 -7.625 -3.984 -4.171
59 2HG1 ILE 7 2HG1 ILE 7 -8.151 -4.304 -2.544
60 1HG2 ILE 7 1HG2 ILE 7 -5.734 -6.739 -2.179
61 2HG2 ILE 7 2HG2 ILE 7 -7.319 -6.570 -1.380
62 3HG2 ILE 7 3HG2 ILE 7 -6.998 -7.956 -2.458
63 1HD1 ILE 7 1HD1 ILE 7 -6.027 -2.840 -2.659
64 2HD1 ILE 7 2HD1 ILE 7 -5.849 -4.304 -1.671
65 3HD1 ILE 7 3HD1 ILE 7 -5.147 -4.256 -3.294
66 H ARG 8 H ARG 8 -7.478 -6.381 -7.244
67 HA ARG 8 HA ARG 8 -9.675 -8.446 -7.130
68 1HB ARG 8 1HB ARG 8 -8.718 -6.854 -9.558
69 2HB ARG 8 2HB ARG 8 -10.162 -7.849 -9.476
70 1HG ARG 8 1HG ARG 8 -11.354 -6.329 -8.059
71 2HG ARG 8 2HG ARG 8 -9.941 -5.465 -7.531
72 1HD ARG 8 1HD ARG 8 -10.958 -5.414 -10.454
73 2HD ARG 8 2HD ARG 8 -11.408 -4.217 -9.227
74 HE ARG 8 HE ARG 8 -8.539 -4.242 -9.150
75 1HH1 ARG 8 1HH1 ARG 8 -10.905 -3.522 -11.592
76 2HH1 ARG 8 2HH1 ARG 8 -9.758 -2.417 -12.489
77 1HH2 ARG 8 1HH2 ARG 8 -7.251 -2.961 -10.177
78 2HH2 ARG 8 2HH2 ARG 8 -7.794 -2.145 -11.710
79 H LYS 9 H LYS 9 -6.457 -8.152 -8.615
80 HA LYS 9 HA LYS 9 -6.426 -10.944 -9.643
81 1HB LYS 9 1HB LYS 9 -4.054 -10.762 -9.956
82 2HB LYS 9 2HB LYS 9 -4.916 -9.465 -10.745
83 1HG LYS 9 1HG LYS 9 -3.880 -7.774 -9.496
84 2HG LYS 9 2HG LYS 9 -3.909 -8.680 -8.017
85 1HD LYS 9 1HD LYS 9 -1.652 -8.473 -8.416
86 2HD LYS 9 2HD LYS 9 -1.956 -10.133 -8.827
87 1HE LYS 9 1HE LYS 9 -1.742 -7.819 -10.911
88 2HE LYS 9 2HE LYS 9 -0.356 -8.737 -10.341
89 1HZ LYS 9 1HZ LYS 9 -1.426 -10.818 -11.205
90 2HZ LYS 9 2HZ LYS 9 -2.702 -9.964 -11.779
91 3HZ LYS 9 3HZ LYS 9 -1.207 -9.740 -12.424
92 H VAL 10 H VAL 10 -5.494 -9.465 -6.567
93 HA VAL 10 HA VAL 10 -4.759 -12.208 -5.393
94 HB VAL 10 HB VAL 10 -4.261 -9.411 -4.213
95 1HG1 VAL 10 1HG1 VAL 10 -3.328 -12.168 -3.146
96 2HG1 VAL 10 2HG1 VAL 10 -2.889 -10.580 -2.470
97 3HG1 VAL 10 3HG1 VAL 10 -4.564 -11.133 -2.397
98 1HG2 VAL 10 1HG2 VAL 10 -2.177 -11.398 -5.370
99 2HG2 VAL 10 2HG2 VAL 10 -2.651 -9.845 -6.103
100 3HG2 VAL 10 3HG2 VAL 10 -1.813 -9.859 -4.547
101 H ARG 11 H ARG 11 -7.072 -12.616 -5.773
102 HA ARG 11 HA ARG 11 -9.230 -11.178 -4.614
103 1HB ARG 11 1HB ARG 11 -8.933 -14.123 -5.485
104 2HB ARG 11 2HB ARG 11 -10.388 -13.622 -4.724
105 1HG ARG 11 1HG ARG 11 -11.272 -12.848 -6.580
106 2HG ARG 11 2HG ARG 11 -10.062 -11.588 -6.710
107 1HD ARG 11 1HD ARG 11 -8.552 -13.081 -8.024
108 2HD ARG 11 2HD ARG 11 -9.668 -14.458 -7.817
109 HE ARG 11 HE ARG 11 -11.271 -12.327 -8.921
110 1HH1 ARG 11 1HH1 ARG 11 -8.518 -14.144 -9.992
111 2HH1 ARG 11 2HH1 ARG 11 -8.952 -13.917 -11.757
112 1HH2 ARG 11 1HH2 ARG 11 -11.764 -12.114 -10.915
113 2HH2 ARG 11 2HH2 ARG 11 -10.716 -12.805 -12.233
114 1HN NH2 12 1HN NH2 12 -9.101 -11.957 -1.075
115 2HN NH2 12 2HN NH2 12 -8.904 -10.655 -2.351
116 1H2 DAO 13 1H2 DAO 13 -0.026 0.453 1.794
117 2H2 DAO 13 2H2 DAO 13 -1.464 0.642 0.808
118 1H3 DAO 13 1H3 DAO 13 -1.897 -0.911 2.690
119 2H3 DAO 13 2H3 DAO 13 -2.105 -1.705 1.151
120 1H4 DAO 13 1H4 DAO 13 -0.554 -3.259 1.529
121 2H4 DAO 13 2H4 DAO 13 0.677 -2.141 2.062
122 1H5 DAO 13 1H5 DAO 13 -0.368 -4.064 3.627
123 2H5 DAO 13 2H5 DAO 13 -1.589 -2.880 4.020
124 1H6 DAO 13 1H6 DAO 13 0.475 -3.075 5.570
125 2H6 DAO 13 2H6 DAO 13 1.474 -2.421 4.288
126 1H7 DAO 13 1H7 DAO 13 -0.045 -0.305 4.335
127 2H7 DAO 13 2H7 DAO 13 -0.846 -0.975 5.747
128 1H8 DAO 13 1H8 DAO 13 2.159 -0.267 5.515
129 2H8 DAO 13 2H8 DAO 13 0.933 0.715 6.297
130 1H9 DAO 13 1H9 DAO 13 1.764 -2.107 7.221
131 2H9 DAO 13 2H9 DAO 13 0.536 -1.136 8.015
132 1H10 DAO 13 1H10 DAO 13 2.902 -1.181 9.052
133 2H10 DAO 13 2H10 DAO 13 3.491 -0.256 7.681
134 1H11 DAO 13 1H11 DAO 13 1.885 1.637 8.296
135 2H11 DAO 13 2H11 DAO 13 1.278 0.675 9.645
136 1H12 DAO 13 1H12 DAO 13 2.994 2.316 10.451
137 2H12 DAO 13 2H12 DAO 13 3.606 0.664 10.692
138 3H12 DAO 13 3H12 DAO 13 4.209 1.650 9.334
Start of MODEL 4
1 1H PHE 1 1H PHE 1 2.313 0.191 0.311
2 HA PHE 1 HA PHE 1 2.029 0.910 -2.522
3 1HB PHE 1 1HB PHE 1 4.495 0.661 -2.476
4 2HB PHE 1 2HB PHE 1 3.857 1.821 -1.351
5 HD1 PHE 1 HD1 PHE 1 5.510 -1.541 -1.561
6 HD2 PHE 1 HD2 PHE 1 4.282 1.658 1.041
7 HE1 PHE 1 HE1 PHE 1 6.855 -2.498 0.270
8 HE2 PHE 1 HE2 PHE 1 5.632 0.692 2.855
9 HZ PHE 1 HZ PHE 1 6.917 -1.385 2.478
10 H GLN 2 H GLN 2 2.080 -2.095 -0.784
11 HA GLN 2 HA GLN 2 3.290 -3.837 -2.886
12 1HB GLN 2 1HB GLN 2 2.537 -5.650 -1.317
13 2HB GLN 2 2HB GLN 2 3.723 -4.535 -0.690
14 1HG GLN 2 1HG GLN 2 2.009 -3.354 0.692
15 2HG GLN 2 2HG GLN 2 0.716 -4.287 -0.023
16 1HE2 GLN 2 1HE2 GLN 2 3.518 -4.481 2.151
17 2HE2 GLN 2 2HE2 GLN 2 2.902 -6.016 2.963
18 H TRP 3 H TRP 3 0.030 -2.864 -1.997
19 HA TRP 3 HA TRP 3 -0.917 -3.918 -4.627
20 1HB TRP 3 1HB TRP 3 -2.864 -5.240 -3.561
21 2HB TRP 3 2HB TRP 3 -1.265 -5.924 -3.602
22 HD1 TRP 3 HD1 TRP 3 -0.641 -7.165 -1.600
23 HE1 TRP 3 HE1 TRP 3 -1.264 -7.365 0.987
24 HE3 TRP 3 HE3 TRP 3 -3.399 -2.949 -1.366
25 HZ2 TRP 3 HZ2 TRP 3 -3.086 -5.908 2.630
26 HZ3 TRP 3 HZ3 TRP 3 -4.503 -2.336 0.684
27 HH2 TRP 3 HH2 TRP 3 -4.366 -3.793 2.697
28 H GLN 4 H GLN 4 -1.062 -1.327 -2.807
29 HA GLN 4 HA GLN 4 -3.428 -0.101 -2.661
30 1HB GLN 4 1HB GLN 4 -2.416 2.005 -3.604
31 2HB GLN 4 2HB GLN 4 -1.455 1.181 -2.417
32 1HG GLN 4 1HG GLN 4 0.281 0.636 -3.877
33 2HG GLN 4 2HG GLN 4 -0.739 0.364 -5.244
34 1HE2 GLN 4 1HE2 GLN 4 -0.589 1.813 -6.783
35 2HE2 GLN 4 2HE2 GLN 4 0.079 3.508 -6.574
36 H ARG 5 H ARG 5 -2.404 -0.900 -5.923
37 HA ARG 5 HA ARG 5 -5.315 -0.593 -6.767
38 1HB ARG 5 1HB ARG 5 -3.491 1.319 -7.618
39 2HB ARG 5 2HB ARG 5 -3.211 0.160 -8.852
40 1HG ARG 5 1HG ARG 5 -5.673 1.828 -8.133
41 2HG ARG 5 2HG ARG 5 -4.806 1.788 -9.642
42 1HD ARG 5 1HD ARG 5 -6.926 -0.200 -8.634
43 2HD ARG 5 2HD ARG 5 -7.040 0.939 -9.984
44 HE ARG 5 HE ARG 5 -4.877 -1.185 -10.125
45 1HH1 ARG 5 1HH1 ARG 5 -8.143 -0.487 -11.064
46 2HH1 ARG 5 2HH1 ARG 5 -8.230 -1.997 -12.097
47 1HH2 ARG 5 1HH2 ARG 5 -4.965 -2.793 -11.319
48 2HH2 ARG 5 2HH2 ARG 5 -6.477 -3.240 -12.239
49 H ASN 6 H ASN 6 -4.109 -2.903 -5.824
50 HA ASN 6 HA ASN 6 -4.745 -4.825 -8.096
51 1HB ASN 6 1HB ASN 6 -1.962 -4.607 -6.769
52 2HB ASN 6 2HB ASN 6 -2.509 -6.133 -7.388
53 1HD2 ASN 6 1HD2 ASN 6 -0.676 -3.632 -8.325
54 2HD2 ASN 6 2HD2 ASN 6 -0.892 -3.873 -10.136
55 H ILE 7 H ILE 7 -6.521 -4.697 -6.190
56 HA ILE 7 HA ILE 7 -6.006 -7.228 -4.549
57 HB ILE 7 HB ILE 7 -8.483 -6.043 -3.623
58 1HG1 ILE 7 1HG1 ILE 7 -7.466 -3.809 -4.262
59 2HG1 ILE 7 2HG1 ILE 7 -8.104 -4.044 -2.660
60 1HG2 ILE 7 1HG2 ILE 7 -5.839 -6.630 -2.171
61 2HG2 ILE 7 2HG2 ILE 7 -7.408 -6.339 -1.394
62 3HG2 ILE 7 3HG2 ILE 7 -7.169 -7.776 -2.423
63 1HD1 ILE 7 1HD1 ILE 7 -5.886 -4.147 -1.636
64 2HD1 ILE 7 2HD1 ILE 7 -5.082 -4.315 -3.200
65 3HD1 ILE 7 3HD1 ILE 7 -5.841 -2.763 -2.752
66 H ARG 8 H ARG 8 -7.808 -6.318 -7.230
67 HA ARG 8 HA ARG 8 -9.824 -8.547 -6.966
68 1HB ARG 8 1HB ARG 8 -9.119 -6.840 -9.418
69 2HB ARG 8 2HB ARG 8 -10.326 -8.119 -9.393
70 1HG ARG 8 1HG ARG 8 -11.658 -6.895 -7.634
71 2HG ARG 8 2HG ARG 8 -10.486 -5.579 -7.645
72 1HD ARG 8 1HD ARG 8 -10.936 -5.147 -10.096
73 2HD ARG 8 2HD ARG 8 -12.080 -6.508 -10.142
74 HE ARG 8 HE ARG 8 -12.969 -4.749 -8.006
75 1HH1 ARG 8 1HH1 ARG 8 -12.712 -4.648 -11.478
76 2HH1 ARG 8 2HH1 ARG 8 -14.099 -3.464 -11.624
77 1HH2 ARG 8 1HH2 ARG 8 -14.552 -3.406 -8.213
78 2HH2 ARG 8 2HH2 ARG 8 -15.075 -2.812 -9.850
79 H LYS 9 H LYS 9 -6.676 -8.071 -8.565
80 HA LYS 9 HA LYS 9 -6.571 -10.893 -9.520
81 1HB LYS 9 1HB LYS 9 -4.283 -10.575 -10.156
82 2HB LYS 9 2HB LYS 9 -5.312 -9.355 -10.851
83 1HG LYS 9 1HG LYS 9 -4.280 -7.558 -9.694
84 2HG LYS 9 2HG LYS 9 -3.907 -8.511 -8.285
85 1HD LYS 9 1HD LYS 9 -1.814 -8.020 -9.244
86 2HD LYS 9 2HD LYS 9 -2.085 -9.737 -9.503
87 1HE LYS 9 1HE LYS 9 -2.843 -9.176 -11.936
88 2HE LYS 9 2HE LYS 9 -2.467 -7.478 -11.612
89 1HZ LYS 9 1HZ LYS 9 -0.498 -8.630 -12.624
90 2HZ LYS 9 2HZ LYS 9 -0.113 -8.183 -11.089
91 3HZ LYS 9 3HZ LYS 9 -0.469 -9.746 -11.419
92 H VAL 10 H VAL 10 -5.269 -9.247 -6.634
93 HA VAL 10 HA VAL 10 -4.352 -11.943 -5.480
94 HB VAL 10 HB VAL 10 -3.908 -9.114 -4.377
95 1HG1 VAL 10 1HG1 VAL 10 -2.790 -11.804 -3.303
96 2HG1 VAL 10 2HG1 VAL 10 -2.381 -10.178 -2.702
97 3HG1 VAL 10 3HG1 VAL 10 -4.021 -10.798 -2.503
98 1HG2 VAL 10 1HG2 VAL 10 -1.832 -11.065 -5.617
99 2HG2 VAL 10 2HG2 VAL 10 -2.417 -9.563 -6.372
100 3HG2 VAL 10 3HG2 VAL 10 -1.474 -9.482 -4.879
101 H ARG 11 H ARG 11 -6.588 -12.446 -5.745
102 HA ARG 11 HA ARG 11 -8.698 -10.919 -4.542
103 1HB ARG 11 1HB ARG 11 -8.673 -12.370 -6.665
104 2HB ARG 11 2HB ARG 11 -8.973 -13.771 -5.661
105 1HG ARG 11 1HG ARG 11 -11.143 -12.747 -4.862
106 2HG ARG 11 2HG ARG 11 -10.778 -11.252 -5.731
107 1HD ARG 11 1HD ARG 11 -10.787 -12.494 -7.930
108 2HD ARG 11 2HD ARG 11 -11.186 -14.010 -7.082
109 HE ARG 11 HE ARG 11 -13.181 -12.129 -6.209
110 1HH1 ARG 11 1HH1 ARG 11 -12.255 -13.508 -9.262
111 2HH1 ARG 11 2HH1 ARG 11 -13.931 -13.286 -9.963
112 1HH2 ARG 11 1HH2 ARG 11 -15.073 -11.890 -7.028
113 2HH2 ARG 11 2HH2 ARG 11 -15.439 -12.408 -8.733
114 1HN NH2 12 1HN NH2 12 -8.579 -13.968 -1.780
115 2HN NH2 12 2HN NH2 12 -7.491 -14.105 -3.259
116 1H2 DAO 13 1H2 DAO 13 -0.183 0.788 1.474
117 2H2 DAO 13 2H2 DAO 13 -1.667 0.578 0.561
118 1H3 DAO 13 1H3 DAO 13 -1.718 -0.696 2.723
119 2H3 DAO 13 2H3 DAO 13 -1.922 -1.749 1.343
120 1H4 DAO 13 1H4 DAO 13 -0.011 -2.900 1.654
121 2H4 DAO 13 2H4 DAO 13 0.945 -1.510 2.112
122 1H5 DAO 13 1H5 DAO 13 -0.401 -1.663 4.449
123 2H5 DAO 13 2H5 DAO 13 1.052 -2.578 4.098
124 1H6 DAO 13 1H6 DAO 13 -1.813 -3.683 3.859
125 2H6 DAO 13 2H6 DAO 13 -0.374 -4.558 3.331
126 1H7 DAO 13 1H7 DAO 13 0.583 -4.279 5.724
127 2H7 DAO 13 2H7 DAO 13 -0.977 -3.614 6.210
128 1H8 DAO 13 1H8 DAO 13 -2.099 -5.792 5.473
129 2H8 DAO 13 2H8 DAO 13 -0.523 -6.424 4.989
130 1H9 DAO 13 1H9 DAO 13 -1.310 -5.574 7.856
131 2H9 DAO 13 2H9 DAO 13 0.304 -6.120 7.401
132 1H10 DAO 13 1H10 DAO 13 -2.255 -7.836 7.075
133 2H10 DAO 13 2H10 DAO 13 -0.623 -8.337 6.660
134 1H11 DAO 13 1H11 DAO 13 -1.042 -9.325 8.786
135 2H11 DAO 13 2H11 DAO 13 0.072 -8.009 9.117
136 1H12 DAO 13 1H12 DAO 13 -3.008 -7.904 9.551
137 2H12 DAO 13 2H12 DAO 13 -1.785 -8.109 10.827
138 3H12 DAO 13 3H12 DAO 13 -1.885 -6.575 9.936
Start of MODEL 5
1 1H PHE 1 1H PHE 1 2.344 0.117 0.283
2 HA PHE 1 HA PHE 1 2.102 0.904 -2.535
3 1HB PHE 1 1HB PHE 1 4.591 0.613 -2.428
4 2HB PHE 1 2HB PHE 1 3.904 1.784 -1.346
5 HD1 PHE 1 HD1 PHE 1 5.436 -1.665 -1.380
6 HD2 PHE 1 HD2 PHE 1 4.318 1.722 1.027
7 HE1 PHE 1 HE1 PHE 1 6.649 -2.616 0.545
8 HE2 PHE 1 HE2 PHE 1 5.541 0.764 2.932
9 HZ PHE 1 HZ PHE 1 6.698 -1.406 2.702
10 H GLN 2 H GLN 2 2.078 -2.165 -0.922
11 HA GLN 2 HA GLN 2 3.296 -3.796 -3.120
12 1HB GLN 2 1HB GLN 2 2.572 -5.701 -1.620
13 2HB GLN 2 2HB GLN 2 3.816 -4.641 -1.015
14 1HG GLN 2 1HG GLN 2 2.235 -3.515 0.541
15 2HG GLN 2 2HG GLN 2 0.865 -4.371 -0.131
16 1HE2 GLN 2 1HE2 GLN 2 3.866 -4.811 1.744
17 2HE2 GLN 2 2HE2 GLN 2 3.255 -6.358 2.537
18 H TRP 3 H TRP 3 0.041 -2.911 -2.089
19 HA TRP 3 HA TRP 3 -0.960 -3.844 -4.739
20 1HB TRP 3 1HB TRP 3 -2.852 -5.283 -3.736
21 2HB TRP 3 2HB TRP 3 -1.235 -5.921 -3.845
22 HD1 TRP 3 HD1 TRP 3 -0.484 -7.239 -1.914
23 HE1 TRP 3 HE1 TRP 3 -0.908 -7.482 0.696
24 HE3 TRP 3 HE3 TRP 3 -3.515 -3.223 -1.451
25 HZ2 TRP 3 HZ2 TRP 3 -2.674 -6.153 2.492
26 HZ3 TRP 3 HZ3 TRP 3 -4.402 -2.637 0.713
27 HH2 TRP 3 HH2 TRP 3 -4.030 -4.094 2.695
28 H GLN 4 H GLN 4 -1.085 -1.339 -2.826
29 HA GLN 4 HA GLN 4 -3.506 -0.194 -2.552
30 1HB GLN 4 1HB GLN 4 -2.549 1.976 -3.430
31 2HB GLN 4 2HB GLN 4 -1.589 1.136 -2.256
32 1HG GLN 4 1HG GLN 4 0.191 0.717 -3.681
33 2HG GLN 4 2HG GLN 4 -0.784 0.401 -5.072
34 1HE2 GLN 4 1HE2 GLN 4 -0.811 1.900 -6.587
35 2HE2 GLN 4 2HE2 GLN 4 -0.158 3.602 -6.372
36 H ARG 5 H ARG 5 -2.488 -0.790 -5.866
37 HA ARG 5 HA ARG 5 -5.426 -0.570 -6.645
38 1HB ARG 5 1HB ARG 5 -3.712 1.448 -7.461
39 2HB ARG 5 2HB ARG 5 -3.394 0.338 -8.735
40 1HG ARG 5 1HG ARG 5 -5.907 1.886 -7.962
41 2HG ARG 5 2HG ARG 5 -5.070 1.882 -9.487
42 1HD ARG 5 1HD ARG 5 -7.095 -0.185 -8.439
43 2HD ARG 5 2HD ARG 5 -7.280 0.946 -9.788
44 HE ARG 5 HE ARG 5 -5.022 -1.050 -10.026
45 1HH1 ARG 5 1HH1 ARG 5 -8.396 -0.636 -10.723
46 2HH1 ARG 5 2HH1 ARG 5 -8.445 -2.190 -11.691
47 1HH2 ARG 5 1HH2 ARG 5 -5.078 -2.714 -11.144
48 2HH2 ARG 5 2HH2 ARG 5 -6.615 -3.301 -11.932
49 H ASN 6 H ASN 6 -4.195 -2.867 -5.822
50 HA ASN 6 HA ASN 6 -4.699 -4.703 -8.192
51 1HB ASN 6 1HB ASN 6 -1.947 -4.256 -6.888
52 2HB ASN 6 2HB ASN 6 -2.322 -5.865 -7.406
53 1HD2 ASN 6 1HD2 ASN 6 -0.602 -3.474 -8.527
54 2HD2 ASN 6 2HD2 ASN 6 -0.932 -3.748 -10.317
55 H ILE 7 H ILE 7 -6.360 -4.570 -5.945
56 HA ILE 7 HA ILE 7 -5.787 -7.213 -4.557
57 HB ILE 7 HB ILE 7 -8.325 -6.253 -3.582
58 1HG1 ILE 7 1HG1 ILE 7 -7.487 -3.919 -4.144
59 2HG1 ILE 7 2HG1 ILE 7 -8.100 -4.260 -2.550
60 1HG2 ILE 7 1HG2 ILE 7 -5.631 -6.691 -2.168
61 2HG2 ILE 7 2HG2 ILE 7 -7.209 -6.547 -1.370
62 3HG2 ILE 7 3HG2 ILE 7 -6.876 -7.922 -2.456
63 1HD1 ILE 7 1HD1 ILE 7 -5.906 -2.824 -2.610
64 2HD1 ILE 7 2HD1 ILE 7 -5.895 -4.235 -1.527
65 3HD1 ILE 7 3HD1 ILE 7 -5.067 -4.329 -3.083
66 H ARG 8 H ARG 8 -7.628 -6.248 -7.231
67 HA ARG 8 HA ARG 8 -9.505 -8.599 -7.003
68 1HB ARG 8 1HB ARG 8 -9.264 -6.623 -9.305
69 2HB ARG 8 2HB ARG 8 -10.287 -8.060 -9.297
70 1HG ARG 8 1HG ARG 8 -11.343 -7.227 -7.088
71 2HG ARG 8 2HG ARG 8 -10.513 -5.698 -7.326
72 1HD ARG 8 1HD ARG 8 -11.753 -5.248 -9.420
73 2HD ARG 8 2HD ARG 8 -12.420 -6.866 -9.487
74 HE ARG 8 HE ARG 8 -13.082 -4.733 -7.376
75 1HH1 ARG 8 1HH1 ARG 8 -13.813 -7.909 -8.570
76 2HH1 ARG 8 2HH1 ARG 8 -15.330 -8.024 -7.553
77 1HH2 ARG 8 1HH2 ARG 8 -14.885 -4.835 -6.345
78 2HH2 ARG 8 2HH2 ARG 8 -15.879 -6.359 -6.349
79 H LYS 9 H LYS 9 -6.356 -8.044 -8.334
80 HA LYS 9 HA LYS 9 -6.252 -10.792 -9.534
81 1HB LYS 9 1HB LYS 9 -3.854 -10.592 -9.734
82 2HB LYS 9 2HB LYS 9 -4.705 -9.325 -10.571
83 1HG LYS 9 1HG LYS 9 -4.022 -7.605 -9.038
84 2HG LYS 9 2HG LYS 9 -3.547 -8.713 -7.775
85 1HD LYS 9 1HD LYS 9 -2.113 -8.608 -10.514
86 2HD LYS 9 2HD LYS 9 -1.685 -7.554 -9.179
87 1HE LYS 9 1HE LYS 9 -1.186 -9.543 -7.685
88 2HE LYS 9 2HE LYS 9 -1.620 -10.655 -8.982
89 1HZ LYS 9 1HZ LYS 9 0.208 -9.675 -10.367
90 2HZ LYS 9 2HZ LYS 9 0.596 -8.605 -9.189
91 3HZ LYS 9 3HZ LYS 9 0.840 -10.212 -8.948
92 H VAL 10 H VAL 10 -5.459 -9.366 -6.359
93 HA VAL 10 HA VAL 10 -4.792 -12.157 -5.266
94 HB VAL 10 HB VAL 10 -4.509 -9.468 -3.821
95 1HG1 VAL 10 1HG1 VAL 10 -3.158 -10.786 -2.132
96 2HG1 VAL 10 2HG1 VAL 10 -4.818 -11.376 -2.212
97 3HG1 VAL 10 3HG1 VAL 10 -3.518 -12.293 -3.005
98 1HG2 VAL 10 1HG2 VAL 10 -2.016 -9.778 -4.030
99 2HG2 VAL 10 2HG2 VAL 10 -2.265 -11.208 -5.067
100 3HG2 VAL 10 3HG2 VAL 10 -2.767 -9.589 -5.617
101 H ARG 11 H ARG 11 -7.076 -12.497 -5.950
102 HA ARG 11 HA ARG 11 -9.289 -11.246 -4.613
103 1HB ARG 11 1HB ARG 11 -8.945 -13.535 -6.532
104 2HB ARG 11 2HB ARG 11 -10.334 -13.762 -5.516
105 1HG ARG 11 1HG ARG 11 -11.361 -11.637 -6.164
106 2HG ARG 11 2HG ARG 11 -9.887 -11.085 -6.922
107 1HD ARG 11 1HD ARG 11 -11.318 -11.675 -8.714
108 2HD ARG 11 2HD ARG 11 -10.069 -12.875 -8.711
109 HE ARG 11 HE ARG 11 -13.000 -13.245 -7.831
110 1HH1 ARG 11 1HH1 ARG 11 -9.966 -14.829 -8.431
111 2HH1 ARG 11 2HH1 ARG 11 -10.763 -16.472 -8.543
112 1HH2 ARG 11 1HH2 ARG 11 -13.873 -15.111 -7.982
113 2HH2 ARG 11 2HH2 ARG 11 -12.872 -16.597 -8.290
114 1HN NH2 12 1HN NH2 12 -8.871 -14.342 -1.973
115 2HN NH2 12 2HN NH2 12 -7.788 -14.331 -3.461
116 1H2 DAO 13 1H2 DAO 13 0.158 0.375 1.654
117 2H2 DAO 13 2H2 DAO 13 -1.276 0.699 0.692
118 1H3 DAO 13 1H3 DAO 13 -1.907 -1.006 2.327
119 2H3 DAO 13 2H3 DAO 13 -1.885 -1.734 0.743
120 1H4 DAO 13 1H4 DAO 13 -0.635 -3.400 1.608
121 2H4 DAO 13 2H4 DAO 13 0.729 -2.316 1.571
122 1H5 DAO 13 1H5 DAO 13 0.479 -3.499 3.750
123 2H5 DAO 13 2H5 DAO 13 -1.126 -2.835 3.966
124 1H6 DAO 13 1H6 DAO 13 -0.174 -0.512 4.155
125 2H6 DAO 13 2H6 DAO 13 0.394 -1.616 5.392
126 1H7 DAO 13 1H7 DAO 13 2.589 -1.935 4.110
127 2H7 DAO 13 2H7 DAO 13 2.002 -0.832 2.876
128 1H8 DAO 13 1H8 DAO 13 3.328 0.589 4.191
129 2H8 DAO 13 2H8 DAO 13 1.707 0.966 4.739
130 1H9 DAO 13 1H9 DAO 13 3.858 -0.742 6.158
131 2H9 DAO 13 2H9 DAO 13 2.184 -0.829 6.664
132 1H10 DAO 13 1H10 DAO 13 2.101 1.571 7.201
133 2H10 DAO 13 2H10 DAO 13 3.339 0.741 8.115
134 1H11 DAO 13 1H11 DAO 13 3.866 2.521 5.641
135 2H11 DAO 13 2H11 DAO 13 4.017 3.028 7.313
136 1H12 DAO 13 1H12 DAO 13 5.753 0.835 5.982
137 2H12 DAO 13 2H12 DAO 13 6.269 2.483 6.408
138 3H12 DAO 13 3H12 DAO 13 5.869 1.321 7.695
Start of MODEL 6
1 1H PHE 1 1H PHE 1 1.692 -0.114 0.918
2 HA PHE 1 HA PHE 1 2.305 1.153 -1.718
3 1HB PHE 1 1HB PHE 1 4.458 -0.277 -0.126
4 2HB PHE 1 2HB PHE 1 4.560 1.091 -1.162
5 HD1 PHE 1 HD1 PHE 1 4.424 -0.101 2.239
6 HD2 PHE 1 HD2 PHE 1 3.669 3.428 -0.100
7 HE1 PHE 1 HE1 PHE 1 4.474 1.266 4.280
8 HE2 PHE 1 HE2 PHE 1 3.722 4.788 1.961
9 HZ PHE 1 HZ PHE 1 4.115 3.707 4.150
10 H GLN 2 H GLN 2 1.917 -1.929 -0.187
11 HA GLN 2 HA GLN 2 3.327 -3.642 -2.164
12 1HB GLN 2 1HB GLN 2 2.283 -5.469 -0.767
13 2HB GLN 2 2HB GLN 2 3.396 -4.427 0.073
14 1HG GLN 2 1HG GLN 2 1.562 -3.224 1.223
15 2HG GLN 2 2HG GLN 2 0.335 -4.063 0.289
16 1HE2 GLN 2 1HE2 GLN 2 0.929 -3.926 3.242
17 2HE2 GLN 2 2HE2 GLN 2 0.946 -5.710 3.704
18 H TRP 3 H TRP 3 0.036 -2.448 -1.810
19 HA TRP 3 HA TRP 3 -0.631 -3.654 -4.444
20 1HB TRP 3 1HB TRP 3 -2.639 -5.012 -3.531
21 2HB TRP 3 2HB TRP 3 -1.029 -5.642 -3.402
22 HD1 TRP 3 HD1 TRP 3 -0.652 -6.918 -1.309
23 HE1 TRP 3 HE1 TRP 3 -1.533 -7.047 1.193
24 HE3 TRP 3 HE3 TRP 3 -3.572 -2.768 -1.535
25 HZ2 TRP 3 HZ2 TRP 3 -3.419 -5.476 2.652
26 HZ3 TRP 3 HZ3 TRP 3 -4.863 -2.102 0.404
27 HH2 TRP 3 HH2 TRP 3 -4.806 -3.427 2.507
28 H GLN 4 H GLN 4 -0.910 -0.879 -3.164
29 HA GLN 4 HA GLN 4 -3.490 -0.036 -3.059
30 1HB GLN 4 1HB GLN 4 -2.865 2.111 -3.361
31 2HB GLN 4 2HB GLN 4 -1.340 1.403 -2.975
32 1HG GLN 4 1HG GLN 4 -2.303 2.300 -5.783
33 2HG GLN 4 2HG GLN 4 -1.277 3.200 -4.710
34 1HE2 GLN 4 1HE2 GLN 4 -0.772 -0.226 -5.451
35 2HE2 GLN 4 2HE2 GLN 4 0.661 0.128 -6.537
36 H ARG 5 H ARG 5 -2.375 -1.102 -6.094
37 HA ARG 5 HA ARG 5 -5.177 -0.840 -7.268
38 1HB ARG 5 1HB ARG 5 -2.446 -0.123 -8.542
39 2HB ARG 5 2HB ARG 5 -3.712 -0.629 -9.560
40 1HG ARG 5 1HG ARG 5 -3.778 1.865 -7.733
41 2HG ARG 5 2HG ARG 5 -3.521 1.826 -9.453
42 1HD ARG 5 1HD ARG 5 -5.757 2.516 -9.344
43 2HD ARG 5 2HD ARG 5 -5.904 0.791 -9.717
44 HE ARG 5 HE ARG 5 -5.896 1.287 -6.765
45 1HH1 ARG 5 1HH1 ARG 5 -8.013 1.297 -9.529
46 2HH1 ARG 5 2HH1 ARG 5 -9.464 0.845 -8.511
47 1HH2 ARG 5 1HH2 ARG 5 -7.538 0.830 -5.647
48 2HH2 ARG 5 2HH2 ARG 5 -9.189 0.612 -6.394
49 H ASN 6 H ASN 6 -3.773 -3.121 -5.863
50 HA ASN 6 HA ASN 6 -4.499 -5.246 -7.960
51 1HB ASN 6 1HB ASN 6 -1.786 -5.094 -6.489
52 2HB ASN 6 2HB ASN 6 -2.357 -6.511 -7.332
53 1HD2 ASN 6 1HD2 ASN 6 -0.303 -4.029 -7.805
54 2HD2 ASN 6 2HD2 ASN 6 -0.439 -3.985 -9.640
55 H ILE 7 H ILE 7 -6.344 -5.101 -6.292
56 HA ILE 7 HA ILE 7 -5.830 -7.307 -4.235
57 HB ILE 7 HB ILE 7 -8.380 -6.069 -3.579
58 1HG1 ILE 7 1HG1 ILE 7 -7.427 -3.929 -4.475
59 2HG1 ILE 7 2HG1 ILE 7 -8.026 -3.944 -2.829
60 1HG2 ILE 7 1HG2 ILE 7 -7.399 -6.048 -1.289
61 2HG2 ILE 7 2HG2 ILE 7 -7.100 -7.603 -2.109
62 3HG2 ILE 7 3HG2 ILE 7 -5.794 -6.413 -1.958
63 1HD1 ILE 7 1HD1 ILE 7 -5.788 -2.674 -3.130
64 2HD1 ILE 7 2HD1 ILE 7 -5.806 -3.928 -1.868
65 3HD1 ILE 7 3HD1 ILE 7 -5.017 -4.262 -3.414
66 H ARG 8 H ARG 8 -8.214 -6.368 -6.697
67 HA ARG 8 HA ARG 8 -9.749 -8.923 -6.244
68 1HB ARG 8 1HB ARG 8 -10.129 -6.747 -8.375
69 2HB ARG 8 2HB ARG 8 -11.065 -8.235 -8.285
70 1HG ARG 8 1HG ARG 8 -11.840 -7.651 -5.951
71 2HG ARG 8 2HG ARG 8 -10.982 -6.114 -6.039
72 1HD ARG 8 1HD ARG 8 -12.402 -5.350 -7.952
73 2HD ARG 8 2HD ARG 8 -13.173 -6.952 -8.054
74 HE ARG 8 HE ARG 8 -13.456 -5.860 -5.312
75 1HH1 ARG 8 1HH1 ARG 8 -14.824 -5.496 -8.489
76 2HH1 ARG 8 2HH1 ARG 8 -16.474 -5.086 -7.812
77 1HH2 ARG 8 1HH2 ARG 8 -15.341 -5.405 -4.576
78 2HH2 ARG 8 2HH2 ARG 8 -16.726 -5.041 -5.697
79 H LYS 9 H LYS 9 -7.245 -7.798 -8.481
80 HA LYS 9 HA LYS 9 -7.103 -10.471 -9.797
81 1HB LYS 9 1HB LYS 9 -5.305 -9.772 -11.053
82 2HB LYS 9 2HB LYS 9 -6.338 -8.397 -10.981
83 1HG LYS 9 1HG LYS 9 -4.683 -7.055 -10.152
84 2HG LYS 9 2HG LYS 9 -4.382 -8.076 -8.781
85 1HD LYS 9 1HD LYS 9 -3.176 -8.445 -11.606
86 2HD LYS 9 2HD LYS 9 -2.375 -7.704 -10.233
87 1HE LYS 9 1HE LYS 9 -2.561 -9.936 -8.943
88 2HE LYS 9 2HE LYS 9 -3.242 -10.684 -10.377
89 1HZ LYS 9 1HZ LYS 9 -0.526 -9.356 -10.270
90 2HZ LYS 9 2HZ LYS 9 -0.775 -10.980 -10.342
91 3HZ LYS 9 3HZ LYS 9 -1.162 -10.022 -11.622
92 H VAL 10 H VAL 10 -5.837 -9.235 -6.806
93 HA VAL 10 HA VAL 10 -4.212 -11.815 -6.360
94 HB VAL 10 HB VAL 10 -4.092 -9.242 -4.674
95 1HG1 VAL 10 1HG1 VAL 10 -2.097 -10.335 -3.564
96 2HG1 VAL 10 2HG1 VAL 10 -3.551 -11.303 -3.322
97 3HG1 VAL 10 3HG1 VAL 10 -2.348 -11.810 -4.527
98 1HG2 VAL 10 1HG2 VAL 10 -1.923 -10.299 -6.620
99 2HG2 VAL 10 2HG2 VAL 10 -2.908 -8.825 -6.846
100 3HG2 VAL 10 3HG2 VAL 10 -1.760 -8.913 -5.510
101 H ARG 11 H ARG 11 -6.565 -12.548 -6.505
102 HA ARG 11 HA ARG 11 -8.439 -11.624 -4.498
103 1HB ARG 11 1HB ARG 11 -8.784 -12.593 -6.956
104 2HB ARG 11 2HB ARG 11 -9.028 -14.124 -6.172
105 1HG ARG 11 1HG ARG 11 -10.566 -11.524 -5.469
106 2HG ARG 11 2HG ARG 11 -11.091 -12.581 -6.741
107 1HD ARG 11 1HD ARG 11 -10.836 -13.522 -3.797
108 2HD ARG 11 2HD ARG 11 -12.291 -12.789 -4.473
109 HE ARG 11 HE ARG 11 -11.572 -14.962 -6.262
110 1HH1 ARG 11 1HH1 ARG 11 -12.674 -14.609 -2.982
111 2HH1 ARG 11 2HH1 ARG 11 -13.611 -16.179 -3.043
112 1HH2 ARG 11 1HH2 ARG 11 -12.657 -16.737 -6.304
113 2HH2 ARG 11 2HH2 ARG 11 -13.584 -17.312 -4.848
114 1HN NH2 12 1HN NH2 12 -7.430 -15.245 -2.838
115 2HN NH2 12 2HN NH2 12 -6.834 -14.890 -4.540
116 1H2 DAO 13 1H2 DAO 13 -0.643 1.249 1.487
117 2H2 DAO 13 2H2 DAO 13 -1.805 1.320 0.172
118 1H3 DAO 13 1H3 DAO 13 -2.745 -0.227 1.790
119 2H3 DAO 13 2H3 DAO 13 -2.246 -1.138 0.393
120 1H4 DAO 13 1H4 DAO 13 -1.269 -2.568 1.832
121 2H4 DAO 13 2H4 DAO 13 0.067 -1.451 1.926
122 1H5 DAO 13 1H5 DAO 13 -0.923 -2.355 4.139
123 2H5 DAO 13 2H5 DAO 13 -2.362 -1.399 3.848
124 1H6 DAO 13 1H6 DAO 13 0.516 -0.296 4.164
125 2H6 DAO 13 2H6 DAO 13 -0.890 0.718 3.840
126 1H7 DAO 13 1H7 DAO 13 -1.975 -0.005 5.966
127 2H7 DAO 13 2H7 DAO 13 -0.671 -1.119 6.324
128 1H8 DAO 13 1H8 DAO 13 -0.292 1.934 6.022
129 2H8 DAO 13 2H8 DAO 13 -0.651 1.166 7.550
130 1H9 DAO 13 1H9 DAO 13 1.797 1.735 7.162
131 2H9 DAO 13 2H9 DAO 13 1.877 0.536 5.884
132 1H10 DAO 13 1H10 DAO 13 1.144 -0.060 8.836
133 2H10 DAO 13 2H10 DAO 13 1.273 -1.282 7.572
134 1H11 DAO 13 1H11 DAO 13 3.719 -0.701 7.242
135 2H11 DAO 13 2H11 DAO 13 3.599 0.538 8.494
136 1H12 DAO 13 1H12 DAO 13 4.563 -1.579 9.441
137 2H12 DAO 13 2H12 DAO 13 2.998 -1.240 10.215
138 3H12 DAO 13 3H12 DAO 13 3.118 -2.495 8.954
Start of MODEL 7
1 1H PHE 1 1H PHE 1 2.242 0.252 0.356
2 HA PHE 1 HA PHE 1 2.133 0.934 -2.514
3 1HB PHE 1 1HB PHE 1 4.585 0.706 -2.319
4 2HB PHE 1 2HB PHE 1 3.895 1.878 -1.237
5 HD1 PHE 1 HD1 PHE 1 4.095 1.659 1.211
6 HD2 PHE 1 HD2 PHE 1 5.577 -1.462 -1.350
7 HE1 PHE 1 HE1 PHE 1 5.372 0.717 3.089
8 HE2 PHE 1 HE2 PHE 1 6.855 -2.393 0.542
9 HZ PHE 1 HZ PHE 1 6.753 -1.307 2.762
10 H GLN 2 H GLN 2 1.999 -2.004 -0.696
11 HA GLN 2 HA GLN 2 3.289 -3.829 -2.687
12 1HB GLN 2 1HB GLN 2 2.416 -5.593 -1.104
13 2HB GLN 2 2HB GLN 2 3.646 -4.521 -0.487
14 1HG GLN 2 1HG GLN 2 2.031 -3.255 0.870
15 2HG GLN 2 2HG GLN 2 0.657 -4.076 0.154
16 1HE2 GLN 2 1HE2 GLN 2 3.059 -4.239 2.636
17 2HE2 GLN 2 2HE2 GLN 2 2.480 -5.864 3.283
18 H TRP 3 H TRP 3 0.007 -2.790 -1.928
19 HA TRP 3 HA TRP 3 -0.856 -3.876 -4.571
20 1HB TRP 3 1HB TRP 3 -2.845 -5.193 -3.589
21 2HB TRP 3 2HB TRP 3 -1.250 -5.881 -3.555
22 HD1 TRP 3 HD1 TRP 3 -0.704 -7.094 -1.507
23 HE1 TRP 3 HE1 TRP 3 -1.306 -7.166 1.085
24 HE3 TRP 3 HE3 TRP 3 -3.574 -2.937 -1.494
25 HZ2 TRP 3 HZ2 TRP 3 -3.115 -5.630 2.675
26 HZ3 TRP 3 HZ3 TRP 3 -4.570 -2.173 0.559
27 HH2 TRP 3 HH2 TRP 3 -4.394 -3.512 2.653
28 H GLN 4 H GLN 4 -1.034 -1.241 -2.842
29 HA GLN 4 HA GLN 4 -3.401 -0.007 -2.753
30 1HB GLN 4 1HB GLN 4 -2.369 2.042 -3.825
31 2HB GLN 4 2HB GLN 4 -1.456 1.298 -2.553
32 1HG GLN 4 1HG GLN 4 0.339 0.691 -3.888
33 2HG GLN 4 2HG GLN 4 -0.624 0.264 -5.261
34 1HE2 GLN 4 1HE2 GLN 4 -0.237 1.506 -6.936
35 2HE2 GLN 4 2HE2 GLN 4 0.326 3.247 -6.840
36 H ARG 5 H ARG 5 -2.339 -0.877 -6.003
37 HA ARG 5 HA ARG 5 -5.225 -0.519 -6.872
38 1HB ARG 5 1HB ARG 5 -3.195 1.155 -7.853
39 2HB ARG 5 2HB ARG 5 -3.108 -0.095 -9.018
40 1HG ARG 5 1HG ARG 5 -5.276 1.972 -8.412
41 2HG ARG 5 2HG ARG 5 -4.508 1.587 -9.916
42 1HD ARG 5 1HD ARG 5 -6.698 0.876 -10.323
43 2HD ARG 5 2HD ARG 5 -5.888 -0.652 -9.935
44 HE ARG 5 HE ARG 5 -6.984 0.675 -7.493
45 1HH1 ARG 5 1HH1 ARG 5 -7.940 -1.350 -10.137
46 2HH1 ARG 5 2HH1 ARG 5 -9.292 -2.122 -9.174
47 1HH2 ARG 5 1HH2 ARG 5 -8.529 -0.176 -6.425
48 2HH2 ARG 5 2HH2 ARG 5 -9.589 -1.467 -7.149
49 H ASN 6 H ASN 6 -3.928 -2.906 -5.841
50 HA ASN 6 HA ASN 6 -4.704 -4.877 -8.063
51 1HB ASN 6 1HB ASN 6 -1.924 -4.639 -6.715
52 2HB ASN 6 2HB ASN 6 -2.475 -6.161 -7.337
53 1HD2 ASN 6 1HD2 ASN 6 -1.079 -3.208 -8.327
54 2HD2 ASN 6 2HD2 ASN 6 -1.102 -3.652 -10.113
55 H ILE 7 H ILE 7 -6.469 -4.697 -6.172
56 HA ILE 7 HA ILE 7 -5.983 -7.162 -4.423
57 HB ILE 7 HB ILE 7 -8.497 -5.918 -3.636
58 1HG1 ILE 7 1HG1 ILE 7 -7.443 -3.726 -4.356
59 2HG1 ILE 7 2HG1 ILE 7 -8.123 -3.875 -2.758
60 1HG2 ILE 7 1HG2 ILE 7 -5.899 -6.453 -2.091
61 2HG2 ILE 7 2HG2 ILE 7 -7.488 -6.110 -1.368
62 3HG2 ILE 7 3HG2 ILE 7 -7.234 -7.599 -2.323
63 1HD1 ILE 7 1HD1 ILE 7 -5.831 -2.630 -2.856
64 2HD1 ILE 7 2HD1 ILE 7 -5.941 -3.961 -1.681
65 3HD1 ILE 7 3HD1 ILE 7 -5.094 -4.220 -3.208
66 H ARG 8 H ARG 8 -7.663 -6.430 -7.174
67 HA ARG 8 HA ARG 8 -9.848 -8.498 -6.786
68 1HB ARG 8 1HB ARG 8 -9.099 -6.840 -9.250
69 2HB ARG 8 2HB ARG 8 -10.449 -7.944 -9.172
70 1HG ARG 8 1HG ARG 8 -10.188 -5.500 -7.279
71 2HG ARG 8 2HG ARG 8 -10.920 -5.428 -8.862
72 1HD ARG 8 1HD ARG 8 -12.379 -7.556 -7.816
73 2HD ARG 8 2HD ARG 8 -11.970 -6.785 -6.310
74 HE ARG 8 HE ARG 8 -13.780 -5.755 -8.505
75 1HH1 ARG 8 1HH1 ARG 8 -12.121 -4.801 -5.603
76 2HH1 ARG 8 2HH1 ARG 8 -13.186 -3.326 -5.394
77 1HH2 ARG 8 1HH2 ARG 8 -14.963 -4.080 -8.242
78 2HH2 ARG 8 2HH2 ARG 8 -14.704 -2.946 -6.846
79 H LYS 9 H LYS 9 -6.861 -8.152 -8.747
80 HA LYS 9 HA LYS 9 -6.850 -11.023 -9.514
81 1HB LYS 9 1HB LYS 9 -4.895 -10.711 -10.694
82 2HB LYS 9 2HB LYS 9 -5.876 -9.327 -10.997
83 1HG LYS 9 1HG LYS 9 -4.125 -7.968 -10.537
84 2HG LYS 9 2HG LYS 9 -4.189 -8.407 -8.847
85 1HD LYS 9 1HD LYS 9 -2.615 -10.317 -9.207
86 2HD LYS 9 2HD LYS 9 -2.677 -10.096 -10.958
87 1HE LYS 9 1HE LYS 9 -1.682 -7.764 -10.716
88 2HE LYS 9 2HE LYS 9 -1.558 -7.995 -8.971
89 1HZ LYS 9 1HZ LYS 9 -0.232 -9.805 -11.007
90 2HZ LYS 9 2HZ LYS 9 0.565 -8.633 -10.180
91 3HZ LYS 9 3HZ LYS 9 -0.048 -9.937 -9.385
92 H VAL 10 H VAL 10 -5.337 -9.252 -6.848
93 HA VAL 10 HA VAL 10 -4.281 -11.880 -5.663
94 HB VAL 10 HB VAL 10 -3.924 -9.039 -4.556
95 1HG1 VAL 10 1HG1 VAL 10 -2.602 -11.696 -3.638
96 2HG1 VAL 10 2HG1 VAL 10 -2.261 -10.073 -2.989
97 3HG1 VAL 10 3HG1 VAL 10 -3.852 -10.797 -2.747
98 1HG2 VAL 10 1HG2 VAL 10 -1.492 -9.255 -5.168
99 2HG2 VAL 10 2HG2 VAL 10 -1.815 -10.806 -5.987
100 3HG2 VAL 10 3HG2 VAL 10 -2.510 -9.290 -6.614
101 H ARG 11 H ARG 11 -6.542 -12.457 -5.822
102 HA ARG 11 HA ARG 11 -8.647 -11.004 -4.550
103 1HB ARG 11 1HB ARG 11 -8.682 -12.724 -6.516
104 2HB ARG 11 2HB ARG 11 -8.845 -13.979 -5.305
105 1HG ARG 11 1HG ARG 11 -10.988 -12.690 -4.467
106 2HG ARG 11 2HG ARG 11 -10.755 -11.599 -5.818
107 1HD ARG 11 1HD ARG 11 -10.681 -14.177 -7.098
108 2HD ARG 11 2HD ARG 11 -11.734 -14.471 -5.749
109 HE ARG 11 HE ARG 11 -13.452 -13.112 -6.760
110 1HH1 ARG 11 1HH1 ARG 11 -10.444 -12.388 -8.340
111 2HH1 ARG 11 2HH1 ARG 11 -11.278 -11.665 -9.795
112 1HH2 ARG 11 1HH2 ARG 11 -14.382 -12.228 -8.401
113 2HH2 ARG 11 2HH2 ARG 11 -13.409 -11.566 -9.791
114 1HN NH2 12 1HN NH2 12 -8.095 -13.789 -1.556
115 2HN NH2 12 2HN NH2 12 -7.174 -14.029 -3.133
116 1H2 DAO 13 1H2 DAO 13 0.010 0.819 1.564
117 2H2 DAO 13 2H2 DAO 13 -1.350 1.116 0.490
118 1H3 DAO 13 1H3 DAO 13 -2.145 -0.460 2.189
119 2H3 DAO 13 2H3 DAO 13 -2.031 -1.301 0.663
120 1H4 DAO 13 1H4 DAO 13 -1.009 -2.925 1.921
121 2H4 DAO 13 2H4 DAO 13 0.413 -2.001 1.527
122 1H5 DAO 13 1H5 DAO 13 0.331 -0.845 3.764
123 2H5 DAO 13 2H5 DAO 13 0.565 -2.576 3.812
124 1H6 DAO 13 1H6 DAO 13 -1.653 -0.922 4.924
125 2H6 DAO 13 2H6 DAO 13 -2.305 -2.267 4.015
126 1H7 DAO 13 1H7 DAO 13 -1.242 -3.934 5.352
127 2H7 DAO 13 2H7 DAO 13 -0.084 -2.833 6.067
128 1H8 DAO 13 1H8 DAO 13 -3.117 -2.544 6.602
129 2H8 DAO 13 2H8 DAO 13 -2.096 -3.640 7.523
130 1H9 DAO 13 1H9 DAO 13 -1.601 -0.600 7.300
131 2H9 DAO 13 2H9 DAO 13 -0.569 -1.728 8.173
132 1H10 DAO 13 1H10 DAO 13 -3.528 -1.110 8.832
133 2H10 DAO 13 2H10 DAO 13 -2.597 -2.377 9.617
134 1H11 DAO 13 1H11 DAO 13 -2.515 -0.493 11.095
135 2H11 DAO 13 2H11 DAO 13 -0.902 -0.663 10.423
136 1H12 DAO 13 1H12 DAO 13 -3.027 1.401 9.475
137 2H12 DAO 13 2H12 DAO 13 -1.613 1.752 10.499
138 3H12 DAO 13 3H12 DAO 13 -1.379 1.262 8.807
Start of MODEL 8
1 1H PHE 1 1H PHE 1 1.826 0.285 0.872
2 HA PHE 1 HA PHE 1 2.146 0.702 -1.667
3 1HB PHE 1 1HB PHE 1 4.497 -0.514 -0.095
4 2HB PHE 1 2HB PHE 1 4.575 0.674 -1.360
5 HD1 PHE 1 HD1 PHE 1 3.314 3.034 -0.812
6 HD2 PHE 1 HD2 PHE 1 4.491 0.188 2.189
7 HE1 PHE 1 HE1 PHE 1 3.168 4.785 0.923
8 HE2 PHE 1 HE2 PHE 1 4.346 1.944 3.904
9 HZ PHE 1 HZ PHE 1 3.677 4.239 3.280
10 H GLN 2 H GLN 2 2.234 -2.513 -0.603
11 HA GLN 2 HA GLN 2 3.460 -3.934 -2.901
12 1HB GLN 2 1HB GLN 2 2.441 -5.917 -1.695
13 2HB GLN 2 2HB GLN 2 3.642 -5.032 -0.798
14 1HG GLN 2 1HG GLN 2 1.932 -3.958 0.642
15 2HG GLN 2 2HG GLN 2 0.616 -4.610 -0.317
16 1HE2 GLN 2 1HE2 GLN 2 1.116 -4.935 2.522
17 2HE2 GLN 2 2HE2 GLN 2 1.229 -6.760 2.750
18 H TRP 3 H TRP 3 0.183 -2.842 -2.087
19 HA TRP 3 HA TRP 3 -0.682 -3.598 -4.840
20 1HB TRP 3 1HB TRP 3 -2.601 -5.127 -4.025
21 2HB TRP 3 2HB TRP 3 -0.982 -5.734 -4.073
22 HD1 TRP 3 HD1 TRP 3 -0.480 -7.283 -2.240
23 HE1 TRP 3 HE1 TRP 3 -1.160 -7.811 0.273
24 HE3 TRP 3 HE3 TRP 3 -3.405 -3.190 -1.597
25 HZ2 TRP 3 HZ2 TRP 3 -2.905 -6.496 2.107
26 HZ3 TRP 3 HZ3 TRP 3 -4.540 -2.847 0.509
27 HH2 TRP 3 HH2 TRP 3 -4.306 -4.469 2.381
28 H GLN 4 H GLN 4 -0.861 -1.091 -3.109
29 HA GLN 4 HA GLN 4 -3.338 -0.316 -2.538
30 1HB GLN 4 1HB GLN 4 -2.696 1.807 -2.456
31 2HB GLN 4 2HB GLN 4 -1.126 1.149 -2.729
32 1HG GLN 4 1HG GLN 4 -2.933 2.612 -4.763
33 2HG GLN 4 2HG GLN 4 -1.539 3.261 -3.951
34 1HE2 GLN 4 1HE2 GLN 4 -0.774 0.159 -5.124
35 2HE2 GLN 4 2HE2 GLN 4 0.183 0.819 -6.543
36 H ARG 5 H ARG 5 -2.637 -0.565 -5.911
37 HA ARG 5 HA ARG 5 -5.624 -0.274 -6.602
38 1HB ARG 5 1HB ARG 5 -3.037 0.723 -7.980
39 2HB ARG 5 2HB ARG 5 -4.343 0.274 -8.980
40 1HG ARG 5 1HG ARG 5 -5.912 1.860 -7.814
41 2HG ARG 5 2HG ARG 5 -4.666 2.319 -6.676
42 1HD ARG 5 1HD ARG 5 -4.459 2.744 -9.741
43 2HD ARG 5 2HD ARG 5 -5.102 3.948 -8.609
44 HE ARG 5 HE ARG 5 -2.453 3.170 -7.618
45 1HH1 ARG 5 1HH1 ARG 5 -3.786 4.910 -10.320
46 2HH1 ARG 5 2HH1 ARG 5 -2.239 5.864 -10.544
47 1HH2 ARG 5 1HH2 ARG 5 -0.787 4.223 -7.870
48 2HH2 ARG 5 2HH2 ARG 5 -0.596 5.480 -9.193
49 H ASN 6 H ASN 6 -4.012 -2.769 -5.804
50 HA ASN 6 HA ASN 6 -4.805 -4.523 -8.210
51 1HB ASN 6 1HB ASN 6 -2.045 -4.449 -6.834
52 2HB ASN 6 2HB ASN 6 -2.524 -5.696 -7.948
53 1HD2 ASN 6 1HD2 ASN 6 -3.241 -4.839 -10.188
54 2HD2 ASN 6 2HD2 ASN 6 -2.171 -3.481 -10.818
55 H ILE 7 H ILE 7 -6.429 -4.593 -6.066
56 HA ILE 7 HA ILE 7 -5.732 -7.209 -4.681
57 HB ILE 7 HB ILE 7 -8.330 -6.302 -3.738
58 1HG1 ILE 7 1HG1 ILE 7 -7.570 -3.975 -4.234
59 2HG1 ILE 7 2HG1 ILE 7 -8.047 -4.338 -2.595
60 1HG2 ILE 7 1HG2 ILE 7 -5.651 -6.762 -2.302
61 2HG2 ILE 7 2HG2 ILE 7 -7.240 -6.635 -1.517
62 3HG2 ILE 7 3HG2 ILE 7 -6.891 -7.990 -2.624
63 1HD1 ILE 7 1HD1 ILE 7 -5.905 -2.876 -2.794
64 2HD1 ILE 7 2HD1 ILE 7 -5.751 -4.335 -1.784
65 3HD1 ILE 7 3HD1 ILE 7 -5.067 -4.324 -3.415
66 H ARG 8 H ARG 8 -7.659 -6.268 -7.296
67 HA ARG 8 HA ARG 8 -9.406 -8.732 -7.162
68 1HB ARG 8 1HB ARG 8 -9.228 -6.780 -9.494
69 2HB ARG 8 2HB ARG 8 -10.386 -8.094 -9.276
70 1HG ARG 8 1HG ARG 8 -11.366 -6.948 -7.252
71 2HG ARG 8 2HG ARG 8 -10.202 -5.638 -7.427
72 1HD ARG 8 1HD ARG 8 -11.155 -5.150 -9.771
73 2HD ARG 8 2HD ARG 8 -12.424 -6.363 -9.452
74 HE ARG 8 HE ARG 8 -12.333 -4.554 -7.163
75 1HH1 ARG 8 1HH1 ARG 8 -13.267 -4.406 -10.513
76 2HH1 ARG 8 2HH1 ARG 8 -14.363 -2.970 -10.223
77 1HH2 ARG 8 1HH2 ARG 8 -13.571 -2.904 -6.876
78 2HH2 ARG 8 2HH2 ARG 8 -14.510 -2.176 -8.253
79 H LYS 9 H LYS 9 -6.271 -8.195 -7.953
80 HA LYS 9 HA LYS 9 -5.954 -10.736 -9.559
81 1HB LYS 9 1HB LYS 9 -3.820 -9.046 -8.110
82 2HB LYS 9 2HB LYS 9 -3.481 -10.522 -8.975
83 1HG LYS 9 1HG LYS 9 -4.527 -7.922 -10.252
84 2HG LYS 9 2HG LYS 9 -2.869 -8.456 -10.213
85 1HD LYS 9 1HD LYS 9 -3.117 -9.649 -12.146
86 2HD LYS 9 2HD LYS 9 -4.216 -10.720 -11.349
87 1HE LYS 9 1HE LYS 9 -5.472 -10.016 -13.223
88 2HE LYS 9 2HE LYS 9 -6.166 -9.078 -11.904
89 1HZ LYS 9 1HZ LYS 9 -5.640 -7.581 -13.825
90 2HZ LYS 9 2HZ LYS 9 -4.610 -7.189 -12.601
91 3HZ LYS 9 3HZ LYS 9 -4.075 -8.079 -13.861
92 H VAL 10 H VAL 10 -5.514 -9.600 -6.161
93 HA VAL 10 HA VAL 10 -5.028 -12.449 -5.185
94 HB VAL 10 HB VAL 10 -4.845 -9.802 -3.627
95 1HG1 VAL 10 1HG1 VAL 10 -5.328 -11.767 -2.107
96 2HG1 VAL 10 2HG1 VAL 10 -3.941 -12.651 -2.781
97 3HG1 VAL 10 3HG1 VAL 10 -3.692 -11.154 -1.849
98 1HG2 VAL 10 1HG2 VAL 10 -2.350 -10.140 -3.624
99 2HG2 VAL 10 2HG2 VAL 10 -2.518 -11.555 -4.694
100 3HG2 VAL 10 3HG2 VAL 10 -2.945 -9.929 -5.274
101 H ARG 11 H ARG 11 -7.215 -12.826 -5.972
102 HA ARG 11 HA ARG 11 -9.558 -11.580 -4.815
103 1HB ARG 11 1HB ARG 11 -9.221 -14.165 -6.457
104 2HB ARG 11 2HB ARG 11 -10.778 -13.545 -5.964
105 1HG ARG 11 1HG ARG 11 -10.284 -11.319 -7.091
106 2HG ARG 11 2HG ARG 11 -8.756 -11.978 -7.679
107 1HD ARG 11 1HD ARG 11 -9.973 -13.744 -8.994
108 2HD ARG 11 2HD ARG 11 -11.517 -13.230 -8.306
109 HE ARG 11 HE ARG 11 -9.726 -11.215 -9.809
110 1HH1 ARG 11 1HH1 ARG 11 -12.871 -12.714 -9.547
111 2HH1 ARG 11 2HH1 ARG 11 -13.604 -11.556 -10.754
112 1HH2 ARG 11 1HH2 ARG 11 -10.554 -10.045 -11.274
113 2HH2 ARG 11 2HH2 ARG 11 -12.329 -10.124 -11.694
114 1HN NH2 12 1HN NH2 12 -9.956 -13.442 -1.731
115 2HN NH2 12 2HN NH2 12 -9.540 -11.814 -2.474
116 1H2 DAO 13 1H2 DAO 13 -0.265 0.415 1.732
117 2H2 DAO 13 2H2 DAO 13 -1.528 0.595 0.525
118 1H3 DAO 13 1H3 DAO 13 -2.367 -1.051 2.061
119 2H3 DAO 13 2H3 DAO 13 -1.961 -1.900 0.598
120 1H4 DAO 13 1H4 DAO 13 -0.598 -3.324 1.675
121 2H4 DAO 13 2H4 DAO 13 0.445 -2.049 2.263
122 1H5 DAO 13 1H5 DAO 13 -0.709 -3.616 4.028
123 2H5 DAO 13 2H5 DAO 13 -2.214 -2.811 3.648
124 1H6 DAO 13 1H6 DAO 13 0.319 -1.694 4.981
125 2H6 DAO 13 2H6 DAO 13 -0.749 -0.548 4.201
126 1H7 DAO 13 1H7 DAO 13 -1.828 -2.553 6.287
127 2H7 DAO 13 2H7 DAO 13 -1.071 -1.044 6.770
128 1H8 DAO 13 1H8 DAO 13 -2.694 0.315 5.512
129 2H8 DAO 13 2H8 DAO 13 -3.457 -1.094 4.803
130 1H9 DAO 13 1H9 DAO 13 -4.646 0.048 6.794
131 2H9 DAO 13 2H9 DAO 13 -3.393 -0.577 7.856
132 1H10 DAO 13 1H10 DAO 13 -5.211 -2.321 6.046
133 2H10 DAO 13 2H10 DAO 13 -4.019 -2.952 7.183
134 1H11 DAO 13 1H11 DAO 13 -5.284 -1.901 9.111
135 2H11 DAO 13 2H11 DAO 13 -6.457 -1.219 7.983
136 1H12 DAO 13 1H12 DAO 13 -5.952 -4.255 8.387
137 2H12 DAO 13 2H12 DAO 13 -7.349 -3.334 8.993
138 3H12 DAO 13 3H12 DAO 13 -7.131 -3.560 7.243
Start of MODEL 9
1 1H PHE 1 1H PHE 1 2.211 -0.166 0.452
2 HA PHE 1 HA PHE 1 1.876 0.649 -2.381
3 1HB PHE 1 1HB PHE 1 4.385 0.634 -2.302
4 2HB PHE 1 2HB PHE 1 3.642 1.731 -1.176
5 HD1 PHE 1 HD1 PHE 1 4.081 1.592 1.214
6 HD2 PHE 1 HD2 PHE 1 5.486 -1.547 -1.370
7 HE1 PHE 1 HE1 PHE 1 5.440 0.680 3.051
8 HE2 PHE 1 HE2 PHE 1 6.839 -2.450 0.482
9 HZ PHE 1 HZ PHE 1 6.815 -1.341 2.693
10 H GLN 2 H GLN 2 1.992 -2.295 -0.696
11 HA GLN 2 HA GLN 2 3.281 -4.010 -2.785
12 1HB GLN 2 1HB GLN 2 2.374 -5.853 -1.298
13 2HB GLN 2 2HB GLN 2 3.619 -4.835 -0.621
14 1HG GLN 2 1HG GLN 2 2.018 -3.614 0.793
15 2HG GLN 2 2HG GLN 2 0.637 -4.366 0.023
16 1HE2 GLN 2 1HE2 GLN 2 2.691 -4.580 2.682
17 2HE2 GLN 2 2HE2 GLN 2 2.234 -6.304 3.146
18 H TRP 3 H TRP 3 0.024 -2.860 -2.058
19 HA TRP 3 HA TRP 3 -0.853 -3.836 -4.721
20 1HB TRP 3 1HB TRP 3 -2.898 -5.135 -3.747
21 2HB TRP 3 2HB TRP 3 -1.329 -5.877 -3.830
22 HD1 TRP 3 HD1 TRP 3 -0.679 -7.236 -1.870
23 HE1 TRP 3 HE1 TRP 3 -1.197 -7.471 0.717
24 HE3 TRP 3 HE3 TRP 3 -3.588 -3.104 -1.500
25 HZ2 TRP 3 HZ2 TRP 3 -2.963 -6.070 2.465
26 HZ3 TRP 3 HZ3 TRP 3 -4.605 -2.545 0.630
27 HH2 TRP 3 HH2 TRP 3 -4.321 -4.005 2.616
28 H GLN 4 H GLN 4 -0.734 -1.191 -3.440
29 HA GLN 4 HA GLN 4 -3.272 -0.221 -2.783
30 1HB GLN 4 1HB GLN 4 -2.462 1.933 -2.857
31 2HB GLN 4 2HB GLN 4 -1.079 0.957 -2.496
32 1HG GLN 4 1HG GLN 4 -1.711 2.523 -5.064
33 2HG GLN 4 2HG GLN 4 -0.417 2.778 -3.932
34 1HE2 GLN 4 1HE2 GLN 4 -1.483 0.790 -6.457
35 2HE2 GLN 4 2HE2 GLN 4 0.121 0.029 -6.871
36 H ARG 5 H ARG 5 -2.563 -1.016 -5.986
37 HA ARG 5 HA ARG 5 -5.462 -0.382 -6.686
38 1HB ARG 5 1HB ARG 5 -3.035 0.119 -8.548
39 2HB ARG 5 2HB ARG 5 -4.643 -0.059 -9.145
40 1HG ARG 5 1HG ARG 5 -5.278 1.887 -7.387
41 2HG ARG 5 2HG ARG 5 -3.570 2.234 -7.418
42 1HD ARG 5 1HD ARG 5 -5.487 2.171 -9.852
43 2HD ARG 5 2HD ARG 5 -4.932 3.629 -9.014
44 HE ARG 5 HE ARG 5 -2.542 2.218 -9.865
45 1HH1 ARG 5 1HH1 ARG 5 -5.223 3.852 -11.369
46 2HH1 ARG 5 2HH1 ARG 5 -4.252 4.250 -12.866
47 1HH2 ARG 5 1HH2 ARG 5 -1.455 2.703 -11.584
48 2HH2 ARG 5 2HH2 ARG 5 -2.220 3.620 -12.958
49 H ASN 6 H ASN 6 -3.999 -2.892 -5.726
50 HA ASN 6 HA ASN 6 -4.881 -4.777 -7.999
51 1HB ASN 6 1HB ASN 6 -2.085 -4.716 -6.709
52 2HB ASN 6 2HB ASN 6 -2.650 -6.022 -7.711
53 1HD2 ASN 6 1HD2 ASN 6 -3.562 -5.131 -9.978
54 2HD2 ASN 6 2HD2 ASN 6 -2.363 -3.969 -10.732
55 H ILE 7 H ILE 7 -6.499 -4.685 -5.938
56 HA ILE 7 HA ILE 7 -5.974 -7.330 -4.513
57 HB ILE 7 HB ILE 7 -8.499 -6.299 -3.569
58 1HG1 ILE 7 1HG1 ILE 7 -7.686 -3.994 -4.151
59 2HG1 ILE 7 2HG1 ILE 7 -8.224 -4.306 -2.523
60 1HG2 ILE 7 1HG2 ILE 7 -7.095 -7.966 -2.416
61 2HG2 ILE 7 2HG2 ILE 7 -5.825 -6.755 -2.137
62 3HG2 ILE 7 3HG2 ILE 7 -7.412 -6.572 -1.350
63 1HD1 ILE 7 1HD1 ILE 7 -6.089 -2.857 -2.647
64 2HD1 ILE 7 2HD1 ILE 7 -5.935 -4.308 -1.633
65 3HD1 ILE 7 3HD1 ILE 7 -5.216 -4.290 -3.250
66 H ARG 8 H ARG 8 -7.685 -6.326 -7.199
67 HA ARG 8 HA ARG 8 -9.730 -8.533 -7.087
68 1HB ARG 8 1HB ARG 8 -8.970 -6.717 -9.447
69 2HB ARG 8 2HB ARG 8 -10.235 -7.937 -9.480
70 1HG ARG 8 1HG ARG 8 -11.512 -6.753 -7.664
71 2HG ARG 8 2HG ARG 8 -10.245 -5.535 -7.540
72 1HD ARG 8 1HD ARG 8 -10.638 -4.890 -9.983
73 2HD ARG 8 2HD ARG 8 -11.984 -6.054 -10.050
74 HE ARG 8 HE ARG 8 -12.469 -4.375 -7.730
75 1HH1 ARG 8 1HH1 ARG 8 -12.343 -3.941 -11.180
76 2HH1 ARG 8 2HH1 ARG 8 -13.448 -2.485 -11.113
77 1HH2 ARG 8 1HH2 ARG 8 -13.718 -2.717 -7.689
78 2HH2 ARG 8 2HH2 ARG 8 -14.179 -1.844 -9.216
79 H LYS 9 H LYS 9 -6.550 -8.043 -8.611
80 HA LYS 9 HA LYS 9 -6.427 -10.895 -9.501
81 1HB LYS 9 1HB LYS 9 -4.168 -10.607 -10.157
82 2HB LYS 9 2HB LYS 9 -5.148 -9.330 -10.826
83 1HG LYS 9 1HG LYS 9 -4.250 -7.675 -9.199
84 2HG LYS 9 2HG LYS 9 -3.367 -8.899 -8.321
85 1HD LYS 9 1HD LYS 9 -2.864 -8.187 -11.286
86 2HD LYS 9 2HD LYS 9 -2.002 -7.438 -9.972
87 1HE LYS 9 1HE LYS 9 -1.905 -10.482 -10.596
88 2HE LYS 9 2HE LYS 9 -0.741 -9.307 -11.179
89 1HZ LYS 9 1HZ LYS 9 -0.184 -8.744 -8.807
90 2HZ LYS 9 2HZ LYS 9 -1.260 -9.849 -8.254
91 3HZ LYS 9 3HZ LYS 9 0.072 -10.344 -9.078
92 H VAL 10 H VAL 10 -5.413 -9.202 -6.556
93 HA VAL 10 HA VAL 10 -4.331 -11.825 -5.381
94 HB VAL 10 HB VAL 10 -4.276 -9.058 -4.066
95 1HG1 VAL 10 1HG1 VAL 10 -2.678 -10.126 -2.435
96 2HG1 VAL 10 2HG1 VAL 10 -4.247 -10.934 -2.390
97 3HG1 VAL 10 3HG1 VAL 10 -2.884 -11.703 -3.235
98 1HG2 VAL 10 1HG2 VAL 10 -2.666 -9.024 -5.972
99 2HG2 VAL 10 2HG2 VAL 10 -1.784 -9.077 -4.444
100 3HG2 VAL 10 3HG2 VAL 10 -1.932 -10.558 -5.428
101 H ARG 11 H ARG 11 -6.473 -12.534 -5.809
102 HA ARG 11 HA ARG 11 -8.805 -11.233 -5.022
103 1HB ARG 11 1HB ARG 11 -8.182 -13.382 -6.673
104 2HB ARG 11 2HB ARG 11 -9.066 -14.244 -5.461
105 1HG ARG 11 1HG ARG 11 -10.096 -11.755 -6.996
106 2HG ARG 11 2HG ARG 11 -10.283 -13.407 -7.556
107 1HD ARG 11 1HD ARG 11 -11.644 -13.957 -5.466
108 2HD ARG 11 2HD ARG 11 -11.546 -12.247 -4.979
109 HE ARG 11 HE ARG 11 -12.451 -12.172 -7.706
110 1HH1 ARG 11 1HH1 ARG 11 -13.711 -13.508 -4.757
111 2HH1 ARG 11 2HH1 ARG 11 -15.431 -13.465 -5.383
112 1HH2 ARG 11 1HH2 ARG 11 -14.402 -12.134 -8.388
113 2HH2 ARG 11 2HH2 ARG 11 -15.781 -12.709 -7.350
114 1HN NH2 12 1HN NH2 12 -8.728 -13.547 -1.656
115 2HN NH2 12 2HN NH2 12 -7.387 -13.752 -2.899
116 1H2 DAO 13 1H2 DAO 13 -0.014 0.367 1.752
117 2H2 DAO 13 2H2 DAO 13 -1.452 0.594 0.770
118 1H3 DAO 13 1H3 DAO 13 -2.029 -1.015 2.517
119 2H3 DAO 13 2H3 DAO 13 -2.009 -1.829 0.976
120 1H4 DAO 13 1H4 DAO 13 -0.695 -3.416 1.842
121 2H4 DAO 13 2H4 DAO 13 0.639 -2.288 1.867
122 1H5 DAO 13 1H5 DAO 13 0.196 -3.554 4.022
123 2H5 DAO 13 2H5 DAO 13 -1.329 -2.704 4.211
124 1H6 DAO 13 1H6 DAO 13 1.436 -1.309 4.031
125 2H6 DAO 13 2H6 DAO 13 -0.101 -0.500 4.339
126 1H7 DAO 13 1H7 DAO 13 -0.367 -1.904 6.470
127 2H7 DAO 13 2H7 DAO 13 1.211 -2.631 6.167
128 1H8 DAO 13 1H8 DAO 13 2.272 -0.316 6.232
129 2H8 DAO 13 2H8 DAO 13 0.703 0.397 6.573
130 1H9 DAO 13 1H9 DAO 13 2.141 0.144 8.595
131 2H9 DAO 13 2H9 DAO 13 2.217 -1.597 8.390
132 1H10 DAO 13 1H10 DAO 13 -0.474 -0.137 8.752
133 2H10 DAO 13 2H10 DAO 13 -0.180 -1.860 8.917
134 1H11 DAO 13 1H11 DAO 13 0.909 0.351 10.791
135 2H11 DAO 13 2H11 DAO 13 -0.493 -0.656 11.107
136 1H12 DAO 13 1H12 DAO 13 0.984 -2.737 11.152
137 2H12 DAO 13 2H12 DAO 13 2.413 -1.703 10.888
138 3H12 DAO 13 3H12 DAO 13 1.457 -1.533 12.375
Start of MODEL 10
1 1H PHE 1 1H PHE 1 1.362 0.696 1.047
2 HA PHE 1 HA PHE 1 1.543 0.952 -1.520
3 1HB PHE 1 1HB PHE 1 4.110 0.039 -0.100
4 2HB PHE 1 2HB PHE 1 3.912 1.276 -1.288
5 HD1 PHE 1 HD1 PHE 1 4.400 0.634 2.155
6 HD2 PHE 1 HD2 PHE 1 2.312 3.400 -0.396
7 HE1 PHE 1 HE1 PHE 1 4.182 2.206 4.029
8 HE2 PHE 1 HE2 PHE 1 2.097 4.963 1.501
9 HZ PHE 1 HZ PHE 1 3.021 4.364 3.715
10 H GLN 2 H GLN 2 2.054 -2.109 -0.175
11 HA GLN 2 HA GLN 2 3.297 -3.767 -2.254
12 1HB GLN 2 1HB GLN 2 2.273 -5.574 -0.849
13 2HB GLN 2 2HB GLN 2 3.345 -4.506 0.013
14 1HG GLN 2 1HG GLN 2 1.353 -3.298 1.061
15 2HG GLN 2 2HG GLN 2 0.255 -4.308 0.169
16 1HE2 GLN 2 1HE2 GLN 2 2.070 -4.059 3.044
17 2HE2 GLN 2 2HE2 GLN 2 1.708 -5.773 3.615
18 H TRP 3 H TRP 3 -0.014 -2.594 -1.759
19 HA TRP 3 HA TRP 3 -0.698 -3.676 -4.453
20 1HB TRP 3 1HB TRP 3 -2.760 -4.960 -3.565
21 2HB TRP 3 2HB TRP 3 -1.177 -5.659 -3.429
22 HD1 TRP 3 HD1 TRP 3 -0.798 -6.896 -1.349
23 HE1 TRP 3 HE1 TRP 3 -1.686 -7.045 1.152
24 HE3 TRP 3 HE3 TRP 3 -3.653 -2.717 -1.533
25 HZ2 TRP 3 HZ2 TRP 3 -3.627 -5.522 2.592
26 HZ3 TRP 3 HZ3 TRP 3 -5.005 -2.099 0.382
27 HH2 TRP 3 HH2 TRP 3 -4.986 -3.457 2.461
28 H GLN 4 H GLN 4 -0.760 -0.944 -3.298
29 HA GLN 4 HA GLN 4 -3.372 -0.016 -3.030
30 1HB GLN 4 1HB GLN 4 -2.653 2.151 -3.214
31 2HB GLN 4 2HB GLN 4 -1.264 1.297 -2.626
32 1HG GLN 4 1HG GLN 4 -1.700 2.408 -5.489
33 2HG GLN 4 2HG GLN 4 -0.735 3.127 -4.232
34 1HE2 GLN 4 1HE2 GLN 4 -0.904 0.208 -6.097
35 2HE2 GLN 4 2HE2 GLN 4 0.905 0.047 -6.310
36 H ARG 5 H ARG 5 -2.405 -1.174 -6.004
37 HA ARG 5 HA ARG 5 -5.108 -0.421 -7.150
38 1HB ARG 5 1HB ARG 5 -2.511 0.371 -8.328
39 2HB ARG 5 2HB ARG 5 -3.150 -0.830 -9.366
40 1HG ARG 5 1HG ARG 5 -4.947 1.503 -8.391
41 2HG ARG 5 2HG ARG 5 -3.699 1.810 -9.559
42 1HD ARG 5 1HD ARG 5 -5.882 1.534 -10.635
43 2HD ARG 5 2HD ARG 5 -4.686 0.392 -11.258
44 HE ARG 5 HE ARG 5 -5.780 -1.327 -9.510
45 1HH1 ARG 5 1HH1 ARG 5 -7.571 0.938 -11.477
46 2HH1 ARG 5 2HH1 ARG 5 -8.994 -0.203 -11.596
47 1HH2 ARG 5 1HH2 ARG 5 -7.365 -2.542 -9.659
48 2HH2 ARG 5 2HH2 ARG 5 -8.868 -2.103 -10.605
49 H ASN 6 H ASN 6 -3.703 -2.983 -5.846
50 HA ASN 6 HA ASN 6 -4.665 -5.005 -7.979
51 1HB ASN 6 1HB ASN 6 -1.895 -4.878 -6.620
52 2HB ASN 6 2HB ASN 6 -2.494 -6.311 -7.412
53 1HD2 ASN 6 1HD2 ASN 6 -0.380 -4.029 -8.062
54 2HD2 ASN 6 2HD2 ASN 6 -0.667 -3.922 -9.876
55 H ILE 7 H ILE 7 -6.453 -4.980 -6.282
56 HA ILE 7 HA ILE 7 -5.860 -7.228 -4.300
57 HB ILE 7 HB ILE 7 -8.477 -6.077 -3.699
58 1HG1 ILE 7 1HG1 ILE 7 -7.572 -3.896 -4.503
59 2HG1 ILE 7 2HG1 ILE 7 -8.157 -3.965 -2.855
60 1HG2 ILE 7 1HG2 ILE 7 -5.925 -6.397 -2.014
61 2HG2 ILE 7 2HG2 ILE 7 -7.555 -6.082 -1.380
62 3HG2 ILE 7 3HG2 ILE 7 -7.199 -7.614 -2.222
63 1HD1 ILE 7 1HD1 ILE 7 -5.965 -2.631 -3.119
64 2HD1 ILE 7 2HD1 ILE 7 -5.915 -3.940 -1.918
65 3HD1 ILE 7 3HD1 ILE 7 -5.143 -4.172 -3.491
66 H ARG 8 H ARG 8 -8.114 -6.446 -6.894
67 HA ARG 8 HA ARG 8 -9.727 -8.938 -6.336
68 1HB ARG 8 1HB ARG 8 -10.075 -6.802 -8.503
69 2HB ARG 8 2HB ARG 8 -11.040 -8.269 -8.383
70 1HG ARG 8 1HG ARG 8 -11.754 -7.680 -6.047
71 2HG ARG 8 2HG ARG 8 -10.851 -6.179 -6.111
72 1HD ARG 8 1HD ARG 8 -12.325 -5.249 -7.902
73 2HD ARG 8 2HD ARG 8 -13.069 -6.812 -8.158
74 HE ARG 8 HE ARG 8 -14.328 -6.678 -6.099
75 1HH1 ARG 8 1HH1 ARG 8 -12.219 -3.922 -6.304
76 2HH1 ARG 8 2HH1 ARG 8 -13.082 -3.070 -4.932
77 1HH2 ARG 8 1HH2 ARG 8 -15.317 -5.662 -4.593
78 2HH2 ARG 8 2HH2 ARG 8 -14.747 -4.034 -4.018
79 H LYS 9 H LYS 9 -7.130 -8.013 -8.520
80 HA LYS 9 HA LYS 9 -7.069 -10.758 -9.720
81 1HB LYS 9 1HB LYS 9 -5.048 -10.272 -10.803
82 2HB LYS 9 2HB LYS 9 -6.156 -8.976 -11.110
83 1HG LYS 9 1HG LYS 9 -4.894 -7.352 -9.954
84 2HG LYS 9 2HG LYS 9 -4.188 -8.462 -8.814
85 1HD LYS 9 1HD LYS 9 -3.435 -8.433 -11.811
86 2HD LYS 9 2HD LYS 9 -2.616 -7.469 -10.593
87 1HE LYS 9 1HE LYS 9 -1.950 -9.543 -9.300
88 2HE LYS 9 2HE LYS 9 -2.788 -10.571 -10.457
89 1HZ LYS 9 1HZ LYS 9 -0.377 -10.363 -11.045
90 2HZ LYS 9 2HZ LYS 9 -1.278 -9.698 -12.247
91 3HZ LYS 9 3HZ LYS 9 -0.500 -8.729 -11.179
92 H VAL 10 H VAL 10 -5.683 -9.281 -6.834
93 HA VAL 10 HA VAL 10 -4.109 -11.837 -6.182
94 HB VAL 10 HB VAL 10 -4.142 -9.167 -4.655
95 1HG1 VAL 10 1HG1 VAL 10 -2.181 -10.099 -3.385
96 2HG1 VAL 10 2HG1 VAL 10 -3.606 -11.109 -3.137
97 3HG1 VAL 10 3HG1 VAL 10 -2.326 -11.652 -4.244
98 1HG2 VAL 10 1HG2 VAL 10 -1.772 -8.852 -5.434
99 2HG2 VAL 10 2HG2 VAL 10 -1.889 -10.306 -6.460
100 3HG2 VAL 10 3HG2 VAL 10 -2.881 -8.866 -6.806
101 H ARG 11 H ARG 11 -6.321 -12.712 -6.353
102 HA ARG 11 HA ARG 11 -8.420 -11.700 -4.641
103 1HB ARG 11 1HB ARG 11 -8.501 -12.657 -7.048
104 2HB ARG 11 2HB ARG 11 -8.606 -14.255 -6.341
105 1HG ARG 11 1HG ARG 11 -10.734 -13.569 -5.130
106 2HG ARG 11 2HG ARG 11 -10.549 -11.917 -5.732
107 1HD ARG 11 1HD ARG 11 -10.706 -12.765 -8.123
108 2HD ARG 11 2HD ARG 11 -10.981 -14.416 -7.510
109 HE ARG 11 HE ARG 11 -12.928 -12.770 -6.161
110 1HH1 ARG 11 1HH1 ARG 11 -12.273 -13.647 -9.458
111 2HH1 ARG 11 2HH1 ARG 11 -14.007 -13.357 -9.967
112 1HH2 ARG 11 1HH2 ARG 11 -14.889 -12.447 -6.764
113 2HH2 ARG 11 2HH2 ARG 11 -15.403 -12.707 -8.491
114 1HN NH2 12 1HN NH2 12 -7.669 -15.241 -2.688
115 2HN NH2 12 2HN NH2 12 -6.748 -14.906 -4.246
116 1H2 DAO 13 1H2 DAO 13 -0.673 0.912 1.925
117 2H2 DAO 13 2H2 DAO 13 -2.034 0.915 0.820
118 1H3 DAO 13 1H3 DAO 13 -2.577 -0.506 2.768
119 2H3 DAO 13 2H3 DAO 13 -2.541 -1.438 1.301
120 1H4 DAO 13 1H4 DAO 13 -1.084 -2.900 2.103
121 2H4 DAO 13 2H4 DAO 13 0.138 -1.695 2.402
122 1H5 DAO 13 1H5 DAO 13 -0.703 -3.215 4.346
123 2H5 DAO 13 2H5 DAO 13 -2.138 -2.225 4.434
124 1H6 DAO 13 1H6 DAO 13 -0.189 -1.717 6.058
125 2H6 DAO 13 2H6 DAO 13 0.764 -1.139 4.704
126 1H7 DAO 13 1H7 DAO 13 -0.932 0.697 4.289
127 2H7 DAO 13 2H7 DAO 13 -1.954 0.060 5.576
128 1H8 DAO 13 1H8 DAO 13 -0.069 0.438 7.241
129 2H8 DAO 13 2H8 DAO 13 0.929 1.134 5.976
130 1H9 DAO 13 1H9 DAO 13 -0.348 2.750 7.556
131 2H9 DAO 13 2H9 DAO 13 -1.842 2.260 6.779
132 1H10 DAO 13 1H10 DAO 13 0.587 3.577 5.384
133 2H10 DAO 13 2H10 DAO 13 -0.870 3.103 4.526
134 1H11 DAO 13 1H11 DAO 13 -0.855 5.133 6.870
135 2H11 DAO 13 2H11 DAO 13 -0.658 5.593 5.187
136 1H12 DAO 13 1H12 DAO 13 -3.176 4.180 6.313
137 2H12 DAO 13 2H12 DAO 13 -3.039 5.898 5.880
138 3H12 DAO 13 3H12 DAO 13 -2.941 4.654 4.612
Start of MODEL 11
1 1H PHE 1 1H PHE 1 1.804 0.375 0.790
2 HA PHE 1 HA PHE 1 2.202 0.987 -2.088
3 1HB PHE 1 1HB PHE 1 4.718 0.864 -1.345
4 2HB PHE 1 2HB PHE 1 3.705 2.232 -1.063
5 HD1 PHE 1 HD1 PHE 1 3.723 3.304 1.018
6 HD2 PHE 1 HD2 PHE 1 4.902 -0.832 0.858
7 HE1 PHE 1 HE1 PHE 1 4.251 3.359 3.414
8 HE2 PHE 1 HE2 PHE 1 5.426 -0.758 3.271
9 HZ PHE 1 HZ PHE 1 5.094 1.334 4.549
10 H GLN 2 H GLN 2 1.790 -1.777 -0.254
11 HA GLN 2 HA GLN 2 3.429 -3.631 -1.967
12 1HB GLN 2 1HB GLN 2 2.203 -5.389 -0.572
13 2HB GLN 2 2HB GLN 2 3.424 -4.422 0.211
14 1HG GLN 2 1HG GLN 2 1.769 -3.045 1.377
15 2HG GLN 2 2HG GLN 2 0.431 -3.742 0.481
16 1HE2 GLN 2 1HE2 GLN 2 1.400 -3.724 3.462
17 2HE2 GLN 2 2HE2 GLN 2 1.126 -5.491 3.903
18 H TRP 3 H TRP 3 0.093 -2.463 -1.845
19 HA TRP 3 HA TRP 3 -0.405 -3.690 -4.510
20 1HB TRP 3 1HB TRP 3 -2.440 -5.096 -3.680
21 2HB TRP 3 2HB TRP 3 -0.819 -5.695 -3.526
22 HD1 TRP 3 HD1 TRP 3 -0.533 -7.054 -1.520
23 HE1 TRP 3 HE1 TRP 3 -1.340 -7.196 1.016
24 HE3 TRP 3 HE3 TRP 3 -3.363 -2.845 -1.594
25 HZ2 TRP 3 HZ2 TRP 3 -3.212 -5.657 2.526
26 HZ3 TRP 3 HZ3 TRP 3 -4.631 -2.211 0.369
27 HH2 TRP 3 HH2 TRP 3 -4.569 -3.582 2.443
28 H GLN 4 H GLN 4 -0.766 -0.984 -3.261
29 HA GLN 4 HA GLN 4 -3.246 -0.127 -2.942
30 1HB GLN 4 1HB GLN 4 -2.654 2.026 -3.311
31 2HB GLN 4 2HB GLN 4 -1.107 1.296 -3.069
32 1HG GLN 4 1HG GLN 4 -2.314 2.209 -5.777
33 2HG GLN 4 2HG GLN 4 -1.195 3.105 -4.797
34 1HE2 GLN 4 1HE2 GLN 4 -0.688 -0.335 -5.545
35 2HE2 GLN 4 2HE2 GLN 4 0.586 0.057 -6.805
36 H ARG 5 H ARG 5 -2.375 -0.720 -6.277
37 HA ARG 5 HA ARG 5 -5.326 -0.543 -7.094
38 1HB ARG 5 1HB ARG 5 -2.649 0.076 -8.486
39 2HB ARG 5 2HB ARG 5 -3.879 -0.540 -9.484
40 1HG ARG 5 1HG ARG 5 -4.384 1.925 -7.664
41 2HG ARG 5 2HG ARG 5 -3.615 2.036 -9.223
42 1HD ARG 5 1HD ARG 5 -5.856 2.593 -9.697
43 2HD ARG 5 2HD ARG 5 -5.644 0.956 -10.332
44 HE ARG 5 HE ARG 5 -6.719 1.021 -7.519
45 1HH1 ARG 5 1HH1 ARG 5 -7.699 1.229 -10.848
46 2HH1 ARG 5 2HH1 ARG 5 -9.383 0.622 -10.476
47 1HH2 ARG 5 1HH2 ARG 5 -8.629 0.317 -7.127
48 2HH2 ARG 5 2HH2 ARG 5 -9.865 0.144 -8.455
49 H ASN 6 H ASN 6 -3.748 -2.983 -5.893
50 HA ASN 6 HA ASN 6 -4.614 -5.025 -8.046
51 1HB ASN 6 1HB ASN 6 -1.879 -4.828 -6.629
52 2HB ASN 6 2HB ASN 6 -2.400 -6.233 -7.523
53 1HD2 ASN 6 1HD2 ASN 6 -0.261 -4.026 -7.990
54 2HD2 ASN 6 2HD2 ASN 6 -0.534 -3.724 -9.785
55 H ILE 7 H ILE 7 -6.397 -4.977 -6.289
56 HA ILE 7 HA ILE 7 -5.803 -7.315 -4.411
57 HB ILE 7 HB ILE 7 -8.332 -6.105 -3.618
58 1HG1 ILE 7 1HG1 ILE 7 -7.402 -3.922 -4.411
59 2HG1 ILE 7 2HG1 ILE 7 -7.930 -4.030 -2.746
60 1HG2 ILE 7 1HG2 ILE 7 -7.287 -6.210 -1.358
61 2HG2 ILE 7 2HG2 ILE 7 -7.017 -7.720 -2.265
62 3HG2 ILE 7 3HG2 ILE 7 -5.702 -6.543 -2.089
63 1HD1 ILE 7 1HD1 ILE 7 -4.945 -4.283 -3.487
64 2HD1 ILE 7 2HD1 ILE 7 -5.722 -2.733 -3.062
65 3HD1 ILE 7 3HD1 ILE 7 -5.659 -4.063 -1.884
66 H ARG 8 H ARG 8 -8.091 -6.366 -6.898
67 HA ARG 8 HA ARG 8 -9.815 -8.798 -6.418
68 1HB ARG 8 1HB ARG 8 -9.956 -6.675 -8.625
69 2HB ARG 8 2HB ARG 8 -11.030 -8.064 -8.484
70 1HG ARG 8 1HG ARG 8 -11.794 -7.324 -6.215
71 2HG ARG 8 2HG ARG 8 -10.781 -5.904 -6.290
72 1HD ARG 8 1HD ARG 8 -12.190 -4.729 -7.765
73 2HD ARG 8 2HD ARG 8 -12.569 -6.140 -8.706
74 HE ARG 8 HE ARG 8 -14.407 -6.744 -7.290
75 1HH1 ARG 8 1HH1 ARG 8 -12.694 -4.121 -5.789
76 2HH1 ARG 8 2HH1 ARG 8 -14.069 -3.793 -4.625
77 1HH2 ARG 8 1HH2 ARG 8 -15.963 -6.314 -5.998
78 2HH2 ARG 8 2HH2 ARG 8 -15.822 -4.998 -4.752
79 H LYS 9 H LYS 9 -7.072 -7.997 -8.401
80 HA LYS 9 HA LYS 9 -7.099 -10.686 -9.739
81 1HB LYS 9 1HB LYS 9 -5.062 -10.212 -10.788
82 2HB LYS 9 2HB LYS 9 -6.087 -8.810 -10.972
83 1HG LYS 9 1HG LYS 9 -4.768 -7.659 -9.071
84 2HG LYS 9 2HG LYS 9 -3.692 -9.043 -9.005
85 1HD LYS 9 1HD LYS 9 -4.144 -7.231 -11.466
86 2HD LYS 9 2HD LYS 9 -2.835 -7.074 -10.336
87 1HE LYS 9 1HE LYS 9 -1.511 -8.657 -11.274
88 2HE LYS 9 2HE LYS 9 -2.772 -9.869 -11.296
89 1HZ LYS 9 1HZ LYS 9 -3.688 -8.802 -13.368
90 2HZ LYS 9 2HZ LYS 9 -2.506 -7.669 -13.353
91 3HZ LYS 9 3HZ LYS 9 -2.125 -9.248 -13.614
92 H VAL 10 H VAL 10 -5.557 -9.268 -6.848
93 HA VAL 10 HA VAL 10 -4.223 -11.930 -6.155
94 HB VAL 10 HB VAL 10 -4.113 -9.288 -4.591
95 1HG1 VAL 10 1HG1 VAL 10 -2.171 -10.362 -3.374
96 2HG1 VAL 10 2HG1 VAL 10 -3.656 -11.284 -3.130
97 3HG1 VAL 10 3HG1 VAL 10 -2.429 -11.875 -4.272
98 1HG2 VAL 10 1HG2 VAL 10 -1.732 -9.066 -5.383
99 2HG2 VAL 10 2HG2 VAL 10 -1.946 -10.464 -6.470
100 3HG2 VAL 10 3HG2 VAL 10 -2.864 -8.960 -6.730
101 H ARG 11 H ARG 11 -6.436 -12.684 -6.309
102 HA ARG 11 HA ARG 11 -8.538 -11.616 -4.673
103 1HB ARG 11 1HB ARG 11 -8.583 -12.644 -7.017
104 2HB ARG 11 2HB ARG 11 -8.639 -14.234 -6.290
105 1HG ARG 11 1HG ARG 11 -10.808 -13.654 -5.145
106 2HG ARG 11 2HG ARG 11 -10.728 -12.001 -5.718
107 1HD ARG 11 1HD ARG 11 -10.944 -14.494 -7.544
108 2HD ARG 11 2HD ARG 11 -12.310 -13.480 -7.037
109 HE ARG 11 HE ARG 11 -10.304 -11.703 -8.232
110 1HH1 ARG 11 1HH1 ARG 11 -12.451 -14.227 -9.308
111 2HH1 ARG 11 2HH1 ARG 11 -12.429 -13.600 -11.028
112 1HH2 ARG 11 1HH2 ARG 11 -10.303 -11.036 -10.112
113 2HH2 ARG 11 2HH2 ARG 11 -11.251 -11.842 -11.457
114 1HN NH2 12 1HN NH2 12 -7.897 -15.105 -2.565
115 2HN NH2 12 2HN NH2 12 -6.973 -14.873 -4.141
116 1H2 DAO 13 1H2 DAO 13 -0.672 1.264 1.322
117 2H2 DAO 13 2H2 DAO 13 -1.870 1.069 0.053
118 1H3 DAO 13 1H3 DAO 13 -2.608 -0.438 1.779
119 2H3 DAO 13 2H3 DAO 13 -1.923 -1.433 0.524
120 1H4 DAO 13 1H4 DAO 13 -0.881 -2.490 2.254
121 2H4 DAO 13 2H4 DAO 13 0.335 -1.270 1.990
122 1H5 DAO 13 1H5 DAO 13 -0.935 0.159 3.858
123 2H5 DAO 13 2H5 DAO 13 0.124 -1.161 4.280
124 1H6 DAO 13 1H6 DAO 13 -2.143 -2.668 4.164
125 2H6 DAO 13 2H6 DAO 13 -1.556 -1.877 5.608
126 1H7 DAO 13 1H7 DAO 13 -3.076 0.040 5.330
127 2H7 DAO 13 2H7 DAO 13 -3.643 -0.545 3.768
128 1H8 DAO 13 1H8 DAO 13 -4.617 -2.576 4.771
129 2H8 DAO 13 2H8 DAO 13 -3.939 -2.226 6.349
130 1H9 DAO 13 1H9 DAO 13 -6.436 -1.730 6.002
131 2H9 DAO 13 2H9 DAO 13 -6.005 -0.386 4.956
132 1H10 DAO 13 1H10 DAO 13 -5.035 -0.667 7.888
133 2H10 DAO 13 2H10 DAO 13 -4.804 0.746 6.859
134 1H11 DAO 13 1H11 DAO 13 -7.326 1.075 6.751
135 2H11 DAO 13 2H11 DAO 13 -7.556 -0.360 7.753
136 1H12 DAO 13 1H12 DAO 13 -6.063 2.208 8.650
137 2H12 DAO 13 2H12 DAO 13 -7.686 1.696 9.170
138 3H12 DAO 13 3H12 DAO 13 -6.262 0.747 9.654
Start of MODEL 12
1 1H PHE 1 1H PHE 1 2.267 0.366 0.265
2 HA PHE 1 HA PHE 1 2.235 0.998 -2.600
3 1HB PHE 1 1HB PHE 1 4.679 0.656 -2.312
4 2HB PHE 1 2HB PHE 1 3.988 1.853 -1.260
5 HD1 PHE 1 HD1 PHE 1 5.496 -1.582 -1.277
6 HD2 PHE 1 HD2 PHE 1 4.084 1.649 1.186
7 HE1 PHE 1 HE1 PHE 1 6.632 -2.562 0.679
8 HE2 PHE 1 HE2 PHE 1 5.223 0.659 3.127
9 HZ PHE 1 HZ PHE 1 6.496 -1.445 2.882
10 H GLN 2 H GLN 2 2.070 -1.988 -0.802
11 HA GLN 2 HA GLN 2 3.324 -3.744 -2.877
12 1HB GLN 2 1HB GLN 2 2.583 -5.560 -1.299
13 2HB GLN 2 2HB GLN 2 3.781 -4.446 -0.694
14 1HG GLN 2 1HG GLN 2 2.109 -3.278 0.738
15 2HG GLN 2 2HG GLN 2 0.787 -4.198 0.051
16 1HE2 GLN 2 1HE2 GLN 2 3.621 -4.394 2.170
17 2HE2 GLN 2 2HE2 GLN 2 3.055 -5.963 2.954
18 H TRP 3 H TRP 3 0.061 -2.754 -2.006
19 HA TRP 3 HA TRP 3 -0.882 -3.839 -4.613
20 1HB TRP 3 1HB TRP 3 -2.812 -5.206 -3.589
21 2HB TRP 3 2HB TRP 3 -1.197 -5.859 -3.600
22 HD1 TRP 3 HD1 TRP 3 -0.505 -7.036 -1.560
23 HE1 TRP 3 HE1 TRP 3 -1.052 -7.150 1.035
24 HE3 TRP 3 HE3 TRP 3 -3.547 -3.008 -1.460
25 HZ2 TRP 3 HZ2 TRP 3 -2.896 -5.717 2.676
26 HZ3 TRP 3 HZ3 TRP 3 -4.503 -2.287 0.628
27 HH2 TRP 3 HH2 TRP 3 -4.249 -3.648 2.700
28 H GLN 4 H GLN 4 -1.025 -1.221 -2.872
29 HA GLN 4 HA GLN 4 -3.426 -0.038 -2.681
30 1HB GLN 4 1HB GLN 4 -2.446 2.056 -3.720
31 2HB GLN 4 2HB GLN 4 -1.512 1.301 -2.475
32 1HG GLN 4 1HG GLN 4 0.300 0.831 -3.808
33 2HG GLN 4 2HG GLN 4 -0.639 0.297 -5.161
34 1HE2 GLN 4 1HE2 GLN 4 -0.360 1.513 -6.884
35 2HE2 GLN 4 2HE2 GLN 4 0.146 3.273 -6.833
36 H ARG 5 H ARG 5 -2.434 -0.868 -5.959
37 HA ARG 5 HA ARG 5 -5.329 -0.468 -6.766
38 1HB ARG 5 1HB ARG 5 -3.299 1.208 -7.782
39 2HB ARG 5 2HB ARG 5 -3.310 -0.011 -8.988
40 1HG ARG 5 1HG ARG 5 -5.493 1.964 -8.108
41 2HG ARG 5 2HG ARG 5 -4.718 1.822 -9.660
42 1HD ARG 5 1HD ARG 5 -6.861 1.013 -10.193
43 2HD ARG 5 2HD ARG 5 -5.981 -0.471 -9.950
44 HE ARG 5 HE ARG 5 -7.194 -0.908 -7.890
45 1HH1 ARG 5 1HH1 ARG 5 -7.931 2.320 -8.943
46 2HH1 ARG 5 2HH1 ARG 5 -9.180 2.551 -7.626
47 1HH2 ARG 5 1HH2 ARG 5 -8.617 -0.617 -6.401
48 2HH2 ARG 5 2HH2 ARG 5 -9.527 0.952 -6.266
49 H ASN 6 H ASN 6 -4.055 -2.864 -5.795
50 HA ASN 6 HA ASN 6 -4.582 -4.802 -8.110
51 1HB ASN 6 1HB ASN 6 -1.905 -4.085 -6.795
52 2HB ASN 6 2HB ASN 6 -2.158 -5.772 -6.991
53 1HD2 ASN 6 1HD2 ASN 6 -1.372 -2.944 -8.743
54 2HD2 ASN 6 2HD2 ASN 6 -1.289 -3.818 -10.358
55 H ILE 7 H ILE 7 -6.295 -4.600 -5.864
56 HA ILE 7 HA ILE 7 -5.818 -7.267 -4.481
57 HB ILE 7 HB ILE 7 -8.323 -6.247 -3.509
58 1HG1 ILE 7 1HG1 ILE 7 -7.521 -3.935 -4.172
59 2HG1 ILE 7 2HG1 ILE 7 -8.113 -4.218 -2.559
60 1HG2 ILE 7 1HG2 ILE 7 -5.628 -6.612 -2.095
61 2HG2 ILE 7 2HG2 ILE 7 -7.210 -6.446 -1.303
62 3HG2 ILE 7 3HG2 ILE 7 -6.872 -7.859 -2.337
63 1HD1 ILE 7 1HD1 ILE 7 -5.949 -2.754 -2.681
64 2HD1 ILE 7 2HD1 ILE 7 -5.890 -4.139 -1.568
65 3HD1 ILE 7 3HD1 ILE 7 -5.083 -4.250 -3.134
66 H ARG 8 H ARG 8 -7.514 -6.311 -7.193
67 HA ARG 8 HA ARG 8 -9.701 -8.363 -6.939
68 1HB ARG 8 1HB ARG 8 -8.900 -6.735 -9.417
69 2HB ARG 8 2HB ARG 8 -10.284 -7.808 -9.310
70 1HG ARG 8 1HG ARG 8 -11.348 -6.351 -7.532
71 2HG ARG 8 2HG ARG 8 -9.935 -5.331 -7.510
72 1HD ARG 8 1HD ARG 8 -11.380 -4.070 -8.821
73 2HD ARG 8 2HD ARG 8 -10.326 -4.813 -10.034
74 HE ARG 8 HE ARG 8 -12.686 -6.535 -9.612
75 1HH1 ARG 8 1HH1 ARG 8 -11.878 -3.479 -11.069
76 2HH1 ARG 8 2HH1 ARG 8 -13.359 -3.511 -12.141
77 1HH2 ARG 8 1HH2 ARG 8 -14.371 -6.531 -10.838
78 2HH2 ARG 8 2HH2 ARG 8 -14.686 -5.166 -11.998
79 H LYS 9 H LYS 9 -6.595 -8.105 -8.670
80 HA LYS 9 HA LYS 9 -6.665 -10.939 -9.556
81 1HB LYS 9 1HB LYS 9 -4.511 -10.700 -10.467
82 2HB LYS 9 2HB LYS 9 -5.428 -9.285 -10.855
83 1HG LYS 9 1HG LYS 9 -3.489 -8.198 -10.327
84 2HG LYS 9 2HG LYS 9 -4.143 -8.197 -8.702
85 1HD LYS 9 1HD LYS 9 -2.812 -10.353 -8.218
86 2HD LYS 9 2HD LYS 9 -2.180 -10.303 -9.862
87 1HE LYS 9 1HE LYS 9 -1.137 -8.016 -9.399
88 2HE LYS 9 2HE LYS 9 -1.772 -8.060 -7.754
89 1HZ LYS 9 1HZ LYS 9 0.158 -10.092 -8.898
90 2HZ LYS 9 2HZ LYS 9 0.562 -8.929 -7.810
91 3HZ LYS 9 3HZ LYS 9 -0.440 -10.158 -7.375
92 H VAL 10 H VAL 10 -5.478 -9.390 -6.615
93 HA VAL 10 HA VAL 10 -4.617 -12.114 -5.484
94 HB VAL 10 HB VAL 10 -4.456 -9.385 -4.084
95 1HG1 VAL 10 1HG1 VAL 10 -4.554 -11.351 -2.481
96 2HG1 VAL 10 2HG1 VAL 10 -3.165 -12.096 -3.298
97 3HG1 VAL 10 3HG1 VAL 10 -2.981 -10.552 -2.430
98 1HG2 VAL 10 1HG2 VAL 10 -2.793 -9.351 -5.926
99 2HG2 VAL 10 2HG2 VAL 10 -1.957 -9.504 -4.377
100 3HG2 VAL 10 3HG2 VAL 10 -2.141 -10.938 -5.427
101 H ARG 11 H ARG 11 -6.908 -12.611 -6.037
102 HA ARG 11 HA ARG 11 -9.081 -11.160 -4.822
103 1HB ARG 11 1HB ARG 11 -9.036 -12.593 -6.991
104 2HB ARG 11 2HB ARG 11 -9.421 -13.975 -5.995
105 1HG ARG 11 1HG ARG 11 -11.420 -12.338 -5.103
106 2HG ARG 11 2HG ARG 11 -11.088 -11.435 -6.565
107 1HD ARG 11 1HD ARG 11 -11.924 -14.415 -6.380
108 2HD ARG 11 2HD ARG 11 -12.995 -13.051 -6.742
109 HE ARG 11 HE ARG 11 -10.743 -13.155 -8.675
110 1HH1 ARG 11 1HH1 ARG 11 -13.817 -14.636 -7.992
111 2HH1 ARG 11 2HH1 ARG 11 -14.021 -15.209 -9.717
112 1HH2 ARG 11 1HH2 ARG 11 -10.988 -13.852 -10.624
113 2HH2 ARG 11 2HH2 ARG 11 -12.475 -14.779 -11.120
114 1HN NH2 12 1HN NH2 12 -9.528 -12.817 -1.672
115 2HN NH2 12 2HN NH2 12 -9.099 -11.234 -2.498
116 1H2 DAO 13 1H2 DAO 13 0.130 0.757 1.526
117 2H2 DAO 13 2H2 DAO 13 -1.205 1.179 0.465
118 1H3 DAO 13 1H3 DAO 13 -2.098 -0.422 2.083
119 2H3 DAO 13 2H3 DAO 13 -2.018 -1.209 0.526
120 1H4 DAO 13 1H4 DAO 13 -1.199 -2.882 1.862
121 2H4 DAO 13 2H4 DAO 13 0.293 -2.200 1.296
122 1H5 DAO 13 1H5 DAO 13 -0.794 -1.143 3.956
123 2H5 DAO 13 2H5 DAO 13 0.874 -1.261 3.400
124 1H6 DAO 13 1H6 DAO 13 -1.008 -3.559 4.261
125 2H6 DAO 13 2H6 DAO 13 0.542 -3.887 3.500
126 1H7 DAO 13 1H7 DAO 13 1.798 -2.848 5.328
127 2H7 DAO 13 2H7 DAO 13 0.337 -2.190 6.069
128 1H8 DAO 13 1H8 DAO 13 -0.522 -4.437 6.612
129 2H8 DAO 13 2H8 DAO 13 0.769 -5.231 5.718
130 1H9 DAO 13 1H9 DAO 13 1.389 -3.378 8.114
131 2H9 DAO 13 2H9 DAO 13 2.486 -4.452 7.270
132 1H10 DAO 13 1H10 DAO 13 0.652 -6.364 8.055
133 2H10 DAO 13 2H10 DAO 13 2.053 -5.891 8.980
134 1H11 DAO 13 1H11 DAO 13 0.215 -5.942 10.513
135 2H11 DAO 13 2H11 DAO 13 0.708 -4.267 10.342
136 1H12 DAO 13 1H12 DAO 13 -1.802 -4.501 10.371
137 2H12 DAO 13 2H12 DAO 13 -1.277 -3.830 8.813
138 3H12 DAO 13 3H12 DAO 13 -1.749 -5.546 8.931
Start of MODEL 13
1 1H PHE 1 1H PHE 1 1.354 0.935 0.690
2 HA PHE 1 HA PHE 1 1.552 1.205 -2.258
3 1HB PHE 1 1HB PHE 1 3.992 1.382 -1.757
4 2HB PHE 1 2HB PHE 1 3.031 2.611 -0.989
5 HD1 PHE 1 HD1 PHE 1 4.994 -0.526 -0.284
6 HD2 PHE 1 HD2 PHE 1 3.080 2.928 1.423
7 HE1 PHE 1 HE1 PHE 1 6.041 -1.008 1.894
8 HE2 PHE 1 HE2 PHE 1 4.139 2.436 3.588
9 HZ PHE 1 HZ PHE 1 5.614 0.468 3.832
10 H GLN 2 H GLN 2 1.420 -1.345 -0.033
11 HA GLN 2 HA GLN 2 3.127 -3.363 -1.430
12 1HB GLN 2 1HB GLN 2 1.892 -4.920 0.189
13 2HB GLN 2 2HB GLN 2 3.027 -3.772 0.845
14 1HG GLN 2 1HG GLN 2 1.218 -2.296 1.683
15 2HG GLN 2 2HG GLN 2 -0.014 -3.238 0.874
16 1HE2 GLN 2 1HE2 GLN 2 2.527 -3.510 3.395
17 2HE2 GLN 2 2HE2 GLN 2 1.527 -4.696 4.392
18 H TRP 3 H TRP 3 -0.201 -2.253 -1.655
19 HA TRP 3 HA TRP 3 -0.529 -3.809 -4.170
20 1HB TRP 3 1HB TRP 3 -2.741 -4.910 -3.258
21 2HB TRP 3 2HB TRP 3 -1.198 -5.632 -2.994
22 HD1 TRP 3 HD1 TRP 3 -0.896 -6.596 -0.699
23 HE1 TRP 3 HE1 TRP 3 -2.048 -6.492 1.695
24 HE3 TRP 3 HE3 TRP 3 -3.491 -2.318 -1.469
25 HZ2 TRP 3 HZ2 TRP 3 -4.142 -4.887 2.752
26 HZ3 TRP 3 HZ3 TRP 3 -5.143 -1.596 0.170
27 HH2 TRP 3 HH2 TRP 3 -5.432 -2.821 2.303
28 H GLN 4 H GLN 4 -0.718 -0.922 -3.482
29 HA GLN 4 HA GLN 4 -3.366 -0.005 -3.473
30 1HB GLN 4 1HB GLN 4 -2.609 2.147 -3.872
31 2HB GLN 4 2HB GLN 4 -1.304 1.350 -3.053
32 1HG GLN 4 1HG GLN 4 -1.453 2.246 -5.999
33 2HG GLN 4 2HG GLN 4 -0.451 2.894 -4.731
34 1HE2 GLN 4 1HE2 GLN 4 -0.840 0.256 -6.845
35 2HE2 GLN 4 2HE2 GLN 4 0.867 -0.385 -6.727
36 H ARG 5 H ARG 5 -2.166 -1.457 -6.203
37 HA ARG 5 HA ARG 5 -4.812 -0.985 -7.609
38 1HB ARG 5 1HB ARG 5 -2.019 -0.635 -8.871
39 2HB ARG 5 2HB ARG 5 -3.278 -1.198 -9.875
40 1HG ARG 5 1HG ARG 5 -3.416 1.481 -8.324
41 2HG ARG 5 2HG ARG 5 -2.853 1.281 -9.959
42 1HD ARG 5 1HD ARG 5 -5.030 2.034 -10.321
43 2HD ARG 5 2HD ARG 5 -5.175 0.292 -10.590
44 HE ARG 5 HE ARG 5 -5.740 1.043 -7.745
45 1HH1 ARG 5 1HH1 ARG 5 -7.242 1.067 -10.889
46 2HH1 ARG 5 2HH1 ARG 5 -8.918 0.897 -10.177
47 1HH2 ARG 5 1HH2 ARG 5 -7.657 0.863 -6.973
48 2HH2 ARG 5 2HH2 ARG 5 -9.121 0.791 -8.056
49 H ASN 6 H ASN 6 -3.724 -3.220 -5.912
50 HA ASN 6 HA ASN 6 -4.315 -5.549 -7.822
51 1HB ASN 6 1HB ASN 6 -1.709 -5.040 -6.241
52 2HB ASN 6 2HB ASN 6 -2.169 -6.641 -6.714
53 1HD2 ASN 6 1HD2 ASN 6 -0.079 -4.509 -7.679
54 2HD2 ASN 6 2HD2 ASN 6 -0.142 -4.892 -9.474
55 H ILE 7 H ILE 7 -6.348 -5.543 -6.409
56 HA ILE 7 HA ILE 7 -5.812 -7.349 -4.003
57 HB ILE 7 HB ILE 7 -8.407 -6.027 -3.617
58 1HG1 ILE 7 1HG1 ILE 7 -7.387 -4.020 -4.654
59 2HG1 ILE 7 2HG1 ILE 7 -7.981 -3.853 -3.013
60 1HG2 ILE 7 1HG2 ILE 7 -7.562 -5.809 -1.293
61 2HG2 ILE 7 2HG2 ILE 7 -7.271 -7.446 -1.936
62 3HG2 ILE 7 3HG2 ILE 7 -5.933 -6.288 -1.822
63 1HD1 ILE 7 1HD1 ILE 7 -4.988 -4.286 -3.622
64 2HD1 ILE 7 2HD1 ILE 7 -5.733 -2.684 -3.403
65 3HD1 ILE 7 3HD1 ILE 7 -5.719 -3.873 -2.075
66 H ARG 8 H ARG 8 -8.641 -6.616 -6.110
67 HA ARG 8 HA ARG 8 -9.572 -9.456 -5.643
68 1HB ARG 8 1HB ARG 8 -10.970 -7.319 -7.335
69 2HB ARG 8 2HB ARG 8 -11.578 -8.907 -6.928
70 1HG ARG 8 1HG ARG 8 -10.943 -7.770 -4.369
71 2HG ARG 8 2HG ARG 8 -11.542 -6.403 -5.255
72 1HD ARG 8 1HD ARG 8 -13.041 -9.091 -4.862
73 2HD ARG 8 2HD ARG 8 -13.221 -7.657 -3.841
74 HE ARG 8 HE ARG 8 -13.751 -6.890 -6.633
75 1HH1 ARG 8 1HH1 ARG 8 -15.252 -8.559 -3.966
76 2HH1 ARG 8 2HH1 ARG 8 -16.933 -8.190 -4.582
77 1HH2 ARG 8 1HH2 ARG 8 -15.688 -6.493 -7.306
78 2HH2 ARG 8 2HH2 ARG 8 -17.141 -7.081 -6.383
79 H LYS 9 H LYS 9 -7.919 -7.722 -8.116
80 HA LYS 9 HA LYS 9 -7.688 -10.046 -9.966
81 1HB LYS 9 1HB LYS 9 -6.003 -8.802 -11.154
82 2HB LYS 9 2HB LYS 9 -7.390 -7.792 -10.850
83 1HG LYS 9 1HG LYS 9 -5.969 -6.824 -8.772
84 2HG LYS 9 2HG LYS 9 -4.626 -7.680 -9.472
85 1HD LYS 9 1HD LYS 9 -4.355 -5.550 -10.317
86 2HD LYS 9 2HD LYS 9 -5.019 -6.397 -11.695
87 1HE LYS 9 1HE LYS 9 -7.266 -5.358 -11.364
88 2HE LYS 9 2HE LYS 9 -6.827 -4.775 -9.750
89 1HZ LYS 9 1HZ LYS 9 -5.396 -3.873 -12.247
90 2HZ LYS 9 2HZ LYS 9 -6.536 -2.968 -11.463
91 3HZ LYS 9 3HZ LYS 9 -5.110 -3.358 -10.710
92 H VAL 10 H VAL 10 -5.715 -8.884 -7.182
93 HA VAL 10 HA VAL 10 -3.941 -11.388 -7.435
94 HB VAL 10 HB VAL 10 -3.385 -8.792 -5.882
95 1HG1 VAL 10 1HG1 VAL 10 -2.453 -10.775 -4.604
96 2HG1 VAL 10 2HG1 VAL 10 -1.632 -11.356 -6.068
97 3HG1 VAL 10 3HG1 VAL 10 -1.153 -9.816 -5.315
98 1HG2 VAL 10 1HG2 VAL 10 -2.861 -8.568 -8.346
99 2HG2 VAL 10 2HG2 VAL 10 -1.343 -8.682 -7.450
100 3HG2 VAL 10 3HG2 VAL 10 -1.956 -10.093 -8.336
101 H ARG 11 H ARG 11 -5.924 -12.406 -6.904
102 HA ARG 11 HA ARG 11 -7.418 -11.749 -4.524
103 1HB ARG 11 1HB ARG 11 -8.142 -12.717 -6.859
104 2HB ARG 11 2HB ARG 11 -7.817 -14.301 -6.189
105 1HG ARG 11 1HG ARG 11 -9.501 -13.694 -4.284
106 2HG ARG 11 2HG ARG 11 -9.847 -12.200 -5.141
107 1HD ARG 11 1HD ARG 11 -10.263 -15.057 -6.253
108 2HD ARG 11 2HD ARG 11 -11.531 -14.091 -5.564
109 HE ARG 11 HE ARG 11 -10.127 -13.617 -8.246
110 1HH1 ARG 11 1HH1 ARG 11 -12.586 -12.484 -6.078
111 2HH1 ARG 11 2HH1 ARG 11 -13.405 -11.515 -7.402
112 1HH2 ARG 11 1HH2 ARG 11 -11.047 -12.505 -9.698
113 2HH2 ARG 11 2HH2 ARG 11 -12.538 -11.522 -9.355
114 1HN NH2 12 1HN NH2 12 -5.589 -15.149 -3.136
115 2HN NH2 12 2HN NH2 12 -5.276 -14.653 -4.881
116 1H2 DAO 13 1H2 DAO 13 -1.477 1.840 0.915
117 2H2 DAO 13 2H2 DAO 13 -2.683 1.123 -0.140
118 1H3 DAO 13 1H3 DAO 13 -3.156 0.455 2.179
119 2H3 DAO 13 2H3 DAO 13 -2.728 -0.966 1.250
120 1H4 DAO 13 1H4 DAO 13 -0.724 -1.340 2.298
121 2H4 DAO 13 2H4 DAO 13 -0.442 0.345 2.698
122 1H5 DAO 13 1H5 DAO 13 -2.289 0.198 4.482
123 2H5 DAO 13 2H5 DAO 13 -0.819 -0.712 4.789
124 1H6 DAO 13 1H6 DAO 13 -3.408 -1.969 3.676
125 2H6 DAO 13 2H6 DAO 13 -1.908 -2.830 3.969
126 1H7 DAO 13 1H7 DAO 13 -3.114 -3.325 5.908
127 2H7 DAO 13 2H7 DAO 13 -2.086 -2.023 6.473
128 1H8 DAO 13 1H8 DAO 13 -4.097 -0.397 6.047
129 2H8 DAO 13 2H8 DAO 13 -5.043 -1.802 5.597
130 1H9 DAO 13 1H9 DAO 13 -4.322 -2.774 7.996
131 2H9 DAO 13 2H9 DAO 13 -5.682 -1.703 7.822
132 1H10 DAO 13 1H10 DAO 13 -3.919 -1.238 9.735
133 2H10 DAO 13 2H10 DAO 13 -2.877 -0.611 8.479
134 1H11 DAO 13 1H11 DAO 13 -3.958 1.313 9.386
135 2H11 DAO 13 2H11 DAO 13 -4.784 1.063 7.857
136 1H12 DAO 13 1H12 DAO 13 -6.722 -0.062 9.111
137 2H12 DAO 13 2H12 DAO 13 -5.851 0.183 10.645
138 3H12 DAO 13 3H12 DAO 13 -6.418 1.583 9.707
Start of MODEL 14
1 1H PHE 1 1H PHE 1 1.601 0.754 0.619
2 HA PHE 1 HA PHE 1 1.654 1.141 -2.321
3 1HB PHE 1 1HB PHE 1 4.145 1.288 -1.854
4 2HB PHE 1 2HB PHE 1 3.169 2.494 -1.074
5 HD1 PHE 1 HD1 PHE 1 3.245 2.834 1.313
6 HD2 PHE 1 HD2 PHE 1 5.100 -0.672 -0.352
7 HE1 PHE 1 HE1 PHE 1 4.246 2.320 3.498
8 HE2 PHE 1 HE2 PHE 1 6.093 -1.175 1.849
9 HZ PHE 1 HZ PHE 1 5.663 0.315 3.775
10 H GLN 2 H GLN 2 1.645 -1.563 -0.260
11 HA GLN 2 HA GLN 2 3.317 -3.408 -1.938
12 1HB GLN 2 1HB GLN 2 2.317 -5.140 -0.353
13 2HB GLN 2 2HB GLN 2 3.474 -4.003 0.288
14 1HG GLN 2 1HG GLN 2 1.722 -2.696 1.440
15 2HG GLN 2 2HG GLN 2 0.439 -3.597 0.663
16 1HE2 GLN 2 1HE2 GLN 2 3.154 -3.942 2.981
17 2HE2 GLN 2 2HE2 GLN 2 2.329 -5.330 3.869
18 H TRP 3 H TRP 3 -0.056 -2.415 -1.774
19 HA TRP 3 HA TRP 3 -0.507 -3.762 -4.386
20 1HB TRP 3 1HB TRP 3 -2.621 -5.037 -3.500
21 2HB TRP 3 2HB TRP 3 -1.034 -5.713 -3.352
22 HD1 TRP 3 HD1 TRP 3 -0.559 -6.836 -1.186
23 HE1 TRP 3 HE1 TRP 3 -1.360 -6.815 1.347
24 HE3 TRP 3 HE3 TRP 3 -3.583 -2.794 -1.569
25 HZ2 TRP 3 HZ2 TRP 3 -3.362 -5.336 2.719
26 HZ3 TRP 3 HZ3 TRP 3 -4.879 -2.079 0.357
27 HH2 TRP 3 HH2 TRP 3 -4.783 -3.318 2.506
28 H GLN 4 H GLN 4 -0.668 -0.986 -3.504
29 HA GLN 4 HA GLN 4 -3.300 -0.111 -3.173
30 1HB GLN 4 1HB GLN 4 -2.608 2.073 -3.425
31 2HB GLN 4 2HB GLN 4 -1.217 1.229 -2.835
32 1HG GLN 4 1HG GLN 4 -1.685 2.448 -5.614
33 2HG GLN 4 2HG GLN 4 -0.519 2.921 -4.410
34 1HE2 GLN 4 1HE2 GLN 4 -1.226 0.647 -6.773
35 2HE2 GLN 4 2HE2 GLN 4 0.426 -0.103 -6.950
36 H ARG 5 H ARG 5 -2.299 -1.230 -6.204
37 HA ARG 5 HA ARG 5 -5.171 -0.839 -7.154
38 1HB ARG 5 1HB ARG 5 -2.633 -0.375 -8.870
39 2HB ARG 5 2HB ARG 5 -4.149 -0.765 -9.581
40 1HG ARG 5 1HG ARG 5 -5.094 1.306 -8.094
41 2HG ARG 5 2HG ARG 5 -3.423 1.800 -8.076
42 1HD ARG 5 1HD ARG 5 -5.169 1.265 -10.580
43 2HD ARG 5 2HD ARG 5 -4.806 2.862 -9.906
44 HE ARG 5 HE ARG 5 -2.242 1.637 -10.424
45 1HH1 ARG 5 1HH1 ARG 5 -4.980 2.644 -12.325
46 2HH1 ARG 5 2HH1 ARG 5 -3.964 2.879 -13.828
47 1HH2 ARG 5 1HH2 ARG 5 -1.101 1.949 -12.154
48 2HH2 ARG 5 2HH2 ARG 5 -1.871 2.499 -13.709
49 H ASN 6 H ASN 6 -3.779 -3.162 -5.795
50 HA ASN 6 HA ASN 6 -4.544 -5.319 -7.857
51 1HB ASN 6 1HB ASN 6 -1.835 -5.142 -6.390
52 2HB ASN 6 2HB ASN 6 -2.406 -6.584 -7.190
53 1HD2 ASN 6 1HD2 ASN 6 -0.196 -4.413 -7.733
54 2HD2 ASN 6 2HD2 ASN 6 -0.371 -4.300 -9.560
55 H ILE 7 H ILE 7 -6.407 -5.185 -6.235
56 HA ILE 7 HA ILE 7 -5.940 -7.435 -4.222
57 HB ILE 7 HB ILE 7 -8.405 -6.147 -3.426
58 1HG1 ILE 7 1HG1 ILE 7 -7.493 -4.020 -4.393
59 2HG1 ILE 7 2HG1 ILE 7 -8.013 -4.019 -2.720
60 1HG2 ILE 7 1HG2 ILE 7 -7.326 -6.126 -1.190
61 2HG2 ILE 7 2HG2 ILE 7 -7.057 -7.679 -2.018
62 3HG2 ILE 7 3HG2 ILE 7 -5.749 -6.486 -1.924
63 1HD1 ILE 7 1HD1 ILE 7 -5.749 -4.026 -1.870
64 2HD1 ILE 7 2HD1 ILE 7 -5.028 -4.327 -3.453
65 3HD1 ILE 7 3HD1 ILE 7 -5.799 -2.753 -3.112
66 H ARG 8 H ARG 8 -8.180 -6.442 -6.694
67 HA ARG 8 HA ARG 8 -9.932 -8.864 -6.244
68 1HB ARG 8 1HB ARG 8 -9.983 -6.890 -8.580
69 2HB ARG 8 2HB ARG 8 -11.169 -8.134 -8.263
70 1HG ARG 8 1HG ARG 8 -10.642 -5.779 -6.322
71 2HG ARG 8 2HG ARG 8 -11.761 -5.683 -7.667
72 1HD ARG 8 1HD ARG 8 -13.119 -7.598 -6.709
73 2HD ARG 8 2HD ARG 8 -12.011 -7.680 -5.314
74 HE ARG 8 HE ARG 8 -12.779 -4.926 -5.417
75 1HH1 ARG 8 1HH1 ARG 8 -14.558 -7.886 -5.079
76 2HH1 ARG 8 2HH1 ARG 8 -15.903 -7.057 -4.151
77 1HH2 ARG 8 1HH2 ARG 8 -14.310 -4.017 -4.368
78 2HH2 ARG 8 2HH2 ARG 8 -15.743 -4.967 -3.777
79 H LYS 9 H LYS 9 -7.427 -7.801 -8.568
80 HA LYS 9 HA LYS 9 -7.235 -10.443 -9.886
81 1HB LYS 9 1HB LYS 9 -5.405 -9.672 -11.093
82 2HB LYS 9 2HB LYS 9 -6.515 -8.348 -11.023
83 1HG LYS 9 1HG LYS 9 -4.906 -6.916 -10.149
84 2HG LYS 9 2HG LYS 9 -4.621 -7.954 -8.797
85 1HD LYS 9 1HD LYS 9 -2.509 -7.887 -9.792
86 2HD LYS 9 2HD LYS 9 -3.119 -9.446 -10.313
87 1HE LYS 9 1HE LYS 9 -3.854 -8.302 -12.557
88 2HE LYS 9 2HE LYS 9 -3.117 -6.806 -11.971
89 1HZ LYS 9 1HZ LYS 9 -1.495 -8.123 -13.338
90 2HZ LYS 9 2HZ LYS 9 -0.942 -8.023 -11.793
91 3HZ LYS 9 3HZ LYS 9 -1.622 -9.414 -12.329
92 H VAL 10 H VAL 10 -5.635 -9.122 -7.031
93 HA VAL 10 HA VAL 10 -4.149 -11.785 -6.582
94 HB VAL 10 HB VAL 10 -3.697 -9.076 -5.185
95 1HG1 VAL 10 1HG1 VAL 10 -2.136 -11.733 -4.819
96 2HG1 VAL 10 2HG1 VAL 10 -1.722 -10.166 -4.084
97 3HG1 VAL 10 3HG1 VAL 10 -3.210 -10.989 -3.614
98 1HG2 VAL 10 1HG2 VAL 10 -1.828 -10.607 -7.145
99 2HG2 VAL 10 2HG2 VAL 10 -2.682 -9.089 -7.506
100 3HG2 VAL 10 3HG2 VAL 10 -1.417 -9.106 -6.270
101 H ARG 11 H ARG 11 -6.411 -12.522 -6.390
102 HA ARG 11 HA ARG 11 -8.168 -11.346 -4.405
103 1HB ARG 11 1HB ARG 11 -8.744 -12.631 -6.623
104 2HB ARG 11 2HB ARG 11 -8.764 -14.078 -5.648
105 1HG ARG 11 1HG ARG 11 -10.405 -12.620 -4.047
106 2HG ARG 11 2HG ARG 11 -10.506 -11.541 -5.440
107 1HD ARG 11 1HD ARG 11 -11.346 -13.557 -6.841
108 2HD ARG 11 2HD ARG 11 -11.263 -14.540 -5.360
109 HE ARG 11 HE ARG 11 -12.845 -11.971 -5.091
110 1HH1 ARG 11 1HH1 ARG 11 -13.115 -15.371 -5.778
111 2HH1 ARG 11 2HH1 ARG 11 -14.901 -15.379 -5.382
112 1HH2 ARG 11 1HH2 ARG 11 -14.865 -12.016 -4.669
113 2HH2 ARG 11 2HH2 ARG 11 -15.827 -13.554 -4.799
114 1HN NH2 12 1HN NH2 12 -7.360 -13.282 -1.496
115 2HN NH2 12 2HN NH2 12 -7.324 -11.607 -2.249
116 1H2 DAO 13 1H2 DAO 13 -0.775 1.282 1.538
117 2H2 DAO 13 2H2 DAO 13 -2.087 1.230 0.371
118 1H3 DAO 13 1H3 DAO 13 -2.782 -0.218 2.209
119 2H3 DAO 13 2H3 DAO 13 -2.403 -1.213 0.829
120 1H4 DAO 13 1H4 DAO 13 -1.248 -2.499 2.276
121 2H4 DAO 13 2H4 DAO 13 0.050 -1.352 2.013
122 1H5 DAO 13 1H5 DAO 13 -1.940 -1.370 4.370
123 2H5 DAO 13 2H5 DAO 13 -0.765 -0.073 4.126
124 1H6 DAO 13 1H6 DAO 13 0.092 -3.044 4.269
125 2H6 DAO 13 2H6 DAO 13 1.134 -1.636 4.286
126 1H7 DAO 13 1H7 DAO 13 1.110 -2.377 6.507
127 2H7 DAO 13 2H7 DAO 13 0.062 -0.970 6.564
128 1H8 DAO 13 1H8 DAO 13 -1.964 -2.371 6.722
129 2H8 DAO 13 2H8 DAO 13 -1.111 -3.794 6.155
130 1H9 DAO 13 1H9 DAO 13 0.308 -3.812 8.266
131 2H9 DAO 13 2H9 DAO 13 -1.393 -4.194 8.457
132 1H10 DAO 13 1H10 DAO 13 -0.236 -1.394 9.054
133 2H10 DAO 13 2H10 DAO 13 -1.900 -1.917 9.325
134 1H11 DAO 13 1H11 DAO 13 -0.996 -3.742 10.925
135 2H11 DAO 13 2H11 DAO 13 0.623 -3.080 10.697
136 1H12 DAO 13 1H12 DAO 13 -0.178 -0.834 11.641
137 2H12 DAO 13 2H12 DAO 13 -1.792 -1.548 11.902
138 3H12 DAO 13 3H12 DAO 13 -0.387 -2.173 12.795
Start of MODEL 15
1 1H PHE 1 1H PHE 1 2.250 0.313 0.372
2 HA PHE 1 HA PHE 1 2.196 0.959 -2.494
3 1HB PHE 1 1HB PHE 1 4.642 0.667 -2.223
4 2HB PHE 1 2HB PHE 1 3.950 1.835 -1.139
5 HD1 PHE 1 HD1 PHE 1 5.587 -1.516 -1.270
6 HD2 PHE 1 HD2 PHE 1 4.011 1.535 1.319
7 HE1 PHE 1 HE1 PHE 1 6.763 -2.523 0.650
8 HE2 PHE 1 HE2 PHE 1 5.180 0.514 3.226
9 HZ PHE 1 HZ PHE 1 6.558 -1.512 2.899
10 H GLN 2 H GLN 2 2.044 -2.037 -0.700
11 HA GLN 2 HA GLN 2 3.336 -3.776 -2.771
12 1HB GLN 2 1HB GLN 2 2.565 -5.613 -1.239
13 2HB GLN 2 2HB GLN 2 3.763 -4.517 -0.601
14 1HG GLN 2 1HG GLN 2 2.111 -3.372 0.834
15 2HG GLN 2 2HG GLN 2 0.767 -4.222 0.092
16 1HE2 GLN 2 1HE2 GLN 2 3.692 -4.734 2.083
17 2HE2 GLN 2 2HE2 GLN 2 2.965 -6.203 2.929
18 H TRP 3 H TRP 3 0.062 -2.774 -1.979
19 HA TRP 3 HA TRP 3 -0.788 -3.820 -4.634
20 1HB TRP 3 1HB TRP 3 -2.767 -5.186 -3.700
21 2HB TRP 3 2HB TRP 3 -1.159 -5.849 -3.654
22 HD1 TRP 3 HD1 TRP 3 -0.621 -7.099 -1.637
23 HE1 TRP 3 HE1 TRP 3 -1.249 -7.238 0.947
24 HE3 TRP 3 HE3 TRP 3 -3.509 -2.962 -1.546
25 HZ2 TRP 3 HZ2 TRP 3 -3.096 -5.774 2.550
26 HZ3 TRP 3 HZ3 TRP 3 -4.501 -2.244 0.520
27 HH2 TRP 3 HH2 TRP 3 -4.364 -3.651 2.574
28 H GLN 4 H GLN 4 -0.986 -1.227 -2.867
29 HA GLN 4 HA GLN 4 -3.329 0.002 -2.701
30 1HB GLN 4 1HB GLN 4 -2.335 2.065 -3.785
31 2HB GLN 4 2HB GLN 4 -1.382 1.303 -2.555
32 1HG GLN 4 1HG GLN 4 0.369 0.716 -3.950
33 2HG GLN 4 2HG GLN 4 -0.643 0.291 -5.292
34 1HE2 GLN 4 1HE2 GLN 4 -0.073 1.477 -6.962
35 2HE2 GLN 4 2HE2 GLN 4 0.391 3.247 -6.868
36 H ARG 5 H ARG 5 -2.410 -0.802 -6.025
37 HA ARG 5 HA ARG 5 -5.329 -0.371 -6.765
38 1HB ARG 5 1HB ARG 5 -3.335 1.302 -7.758
39 2HB ARG 5 2HB ARG 5 -3.236 0.066 -8.942
40 1HG ARG 5 1HG ARG 5 -5.449 2.082 -8.283
41 2HG ARG 5 2HG ARG 5 -4.651 1.778 -9.791
42 1HD ARG 5 1HD ARG 5 -6.824 1.047 -10.245
43 2HD ARG 5 2HD ARG 5 -5.978 -0.479 -9.942
44 HE ARG 5 HE ARG 5 -7.104 0.628 -7.420
45 1HH1 ARG 5 1HH1 ARG 5 -8.099 -1.080 -10.264
46 2HH1 ARG 5 2HH1 ARG 5 -9.532 -1.842 -9.410
47 1HH2 ARG 5 1HH2 ARG 5 -8.729 -0.227 -6.473
48 2HH2 ARG 5 2HH2 ARG 5 -9.847 -1.371 -7.339
49 H ASN 6 H ASN 6 -4.009 -2.813 -5.857
50 HA ASN 6 HA ASN 6 -4.647 -4.711 -8.192
51 1HB ASN 6 1HB ASN 6 -2.007 -4.503 -6.592
52 2HB ASN 6 2HB ASN 6 -2.379 -5.868 -7.594
53 1HD2 ASN 6 1HD2 ASN 6 -3.012 -5.167 -9.986
54 2HD2 ASN 6 2HD2 ASN 6 -1.820 -3.938 -10.648
55 H ILE 7 H ILE 7 -6.458 -4.677 -6.188
56 HA ILE 7 HA ILE 7 -5.786 -7.112 -4.492
57 HB ILE 7 HB ILE 7 -8.436 -6.034 -3.797
58 1HG1 ILE 7 1HG1 ILE 7 -7.480 -3.795 -4.344
59 2HG1 ILE 7 2HG1 ILE 7 -8.044 -4.034 -2.705
60 1HG2 ILE 7 1HG2 ILE 7 -7.486 -6.297 -1.490
61 2HG2 ILE 7 2HG2 ILE 7 -7.167 -7.745 -2.495
62 3HG2 ILE 7 3HG2 ILE 7 -5.872 -6.575 -2.181
63 1HD1 ILE 7 1HD1 ILE 7 -5.051 -4.301 -3.393
64 2HD1 ILE 7 2HD1 ILE 7 -5.794 -2.756 -2.888
65 3HD1 ILE 7 3HD1 ILE 7 -5.796 -4.162 -1.797
66 H ARG 8 H ARG 8 -7.963 -6.299 -7.050
67 HA ARG 8 HA ARG 8 -9.594 -8.794 -6.788
68 1HB ARG 8 1HB ARG 8 -10.603 -8.150 -8.960
69 2HB ARG 8 2HB ARG 8 -10.834 -7.002 -7.670
70 1HG ARG 8 1HG ARG 8 -9.551 -5.301 -8.673
71 2HG ARG 8 2HG ARG 8 -8.409 -6.410 -9.371
72 1HD ARG 8 1HD ARG 8 -9.464 -5.427 -11.236
73 2HD ARG 8 2HD ARG 8 -10.066 -7.089 -11.172
74 HE ARG 8 HE ARG 8 -12.023 -5.553 -9.727
75 1HH1 ARG 8 1HH1 ARG 8 -10.800 -5.604 -12.991
76 2HH1 ARG 8 2HH1 ARG 8 -12.367 -4.953 -13.669
77 1HH2 ARG 8 1HH2 ARG 8 -13.795 -4.804 -10.542
78 2HH2 ARG 8 2HH2 ARG 8 -13.964 -4.534 -12.332
79 H LYS 9 H LYS 9 -6.555 -8.062 -8.204
80 HA LYS 9 HA LYS 9 -6.490 -10.714 -9.626
81 1HB LYS 9 1HB LYS 9 -4.209 -10.421 -10.164
82 2HB LYS 9 2HB LYS 9 -5.128 -9.036 -10.705
83 1HG LYS 9 1HG LYS 9 -4.219 -7.608 -8.910
84 2HG LYS 9 2HG LYS 9 -3.475 -8.953 -8.089
85 1HD LYS 9 1HD LYS 9 -2.625 -7.924 -10.889
86 2HD LYS 9 2HD LYS 9 -1.896 -7.488 -9.373
87 1HE LYS 9 1HE LYS 9 -0.373 -9.119 -9.798
88 2HE LYS 9 2HE LYS 9 -1.547 -10.170 -9.031
89 1HZ LYS 9 1HZ LYS 9 -0.890 -11.104 -11.222
90 2HZ LYS 9 2HZ LYS 9 -2.459 -10.638 -11.365
91 3HZ LYS 9 3HZ LYS 9 -1.271 -9.718 -12.015
92 H VAL 10 H VAL 10 -5.741 -9.504 -6.418
93 HA VAL 10 HA VAL 10 -4.642 -12.255 -5.587
94 HB VAL 10 HB VAL 10 -4.299 -9.561 -4.133
95 1HG1 VAL 10 1HG1 VAL 10 -3.124 -12.341 -3.389
96 2HG1 VAL 10 2HG1 VAL 10 -2.784 -10.802 -2.563
97 3HG1 VAL 10 3HG1 VAL 10 -4.405 -11.492 -2.496
98 1HG2 VAL 10 1HG2 VAL 10 -2.153 -11.287 -5.575
99 2HG2 VAL 10 2HG2 VAL 10 -2.722 -9.676 -6.082
100 3HG2 VAL 10 3HG2 VAL 10 -1.823 -9.846 -4.576
101 H ARG 11 H ARG 11 -6.993 -12.805 -5.954
102 HA ARG 11 HA ARG 11 -9.042 -11.723 -4.129
103 1HB ARG 11 1HB ARG 11 -9.063 -14.193 -5.967
104 2HB ARG 11 2HB ARG 11 -10.397 -13.751 -4.942
105 1HG ARG 11 1HG ARG 11 -10.320 -11.370 -6.070
106 2HG ARG 11 2HG ARG 11 -9.301 -12.102 -7.287
107 1HD ARG 11 1HD ARG 11 -12.129 -13.105 -6.499
108 2HD ARG 11 2HD ARG 11 -11.821 -11.958 -7.811
109 HE ARG 11 HE ARG 11 -10.141 -14.170 -8.462
110 1HH1 ARG 11 1HH1 ARG 11 -13.567 -13.780 -7.973
111 2HH1 ARG 11 2HH1 ARG 11 -13.966 -15.136 -9.132
112 1HH2 ARG 11 1HH2 ARG 11 -10.634 -15.698 -9.785
113 2HH2 ARG 11 2HH2 ARG 11 -12.367 -16.153 -10.103
114 1HN NH2 12 1HN NH2 12 -8.336 -13.757 -1.219
115 2HN NH2 12 2HN NH2 12 -8.360 -12.060 -1.922
116 1H2 DAO 13 1H2 DAO 13 0.187 0.588 1.691
117 2H2 DAO 13 2H2 DAO 13 -1.176 1.107 0.713
118 1H3 DAO 13 1H3 DAO 13 -2.000 -0.596 2.301
119 2H3 DAO 13 2H3 DAO 13 -2.074 -1.222 0.671
120 1H4 DAO 13 1H4 DAO 13 -1.158 -3.065 1.582
121 2H4 DAO 13 2H4 DAO 13 0.331 -2.267 1.231
122 1H5 DAO 13 1H5 DAO 13 -0.203 -3.436 3.574
123 2H5 DAO 13 2H5 DAO 13 -0.949 -1.917 4.017
124 1H6 DAO 13 1H6 DAO 13 1.943 -2.102 2.930
125 2H6 DAO 13 2H6 DAO 13 1.233 -0.711 3.729
126 1H7 DAO 13 1H7 DAO 13 1.587 -3.475 5.087
127 2H7 DAO 13 2H7 DAO 13 2.870 -2.303 5.065
128 1H8 DAO 13 1H8 DAO 13 0.100 -1.616 6.235
129 2H8 DAO 13 2H8 DAO 13 1.295 -2.462 7.182
130 1H9 DAO 13 1H9 DAO 13 1.171 0.112 7.481
131 2H9 DAO 13 2H9 DAO 13 1.837 0.279 5.876
132 1H10 DAO 13 1H10 DAO 13 3.894 -1.103 6.679
133 2H10 DAO 13 2H10 DAO 13 3.734 0.521 7.292
134 1H11 DAO 13 1H11 DAO 13 2.783 -1.945 8.901
135 2H11 DAO 13 2H11 DAO 13 4.419 -1.320 8.975
136 1H12 DAO 13 1H12 DAO 13 3.080 -0.410 10.874
137 2H12 DAO 13 2H12 DAO 13 3.584 0.920 9.808
138 3H12 DAO 13 3H12 DAO 13 1.907 0.317 9.754
Start of MODEL 16
1 1H PHE 1 1H PHE 1 1.838 0.238 0.667
2 HA PHE 1 HA PHE 1 1.754 0.935 -2.218
3 1HB PHE 1 1HB PHE 1 4.206 1.058 -1.979
4 2HB PHE 1 2HB PHE 1 3.369 2.152 -0.913
5 HD1 PHE 1 HD1 PHE 1 5.494 -0.917 -1.011
6 HD2 PHE 1 HD2 PHE 1 3.576 1.960 1.546
7 HE1 PHE 1 HE1 PHE 1 6.809 -1.731 0.908
8 HE2 PHE 1 HE2 PHE 1 4.892 1.134 3.453
9 HZ PHE 1 HZ PHE 1 6.507 -0.712 3.141
10 H GLN 2 H GLN 2 1.832 -1.855 -0.317
11 HA GLN 2 HA GLN 2 3.276 -3.749 -2.115
12 1HB GLN 2 1HB GLN 2 2.220 -5.432 -0.564
13 2HB GLN 2 2HB GLN 2 3.351 -4.321 0.166
14 1HG GLN 2 1HG GLN 2 1.522 -2.991 1.205
15 2HG GLN 2 2HG GLN 2 0.296 -3.907 0.362
16 1HE2 GLN 2 1HE2 GLN 2 2.083 -3.729 3.245
17 2HE2 GLN 2 2HE2 GLN 2 1.593 -5.395 3.858
18 H TRP 3 H TRP 3 -0.034 -2.550 -1.833
19 HA TRP 3 HA TRP 3 -0.664 -3.809 -4.448
20 1HB TRP 3 1HB TRP 3 -2.746 -5.060 -3.509
21 2HB TRP 3 2HB TRP 3 -1.161 -5.757 -3.384
22 HD1 TRP 3 HD1 TRP 3 -0.798 -6.993 -1.303
23 HE1 TRP 3 HE1 TRP 3 -1.666 -7.095 1.211
24 HE3 TRP 3 HE3 TRP 3 -3.580 -2.763 -1.503
25 HZ2 TRP 3 HZ2 TRP 3 -3.617 -5.568 2.624
26 HZ3 TRP 3 HZ3 TRP 3 -4.965 -2.144 0.398
27 HH2 TRP 3 HH2 TRP 3 -4.974 -3.505 2.471
28 H GLN 4 H GLN 4 -0.763 -1.034 -3.381
29 HA GLN 4 HA GLN 4 -3.393 -0.130 -3.122
30 1HB GLN 4 1HB GLN 4 -2.673 2.050 -3.335
31 2HB GLN 4 2HB GLN 4 -1.306 1.192 -2.699
32 1HG GLN 4 1HG GLN 4 -1.678 2.349 -5.539
33 2HG GLN 4 2HG GLN 4 -0.636 2.946 -4.279
34 1HE2 GLN 4 1HE2 GLN 4 -0.981 0.537 -6.657
35 2HE2 GLN 4 2HE2 GLN 4 0.753 -0.056 -6.614
36 H ARG 5 H ARG 5 -2.337 -1.248 -6.090
37 HA ARG 5 HA ARG 5 -5.027 -0.484 -7.322
38 1HB ARG 5 1HB ARG 5 -2.868 0.637 -8.394
39 2HB ARG 5 2HB ARG 5 -2.445 -0.974 -8.921
40 1HG ARG 5 1HG ARG 5 -3.383 -0.061 -10.796
41 2HG ARG 5 2HG ARG 5 -4.746 -0.977 -10.222
42 1HD ARG 5 1HD ARG 5 -4.295 2.077 -9.878
43 2HD ARG 5 2HD ARG 5 -5.307 1.314 -11.112
44 HE ARG 5 HE ARG 5 -6.217 0.489 -8.421
45 1HH1 ARG 5 1HH1 ARG 5 -6.383 3.183 -10.612
46 2HH1 ARG 5 2HH1 ARG 5 -7.857 3.869 -9.774
47 1HH2 ARG 5 1HH2 ARG 5 -7.844 1.327 -7.452
48 2HH2 ARG 5 2HH2 ARG 5 -8.629 2.848 -8.071
49 H ASN 6 H ASN 6 -3.764 -3.074 -5.842
50 HA ASN 6 HA ASN 6 -4.681 -5.143 -7.948
51 1HB ASN 6 1HB ASN 6 -1.962 -5.019 -6.498
52 2HB ASN 6 2HB ASN 6 -2.534 -6.429 -7.353
53 1HD2 ASN 6 1HD2 ASN 6 -0.274 -4.411 -7.853
54 2HD2 ASN 6 2HD2 ASN 6 -0.485 -4.144 -9.662
55 H ILE 7 H ILE 7 -6.509 -5.102 -6.302
56 HA ILE 7 HA ILE 7 -5.949 -7.304 -4.252
57 HB ILE 7 HB ILE 7 -8.540 -6.048 -3.678
58 1HG1 ILE 7 1HG1 ILE 7 -7.531 -3.914 -4.480
59 2HG1 ILE 7 2HG1 ILE 7 -8.130 -3.953 -2.837
60 1HG2 ILE 7 1HG2 ILE 7 -6.012 -6.479 -1.990
61 2HG2 ILE 7 2HG2 ILE 7 -7.632 -6.092 -1.360
62 3HG2 ILE 7 3HG2 ILE 7 -7.337 -7.640 -2.203
63 1HD1 ILE 7 1HD1 ILE 7 -5.887 -4.020 -1.883
64 2HD1 ILE 7 2HD1 ILE 7 -5.123 -4.278 -3.458
65 3HD1 ILE 7 3HD1 ILE 7 -5.893 -2.712 -3.087
66 H ARG 8 H ARG 8 -8.375 -6.376 -6.625
67 HA ARG 8 HA ARG 8 -9.853 -8.959 -6.408
68 1HB ARG 8 1HB ARG 8 -11.129 -8.219 -8.351
69 2HB ARG 8 2HB ARG 8 -11.179 -7.119 -7.003
70 1HG ARG 8 1HG ARG 8 -10.375 -5.338 -8.221
71 2HG ARG 8 2HG ARG 8 -8.996 -6.231 -8.770
72 1HD ARG 8 1HD ARG 8 -10.043 -5.607 -10.764
73 2HD ARG 8 2HD ARG 8 -10.416 -7.332 -10.612
74 HE ARG 8 HE ARG 8 -12.621 -5.937 -9.359
75 1HH1 ARG 8 1HH1 ARG 8 -11.259 -6.094 -12.562
76 2HH1 ARG 8 2HH1 ARG 8 -12.836 -5.600 -13.345
77 1HH2 ARG 8 1HH2 ARG 8 -14.403 -5.359 -10.290
78 2HH2 ARG 8 2HH2 ARG 8 -14.517 -5.216 -12.100
79 H LYS 9 H LYS 9 -7.113 -7.844 -8.282
80 HA LYS 9 HA LYS 9 -6.997 -10.486 -9.719
81 1HB LYS 9 1HB LYS 9 -5.150 -9.841 -10.932
82 2HB LYS 9 2HB LYS 9 -6.252 -8.512 -11.006
83 1HG LYS 9 1HG LYS 9 -4.791 -7.013 -10.024
84 2HG LYS 9 2HG LYS 9 -4.243 -8.109 -8.793
85 1HD LYS 9 1HD LYS 9 -3.253 -8.065 -11.723
86 2HD LYS 9 2HD LYS 9 -2.447 -7.386 -10.347
87 1HE LYS 9 1HE LYS 9 -1.268 -9.299 -10.088
88 2HE LYS 9 2HE LYS 9 -2.711 -10.022 -9.404
89 1HZ LYS 9 1HZ LYS 9 -3.339 -10.752 -11.737
90 2HZ LYS 9 2HZ LYS 9 -1.961 -10.099 -12.336
91 3HZ LYS 9 3HZ LYS 9 -1.885 -11.377 -11.306
92 H VAL 10 H VAL 10 -5.676 -9.154 -6.761
93 HA VAL 10 HA VAL 10 -4.031 -11.723 -6.315
94 HB VAL 10 HB VAL 10 -3.761 -9.053 -4.820
95 1HG1 VAL 10 1HG1 VAL 10 -2.058 -11.631 -4.540
96 2HG1 VAL 10 2HG1 VAL 10 -1.755 -10.080 -3.719
97 3HG1 VAL 10 3HG1 VAL 10 -3.203 -11.008 -3.332
98 1HG2 VAL 10 1HG2 VAL 10 -1.465 -8.884 -5.827
99 2HG2 VAL 10 2HG2 VAL 10 -1.755 -10.347 -6.803
100 3HG2 VAL 10 3HG2 VAL 10 -2.696 -8.861 -7.092
101 H ARG 11 H ARG 11 -6.271 -12.551 -6.222
102 HA ARG 11 HA ARG 11 -8.088 -11.612 -4.137
103 1HB ARG 11 1HB ARG 11 -8.262 -13.393 -6.494
104 2HB ARG 11 2HB ARG 11 -9.082 -14.158 -5.166
105 1HG ARG 11 1HG ARG 11 -10.512 -12.176 -4.766
106 2HG ARG 11 2HG ARG 11 -9.596 -11.224 -5.939
107 1HD ARG 11 1HD ARG 11 -10.289 -12.728 -7.806
108 2HD ARG 11 2HD ARG 11 -11.194 -13.769 -6.677
109 HE ARG 11 HE ARG 11 -12.249 -11.163 -6.186
110 1HH1 ARG 11 1HH1 ARG 11 -12.056 -13.210 -8.986
111 2HH1 ARG 11 2HH1 ARG 11 -13.602 -12.534 -9.692
112 1HH2 ARG 11 1HH2 ARG 11 -14.012 -10.427 -6.996
113 2HH2 ARG 11 2HH2 ARG 11 -14.643 -11.030 -8.594
114 1HN NH2 12 1HN NH2 12 -6.692 -15.011 -2.322
115 2HN NH2 12 2HN NH2 12 -6.209 -14.729 -4.077
116 1H2 DAO 13 1H2 DAO 13 -0.648 1.088 1.526
117 2H2 DAO 13 2H2 DAO 13 -1.966 0.984 0.370
118 1H3 DAO 13 1H3 DAO 13 -2.596 -0.342 2.308
119 2H3 DAO 13 2H3 DAO 13 -2.347 -1.414 0.959
120 1H4 DAO 13 1H4 DAO 13 -0.849 -2.666 2.075
121 2H4 DAO 13 2H4 DAO 13 0.211 -1.294 2.331
122 1H5 DAO 13 1H5 DAO 13 -1.195 -0.653 4.380
123 2H5 DAO 13 2H5 DAO 13 -0.233 -2.114 4.522
124 1H6 DAO 13 1H6 DAO 13 -3.197 -2.261 3.691
125 2H6 DAO 13 2H6 DAO 13 -2.147 -3.588 4.146
126 1H7 DAO 13 1H7 DAO 13 -3.591 -3.173 6.019
127 2H7 DAO 13 2H7 DAO 13 -2.003 -2.603 6.519
128 1H8 DAO 13 1H8 DAO 13 -2.674 -0.227 6.016
129 2H8 DAO 13 2H8 DAO 13 -4.215 -0.769 5.361
130 1H9 DAO 13 1H9 DAO 13 -3.385 -1.309 8.277
131 2H9 DAO 13 2H9 DAO 13 -4.987 -1.537 7.588
132 1H10 DAO 13 1H10 DAO 13 -4.723 0.562 9.001
133 2H10 DAO 13 2H10 DAO 13 -3.511 1.169 7.886
134 1H11 DAO 13 1H11 DAO 13 -5.315 1.161 6.024
135 2H11 DAO 13 2H11 DAO 13 -6.497 0.657 7.231
136 1H12 DAO 13 1H12 DAO 13 -6.033 2.803 8.552
137 2H12 DAO 13 2H12 DAO 13 -4.840 3.286 7.316
138 3H12 DAO 13 3H12 DAO 13 -6.560 3.150 6.887
Start of MODEL 17
1 1H PHE 1 1H PHE 1 1.843 0.510 0.701
2 HA PHE 1 HA PHE 1 1.887 1.073 -2.209
3 1HB PHE 1 1HB PHE 1 4.363 1.116 -1.849
4 2HB PHE 1 2HB PHE 1 3.479 2.312 -0.951
5 HD1 PHE 1 HD1 PHE 1 5.335 -0.947 -0.546
6 HD2 PHE 1 HD2 PHE 1 3.676 2.478 1.458
7 HE1 PHE 1 HE1 PHE 1 6.454 -1.615 1.546
8 HE2 PHE 1 HE2 PHE 1 4.804 1.802 3.536
9 HZ PHE 1 HZ PHE 1 6.187 -0.245 3.589
10 H GLN 2 H GLN 2 1.759 -1.670 -0.261
11 HA GLN 2 HA GLN 2 3.305 -3.601 -1.940
12 1HB GLN 2 1HB GLN 2 2.129 -5.258 -0.368
13 2HB GLN 2 2HB GLN 2 3.352 -4.208 0.298
14 1HG GLN 2 1HG GLN 2 1.640 -2.743 1.376
15 2HG GLN 2 2HG GLN 2 0.342 -3.604 0.585
16 1HE2 GLN 2 1HE2 GLN 2 3.077 -4.177 2.860
17 2HE2 GLN 2 2HE2 GLN 2 2.094 -5.378 3.856
18 H TRP 3 H TRP 3 -0.027 -2.432 -1.789
19 HA TRP 3 HA TRP 3 -0.552 -3.715 -4.410
20 1HB TRP 3 1HB TRP 3 -2.644 -5.016 -3.531
21 2HB TRP 3 2HB TRP 3 -1.050 -5.687 -3.407
22 HD1 TRP 3 HD1 TRP 3 -0.653 -6.939 -1.319
23 HE1 TRP 3 HE1 TRP 3 -1.513 -7.045 1.207
24 HE3 TRP 3 HE3 TRP 3 -3.539 -2.773 -1.511
25 HZ2 TRP 3 HZ2 TRP 3 -3.463 -5.553 2.632
26 HZ3 TRP 3 HZ3 TRP 3 -4.901 -2.162 0.412
27 HH2 TRP 3 HH2 TRP 3 -4.857 -3.509 2.493
28 H GLN 4 H GLN 4 -0.764 -0.956 -3.320
29 HA GLN 4 HA GLN 4 -3.399 -0.108 -3.120
30 1HB GLN 4 1HB GLN 4 -2.734 2.090 -3.334
31 2HB GLN 4 2HB GLN 4 -1.350 1.273 -2.686
32 1HG GLN 4 1HG GLN 4 -1.725 2.373 -5.551
33 2HG GLN 4 2HG GLN 4 -0.738 3.048 -4.283
34 1HE2 GLN 4 1HE2 GLN 4 -0.948 0.461 -6.535
35 2HE2 GLN 4 2HE2 GLN 4 0.833 0.029 -6.473
36 H ARG 5 H ARG 5 -2.357 -1.253 -6.074
37 HA ARG 5 HA ARG 5 -5.101 -0.645 -7.193
38 1HB ARG 5 1HB ARG 5 -2.609 0.397 -8.421
39 2HB ARG 5 2HB ARG 5 -3.206 -0.818 -9.466
40 1HG ARG 5 1HG ARG 5 -4.588 1.751 -8.523
41 2HG ARG 5 2HG ARG 5 -4.044 1.355 -10.135
42 1HD ARG 5 1HD ARG 5 -6.574 0.367 -8.697
43 2HD ARG 5 2HD ARG 5 -6.436 1.335 -10.161
44 HE ARG 5 HE ARG 5 -5.334 -1.532 -10.137
45 1HH1 ARG 5 1HH1 ARG 5 -7.922 0.541 -11.219
46 2HH1 ARG 5 2HH1 ARG 5 -8.532 -0.716 -12.399
47 1HH2 ARG 5 1HH2 ARG 5 -5.989 -2.874 -11.533
48 2HH2 ARG 5 2HH2 ARG 5 -7.468 -2.569 -12.559
49 H ASN 6 H ASN 6 -3.793 -3.064 -5.876
50 HA ASN 6 HA ASN 6 -4.598 -5.167 -7.976
51 1HB ASN 6 1HB ASN 6 -1.846 -4.941 -6.585
52 2HB ASN 6 2HB ASN 6 -2.408 -6.424 -7.299
53 1HD2 ASN 6 1HD2 ASN 6 -0.323 -4.146 -8.035
54 2HD2 ASN 6 2HD2 ASN 6 -0.560 -4.160 -9.858
55 H ILE 7 H ILE 7 -6.434 -5.150 -6.330
56 HA ILE 7 HA ILE 7 -5.829 -7.359 -4.301
57 HB ILE 7 HB ILE 7 -8.393 -6.159 -3.601
58 1HG1 ILE 7 1HG1 ILE 7 -7.474 -3.996 -4.453
59 2HG1 ILE 7 2HG1 ILE 7 -8.036 -4.053 -2.796
60 1HG2 ILE 7 1HG2 ILE 7 -7.095 -7.713 -2.167
61 2HG2 ILE 7 2HG2 ILE 7 -5.796 -6.517 -2.000
62 3HG2 ILE 7 3HG2 ILE 7 -7.400 -6.176 -1.318
63 1HD1 ILE 7 1HD1 ILE 7 -5.783 -4.046 -1.887
64 2HD1 ILE 7 2HD1 ILE 7 -5.033 -4.288 -3.471
65 3HD1 ILE 7 3HD1 ILE 7 -5.842 -2.741 -3.093
66 H ARG 8 H ARG 8 -8.334 -6.393 -6.631
67 HA ARG 8 HA ARG 8 -9.865 -8.942 -6.214
68 1HB ARG 8 1HB ARG 8 -10.158 -6.812 -8.399
69 2HB ARG 8 2HB ARG 8 -11.248 -8.165 -8.156
70 1HG ARG 8 1HG ARG 8 -12.071 -7.285 -5.990
71 2HG ARG 8 2HG ARG 8 -10.798 -6.101 -5.916
72 1HD ARG 8 1HD ARG 8 -12.598 -4.780 -6.536
73 2HD ARG 8 2HD ARG 8 -11.718 -4.988 -8.054
74 HE ARG 8 HE ARG 8 -13.871 -7.047 -7.671
75 1HH1 ARG 8 1HH1 ARG 8 -13.370 -3.762 -8.714
76 2HH1 ARG 8 2HH1 ARG 8 -14.955 -3.731 -9.626
77 1HH2 ARG 8 1HH2 ARG 8 -15.681 -6.962 -8.694
78 2HH2 ARG 8 2HH2 ARG 8 -16.183 -5.465 -9.597
79 H LYS 9 H LYS 9 -7.287 -7.901 -8.280
80 HA LYS 9 HA LYS 9 -7.207 -10.493 -9.789
81 1HB LYS 9 1HB LYS 9 -5.332 -9.732 -10.972
82 2HB LYS 9 2HB LYS 9 -6.449 -8.413 -10.915
83 1HG LYS 9 1HG LYS 9 -4.726 -7.040 -10.237
84 2HG LYS 9 2HG LYS 9 -4.794 -7.809 -8.683
85 1HD LYS 9 1HD LYS 9 -2.532 -8.024 -9.252
86 2HD LYS 9 2HD LYS 9 -3.155 -9.631 -9.597
87 1HE LYS 9 1HE LYS 9 -3.353 -8.916 -12.104
88 2HE LYS 9 2HE LYS 9 -2.665 -7.349 -11.665
89 1HZ LYS 9 1HZ LYS 9 -1.267 -9.999 -11.235
90 2HZ LYS 9 2HZ LYS 9 -0.884 -8.925 -12.418
91 3HZ LYS 9 3HZ LYS 9 -0.630 -8.542 -10.840
92 H VAL 10 H VAL 10 -5.745 -9.242 -6.816
93 HA VAL 10 HA VAL 10 -3.997 -11.746 -6.512
94 HB VAL 10 HB VAL 10 -3.971 -9.191 -4.803
95 1HG1 VAL 10 1HG1 VAL 10 -1.901 -10.179 -3.738
96 2HG1 VAL 10 2HG1 VAL 10 -3.312 -11.197 -3.438
97 3HG1 VAL 10 3HG1 VAL 10 -2.121 -11.682 -4.666
98 1HG2 VAL 10 1HG2 VAL 10 -1.669 -8.792 -5.732
99 2HG2 VAL 10 2HG2 VAL 10 -1.842 -10.190 -6.827
100 3HG2 VAL 10 3HG2 VAL 10 -2.883 -8.757 -7.014
101 H ARG 11 H ARG 11 -5.990 -12.811 -6.493
102 HA ARG 11 HA ARG 11 -8.267 -12.115 -5.171
103 1HB ARG 11 1HB ARG 11 -7.691 -14.040 -6.995
104 2HB ARG 11 2HB ARG 11 -7.743 -15.111 -5.634
105 1HG ARG 11 1HG ARG 11 -9.883 -15.209 -6.646
106 2HG ARG 11 2HG ARG 11 -10.173 -14.290 -5.172
107 1HD ARG 11 1HD ARG 11 -10.276 -12.148 -6.410
108 2HD ARG 11 2HD ARG 11 -9.547 -12.882 -7.847
109 HE ARG 11 HE ARG 11 -12.137 -14.184 -7.082
110 1HH1 ARG 11 1HH1 ARG 11 -10.763 -11.519 -8.882
111 2HH1 ARG 11 2HH1 ARG 11 -12.126 -11.566 -10.107
112 1HH2 ARG 11 1HH2 ARG 11 -13.670 -14.177 -8.479
113 2HH2 ARG 11 2HH2 ARG 11 -13.701 -12.987 -9.854
114 1HN NH2 12 1HN NH2 12 -7.068 -14.377 -1.958
115 2HN NH2 12 2HN NH2 12 -6.023 -14.389 -3.473
116 1H2 DAO 13 1H2 DAO 13 -0.696 1.221 1.507
117 2H2 DAO 13 2H2 DAO 13 -1.953 1.165 0.280
118 1H3 DAO 13 1H3 DAO 13 -2.796 -0.264 2.011
119 2H3 DAO 13 2H3 DAO 13 -2.254 -1.327 0.751
120 1H4 DAO 13 1H4 DAO 13 -0.999 -2.478 2.195
121 2H4 DAO 13 2H4 DAO 13 0.074 -1.124 2.382
122 1H5 DAO 13 1H5 DAO 13 -2.126 -0.483 4.142
123 2H5 DAO 13 2H5 DAO 13 -0.502 -0.957 4.584
124 1H6 DAO 13 1H6 DAO 13 -2.664 -3.045 3.912
125 2H6 DAO 13 2H6 DAO 13 -1.087 -3.355 4.623
126 1H7 DAO 13 1H7 DAO 13 -1.841 -1.929 6.678
127 2H7 DAO 13 2H7 DAO 13 -3.401 -1.762 5.902
128 1H8 DAO 13 1H8 DAO 13 -4.027 -3.612 7.027
129 2H8 DAO 13 2H8 DAO 13 -3.192 -4.545 5.818
130 1H9 DAO 13 1H9 DAO 13 -2.726 -5.221 8.170
131 2H9 DAO 13 2H9 DAO 13 -2.061 -3.661 8.567
132 1H10 DAO 13 1H10 DAO 13 -0.510 -5.785 8.003
133 2H10 DAO 13 2H10 DAO 13 -0.824 -5.397 6.330
134 1H11 DAO 13 1H11 DAO 13 1.296 -4.415 6.891
135 2H11 DAO 13 2H11 DAO 13 0.198 -3.060 6.735
136 1H12 DAO 13 1H12 DAO 13 1.704 -2.819 8.751
137 2H12 DAO 13 2H12 DAO 13 0.012 -2.917 9.279
138 3H12 DAO 13 3H12 DAO 13 1.076 -4.338 9.432
Start of MODEL 18
1 1H PHE 1 1H PHE 1 2.233 -0.501 0.776
2 HA PHE 1 HA PHE 1 2.164 0.730 -1.925
3 1HB PHE 1 1HB PHE 1 4.654 0.648 -1.693
4 2HB PHE 1 2HB PHE 1 3.851 1.612 -0.491
5 HD1 PHE 1 HD1 PHE 1 4.147 1.187 1.880
6 HD2 PHE 1 HD2 PHE 1 5.647 -1.666 -0.968
7 HE1 PHE 1 HE1 PHE 1 5.368 0.030 3.674
8 HE2 PHE 1 HE2 PHE 1 6.861 -2.817 0.843
9 HZ PHE 1 HZ PHE 1 6.721 -1.974 3.163
10 H GLN 2 H GLN 2 2.114 -2.406 -0.622
11 HA GLN 2 HA GLN 2 3.444 -3.864 -2.873
12 1HB GLN 2 1HB GLN 2 2.486 -5.863 -1.650
13 2HB GLN 2 2HB GLN 2 3.719 -4.958 -0.817
14 1HG GLN 2 1HG GLN 2 2.148 -3.945 0.732
15 2HG GLN 2 2HG GLN 2 0.743 -4.465 -0.183
16 1HE2 GLN 2 1HE2 GLN 2 1.460 -4.992 2.639
17 2HE2 GLN 2 2HE2 GLN 2 1.420 -6.831 2.742
18 H TRP 3 H TRP 3 0.164 -2.808 -2.094
19 HA TRP 3 HA TRP 3 -0.703 -3.582 -4.818
20 1HB TRP 3 1HB TRP 3 -2.645 -5.106 -3.989
21 2HB TRP 3 2HB TRP 3 -1.029 -5.723 -4.144
22 HD1 TRP 3 HD1 TRP 3 -0.425 -7.358 -2.403
23 HE1 TRP 3 HE1 TRP 3 -0.986 -7.966 0.122
24 HE3 TRP 3 HE3 TRP 3 -3.378 -3.329 -1.504
25 HZ2 TRP 3 HZ2 TRP 3 -2.725 -6.776 2.048
26 HZ3 TRP 3 HZ3 TRP 3 -4.465 -3.096 0.663
27 HH2 TRP 3 HH2 TRP 3 -4.143 -4.784 2.449
28 H GLN 4 H GLN 4 -0.810 -1.097 -3.135
29 HA GLN 4 HA GLN 4 -3.422 -0.370 -2.573
30 1HB GLN 4 1HB GLN 4 -2.814 1.851 -2.426
31 2HB GLN 4 2HB GLN 4 -1.377 0.968 -2.035
32 1HG GLN 4 1HG GLN 4 -1.965 2.578 -4.608
33 2HG GLN 4 2HG GLN 4 -0.907 3.027 -3.299
34 1HE2 GLN 4 1HE2 GLN 4 -1.232 0.841 -5.928
35 2HE2 GLN 4 2HE2 GLN 4 0.560 0.528 -6.125
36 H ARG 5 H ARG 5 -2.630 -0.900 -5.762
37 HA ARG 5 HA ARG 5 -5.455 -0.138 -6.527
38 1HB ARG 5 1HB ARG 5 -3.059 1.163 -7.707
39 2HB ARG 5 2HB ARG 5 -3.728 0.166 -8.922
40 1HG ARG 5 1HG ARG 5 -5.037 2.478 -7.390
41 2HG ARG 5 2HG ARG 5 -4.613 2.422 -9.083
42 1HD ARG 5 1HD ARG 5 -7.028 1.113 -7.697
43 2HD ARG 5 2HD ARG 5 -7.005 2.375 -8.923
44 HE ARG 5 HE ARG 5 -5.886 -0.396 -9.614
45 1HH1 ARG 5 1HH1 ARG 5 -8.582 1.784 -9.988
46 2HH1 ARG 5 2HH1 ARG 5 -9.266 0.820 -11.382
47 1HH2 ARG 5 1HH2 ARG 5 -6.634 -1.398 -11.245
48 2HH2 ARG 5 2HH2 ARG 5 -8.193 -0.906 -12.055
49 H ASN 6 H ASN 6 -4.061 -2.727 -5.786
50 HA ASN 6 HA ASN 6 -4.896 -4.452 -8.198
51 1HB ASN 6 1HB ASN 6 -2.060 -4.221 -6.981
52 2HB ASN 6 2HB ASN 6 -2.557 -5.625 -7.870
53 1HD2 ASN 6 1HD2 ASN 6 -1.167 -2.603 -8.318
54 2HD2 ASN 6 2HD2 ASN 6 -1.357 -2.617 -10.150
55 H ILE 7 H ILE 7 -6.506 -4.619 -6.139
56 HA ILE 7 HA ILE 7 -5.738 -7.243 -4.783
57 HB ILE 7 HB ILE 7 -8.310 -6.325 -3.754
58 1HG1 ILE 7 1HG1 ILE 7 -7.495 -3.996 -4.207
59 2HG1 ILE 7 2HG1 ILE 7 -7.993 -4.403 -2.589
60 1HG2 ILE 7 1HG2 ILE 7 -5.609 -6.878 -2.395
61 2HG2 ILE 7 2HG2 ILE 7 -7.180 -6.745 -1.571
62 3HG2 ILE 7 3HG2 ILE 7 -6.880 -8.071 -2.726
63 1HD1 ILE 7 1HD1 ILE 7 -5.006 -4.401 -3.384
64 2HD1 ILE 7 2HD1 ILE 7 -5.832 -2.972 -2.704
65 3HD1 ILE 7 3HD1 ILE 7 -5.697 -4.470 -1.757
66 H ARG 8 H ARG 8 -7.639 -6.325 -7.352
67 HA ARG 8 HA ARG 8 -9.642 -8.565 -7.204
68 1HB ARG 8 1HB ARG 8 -8.886 -6.728 -9.541
69 2HB ARG 8 2HB ARG 8 -10.087 -8.011 -9.624
70 1HG ARG 8 1HG ARG 8 -11.442 -6.953 -7.801
71 2HG ARG 8 2HG ARG 8 -10.311 -5.629 -7.673
72 1HD ARG 8 1HD ARG 8 -11.049 -4.549 -9.636
73 2HD ARG 8 2HD ARG 8 -11.247 -6.034 -10.512
74 HE ARG 8 HE ARG 8 -13.495 -6.346 -9.738
75 1HH1 ARG 8 1HH1 ARG 8 -12.114 -3.644 -8.047
76 2HH1 ARG 8 2HH1 ARG 8 -13.758 -3.046 -7.506
77 1HH2 ARG 8 1HH2 ARG 8 -15.343 -5.612 -9.161
78 2HH2 ARG 8 2HH2 ARG 8 -15.488 -4.133 -8.113
79 H LYS 9 H LYS 9 -6.356 -8.282 -8.263
80 HA LYS 9 HA LYS 9 -6.347 -11.004 -9.514
81 1HB LYS 9 1HB LYS 9 -4.066 -10.827 -9.967
82 2HB LYS 9 2HB LYS 9 -4.774 -9.277 -10.362
83 1HG LYS 9 1HG LYS 9 -3.829 -8.367 -8.101
84 2HG LYS 9 2HG LYS 9 -3.112 -9.943 -7.851
85 1HD LYS 9 1HD LYS 9 -1.358 -8.636 -8.627
86 2HD LYS 9 2HD LYS 9 -1.708 -9.703 -9.952
87 1HE LYS 9 1HE LYS 9 -3.039 -6.904 -9.905
88 2HE LYS 9 2HE LYS 9 -1.308 -6.959 -10.166
89 1HZ LYS 9 1HZ LYS 9 -1.657 -8.424 -12.121
90 2HZ LYS 9 2HZ LYS 9 -3.275 -8.484 -11.871
91 3HZ LYS 9 3HZ LYS 9 -2.563 -7.065 -12.308
92 H VAL 10 H VAL 10 -5.394 -9.656 -6.337
93 HA VAL 10 HA VAL 10 -4.956 -12.477 -5.218
94 HB VAL 10 HB VAL 10 -4.510 -9.786 -3.802
95 1HG1 VAL 10 1HG1 VAL 10 -3.637 -12.634 -2.929
96 2HG1 VAL 10 2HG1 VAL 10 -3.289 -11.113 -2.073
97 3HG1 VAL 10 3HG1 VAL 10 -4.952 -11.689 -2.193
98 1HG2 VAL 10 1HG2 VAL 10 -2.015 -10.315 -3.967
99 2HG2 VAL 10 2HG2 VAL 10 -2.392 -11.658 -5.073
100 3HG2 VAL 10 3HG2 VAL 10 -2.749 -9.978 -5.539
101 H ARG 11 H ARG 11 -7.228 -12.660 -5.894
102 HA ARG 11 HA ARG 11 -9.264 -10.971 -4.720
103 1HB ARG 11 1HB ARG 11 -9.127 -12.087 -7.049
104 2HB ARG 11 2HB ARG 11 -9.805 -13.529 -6.333
105 1HG ARG 11 1HG ARG 11 -11.875 -12.173 -5.631
106 2HG ARG 11 2HG ARG 11 -11.105 -10.719 -6.226
107 1HD ARG 11 1HD ARG 11 -12.609 -11.309 -7.960
108 2HD ARG 11 2HD ARG 11 -11.002 -11.730 -8.577
109 HE ARG 11 HE ARG 11 -12.321 -14.039 -7.199
110 1HH1 ARG 11 1HH1 ARG 11 -12.228 -12.359 -10.240
111 2HH1 ARG 11 2HH1 ARG 11 -12.902 -13.798 -11.149
112 1HH2 ARG 11 1HH2 ARG 11 -13.098 -15.652 -8.254
113 2HH2 ARG 11 2HH2 ARG 11 -13.365 -15.566 -10.052
114 1HN NH2 12 1HN NH2 12 -9.924 -14.388 -2.528
115 2HN NH2 12 2HN NH2 12 -8.656 -14.450 -3.859
116 1H2 DAO 13 1H2 DAO 13 -0.190 0.097 1.868
117 2H2 DAO 13 2H2 DAO 13 -1.517 0.277 0.730
118 1H3 DAO 13 1H3 DAO 13 -2.269 -1.572 2.021
119 2H3 DAO 13 2H3 DAO 13 -1.627 -2.312 0.593
120 1H4 DAO 13 1H4 DAO 13 -0.643 -3.713 2.113
121 2H4 DAO 13 2H4 DAO 13 0.650 -2.546 1.980
122 1H5 DAO 13 1H5 DAO 13 -0.249 -1.382 4.117
123 2H5 DAO 13 2H5 DAO 13 0.426 -2.981 4.297
124 1H6 DAO 13 1H6 DAO 13 -2.185 -3.766 3.940
125 2H6 DAO 13 2H6 DAO 13 -1.429 -3.485 5.493
126 1H7 DAO 13 1H7 DAO 13 -2.386 -1.283 5.760
127 2H7 DAO 13 2H7 DAO 13 -2.838 -1.164 4.079
128 1H8 DAO 13 1H8 DAO 13 -4.842 -1.519 5.270
129 2H8 DAO 13 2H8 DAO 13 -4.574 -2.976 4.353
130 1H9 DAO 13 1H9 DAO 13 -5.386 -3.014 6.921
131 2H9 DAO 13 2H9 DAO 13 -3.705 -2.771 7.311
132 1H10 DAO 13 1H10 DAO 13 -3.150 -4.932 6.011
133 2H10 DAO 13 2H10 DAO 13 -4.062 -5.129 7.485
134 1H11 DAO 13 1H11 DAO 13 -5.351 -5.132 4.672
135 2H11 DAO 13 2H11 DAO 13 -4.821 -6.568 5.529
136 1H12 DAO 13 1H12 DAO 13 -7.042 -4.654 6.527
137 2H12 DAO 13 2H12 DAO 13 -7.268 -6.281 5.849
138 3H12 DAO 13 3H12 DAO 13 -6.457 -6.083 7.419
Start of MODEL 19
1 1H PHE 1 1H PHE 1 1.808 0.319 0.767
2 HA PHE 1 HA PHE 1 1.928 0.947 -2.130
3 1HB PHE 1 1HB PHE 1 4.426 0.938 -1.657
4 2HB PHE 1 2HB PHE 1 3.485 2.160 -0.862
5 HD1 PHE 1 HD1 PHE 1 3.592 2.476 1.509
6 HD2 PHE 1 HD2 PHE 1 5.188 -1.152 -0.163
7 HE1 PHE 1 HE1 PHE 1 4.544 1.882 3.696
8 HE2 PHE 1 HE2 PHE 1 6.133 -1.736 2.039
9 HZ PHE 1 HZ PHE 1 5.808 -0.224 3.970
10 H GLN 2 H GLN 2 1.763 -1.867 -0.264
11 HA GLN 2 HA GLN 2 3.280 -3.710 -2.087
12 1HB GLN 2 1HB GLN 2 2.161 -5.468 -0.602
13 2HB GLN 2 2HB GLN 2 3.421 -4.476 0.085
14 1HG GLN 2 1HG GLN 2 1.799 -3.100 1.348
15 2HG GLN 2 2HG GLN 2 0.436 -3.857 0.550
16 1HE2 GLN 2 1HE2 GLN 2 3.205 -4.600 2.713
17 2HE2 GLN 2 2HE2 GLN 2 2.263 -5.912 3.602
18 H TRP 3 H TRP 3 -0.024 -2.506 -1.820
19 HA TRP 3 HA TRP 3 -0.600 -3.684 -4.477
20 1HB TRP 3 1HB TRP 3 -2.708 -4.982 -3.630
21 2HB TRP 3 2HB TRP 3 -1.122 -5.684 -3.562
22 HD1 TRP 3 HD1 TRP 3 -0.759 -7.065 -1.566
23 HE1 TRP 3 HE1 TRP 3 -1.493 -7.224 0.994
24 HE3 TRP 3 HE3 TRP 3 -3.557 -2.848 -1.516
25 HZ2 TRP 3 HZ2 TRP 3 -3.360 -5.747 2.544
26 HZ3 TRP 3 HZ3 TRP 3 -4.798 -2.250 0.493
27 HH2 TRP 3 HH2 TRP 3 -4.705 -3.665 2.530
28 H GLN 4 H GLN 4 -0.773 -0.965 -3.266
29 HA GLN 4 HA GLN 4 -3.378 -0.076 -3.023
30 1HB GLN 4 1HB GLN 4 -2.668 2.124 -3.209
31 2HB GLN 4 2HB GLN 4 -1.317 1.252 -2.566
32 1HG GLN 4 1HG GLN 4 -1.629 2.465 -5.385
33 2HG GLN 4 2HG GLN 4 -0.590 3.012 -4.098
34 1HE2 GLN 4 1HE2 GLN 4 -0.944 0.702 -6.549
35 2HE2 GLN 4 2HE2 GLN 4 0.756 0.025 -6.477
36 H ARG 5 H ARG 5 -2.331 -1.059 -6.055
37 HA ARG 5 HA ARG 5 -5.104 -0.475 -7.119
38 1HB ARG 5 1HB ARG 5 -2.538 0.495 -8.391
39 2HB ARG 5 2HB ARG 5 -3.471 -0.407 -9.495
40 1HG ARG 5 1HG ARG 5 -4.655 1.957 -7.853
41 2HG ARG 5 2HG ARG 5 -3.807 2.153 -9.362
42 1HD ARG 5 1HD ARG 5 -6.037 2.217 -10.051
43 2HD ARG 5 2HD ARG 5 -5.503 0.594 -10.517
44 HE ARG 5 HE ARG 5 -6.736 0.555 -7.814
45 1HH1 ARG 5 1HH1 ARG 5 -7.658 0.827 -11.151
46 2HH1 ARG 5 2HH1 ARG 5 -9.314 0.117 -10.841
47 1HH2 ARG 5 1HH2 ARG 5 -8.608 -0.282 -7.490
48 2HH2 ARG 5 2HH2 ARG 5 -9.805 -0.475 -8.850
49 H ASN 6 H ASN 6 -3.786 -2.924 -5.935
50 HA ASN 6 HA ASN 6 -4.699 -4.903 -8.105
51 1HB ASN 6 1HB ASN 6 -1.913 -4.863 -6.761
52 2HB ASN 6 2HB ASN 6 -2.566 -6.287 -7.506
53 1HD2 ASN 6 1HD2 ASN 6 -0.588 -3.750 -8.202
54 2HD2 ASN 6 2HD2 ASN 6 -0.751 -3.868 -10.032
55 H ILE 7 H ILE 7 -6.518 -4.972 -6.467
56 HA ILE 7 HA ILE 7 -5.801 -7.003 -4.300
57 HB ILE 7 HB ILE 7 -8.494 -5.835 -3.867
58 1HG1 ILE 7 1HG1 ILE 7 -7.402 -3.690 -4.497
59 2HG1 ILE 7 2HG1 ILE 7 -8.037 -3.786 -2.868
60 1HG2 ILE 7 1HG2 ILE 7 -7.691 -6.002 -1.484
61 2HG2 ILE 7 2HG2 ILE 7 -7.394 -7.522 -2.381
62 3HG2 ILE 7 3HG2 ILE 7 -6.059 -6.405 -2.062
63 1HD1 ILE 7 1HD1 ILE 7 -5.038 -4.212 -3.467
64 2HD1 ILE 7 2HD1 ILE 7 -5.745 -2.640 -3.003
65 3HD1 ILE 7 3HD1 ILE 7 -5.813 -4.023 -1.886
66 H ARG 8 H ARG 8 -8.410 -6.428 -6.671
67 HA ARG 8 HA ARG 8 -9.655 -9.069 -6.083
68 1HB ARG 8 1HB ARG 8 -11.128 -8.634 -8.020
69 2HB ARG 8 2HB ARG 8 -11.214 -7.434 -6.757
70 1HG ARG 8 1HG ARG 8 -10.007 -5.745 -8.085
71 2HG ARG 8 2HG ARG 8 -9.426 -6.948 -9.212
72 1HD ARG 8 1HD ARG 8 -11.057 -5.786 -10.422
73 2HD ARG 8 2HD ARG 8 -11.821 -7.335 -10.044
74 HE ARG 8 HE ARG 8 -12.658 -5.626 -7.908
75 1HH1 ARG 8 1HH1 ARG 8 -12.977 -5.525 -11.375
76 2HH1 ARG 8 2HH1 ARG 8 -14.515 -4.541 -11.282
77 1HH2 ARG 8 1HH2 ARG 8 -14.418 -4.511 -7.841
78 2HH2 ARG 8 2HH2 ARG 8 -15.274 -4.012 -9.367
79 H LYS 9 H LYS 9 -7.241 -7.965 -8.369
80 HA LYS 9 HA LYS 9 -7.072 -10.614 -9.718
81 1HB LYS 9 1HB LYS 9 -5.251 -9.815 -10.955
82 2HB LYS 9 2HB LYS 9 -6.414 -8.532 -10.897
83 1HG LYS 9 1HG LYS 9 -4.658 -7.132 -10.354
84 2HG LYS 9 2HG LYS 9 -4.829 -7.755 -8.742
85 1HD LYS 9 1HD LYS 9 -2.581 -8.078 -9.027
86 2HD LYS 9 2HD LYS 9 -3.104 -9.674 -9.467
87 1HE LYS 9 1HE LYS 9 -2.510 -7.368 -11.487
88 2HE LYS 9 2HE LYS 9 -1.286 -8.496 -10.929
89 1HZ LYS 9 1HZ LYS 9 -2.656 -10.370 -11.869
90 2HZ LYS 9 2HZ LYS 9 -3.767 -9.305 -12.436
91 3HZ LYS 9 3HZ LYS 9 -2.245 -9.305 -13.055
92 H VAL 10 H VAL 10 -6.031 -9.550 -6.674
93 HA VAL 10 HA VAL 10 -4.077 -11.891 -6.338
94 HB VAL 10 HB VAL 10 -4.514 -9.435 -4.523
95 1HG1 VAL 10 1HG1 VAL 10 -2.643 -10.366 -3.098
96 2HG1 VAL 10 2HG1 VAL 10 -4.048 -11.437 -3.076
97 3HG1 VAL 10 3HG1 VAL 10 -2.632 -11.860 -4.064
98 1HG2 VAL 10 1HG2 VAL 10 -2.006 -10.319 -6.118
99 2HG2 VAL 10 2HG2 VAL 10 -3.054 -8.933 -6.506
100 3HG2 VAL 10 3HG2 VAL 10 -2.109 -8.923 -5.012
101 H ARG 11 H ARG 11 -6.761 -10.394 -4.506
102 HA ARG 11 HA ARG 11 -8.410 -12.714 -4.667
103 1HB ARG 11 1HB ARG 11 -6.640 -13.481 -2.831
104 2HB ARG 11 2HB ARG 11 -7.466 -12.410 -1.730
105 1HG ARG 11 1HG ARG 11 -9.645 -13.748 -2.172
106 2HG ARG 11 2HG ARG 11 -8.738 -14.771 -3.279
107 1HD ARG 11 1HD ARG 11 -7.095 -15.190 -1.155
108 2HD ARG 11 2HD ARG 11 -8.392 -14.490 -0.225
109 HE ARG 11 HE ARG 11 -9.757 -16.465 -0.568
110 1HH1 ARG 11 1HH1 ARG 11 -7.027 -16.605 -2.709
111 2HH1 ARG 11 2HH1 ARG 11 -7.288 -18.381 -3.067
112 1HH2 ARG 11 1HH2 ARG 11 -10.038 -18.481 -0.990
113 2HH2 ARG 11 2HH2 ARG 11 -8.931 -19.368 -2.130
114 1HN NH2 12 1HN NH2 12 -9.822 -9.570 -2.448
115 2HN NH2 12 2HN NH2 12 -8.137 -10.181 -2.020
116 1H2 DAO 13 1H2 DAO 13 -0.557 0.973 1.659
117 2H2 DAO 13 2H2 DAO 13 -1.827 1.073 0.448
118 1H3 DAO 13 1H3 DAO 13 -2.669 -0.505 2.088
119 2H3 DAO 13 2H3 DAO 13 -2.215 -1.417 0.673
120 1H4 DAO 13 1H4 DAO 13 -1.260 -2.804 2.210
121 2H4 DAO 13 2H4 DAO 13 0.130 -1.766 1.947
122 1H5 DAO 13 1H5 DAO 13 -1.895 -1.460 4.256
123 2H5 DAO 13 2H5 DAO 13 -0.496 -0.417 4.001
124 1H6 DAO 13 1H6 DAO 13 -0.333 -3.481 4.358
125 2H6 DAO 13 2H6 DAO 13 1.057 -2.420 4.264
126 1H7 DAO 13 1H7 DAO 13 -1.062 -2.121 6.510
127 2H7 DAO 13 2H7 DAO 13 0.178 -3.344 6.571
128 1H8 DAO 13 1H8 DAO 13 1.059 -1.647 7.882
129 2H8 DAO 13 2H8 DAO 13 1.991 -1.547 6.402
130 1H9 DAO 13 1H9 DAO 13 -0.424 0.295 7.043
131 2H9 DAO 13 2H9 DAO 13 0.645 0.431 5.655
132 1H10 DAO 13 1H10 DAO 13 2.619 0.852 7.214
133 2H10 DAO 13 2H10 DAO 13 1.387 2.102 7.154
134 1H11 DAO 13 1H11 DAO 13 0.352 1.219 9.302
135 2H11 DAO 13 2H11 DAO 13 1.615 -0.007 9.402
136 1H12 DAO 13 1H12 DAO 13 2.116 3.053 9.439
137 2H12 DAO 13 2H12 DAO 13 2.200 1.958 10.838
138 3H12 DAO 13 3H12 DAO 13 3.393 1.810 9.527
Start of MODEL 20
1 1H PHE 1 1H PHE 1 2.283 -0.272 0.632
2 HA PHE 1 HA PHE 1 2.065 0.777 -2.135
3 1HB PHE 1 1HB PHE 1 4.534 0.748 -2.035
4 2HB PHE 1 2HB PHE 1 3.829 1.725 -0.780
5 HD1 PHE 1 HD1 PHE 1 4.107 1.138 1.626
6 HD2 PHE 1 HD2 PHE 1 5.758 -1.395 -1.431
7 HE1 PHE 1 HE1 PHE 1 5.509 0.013 3.308
8 HE2 PHE 1 HE2 PHE 1 7.165 -2.506 0.262
9 HZ PHE 1 HZ PHE 1 7.039 -1.806 2.632
10 H GLN 2 H GLN 2 2.062 -2.249 -0.614
11 HA GLN 2 HA GLN 2 3.344 -3.884 -2.772
12 1HB GLN 2 1HB GLN 2 2.452 -5.784 -1.333
13 2HB GLN 2 2HB GLN 2 3.726 -4.797 -0.663
14 1HG GLN 2 1HG GLN 2 2.152 -3.602 0.832
15 2HG GLN 2 2HG GLN 2 0.763 -4.379 0.101
16 1HE2 GLN 2 1HE2 GLN 2 3.232 -4.688 2.503
17 2HE2 GLN 2 2HE2 GLN 2 2.689 -6.360 3.052
18 H TRP 3 H TRP 3 0.092 -2.748 -2.010
19 HA TRP 3 HA TRP 3 -0.789 -3.689 -4.680
20 1HB TRP 3 1HB TRP 3 -2.788 -5.078 -3.743
21 2HB TRP 3 2HB TRP 3 -1.196 -5.764 -3.859
22 HD1 TRP 3 HD1 TRP 3 -0.582 -7.233 -1.985
23 HE1 TRP 3 HE1 TRP 3 -1.054 -7.556 0.611
24 HE3 TRP 3 HE3 TRP 3 -3.484 -3.120 -1.423
25 HZ2 TRP 3 HZ2 TRP 3 -2.825 -6.240 2.418
26 HZ3 TRP 3 HZ3 TRP 3 -4.499 -2.655 0.736
27 HH2 TRP 3 HH2 TRP 3 -4.201 -4.196 2.657
28 H GLN 4 H GLN 4 -0.815 -1.076 -3.208
29 HA GLN 4 HA GLN 4 -3.419 -0.200 -2.755
30 1HB GLN 4 1HB GLN 4 -2.706 2.000 -2.825
31 2HB GLN 4 2HB GLN 4 -1.320 1.092 -2.318
32 1HG GLN 4 1HG GLN 4 -1.792 2.459 -5.052
33 2HG GLN 4 2HG GLN 4 -0.721 2.976 -3.781
34 1HE2 GLN 4 1HE2 GLN 4 -1.121 0.663 -6.284
35 2HE2 GLN 4 2HE2 GLN 4 0.635 0.131 -6.328
36 H ARG 5 H ARG 5 -2.423 -0.898 -5.925
37 HA ARG 5 HA ARG 5 -5.154 -0.001 -7.014
38 1HB ARG 5 1HB ARG 5 -2.892 1.060 -7.980
39 2HB ARG 5 2HB ARG 5 -2.607 -0.518 -8.671
40 1HG ARG 5 1HG ARG 5 -3.525 0.798 -10.413
41 2HG ARG 5 2HG ARG 5 -4.816 -0.276 -9.957
42 1HD ARG 5 1HD ARG 5 -5.847 1.842 -10.299
43 2HD ARG 5 2HD ARG 5 -5.850 1.651 -8.540
44 HE ARG 5 HE ARG 5 -3.408 3.022 -9.029
45 1HH1 ARG 5 1HH1 ARG 5 -6.735 3.731 -9.771
46 2HH1 ARG 5 2HH1 ARG 5 -6.420 5.532 -9.834
47 1HH2 ARG 5 1HH2 ARG 5 -3.082 5.079 -9.134
48 2HH2 ARG 5 2HH2 ARG 5 -4.443 6.236 -9.479
49 H ASN 6 H ASN 6 -3.899 -2.770 -5.781
50 HA ASN 6 HA ASN 6 -4.911 -4.629 -8.026
51 1HB ASN 6 1HB ASN 6 -2.089 -4.597 -6.787
52 2HB ASN 6 2HB ASN 6 -2.682 -5.898 -7.779
53 1HD2 ASN 6 1HD2 ASN 6 -3.632 -4.959 -10.032
54 2HD2 ASN 6 2HD2 ASN 6 -2.412 -3.831 -10.799
55 H ILE 7 H ILE 7 -6.547 -4.686 -6.077
56 HA ILE 7 HA ILE 7 -5.849 -7.219 -4.518
57 HB ILE 7 HB ILE 7 -8.447 -6.167 -3.661
58 1HG1 ILE 7 1HG1 ILE 7 -7.516 -3.896 -4.163
59 2HG1 ILE 7 2HG1 ILE 7 -8.093 -4.213 -2.550
60 1HG2 ILE 7 1HG2 ILE 7 -7.132 -7.921 -2.484
61 2HG2 ILE 7 2HG2 ILE 7 -5.831 -6.758 -2.164
62 3HG2 ILE 7 3HG2 ILE 7 -7.423 -6.523 -1.406
63 1HD1 ILE 7 1HD1 ILE 7 -5.889 -2.872 -2.617
64 2HD1 ILE 7 2HD1 ILE 7 -5.815 -4.350 -1.633
65 3HD1 ILE 7 3HD1 ILE 7 -5.085 -4.335 -3.245
66 H ARG 8 H ARG 8 -7.683 -6.421 -7.187
67 HA ARG 8 HA ARG 8 -9.628 -8.719 -6.865
68 1HB ARG 8 1HB ARG 8 -9.261 -6.987 -9.336
69 2HB ARG 8 2HB ARG 8 -10.599 -8.062 -8.977
70 1HG ARG 8 1HG ARG 8 -9.966 -5.474 -7.381
71 2HG ARG 8 2HG ARG 8 -11.041 -5.556 -8.744
72 1HD ARG 8 1HD ARG 8 -12.746 -5.899 -7.255
73 2HD ARG 8 2HD ARG 8 -12.217 -7.548 -7.205
74 HE ARG 8 HE ARG 8 -11.283 -7.225 -4.989
75 1HH1 ARG 8 1HH1 ARG 8 -12.054 -4.116 -6.337
76 2HH1 ARG 8 2HH1 ARG 8 -11.974 -3.296 -4.703
77 1HH2 ARG 8 1HH2 ARG 8 -11.244 -6.278 -3.140
78 2HH2 ARG 8 2HH2 ARG 8 -11.526 -4.487 -2.995
79 H LYS 9 H LYS 9 -6.588 -8.150 -8.489
80 HA LYS 9 HA LYS 9 -6.471 -10.884 -9.688
81 1HB LYS 9 1HB LYS 9 -4.096 -10.561 -10.033
82 2HB LYS 9 2HB LYS 9 -5.034 -9.289 -10.755
83 1HG LYS 9 1HG LYS 9 -4.089 -7.589 -9.447
84 2HG LYS 9 2HG LYS 9 -4.026 -8.557 -8.004
85 1HD LYS 9 1HD LYS 9 -1.770 -8.156 -8.512
86 2HD LYS 9 2HD LYS 9 -2.042 -9.848 -8.886
87 1HE LYS 9 1HE LYS 9 -2.252 -9.222 -11.390
88 2HE LYS 9 2HE LYS 9 -1.949 -7.533 -10.970
89 1HZ LYS 9 1HZ LYS 9 0.251 -8.249 -9.990
90 2HZ LYS 9 2HZ LYS 9 -0.029 -9.805 -10.410
91 3HZ LYS 9 3HZ LYS 9 0.182 -8.669 -11.577
92 H VAL 10 H VAL 10 -5.603 -9.495 -6.543
93 HA VAL 10 HA VAL 10 -4.625 -12.236 -5.550
94 HB VAL 10 HB VAL 10 -4.211 -9.492 -4.222
95 1HG1 VAL 10 1HG1 VAL 10 -4.286 -11.369 -2.535
96 2HG1 VAL 10 2HG1 VAL 10 -3.042 -12.260 -3.441
97 3HG1 VAL 10 3HG1 VAL 10 -2.656 -10.704 -2.665
98 1HG2 VAL 10 1HG2 VAL 10 -2.102 -11.243 -5.677
99 2HG2 VAL 10 2HG2 VAL 10 -2.705 -9.661 -6.225
100 3HG2 VAL 10 3HG2 VAL 10 -1.761 -9.767 -4.736
101 H ARG 11 H ARG 11 -6.943 -12.760 -5.813
102 HA ARG 11 HA ARG 11 -9.035 -11.424 -4.350
103 1HB ARG 11 1HB ARG 11 -8.912 -14.229 -5.625
104 2HB ARG 11 2HB ARG 11 -10.330 -13.660 -4.789
105 1HG ARG 11 1HG ARG 11 -10.344 -11.565 -6.291
106 2HG ARG 11 2HG ARG 11 -9.072 -12.313 -7.240
107 1HD ARG 11 1HD ARG 11 -11.744 -13.783 -6.708
108 2HD ARG 11 2HD ARG 11 -11.687 -12.539 -7.917
109 HE ARG 11 HE ARG 11 -10.532 -15.279 -8.158
110 1HH1 ARG 11 1HH1 ARG 11 -10.065 -12.050 -9.381
111 2HH1 ARG 11 2HH1 ARG 11 -9.672 -12.666 -11.057
112 1HH2 ARG 11 1HH2 ARG 11 -10.014 -15.940 -10.055
113 2HH2 ARG 11 2HH2 ARG 11 -9.607 -14.767 -11.385
114 1HN NH2 12 1HN NH2 12 -8.583 -12.750 -0.999
115 2HN NH2 12 2HN NH2 12 -8.414 -11.272 -2.072
116 1H2 DAO 13 1H2 DAO 13 0.027 0.364 1.873
117 2H2 DAO 13 2H2 DAO 13 -1.369 0.657 0.849
118 1H3 DAO 13 1H3 DAO 13 -2.069 -1.059 2.415
119 2H3 DAO 13 2H3 DAO 13 -1.896 -1.801 0.849
120 1H4 DAO 13 1H4 DAO 13 -0.768 -3.428 1.908
121 2H4 DAO 13 2H4 DAO 13 0.623 -2.388 1.796
122 1H5 DAO 13 1H5 DAO 13 -0.102 -3.557 4.086
123 2H5 DAO 13 2H5 DAO 13 -1.232 -2.229 4.259
124 1H6 DAO 13 1H6 DAO 13 1.840 -2.017 3.930
125 2H6 DAO 13 2H6 DAO 13 0.790 -0.606 4.026
126 1H7 DAO 13 1H7 DAO 13 0.077 -1.145 6.302
127 2H7 DAO 13 2H7 DAO 13 0.801 -2.742 6.267
128 1H8 DAO 13 1H8 DAO 13 2.513 -0.187 5.962
129 2H8 DAO 13 2H8 DAO 13 2.054 -0.813 7.537
130 1H9 DAO 13 1H9 DAO 13 3.553 -2.544 5.466
131 2H9 DAO 13 2H9 DAO 13 3.175 -2.980 7.131
132 1H10 DAO 13 1H10 DAO 13 5.028 -0.674 6.230
133 2H10 DAO 13 2H10 DAO 13 4.611 -0.984 7.917
134 1H11 DAO 13 1H11 DAO 13 5.637 -3.273 7.799
135 2H11 DAO 13 2H11 DAO 13 5.988 -3.065 6.083
136 1H12 DAO 13 1H12 DAO 13 7.553 -1.140 6.609
137 2H12 DAO 13 2H12 DAO 13 7.182 -1.305 8.346
138 3H12 DAO 13 3H12 DAO 13 8.030 -2.612 7.487