Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
548427 | 2rsw RC | 21019 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 2.983 0.592 -1.087
3 HB VAL 1 HB VAL 1 3.108 -1.840 -0.821
4 HG11 VAL 1 1HG1 VAL 1 0.561 -2.084 -1.103
5 HG12 VAL 1 2HG1 VAL 1 0.907 -2.142 -2.832
6 HG13 VAL 1 3HG1 VAL 1 1.600 -3.352 -1.752
7 HG21 VAL 1 3HG2 VAL 1 3.794 -2.384 -3.066
8 HG22 VAL 1 1HG2 VAL 1 2.809 -1.077 -3.722
9 HG23 VAL 1 2HG2 VAL 1 4.217 -0.705 -2.728
10 H TYR 2 H TYR 2 -0.408 0.368 -1.352
11 HA TYR 2 HA TYR 2 -0.300 1.561 -4.045
12 HB2 TYR 2 2HB TYR 2 -1.417 -0.780 -3.680
13 HB3 TYR 2 3HB TYR 2 -2.750 0.166 -3.028
14 HD1 TYR 2 HD2 TYR 2 -0.821 -0.629 -6.048
15 HD2 TYR 2 HD1 TYR 2 -4.122 1.538 -4.464
16 HE1 TYR 2 HE2 TYR 2 -1.650 -0.236 -8.330
17 HE2 TYR 2 HE1 TYR 2 -4.961 1.936 -6.742
18 HH TYR 2 HH TYR 2 -3.300 0.586 -9.573
19 HA PRO 3 HA PRO 3 -2.134 4.555 -0.939
20 HB2 PRO 3 2HB PRO 3 -0.444 6.603 -1.506
21 HB3 PRO 3 3HB PRO 3 -0.086 5.371 -0.290
22 HG2 PRO 3 2HG PRO 3 0.874 5.577 -3.118
23 HG3 PRO 3 3HG PRO 3 1.782 5.146 -1.656
24 HD2 PRO 3 2HD PRO 3 0.881 3.291 -3.411
25 HD3 PRO 3 3HD PRO 3 1.017 2.972 -1.669
26 H PHE 4 H PHE 4 -1.963 4.081 -4.187
27 HA PHE 4 HA PHE 4 -2.724 6.595 -5.239
28 HB2 PHE 4 2HB PHE 4 -3.387 3.877 -6.383
29 HB3 PHE 4 3HB PHE 4 -3.282 5.402 -7.256
30 HD1 PHE 4 HD2 PHE 4 -1.335 2.811 -5.508
31 HD2 PHE 4 HD1 PHE 4 -1.203 6.250 -8.012
32 HE1 PHE 4 HE2 PHE 4 1.038 2.369 -5.983
33 HE2 PHE 4 HE1 PHE 4 1.170 5.813 -8.492
34 HZ PHE 4 HZ PHE 4 2.294 3.872 -7.476
35 H MET 5 H MET 5 -4.989 4.330 -6.263
36 HA MET 5 HA MET 5 -7.243 5.758 -5.842
37 HB2 MET 5 2HB MET 5 -6.638 2.977 -6.349
38 HB3 MET 5 3HB MET 5 -8.068 3.126 -5.337
39 HG2 MET 5 2HG MET 5 -9.246 4.303 -6.956
40 HG3 MET 5 3HG MET 5 -7.783 4.745 -7.834
41 HE1 MET 5 3HE MET 5 -9.503 1.754 -6.353
42 HE2 MET 5 1HE MET 5 -9.651 0.577 -7.658
43 HE3 MET 5 2HE MET 5 -8.114 0.768 -6.814
44 H TRP 6 H TRP 6 -5.606 3.733 -3.479
45 HA TRP 6 HA TRP 6 -7.392 3.417 -1.479
46 HB2 TRP 6 2HB TRP 6 -4.521 3.636 -1.646
47 HB3 TRP 6 3HB TRP 6 -5.099 4.367 -0.151
48 HD1 TRP 6 HD1 TRP 6 -4.476 1.038 -1.774
49 HE1 TRP 6 HE1 TRP 6 -5.093 -0.851 -0.138
50 HE3 TRP 6 HE3 TRP 6 -6.870 3.805 1.796
51 HZ2 TRP 6 HZ2 TRP 6 -6.420 -1.131 2.338
52 HZ3 TRP 6 HZ3 TRP 6 -7.785 2.650 3.767
53 HH2 TRP 6 HH2 TRP 6 -7.564 0.233 4.030
54 H GLY 7 H GLY 7 -5.178 6.199 -1.282
55 HA2 GLY 7 2HA GLY 7 -7.291 7.681 0.111
56 HA3 GLY 7 3HA GLY 7 -5.579 8.080 0.110
57 H GLY 8 H GLY 8 -6.173 7.382 -3.000
58 HA2 GLY 8 2HA GLY 8 -7.604 8.985 -4.431
59 HA3 GLY 8 3HA GLY 8 -6.635 10.217 -3.637
60 H ALA 9 H ALA 9 -6.685 7.700 -6.027
61 HA ALA 9 HA ALA 9 -4.038 7.387 -6.684
62 HB1 ALA 9 1HB ALA 9 -6.414 7.542 -8.532
63 HB2 ALA 9 2HB ALA 9 -4.817 6.958 -9.003
64 HB3 ALA 9 3HB ALA 9 -5.744 6.097 -7.774
65 H TYR 10 H TYR 10 -2.475 8.620 -7.525
66 HA TYR 10 HA TYR 10 -3.212 11.132 -8.857
67 HB2 TYR 10 2HB TYR 10 -0.874 11.782 -7.558
68 HB3 TYR 10 3HB TYR 10 -2.491 12.248 -7.043
69 HD1 TYR 10 HD1 TYR 10 -0.908 8.886 -6.890
70 HD2 TYR 10 HD2 TYR 10 -2.332 12.250 -4.708
71 HE1 TYR 10 HE1 TYR 10 -0.588 7.650 -4.787
72 HE2 TYR 10 HE2 TYR 10 -2.015 11.024 -2.600
73 HH TYR 10 HH TYR 10 -0.743 9.165 -1.724
74 H CYS 11 H CYS 11 -2.126 8.375 -9.597
75 HA CYS 11 HA CYS 11 0.130 9.372 -11.201
76 HB2 CYS 11 2HB CYS 11 -0.073 6.815 -9.631
77 HB3 CYS 11 3HB CYS 11 0.988 6.934 -11.030
78 HG CYS 11 HG CYS 11 1.663 9.537 -9.257
79 H PHE 12 H PHE 12 -0.860 6.067 -11.354
80 HA PHE 12 HA PHE 12 -1.254 5.979 -14.073
81 HB2 PHE 12 2HB PHE 12 -2.295 3.847 -13.758
82 HB3 PHE 12 3HB PHE 12 -1.067 4.015 -12.508
83 HD1 PHE 12 HD1 PHE 12 -2.427 5.690 -10.533
84 HD2 PHE 12 HD2 PHE 12 -3.903 2.448 -12.862
85 HE1 PHE 12 HE1 PHE 12 -4.119 5.226 -8.808
86 HE2 PHE 12 HE2 PHE 12 -5.598 1.979 -11.142
87 HZ PHE 12 HZ PHE 12 -5.709 3.369 -9.112
88 H CYS 13 H CYS 13 -3.290 7.357 -11.711
89 HA CYS 13 HA CYS 13 -5.575 7.389 -13.557
90 HB2 CYS 13 2HB CYS 13 -5.338 7.729 -10.582
91 HB3 CYS 13 3HB CYS 13 -6.750 8.334 -11.441
92 HG CYS 13 HG CYS 13 -7.595 5.966 -10.408
93 H ASP 14 H ASP 14 -3.064 9.305 -12.310
94 HA ASP 14 HA ASP 14 -4.374 11.733 -13.344
95 HB2 ASP 14 2HB ASP 14 -3.132 11.239 -10.759
96 HB3 ASP 14 3HB ASP 14 -2.404 12.613 -11.588
97 H ALA 15 H ALA 15 -1.188 10.320 -12.600
98 HA ALA 15 HA ALA 15 0.520 11.923 -13.923
99 HB1 ALA 15 1HB ALA 15 0.499 9.154 -13.181
100 HB2 ALA 15 2HB ALA 15 1.317 9.357 -14.731
101 HB3 ALA 15 3HB ALA 15 1.863 10.263 -13.320
102 H GLU 16 H GLU 16 -1.553 9.486 -15.451
103 HA GLU 16 HA GLU 16 -0.793 10.559 -18.081
104 HB2 GLU 16 2HB GLU 16 -0.680 8.011 -17.393
105 HB3 GLU 16 3HB GLU 16 -2.396 8.057 -17.774
106 HG2 GLU 16 2HG GLU 16 -2.042 8.240 -19.987
107 HG3 GLU 16 3HG GLU 16 -0.611 9.249 -19.786
108 H ASN 17 H ASN 17 -3.381 10.252 -15.831
109 HA ASN 17 HA ASN 17 -5.245 11.378 -17.818
110 HB2 ASN 17 2HB ASN 17 -5.638 9.370 -15.644
111 HB3 ASN 17 3HB ASN 17 -6.968 10.465 -16.014
112 HD21 ASN 17 1HD2 ASN 17 -8.230 10.036 -17.704
113 HD22 ASN 17 2HD2 ASN 17 -7.946 8.789 -18.865
114 H THR 18 H THR 18 -3.939 13.345 -16.985
115 HA THR 18 HA THR 18 -4.359 14.387 -14.417
116 HB THR 18 HB THR 18 -2.641 15.310 -15.857
117 HG1 THR 18 HG1 THR 18 -2.933 17.325 -15.146
118 HG21 THR 18 3HG2 THR 18 -3.279 15.323 -18.043
119 HG22 THR 18 1HG2 THR 18 -3.670 16.998 -17.654
120 HG23 THR 18 2HG2 THR 18 -4.942 15.776 -17.669
Start of MODEL 2
1 H1 VAL 1 H VAL 1 1.273 0.879 0.508
2 HA VAL 1 HA VAL 1 3.053 0.743 -1.050
3 HB VAL 1 HB VAL 1 3.246 -1.704 -0.795
4 HG11 VAL 1 1HG1 VAL 1 0.817 -2.168 -1.150
5 HG12 VAL 1 2HG1 VAL 1 1.074 -1.896 -2.875
6 HG13 VAL 1 3HG1 VAL 1 1.900 -3.223 -2.057
7 HG21 VAL 1 3HG2 VAL 1 4.101 -2.158 -3.001
8 HG22 VAL 1 1HG2 VAL 1 3.114 -0.868 -3.689
9 HG23 VAL 1 2HG2 VAL 1 4.438 -0.476 -2.591
10 H TYR 2 H TYR 2 -0.313 0.407 -1.381
11 HA TYR 2 HA TYR 2 -0.200 1.606 -4.071
12 HB2 TYR 2 2HB TYR 2 -1.253 -0.768 -3.725
13 HB3 TYR 2 3HB TYR 2 -2.622 0.137 -3.091
14 HD1 TYR 2 HD2 TYR 2 -0.627 -0.594 -6.084
15 HD2 TYR 2 HD1 TYR 2 -4.016 1.469 -4.545
16 HE1 TYR 2 HE2 TYR 2 -1.435 -0.222 -8.377
17 HE2 TYR 2 HE1 TYR 2 -4.833 1.845 -6.834
18 HH TYR 2 HH TYR 2 -3.681 0.203 -9.490
19 HA PRO 3 HA PRO 3 -2.168 4.540 -0.989
20 HB2 PRO 3 2HB PRO 3 -0.531 6.637 -1.529
21 HB3 PRO 3 3HB PRO 3 -0.155 5.414 -0.309
22 HG2 PRO 3 2HG PRO 3 0.841 5.653 -3.122
23 HG3 PRO 3 3HG PRO 3 1.739 5.247 -1.648
24 HD2 PRO 3 2HD PRO 3 0.919 3.369 -3.417
25 HD3 PRO 3 3HD PRO 3 1.039 3.051 -1.674
26 H PHE 4 H PHE 4 -1.935 4.075 -4.235
27 HA PHE 4 HA PHE 4 -2.755 6.568 -5.295
28 HB2 PHE 4 2HB PHE 4 -3.316 3.832 -6.452
29 HB3 PHE 4 3HB PHE 4 -3.247 5.361 -7.322
30 HD1 PHE 4 HD2 PHE 4 -1.245 2.830 -5.549
31 HD2 PHE 4 HD1 PHE 4 -1.186 6.274 -8.048
32 HE1 PHE 4 HE2 PHE 4 1.147 2.464 -5.990
33 HE2 PHE 4 HE1 PHE 4 1.207 5.913 -8.495
34 HZ PHE 4 HZ PHE 4 2.377 4.006 -7.464
35 H MET 5 H MET 5 -4.934 4.236 -6.355
36 HA MET 5 HA MET 5 -7.236 5.596 -5.968
37 HB2 MET 5 2HB MET 5 -6.541 2.834 -6.467
38 HB3 MET 5 3HB MET 5 -7.990 2.940 -5.476
39 HG2 MET 5 2HG MET 5 -8.219 4.837 -7.570
40 HG3 MET 5 3HG MET 5 -7.720 3.300 -8.271
41 HE1 MET 5 3HE MET 5 -11.352 4.468 -5.947
42 HE2 MET 5 1HE MET 5 -10.543 3.217 -5.003
43 HE3 MET 5 2HE MET 5 -9.667 4.675 -5.466
44 H TRP 6 H TRP 6 -5.575 3.620 -3.581
45 HA TRP 6 HA TRP 6 -7.383 3.250 -1.609
46 HB2 TRP 6 2HB TRP 6 -4.516 3.552 -1.732
47 HB3 TRP 6 3HB TRP 6 -5.139 4.258 -0.243
48 HD1 TRP 6 HD1 TRP 6 -4.397 0.956 -1.873
49 HE1 TRP 6 HE1 TRP 6 -4.983 -0.958 -0.255
50 HE3 TRP 6 HE3 TRP 6 -6.918 3.636 1.676
51 HZ2 TRP 6 HZ2 TRP 6 -6.336 -1.289 2.200
52 HZ3 TRP 6 HZ3 TRP 6 -7.828 2.445 3.628
53 HH2 TRP 6 HH2 TRP 6 -7.542 0.034 3.882
54 H GLY 7 H GLY 7 -5.246 6.089 -1.367
55 HA2 GLY 7 2HA GLY 7 -7.417 7.511 -0.005
56 HA3 GLY 7 3HA GLY 7 -5.717 7.958 0.013
57 H GLY 8 H GLY 8 -6.257 7.245 -3.103
58 HA2 GLY 8 2HA GLY 8 -7.715 8.806 -4.552
59 HA3 GLY 8 3HA GLY 8 -6.796 10.067 -3.743
60 H ALA 9 H ALA 9 -6.735 7.552 -6.136
61 HA ALA 9 HA ALA 9 -4.071 7.322 -6.758
62 HB1 ALA 9 1HB ALA 9 -6.425 7.409 -8.638
63 HB2 ALA 9 2HB ALA 9 -4.805 6.874 -9.087
64 HB3 ALA 9 3HB ALA 9 -5.723 5.983 -7.873
65 H TYR 10 H TYR 10 -2.535 8.603 -7.576
66 HA TYR 10 HA TYR 10 -3.330 11.095 -8.913
67 HB2 TYR 10 2HB TYR 10 -1.030 11.813 -7.580
68 HB3 TYR 10 3HB TYR 10 -2.668 12.229 -7.087
69 HD1 TYR 10 HD1 TYR 10 -0.986 8.916 -6.917
70 HD2 TYR 10 HD2 TYR 10 -2.542 12.231 -4.751
71 HE1 TYR 10 HE1 TYR 10 -0.659 7.686 -4.812
72 HE2 TYR 10 HE2 TYR 10 -2.219 11.011 -2.640
73 HH TYR 10 HH TYR 10 -1.530 9.135 -1.685
74 H CYS 11 H CYS 11 -2.150 8.373 -9.643
75 HA CYS 11 HA CYS 11 0.097 9.442 -11.213
76 HB2 CYS 11 2HB CYS 11 -0.050 6.878 -9.650
77 HB3 CYS 11 3HB CYS 11 1.026 7.031 -11.034
78 HG CYS 11 HG CYS 11 1.880 9.608 -9.552
79 H PHE 12 H PHE 12 -0.789 6.109 -11.385
80 HA PHE 12 HA PHE 12 -1.144 6.015 -14.109
81 HB2 PHE 12 2HB PHE 12 -2.123 3.850 -13.812
82 HB3 PHE 12 3HB PHE 12 -0.918 4.054 -12.545
83 HD1 PHE 12 HD1 PHE 12 -2.356 5.683 -10.587
84 HD2 PHE 12 HD2 PHE 12 -3.699 2.401 -12.941
85 HE1 PHE 12 HE1 PHE 12 -4.057 5.164 -8.886
86 HE2 PHE 12 HE2 PHE 12 -5.402 1.877 -11.245
87 HZ PHE 12 HZ PHE 12 -5.584 3.259 -9.215
88 H CYS 13 H CYS 13 -3.253 7.325 -11.774
89 HA CYS 13 HA CYS 13 -5.513 7.290 -13.651
90 HB2 CYS 13 2HB CYS 13 -5.327 7.632 -10.672
91 HB3 CYS 13 3HB CYS 13 -6.744 8.195 -11.549
92 HG CYS 13 HG CYS 13 -7.810 5.904 -10.913
93 H ASP 14 H ASP 14 -3.079 9.280 -12.366
94 HA ASP 14 HA ASP 14 -4.449 11.668 -13.416
95 HB2 ASP 14 2HB ASP 14 -3.221 11.209 -10.816
96 HB3 ASP 14 3HB ASP 14 -2.535 12.611 -11.633
97 H ALA 15 H ALA 15 -1.231 10.352 -12.629
98 HA ALA 15 HA ALA 15 0.445 12.010 -13.927
99 HB1 ALA 15 1HB ALA 15 0.499 9.240 -13.188
100 HB2 ALA 15 2HB ALA 15 1.335 9.473 -14.724
101 HB3 ALA 15 3HB ALA 15 1.829 10.393 -13.302
102 H GLU 16 H GLU 16 -1.514 9.496 -15.487
103 HA GLU 16 HA GLU 16 -0.744 10.583 -18.107
104 HB2 GLU 16 2HB GLU 16 -0.608 8.040 -17.405
105 HB3 GLU 16 3HB GLU 16 -2.318 8.062 -17.812
106 HG2 GLU 16 2HG GLU 16 -0.673 9.322 -19.845
107 HG3 GLU 16 3HG GLU 16 -0.231 7.641 -19.552
108 H ASN 17 H ASN 17 -3.364 10.254 -15.897
109 HA ASN 17 HA ASN 17 -5.199 11.375 -17.912
110 HB2 ASN 17 2HB ASN 17 -5.630 9.324 -15.782
111 HB3 ASN 17 3HB ASN 17 -6.965 10.393 -16.203
112 HD21 ASN 17 1HD2 ASN 17 -7.648 8.015 -16.677
113 HD22 ASN 17 2HD2 ASN 17 -7.474 7.534 -18.327
114 H THR 18 H THR 18 -3.916 13.326 -16.971
115 HA THR 18 HA THR 18 -4.460 14.295 -14.396
116 HB THR 18 HB THR 18 -4.126 16.602 -15.735
117 HG1 THR 18 HG1 THR 18 -3.955 15.979 -17.793
118 HG21 THR 18 3HG2 THR 18 -1.567 15.313 -15.679
119 HG22 THR 18 1HG2 THR 18 -2.508 14.813 -14.275
120 HG23 THR 18 2HG2 THR 18 -2.222 16.527 -14.580
Start of MODEL 3
1 H1 VAL 1 H VAL 1 0.719 -0.431 0.157
2 HA VAL 1 HA VAL 1 3.126 0.735 -1.076
3 HB VAL 1 HB VAL 1 3.272 -1.682 -0.766
4 HG11 VAL 1 1HG1 VAL 1 1.763 -3.215 -1.863
5 HG12 VAL 1 2HG1 VAL 1 0.841 -2.133 -0.817
6 HG13 VAL 1 3HG1 VAL 1 0.857 -1.874 -2.562
7 HG21 VAL 1 3HG2 VAL 1 3.866 -2.294 -3.027
8 HG22 VAL 1 1HG2 VAL 1 2.872 -0.990 -3.674
9 HG23 VAL 1 2HG2 VAL 1 4.318 -0.614 -2.737
10 H TYR 2 H TYR 2 -0.274 0.464 -1.316
11 HA TYR 2 HA TYR 2 -0.190 1.633 -4.021
12 HB2 TYR 2 2HB TYR 2 -1.265 -0.724 -3.634
13 HB3 TYR 2 3HB TYR 2 -2.613 0.203 -2.985
14 HD1 TYR 2 HD2 TYR 2 -0.681 -0.586 -6.004
15 HD2 TYR 2 HD1 TYR 2 -4.012 1.543 -4.430
16 HE1 TYR 2 HE2 TYR 2 -1.524 -0.227 -8.287
17 HE2 TYR 2 HE1 TYR 2 -4.864 1.907 -6.708
18 HH TYR 2 HH TYR 2 -4.518 0.547 -9.040
19 HA PRO 3 HA PRO 3 -2.074 4.623 -0.939
20 HB2 PRO 3 2HB PRO 3 -0.420 6.695 -1.527
21 HB3 PRO 3 3HB PRO 3 -0.040 5.480 -0.300
22 HG2 PRO 3 2HG PRO 3 0.915 5.677 -3.131
23 HG3 PRO 3 3HG PRO 3 1.831 5.276 -1.666
24 HD2 PRO 3 2HD PRO 3 0.961 3.389 -3.403
25 HD3 PRO 3 3HD PRO 3 1.104 3.088 -1.659
26 H PHE 4 H PHE 4 -1.892 4.125 -4.185
27 HA PHE 4 HA PHE 4 -2.699 6.615 -5.259
28 HB2 PHE 4 2HB PHE 4 -3.317 3.875 -6.376
29 HB3 PHE 4 3HB PHE 4 -3.239 5.393 -7.264
30 HD1 PHE 4 HD2 PHE 4 -1.248 2.850 -5.495
31 HD2 PHE 4 HD1 PHE 4 -1.175 6.268 -8.030
32 HE1 PHE 4 HE2 PHE 4 1.131 2.443 -5.969
33 HE2 PHE 4 HE1 PHE 4 1.205 5.866 -8.509
34 HZ PHE 4 HZ PHE 4 2.361 3.952 -7.477
35 H MET 5 H MET 5 -4.926 4.299 -6.256
36 HA MET 5 HA MET 5 -7.204 5.695 -5.848
37 HB2 MET 5 2HB MET 5 -6.553 2.919 -6.327
38 HB3 MET 5 3HB MET 5 -7.983 3.055 -5.313
39 HG2 MET 5 2HG MET 5 -8.306 4.934 -7.367
40 HG3 MET 5 3HG MET 5 -7.704 3.465 -8.131
41 HE1 MET 5 3HE MET 5 -11.239 2.563 -9.012
42 HE2 MET 5 1HE MET 5 -10.461 4.129 -9.242
43 HE3 MET 5 2HE MET 5 -9.537 2.644 -9.469
44 H TRP 6 H TRP 6 -5.530 3.724 -3.465
45 HA TRP 6 HA TRP 6 -7.310 3.401 -1.460
46 HB2 TRP 6 2HB TRP 6 -4.442 3.662 -1.633
47 HB3 TRP 6 3HB TRP 6 -5.030 4.395 -0.143
48 HD1 TRP 6 HD1 TRP 6 -4.361 1.064 -1.744
49 HE1 TRP 6 HE1 TRP 6 -4.946 -0.822 -0.093
50 HE3 TRP 6 HE3 TRP 6 -6.784 3.822 1.814
51 HZ2 TRP 6 HZ2 TRP 6 -6.261 -1.104 2.389
52 HZ3 TRP 6 HZ3 TRP 6 -7.677 2.668 3.795
53 HH2 TRP 6 HH2 TRP 6 -7.420 0.256 4.075
54 H GLY 7 H GLY 7 -5.133 6.214 -1.287
55 HA2 GLY 7 2HA GLY 7 -7.263 7.681 0.093
56 HA3 GLY 7 3HA GLY 7 -5.558 8.105 0.080
57 H GLY 8 H GLY 8 -6.154 7.365 -3.019
58 HA2 GLY 8 2HA GLY 8 -7.614 8.928 -4.463
59 HA3 GLY 8 3HA GLY 8 -6.665 10.186 -3.684
60 H ALA 9 H ALA 9 -6.677 7.644 -6.049
61 HA ALA 9 HA ALA 9 -4.027 7.370 -6.709
62 HB1 ALA 9 1HB ALA 9 -5.712 6.042 -7.785
63 HB2 ALA 9 2HB ALA 9 -6.409 7.469 -8.552
64 HB3 ALA 9 3HB ALA 9 -4.805 6.910 -9.023
65 H TYR 10 H TYR 10 -2.486 8.620 -7.564
66 HA TYR 10 HA TYR 10 -3.265 11.108 -8.916
67 HB2 TYR 10 2HB TYR 10 -0.935 11.806 -7.624
68 HB3 TYR 10 3HB TYR 10 -2.559 12.253 -7.114
69 HD1 TYR 10 HD1 TYR 10 -0.924 8.917 -6.928
70 HD2 TYR 10 HD2 TYR 10 -2.404 12.279 -4.780
71 HE1 TYR 10 HE1 TYR 10 -0.587 7.707 -4.813
72 HE2 TYR 10 HE2 TYR 10 -2.070 11.079 -2.660
73 HH TYR 10 HH TYR 10 -1.754 8.961 -1.774
74 H CYS 11 H CYS 11 -2.134 8.362 -9.633
75 HA CYS 11 HA CYS 11 0.103 9.382 -11.249
76 HB2 CYS 11 2HB CYS 11 -0.056 6.837 -9.656
77 HB3 CYS 11 3HB CYS 11 1.001 6.961 -11.057
78 HG CYS 11 HG CYS 11 1.563 7.910 -7.989
79 H PHE 12 H PHE 12 -0.834 6.060 -11.369
80 HA PHE 12 HA PHE 12 -1.229 5.941 -14.087
81 HB2 PHE 12 2HB PHE 12 -2.236 3.795 -13.752
82 HB3 PHE 12 3HB PHE 12 -1.009 3.994 -12.504
83 HD1 PHE 12 HD1 PHE 12 -2.394 5.666 -10.543
84 HD2 PHE 12 HD2 PHE 12 -3.819 2.378 -12.840
85 HE1 PHE 12 HE1 PHE 12 -4.077 5.191 -8.813
86 HE2 PHE 12 HE2 PHE 12 -5.505 1.899 -11.114
87 HZ PHE 12 HZ PHE 12 -5.636 3.306 -9.097
88 H CYS 13 H CYS 13 -3.284 7.309 -11.736
89 HA CYS 13 HA CYS 13 -5.572 7.287 -13.581
90 HB2 CYS 13 2HB CYS 13 -5.338 7.657 -10.608
91 HB3 CYS 13 3HB CYS 13 -6.760 8.231 -11.471
92 HG CYS 13 HG CYS 13 -6.693 5.496 -10.122
93 H ASP 14 H ASP 14 -3.090 9.253 -12.353
94 HA ASP 14 HA ASP 14 -4.440 11.651 -13.408
95 HB2 ASP 14 2HB ASP 14 -3.189 11.200 -10.820
96 HB3 ASP 14 3HB ASP 14 -2.483 12.578 -11.661
97 H ALA 15 H ALA 15 -1.232 10.295 -12.654
98 HA ALA 15 HA ALA 15 0.449 11.915 -13.993
99 HB1 ALA 15 1HB ALA 15 1.819 10.284 -13.373
100 HB2 ALA 15 2HB ALA 15 0.475 9.151 -13.228
101 HB3 ALA 15 3HB ALA 15 1.291 9.357 -14.778
102 H GLU 16 H GLU 16 -1.578 9.423 -15.498
103 HA GLU 16 HA GLU 16 -0.835 10.480 -18.138
104 HB2 GLU 16 2HB GLU 16 -0.698 7.941 -17.421
105 HB3 GLU 16 3HB GLU 16 -2.413 7.966 -17.803
106 HG2 GLU 16 2HG GLU 16 -1.874 8.795 -20.057
107 HG3 GLU 16 3HG GLU 16 -0.159 8.678 -19.665
108 H ASN 17 H ASN 17 -3.420 10.175 -15.885
109 HA ASN 17 HA ASN 17 -5.288 11.276 -17.881
110 HB2 ASN 17 2HB ASN 17 -5.688 9.274 -15.695
111 HB3 ASN 17 3HB ASN 17 -7.026 10.335 -16.127
112 HD21 ASN 17 1HD2 ASN 17 -7.182 7.606 -16.421
113 HD22 ASN 17 2HD2 ASN 17 -7.239 7.215 -18.103
114 H THR 18 H THR 18 -4.102 13.289 -17.100
115 HA THR 18 HA THR 18 -4.579 14.293 -14.493
116 HB THR 18 HB THR 18 -3.951 15.817 -17.030
117 HG1 THR 18 HG1 THR 18 -2.283 14.775 -14.965
118 HG21 THR 18 3HG2 THR 18 -2.952 17.402 -15.206
119 HG22 THR 18 1HG2 THR 18 -4.123 16.611 -14.152
120 HG23 THR 18 2HG2 THR 18 -4.672 17.475 -15.588
Start of MODEL 4
1 H1 VAL 1 H VAL 1 1.934 -0.145 0.853
2 HA VAL 1 HA VAL 1 3.119 0.730 -1.068
3 HB VAL 1 HB VAL 1 3.306 -1.704 -0.794
4 HG11 VAL 1 1HG1 VAL 1 0.913 -1.808 -2.627
5 HG12 VAL 1 2HG1 VAL 1 1.894 -3.197 -2.157
6 HG13 VAL 1 3HG1 VAL 1 0.969 -2.317 -0.940
7 HG21 VAL 1 3HG2 VAL 1 4.411 -0.525 -2.680
8 HG22 VAL 1 1HG2 VAL 1 4.050 -2.217 -3.024
9 HG23 VAL 1 2HG2 VAL 1 3.035 -0.943 -3.700
10 H TYR 2 H TYR 2 -0.260 0.426 -1.330
11 HA TYR 2 HA TYR 2 -0.184 1.599 -4.033
12 HB2 TYR 2 2HB TYR 2 -1.252 -0.762 -3.646
13 HB3 TYR 2 3HB TYR 2 -2.602 0.162 -2.997
14 HD1 TYR 2 HD2 TYR 2 -0.665 -0.614 -6.017
15 HD2 TYR 2 HD1 TYR 2 -4.009 1.491 -4.440
16 HE1 TYR 2 HE2 TYR 2 -1.509 -0.257 -8.299
17 HE2 TYR 2 HE1 TYR 2 -4.863 1.853 -6.718
18 HH TYR 2 HH TYR 2 -3.281 0.407 -9.523
19 HA PRO 3 HA PRO 3 -2.071 4.580 -0.945
20 HB2 PRO 3 2HB PRO 3 -0.426 6.658 -1.535
21 HB3 PRO 3 3HB PRO 3 -0.039 5.443 -0.310
22 HG2 PRO 3 2HG PRO 3 0.908 5.646 -3.143
23 HG3 PRO 3 3HG PRO 3 1.829 5.246 -1.681
24 HD2 PRO 3 2HD PRO 3 0.961 3.358 -3.417
25 HD3 PRO 3 3HD PRO 3 1.110 3.057 -1.674
26 H PHE 4 H PHE 4 -1.904 4.081 -4.189
27 HA PHE 4 HA PHE 4 -2.721 6.571 -5.257
28 HB2 PHE 4 2HB PHE 4 -3.324 3.830 -6.380
29 HB3 PHE 4 3HB PHE 4 -3.258 5.351 -7.265
30 HD1 PHE 4 HD2 PHE 4 -1.245 2.820 -5.503
31 HD2 PHE 4 HD1 PHE 4 -1.202 6.241 -8.035
32 HE1 PHE 4 HE2 PHE 4 1.137 2.431 -5.983
33 HE2 PHE 4 HE1 PHE 4 1.179 5.857 -8.520
34 HZ PHE 4 HZ PHE 4 2.352 3.951 -7.492
35 H MET 5 H MET 5 -4.936 4.246 -6.258
36 HA MET 5 HA MET 5 -7.221 5.626 -5.843
37 HB2 MET 5 2HB MET 5 -6.554 2.856 -6.330
38 HB3 MET 5 3HB MET 5 -7.984 2.980 -5.313
39 HG2 MET 5 2HG MET 5 -7.686 4.493 -7.888
40 HG3 MET 5 3HG MET 5 -8.370 2.871 -7.802
41 HE1 MET 5 3HE MET 5 -9.528 5.260 -9.076
42 HE2 MET 5 1HE MET 5 -10.972 4.260 -8.914
43 HE3 MET 5 2HE MET 5 -10.987 5.928 -8.343
44 H TRP 6 H TRP 6 -5.533 3.660 -3.467
45 HA TRP 6 HA TRP 6 -7.307 3.321 -1.460
46 HB2 TRP 6 2HB TRP 6 -4.442 3.602 -1.636
47 HB3 TRP 6 3HB TRP 6 -5.033 4.328 -0.144
48 HD1 TRP 6 HD1 TRP 6 -4.342 1.004 -1.752
49 HE1 TRP 6 HE1 TRP 6 -4.912 -0.889 -0.104
50 HE3 TRP 6 HE3 TRP 6 -6.783 3.738 1.812
51 HZ2 TRP 6 HZ2 TRP 6 -6.223 -1.184 2.378
52 HZ3 TRP 6 HZ3 TRP 6 -7.665 2.574 3.792
53 HH2 TRP 6 HH2 TRP 6 -7.391 0.164 4.067
54 H GLY 7 H GLY 7 -5.150 6.149 -1.285
55 HA2 GLY 7 2HA GLY 7 -7.289 7.598 0.101
56 HA3 GLY 7 3HA GLY 7 -5.586 8.033 0.087
57 H GLY 8 H GLY 8 -6.179 7.296 -3.012
58 HA2 GLY 8 2HA GLY 8 -7.651 8.854 -4.452
59 HA3 GLY 8 3HA GLY 8 -6.709 10.115 -3.671
60 H ALA 9 H ALA 9 -6.707 7.578 -6.041
61 HA ALA 9 HA ALA 9 -4.056 7.323 -6.705
62 HB1 ALA 9 1HB ALA 9 -5.730 5.983 -7.780
63 HB2 ALA 9 2HB ALA 9 -6.443 7.406 -8.543
64 HB3 ALA 9 3HB ALA 9 -4.834 6.862 -9.019
65 H TYR 10 H TYR 10 -2.525 8.585 -7.559
66 HA TYR 10 HA TYR 10 -3.324 11.070 -8.908
67 HB2 TYR 10 2HB TYR 10 -0.999 11.786 -7.621
68 HB3 TYR 10 3HB TYR 10 -2.626 12.215 -7.102
69 HD1 TYR 10 HD1 TYR 10 -0.962 8.893 -6.934
70 HD2 TYR 10 HD2 TYR 10 -2.453 12.237 -4.768
71 HE1 TYR 10 HE1 TYR 10 -0.602 7.679 -4.825
72 HE2 TYR 10 HE2 TYR 10 -2.097 11.034 -2.653
73 HH TYR 10 HH TYR 10 -1.963 8.243 -2.125
74 H CYS 11 H CYS 11 -2.178 8.334 -9.633
75 HA CYS 11 HA CYS 11 0.050 9.372 -11.250
76 HB2 CYS 11 2HB CYS 11 -0.089 6.822 -9.662
77 HB3 CYS 11 3HB CYS 11 0.964 6.955 -11.064
78 HG CYS 11 HG CYS 11 1.140 9.080 -8.390
79 H PHE 12 H PHE 12 -0.864 6.043 -11.376
80 HA PHE 12 HA PHE 12 -1.264 5.927 -14.093
81 HB2 PHE 12 2HB PHE 12 -2.255 3.774 -13.761
82 HB3 PHE 12 3HB PHE 12 -1.027 3.979 -12.516
83 HD1 PHE 12 HD1 PHE 12 -2.419 5.637 -10.548
84 HD2 PHE 12 HD2 PHE 12 -3.826 2.344 -12.849
85 HE1 PHE 12 HE1 PHE 12 -4.095 5.146 -8.815
86 HE2 PHE 12 HE2 PHE 12 -5.505 1.849 -11.120
87 HZ PHE 12 HZ PHE 12 -5.642 3.251 -9.100
88 H CYS 13 H CYS 13 -3.324 7.275 -11.735
89 HA CYS 13 HA CYS 13 -5.615 7.241 -13.575
90 HB2 CYS 13 2HB CYS 13 -5.378 7.607 -10.602
91 HB3 CYS 13 3HB CYS 13 -6.805 8.173 -11.461
92 HG CYS 13 HG CYS 13 -7.396 5.718 -10.265
93 H ASP 14 H ASP 14 -3.145 9.222 -12.349
94 HA ASP 14 HA ASP 14 -4.514 11.612 -13.396
95 HB2 ASP 14 2HB ASP 14 -3.248 11.166 -10.812
96 HB3 ASP 14 3HB ASP 14 -2.563 12.554 -11.653
97 H ALA 15 H ALA 15 -1.294 10.278 -12.651
98 HA ALA 15 HA ALA 15 0.373 11.912 -13.990
99 HB1 ALA 15 1HB ALA 15 1.228 9.360 -14.782
100 HB2 ALA 15 2HB ALA 15 1.756 10.288 -13.377
101 HB3 ALA 15 3HB ALA 15 0.419 9.147 -13.229
102 H GLU 16 H GLU 16 -1.669 9.434 -15.490
103 HA GLU 16 HA GLU 16 -0.930 10.494 -18.133
104 HB2 GLU 16 2HB GLU 16 -0.772 7.954 -17.425
105 HB3 GLU 16 3HB GLU 16 -2.489 7.968 -17.799
106 HG2 GLU 16 2HG GLU 16 -1.707 7.384 -19.834
107 HG3 GLU 16 3HG GLU 16 -1.604 9.134 -20.012
108 H ASN 17 H ASN 17 -3.505 10.163 -15.871
109 HA ASN 17 HA ASN 17 -5.387 11.260 -17.857
110 HB2 ASN 17 2HB ASN 17 -5.773 9.254 -15.670
111 HB3 ASN 17 3HB ASN 17 -7.118 10.299 -16.116
112 HD21 ASN 17 1HD2 ASN 17 -8.366 8.681 -16.962
113 HD22 ASN 17 2HD2 ASN 17 -7.973 7.850 -18.424
114 H THR 18 H THR 18 -4.045 13.208 -16.938
115 HA THR 18 HA THR 18 -4.519 14.222 -14.383
116 HB THR 18 HB THR 18 -4.312 16.507 -15.840
117 HG1 THR 18 HG1 THR 18 -4.279 15.084 -17.774
118 HG21 THR 18 3HG2 THR 18 -2.618 14.840 -14.292
119 HG22 THR 18 1HG2 THR 18 -2.446 16.563 -14.626
120 HG23 THR 18 2HG2 THR 18 -1.700 15.378 -15.698
Start of MODEL 5
1 H1 VAL 1 H VAL 1 1.203 -0.653 0.440
2 HA VAL 1 HA VAL 1 3.153 0.788 -1.051
3 HB VAL 1 HB VAL 1 3.328 -1.631 -0.742
4 HG11 VAL 1 1HG1 VAL 1 1.099 -2.385 -0.747
5 HG12 VAL 1 2HG1 VAL 1 0.776 -1.674 -2.329
6 HG13 VAL 1 3HG1 VAL 1 1.828 -3.083 -2.193
7 HG21 VAL 1 3HG2 VAL 1 4.384 -0.535 -2.695
8 HG22 VAL 1 1HG2 VAL 1 3.965 -2.222 -2.994
9 HG23 VAL 1 2HG2 VAL 1 2.959 -0.933 -3.654
10 H TYR 2 H TYR 2 -0.239 0.480 -1.301
11 HA TYR 2 HA TYR 2 -0.163 1.643 -4.008
12 HB2 TYR 2 2HB TYR 2 -1.217 -0.722 -3.616
13 HB3 TYR 2 3HB TYR 2 -2.574 0.196 -2.972
14 HD1 TYR 2 HD2 TYR 2 -0.630 -0.583 -5.986
15 HD2 TYR 2 HD1 TYR 2 -3.984 1.517 -4.422
16 HE1 TYR 2 HE2 TYR 2 -1.472 -0.238 -8.271
17 HE2 TYR 2 HE1 TYR 2 -4.836 1.866 -6.702
18 HH TYR 2 HH TYR 2 -2.940 1.126 -9.506
19 HA PRO 3 HA PRO 3 -2.075 4.625 -0.937
20 HB2 PRO 3 2HB PRO 3 -0.439 6.709 -1.528
21 HB3 PRO 3 3HB PRO 3 -0.049 5.501 -0.298
22 HG2 PRO 3 2HG PRO 3 0.906 5.699 -3.128
23 HG3 PRO 3 3HG PRO 3 1.824 5.310 -1.662
24 HD2 PRO 3 2HD PRO 3 0.972 3.411 -3.394
25 HD3 PRO 3 3HD PRO 3 1.117 3.116 -1.649
26 H PHE 4 H PHE 4 -1.890 4.118 -4.180
27 HA PHE 4 HA PHE 4 -2.716 6.598 -5.261
28 HB2 PHE 4 2HB PHE 4 -3.307 3.851 -6.373
29 HB3 PHE 4 3HB PHE 4 -3.242 5.367 -7.264
30 HD1 PHE 4 HD2 PHE 4 -1.229 2.848 -5.486
31 HD2 PHE 4 HD1 PHE 4 -1.185 6.260 -8.030
32 HE1 PHE 4 HE2 PHE 4 1.155 2.462 -5.956
33 HE2 PHE 4 HE1 PHE 4 1.199 5.879 -8.505
34 HZ PHE 4 HZ PHE 4 2.372 3.980 -7.466
35 H MET 5 H MET 5 -4.920 4.261 -6.257
36 HA MET 5 HA MET 5 -7.211 5.635 -5.854
37 HB2 MET 5 2HB MET 5 -6.533 2.865 -6.327
38 HB3 MET 5 3HB MET 5 -7.966 2.988 -5.315
39 HG2 MET 5 2HG MET 5 -7.946 4.774 -7.639
40 HG3 MET 5 3HG MET 5 -7.967 3.055 -8.021
41 HE1 MET 5 3HE MET 5 -10.629 2.932 -9.060
42 HE2 MET 5 1HE MET 5 -11.651 4.263 -8.518
43 HE3 MET 5 2HE MET 5 -10.034 4.591 -9.143
44 H TRP 6 H TRP 6 -5.522 3.685 -3.466
45 HA TRP 6 HA TRP 6 -7.300 3.346 -1.462
46 HB2 TRP 6 2HB TRP 6 -4.435 3.639 -1.632
47 HB3 TRP 6 3HB TRP 6 -5.033 4.372 -0.145
48 HD1 TRP 6 HD1 TRP 6 -4.327 1.041 -1.733
49 HE1 TRP 6 HE1 TRP 6 -4.893 -0.844 -0.074
50 HE3 TRP 6 HE3 TRP 6 -6.781 3.787 1.813
51 HZ2 TRP 6 HZ2 TRP 6 -6.206 -1.130 2.408
52 HZ3 TRP 6 HZ3 TRP 6 -7.662 2.632 3.799
53 HH2 TRP 6 HH2 TRP 6 -7.379 0.224 4.088
54 H GLY 7 H GLY 7 -5.158 6.187 -1.296
55 HA2 GLY 7 2HA GLY 7 -7.308 7.631 0.078
56 HA3 GLY 7 3HA GLY 7 -5.607 8.074 0.070
57 H GLY 8 H GLY 8 -6.180 7.323 -3.029
58 HA2 GLY 8 2HA GLY 8 -7.655 8.869 -4.480
59 HA3 GLY 8 3HA GLY 8 -6.719 10.137 -3.702
60 H ALA 9 H ALA 9 -6.703 7.589 -6.061
61 HA ALA 9 HA ALA 9 -4.049 7.338 -6.715
62 HB1 ALA 9 1HB ALA 9 -6.430 7.409 -8.561
63 HB2 ALA 9 2HB ALA 9 -4.819 6.866 -9.030
64 HB3 ALA 9 3HB ALA 9 -5.717 5.991 -7.791
65 H TYR 10 H TYR 10 -2.518 8.601 -7.571
66 HA TYR 10 HA TYR 10 -3.320 11.078 -8.932
67 HB2 TYR 10 2HB TYR 10 -0.999 11.803 -7.640
68 HB3 TYR 10 3HB TYR 10 -2.628 12.234 -7.131
69 HD1 TYR 10 HD1 TYR 10 -0.960 8.915 -6.937
70 HD2 TYR 10 HD2 TYR 10 -2.472 12.267 -4.797
71 HE1 TYR 10 HE1 TYR 10 -0.610 7.713 -4.820
72 HE2 TYR 10 HE2 TYR 10 -2.126 11.075 -2.674
73 HH TYR 10 HH TYR 10 -1.982 8.611 -1.950
74 H CYS 11 H CYS 11 -2.162 8.341 -9.640
75 HA CYS 11 HA CYS 11 0.068 9.378 -11.255
76 HB2 CYS 11 2HB CYS 11 -0.070 6.835 -9.655
77 HB3 CYS 11 3HB CYS 11 0.988 6.965 -11.056
78 HG CYS 11 HG CYS 11 1.211 9.338 -8.642
79 H PHE 12 H PHE 12 -0.837 6.046 -11.369
80 HA PHE 12 HA PHE 12 -1.228 5.917 -14.087
81 HB2 PHE 12 2HB PHE 12 -2.215 3.762 -13.747
82 HB3 PHE 12 3HB PHE 12 -0.992 3.976 -12.499
83 HD1 PHE 12 HD1 PHE 12 -2.394 5.640 -10.544
84 HD2 PHE 12 HD2 PHE 12 -3.787 2.334 -12.835
85 HE1 PHE 12 HE1 PHE 12 -4.075 5.153 -8.814
86 HE2 PHE 12 HE2 PHE 12 -5.471 1.843 -11.109
87 HZ PHE 12 HZ PHE 12 -5.617 3.254 -9.096
88 H CYS 13 H CYS 13 -3.299 7.270 -11.742
89 HA CYS 13 HA CYS 13 -5.584 7.222 -13.589
90 HB2 CYS 13 2HB CYS 13 -5.358 7.603 -10.617
91 HB3 CYS 13 3HB CYS 13 -6.784 8.162 -11.484
92 HG CYS 13 HG CYS 13 -7.990 5.902 -11.504
93 H ASP 14 H ASP 14 -3.123 9.216 -12.363
94 HA ASP 14 HA ASP 14 -4.494 11.598 -13.426
95 HB2 ASP 14 2HB ASP 14 -3.242 11.166 -10.835
96 HB3 ASP 14 3HB ASP 14 -2.547 12.547 -11.679
97 H ALA 15 H ALA 15 -1.274 10.274 -12.665
98 HA ALA 15 HA ALA 15 0.394 11.905 -14.006
99 HB1 ALA 15 1HB ALA 15 1.254 9.350 -14.786
100 HB2 ALA 15 2HB ALA 15 1.780 10.287 -13.386
101 HB3 ALA 15 3HB ALA 15 0.444 9.146 -13.232
102 H GLU 16 H GLU 16 -1.638 9.418 -15.503
103 HA GLU 16 HA GLU 16 -0.884 10.456 -18.148
104 HB2 GLU 16 2HB GLU 16 -0.763 7.919 -17.419
105 HB3 GLU 16 3HB GLU 16 -2.479 7.954 -17.803
106 HG2 GLU 16 2HG GLU 16 -1.051 9.205 -19.921
107 HG3 GLU 16 3HG GLU 16 -0.291 7.657 -19.559
108 H ASN 17 H ASN 17 -3.473 10.178 -15.896
109 HA ASN 17 HA ASN 17 -5.328 11.292 -17.897
110 HB2 ASN 17 2HB ASN 17 -5.731 9.254 -15.756
111 HB3 ASN 17 3HB ASN 17 -7.062 10.351 -16.112
112 HD21 ASN 17 1HD2 ASN 17 -5.655 7.463 -16.891
113 HD22 ASN 17 2HD2 ASN 17 -6.394 7.200 -18.431
114 H THR 18 H THR 18 -4.049 13.260 -17.035
115 HA THR 18 HA THR 18 -4.660 14.246 -14.439
116 HB THR 18 HB THR 18 -3.954 16.096 -16.681
117 HG1 THR 18 HG1 THR 18 -2.265 14.115 -15.530
118 HG21 THR 18 3HG2 THR 18 -2.452 16.098 -14.159
119 HG22 THR 18 1HG2 THR 18 -4.177 16.419 -13.982
120 HG23 THR 18 2HG2 THR 18 -3.194 17.435 -15.037
Start of MODEL 6
1 H1 VAL 1 H VAL 1 1.824 -0.107 0.820
2 HA VAL 1 HA VAL 1 3.001 0.744 -1.021
3 HB VAL 1 HB VAL 1 3.306 -1.724 -0.877
4 HG11 VAL 1 1HG1 VAL 1 1.028 -2.411 -1.383
5 HG12 VAL 1 2HG1 VAL 1 1.184 -1.774 -3.021
6 HG13 VAL 1 3HG1 VAL 1 2.163 -3.150 -2.511
7 HG21 VAL 1 3HG2 VAL 1 3.515 -1.530 -3.720
8 HG22 VAL 1 1HG2 VAL 1 3.926 0.026 -2.999
9 HG23 VAL 1 2HG2 VAL 1 4.789 -1.431 -2.505
10 H TYR 2 H TYR 2 -0.313 0.402 -1.347
11 HA TYR 2 HA TYR 2 -0.244 1.587 -4.045
12 HB2 TYR 2 2HB TYR 2 -1.324 -0.769 -3.664
13 HB3 TYR 2 3HB TYR 2 -2.665 0.160 -3.004
14 HD1 TYR 2 HD2 TYR 2 -0.744 -0.609 -6.037
15 HD2 TYR 2 HD1 TYR 2 -4.073 1.501 -4.434
16 HE1 TYR 2 HE2 TYR 2 -1.596 -0.235 -8.314
17 HE2 TYR 2 HE1 TYR 2 -4.935 1.879 -6.706
18 HH TYR 2 HH TYR 2 -3.248 0.583 -9.551
19 HA PRO 3 HA PRO 3 -2.099 4.561 -0.930
20 HB2 PRO 3 2HB PRO 3 -0.439 6.630 -1.507
21 HB3 PRO 3 3HB PRO 3 -0.059 5.404 -0.292
22 HG2 PRO 3 2HG PRO 3 0.885 5.620 -3.125
23 HG3 PRO 3 3HG PRO 3 1.805 5.203 -1.668
24 HD2 PRO 3 2HD PRO 3 0.920 3.334 -3.416
25 HD3 PRO 3 3HD PRO 3 1.069 3.019 -1.675
26 H PHE 4 H PHE 4 -1.942 4.084 -4.177
27 HA PHE 4 HA PHE 4 -2.742 6.588 -5.227
28 HB2 PHE 4 2HB PHE 4 -3.369 3.861 -6.368
29 HB3 PHE 4 3HB PHE 4 -3.289 5.387 -7.242
30 HD1 PHE 4 HD2 PHE 4 -1.299 2.825 -5.500
31 HD2 PHE 4 HD1 PHE 4 -1.226 6.263 -8.008
32 HE1 PHE 4 HE2 PHE 4 1.079 2.417 -5.984
33 HE2 PHE 4 HE1 PHE 4 1.152 5.860 -8.497
34 HZ PHE 4 HZ PHE 4 2.307 3.936 -7.484
35 H MET 5 H MET 5 -4.976 4.287 -6.241
36 HA MET 5 HA MET 5 -7.250 5.681 -5.812
37 HB2 MET 5 2HB MET 5 -6.604 2.909 -6.317
38 HB3 MET 5 3HB MET 5 -8.032 3.038 -5.298
39 HG2 MET 5 2HG MET 5 -8.201 4.923 -7.446
40 HG3 MET 5 3HG MET 5 -7.865 3.314 -8.081
41 HE1 MET 5 3HE MET 5 -11.611 4.275 -8.535
42 HE2 MET 5 1HE MET 5 -9.971 4.450 -9.161
43 HE3 MET 5 2HE MET 5 -10.767 2.877 -9.201
44 H TRP 6 H TRP 6 -5.573 3.685 -3.452
45 HA TRP 6 HA TRP 6 -7.345 3.346 -1.444
46 HB2 TRP 6 2HB TRP 6 -4.479 3.607 -1.624
47 HB3 TRP 6 3HB TRP 6 -5.060 4.332 -0.128
48 HD1 TRP 6 HD1 TRP 6 -4.393 1.010 -1.746
49 HE1 TRP 6 HE1 TRP 6 -4.976 -0.885 -0.105
50 HE3 TRP 6 HE3 TRP 6 -6.818 3.747 1.827
51 HZ2 TRP 6 HZ2 TRP 6 -6.290 -1.181 2.375
52 HZ3 TRP 6 HZ3 TRP 6 -7.708 2.582 3.803
53 HH2 TRP 6 HH2 TRP 6 -7.449 0.169 4.069
54 H GLY 7 H GLY 7 -5.172 6.161 -1.260
55 HA2 GLY 7 2HA GLY 7 -7.300 7.614 0.139
56 HA3 GLY 7 3HA GLY 7 -5.594 8.038 0.129
57 H GLY 8 H GLY 8 -6.192 7.325 -2.976
58 HA2 GLY 8 2HA GLY 8 -7.653 8.904 -4.405
59 HA3 GLY 8 3HA GLY 8 -6.701 10.153 -3.615
60 H ALA 9 H ALA 9 -6.719 7.629 -6.001
61 HA ALA 9 HA ALA 9 -4.070 7.358 -6.668
62 HB1 ALA 9 1HB ALA 9 -4.851 6.916 -8.984
63 HB2 ALA 9 2HB ALA 9 -5.759 6.040 -7.751
64 HB3 ALA 9 3HB ALA 9 -6.455 7.473 -8.507
65 H TYR 10 H TYR 10 -2.530 8.615 -7.515
66 HA TYR 10 HA TYR 10 -3.311 11.113 -8.848
67 HB2 TYR 10 2HB TYR 10 -0.980 11.804 -7.558
68 HB3 TYR 10 3HB TYR 10 -2.603 12.241 -7.035
69 HD1 TYR 10 HD1 TYR 10 -0.964 8.906 -6.890
70 HD2 TYR 10 HD2 TYR 10 -2.427 12.248 -4.701
71 HE1 TYR 10 HE1 TYR 10 -0.612 7.676 -4.789
72 HE2 TYR 10 HE2 TYR 10 -2.078 11.028 -2.594
73 HH TYR 10 HH TYR 10 -0.330 8.912 -1.961
74 H CYS 11 H CYS 11 -2.185 8.373 -9.590
75 HA CYS 11 HA CYS 11 0.050 9.404 -11.202
76 HB2 CYS 11 2HB CYS 11 -0.109 6.845 -9.630
77 HB3 CYS 11 3HB CYS 11 0.945 6.979 -11.032
78 HG CYS 11 HG CYS 11 2.828 8.404 -9.940
79 H PHE 12 H PHE 12 -0.890 6.083 -11.349
80 HA PHE 12 HA PHE 12 -1.293 5.989 -14.067
81 HB2 PHE 12 2HB PHE 12 -2.299 3.841 -13.748
82 HB3 PHE 12 3HB PHE 12 -1.069 4.028 -12.503
83 HD1 PHE 12 HD1 PHE 12 -2.449 5.684 -10.524
84 HD2 PHE 12 HD2 PHE 12 -3.879 2.414 -12.844
85 HE1 PHE 12 HE1 PHE 12 -4.127 5.194 -8.793
86 HE2 PHE 12 HE2 PHE 12 -5.559 1.920 -11.117
87 HZ PHE 12 HZ PHE 12 -5.686 3.310 -9.088
88 H CYS 13 H CYS 13 -3.341 7.336 -11.698
89 HA CYS 13 HA CYS 13 -5.634 7.331 -13.536
90 HB2 CYS 13 2HB CYS 13 -5.391 7.677 -10.561
91 HB3 CYS 13 3HB CYS 13 -6.815 8.259 -11.415
92 HG CYS 13 HG CYS 13 -7.091 5.662 -10.104
93 H ASP 14 H ASP 14 -3.147 9.287 -12.300
94 HA ASP 14 HA ASP 14 -4.500 11.693 -13.331
95 HB2 ASP 14 2HB ASP 14 -3.235 11.222 -10.752
96 HB3 ASP 14 3HB ASP 14 -2.541 12.610 -11.584
97 H ALA 15 H ALA 15 -1.289 10.331 -12.597
98 HA ALA 15 HA ALA 15 0.388 11.960 -13.929
99 HB1 ALA 15 1HB ALA 15 0.415 9.192 -13.182
100 HB2 ALA 15 2HB ALA 15 1.223 9.406 -14.736
101 HB3 ALA 15 3HB ALA 15 1.760 10.323 -13.328
102 H GLU 16 H GLU 16 -1.672 9.506 -15.442
103 HA GLU 16 HA GLU 16 -0.934 10.583 -18.077
104 HB2 GLU 16 2HB GLU 16 -0.771 8.038 -17.390
105 HB3 GLU 16 3HB GLU 16 -2.489 8.052 -17.762
106 HG2 GLU 16 2HG GLU 16 -2.120 8.578 -20.007
107 HG3 GLU 16 3HG GLU 16 -0.462 9.094 -19.705
108 H ASN 17 H ASN 17 -3.505 10.229 -15.814
109 HA ASN 17 HA ASN 17 -5.395 11.331 -17.790
110 HB2 ASN 17 2HB ASN 17 -5.764 9.318 -15.609
111 HB3 ASN 17 3HB ASN 17 -7.113 10.367 -16.031
112 HD21 ASN 17 1HD2 ASN 17 -5.843 7.440 -16.575
113 HD22 ASN 17 2HD2 ASN 17 -6.448 7.129 -18.164
114 H THR 18 H THR 18 -4.099 13.302 -16.917
115 HA THR 18 HA THR 18 -4.976 14.266 -14.333
116 HB THR 18 HB THR 18 -2.716 14.806 -15.027
117 HG1 THR 18 HG1 THR 18 -3.511 16.414 -13.764
118 HG21 THR 18 3HG2 THR 18 -3.245 16.787 -17.034
119 HG22 THR 18 1HG2 THR 18 -3.895 15.231 -17.548
120 HG23 THR 18 2HG2 THR 18 -2.191 15.376 -17.116
Start of MODEL 7
1 H1 VAL 1 H VAL 1 1.859 0.175 0.902
2 HA VAL 1 HA VAL 1 3.071 0.727 -0.988
3 HB VAL 1 HB VAL 1 3.262 -1.735 -0.739
4 HG11 VAL 1 1HG1 VAL 1 0.933 -2.329 -1.128
5 HG12 VAL 1 2HG1 VAL 1 1.065 -1.798 -2.806
6 HG13 VAL 1 3HG1 VAL 1 1.991 -3.190 -2.245
7 HG21 VAL 1 3HG2 VAL 1 4.198 -2.142 -2.923
8 HG22 VAL 1 1HG2 VAL 1 3.237 -0.837 -3.618
9 HG23 VAL 1 2HG2 VAL 1 4.518 -0.470 -2.463
10 H TYR 2 H TYR 2 -0.285 0.389 -1.320
11 HA TYR 2 HA TYR 2 -0.178 1.581 -4.014
12 HB2 TYR 2 2HB TYR 2 -1.236 -0.789 -3.658
13 HB3 TYR 2 3HB TYR 2 -2.601 0.122 -3.022
14 HD1 TYR 2 HD2 TYR 2 -0.615 -0.622 -6.019
15 HD2 TYR 2 HD1 TYR 2 -3.995 1.452 -4.477
16 HE1 TYR 2 HE2 TYR 2 -1.428 -0.254 -8.311
17 HE2 TYR 2 HE1 TYR 2 -4.818 1.825 -6.765
18 HH TYR 2 HH TYR 2 -3.286 0.328 -9.534
19 HA PRO 3 HA PRO 3 -2.128 4.529 -0.933
20 HB2 PRO 3 2HB PRO 3 -0.488 6.621 -1.485
21 HB3 PRO 3 3HB PRO 3 -0.110 5.400 -0.263
22 HG2 PRO 3 2HG PRO 3 0.876 5.628 -3.081
23 HG3 PRO 3 3HG PRO 3 1.778 5.225 -1.609
24 HD2 PRO 3 2HD PRO 3 0.947 3.343 -3.369
25 HD3 PRO 3 3HD PRO 3 1.073 3.030 -1.626
26 H PHE 4 H PHE 4 -1.910 4.053 -4.178
27 HA PHE 4 HA PHE 4 -2.728 6.545 -5.242
28 HB2 PHE 4 2HB PHE 4 -3.298 3.808 -6.389
29 HB3 PHE 4 3HB PHE 4 -3.231 5.334 -7.264
30 HD1 PHE 4 HD2 PHE 4 -1.224 2.805 -5.492
31 HD2 PHE 4 HD1 PHE 4 -1.171 6.243 -8.000
32 HE1 PHE 4 HE2 PHE 4 1.166 2.436 -5.942
33 HE2 PHE 4 HE1 PHE 4 1.219 5.879 -8.455
34 HZ PHE 4 HZ PHE 4 2.392 3.974 -7.425
35 H MET 5 H MET 5 -4.915 4.215 -6.289
36 HA MET 5 HA MET 5 -7.214 5.579 -5.896
37 HB2 MET 5 2HB MET 5 -6.524 2.816 -6.393
38 HB3 MET 5 3HB MET 5 -7.969 2.925 -5.396
39 HG2 MET 5 2HG MET 5 -8.418 4.803 -7.352
40 HG3 MET 5 3HG MET 5 -7.595 3.507 -8.216
41 HE1 MET 5 3HE MET 5 -10.965 3.978 -5.736
42 HE2 MET 5 1HE MET 5 -10.539 5.021 -7.093
43 HE3 MET 5 2HE MET 5 -11.849 3.851 -7.257
44 H TRP 6 H TRP 6 -5.548 3.605 -3.511
45 HA TRP 6 HA TRP 6 -7.348 3.242 -1.532
46 HB2 TRP 6 2HB TRP 6 -4.482 3.541 -1.665
47 HB3 TRP 6 3HB TRP 6 -5.098 4.252 -0.176
48 HD1 TRP 6 HD1 TRP 6 -4.365 0.945 -1.800
49 HE1 TRP 6 HE1 TRP 6 -4.947 -0.965 -0.175
50 HE3 TRP 6 HE3 TRP 6 -6.872 3.636 1.751
51 HZ2 TRP 6 HZ2 TRP 6 -6.292 -1.287 2.286
52 HZ3 TRP 6 HZ3 TRP 6 -7.776 2.452 3.709
53 HH2 TRP 6 HH2 TRP 6 -7.491 0.041 3.969
54 H GLY 7 H GLY 7 -5.210 6.080 -1.305
55 HA2 GLY 7 2HA GLY 7 -7.375 7.507 0.062
56 HA3 GLY 7 3HA GLY 7 -5.675 7.953 0.073
57 H GLY 8 H GLY 8 -6.219 7.235 -3.039
58 HA2 GLY 8 2HA GLY 8 -7.683 8.793 -4.487
59 HA3 GLY 8 3HA GLY 8 -6.760 10.055 -3.684
60 H ALA 9 H ALA 9 -6.709 7.532 -6.070
61 HA ALA 9 HA ALA 9 -4.049 7.299 -6.701
62 HB1 ALA 9 1HB ALA 9 -6.411 7.381 -8.571
63 HB2 ALA 9 2HB ALA 9 -4.793 6.847 -9.028
64 HB3 ALA 9 3HB ALA 9 -5.703 5.957 -7.807
65 H TYR 10 H TYR 10 -2.514 8.576 -7.528
66 HA TYR 10 HA TYR 10 -3.312 11.065 -8.869
67 HB2 TYR 10 2HB TYR 10 -1.007 11.785 -7.547
68 HB3 TYR 10 3HB TYR 10 -2.642 12.202 -7.048
69 HD1 TYR 10 HD1 TYR 10 -0.962 8.888 -6.879
70 HD2 TYR 10 HD2 TYR 10 -2.503 12.210 -4.712
71 HE1 TYR 10 HE1 TYR 10 -0.625 7.663 -4.773
72 HE2 TYR 10 HE2 TYR 10 -2.169 10.995 -2.600
73 HH TYR 10 HH TYR 10 -1.835 8.869 -1.732
74 H CYS 11 H CYS 11 -2.138 8.340 -9.597
75 HA CYS 11 HA CYS 11 0.104 9.403 -11.179
76 HB2 CYS 11 2HB CYS 11 -0.040 6.842 -9.609
77 HB3 CYS 11 3HB CYS 11 1.030 6.991 -10.997
78 HG CYS 11 HG CYS 11 1.652 9.615 -9.269
79 H PHE 12 H PHE 12 -0.788 6.069 -11.338
80 HA PHE 12 HA PHE 12 -1.153 5.969 -14.061
81 HB2 PHE 12 2HB PHE 12 -2.134 3.807 -13.755
82 HB3 PHE 12 3HB PHE 12 -0.924 4.012 -12.493
83 HD1 PHE 12 HD1 PHE 12 -2.351 5.647 -10.533
84 HD2 PHE 12 HD2 PHE 12 -3.709 2.362 -12.874
85 HE1 PHE 12 HE1 PHE 12 -4.046 5.135 -8.825
86 HE2 PHE 12 HE2 PHE 12 -5.407 1.845 -11.170
87 HZ PHE 12 HZ PHE 12 -5.578 3.233 -9.143
88 H CYS 13 H CYS 13 -3.251 7.289 -11.721
89 HA CYS 13 HA CYS 13 -5.518 7.253 -13.590
90 HB2 CYS 13 2HB CYS 13 -5.321 7.601 -10.612
91 HB3 CYS 13 3HB CYS 13 -6.741 8.164 -11.486
92 HG CYS 13 HG CYS 13 -6.853 5.503 -10.157
93 H ASP 14 H ASP 14 -3.076 9.241 -12.319
94 HA ASP 14 HA ASP 14 -4.446 11.630 -13.369
95 HB2 ASP 14 2HB ASP 14 -3.211 11.175 -10.772
96 HB3 ASP 14 3HB ASP 14 -2.525 12.573 -11.595
97 H ALA 15 H ALA 15 -1.228 10.310 -12.590
98 HA ALA 15 HA ALA 15 0.446 11.963 -13.897
99 HB1 ALA 15 1HB ALA 15 1.830 10.346 -13.274
100 HB2 ALA 15 2HB ALA 15 0.499 9.193 -13.154
101 HB3 ALA 15 3HB ALA 15 1.330 9.424 -14.693
102 H GLU 16 H GLU 16 -1.559 9.481 -15.440
103 HA GLU 16 HA GLU 16 -0.790 10.559 -18.066
104 HB2 GLU 16 2HB GLU 16 -0.633 8.016 -17.369
105 HB3 GLU 16 3HB GLU 16 -2.346 8.026 -17.766
106 HG2 GLU 16 2HG GLU 16 -1.500 9.168 -19.971
107 HG3 GLU 16 3HG GLU 16 0.014 8.378 -19.537
108 H ASN 17 H ASN 17 -3.394 10.209 -15.841
109 HA ASN 17 HA ASN 17 -5.249 11.320 -17.844
110 HB2 ASN 17 2HB ASN 17 -5.647 9.255 -15.724
111 HB3 ASN 17 3HB ASN 17 -6.992 10.325 -16.108
112 HD21 ASN 17 1HD2 ASN 17 -7.391 10.548 -18.527
113 HD22 ASN 17 2HD2 ASN 17 -7.358 9.080 -19.438
114 H THR 18 H THR 18 -4.015 13.298 -16.943
115 HA THR 18 HA THR 18 -4.758 14.223 -14.336
116 HB THR 18 HB THR 18 -2.659 14.950 -15.393
117 HG1 THR 18 HG1 THR 18 -3.069 17.286 -15.029
118 HG21 THR 18 3HG2 THR 18 -3.429 15.077 -17.710
119 HG22 THR 18 1HG2 THR 18 -2.703 16.602 -17.206
120 HG23 THR 18 2HG2 THR 18 -4.457 16.450 -17.303
Start of MODEL 8
1 H1 VAL 1 H VAL 1 0.852 -0.546 0.104
2 HA VAL 1 HA VAL 1 3.189 0.818 -1.052
3 HB VAL 1 HB VAL 1 3.425 -1.617 -0.803
4 HG11 VAL 1 1HG1 VAL 1 2.063 -3.104 -2.253
5 HG12 VAL 1 2HG1 VAL 1 1.131 -2.315 -0.978
6 HG13 VAL 1 3HG1 VAL 1 1.035 -1.723 -2.637
7 HG21 VAL 1 3HG2 VAL 1 4.535 -0.394 -2.652
8 HG22 VAL 1 1HG2 VAL 1 4.202 -2.083 -3.036
9 HG23 VAL 1 2HG2 VAL 1 3.178 -0.809 -3.699
10 H TYR 2 H TYR 2 -0.181 0.430 -1.339
11 HA TYR 2 HA TYR 2 -0.118 1.645 -4.025
12 HB2 TYR 2 2HB TYR 2 -1.125 -0.750 -3.678
13 HB3 TYR 2 3HB TYR 2 -2.504 0.129 -3.027
14 HD1 TYR 2 HD2 TYR 2 -0.523 -0.554 -6.041
15 HD2 TYR 2 HD1 TYR 2 -3.934 1.440 -4.464
16 HE1 TYR 2 HE2 TYR 2 -1.358 -0.188 -8.326
17 HE2 TYR 2 HE1 TYR 2 -4.779 1.811 -6.744
18 HH TYR 2 HH TYR 2 -4.412 0.558 -9.069
19 HA PRO 3 HA PRO 3 -2.104 4.529 -0.908
20 HB2 PRO 3 2HB PRO 3 -0.511 6.658 -1.456
21 HB3 PRO 3 3HB PRO 3 -0.100 5.437 -0.246
22 HG2 PRO 3 2HG PRO 3 0.860 5.705 -3.069
23 HG3 PRO 3 3HG PRO 3 1.782 5.310 -1.607
24 HD2 PRO 3 2HD PRO 3 0.976 3.424 -3.376
25 HD3 PRO 3 3HD PRO 3 1.121 3.102 -1.636
26 H PHE 4 H PHE 4 -1.901 4.082 -4.157
27 HA PHE 4 HA PHE 4 -2.776 6.564 -5.198
28 HB2 PHE 4 2HB PHE 4 -3.304 3.824 -6.359
29 HB3 PHE 4 3HB PHE 4 -3.272 5.357 -7.224
30 HD1 PHE 4 HD2 PHE 4 -1.206 2.853 -5.484
31 HD2 PHE 4 HD1 PHE 4 -1.235 6.308 -7.970
32 HE1 PHE 4 HE2 PHE 4 1.187 2.530 -5.955
33 HE2 PHE 4 HE1 PHE 4 1.158 5.989 -8.446
34 HZ PHE 4 HZ PHE 4 2.373 4.099 -7.437
35 H MET 5 H MET 5 -4.928 4.204 -6.247
36 HA MET 5 HA MET 5 -7.249 5.521 -5.823
37 HB2 MET 5 2HB MET 5 -6.512 2.774 -6.346
38 HB3 MET 5 3HB MET 5 -7.953 2.851 -5.341
39 HG2 MET 5 2HG MET 5 -9.050 4.262 -6.978
40 HG3 MET 5 3HG MET 5 -7.596 4.265 -7.973
41 HE1 MET 5 3HE MET 5 -10.760 2.885 -7.035
42 HE2 MET 5 1HE MET 5 -10.995 1.405 -7.966
43 HE3 MET 5 2HE MET 5 -10.183 1.342 -6.402
44 H TRP 6 H TRP 6 -5.528 3.556 -3.469
45 HA TRP 6 HA TRP 6 -7.302 3.140 -1.478
46 HB2 TRP 6 2HB TRP 6 -4.445 3.497 -1.633
47 HB3 TRP 6 3HB TRP 6 -5.061 4.192 -0.136
48 HD1 TRP 6 HD1 TRP 6 -4.268 0.907 -1.769
49 HE1 TRP 6 HE1 TRP 6 -4.803 -1.019 -0.148
50 HE3 TRP 6 HE3 TRP 6 -6.821 3.534 1.797
51 HZ2 TRP 6 HZ2 TRP 6 -6.132 -1.377 2.317
52 HZ3 TRP 6 HZ3 TRP 6 -7.691 2.325 3.755
53 HH2 TRP 6 HH2 TRP 6 -7.354 -0.079 4.008
54 H GLY 7 H GLY 7 -5.227 6.027 -1.257
55 HA2 GLY 7 2HA GLY 7 -7.413 7.394 0.139
56 HA3 GLY 7 3HA GLY 7 -5.723 7.875 0.148
57 H GLY 8 H GLY 8 -6.267 7.172 -2.968
58 HA2 GLY 8 2HA GLY 8 -7.770 8.717 -4.393
59 HA3 GLY 8 3HA GLY 8 -6.862 9.987 -3.587
60 H ALA 9 H ALA 9 -6.786 7.481 -5.991
61 HA ALA 9 HA ALA 9 -4.126 7.300 -6.643
62 HB1 ALA 9 1HB ALA 9 -5.767 5.936 -7.743
63 HB2 ALA 9 2HB ALA 9 -6.500 7.351 -8.498
64 HB3 ALA 9 3HB ALA 9 -4.877 6.845 -8.965
65 H TYR 10 H TYR 10 -2.621 8.609 -7.475
66 HA TYR 10 HA TYR 10 -3.474 11.092 -8.794
67 HB2 TYR 10 2HB TYR 10 -1.171 11.844 -7.486
68 HB3 TYR 10 3HB TYR 10 -2.810 12.230 -6.972
69 HD1 TYR 10 HD1 TYR 10 -1.069 8.945 -6.835
70 HD2 TYR 10 HD2 TYR 10 -2.655 12.226 -4.637
71 HE1 TYR 10 HE1 TYR 10 -0.695 7.714 -4.739
72 HE2 TYR 10 HE2 TYR 10 -2.284 11.004 -2.535
73 HH TYR 10 HH TYR 10 -1.770 9.007 -1.632
74 H CYS 11 H CYS 11 -2.257 8.393 -9.547
75 HA CYS 11 HA CYS 11 -0.049 9.505 -11.142
76 HB2 CYS 11 2HB CYS 11 -0.131 6.934 -9.585
77 HB3 CYS 11 3HB CYS 11 0.924 7.110 -10.981
78 HG CYS 11 HG CYS 11 1.060 8.865 -8.054
79 H PHE 12 H PHE 12 -0.885 6.157 -11.310
80 HA PHE 12 HA PHE 12 -1.270 6.065 -14.031
81 HB2 PHE 12 2HB PHE 12 -2.205 3.883 -13.729
82 HB3 PHE 12 3HB PHE 12 -0.990 4.104 -12.475
83 HD1 PHE 12 HD1 PHE 12 -2.431 5.698 -10.493
84 HD2 PHE 12 HD2 PHE 12 -3.748 2.405 -12.846
85 HE1 PHE 12 HE1 PHE 12 -4.103 5.144 -8.775
86 HE2 PHE 12 HE2 PHE 12 -5.422 1.846 -11.133
87 HZ PHE 12 HZ PHE 12 -5.602 3.216 -9.094
88 H CYS 13 H CYS 13 -3.366 7.341 -11.669
89 HA CYS 13 HA CYS 13 -5.650 7.270 -13.517
90 HB2 CYS 13 2HB CYS 13 -5.435 7.603 -10.539
91 HB3 CYS 13 3HB CYS 13 -6.872 8.144 -11.397
92 HG CYS 13 HG CYS 13 -7.030 5.515 -10.098
93 H ASP 14 H ASP 14 -3.233 9.295 -12.259
94 HA ASP 14 HA ASP 14 -4.657 11.664 -13.279
95 HB2 ASP 14 2HB ASP 14 -3.396 11.215 -10.694
96 HB3 ASP 14 3HB ASP 14 -2.737 12.629 -11.513
97 H ALA 15 H ALA 15 -1.414 10.384 -12.546
98 HA ALA 15 HA ALA 15 0.209 12.091 -13.869
99 HB1 ALA 15 1HB ALA 15 1.182 9.586 -14.641
100 HB2 ALA 15 2HB ALA 15 1.632 10.518 -13.213
101 HB3 ALA 15 3HB ALA 15 0.342 9.320 -13.113
102 H GLU 16 H GLU 16 -1.581 9.420 -15.393
103 HA GLU 16 HA GLU 16 -0.811 10.381 -18.035
104 HB2 GLU 16 2HB GLU 16 -0.996 7.884 -17.194
105 HB3 GLU 16 3HB GLU 16 -2.688 8.093 -17.625
106 HG2 GLU 16 2HG GLU 16 -1.573 9.027 -19.859
107 HG3 GLU 16 3HG GLU 16 -0.294 7.927 -19.347
108 H ASN 17 H ASN 17 -3.472 10.491 -15.848
109 HA ASN 17 HA ASN 17 -5.281 11.432 -17.958
110 HB2 ASN 17 2HB ASN 17 -5.758 9.692 -15.914
111 HB3 ASN 17 3HB ASN 17 -6.313 11.205 -15.204
112 HD21 ASN 17 1HD2 ASN 17 -7.166 8.610 -17.077
113 HD22 ASN 17 2HD2 ASN 17 -8.593 9.255 -17.808
114 H THR 18 H THR 18 -3.187 13.137 -17.285
115 HA THR 18 HA THR 18 -3.768 15.032 -15.302
116 HB THR 18 HB THR 18 -1.573 14.860 -16.438
117 HG1 THR 18 HG1 THR 18 -2.242 16.817 -15.346
118 HG21 THR 18 3HG2 THR 18 -1.237 15.265 -18.639
119 HG22 THR 18 1HG2 THR 18 -2.453 16.541 -18.698
120 HG23 THR 18 2HG2 THR 18 -2.946 14.849 -18.765
Start of MODEL 9
1 H1 VAL 1 H VAL 1 1.932 -0.282 0.801
2 HA VAL 1 HA VAL 1 3.194 0.901 -1.035
3 HB VAL 1 HB VAL 1 3.467 -1.523 -0.777
4 HG11 VAL 1 1HG1 VAL 1 1.081 -2.121 -0.973
5 HG12 VAL 1 2HG1 VAL 1 1.158 -1.774 -2.702
6 HG13 VAL 1 3HG1 VAL 1 2.113 -3.092 -2.023
7 HG21 VAL 1 3HG2 VAL 1 4.537 -0.302 -2.654
8 HG22 VAL 1 1HG2 VAL 1 4.231 -2.002 -3.009
9 HG23 VAL 1 2HG2 VAL 1 3.177 -0.758 -3.680
10 H TYR 2 H TYR 2 -0.171 0.471 -1.340
11 HA TYR 2 HA TYR 2 -0.106 1.677 -4.029
12 HB2 TYR 2 2HB TYR 2 -1.084 -0.729 -3.683
13 HB3 TYR 2 3HB TYR 2 -2.478 0.133 -3.041
14 HD1 TYR 2 HD2 TYR 2 -0.475 -0.534 -6.044
15 HD2 TYR 2 HD1 TYR 2 -3.917 1.426 -4.488
16 HE1 TYR 2 HE2 TYR 2 -1.304 -0.184 -8.333
17 HE2 TYR 2 HE1 TYR 2 -4.755 1.780 -6.773
18 HH TYR 2 HH TYR 2 -3.163 0.357 -9.555
19 HA PRO 3 HA PRO 3 -2.150 4.546 -0.936
20 HB2 PRO 3 2HB PRO 3 -0.580 6.693 -1.481
21 HB3 PRO 3 3HB PRO 3 -0.162 5.482 -0.264
22 HG2 PRO 3 2HG PRO 3 0.814 5.752 -3.082
23 HG3 PRO 3 3HG PRO 3 1.731 5.374 -1.612
24 HD2 PRO 3 2HD PRO 3 0.961 3.472 -3.379
25 HD3 PRO 3 3HD PRO 3 1.098 3.157 -1.638
26 H PHE 4 H PHE 4 -1.914 4.094 -4.185
27 HA PHE 4 HA PHE 4 -2.815 6.560 -5.238
28 HB2 PHE 4 2HB PHE 4 -3.299 3.810 -6.395
29 HB3 PHE 4 3HB PHE 4 -3.280 5.340 -7.264
30 HD1 PHE 4 HD2 PHE 4 -1.195 2.869 -5.503
31 HD2 PHE 4 HD1 PHE 4 -1.250 6.317 -7.998
32 HE1 PHE 4 HE2 PHE 4 1.206 2.575 -5.955
33 HE2 PHE 4 HE1 PHE 4 1.150 6.028 -8.455
34 HZ PHE 4 HZ PHE 4 2.382 4.156 -7.433
35 H MET 5 H MET 5 -4.927 4.163 -6.290
36 HA MET 5 HA MET 5 -7.268 5.452 -5.891
37 HB2 MET 5 2HB MET 5 -6.491 2.713 -6.396
38 HB3 MET 5 3HB MET 5 -7.937 2.774 -5.398
39 HG2 MET 5 2HG MET 5 -8.847 4.415 -7.127
40 HG3 MET 5 3HG MET 5 -7.518 3.876 -8.151
41 HE1 MET 5 3HE MET 5 -10.832 3.301 -6.606
42 HE2 MET 5 1HE MET 5 -11.348 1.682 -7.081
43 HE3 MET 5 2HE MET 5 -10.219 1.890 -5.742
44 H TRP 6 H TRP 6 -5.536 3.526 -3.514
45 HA TRP 6 HA TRP 6 -7.323 3.100 -1.533
46 HB2 TRP 6 2HB TRP 6 -4.467 3.490 -1.669
47 HB3 TRP 6 3HB TRP 6 -5.105 4.175 -0.177
48 HD1 TRP 6 HD1 TRP 6 -4.273 0.898 -1.815
49 HE1 TRP 6 HE1 TRP 6 -4.791 -1.034 -0.195
50 HE3 TRP 6 HE3 TRP 6 -6.849 3.499 1.753
51 HZ2 TRP 6 HZ2 TRP 6 -6.117 -1.406 2.269
52 HZ3 TRP 6 HZ3 TRP 6 -7.710 2.280 3.710
53 HH2 TRP 6 HH2 TRP 6 -7.350 -0.122 3.960
54 H GLY 7 H GLY 7 -5.274 6.002 -1.299
55 HA2 GLY 7 2HA GLY 7 -7.481 7.357 0.074
56 HA3 GLY 7 3HA GLY 7 -5.796 7.856 0.086
57 H GLY 8 H GLY 8 -6.325 7.129 -3.029
58 HA2 GLY 8 2HA GLY 8 -7.836 8.646 -4.470
59 HA3 GLY 8 3HA GLY 8 -6.952 9.934 -3.665
60 H ALA 9 H ALA 9 -6.827 7.425 -6.062
61 HA ALA 9 HA ALA 9 -4.160 7.275 -6.694
62 HB1 ALA 9 1HB ALA 9 -5.775 5.888 -7.804
63 HB2 ALA 9 2HB ALA 9 -6.524 7.293 -8.564
64 HB3 ALA 9 3HB ALA 9 -4.891 6.808 -9.022
65 H TYR 10 H TYR 10 -2.667 8.602 -7.518
66 HA TYR 10 HA TYR 10 -3.541 11.071 -8.848
67 HB2 TYR 10 2HB TYR 10 -1.257 11.853 -7.525
68 HB3 TYR 10 3HB TYR 10 -2.904 12.222 -7.025
69 HD1 TYR 10 HD1 TYR 10 -1.126 8.959 -6.864
70 HD2 TYR 10 HD2 TYR 10 -2.771 12.226 -4.690
71 HE1 TYR 10 HE1 TYR 10 -0.756 7.738 -4.761
72 HE2 TYR 10 HE2 TYR 10 -2.404 11.014 -2.581
73 HH TYR 10 HH TYR 10 -1.738 9.118 -1.639
74 H CYS 11 H CYS 11 -2.284 8.386 -9.587
75 HA CYS 11 HA CYS 11 -0.079 9.523 -11.168
76 HB2 CYS 11 2HB CYS 11 -0.141 6.954 -9.606
77 HB3 CYS 11 3HB CYS 11 0.923 7.141 -10.995
78 HG CYS 11 HG CYS 11 2.433 9.176 -9.937
79 H PHE 12 H PHE 12 -0.872 6.164 -11.335
80 HA PHE 12 HA PHE 12 -1.235 6.062 -14.058
81 HB2 PHE 12 2HB PHE 12 -2.147 3.869 -13.759
82 HB3 PHE 12 3HB PHE 12 -0.943 4.107 -12.496
83 HD1 PHE 12 HD1 PHE 12 -2.419 5.690 -10.529
84 HD2 PHE 12 HD2 PHE 12 -3.675 2.372 -12.882
85 HE1 PHE 12 HE1 PHE 12 -4.096 5.118 -8.822
86 HE2 PHE 12 HE2 PHE 12 -5.354 1.796 -11.179
87 HZ PHE 12 HZ PHE 12 -5.567 3.170 -9.146
88 H CYS 13 H CYS 13 -3.365 7.317 -11.715
89 HA CYS 13 HA CYS 13 -5.635 7.213 -13.579
90 HB2 CYS 13 2HB CYS 13 -5.445 7.556 -10.600
91 HB3 CYS 13 3HB CYS 13 -6.883 8.077 -11.470
92 HG CYS 13 HG CYS 13 -8.012 5.781 -11.457
93 H ASP 14 H ASP 14 -3.252 9.271 -12.307
94 HA ASP 14 HA ASP 14 -4.698 11.620 -13.345
95 HB2 ASP 14 2HB ASP 14 -3.448 11.193 -10.750
96 HB3 ASP 14 3HB ASP 14 -2.805 12.614 -11.567
97 H ALA 15 H ALA 15 -1.444 10.382 -12.583
98 HA ALA 15 HA ALA 15 0.167 12.106 -13.899
99 HB1 ALA 15 1HB ALA 15 1.605 10.554 -13.227
100 HB2 ALA 15 2HB ALA 15 0.329 9.339 -13.135
101 HB3 ALA 15 3HB ALA 15 1.178 9.612 -14.656
102 H GLU 16 H GLU 16 -1.583 9.412 -15.429
103 HA GLU 16 HA GLU 16 -0.803 10.375 -18.067
104 HB2 GLU 16 2HB GLU 16 -0.964 7.878 -17.221
105 HB3 GLU 16 3HB GLU 16 -2.654 8.065 -17.666
106 HG2 GLU 16 2HG GLU 16 -1.957 8.714 -19.937
107 HG3 GLU 16 3HG GLU 16 -0.279 8.428 -19.477
108 H ASN 17 H ASN 17 -3.481 10.458 -15.901
109 HA ASN 17 HA ASN 17 -5.285 11.373 -18.026
110 HB2 ASN 17 2HB ASN 17 -5.757 9.628 -15.986
111 HB3 ASN 17 3HB ASN 17 -6.338 11.134 -15.281
112 HD21 ASN 17 1HD2 ASN 17 -8.470 11.028 -15.396
113 HD22 ASN 17 2HD2 ASN 17 -9.384 10.685 -16.822
114 H THR 18 H THR 18 -3.221 13.106 -17.341
115 HA THR 18 HA THR 18 -3.698 14.978 -15.363
116 HB THR 18 HB THR 18 -2.388 16.557 -16.664
117 HG1 THR 18 HG1 THR 18 -2.681 16.512 -18.755
118 HG21 THR 18 3HG2 THR 18 -0.394 15.366 -16.718
119 HG22 THR 18 1HG2 THR 18 -1.170 13.897 -17.309
120 HG23 THR 18 2HG2 THR 18 -1.386 14.394 -15.631
Start of MODEL 10
1 H1 VAL 1 H VAL 1 0.975 0.951 0.183
2 HA VAL 1 HA VAL 1 3.281 0.921 -1.073
3 HB VAL 1 HB VAL 1 3.538 -1.490 -0.785
4 HG11 VAL 1 1HG1 VAL 1 1.121 -2.039 -0.863
5 HG12 VAL 1 2HG1 VAL 1 1.157 -1.790 -2.610
6 HG13 VAL 1 3HG1 VAL 1 2.109 -3.084 -1.883
7 HG21 VAL 1 3HG2 VAL 1 4.175 -2.050 -3.046
8 HG22 VAL 1 1HG2 VAL 1 3.123 -0.789 -3.689
9 HG23 VAL 1 2HG2 VAL 1 4.544 -0.353 -2.739
10 H TYR 2 H TYR 2 -0.101 0.494 -1.332
11 HA TYR 2 HA TYR 2 -0.060 1.691 -4.026
12 HB2 TYR 2 2HB TYR 2 -1.027 -0.717 -3.663
13 HB3 TYR 2 3HB TYR 2 -2.420 0.143 -3.015
14 HD1 TYR 2 HD2 TYR 2 -0.437 -0.531 -6.029
15 HD2 TYR 2 HD1 TYR 2 -3.872 1.427 -4.456
16 HE1 TYR 2 HE2 TYR 2 -1.283 -0.193 -8.314
17 HE2 TYR 2 HE1 TYR 2 -4.728 1.769 -6.736
18 HH TYR 2 HH TYR 2 -3.119 0.368 -9.533
19 HA PRO 3 HA PRO 3 -2.092 4.563 -0.927
20 HB2 PRO 3 2HB PRO 3 -0.533 6.714 -1.489
21 HB3 PRO 3 3HB PRO 3 -0.103 5.507 -0.271
22 HG2 PRO 3 2HG PRO 3 0.853 5.773 -3.095
23 HG3 PRO 3 3HG PRO 3 1.781 5.401 -1.630
24 HD2 PRO 3 2HD PRO 3 1.006 3.492 -3.387
25 HD3 PRO 3 3HD PRO 3 1.156 3.183 -1.646
26 H PHE 4 H PHE 4 -1.878 4.101 -4.175
27 HA PHE 4 HA PHE 4 -2.792 6.561 -5.232
28 HB2 PHE 4 2HB PHE 4 -3.280 3.805 -6.374
29 HB3 PHE 4 3HB PHE 4 -3.269 5.332 -7.249
30 HD1 PHE 4 HD2 PHE 4 -1.169 2.869 -5.493
31 HD2 PHE 4 HD1 PHE 4 -1.245 6.308 -8.000
32 HE1 PHE 4 HE2 PHE 4 1.228 2.576 -5.962
33 HE2 PHE 4 HE1 PHE 4 1.152 6.020 -8.474
34 HZ PHE 4 HZ PHE 4 2.392 4.153 -7.453
35 H MET 5 H MET 5 -4.909 4.160 -6.262
36 HA MET 5 HA MET 5 -7.248 5.447 -5.848
37 HB2 MET 5 2HB MET 5 -6.471 2.708 -6.351
38 HB3 MET 5 3HB MET 5 -7.911 2.769 -5.343
39 HG2 MET 5 2HG MET 5 -8.397 4.641 -7.321
40 HG3 MET 5 3HG MET 5 -7.595 3.317 -8.164
41 HE1 MET 5 3HE MET 5 -10.338 3.900 -9.208
42 HE2 MET 5 1HE MET 5 -11.743 3.301 -8.326
43 HE3 MET 5 2HE MET 5 -10.849 4.693 -7.717
44 H TRP 6 H TRP 6 -5.496 3.529 -3.478
45 HA TRP 6 HA TRP 6 -7.267 3.104 -1.483
46 HB2 TRP 6 2HB TRP 6 -4.414 3.497 -1.642
47 HB3 TRP 6 3HB TRP 6 -5.039 4.191 -0.149
48 HD1 TRP 6 HD1 TRP 6 -4.205 0.908 -1.767
49 HE1 TRP 6 HE1 TRP 6 -4.714 -1.016 -0.134
50 HE3 TRP 6 HE3 TRP 6 -6.786 3.521 1.789
51 HZ2 TRP 6 HZ2 TRP 6 -6.035 -1.378 2.334
52 HZ3 TRP 6 HZ3 TRP 6 -7.639 2.312 3.755
53 HH2 TRP 6 HH2 TRP 6 -7.271 -0.087 4.019
54 H GLY 7 H GLY 7 -5.224 6.014 -1.278
55 HA2 GLY 7 2HA GLY 7 -7.425 7.367 0.108
56 HA3 GLY 7 3HA GLY 7 -5.741 7.869 0.108
57 H GLY 8 H GLY 8 -6.284 7.135 -3.001
58 HA2 GLY 8 2HA GLY 8 -7.810 8.646 -4.436
59 HA3 GLY 8 3HA GLY 8 -6.919 9.936 -3.641
60 H ALA 9 H ALA 9 -6.811 7.417 -6.028
61 HA ALA 9 HA ALA 9 -4.149 7.267 -6.681
62 HB1 ALA 9 1HB ALA 9 -6.526 7.278 -8.535
63 HB2 ALA 9 2HB ALA 9 -4.896 6.788 -8.999
64 HB3 ALA 9 3HB ALA 9 -5.775 5.876 -7.772
65 H TYR 10 H TYR 10 -2.663 8.592 -7.522
66 HA TYR 10 HA TYR 10 -3.550 11.054 -8.856
67 HB2 TYR 10 2HB TYR 10 -1.256 11.845 -7.552
68 HB3 TYR 10 3HB TYR 10 -2.900 12.215 -7.043
69 HD1 TYR 10 HD1 TYR 10 -1.119 8.954 -6.879
70 HD2 TYR 10 HD2 TYR 10 -2.752 12.229 -4.709
71 HE1 TYR 10 HE1 TYR 10 -0.734 7.743 -4.773
72 HE2 TYR 10 HE2 TYR 10 -2.371 11.027 -2.597
73 HH TYR 10 HH TYR 10 -1.389 9.249 -1.641
74 H CYS 11 H CYS 11 -2.295 8.368 -9.592
75 HA CYS 11 HA CYS 11 -0.103 9.500 -11.194
76 HB2 CYS 11 2HB CYS 11 -0.150 6.938 -9.620
77 HB3 CYS 11 3HB CYS 11 0.903 7.120 -11.018
78 HG CYS 11 HG CYS 11 1.032 9.455 -8.555
79 H PHE 12 H PHE 12 -0.893 6.140 -11.340
80 HA PHE 12 HA PHE 12 -1.276 6.025 -14.060
81 HB2 PHE 12 2HB PHE 12 -2.181 3.832 -13.744
82 HB3 PHE 12 3HB PHE 12 -0.969 4.078 -12.491
83 HD1 PHE 12 HD1 PHE 12 -2.433 5.666 -10.521
84 HD2 PHE 12 HD2 PHE 12 -3.701 2.337 -12.850
85 HE1 PHE 12 HE1 PHE 12 -4.097 5.100 -8.799
86 HE2 PHE 12 HE2 PHE 12 -5.367 1.766 -11.132
87 HZ PHE 12 HZ PHE 12 -5.568 3.148 -9.104
88 H CYS 13 H CYS 13 -3.390 7.287 -11.707
89 HA CYS 13 HA CYS 13 -5.673 7.172 -13.554
90 HB2 CYS 13 2HB CYS 13 -5.462 7.528 -10.578
91 HB3 CYS 13 3HB CYS 13 -6.907 8.044 -11.439
92 HG CYS 13 HG CYS 13 -6.771 5.324 -10.107
93 H ASP 14 H ASP 14 -3.284 9.239 -12.309
94 HA ASP 14 HA ASP 14 -4.741 11.581 -13.346
95 HB2 ASP 14 2HB ASP 14 -3.469 11.168 -10.759
96 HB3 ASP 14 3HB ASP 14 -2.839 12.589 -11.588
97 H ALA 15 H ALA 15 -1.480 10.351 -12.603
98 HA ALA 15 HA ALA 15 0.119 12.072 -13.938
99 HB1 ALA 15 1HB ALA 15 1.564 10.524 -13.270
100 HB2 ALA 15 2HB ALA 15 0.291 9.308 -13.163
101 HB3 ALA 15 3HB ALA 15 1.128 9.576 -14.692
102 H GLU 16 H GLU 16 -1.634 9.366 -15.444
103 HA GLU 16 HA GLU 16 -0.876 10.318 -18.092
104 HB2 GLU 16 2HB GLU 16 -1.028 7.825 -17.234
105 HB3 GLU 16 3HB GLU 16 -2.723 8.009 -17.665
106 HG2 GLU 16 2HG GLU 16 -1.167 9.003 -19.814
107 HG3 GLU 16 3HG GLU 16 -0.515 7.434 -19.344
108 H ASN 17 H ASN 17 -3.539 10.408 -15.907
109 HA ASN 17 HA ASN 17 -5.360 11.309 -18.023
110 HB2 ASN 17 2HB ASN 17 -5.817 9.579 -15.971
111 HB3 ASN 17 3HB ASN 17 -6.385 11.089 -15.265
112 HD21 ASN 17 1HD2 ASN 17 -7.573 8.502 -16.531
113 HD22 ASN 17 2HD2 ASN 17 -8.871 9.121 -17.490
114 H THR 18 H THR 18 -3.294 13.051 -17.377
115 HA THR 18 HA THR 18 -4.712 15.182 -15.913
116 HB THR 18 HB THR 18 -2.696 14.495 -14.713
117 HG1 THR 18 HG1 THR 18 -2.019 16.542 -14.391
118 HG21 THR 18 3HG2 THR 18 -0.741 14.036 -15.700
119 HG22 THR 18 1HG2 THR 18 -0.763 15.542 -16.616
120 HG23 THR 18 2HG2 THR 18 -1.609 14.122 -17.232
Start of MODEL 11
1 H1 VAL 1 H VAL 1 2.042 -0.211 0.807
2 HA VAL 1 HA VAL 1 3.273 0.894 -1.088
3 HB VAL 1 HB VAL 1 3.520 -1.521 -0.801
4 HG11 VAL 1 1HG1 VAL 1 1.265 -1.941 -2.734
5 HG12 VAL 1 2HG1 VAL 1 2.065 -3.119 -1.692
6 HG13 VAL 1 3HG1 VAL 1 0.992 -1.906 -0.993
7 HG21 VAL 1 3HG2 VAL 1 4.163 -2.074 -3.059
8 HG22 VAL 1 1HG2 VAL 1 3.108 -0.816 -3.704
9 HG23 VAL 1 2HG2 VAL 1 4.527 -0.375 -2.753
10 H TYR 2 H TYR 2 -0.111 0.495 -1.316
11 HA TYR 2 HA TYR 2 -0.087 1.678 -4.016
12 HB2 TYR 2 2HB TYR 2 -1.073 -0.718 -3.632
13 HB3 TYR 2 3HB TYR 2 -2.450 0.157 -2.971
14 HD1 TYR 2 HD2 TYR 2 -0.509 -0.548 -6.005
15 HD2 TYR 2 HD1 TYR 2 -3.906 1.450 -4.401
16 HE1 TYR 2 HE2 TYR 2 -1.378 -0.210 -8.281
17 HE2 TYR 2 HE1 TYR 2 -4.785 1.792 -6.673
18 HH TYR 2 HH TYR 2 -3.637 0.161 -9.352
19 HA PRO 3 HA PRO 3 -2.056 4.585 -0.909
20 HB2 PRO 3 2HB PRO 3 -0.482 6.717 -1.497
21 HB3 PRO 3 3HB PRO 3 -0.051 5.511 -0.279
22 HG2 PRO 3 2HG PRO 3 0.878 5.755 -3.114
23 HG3 PRO 3 3HG PRO 3 1.817 5.380 -1.657
24 HD2 PRO 3 2HD PRO 3 1.004 3.471 -3.397
25 HD3 PRO 3 3HD PRO 3 1.170 3.168 -1.655
26 H PHE 4 H PHE 4 -1.877 4.108 -4.158
27 HA PHE 4 HA PHE 4 -2.779 6.571 -5.216
28 HB2 PHE 4 2HB PHE 4 -3.309 3.815 -6.339
29 HB3 PHE 4 3HB PHE 4 -3.291 5.338 -7.223
30 HD1 PHE 4 HD2 PHE 4 -1.198 2.862 -5.477
31 HD2 PHE 4 HD1 PHE 4 -1.265 6.289 -8.000
32 HE1 PHE 4 HE2 PHE 4 1.191 2.541 -5.970
33 HE2 PHE 4 HE1 PHE 4 1.124 5.974 -8.498
34 HZ PHE 4 HZ PHE 4 2.356 4.099 -7.481
35 H MET 5 H MET 5 -4.931 4.185 -6.210
36 HA MET 5 HA MET 5 -7.253 5.499 -5.778
37 HB2 MET 5 2HB MET 5 -6.510 2.750 -6.276
38 HB3 MET 5 3HB MET 5 -7.937 2.831 -5.252
39 HG2 MET 5 2HG MET 5 -7.875 4.564 -7.652
40 HG3 MET 5 3HG MET 5 -8.074 2.830 -7.897
41 HE1 MET 5 3HE MET 5 -11.621 2.373 -7.731
42 HE2 MET 5 1HE MET 5 -10.856 3.384 -8.957
43 HE3 MET 5 2HE MET 5 -10.010 1.970 -8.328
44 H TRP 6 H TRP 6 -5.495 3.576 -3.417
45 HA TRP 6 HA TRP 6 -7.249 3.181 -1.402
46 HB2 TRP 6 2HB TRP 6 -4.393 3.542 -1.593
47 HB3 TRP 6 3HB TRP 6 -4.995 4.249 -0.096
48 HD1 TRP 6 HD1 TRP 6 -4.218 0.949 -1.712
49 HE1 TRP 6 HE1 TRP 6 -4.728 -0.962 -0.065
50 HE3 TRP 6 HE3 TRP 6 -6.722 3.607 1.867
51 HZ2 TRP 6 HZ2 TRP 6 -6.021 -1.299 2.421
52 HZ3 TRP 6 HZ3 TRP 6 -7.564 2.415 3.848
53 HH2 TRP 6 HH2 TRP 6 -7.220 0.012 4.117
54 H GLY 7 H GLY 7 -5.172 6.069 -1.233
55 HA2 GLY 7 2HA GLY 7 -7.342 7.453 0.170
56 HA3 GLY 7 3HA GLY 7 -5.653 7.937 0.149
57 H GLY 8 H GLY 8 -6.246 7.190 -2.950
58 HA2 GLY 8 2HA GLY 8 -7.768 8.710 -4.377
59 HA3 GLY 8 3HA GLY 8 -6.857 9.995 -3.597
60 H ALA 9 H ALA 9 -6.798 7.464 -5.974
61 HA ALA 9 HA ALA 9 -4.145 7.284 -6.654
62 HB1 ALA 9 1HB ALA 9 -6.541 7.311 -8.482
63 HB2 ALA 9 2HB ALA 9 -4.921 6.803 -8.963
64 HB3 ALA 9 3HB ALA 9 -5.795 5.905 -7.722
65 H TYR 10 H TYR 10 -2.655 8.590 -7.515
66 HA TYR 10 HA TYR 10 -3.530 11.056 -8.851
67 HB2 TYR 10 2HB TYR 10 -1.214 11.827 -7.574
68 HB3 TYR 10 3HB TYR 10 -2.848 12.218 -7.051
69 HD1 TYR 10 HD1 TYR 10 -1.100 8.939 -6.889
70 HD2 TYR 10 HD2 TYR 10 -2.680 12.240 -4.718
71 HE1 TYR 10 HE1 TYR 10 -0.708 7.733 -4.781
72 HE2 TYR 10 HE2 TYR 10 -2.291 11.044 -2.605
73 HH TYR 10 HH TYR 10 -1.811 9.021 -1.696
74 H CYS 11 H CYS 11 -2.310 8.353 -9.587
75 HA CYS 11 HA CYS 11 -0.124 9.456 -11.218
76 HB2 CYS 11 2HB CYS 11 -0.180 6.901 -9.633
77 HB3 CYS 11 3HB CYS 11 0.859 7.067 -11.042
78 HG CYS 11 HG CYS 11 1.118 9.553 -8.801
79 H PHE 12 H PHE 12 -0.950 6.104 -11.341
80 HA PHE 12 HA PHE 12 -1.363 5.981 -14.057
81 HB2 PHE 12 2HB PHE 12 -2.288 3.799 -13.722
82 HB3 PHE 12 3HB PHE 12 -1.060 4.038 -12.483
83 HD1 PHE 12 HD1 PHE 12 -2.486 5.650 -10.504
84 HD2 PHE 12 HD2 PHE 12 -3.814 2.325 -12.805
85 HE1 PHE 12 HE1 PHE 12 -4.137 5.109 -8.762
86 HE2 PHE 12 HE2 PHE 12 -5.468 1.779 -11.067
87 HZ PHE 12 HZ PHE 12 -5.632 3.171 -9.043
88 H CYS 13 H CYS 13 -3.438 7.276 -11.687
89 HA CYS 13 HA CYS 13 -5.742 7.177 -13.510
90 HB2 CYS 13 2HB CYS 13 -5.496 7.543 -10.538
91 HB3 CYS 13 3HB CYS 13 -6.944 8.070 -11.386
92 HG CYS 13 HG CYS 13 -7.794 5.622 -12.158
93 H ASP 14 H ASP 14 -3.319 9.223 -12.299
94 HA ASP 14 HA ASP 14 -4.761 11.576 -13.331
95 HB2 ASP 14 2HB ASP 14 -3.470 11.161 -10.755
96 HB3 ASP 14 3HB ASP 14 -2.829 12.570 -11.596
97 H ALA 15 H ALA 15 -1.506 10.316 -12.616
98 HA ALA 15 HA ALA 15 0.097 12.013 -13.974
99 HB1 ALA 15 1HB ALA 15 1.531 10.453 -13.312
100 HB2 ALA 15 2HB ALA 15 0.247 9.249 -13.192
101 HB3 ALA 15 3HB ALA 15 1.074 9.506 -14.728
102 H GLU 16 H GLU 16 -1.698 9.319 -15.451
103 HA GLU 16 HA GLU 16 -0.958 10.252 -18.110
104 HB2 GLU 16 2HB GLU 16 -1.127 7.765 -17.241
105 HB3 GLU 16 3HB GLU 16 -2.824 7.965 -17.655
106 HG2 GLU 16 2HG GLU 16 -2.426 7.797 -19.837
107 HG3 GLU 16 3HG GLU 16 -1.032 8.873 -19.757
108 H ASN 17 H ASN 17 -3.597 10.380 -15.900
109 HA ASN 17 HA ASN 17 -5.431 11.291 -18.001
110 HB2 ASN 17 2HB ASN 17 -5.884 9.576 -15.935
111 HB3 ASN 17 3HB ASN 17 -6.427 11.096 -15.230
112 HD21 ASN 17 1HD2 ASN 17 -6.683 9.303 -18.282
113 HD22 ASN 17 2HD2 ASN 17 -8.363 9.627 -18.527
114 H THR 18 H THR 18 -3.343 13.015 -17.393
115 HA THR 18 HA THR 18 -4.018 14.953 -15.437
116 HB THR 18 HB THR 18 -2.466 15.928 -17.737
117 HG1 THR 18 HG1 THR 18 -1.111 14.311 -17.848
118 HG21 THR 18 3HG2 THR 18 -1.233 16.977 -16.123
119 HG22 THR 18 1HG2 THR 18 -1.373 15.636 -14.987
120 HG23 THR 18 2HG2 THR 18 -2.729 16.740 -15.221
Start of MODEL 12
1 H1 VAL 1 H VAL 1 1.673 -0.014 0.839
2 HA VAL 1 HA VAL 1 2.881 0.747 -1.002
3 HB VAL 1 HB VAL 1 3.158 -1.723 -0.840
4 HG11 VAL 1 1HG1 VAL 1 2.006 -3.156 -2.450
5 HG12 VAL 1 2HG1 VAL 1 0.861 -2.370 -1.361
6 HG13 VAL 1 3HG1 VAL 1 1.063 -1.776 -3.010
7 HG21 VAL 1 3HG2 VAL 1 4.614 -1.572 -2.521
8 HG22 VAL 1 1HG2 VAL 1 3.323 -1.437 -3.716
9 HG23 VAL 1 2HG2 VAL 1 3.906 0.003 -2.881
10 H TYR 2 H TYR 2 -0.435 0.444 -1.347
11 HA TYR 2 HA TYR 2 -0.334 1.607 -4.053
12 HB2 TYR 2 2HB TYR 2 -1.447 -0.732 -3.660
13 HB3 TYR 2 3HB TYR 2 -2.780 0.220 -3.015
14 HD1 TYR 2 HD2 TYR 2 -0.853 -0.599 -6.031
15 HD2 TYR 2 HD1 TYR 2 -4.161 1.569 -4.463
16 HE1 TYR 2 HE2 TYR 2 -1.688 -0.232 -8.315
17 HE2 TYR 2 HE1 TYR 2 -5.006 1.941 -6.743
18 HH TYR 2 HH TYR 2 -3.156 0.940 -9.573
19 HA PRO 3 HA PRO 3 -2.168 4.629 -0.972
20 HB2 PRO 3 2HB PRO 3 -0.476 6.671 -1.554
21 HB3 PRO 3 3HB PRO 3 -0.120 5.449 -0.327
22 HG2 PRO 3 2HG PRO 3 0.844 5.631 -3.156
23 HG3 PRO 3 3HG PRO 3 1.749 5.213 -1.690
24 HD2 PRO 3 2HD PRO 3 0.850 3.343 -3.429
25 HD3 PRO 3 3HD PRO 3 0.984 3.039 -1.685
26 H PHE 4 H PHE 4 -1.995 4.125 -4.215
27 HA PHE 4 HA PHE 4 -2.755 6.632 -5.288
28 HB2 PHE 4 2HB PHE 4 -3.414 3.905 -6.413
29 HB3 PHE 4 3HB PHE 4 -3.306 5.424 -7.298
30 HD1 PHE 4 HD2 PHE 4 -1.366 2.845 -5.523
31 HD2 PHE 4 HD1 PHE 4 -1.225 6.263 -8.056
32 HE1 PHE 4 HE2 PHE 4 1.008 2.398 -5.988
33 HE2 PHE 4 HE1 PHE 4 1.150 5.820 -8.526
34 HZ PHE 4 HZ PHE 4 2.270 3.887 -7.490
35 H MET 5 H MET 5 -5.015 4.354 -6.297
36 HA MET 5 HA MET 5 -7.272 5.783 -5.894
37 HB2 MET 5 2HB MET 5 -6.662 2.998 -6.374
38 HB3 MET 5 3HB MET 5 -8.093 3.155 -5.364
39 HG2 MET 5 2HG MET 5 -9.302 4.215 -6.999
40 HG3 MET 5 3HG MET 5 -7.865 4.818 -7.821
41 HE1 MET 5 3HE MET 5 -10.040 0.998 -7.846
42 HE2 MET 5 1HE MET 5 -8.426 0.477 -7.361
43 HE3 MET 5 2HE MET 5 -9.267 1.719 -6.434
44 H TRP 6 H TRP 6 -5.637 3.783 -3.508
45 HA TRP 6 HA TRP 6 -7.425 3.484 -1.508
46 HB2 TRP 6 2HB TRP 6 -4.555 3.704 -1.673
47 HB3 TRP 6 3HB TRP 6 -5.135 4.451 -0.186
48 HD1 TRP 6 HD1 TRP 6 -4.504 1.105 -1.770
49 HE1 TRP 6 HE1 TRP 6 -5.124 -0.766 -0.116
50 HE3 TRP 6 HE3 TRP 6 -6.913 3.908 1.762
51 HZ2 TRP 6 HZ2 TRP 6 -6.458 -1.021 2.359
52 HZ3 TRP 6 HZ3 TRP 6 -7.833 2.774 3.742
53 HH2 TRP 6 HH2 TRP 6 -7.609 0.360 4.032
54 H GLY 7 H GLY 7 -5.216 6.272 -1.336
55 HA2 GLY 7 2HA GLY 7 -7.333 7.765 0.038
56 HA3 GLY 7 3HA GLY 7 -5.622 8.165 0.038
57 H GLY 8 H GLY 8 -6.210 7.435 -3.066
58 HA2 GLY 8 2HA GLY 8 -7.637 9.024 -4.517
59 HA3 GLY 8 3HA GLY 8 -6.672 10.265 -3.731
60 H ALA 9 H ALA 9 -6.712 7.725 -6.098
61 HA ALA 9 HA ALA 9 -4.062 7.410 -6.744
62 HB1 ALA 9 1HB ALA 9 -5.762 6.107 -7.827
63 HB2 ALA 9 2HB ALA 9 -6.433 7.544 -8.600
64 HB3 ALA 9 3HB ALA 9 -4.834 6.959 -9.062
65 H TYR 10 H TYR 10 -2.498 8.637 -7.591
66 HA TYR 10 HA TYR 10 -3.234 11.136 -8.949
67 HB2 TYR 10 2HB TYR 10 -0.902 11.803 -7.648
68 HB3 TYR 10 3HB TYR 10 -2.522 12.267 -7.140
69 HD1 TYR 10 HD1 TYR 10 -0.932 8.910 -6.957
70 HD2 TYR 10 HD2 TYR 10 -2.362 12.290 -4.805
71 HE1 TYR 10 HE1 TYR 10 -0.613 7.692 -4.844
72 HE2 TYR 10 HE2 TYR 10 -2.045 11.083 -2.686
73 HH TYR 10 HH TYR 10 -1.536 9.132 -1.737
74 H CYS 11 H CYS 11 -2.143 8.373 -9.661
75 HA CYS 11 HA CYS 11 0.118 9.359 -11.265
76 HB2 CYS 11 2HB CYS 11 -0.089 6.815 -9.675
77 HB3 CYS 11 3HB CYS 11 0.978 6.924 -11.070
78 HG CYS 11 HG CYS 11 1.332 9.404 -8.835
79 H PHE 12 H PHE 12 -0.869 6.051 -11.393
80 HA PHE 12 HA PHE 12 -1.254 5.941 -14.113
81 HB2 PHE 12 2HB PHE 12 -2.294 3.810 -13.784
82 HB3 PHE 12 3HB PHE 12 -1.069 3.989 -12.531
83 HD1 PHE 12 HD1 PHE 12 -2.439 5.681 -10.576
84 HD2 PHE 12 HD2 PHE 12 -3.899 2.414 -12.879
85 HE1 PHE 12 HE1 PHE 12 -4.135 5.229 -8.852
86 HE2 PHE 12 HE2 PHE 12 -5.599 1.957 -11.160
87 HZ PHE 12 HZ PHE 12 -5.719 3.366 -9.143
88 H CYS 13 H CYS 13 -3.298 7.336 -11.769
89 HA CYS 13 HA CYS 13 -5.579 7.349 -13.622
90 HB2 CYS 13 2HB CYS 13 -5.351 7.716 -10.649
91 HB3 CYS 13 3HB CYS 13 -6.760 8.311 -11.517
92 HG CYS 13 HG CYS 13 -6.906 5.651 -10.163
93 H ASP 14 H ASP 14 -3.073 9.279 -12.384
94 HA ASP 14 HA ASP 14 -4.384 11.696 -13.445
95 HB2 ASP 14 2HB ASP 14 -3.141 11.228 -10.853
96 HB3 ASP 14 3HB ASP 14 -2.426 12.601 -11.692
97 H ALA 15 H ALA 15 -1.198 10.294 -12.677
98 HA ALA 15 HA ALA 15 0.512 11.888 -14.009
99 HB1 ALA 15 1HB ALA 15 1.856 10.238 -13.383
100 HB2 ALA 15 2HB ALA 15 0.494 9.125 -13.241
101 HB3 ALA 15 3HB ALA 15 1.318 9.317 -14.788
102 H GLU 16 H GLU 16 -1.550 9.430 -15.520
103 HA GLU 16 HA GLU 16 -0.784 10.481 -18.158
104 HB2 GLU 16 2HB GLU 16 -0.664 7.940 -17.446
105 HB3 GLU 16 3HB GLU 16 -2.378 7.976 -17.833
106 HG2 GLU 16 2HG GLU 16 -0.468 9.088 -19.814
107 HG3 GLU 16 3HG GLU 16 -0.563 7.337 -19.627
108 H ASN 17 H ASN 17 -3.378 10.186 -15.914
109 HA ASN 17 HA ASN 17 -5.236 11.293 -17.916
110 HB2 ASN 17 2HB ASN 17 -5.649 9.310 -15.717
111 HB3 ASN 17 3HB ASN 17 -6.980 10.378 -16.153
112 HD21 ASN 17 1HD2 ASN 17 -7.723 8.020 -16.552
113 HD22 ASN 17 2HD2 ASN 17 -7.566 7.474 -18.183
114 H THR 18 H THR 18 -3.841 13.219 -16.991
115 HA THR 18 HA THR 18 -4.591 14.240 -14.435
116 HB THR 18 HB THR 18 -3.650 16.189 -16.436
117 HG1 THR 18 HG1 THR 18 -2.397 14.593 -17.241
118 HG21 THR 18 3HG2 THR 18 -3.491 16.978 -14.274
119 HG22 THR 18 1HG2 THR 18 -1.864 16.345 -14.521
120 HG23 THR 18 2HG2 THR 18 -3.050 15.402 -13.618
Start of MODEL 13
1 H1 VAL 1 H VAL 1 1.679 -0.563 0.673
2 HA VAL 1 HA VAL 1 3.206 0.842 -1.036
3 HB VAL 1 HB VAL 1 3.437 -1.579 -0.741
4 HG11 VAL 1 1HG1 VAL 1 1.015 -1.758 -2.531
5 HG12 VAL 1 2HG1 VAL 1 2.022 -3.121 -2.038
6 HG13 VAL 1 3HG1 VAL 1 1.101 -2.222 -0.832
7 HG21 VAL 1 3HG2 VAL 1 4.135 -2.124 -2.984
8 HG22 VAL 1 1HG2 VAL 1 3.098 -0.863 -3.651
9 HG23 VAL 1 2HG2 VAL 1 4.494 -0.427 -2.664
10 H TYR 2 H TYR 2 -0.173 0.460 -1.304
11 HA TYR 2 HA TYR 2 -0.112 1.633 -4.007
12 HB2 TYR 2 2HB TYR 2 -1.119 -0.755 -3.625
13 HB3 TYR 2 3HB TYR 2 -2.497 0.134 -2.984
14 HD1 TYR 2 HD2 TYR 2 -0.525 -0.596 -5.992
15 HD2 TYR 2 HD1 TYR 2 -3.928 1.428 -4.436
16 HE1 TYR 2 HE2 TYR 2 -1.365 -0.262 -8.280
17 HE2 TYR 2 HE1 TYR 2 -4.779 1.766 -6.719
18 HH TYR 2 HH TYR 2 -2.905 0.743 -9.547
19 HA PRO 3 HA PRO 3 -2.095 4.566 -0.933
20 HB2 PRO 3 2HB PRO 3 -0.500 6.685 -1.514
21 HB3 PRO 3 3HB PRO 3 -0.089 5.482 -0.286
22 HG2 PRO 3 2HG PRO 3 0.870 5.707 -3.113
23 HG3 PRO 3 3HG PRO 3 1.792 5.333 -1.645
24 HD2 PRO 3 2HD PRO 3 0.984 3.422 -3.385
25 HD3 PRO 3 3HD PRO 3 1.130 3.125 -1.641
26 H PHE 4 H PHE 4 -1.888 4.072 -4.177
27 HA PHE 4 HA PHE 4 -2.763 6.538 -5.255
28 HB2 PHE 4 2HB PHE 4 -3.295 3.781 -6.374
29 HB3 PHE 4 3HB PHE 4 -3.260 5.301 -7.262
30 HD1 PHE 4 HD2 PHE 4 -1.198 2.820 -5.485
31 HD2 PHE 4 HD1 PHE 4 -1.222 6.238 -8.022
32 HE1 PHE 4 HE2 PHE 4 1.194 2.486 -5.952
33 HE2 PHE 4 HE1 PHE 4 1.171 5.908 -8.494
34 HZ PHE 4 HZ PHE 4 2.382 4.031 -7.457
35 H MET 5 H MET 5 -4.918 4.162 -6.263
36 HA MET 5 HA MET 5 -7.236 5.490 -5.861
37 HB2 MET 5 2HB MET 5 -6.503 2.735 -6.342
38 HB3 MET 5 3HB MET 5 -7.941 2.827 -5.334
39 HG2 MET 5 2HG MET 5 -8.555 4.645 -7.229
40 HG3 MET 5 3HG MET 5 -7.561 3.526 -8.159
41 HE1 MET 5 3HE MET 5 -11.340 2.564 -5.820
42 HE2 MET 5 1HE MET 5 -10.253 3.943 -5.647
43 HE3 MET 5 2HE MET 5 -11.442 3.916 -6.949
44 H TRP 6 H TRP 6 -5.515 3.564 -3.475
45 HA TRP 6 HA TRP 6 -7.291 3.185 -1.477
46 HB2 TRP 6 2HB TRP 6 -4.433 3.532 -1.639
47 HB3 TRP 6 3HB TRP 6 -5.047 4.247 -0.151
48 HD1 TRP 6 HD1 TRP 6 -4.269 0.938 -1.746
49 HE1 TRP 6 HE1 TRP 6 -4.805 -0.965 -0.097
50 HE3 TRP 6 HE3 TRP 6 -6.798 3.621 1.795
51 HZ2 TRP 6 HZ2 TRP 6 -6.127 -1.286 2.377
52 HZ3 TRP 6 HZ3 TRP 6 -7.667 2.441 3.772
53 HH2 TRP 6 HH2 TRP 6 -7.337 0.038 4.054
54 H GLY 7 H GLY 7 -5.204 6.064 -1.297
55 HA2 GLY 7 2HA GLY 7 -7.383 7.463 0.078
56 HA3 GLY 7 3HA GLY 7 -5.691 7.938 0.074
57 H GLY 8 H GLY 8 -6.247 7.186 -3.029
58 HA2 GLY 8 2HA GLY 8 -7.748 8.709 -4.477
59 HA3 GLY 8 3HA GLY 8 -6.838 9.992 -3.693
60 H ALA 9 H ALA 9 -6.769 7.451 -6.058
61 HA ALA 9 HA ALA 9 -4.109 7.254 -6.710
62 HB1 ALA 9 1HB ALA 9 -6.487 7.284 -8.562
63 HB2 ALA 9 2HB ALA 9 -4.865 6.769 -9.026
64 HB3 ALA 9 3HB ALA 9 -5.754 5.878 -7.790
65 H TYR 10 H TYR 10 -2.603 8.548 -7.562
66 HA TYR 10 HA TYR 10 -3.452 11.013 -8.917
67 HB2 TYR 10 2HB TYR 10 -1.145 11.777 -7.620
68 HB3 TYR 10 3HB TYR 10 -2.783 12.178 -7.114
69 HD1 TYR 10 HD1 TYR 10 -1.052 8.890 -6.924
70 HD2 TYR 10 HD2 TYR 10 -2.633 12.208 -4.779
71 HE1 TYR 10 HE1 TYR 10 -0.685 7.690 -4.808
72 HE2 TYR 10 HE2 TYR 10 -2.269 11.018 -2.658
73 HH TYR 10 HH TYR 10 -1.989 8.779 -1.828
74 H CYS 11 H CYS 11 -2.239 8.300 -9.630
75 HA CYS 11 HA CYS 11 -0.031 9.385 -11.242
76 HB2 CYS 11 2HB CYS 11 -0.117 6.837 -9.647
77 HB3 CYS 11 3HB CYS 11 0.938 6.990 -11.047
78 HG CYS 11 HG CYS 11 1.060 9.161 -8.410
79 H PHE 12 H PHE 12 -0.875 6.036 -11.359
80 HA PHE 12 HA PHE 12 -1.261 5.904 -14.079
81 HB2 PHE 12 2HB PHE 12 -2.201 3.729 -13.744
82 HB3 PHE 12 3HB PHE 12 -0.985 3.966 -12.494
83 HD1 PHE 12 HD1 PHE 12 -2.421 5.594 -10.536
84 HD2 PHE 12 HD2 PHE 12 -3.746 2.267 -12.837
85 HE1 PHE 12 HE1 PHE 12 -4.093 5.069 -8.809
86 HE2 PHE 12 HE2 PHE 12 -5.420 1.738 -11.115
87 HZ PHE 12 HZ PHE 12 -5.596 3.139 -9.097
88 H CYS 13 H CYS 13 -3.352 7.222 -11.736
89 HA CYS 13 HA CYS 13 -5.638 7.128 -13.582
90 HB2 CYS 13 2HB CYS 13 -5.421 7.504 -10.609
91 HB3 CYS 13 3HB CYS 13 -6.857 8.035 -11.474
92 HG CYS 13 HG CYS 13 -7.994 5.734 -11.664
93 H ASP 14 H ASP 14 -3.215 9.165 -12.356
94 HA ASP 14 HA ASP 14 -4.634 11.523 -13.410
95 HB2 ASP 14 2HB ASP 14 -3.376 11.109 -10.818
96 HB3 ASP 14 3HB ASP 14 -2.710 12.507 -11.657
97 H ALA 15 H ALA 15 -1.394 10.243 -12.660
98 HA ALA 15 HA ALA 15 0.230 11.930 -14.011
99 HB1 ALA 15 1HB ALA 15 1.650 10.369 -13.320
100 HB2 ALA 15 2HB ALA 15 0.361 9.169 -13.209
101 HB3 ALA 15 3HB ALA 15 1.208 9.416 -14.737
102 H GLU 16 H GLU 16 -1.531 9.212 -15.491
103 HA GLU 16 HA GLU 16 -0.760 10.112 -18.147
104 HB2 GLU 16 2HB GLU 16 -0.996 7.640 -17.248
105 HB3 GLU 16 3HB GLU 16 -2.682 7.871 -17.690
106 HG2 GLU 16 2HG GLU 16 -2.093 7.198 -19.719
107 HG3 GLU 16 3HG GLU 16 -1.336 8.778 -19.906
108 H ASN 17 H ASN 17 -3.428 10.321 -15.977
109 HA ASN 17 HA ASN 17 -5.056 11.543 -18.108
110 HB2 ASN 17 2HB ASN 17 -5.836 9.331 -16.916
111 HB3 ASN 17 3HB ASN 17 -6.307 10.432 -15.624
112 HD21 ASN 17 1HD2 ASN 17 -6.651 9.895 -19.100
113 HD22 ASN 17 2HD2 ASN 17 -8.254 10.529 -19.217
114 H THR 18 H THR 18 -3.763 13.475 -17.468
115 HA THR 18 HA THR 18 -3.925 14.682 -14.953
116 HB THR 18 HB THR 18 -3.922 16.476 -17.317
117 HG1 THR 18 HG1 THR 18 -2.422 15.382 -18.316
118 HG21 THR 18 3HG2 THR 18 -2.008 16.190 -15.001
119 HG22 THR 18 1HG2 THR 18 -3.438 17.220 -14.987
120 HG23 THR 18 2HG2 THR 18 -2.127 17.547 -16.121
Start of MODEL 14
1 H1 VAL 1 H VAL 1 0.840 0.827 0.287
2 HA VAL 1 HA VAL 1 3.054 0.837 -0.993
3 HB VAL 1 HB VAL 1 3.336 -1.602 -0.765
4 HG11 VAL 1 1HG1 VAL 1 1.048 -1.761 -2.725
5 HG12 VAL 1 2HG1 VAL 1 2.047 -3.117 -2.200
6 HG13 VAL 1 3HG1 VAL 1 1.014 -2.279 -1.040
7 HG21 VAL 1 3HG2 VAL 1 4.573 -1.697 -2.642
8 HG22 VAL 1 1HG2 VAL 1 3.196 -1.344 -3.686
9 HG23 VAL 1 2HG2 VAL 1 4.040 -0.031 -2.865
10 H TYR 2 H TYR 2 -0.294 0.462 -1.284
11 HA TYR 2 HA TYR 2 -0.236 1.631 -3.990
12 HB2 TYR 2 2HB TYR 2 -1.272 -0.743 -3.599
13 HB3 TYR 2 3HB TYR 2 -2.633 0.163 -2.946
14 HD1 TYR 2 HD2 TYR 2 -0.699 -0.598 -5.971
15 HD2 TYR 2 HD1 TYR 2 -4.056 1.481 -4.387
16 HE1 TYR 2 HE2 TYR 2 -1.554 -0.254 -8.251
17 HE2 TYR 2 HE1 TYR 2 -4.921 1.830 -6.663
18 HH TYR 2 HH TYR 2 -4.278 0.233 -9.139
19 HA PRO 3 HA PRO 3 -2.162 4.588 -0.901
20 HB2 PRO 3 2HB PRO 3 -0.534 6.683 -1.478
21 HB3 PRO 3 3HB PRO 3 -0.141 5.470 -0.253
22 HG2 PRO 3 2HG PRO 3 0.819 5.687 -3.080
23 HG3 PRO 3 3HG PRO 3 1.736 5.294 -1.615
24 HD2 PRO 3 2HD PRO 3 0.896 3.401 -3.359
25 HD3 PRO 3 3HD PRO 3 1.038 3.097 -1.616
26 H PHE 4 H PHE 4 -1.967 4.100 -4.146
27 HA PHE 4 HA PHE 4 -2.802 6.582 -5.217
28 HB2 PHE 4 2HB PHE 4 -3.390 3.840 -6.343
29 HB3 PHE 4 3HB PHE 4 -3.317 5.361 -7.227
30 HD1 PHE 4 HD2 PHE 4 -1.319 2.827 -5.453
31 HD2 PHE 4 HD1 PHE 4 -1.255 6.251 -7.980
32 HE1 PHE 4 HE2 PHE 4 1.066 2.437 -5.916
33 HE2 PHE 4 HE1 PHE 4 1.130 5.866 -8.448
34 HZ PHE 4 HZ PHE 4 2.294 3.957 -7.414
35 H MET 5 H MET 5 -4.999 4.242 -6.224
36 HA MET 5 HA MET 5 -7.294 5.609 -5.818
37 HB2 MET 5 2HB MET 5 -6.608 2.842 -6.298
38 HB3 MET 5 3HB MET 5 -8.043 2.959 -5.288
39 HG2 MET 5 2HG MET 5 -8.785 4.707 -7.095
40 HG3 MET 5 3HG MET 5 -7.619 3.842 -8.094
41 HE1 MET 5 3HE MET 5 -7.614 1.072 -7.204
42 HE2 MET 5 1HE MET 5 -9.005 0.169 -7.804
43 HE3 MET 5 2HE MET 5 -8.057 1.163 -8.909
44 H TRP 6 H TRP 6 -5.601 3.656 -3.434
45 HA TRP 6 HA TRP 6 -7.378 3.306 -1.432
46 HB2 TRP 6 2HB TRP 6 -4.517 3.604 -1.601
47 HB3 TRP 6 3HB TRP 6 -5.112 4.342 -0.116
48 HD1 TRP 6 HD1 TRP 6 -4.387 1.009 -1.680
49 HE1 TRP 6 HE1 TRP 6 -4.957 -0.872 -0.019
50 HE3 TRP 6 HE3 TRP 6 -6.887 3.758 1.831
51 HZ2 TRP 6 HZ2 TRP 6 -6.290 -1.153 2.453
52 HZ3 TRP 6 HZ3 TRP 6 -7.779 2.607 3.814
53 HH2 TRP 6 HH2 TRP 6 -7.486 0.202 4.117
54 H GLY 7 H GLY 7 -5.252 6.159 -1.270
55 HA2 GLY 7 2HA GLY 7 -7.412 7.591 0.104
56 HA3 GLY 7 3HA GLY 7 -5.712 8.037 0.110
57 H GLY 8 H GLY 8 -6.274 7.292 -2.997
58 HA2 GLY 8 2HA GLY 8 -7.739 8.845 -4.450
59 HA3 GLY 8 3HA GLY 8 -6.805 10.109 -3.663
60 H ALA 9 H ALA 9 -6.785 7.576 -6.035
61 HA ALA 9 HA ALA 9 -4.126 7.323 -6.676
62 HB1 ALA 9 1HB ALA 9 -4.883 6.852 -8.993
63 HB2 ALA 9 2HB ALA 9 -5.797 5.980 -7.761
64 HB3 ALA 9 3HB ALA 9 -6.496 7.401 -8.537
65 H TYR 10 H TYR 10 -2.592 8.588 -7.522
66 HA TYR 10 HA TYR 10 -3.387 11.069 -8.879
67 HB2 TYR 10 2HB TYR 10 -1.071 11.788 -7.575
68 HB3 TYR 10 3HB TYR 10 -2.702 12.220 -7.074
69 HD1 TYR 10 HD1 TYR 10 -1.038 8.899 -6.879
70 HD2 TYR 10 HD2 TYR 10 -2.558 12.248 -4.739
71 HE1 TYR 10 HE1 TYR 10 -0.700 7.692 -4.762
72 HE2 TYR 10 HE2 TYR 10 -2.224 11.051 -2.616
73 HH TYR 10 HH TYR 10 -1.826 9.002 -1.701
74 H CYS 11 H CYS 11 -2.227 8.333 -9.590
75 HA CYS 11 HA CYS 11 0.009 9.374 -11.194
76 HB2 CYS 11 2HB CYS 11 -0.134 6.827 -9.601
77 HB3 CYS 11 3HB CYS 11 0.930 6.962 -10.996
78 HG CYS 11 HG CYS 11 2.311 9.201 -9.902
79 H PHE 12 H PHE 12 -0.900 6.043 -11.315
80 HA PHE 12 HA PHE 12 -1.280 5.920 -14.036
81 HB2 PHE 12 2HB PHE 12 -2.263 3.763 -13.706
82 HB3 PHE 12 3HB PHE 12 -1.046 3.976 -12.452
83 HD1 PHE 12 HD1 PHE 12 -2.458 5.631 -10.498
84 HD2 PHE 12 HD2 PHE 12 -3.836 2.330 -12.804
85 HE1 PHE 12 HE1 PHE 12 -4.145 5.137 -8.776
86 HE2 PHE 12 HE2 PHE 12 -5.526 1.831 -11.087
87 HZ PHE 12 HZ PHE 12 -5.683 3.236 -9.070
88 H CYS 13 H CYS 13 -3.353 7.277 -11.700
89 HA CYS 13 HA CYS 13 -5.635 7.227 -13.551
90 HB2 CYS 13 2HB CYS 13 -5.418 7.600 -10.578
91 HB3 CYS 13 3HB CYS 13 -6.842 8.159 -11.448
92 HG CYS 13 HG CYS 13 -7.990 5.902 -10.982
93 H ASP 14 H ASP 14 -3.177 9.218 -12.317
94 HA ASP 14 HA ASP 14 -4.547 11.601 -13.378
95 HB2 ASP 14 2HB ASP 14 -3.295 11.166 -10.784
96 HB3 ASP 14 3HB ASP 14 -2.617 12.559 -11.623
97 H ALA 15 H ALA 15 -1.335 10.261 -12.616
98 HA ALA 15 HA ALA 15 0.326 11.916 -13.964
99 HB1 ALA 15 1HB ALA 15 1.262 9.384 -14.681
100 HB2 ALA 15 2HB ALA 15 1.713 10.329 -13.262
101 HB3 ALA 15 3HB ALA 15 0.403 9.154 -13.158
102 H GLU 16 H GLU 16 -1.476 9.225 -15.445
103 HA GLU 16 HA GLU 16 -0.678 10.103 -18.100
104 HB2 GLU 16 2HB GLU 16 -0.969 7.639 -17.195
105 HB3 GLU 16 3HB GLU 16 -2.648 7.904 -17.644
106 HG2 GLU 16 2HG GLU 16 -0.495 8.504 -19.613
107 HG3 GLU 16 3HG GLU 16 -0.977 6.833 -19.330
108 H ASN 17 H ASN 17 -3.348 10.379 -15.941
109 HA ASN 17 HA ASN 17 -4.950 11.611 -18.086
110 HB2 ASN 17 2HB ASN 17 -5.768 9.439 -16.828
111 HB3 ASN 17 3HB ASN 17 -6.230 10.594 -15.581
112 HD21 ASN 17 1HD2 ASN 17 -8.340 9.542 -16.254
113 HD22 ASN 17 2HD2 ASN 17 -9.238 10.353 -17.487
114 H THR 18 H THR 18 -3.408 13.423 -17.319
115 HA THR 18 HA THR 18 -4.121 14.701 -14.834
116 HB THR 18 HB THR 18 -1.819 14.840 -15.742
117 HG1 THR 18 HG1 THR 18 -2.444 16.465 -14.321
118 HG21 THR 18 3HG2 THR 18 -2.414 15.019 -18.125
119 HG22 THR 18 1HG2 THR 18 -1.336 16.318 -17.617
120 HG23 THR 18 2HG2 THR 18 -3.058 16.635 -17.833
Start of MODEL 15
1 H1 VAL 1 H VAL 1 1.388 0.884 0.583
2 HA VAL 1 HA VAL 1 3.095 0.832 -1.022
3 HB VAL 1 HB VAL 1 3.342 -1.616 -0.786
4 HG11 VAL 1 1HG1 VAL 1 1.581 -2.235 -3.044
5 HG12 VAL 1 2HG1 VAL 1 1.855 -3.117 -1.540
6 HG13 VAL 1 3HG1 VAL 1 0.737 -1.753 -1.573
7 HG21 VAL 1 3HG2 VAL 1 3.222 -0.771 -3.677
8 HG22 VAL 1 1HG2 VAL 1 4.510 -0.318 -2.561
9 HG23 VAL 1 2HG2 VAL 1 4.254 -2.015 -2.970
10 H TYR 2 H TYR 2 -0.255 0.473 -1.339
11 HA TYR 2 HA TYR 2 -0.169 1.651 -4.040
12 HB2 TYR 2 2HB TYR 2 -1.216 -0.720 -3.666
13 HB3 TYR 2 3HB TYR 2 -2.580 0.188 -3.024
14 HD1 TYR 2 HD2 TYR 2 -0.617 -0.565 -6.032
15 HD2 TYR 2 HD1 TYR 2 -3.988 1.510 -4.473
16 HE1 TYR 2 HE2 TYR 2 -1.449 -0.210 -8.320
17 HE2 TYR 2 HE1 TYR 2 -4.830 1.870 -6.756
18 HH TYR 2 HH TYR 2 -3.658 0.215 -9.429
19 HA PRO 3 HA PRO 3 -2.110 4.608 -0.962
20 HB2 PRO 3 2HB PRO 3 -0.479 6.702 -1.533
21 HB3 PRO 3 3HB PRO 3 -0.091 5.489 -0.307
22 HG2 PRO 3 2HG PRO 3 0.879 5.706 -3.131
23 HG3 PRO 3 3HG PRO 3 1.791 5.312 -1.662
24 HD2 PRO 3 2HD PRO 3 0.956 3.420 -3.409
25 HD3 PRO 3 3HD PRO 3 1.092 3.116 -1.665
26 H PHE 4 H PHE 4 -1.904 4.120 -4.207
27 HA PHE 4 HA PHE 4 -2.735 6.603 -5.279
28 HB2 PHE 4 2HB PHE 4 -3.308 3.859 -6.408
29 HB3 PHE 4 3HB PHE 4 -3.247 5.380 -7.291
30 HD1 PHE 4 HD2 PHE 4 -1.229 2.862 -5.516
31 HD2 PHE 4 HD1 PHE 4 -1.191 6.286 -8.044
32 HE1 PHE 4 HE2 PHE 4 1.158 2.491 -5.977
33 HE2 PHE 4 HE1 PHE 4 1.197 5.920 -8.510
34 HZ PHE 4 HZ PHE 4 2.375 4.021 -7.475
35 H MET 5 H MET 5 -4.925 4.263 -6.299
36 HA MET 5 HA MET 5 -7.223 5.627 -5.901
37 HB2 MET 5 2HB MET 5 -6.532 2.862 -6.386
38 HB3 MET 5 3HB MET 5 -7.971 2.975 -5.381
39 HG2 MET 5 2HG MET 5 -7.836 4.700 -7.785
40 HG3 MET 5 3HG MET 5 -8.077 2.971 -8.025
41 HE1 MET 5 3HE MET 5 -11.607 3.303 -8.510
42 HE2 MET 5 1HE MET 5 -10.830 4.810 -8.996
43 HE3 MET 5 2HE MET 5 -9.992 3.274 -9.219
44 H TRP 6 H TRP 6 -5.539 3.670 -3.514
45 HA TRP 6 HA TRP 6 -7.327 3.315 -1.522
46 HB2 TRP 6 2HB TRP 6 -4.462 3.617 -1.675
47 HB3 TRP 6 3HB TRP 6 -5.070 4.336 -0.186
48 HD1 TRP 6 HD1 TRP 6 -4.346 1.019 -1.796
49 HE1 TRP 6 HE1 TRP 6 -4.915 -0.880 -0.155
50 HE3 TRP 6 HE3 TRP 6 -6.826 3.732 1.758
51 HZ2 TRP 6 HZ2 TRP 6 -6.240 -1.188 2.319
52 HZ3 TRP 6 HZ3 TRP 6 -7.713 2.559 3.731
53 HH2 TRP 6 HH2 TRP 6 -7.426 0.150 4.003
54 H GLY 7 H GLY 7 -5.192 6.158 -1.326
55 HA2 GLY 7 2HA GLY 7 -7.351 7.589 0.045
56 HA3 GLY 7 3HA GLY 7 -5.652 8.037 0.046
57 H GLY 8 H GLY 8 -6.214 7.301 -3.060
58 HA2 GLY 8 2HA GLY 8 -7.684 8.851 -4.508
59 HA3 GLY 8 3HA GLY 8 -6.757 10.117 -3.718
60 H ALA 9 H ALA 9 -6.721 7.585 -6.093
61 HA ALA 9 HA ALA 9 -4.063 7.347 -6.736
62 HB1 ALA 9 1HB ALA 9 -6.435 7.420 -8.594
63 HB2 ALA 9 2HB ALA 9 -4.820 6.883 -9.056
64 HB3 ALA 9 3HB ALA 9 -5.724 6.000 -7.826
65 H TYR 10 H TYR 10 -2.533 8.620 -7.578
66 HA TYR 10 HA TYR 10 -3.338 11.101 -8.928
67 HB2 TYR 10 2HB TYR 10 -1.024 11.826 -7.621
68 HB3 TYR 10 3HB TYR 10 -2.657 12.250 -7.119
69 HD1 TYR 10 HD1 TYR 10 -0.980 8.935 -6.934
70 HD2 TYR 10 HD2 TYR 10 -2.513 12.271 -4.784
71 HE1 TYR 10 HE1 TYR 10 -0.638 7.723 -4.821
72 HE2 TYR 10 HE2 TYR 10 -2.174 11.068 -2.665
73 HH TYR 10 HH TYR 10 -1.849 8.936 -1.790
74 H CYS 11 H CYS 11 -2.169 8.373 -9.648
75 HA CYS 11 HA CYS 11 0.064 9.427 -11.248
76 HB2 CYS 11 2HB CYS 11 -0.070 6.875 -9.663
77 HB3 CYS 11 3HB CYS 11 0.992 7.016 -11.058
78 HG CYS 11 HG CYS 11 1.276 9.500 -8.817
79 H PHE 12 H PHE 12 -0.838 6.093 -11.379
80 HA PHE 12 HA PHE 12 -1.215 5.978 -14.101
81 HB2 PHE 12 2HB PHE 12 -2.192 3.817 -13.778
82 HB3 PHE 12 3HB PHE 12 -0.975 4.029 -12.523
83 HD1 PHE 12 HD1 PHE 12 -2.392 5.674 -10.564
84 HD2 PHE 12 HD2 PHE 12 -3.761 2.376 -12.881
85 HE1 PHE 12 HE1 PHE 12 -4.077 5.169 -8.843
86 HE2 PHE 12 HE2 PHE 12 -5.449 1.867 -11.165
87 HZ PHE 12 HZ PHE 12 -5.609 3.264 -9.143
88 H CYS 13 H CYS 13 -3.292 7.322 -11.761
89 HA CYS 13 HA CYS 13 -5.572 7.273 -13.615
90 HB2 CYS 13 2HB CYS 13 -5.362 7.628 -10.639
91 HB3 CYS 13 3HB CYS 13 -6.786 8.186 -11.508
92 HG CYS 13 HG CYS 13 -7.923 5.920 -11.048
93 H ASP 14 H ASP 14 -3.116 9.260 -12.385
94 HA ASP 14 HA ASP 14 -4.494 11.647 -13.427
95 HB2 ASP 14 2HB ASP 14 -3.251 11.201 -10.831
96 HB3 ASP 14 3HB ASP 14 -2.572 12.599 -11.660
97 H ALA 15 H ALA 15 -1.278 10.317 -12.659
98 HA ALA 15 HA ALA 15 0.385 11.979 -13.986
99 HB1 ALA 15 1HB ALA 15 1.315 9.453 -14.736
100 HB2 ALA 15 2HB ALA 15 1.770 10.381 -13.307
101 HB3 ALA 15 3HB ALA 15 0.457 9.209 -13.215
102 H GLU 16 H GLU 16 -1.396 9.298 -15.512
103 HA GLU 16 HA GLU 16 -0.696 10.373 -18.145
104 HB2 GLU 16 2HB GLU 16 -0.539 7.852 -17.378
105 HB3 GLU 16 3HB GLU 16 -2.248 7.846 -17.787
106 HG2 GLU 16 2HG GLU 16 -1.740 8.543 -20.049
107 HG3 GLU 16 3HG GLU 16 -0.026 8.644 -19.653
108 H ASN 17 H ASN 17 -3.335 10.036 -15.947
109 HA ASN 17 HA ASN 17 -5.155 11.141 -17.986
110 HB2 ASN 17 2HB ASN 17 -5.857 8.890 -17.376
111 HB3 ASN 17 3HB ASN 17 -5.822 9.315 -15.667
112 HD21 ASN 17 1HD2 ASN 17 -8.047 8.504 -15.794
113 HD22 ASN 17 2HD2 ASN 17 -9.297 9.606 -16.251
114 H THR 18 H THR 18 -4.027 13.145 -17.089
115 HA THR 18 HA THR 18 -4.880 14.024 -14.477
116 HB THR 18 HB THR 18 -3.936 16.264 -15.841
117 HG1 THR 18 HG1 THR 18 -2.531 15.595 -17.279
118 HG21 THR 18 3HG2 THR 18 -2.974 16.191 -13.814
119 HG22 THR 18 1HG2 THR 18 -1.716 15.235 -14.595
120 HG23 THR 18 2HG2 THR 18 -3.038 14.430 -13.749
Start of MODEL 16
1 H1 VAL 1 H VAL 1 2.124 0.198 0.954
2 HA VAL 1 HA VAL 1 3.257 0.954 -1.013
3 HB VAL 1 HB VAL 1 3.512 -1.457 -0.686
4 HG11 VAL 1 1HG1 VAL 1 1.060 -1.682 -2.428
5 HG12 VAL 1 2HG1 VAL 1 2.090 -3.031 -1.943
6 HG13 VAL 1 3HG1 VAL 1 1.186 -2.128 -0.726
7 HG21 VAL 1 3HG2 VAL 1 4.179 -2.036 -2.931
8 HG22 VAL 1 1HG2 VAL 1 3.123 -0.793 -3.602
9 HG23 VAL 1 2HG2 VAL 1 4.531 -0.332 -2.645
10 H TYR 2 H TYR 2 -0.123 0.538 -1.245
11 HA TYR 2 HA TYR 2 -0.095 1.676 -3.964
12 HB2 TYR 2 2HB TYR 2 -1.075 -0.716 -3.542
13 HB3 TYR 2 3HB TYR 2 -2.457 0.167 -2.902
14 HD1 TYR 2 HD2 TYR 2 -0.501 -0.583 -5.916
15 HD2 TYR 2 HD1 TYR 2 -3.913 1.427 -4.359
16 HE1 TYR 2 HE2 TYR 2 -1.362 -0.288 -8.201
17 HE2 TYR 2 HE1 TYR 2 -4.784 1.727 -6.639
18 HH TYR 2 HH TYR 2 -4.296 0.252 -9.004
19 HA PRO 3 HA PRO 3 -2.083 4.628 -0.911
20 HB2 PRO 3 2HB PRO 3 -0.514 6.756 -1.531
21 HB3 PRO 3 3HB PRO 3 -0.082 5.572 -0.292
22 HG2 PRO 3 2HG PRO 3 0.853 5.771 -3.129
23 HG3 PRO 3 3HG PRO 3 1.790 5.425 -1.664
24 HD2 PRO 3 2HD PRO 3 0.988 3.484 -3.373
25 HD3 PRO 3 3HD PRO 3 1.150 3.211 -1.626
26 H PHE 4 H PHE 4 -1.897 4.096 -4.150
27 HA PHE 4 HA PHE 4 -2.804 6.538 -5.252
28 HB2 PHE 4 2HB PHE 4 -3.320 3.762 -6.330
29 HB3 PHE 4 3HB PHE 4 -3.307 5.270 -7.239
30 HD1 PHE 4 HD2 PHE 4 -1.206 2.833 -5.448
31 HD2 PHE 4 HD1 PHE 4 -1.284 6.216 -8.029
32 HE1 PHE 4 HE2 PHE 4 1.185 2.515 -5.930
33 HE2 PHE 4 HE1 PHE 4 1.107 5.904 -8.516
34 HZ PHE 4 HZ PHE 4 2.345 4.052 -7.466
35 H MET 5 H MET 5 -4.946 4.131 -6.214
36 HA MET 5 HA MET 5 -7.273 5.443 -5.807
37 HB2 MET 5 2HB MET 5 -6.519 2.688 -6.260
38 HB3 MET 5 3HB MET 5 -7.950 2.782 -5.242
39 HG2 MET 5 2HG MET 5 -9.198 3.856 -6.879
40 HG3 MET 5 3HG MET 5 -7.767 4.360 -7.774
41 HE1 MET 5 3HE MET 5 -9.830 0.434 -7.410
42 HE2 MET 5 1HE MET 5 -10.312 2.051 -6.894
43 HE3 MET 5 2HE MET 5 -10.645 1.515 -8.541
44 H TRP 6 H TRP 6 -5.515 3.561 -3.413
45 HA TRP 6 HA TRP 6 -7.270 3.190 -1.396
46 HB2 TRP 6 2HB TRP 6 -4.417 3.562 -1.586
47 HB3 TRP 6 3HB TRP 6 -5.025 4.292 -0.102
48 HD1 TRP 6 HD1 TRP 6 -4.230 0.969 -1.661
49 HE1 TRP 6 HE1 TRP 6 -4.733 -0.917 0.018
50 HE3 TRP 6 HE3 TRP 6 -6.752 3.675 1.868
51 HZ2 TRP 6 HZ2 TRP 6 -6.029 -1.217 2.507
52 HZ3 TRP 6 HZ3 TRP 6 -7.591 2.513 3.868
53 HH2 TRP 6 HH2 TRP 6 -7.237 0.117 4.179
54 H GLY 7 H GLY 7 -5.211 6.092 -1.270
55 HA2 GLY 7 2HA GLY 7 -7.393 7.486 0.106
56 HA3 GLY 7 3HA GLY 7 -5.706 7.978 0.084
57 H GLY 8 H GLY 8 -6.275 7.183 -3.006
58 HA2 GLY 8 2HA GLY 8 -7.803 8.675 -4.460
59 HA3 GLY 8 3HA GLY 8 -6.897 9.974 -3.699
60 H ALA 9 H ALA 9 -6.826 7.405 -6.033
61 HA ALA 9 HA ALA 9 -4.170 7.223 -6.705
62 HB1 ALA 9 1HB ALA 9 -4.938 6.699 -9.006
63 HB2 ALA 9 2HB ALA 9 -5.814 5.819 -7.752
64 HB3 ALA 9 3HB ALA 9 -6.561 7.209 -8.540
65 H TYR 10 H TYR 10 -2.683 8.519 -7.586
66 HA TYR 10 HA TYR 10 -3.565 10.959 -8.965
67 HB2 TYR 10 2HB TYR 10 -1.253 11.759 -7.699
68 HB3 TYR 10 3HB TYR 10 -2.889 12.153 -7.184
69 HD1 TYR 10 HD1 TYR 10 -1.130 8.883 -6.965
70 HD2 TYR 10 HD2 TYR 10 -2.722 12.215 -4.851
71 HE1 TYR 10 HE1 TYR 10 -0.736 7.714 -4.837
72 HE2 TYR 10 HE2 TYR 10 -2.331 11.056 -2.718
73 HH TYR 10 HH TYR 10 -2.124 8.566 -1.988
74 H CYS 11 H CYS 11 -2.336 8.248 -9.654
75 HA CYS 11 HA CYS 11 -0.152 9.331 -11.301
76 HB2 CYS 11 2HB CYS 11 -0.200 6.804 -9.672
77 HB3 CYS 11 3HB CYS 11 0.840 6.948 -11.084
78 HG CYS 11 HG CYS 11 1.085 9.471 -8.880
79 H PHE 12 H PHE 12 -0.973 5.974 -11.363
80 HA PHE 12 HA PHE 12 -1.381 5.803 -14.079
81 HB2 PHE 12 2HB PHE 12 -2.295 3.623 -13.707
82 HB3 PHE 12 3HB PHE 12 -1.070 3.888 -12.471
83 HD1 PHE 12 HD1 PHE 12 -2.505 5.527 -10.520
84 HD2 PHE 12 HD2 PHE 12 -3.816 2.158 -12.767
85 HE1 PHE 12 HE1 PHE 12 -4.156 5.007 -8.771
86 HE2 PHE 12 HE2 PHE 12 -5.469 1.633 -11.022
87 HZ PHE 12 HZ PHE 12 -5.641 3.058 -9.022
88 H CYS 13 H CYS 13 -3.456 7.143 -11.738
89 HA CYS 13 HA CYS 13 -5.761 6.999 -13.556
90 HB2 CYS 13 2HB CYS 13 -5.518 7.416 -10.590
91 HB3 CYS 13 3HB CYS 13 -6.968 7.922 -11.448
92 HG CYS 13 HG CYS 13 -7.379 5.435 -10.164
93 H ASP 14 H ASP 14 -3.345 9.074 -12.381
94 HA ASP 14 HA ASP 14 -4.796 11.404 -13.453
95 HB2 ASP 14 2HB ASP 14 -3.498 11.038 -10.870
96 HB3 ASP 14 3HB ASP 14 -2.876 12.441 -11.736
97 H ALA 15 H ALA 15 -1.544 10.147 -12.727
98 HA ALA 15 HA ALA 15 0.039 11.847 -14.134
99 HB1 ALA 15 1HB ALA 15 1.485 10.345 -13.363
100 HB2 ALA 15 2HB ALA 15 0.235 9.105 -13.253
101 HB3 ALA 15 3HB ALA 15 1.099 9.355 -14.771
102 H GLU 16 H GLU 16 -1.553 8.968 -15.512
103 HA GLU 16 HA GLU 16 -0.799 9.698 -18.192
104 HB2 GLU 16 2HB GLU 16 -1.261 7.324 -17.133
105 HB3 GLU 16 3HB GLU 16 -2.914 7.667 -17.621
106 HG2 GLU 16 2HG GLU 16 -2.192 6.597 -19.483
107 HG3 GLU 16 3HG GLU 16 -1.747 8.247 -19.914
108 H ASN 17 H ASN 17 -3.471 10.280 -16.093
109 HA ASN 17 HA ASN 17 -5.477 10.766 -18.018
110 HB2 ASN 17 2HB ASN 17 -5.861 10.430 -15.562
111 HB3 ASN 17 3HB ASN 17 -5.226 12.050 -15.292
112 HD21 ASN 17 1HD2 ASN 17 -6.344 13.821 -16.397
113 HD22 ASN 17 2HD2 ASN 17 -8.055 13.710 -16.608
114 H THR 18 H THR 18 -3.581 13.123 -16.123
115 HA THR 18 HA THR 18 -4.300 15.259 -17.923
116 HB THR 18 HB THR 18 -2.328 15.273 -15.629
117 HG1 THR 18 HG1 THR 18 -4.744 14.853 -15.305
118 HG21 THR 18 3HG2 THR 18 -3.496 17.805 -16.074
119 HG22 THR 18 1HG2 THR 18 -2.941 17.214 -17.640
120 HG23 THR 18 2HG2 THR 18 -1.811 17.335 -16.291
Start of MODEL 17
1 H1 VAL 1 H VAL 1 1.489 -0.588 0.725
2 HA VAL 1 HA VAL 1 3.102 0.813 -0.956
3 HB VAL 1 HB VAL 1 3.297 -1.606 -0.641
4 HG11 VAL 1 1HG1 VAL 1 0.839 -2.054 -0.800
5 HG12 VAL 1 2HG1 VAL 1 0.985 -1.893 -2.552
6 HG13 VAL 1 3HG1 VAL 1 1.853 -3.177 -1.707
7 HG21 VAL 1 3HG2 VAL 1 2.962 -0.912 -3.558
8 HG22 VAL 1 1HG2 VAL 1 4.366 -0.491 -2.577
9 HG23 VAL 1 2HG2 VAL 1 3.979 -2.185 -2.882
10 H TYR 2 H TYR 2 -0.283 0.479 -1.222
11 HA TYR 2 HA TYR 2 -0.204 1.630 -3.934
12 HB2 TYR 2 2HB TYR 2 -1.246 -0.740 -3.534
13 HB3 TYR 2 3HB TYR 2 -2.611 0.173 -2.901
14 HD1 TYR 2 HD2 TYR 2 -0.647 -0.609 -5.902
15 HD2 TYR 2 HD1 TYR 2 -4.022 1.476 -4.365
16 HE1 TYR 2 HE2 TYR 2 -1.480 -0.282 -8.192
17 HE2 TYR 2 HE1 TYR 2 -4.865 1.808 -6.652
18 HH TYR 2 HH TYR 2 -3.414 0.231 -9.392
19 HA PRO 3 HA PRO 3 -2.146 4.614 -0.884
20 HB2 PRO 3 2HB PRO 3 -0.522 6.706 -1.480
21 HB3 PRO 3 3HB PRO 3 -0.129 5.507 -0.243
22 HG2 PRO 3 2HG PRO 3 0.835 5.696 -3.071
23 HG3 PRO 3 3HG PRO 3 1.751 5.320 -1.600
24 HD2 PRO 3 2HD PRO 3 0.917 3.408 -3.325
25 HD3 PRO 3 3HD PRO 3 1.057 3.122 -1.579
26 H PHE 4 H PHE 4 -1.946 4.093 -4.124
27 HA PHE 4 HA PHE 4 -2.784 6.562 -5.221
28 HB2 PHE 4 2HB PHE 4 -3.358 3.804 -6.317
29 HB3 PHE 4 3HB PHE 4 -3.301 5.315 -7.218
30 HD1 PHE 4 HD2 PHE 4 -1.275 2.820 -5.421
31 HD2 PHE 4 HD1 PHE 4 -1.249 6.216 -7.987
32 HE1 PHE 4 HE2 PHE 4 1.112 2.447 -5.886
33 HE2 PHE 4 HE1 PHE 4 1.138 5.848 -8.456
34 HZ PHE 4 HZ PHE 4 2.322 3.962 -7.404
35 H MET 5 H MET 5 -4.975 4.211 -6.212
36 HA MET 5 HA MET 5 -7.273 5.576 -5.819
37 HB2 MET 5 2HB MET 5 -6.582 2.807 -6.280
38 HB3 MET 5 3HB MET 5 -8.018 2.929 -5.272
39 HG2 MET 5 2HG MET 5 -8.747 4.672 -7.099
40 HG3 MET 5 3HG MET 5 -7.594 3.776 -8.086
41 HE1 MET 5 3HE MET 5 -8.303 1.573 -9.387
42 HE2 MET 5 1HE MET 5 -7.589 1.057 -7.859
43 HE3 MET 5 2HE MET 5 -9.070 0.297 -8.441
44 H TRP 6 H TRP 6 -5.581 3.643 -3.419
45 HA TRP 6 HA TRP 6 -7.363 3.306 -1.418
46 HB2 TRP 6 2HB TRP 6 -4.499 3.608 -1.583
47 HB3 TRP 6 3HB TRP 6 -5.102 4.344 -0.101
48 HD1 TRP 6 HD1 TRP 6 -4.371 1.011 -1.666
49 HE1 TRP 6 HE1 TRP 6 -4.938 -0.870 -0.004
50 HE3 TRP 6 HE3 TRP 6 -6.869 3.759 1.847
51 HZ2 TRP 6 HZ2 TRP 6 -6.269 -1.152 2.469
52 HZ3 TRP 6 HZ3 TRP 6 -7.758 2.607 3.832
53 HH2 TRP 6 HH2 TRP 6 -7.463 0.203 4.134
54 H GLY 7 H GLY 7 -5.231 6.154 -1.258
55 HA2 GLY 7 2HA GLY 7 -7.390 7.596 0.105
56 HA3 GLY 7 3HA GLY 7 -5.691 8.045 0.099
57 H GLY 8 H GLY 8 -6.258 7.279 -2.999
58 HA2 GLY 8 2HA GLY 8 -7.734 8.815 -4.458
59 HA3 GLY 8 3HA GLY 8 -6.803 10.088 -3.684
60 H ALA 9 H ALA 9 -6.777 7.532 -6.032
61 HA ALA 9 HA ALA 9 -4.121 7.287 -6.682
62 HB1 ALA 9 1HB ALA 9 -4.883 6.793 -8.992
63 HB2 ALA 9 2HB ALA 9 -5.789 5.928 -7.750
64 HB3 ALA 9 3HB ALA 9 -6.497 7.339 -8.536
65 H TYR 10 H TYR 10 -2.595 8.551 -7.544
66 HA TYR 10 HA TYR 10 -3.406 11.017 -8.919
67 HB2 TYR 10 2HB TYR 10 -1.086 11.755 -7.630
68 HB3 TYR 10 3HB TYR 10 -2.717 12.187 -7.127
69 HD1 TYR 10 HD1 TYR 10 -1.040 8.873 -6.908
70 HD2 TYR 10 HD2 TYR 10 -2.568 12.234 -4.793
71 HE1 TYR 10 HE1 TYR 10 -0.693 7.685 -4.782
72 HE2 TYR 10 HE2 TYR 10 -2.224 11.056 -2.661
73 HH TYR 10 HH TYR 10 -2.097 8.413 -2.020
74 H CYS 11 H CYS 11 -2.238 8.280 -9.612
75 HA CYS 11 HA CYS 11 -0.014 9.317 -11.235
76 HB2 CYS 11 2HB CYS 11 -0.137 6.785 -9.618
77 HB3 CYS 11 3HB CYS 11 0.918 6.910 -11.020
78 HG CYS 11 HG CYS 11 2.291 9.170 -9.954
79 H PHE 12 H PHE 12 -0.914 5.981 -11.320
80 HA PHE 12 HA PHE 12 -1.304 5.834 -14.040
81 HB2 PHE 12 2HB PHE 12 -2.275 3.675 -13.686
82 HB3 PHE 12 3HB PHE 12 -1.053 3.904 -12.439
83 HD1 PHE 12 HD1 PHE 12 -2.465 5.568 -10.493
84 HD2 PHE 12 HD2 PHE 12 -3.839 2.243 -12.767
85 HE1 PHE 12 HE1 PHE 12 -4.142 5.080 -8.760
86 HE2 PHE 12 HE2 PHE 12 -5.519 1.751 -11.038
87 HZ PHE 12 HZ PHE 12 -5.673 3.170 -9.032
88 H CYS 13 H CYS 13 -3.367 7.211 -11.709
89 HA CYS 13 HA CYS 13 -5.659 7.132 -13.547
90 HB2 CYS 13 2HB CYS 13 -5.430 7.530 -10.578
91 HB3 CYS 13 3HB CYS 13 -6.861 8.075 -11.446
92 HG CYS 13 HG CYS 13 -6.711 5.335 -10.078
93 H ASP 14 H ASP 14 -3.203 9.142 -12.343
94 HA ASP 14 HA ASP 14 -4.587 11.511 -13.417
95 HB2 ASP 14 2HB ASP 14 -3.317 11.103 -10.825
96 HB3 ASP 14 3HB ASP 14 -2.663 12.498 -11.678
97 H ALA 15 H ALA 15 -1.373 10.174 -12.665
98 HA ALA 15 HA ALA 15 0.264 11.842 -14.049
99 HB1 ALA 15 1HB ALA 15 1.663 10.300 -13.268
100 HB2 ALA 15 2HB ALA 15 0.384 9.088 -13.186
101 HB3 ALA 15 3HB ALA 15 1.273 9.331 -14.689
102 H GLU 16 H GLU 16 -1.383 9.008 -15.457
103 HA GLU 16 HA GLU 16 -0.587 9.734 -18.126
104 HB2 GLU 16 2HB GLU 16 -1.112 7.365 -17.086
105 HB3 GLU 16 3HB GLU 16 -2.754 7.749 -17.583
106 HG2 GLU 16 2HG GLU 16 -1.702 8.258 -19.878
107 HG3 GLU 16 3HG GLU 16 -0.322 7.346 -19.272
108 H ASN 17 H ASN 17 -3.265 10.365 -16.049
109 HA ASN 17 HA ASN 17 -5.235 10.914 -17.998
110 HB2 ASN 17 2HB ASN 17 -5.651 10.551 -15.544
111 HB3 ASN 17 3HB ASN 17 -5.008 12.165 -15.255
112 HD21 ASN 17 1HD2 ASN 17 -7.427 10.484 -17.225
113 HD22 ASN 17 2HD2 ASN 17 -8.621 11.729 -17.129
114 H THR 18 H THR 18 -3.541 13.292 -15.952
115 HA THR 18 HA THR 18 -3.621 15.160 -18.232
116 HB THR 18 HB THR 18 -3.254 16.342 -15.565
117 HG1 THR 18 HG1 THR 18 -5.473 16.070 -15.020
118 HG21 THR 18 3HG2 THR 18 -3.824 17.317 -17.993
119 HG22 THR 18 1HG2 THR 18 -4.324 18.117 -16.503
120 HG23 THR 18 2HG2 THR 18 -5.465 17.102 -17.385
Start of MODEL 18
1 H1 VAL 1 H VAL 1 1.955 0.361 1.024
2 HA VAL 1 HA VAL 1 3.141 0.991 -0.891
3 HB VAL 1 HB VAL 1 3.353 -1.467 -0.557
4 HG11 VAL 1 1HG1 VAL 1 2.125 -2.970 -2.063
5 HG12 VAL 1 2HG1 VAL 1 1.044 -2.108 -0.966
6 HG13 VAL 1 3HG1 VAL 1 1.183 -1.599 -2.649
7 HG21 VAL 1 3HG2 VAL 1 4.296 -1.930 -2.746
8 HG22 VAL 1 1HG2 VAL 1 3.377 -0.597 -3.445
9 HG23 VAL 1 2HG2 VAL 1 4.652 -0.270 -2.271
10 H TYR 2 H TYR 2 -0.214 0.537 -1.235
11 HA TYR 2 HA TYR 2 -0.119 1.687 -3.948
12 HB2 TYR 2 2HB TYR 2 -1.093 -0.715 -3.564
13 HB3 TYR 2 3HB TYR 2 -2.498 0.155 -2.957
14 HD1 TYR 2 HD2 TYR 2 -0.458 -0.570 -5.920
15 HD2 TYR 2 HD1 TYR 2 -3.921 1.416 -4.448
16 HE1 TYR 2 HE2 TYR 2 -1.260 -0.271 -8.226
17 HE2 TYR 2 HE1 TYR 2 -4.733 1.719 -6.749
18 HH TYR 2 HH TYR 2 -4.304 0.405 -9.040
19 HA PRO 3 HA PRO 3 -2.213 4.611 -0.939
20 HB2 PRO 3 2HB PRO 3 -0.642 6.752 -1.505
21 HB3 PRO 3 3HB PRO 3 -0.237 5.566 -0.259
22 HG2 PRO 3 2HG PRO 3 0.777 5.784 -3.068
23 HG3 PRO 3 3HG PRO 3 1.674 5.437 -1.578
24 HD2 PRO 3 2HD PRO 3 0.934 3.499 -3.318
25 HD3 PRO 3 3HD PRO 3 1.049 3.219 -1.568
26 H PHE 4 H PHE 4 -1.930 4.095 -4.175
27 HA PHE 4 HA PHE 4 -2.822 6.536 -5.291
28 HB2 PHE 4 2HB PHE 4 -3.290 3.762 -6.395
29 HB3 PHE 4 3HB PHE 4 -3.260 5.273 -7.297
30 HD1 PHE 4 HD2 PHE 4 -1.198 2.840 -5.457
31 HD2 PHE 4 HD1 PHE 4 -1.220 6.235 -8.023
32 HE1 PHE 4 HE2 PHE 4 1.209 2.538 -5.872
33 HE2 PHE 4 HE1 PHE 4 1.186 5.938 -8.443
34 HZ PHE 4 HZ PHE 4 2.404 4.088 -7.366
35 H MET 5 H MET 5 -4.920 4.117 -6.320
36 HA MET 5 HA MET 5 -7.266 5.412 -5.977
37 HB2 MET 5 2HB MET 5 -6.481 2.664 -6.416
38 HB3 MET 5 3HB MET 5 -7.941 2.745 -5.439
39 HG2 MET 5 2HG MET 5 -8.793 4.379 -7.230
40 HG3 MET 5 3HG MET 5 -7.480 3.744 -8.219
41 HE1 MET 5 3HE MET 5 -10.281 2.868 -5.883
42 HE2 MET 5 1HE MET 5 -11.320 2.988 -7.303
43 HE3 MET 5 2HE MET 5 -11.040 1.420 -6.545
44 H TRP 6 H TRP 6 -5.563 3.535 -3.539
45 HA TRP 6 HA TRP 6 -7.374 3.147 -1.573
46 HB2 TRP 6 2HB TRP 6 -4.518 3.535 -1.682
47 HB3 TRP 6 3HB TRP 6 -5.172 4.255 -0.213
48 HD1 TRP 6 HD1 TRP 6 -4.310 0.944 -1.759
49 HE1 TRP 6 HE1 TRP 6 -4.852 -0.951 -0.103
50 HE3 TRP 6 HE3 TRP 6 -6.957 3.620 1.701
51 HZ2 TRP 6 HZ2 TRP 6 -6.221 -1.270 2.344
52 HZ3 TRP 6 HZ3 TRP 6 -7.849 2.445 3.670
53 HH2 TRP 6 HH2 TRP 6 -7.488 0.050 3.983
54 H GLY 7 H GLY 7 -5.333 6.059 -1.379
55 HA2 GLY 7 2HA GLY 7 -7.561 7.437 -0.062
56 HA3 GLY 7 3HA GLY 7 -5.877 7.937 -0.034
57 H GLY 8 H GLY 8 -6.363 7.147 -3.142
58 HA2 GLY 8 2HA GLY 8 -7.853 8.636 -4.634
59 HA3 GLY 8 3HA GLY 8 -6.978 9.939 -3.843
60 H ALA 9 H ALA 9 -6.824 7.382 -6.186
61 HA ALA 9 HA ALA 9 -4.149 7.218 -6.780
62 HB1 ALA 9 1HB ALA 9 -5.750 5.808 -7.880
63 HB2 ALA 9 2HB ALA 9 -6.487 7.196 -8.682
64 HB3 ALA 9 3HB ALA 9 -4.849 6.701 -9.106
65 H TYR 10 H TYR 10 -2.645 8.528 -7.612
66 HA TYR 10 HA TYR 10 -3.501 10.968 -9.005
67 HB2 TYR 10 2HB TYR 10 -1.232 11.776 -7.669
68 HB3 TYR 10 3HB TYR 10 -2.885 12.159 -7.201
69 HD1 TYR 10 HD1 TYR 10 -1.114 8.898 -6.943
70 HD2 TYR 10 HD2 TYR 10 -2.788 12.211 -4.864
71 HE1 TYR 10 HE1 TYR 10 -0.776 7.722 -4.809
72 HE2 TYR 10 HE2 TYR 10 -2.454 11.045 -2.725
73 HH TYR 10 HH TYR 10 -0.696 9.079 -1.955
74 H CYS 11 H CYS 11 -2.236 8.268 -9.671
75 HA CYS 11 HA CYS 11 -0.011 9.371 -11.248
76 HB2 CYS 11 2HB CYS 11 -0.092 6.837 -9.632
77 HB3 CYS 11 3HB CYS 11 0.988 6.993 -11.012
78 HG CYS 11 HG CYS 11 2.546 8.969 -9.985
79 H PHE 12 H PHE 12 -0.809 6.009 -11.349
80 HA PHE 12 HA PHE 12 -1.137 5.849 -14.076
81 HB2 PHE 12 2HB PHE 12 -2.049 3.662 -13.740
82 HB3 PHE 12 3HB PHE 12 -0.861 3.929 -12.468
83 HD1 PHE 12 HD1 PHE 12 -2.363 5.550 -10.553
84 HD2 PHE 12 HD2 PHE 12 -3.587 2.183 -12.851
85 HE1 PHE 12 HE1 PHE 12 -4.061 5.012 -8.856
86 HE2 PHE 12 HE2 PHE 12 -5.287 1.640 -11.158
87 HZ PHE 12 HZ PHE 12 -5.527 3.056 -9.157
88 H CYS 13 H CYS 13 -3.288 7.165 -11.791
89 HA CYS 13 HA CYS 13 -5.538 7.016 -13.676
90 HB2 CYS 13 2HB CYS 13 -5.384 7.421 -10.703
91 HB3 CYS 13 3HB CYS 13 -6.812 7.922 -11.602
92 HG CYS 13 HG CYS 13 -7.826 5.615 -10.963
93 H ASP 14 H ASP 14 -3.170 9.099 -12.423
94 HA ASP 14 HA ASP 14 -4.603 11.426 -13.526
95 HB2 ASP 14 2HB ASP 14 -3.379 11.055 -10.908
96 HB3 ASP 14 3HB ASP 14 -2.740 12.465 -11.748
97 H ALA 15 H ALA 15 -1.366 10.184 -12.711
98 HA ALA 15 HA ALA 15 0.248 11.901 -14.063
99 HB1 ALA 15 1HB ALA 15 1.681 10.404 -13.261
100 HB2 ALA 15 2HB ALA 15 0.435 9.157 -13.188
101 HB3 ALA 15 3HB ALA 15 1.337 9.415 -14.681
102 H GLU 16 H GLU 16 -1.290 9.021 -15.501
103 HA GLU 16 HA GLU 16 -0.461 9.768 -18.155
104 HB2 GLU 16 2HB GLU 16 -0.939 7.385 -17.121
105 HB3 GLU 16 3HB GLU 16 -2.580 7.722 -17.655
106 HG2 GLU 16 2HG GLU 16 -0.444 8.188 -19.633
107 HG3 GLU 16 3HG GLU 16 -0.743 6.512 -19.178
108 H ASN 17 H ASN 17 -3.195 10.324 -16.130
109 HA ASN 17 HA ASN 17 -5.146 10.810 -18.114
110 HB2 ASN 17 2HB ASN 17 -5.601 10.451 -15.670
111 HB3 ASN 17 3HB ASN 17 -4.992 12.076 -15.372
112 HD21 ASN 17 1HD2 ASN 17 -7.505 11.426 -14.606
113 HD22 ASN 17 2HD2 ASN 17 -8.662 12.232 -15.605
114 H THR 18 H THR 18 -3.433 13.205 -16.097
115 HA THR 18 HA THR 18 -3.914 15.225 -18.152
116 HB THR 18 HB THR 18 -3.186 16.862 -16.496
117 HG1 THR 18 HG1 THR 18 -1.818 16.123 -15.059
118 HG21 THR 18 3HG2 THR 18 -5.226 14.836 -15.628
119 HG22 THR 18 1HG2 THR 18 -5.484 16.435 -16.323
120 HG23 THR 18 2HG2 THR 18 -4.897 16.277 -14.667
Start of MODEL 19
1 H1 VAL 1 H VAL 1 2.554 -2.609 -1.810
2 HA VAL 1 HA VAL 1 1.145 -1.133 -0.791
3 HB VAL 1 HB VAL 1 3.273 -0.103 0.062
4 HG11 VAL 1 1HG1 VAL 1 4.442 1.435 -1.082
5 HG12 VAL 1 2HG1 VAL 1 3.609 0.773 -2.490
6 HG13 VAL 1 3HG1 VAL 1 2.991 2.224 -1.699
7 HG21 VAL 1 3HG2 VAL 1 1.904 2.309 0.047
8 HG22 VAL 1 1HG2 VAL 1 0.646 1.093 -0.171
9 HG23 VAL 1 2HG2 VAL 1 1.725 1.006 1.221
10 H TYR 2 H TYR 2 -0.609 -0.059 -1.519
11 HA TYR 2 HA TYR 2 -0.424 1.175 -4.190
12 HB2 TYR 2 2HB TYR 2 -1.753 -1.070 -3.819
13 HB3 TYR 2 3HB TYR 2 -2.992 0.009 -3.188
14 HD1 TYR 2 HD2 TYR 2 -1.038 -0.889 -6.184
15 HD2 TYR 2 HD1 TYR 2 -4.281 1.397 -4.645
16 HE1 TYR 2 HE2 TYR 2 -1.796 -0.430 -8.478
17 HE2 TYR 2 HE1 TYR 2 -5.048 1.861 -6.935
18 HH TYR 2 HH TYR 2 -3.149 0.949 -9.730
19 HA PRO 3 HA PRO 3 -1.919 4.290 -1.039
20 HB2 PRO 3 2HB PRO 3 -0.121 6.212 -1.705
21 HB3 PRO 3 3HB PRO 3 0.213 4.960 -0.503
22 HG2 PRO 3 2HG PRO 3 1.036 5.093 -3.378
23 HG3 PRO 3 3HG PRO 3 1.986 4.602 -1.964
24 HD2 PRO 3 2HD PRO 3 0.866 2.812 -3.658
25 HD3 PRO 3 3HD PRO 3 1.071 2.487 -1.925
26 H PHE 4 H PHE 4 -1.982 3.785 -4.277
27 HA PHE 4 HA PHE 4 -2.648 6.371 -5.266
28 HB2 PHE 4 2HB PHE 4 -3.416 3.702 -6.459
29 HB3 PHE 4 3HB PHE 4 -3.290 5.246 -7.297
30 HD1 PHE 4 HD2 PHE 4 -1.363 2.577 -5.636
31 HD2 PHE 4 HD1 PHE 4 -1.219 6.032 -8.117
32 HE1 PHE 4 HE2 PHE 4 0.983 2.081 -6.184
33 HE2 PHE 4 HE1 PHE 4 1.128 5.541 -8.671
34 HZ PHE 4 HZ PHE 4 2.232 3.564 -7.703
35 H MET 5 H MET 5 -5.003 4.220 -6.307
36 HA MET 5 HA MET 5 -7.205 5.681 -5.791
37 HB2 MET 5 2HB MET 5 -6.687 2.891 -6.348
38 HB3 MET 5 3HB MET 5 -8.089 3.068 -5.301
39 HG2 MET 5 2HG MET 5 -9.020 4.695 -6.936
40 HG3 MET 5 3HG MET 5 -7.672 4.315 -8.004
41 HE1 MET 5 3HE MET 5 -10.941 3.629 -9.104
42 HE2 MET 5 1HE MET 5 -9.334 4.039 -9.706
43 HE3 MET 5 2HE MET 5 -10.055 2.481 -10.109
44 H TRP 6 H TRP 6 -5.582 3.554 -3.504
45 HA TRP 6 HA TRP 6 -7.321 3.271 -1.462
46 HB2 TRP 6 2HB TRP 6 -4.448 3.405 -1.698
47 HB3 TRP 6 3HB TRP 6 -4.969 4.117 -0.174
48 HD1 TRP 6 HD1 TRP 6 -4.502 0.808 -1.896
49 HE1 TRP 6 HE1 TRP 6 -5.131 -1.099 -0.286
50 HE3 TRP 6 HE3 TRP 6 -6.686 3.565 1.815
51 HZ2 TRP 6 HZ2 TRP 6 -6.388 -1.395 2.224
52 HZ3 TRP 6 HZ3 TRP 6 -7.577 2.393 3.786
53 HH2 TRP 6 HH2 TRP 6 -7.430 -0.036 3.985
54 H GLY 7 H GLY 7 -5.008 5.970 -1.268
55 HA2 GLY 7 2HA GLY 7 -7.033 7.499 0.200
56 HA3 GLY 7 3HA GLY 7 -5.309 7.842 0.157
57 H GLY 8 H GLY 8 -6.018 7.213 -2.945
58 HA2 GLY 8 2HA GLY 8 -7.428 8.881 -4.315
59 HA3 GLY 8 3HA GLY 8 -6.408 10.073 -3.523
60 H ALA 9 H ALA 9 -6.578 7.591 -5.947
61 HA ALA 9 HA ALA 9 -3.953 7.230 -6.671
62 HB1 ALA 9 1HB ALA 9 -5.696 5.981 -7.736
63 HB2 ALA 9 2HB ALA 9 -6.378 7.445 -8.447
64 HB3 ALA 9 3HB ALA 9 -4.804 6.856 -8.981
65 H TYR 10 H TYR 10 -2.386 8.440 -7.537
66 HA TYR 10 HA TYR 10 -3.105 10.985 -8.818
67 HB2 TYR 10 2HB TYR 10 -0.733 11.598 -7.595
68 HB3 TYR 10 3HB TYR 10 -2.324 12.035 -6.983
69 HD1 TYR 10 HD1 TYR 10 -0.772 8.661 -7.017
70 HD2 TYR 10 HD2 TYR 10 -1.985 11.989 -4.660
71 HE1 TYR 10 HE1 TYR 10 -0.336 7.365 -4.973
72 HE2 TYR 10 HE2 TYR 10 -1.550 10.703 -2.609
73 HH TYR 10 HH TYR 10 -1.506 8.040 -2.083
74 H CYS 11 H CYS 11 -2.110 8.216 -9.632
75 HA CYS 11 HA CYS 11 0.127 9.182 -11.282
76 HB2 CYS 11 2HB CYS 11 -0.107 6.602 -9.757
77 HB3 CYS 11 3HB CYS 11 0.918 6.719 -11.182
78 HG CYS 11 HG CYS 11 1.504 9.199 -9.057
79 H PHE 12 H PHE 12 -0.956 5.910 -11.474
80 HA PHE 12 HA PHE 12 -1.431 5.890 -14.181
81 HB2 PHE 12 2HB PHE 12 -2.519 3.780 -13.880
82 HB3 PHE 12 3HB PHE 12 -1.252 3.889 -12.662
83 HD1 PHE 12 HD1 PHE 12 -2.502 5.549 -10.610
84 HD2 PHE 12 HD2 PHE 12 -4.145 2.412 -12.972
85 HE1 PHE 12 HE1 PHE 12 -4.157 5.094 -8.848
86 HE2 PHE 12 HE2 PHE 12 -5.803 1.952 -11.213
87 HZ PHE 12 HZ PHE 12 -5.812 3.294 -9.148
88 H CYS 13 H CYS 13 -3.365 7.263 -11.730
89 HA CYS 13 HA CYS 13 -5.700 7.395 -13.508
90 HB2 CYS 13 2HB CYS 13 -5.364 7.670 -10.535
91 HB3 CYS 13 3HB CYS 13 -6.782 8.333 -11.338
92 HG CYS 13 HG CYS 13 -6.756 5.535 -10.078
93 H ASP 14 H ASP 14 -3.102 9.221 -12.302
94 HA ASP 14 HA ASP 14 -4.377 11.701 -13.256
95 HB2 ASP 14 2HB ASP 14 -3.072 11.128 -10.717
96 HB3 ASP 14 3HB ASP 14 -2.339 12.501 -11.542
97 H ALA 15 H ALA 15 -1.209 10.195 -12.625
98 HA ALA 15 HA ALA 15 0.503 11.777 -13.969
99 HB1 ALA 15 1HB ALA 15 0.429 8.994 -13.277
100 HB2 ALA 15 2HB ALA 15 1.217 9.210 -14.841
101 HB3 ALA 15 3HB ALA 15 1.816 10.073 -13.425
102 H GLU 16 H GLU 16 -1.689 9.433 -15.474
103 HA GLU 16 HA GLU 16 -0.978 10.538 -18.106
104 HB2 GLU 16 2HB GLU 16 -0.875 7.975 -17.476
105 HB3 GLU 16 3HB GLU 16 -2.600 8.048 -17.803
106 HG2 GLU 16 2HG GLU 16 -1.927 9.133 -20.029
107 HG3 GLU 16 3HG GLU 16 -0.313 8.518 -19.674
108 H ASN 17 H ASN 17 -3.502 10.213 -15.787
109 HA ASN 17 HA ASN 17 -5.406 11.413 -17.691
110 HB2 ASN 17 2HB ASN 17 -5.776 9.353 -15.558
111 HB3 ASN 17 3HB ASN 17 -7.102 10.461 -15.895
112 HD21 ASN 17 1HD2 ASN 17 -7.459 10.729 -18.366
113 HD22 ASN 17 2HD2 ASN 17 -7.551 9.246 -19.248
114 H THR 18 H THR 18 -4.137 13.373 -16.886
115 HA THR 18 HA THR 18 -4.293 14.370 -14.307
116 HB THR 18 HB THR 18 -4.486 16.667 -15.725
117 HG1 THR 18 HG1 THR 18 -4.557 16.057 -17.771
118 HG21 THR 18 3HG2 THR 18 -1.852 15.412 -16.019
119 HG22 THR 18 1HG2 THR 18 -2.524 15.312 -14.392
120 HG23 THR 18 2HG2 THR 18 -2.317 16.884 -15.165
Start of MODEL 20
1 H1 VAL 1 H VAL 1 2.807 -2.529 -1.688
2 HA VAL 1 HA VAL 1 1.215 -1.113 -0.872
3 HB VAL 1 HB VAL 1 3.331 -0.057 -0.020
4 HG11 VAL 1 1HG1 VAL 1 4.477 1.500 -1.162
5 HG12 VAL 1 2HG1 VAL 1 3.653 0.827 -2.570
6 HG13 VAL 1 3HG1 VAL 1 3.014 2.268 -1.778
7 HG21 VAL 1 3HG2 VAL 1 0.691 1.134 -0.272
8 HG22 VAL 1 1HG2 VAL 1 1.744 1.003 1.138
9 HG23 VAL 1 2HG2 VAL 1 1.953 2.335 0.002
10 H TYR 2 H TYR 2 -0.554 -0.063 -1.599
11 HA TYR 2 HA TYR 2 -0.387 1.179 -4.267
12 HB2 TYR 2 2HB TYR 2 -1.685 -1.085 -3.899
13 HB3 TYR 2 3HB TYR 2 -2.938 -0.024 -3.267
14 HD1 TYR 2 HD2 TYR 2 -0.972 -0.889 -6.264
15 HD2 TYR 2 HD1 TYR 2 -4.247 1.347 -4.721
16 HE1 TYR 2 HE2 TYR 2 -1.737 -0.436 -8.558
17 HE2 TYR 2 HE1 TYR 2 -5.021 1.805 -7.010
18 HH TYR 2 HH TYR 2 -3.106 1.214 -9.750
19 HA PRO 3 HA PRO 3 -1.923 4.267 -1.110
20 HB2 PRO 3 2HB PRO 3 -0.153 6.215 -1.772
21 HB3 PRO 3 3HB PRO 3 0.199 4.965 -0.573
22 HG2 PRO 3 2HG PRO 3 1.019 5.115 -3.448
23 HG3 PRO 3 3HG PRO 3 1.976 4.635 -2.035
24 HD2 PRO 3 2HD PRO 3 0.880 2.832 -3.732
25 HD3 PRO 3 3HD PRO 3 1.090 2.507 -2.000
26 H PHE 4 H PHE 4 -1.983 3.766 -4.348
27 HA PHE 4 HA PHE 4 -2.684 6.345 -5.332
28 HB2 PHE 4 2HB PHE 4 -3.417 3.668 -6.529
29 HB3 PHE 4 3HB PHE 4 -3.312 5.214 -7.364
30 HD1 PHE 4 HD2 PHE 4 -1.349 2.569 -5.708
31 HD2 PHE 4 HD1 PHE 4 -1.253 6.029 -8.185
32 HE1 PHE 4 HE2 PHE 4 1.004 2.105 -6.259
33 HE2 PHE 4 HE1 PHE 4 1.099 5.570 -8.741
34 HZ PHE 4 HZ PHE 4 2.231 3.607 -7.777
35 H MET 5 H MET 5 -5.011 4.166 -6.375
36 HA MET 5 HA MET 5 -7.231 5.597 -5.855
37 HB2 MET 5 2HB MET 5 -6.677 2.815 -6.419
38 HB3 MET 5 3HB MET 5 -8.080 2.971 -5.370
39 HG2 MET 5 2HG MET 5 -8.338 4.909 -7.404
40 HG3 MET 5 3HG MET 5 -7.880 3.392 -8.175
41 HE1 MET 5 3HE MET 5 -10.365 5.567 -7.511
42 HE2 MET 5 1HE MET 5 -11.889 4.685 -7.408
43 HE3 MET 5 2HE MET 5 -10.986 5.059 -5.940
44 H TRP 6 H TRP 6 -5.579 3.485 -3.574
45 HA TRP 6 HA TRP 6 -7.312 3.173 -1.532
46 HB2 TRP 6 2HB TRP 6 -4.442 3.347 -1.770
47 HB3 TRP 6 3HB TRP 6 -4.970 4.051 -0.244
48 HD1 TRP 6 HD1 TRP 6 -4.455 0.750 -1.966
49 HE1 TRP 6 HE1 TRP 6 -5.059 -1.166 -0.357
50 HE3 TRP 6 HE3 TRP 6 -6.686 3.474 1.742
51 HZ2 TRP 6 HZ2 TRP 6 -6.316 -1.482 2.151
52 HZ3 TRP 6 HZ3 TRP 6 -7.563 2.288 3.711
53 HH2 TRP 6 HH2 TRP 6 -7.381 -0.139 3.909
54 H GLY 7 H GLY 7 -5.038 5.906 -1.335
55 HA2 GLY 7 2HA GLY 7 -7.084 7.402 0.137
56 HA3 GLY 7 3HA GLY 7 -5.366 7.769 0.097
57 H GLY 8 H GLY 8 -6.060 7.139 -3.007
58 HA2 GLY 8 2HA GLY 8 -7.495 8.793 -4.373
59 HA3 GLY 8 3HA GLY 8 -6.488 9.995 -3.579
60 H ALA 9 H ALA 9 -6.631 7.517 -6.010
61 HA ALA 9 HA ALA 9 -4.002 7.189 -6.736
62 HB1 ALA 9 1HB ALA 9 -4.848 6.805 -9.044
63 HB2 ALA 9 2HB ALA 9 -5.733 5.921 -7.801
64 HB3 ALA 9 3HB ALA 9 -6.429 7.377 -8.511
65 H TYR 10 H TYR 10 -2.452 8.420 -7.602
66 HA TYR 10 HA TYR 10 -3.204 10.957 -8.879
67 HB2 TYR 10 2HB TYR 10 -0.838 11.598 -7.658
68 HB3 TYR 10 3HB TYR 10 -2.434 12.015 -7.043
69 HD1 TYR 10 HD1 TYR 10 -0.840 8.661 -7.083
70 HD2 TYR 10 HD2 TYR 10 -2.093 11.970 -4.721
71 HE1 TYR 10 HE1 TYR 10 -0.385 7.368 -5.040
72 HE2 TYR 10 HE2 TYR 10 -1.641 10.687 -2.672
73 HH TYR 10 HH TYR 10 -1.502 8.260 -2.014
74 H CYS 11 H CYS 11 -2.174 8.203 -9.698
75 HA CYS 11 HA CYS 11 0.047 9.199 -11.349
76 HB2 CYS 11 2HB CYS 11 -0.151 6.615 -9.826
77 HB3 CYS 11 3HB CYS 11 0.870 6.746 -11.252
78 HG CYS 11 HG CYS 11 1.833 9.276 -9.687
79 H PHE 12 H PHE 12 -0.993 5.913 -11.543
80 HA PHE 12 HA PHE 12 -1.471 5.890 -14.249
81 HB2 PHE 12 2HB PHE 12 -2.531 3.765 -13.949
82 HB3 PHE 12 3HB PHE 12 -1.264 3.890 -12.733
83 HD1 PHE 12 HD1 PHE 12 -2.533 5.531 -10.677
84 HD2 PHE 12 HD2 PHE 12 -4.139 2.377 -13.041
85 HE1 PHE 12 HE1 PHE 12 -4.180 5.052 -8.913
86 HE2 PHE 12 HE2 PHE 12 -5.789 1.894 -11.282
87 HZ PHE 12 HZ PHE 12 -5.812 3.232 -9.215
88 H CYS 13 H CYS 13 -3.419 7.236 -11.795
89 HA CYS 13 HA CYS 13 -5.758 7.338 -13.570
90 HB2 CYS 13 2HB CYS 13 -5.422 7.614 -10.597
91 HB3 CYS 13 3HB CYS 13 -6.850 8.261 -11.397
92 HG CYS 13 HG CYS 13 -6.242 5.116 -12.287
93 H ASP 14 H ASP 14 -3.183 9.197 -12.364
94 HA ASP 14 HA ASP 14 -4.491 11.661 -13.314
95 HB2 ASP 14 2HB ASP 14 -3.177 11.103 -10.777
96 HB3 ASP 14 3HB ASP 14 -2.461 12.485 -11.601
97 H ALA 15 H ALA 15 -1.303 10.194 -12.689
98 HA ALA 15 HA ALA 15 0.386 11.801 -14.033
99 HB1 ALA 15 1HB ALA 15 1.723 10.113 -13.496
100 HB2 ALA 15 2HB ALA 15 0.350 9.016 -13.345
101 HB3 ALA 15 3HB ALA 15 1.129 9.243 -14.911
102 H GLU 16 H GLU 16 -1.767 9.422 -15.542
103 HA GLU 16 HA GLU 16 -1.068 10.531 -18.174
104 HB2 GLU 16 2HB GLU 16 -0.973 7.970 -17.536
105 HB3 GLU 16 3HB GLU 16 -2.698 8.048 -17.864
106 HG2 GLU 16 2HG GLU 16 -2.184 7.677 -19.987
107 HG3 GLU 16 3HG GLU 16 -1.576 9.331 -20.029
108 H ASN 17 H ASN 17 -3.592 10.222 -15.854
109 HA ASN 17 HA ASN 17 -5.486 11.437 -17.758
110 HB2 ASN 17 2HB ASN 17 -5.890 9.377 -15.622
111 HB3 ASN 17 3HB ASN 17 -7.212 10.471 -16.021
112 HD21 ASN 17 1HD2 ASN 17 -4.779 8.537 -17.741
113 HD22 ASN 17 2HD2 ASN 17 -5.878 7.880 -18.901
114 H THR 18 H THR 18 -4.101 13.330 -16.837
115 HA THR 18 HA THR 18 -4.675 14.238 -14.200
116 HB THR 18 HB THR 18 -3.871 16.138 -16.366
117 HG1 THR 18 HG1 THR 18 -1.638 15.265 -15.752
118 HG21 THR 18 3HG2 THR 18 -2.508 15.884 -13.737
119 HG22 THR 18 1HG2 THR 18 -4.153 16.515 -13.750
120 HG23 THR 18 2HG2 THR 18 -2.891 17.326 -14.677