Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
638235 | 6qxb RC | 34366 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 1H PHE 1 -11.572 7.725 -0.551
2 H2 PHE 1 2H PHE 1 -10.715 8.104 0.822
3 H3 PHE 1 3H PHE 1 -9.938 7.957 -0.620
4 HA PHE 1 HA PHE 1 -11.278 5.729 0.844
5 HB2 PHE 1 2HB PHE 1 -9.557 5.488 -1.714
6 HB3 PHE 1 1HB PHE 1 -10.399 4.203 -0.894
7 HD1 PHE 1 HD1 PHE 1 -13.108 4.620 -0.609
8 HD2 PHE 1 HD2 PHE 1 -10.607 6.388 -3.640
9 HE1 PHE 1 HE1 PHE 1 -15.096 5.175 -1.944
10 HE2 PHE 1 HE2 PHE 1 -12.604 6.916 -4.966
11 HZ PHE 1 HZ PHE 1 -14.853 6.332 -4.117
12 H VAL 2 H VAL 2 -9.852 4.234 1.861
13 HA VAL 2 HA VAL 2 -6.916 5.139 2.115
14 HB VAL 2 HB VAL 2 -8.448 3.732 4.340
15 HG11 VAL 2 1HG1 VAL 2 -5.731 3.751 4.094
16 HG12 VAL 2 2HG1 VAL 2 -5.898 5.371 4.797
17 HG13 VAL 2 3HG1 VAL 2 -6.524 3.953 5.661
18 HG21 VAL 2 1HG2 VAL 2 -9.515 5.928 4.267
19 HG22 VAL 2 2HG2 VAL 2 -8.347 5.998 5.595
20 HG23 VAL 2 3HG2 VAL 2 -7.969 6.769 4.031
21 HA JKH 3 HA CAP 3 -6.792 0.716 0.464
22 HD2 JKH 3 1HD CAP 3 -7.726 4.118 -0.790
23 HD3 JKH 3 2HD CAP 3 -6.264 4.852 -0.097
24 HB3 JKH 3 2HB CAP 3 -5.393 1.097 -1.833
25 HB2 JKH 3 1HB CAP 3 -7.108 1.449 -1.742
26 HG JKH 3 HG CAP 3 -6.352 3.546 -2.587
27 HG22 JKH 3 1HG2 CAP 3 -4.276 4.597 -1.612
28 HG21 JKH 3 2HG2 CAP 3 -4.042 3.203 -0.728
29 HG23 JKH 3 3HG2 CAP 3 -3.955 3.148 -2.353
30 H TRP 4 H TRP 4 -5.670 1.199 2.634
31 HA TRP 4 HA TRP 4 -2.781 1.375 2.921
32 HB2 TRP 4 1HB TRP 4 -3.007 -0.064 4.953
33 HB3 TRP 4 2HB TRP 4 -4.008 1.358 4.921
34 HD1 TRP 4 HD1 TRP 4 -6.659 1.083 4.991
35 HE1 TRP 4 HE1 TRP 4 -8.383 -0.905 5.279
36 HE3 TRP 4 HE3 TRP 4 -3.274 -2.713 4.464
37 HZ2 TRP 4 HZ2 TRP 4 -8.122 -3.730 5.186
38 HZ3 TRP 4 HZ3 TRP 4 -4.080 -5.048 4.561
39 HH2 TRP 4 HH2 TRP 4 -6.466 -5.552 4.892
40 H PHE 5 H PHE 5 -4.674 -1.371 1.810
41 HA PHE 5 HA PHE 5 -2.579 -3.275 1.469
42 HB2 PHE 5 2HB PHE 5 -5.260 -3.410 1.052
43 HB3 PHE 5 1HB PHE 5 -4.826 -3.078 -0.601
44 HD1 PHE 5 HD1 PHE 5 -4.411 -5.075 -1.942
45 HD2 PHE 5 HD2 PHE 5 -3.723 -5.261 2.295
46 HE1 PHE 5 HE1 PHE 5 -3.881 -7.477 -2.119
47 HE2 PHE 5 HE2 PHE 5 -3.169 -7.643 2.105
48 HZ PHE 5 HZ PHE 5 -3.248 -8.761 -0.100
49 H SER 6 H SER 6 -3.258 -0.549 -0.625
50 HA SER 6 HA SER 6 -0.962 -1.289 -2.495
51 HB2 SER 6 2HB SER 6 -2.288 1.328 -3.053
52 HB3 SER 6 1HB SER 6 -1.840 0.007 -4.115
53 HG SER 6 HG SER 6 -4.029 0.074 -4.144
54 H LYS 7 H LYS 7 -1.292 0.341 0.396
55 HA LYS 7 HA LYS 7 0.929 2.366 -0.109
56 HB2 LYS 7 2HB LYS 7 -1.441 2.485 1.521
57 HB3 LYS 7 1HB LYS 7 -0.191 2.161 2.685
58 HG2 LYS 7 2HG LYS 7 1.110 4.172 1.446
59 HG3 LYS 7 1HG LYS 7 -0.463 4.505 0.719
60 HD2 LYS 7 2HD LYS 7 -1.509 4.803 2.962
61 HD3 LYS 7 1HD LYS 7 -0.033 4.309 3.779
62 HE2 LYS 7 2HE LYS 7 1.165 6.278 3.340
63 HE3 LYS 7 1HE LYS 7 0.354 6.618 1.820
64 HZ1 LYS 7 1HZ LYS 7 -0.418 8.181 3.574
65 HZ2 LYS 7 2HZ LYS 7 -1.683 7.261 3.078
66 HZ3 LYS 7 3HZ LYS 7 -0.962 6.947 4.519
67 H PHE 8 H PHE 8 0.356 -0.567 1.786
68 HA PHE 8 HA PHE 8 3.184 -0.628 2.846
69 HB2 PHE 8 2HB PHE 8 2.570 -2.280 4.248
70 HB3 PHE 8 1HB PHE 8 1.023 -1.539 4.077
71 HD1 PHE 8 HD1 PHE 8 -0.360 -2.668 1.840
72 HD2 PHE 8 HD2 PHE 8 2.606 -4.640 4.225
73 HE1 PHE 8 HE1 PHE 8 -1.111 -4.857 0.987
74 HE2 PHE 8 HE2 PHE 8 1.801 -6.817 3.400
75 HZ PHE 8 HZ PHE 8 -0.058 -6.915 1.768
76 H LEU 9 H LEU 9 1.381 -2.313 0.300
77 HA LEU 9 HA LEU 9 3.186 -4.306 -0.440
78 HB2 LEU 9 2HB LEU 9 0.797 -3.808 -1.235
79 HB3 LEU 9 1HB LEU 9 1.453 -2.757 -2.449
80 HG LEU 9 HG LEU 9 2.795 -5.421 -2.520
81 HD11 LEU 9 1HD1 LEU 9 0.880 -6.449 -1.551
82 HD12 LEU 9 2HD1 LEU 9 -0.267 -5.491 -2.514
83 HD13 LEU 9 3HD1 LEU 9 0.733 -6.743 -3.294
84 HD21 LEU 9 1HD2 LEU 9 2.748 -3.816 -4.456
85 HD22 LEU 9 2HD2 LEU 9 2.095 -5.401 -4.902
86 HD23 LEU 9 3HD2 LEU 9 0.985 -4.043 -4.610
87 H GLY 10 H GLY 10 3.335 -1.017 -1.784
88 HA2 GLY 10 1HA GLY 10 5.615 -1.074 -3.559
89 HA3 GLY 10 2HA GLY 10 5.261 0.251 -2.474
90 H ARG 11 H ARG 11 5.731 -0.932 -0.028
91 HA ARG 11 HA ARG 11 8.745 -1.103 0.170
92 HB2 ARG 11 2HB ARG 11 6.457 -1.164 2.236
93 HB3 ARG 11 1HB ARG 11 8.087 -1.513 2.708
94 HG2 ARG 11 2HG ARG 11 7.406 1.134 1.273
95 HG3 ARG 11 1HG ARG 11 7.163 0.905 2.983
96 HD2 ARG 11 2HD ARG 11 9.866 -0.055 2.566
97 HD3 ARG 11 1HD ARG 11 9.715 1.271 1.406
98 HE ARG 11 HE ARG 11 8.651 2.051 4.079
99 HH11 ARG 11 1HH1 ARG 11 12.565 2.676 3.595
100 HH12 ARG 11 2HH1 ARG 11 11.672 1.577 2.436
101 HH21 ARG 11 1HH2 ARG 11 11.458 3.587 5.187
102 HH22 ARG 11 2HH2 ARG 11 9.673 3.280 5.375
103 H ILE 12 H ILE 12 6.025 -3.376 0.732
104 HA ILE 12 HA ILE 12 7.645 -5.724 1.471
105 HB ILE 12 HB ILE 12 4.924 -5.595 0.083
106 HG12 ILE 12 2HG1 ILE 12 4.851 -4.473 2.303
107 HG13 ILE 12 1HG1 ILE 12 3.824 -5.863 2.166
108 HG21 ILE 12 1HG2 ILE 12 4.473 -7.928 1.002
109 HG22 ILE 12 2HG2 ILE 12 5.688 -7.872 -0.285
110 HG23 ILE 12 3HG2 ILE 12 6.203 -8.052 1.406
111 HD11 ILE 12 1HD1 ILE 12 6.572 -6.004 3.587
112 HD12 ILE 12 2HD1 ILE 12 5.045 -5.624 4.419
113 HD13 ILE 12 3HD1 ILE 12 5.260 -7.210 3.648
114 H LEU 13 H LEU 13 6.688 -4.578 -1.750
115 HA LEU 13 HA LEU 13 7.888 -6.738 -3.331
116 HB2 LEU 13 2HB LEU 13 6.997 -3.845 -3.846
117 HB3 LEU 13 1HB LEU 13 7.917 -4.625 -5.073
118 HG LEU 13 HG LEU 13 5.314 -4.638 -5.180
119 HD11 LEU 13 1HD1 LEU 13 5.431 -7.077 -6.278
120 HD12 LEU 13 2HD1 LEU 13 6.377 -5.744 -6.959
121 HD13 LEU 13 3HD1 LEU 13 7.168 -6.955 -5.921
122 HD21 LEU 13 1HD2 LEU 13 4.884 -5.707 -2.917
123 HD22 LEU 13 2HD2 LEU 13 4.088 -6.536 -4.265
124 HD23 LEU 13 3HD2 LEU 13 5.549 -7.225 -3.519
125 HN1 NH2 14 1HN NH2 14 11.109 -4.218 -2.972
126 HN2 NH2 14 2HN NH2 14 9.434 -3.454 -2.876
Start of MODEL 2
1 H1 PHE 1 1H PHE 1 -11.637 7.644 -0.278
2 H2 PHE 1 2H PHE 1 -11.095 7.165 1.210
3 H3 PHE 1 3H PHE 1 -10.259 8.298 0.350
4 HA PHE 1 HA PHE 1 -10.599 5.437 -0.465
5 HB2 PHE 1 2HB PHE 1 -8.927 7.640 -1.851
6 HB3 PHE 1 1HB PHE 1 -8.928 5.954 -2.270
7 HD1 PHE 1 HD1 PHE 1 -10.896 9.075 -2.413
8 HD2 PHE 1 HD2 PHE 1 -10.887 4.891 -3.438
9 HE1 PHE 1 HE1 PHE 1 -12.888 9.404 -3.810
10 HE2 PHE 1 HE2 PHE 1 -12.864 5.248 -4.859
11 HZ PHE 1 HZ PHE 1 -13.878 7.498 -5.035
12 H VAL 2 H VAL 2 -9.517 4.327 1.112
13 HA VAL 2 HA VAL 2 -6.641 5.202 1.735
14 HB VAL 2 HB VAL 2 -8.445 3.951 3.849
15 HG11 VAL 2 1HG1 VAL 2 -5.848 5.470 4.464
16 HG12 VAL 2 2HG1 VAL 2 -6.661 4.176 5.364
17 HG13 VAL 2 3HG1 VAL 2 -5.749 3.783 3.904
18 HG21 VAL 2 1HG2 VAL 2 -7.811 6.948 3.453
19 HG22 VAL 2 2HG2 VAL 2 -9.397 6.173 3.647
20 HG23 VAL 2 3HG2 VAL 2 -8.301 6.278 5.031
21 HA JKH 3 HA CAP 3 -6.594 0.736 0.228
22 HD2 JKH 3 1HD CAP 3 -7.265 4.117 -1.183
23 HD3 JKH 3 2HD CAP 3 -5.826 4.823 -0.423
24 HB3 JKH 3 2HB CAP 3 -4.982 0.963 -1.957
25 HB2 JKH 3 1HB CAP 3 -6.682 1.389 -2.009
26 HG JKH 3 HG CAP 3 -5.786 3.422 -2.861
27 HG22 JKH 3 1HG2 CAP 3 -3.734 4.403 -1.797
28 HG21 JKH 3 2HG2 CAP 3 -3.633 3.027 -0.839
29 HG23 JKH 3 3HG2 CAP 3 -3.447 2.918 -2.455
30 H TRP 4 H TRP 4 -5.656 1.161 2.458
31 HA TRP 4 HA TRP 4 -2.829 1.271 3.059
32 HB2 TRP 4 1HB TRP 4 -3.333 -0.138 5.076
33 HB3 TRP 4 2HB TRP 4 -4.292 1.301 4.903
34 HD1 TRP 4 HD1 TRP 4 -6.938 1.074 4.667
35 HE1 TRP 4 HE1 TRP 4 -8.724 -0.879 4.765
36 HE3 TRP 4 HE3 TRP 4 -3.594 -2.792 4.558
37 HZ2 TRP 4 HZ2 TRP 4 -8.511 -3.708 4.732
38 HZ3 TRP 4 HZ3 TRP 4 -4.453 -5.109 4.529
39 HH2 TRP 4 HH2 TRP 4 -6.871 -5.564 4.626
40 H PHE 5 H PHE 5 -4.607 -1.472 1.794
41 HA PHE 5 HA PHE 5 -2.588 -3.487 1.695
42 HB2 PHE 5 2HB PHE 5 -5.207 -3.092 0.546
43 HB3 PHE 5 1HB PHE 5 -4.216 -3.240 -0.855
44 HD1 PHE 5 HD1 PHE 5 -6.022 -5.055 1.582
45 HD2 PHE 5 HD2 PHE 5 -2.425 -5.313 -0.767
46 HE1 PHE 5 HE1 PHE 5 -5.974 -7.490 1.912
47 HE2 PHE 5 HE2 PHE 5 -2.382 -7.749 -0.415
48 HZ PHE 5 HZ PHE 5 -4.152 -8.842 0.926
49 H SER 6 H SER 6 -2.978 -0.872 -0.683
50 HA SER 6 HA SER 6 -0.439 -1.528 -2.173
51 HB2 SER 6 2HB SER 6 -2.407 0.828 -2.351
52 HB3 SER 6 1HB SER 6 -0.918 0.744 -3.302
53 HG SER 6 HG SER 6 -2.517 -0.194 -4.521
54 H LYS 7 H LYS 7 -1.338 0.811 0.365
55 HA LYS 7 HA LYS 7 1.213 2.329 0.447
56 HB2 LYS 7 2HB LYS 7 -0.702 1.731 2.781
57 HB3 LYS 7 1HB LYS 7 0.626 2.862 2.840
58 HG2 LYS 7 2HG LYS 7 -0.468 4.202 0.934
59 HG3 LYS 7 1HG LYS 7 -1.858 3.122 1.062
60 HD2 LYS 7 2HD LYS 7 -1.725 3.818 3.704
61 HD3 LYS 7 1HD LYS 7 -0.822 5.184 3.104
62 HE2 LYS 7 2HE LYS 7 -3.704 4.362 2.272
63 HE3 LYS 7 1HE LYS 7 -3.305 5.620 3.436
64 HZ1 LYS 7 1HZ LYS 7 -3.687 6.589 1.142
65 HZ2 LYS 7 2HZ LYS 7 -2.163 6.900 1.665
66 HZ3 LYS 7 3HZ LYS 7 -2.389 5.731 0.564
67 H PHE 8 H PHE 8 0.282 -0.739 1.975
68 HA PHE 8 HA PHE 8 3.034 -1.020 3.170
69 HB2 PHE 8 2HB PHE 8 0.976 -1.831 4.424
70 HB3 PHE 8 1HB PHE 8 0.719 -3.028 3.179
71 HD1 PHE 8 HD1 PHE 8 4.186 -2.148 4.562
72 HD2 PHE 8 HD2 PHE 8 0.911 -4.956 4.612
73 HE1 PHE 8 HE1 PHE 8 5.596 -3.774 5.685
74 HE2 PHE 8 HE2 PHE 8 2.348 -6.567 5.792
75 HZ PHE 8 HZ PHE 8 4.697 -5.988 6.312
76 H LEU 9 H LEU 9 1.138 -2.958 0.748
77 HA LEU 9 HA LEU 9 3.226 -4.678 -0.099
78 HB2 LEU 9 2HB LEU 9 0.694 -4.645 -0.678
79 HB3 LEU 9 1HB LEU 9 1.068 -3.540 -1.959
80 HG LEU 9 HG LEU 9 2.862 -5.911 -2.100
81 HD11 LEU 9 1HD1 LEU 9 1.264 -7.721 -2.439
82 HD12 LEU 9 2HD1 LEU 9 1.097 -7.068 -0.799
83 HD13 LEU 9 3HD1 LEU 9 -0.111 -6.653 -2.043
84 HD21 LEU 9 1HD2 LEU 9 2.414 -4.562 -4.104
85 HD22 LEU 9 2HD2 LEU 9 1.733 -6.174 -4.393
86 HD23 LEU 9 3HD2 LEU 9 0.656 -4.823 -3.979
87 H GLY 10 H GLY 10 2.696 -1.409 -1.443
88 HA2 GLY 10 1HA GLY 10 4.730 -1.149 -3.472
89 HA3 GLY 10 2HA GLY 10 4.310 0.109 -2.331
90 H ARG 11 H ARG 11 5.252 -0.989 0.024
91 HA ARG 11 HA ARG 11 8.260 -0.676 -0.152
92 HB2 ARG 11 2HB ARG 11 6.281 -1.095 2.176
93 HB3 ARG 11 1HB ARG 11 7.993 -1.174 2.438
94 HG2 ARG 11 2HG ARG 11 6.718 1.328 1.151
95 HG3 ARG 11 1HG ARG 11 6.738 1.060 2.874
96 HD2 ARG 11 2HD ARG 11 9.470 0.545 2.122
97 HD3 ARG 11 1HD ARG 11 8.995 1.822 0.998
98 HE ARG 11 HE ARG 11 8.052 2.691 3.586
99 HH11 ARG 11 1HH1 ARG 11 12.036 2.967 3.448
100 HH12 ARG 11 2HH1 ARG 11 11.157 1.917 2.235
101 HH21 ARG 11 1HH2 ARG 11 10.878 4.023 4.904
102 HH22 ARG 11 2HH2 ARG 11 9.065 3.871 4.945
103 H ILE 12 H ILE 12 5.989 -3.333 0.599
104 HA ILE 12 HA ILE 12 8.011 -5.393 1.205
105 HB ILE 12 HB ILE 12 5.272 -5.953 -0.052
106 HG12 ILE 12 2HG1 ILE 12 5.845 -5.629 2.962
107 HG13 ILE 12 1HG1 ILE 12 4.926 -4.530 1.984
108 HG21 ILE 12 1HG2 ILE 12 5.433 -8.191 1.000
109 HG22 ILE 12 2HG2 ILE 12 6.920 -7.941 0.097
110 HG23 ILE 12 3HG2 ILE 12 6.921 -7.749 1.865
111 HD11 ILE 12 1HD1 ILE 12 3.032 -5.645 2.509
112 HD12 ILE 12 2HD1 ILE 12 3.562 -7.030 1.549
113 HD13 ILE 12 3HD1 ILE 12 3.958 -6.953 3.280
114 H LEU 13 H LEU 13 6.534 -4.467 -1.896
115 HA LEU 13 HA LEU 13 7.915 -6.365 -3.651
116 HB2 LEU 13 2HB LEU 13 6.575 -3.624 -3.989
117 HB3 LEU 13 1HB LEU 13 7.472 -4.245 -5.317
118 HG LEU 13 HG LEU 13 4.913 -4.602 -5.214
119 HD11 LEU 13 1HD1 LEU 13 6.593 -7.079 -5.951
120 HD12 LEU 13 2HD1 LEU 13 5.019 -6.588 -6.628
121 HD13 LEU 13 3HD1 LEU 13 6.465 -5.616 -6.960
122 HD21 LEU 13 1HD2 LEU 13 4.040 -6.702 -4.244
123 HD22 LEU 13 2HD2 LEU 13 5.638 -7.141 -3.601
124 HD23 LEU 13 3HD2 LEU 13 4.789 -5.740 -2.956
125 HN1 NH2 14 1HN NH2 14 10.766 -3.446 -3.309
126 HN2 NH2 14 2HN NH2 14 9.052 -3.017 -2.798
Start of MODEL 3
1 H1 PHE 1 1H PHE 1 -11.274 8.008 -0.593
2 H2 PHE 1 2H PHE 1 -10.711 7.806 0.954
3 H3 PHE 1 3H PHE 1 -9.768 8.540 -0.173
4 HA PHE 1 HA PHE 1 -10.584 5.689 -0.293
5 HB2 PHE 1 2HB PHE 1 -9.054 5.453 -2.192
6 HB3 PHE 1 1HB PHE 1 -10.345 6.541 -2.556
7 HD1 PHE 1 HD1 PHE 1 -9.887 9.029 -2.816
8 HD2 PHE 1 HD2 PHE 1 -6.666 6.253 -2.157
9 HE1 PHE 1 HE1 PHE 1 -8.251 10.771 -3.384
10 HE2 PHE 1 HE2 PHE 1 -5.045 8.007 -2.742
11 HZ PHE 1 HZ PHE 1 -5.832 10.270 -3.340
12 H VAL 2 H VAL 2 -9.400 4.364 1.023
13 HA VAL 2 HA VAL 2 -6.536 5.189 1.721
14 HB VAL 2 HB VAL 2 -8.376 4.025 3.852
15 HG11 VAL 2 1HG1 VAL 2 -5.472 4.172 3.713
16 HG12 VAL 2 2HG1 VAL 2 -5.970 5.373 4.914
17 HG13 VAL 2 3HG1 VAL 2 -6.489 3.691 5.075
18 HG21 VAL 2 1HG2 VAL 2 -7.635 6.982 3.412
19 HG22 VAL 2 2HG2 VAL 2 -9.241 6.258 3.644
20 HG23 VAL 2 3HG2 VAL 2 -8.121 6.354 5.008
21 HA JKH 3 HA CAP 3 -6.586 0.725 0.221
22 HD2 JKH 3 1HD CAP 3 -7.115 4.137 -1.166
23 HD3 JKH 3 2HD CAP 3 -5.666 4.788 -0.370
24 HB3 JKH 3 2HB CAP 3 -4.928 0.923 -1.935
25 HB2 JKH 3 1HB CAP 3 -6.611 1.410 -2.012
26 HG JKH 3 HG CAP 3 -5.621 3.417 -2.823
27 HG22 JKH 3 1HG2 CAP 3 -3.561 4.325 -1.689
28 HG21 JKH 3 2HG2 CAP 3 -3.524 2.947 -0.751
29 HG23 JKH 3 3HG2 CAP 3 -3.300 2.839 -2.366
30 H TRP 4 H TRP 4 -5.652 1.138 2.479
31 HA TRP 4 HA TRP 4 -2.834 1.101 3.126
32 HB2 TRP 4 1HB TRP 4 -3.432 -0.291 5.116
33 HB3 TRP 4 2HB TRP 4 -4.334 1.184 4.932
34 HD1 TRP 4 HD1 TRP 4 -6.984 1.058 4.654
35 HE1 TRP 4 HE1 TRP 4 -8.841 -0.828 4.719
36 HE3 TRP 4 HE3 TRP 4 -3.782 -2.925 4.571
37 HZ2 TRP 4 HZ2 TRP 4 -8.731 -3.664 4.676
38 HZ3 TRP 4 HZ3 TRP 4 -4.723 -5.210 4.514
39 HH2 TRP 4 HH2 TRP 4 -7.157 -5.578 4.579
40 H PHE 5 H PHE 5 -4.701 -1.562 1.821
41 HA PHE 5 HA PHE 5 -2.751 -3.646 1.716
42 HB2 PHE 5 2HB PHE 5 -5.340 -3.092 0.480
43 HB3 PHE 5 1HB PHE 5 -4.305 -3.401 -0.857
44 HD1 PHE 5 HD1 PHE 5 -2.591 -5.563 -0.423
45 HD2 PHE 5 HD2 PHE 5 -6.444 -4.966 1.401
46 HE1 PHE 5 HE1 PHE 5 -2.756 -7.973 0.040
47 HE2 PHE 5 HE2 PHE 5 -6.604 -7.379 1.834
48 HZ PHE 5 HZ PHE 5 -4.758 -8.888 1.169
49 H SER 6 H SER 6 -3.009 -0.965 -0.578
50 HA SER 6 HA SER 6 -0.497 -1.790 -2.057
51 HB2 SER 6 2HB SER 6 -2.715 -0.537 -3.071
52 HB3 SER 6 1HB SER 6 -1.834 0.901 -2.567
53 HG SER 6 HG SER 6 -0.840 -1.209 -4.213
54 H LYS 7 H LYS 7 -1.459 0.679 0.298
55 HA LYS 7 HA LYS 7 1.022 2.231 0.409
56 HB2 LYS 7 2HB LYS 7 -1.457 2.292 1.825
57 HB3 LYS 7 1HB LYS 7 -0.365 1.740 3.056
58 HG2 LYS 7 2HG LYS 7 1.137 3.872 2.140
59 HG3 LYS 7 1HG LYS 7 -0.413 4.364 1.495
60 HD2 LYS 7 2HD LYS 7 -1.089 3.698 4.203
61 HD3 LYS 7 1HD LYS 7 0.583 4.139 4.352
62 HE2 LYS 7 2HE LYS 7 -0.502 6.203 4.767
63 HE3 LYS 7 1HE LYS 7 0.020 6.388 3.096
64 HZ1 LYS 7 1HZ LYS 7 -2.395 6.965 3.307
65 HZ2 LYS 7 2HZ LYS 7 -2.284 5.583 2.414
66 HZ3 LYS 7 3HZ LYS 7 -2.739 5.506 3.985
67 H PHE 8 H PHE 8 0.229 -0.827 2.000
68 HA PHE 8 HA PHE 8 2.993 -1.001 3.195
69 HB2 PHE 8 2HB PHE 8 0.951 -1.856 4.467
70 HB3 PHE 8 1HB PHE 8 0.738 -3.082 3.243
71 HD1 PHE 8 HD1 PHE 8 4.139 -2.031 4.675
72 HD2 PHE 8 HD2 PHE 8 1.015 -5.005 4.659
73 HE1 PHE 8 HE1 PHE 8 5.604 -3.579 5.843
74 HE2 PHE 8 HE2 PHE 8 2.501 -6.533 5.885
75 HZ PHE 8 HZ PHE 8 4.803 -5.833 6.461
76 H LEU 9 H LEU 9 1.140 -3.074 0.855
77 HA LEU 9 HA LEU 9 3.278 -4.711 0.005
78 HB2 LEU 9 2HB LEU 9 0.730 -4.780 -0.564
79 HB3 LEU 9 1HB LEU 9 1.077 -3.715 -1.886
80 HG LEU 9 HG LEU 9 2.966 -6.000 -1.933
81 HD11 LEU 9 1HD1 LEU 9 0.118 -7.068 -2.107
82 HD12 LEU 9 2HD1 LEU 9 1.668 -7.934 -1.958
83 HD13 LEU 9 3HD1 LEU 9 1.009 -7.065 -0.565
84 HD21 LEU 9 1HD2 LEU 9 0.696 -5.140 -3.849
85 HD22 LEU 9 2HD2 LEU 9 2.426 -4.741 -3.981
86 HD23 LEU 9 3HD2 LEU 9 1.879 -6.414 -4.212
87 H GLY 10 H GLY 10 2.607 -1.505 -1.420
88 HA2 GLY 10 1HA GLY 10 4.589 -1.221 -3.494
89 HA3 GLY 10 2HA GLY 10 4.137 0.047 -2.378
90 H ARG 11 H ARG 11 5.165 -0.950 -0.015
91 HA ARG 11 HA ARG 11 8.155 -0.503 -0.263
92 HB2 ARG 11 2HB ARG 11 6.244 -0.933 2.119
93 HB3 ARG 11 1HB ARG 11 7.965 -0.905 2.341
94 HG2 ARG 11 2HG ARG 11 6.568 1.468 0.936
95 HG3 ARG 11 1HG ARG 11 6.519 1.290 2.662
96 HD2 ARG 11 2HD ARG 11 9.349 0.917 2.007
97 HD3 ARG 11 1HD ARG 11 8.799 2.116 0.878
98 HE ARG 11 HE ARG 11 8.589 3.709 2.677
99 HH11 ARG 11 1HH1 ARG 11 8.691 1.155 5.767
100 HH12 ARG 11 2HH1 ARG 11 8.647 0.529 4.046
101 HH21 ARG 11 1HH2 ARG 11 8.668 3.276 6.052
102 HH22 ARG 11 2HH2 ARG 11 8.624 4.417 4.633
103 H ILE 12 H ILE 12 6.017 -3.230 0.599
104 HA ILE 12 HA ILE 12 8.145 -5.181 1.234
105 HB ILE 12 HB ILE 12 5.411 -5.894 0.046
106 HG12 ILE 12 2HG1 ILE 12 6.021 -5.474 3.043
107 HG13 ILE 12 1HG1 ILE 12 5.039 -4.436 2.059
108 HG21 ILE 12 1HG2 ILE 12 5.697 -8.094 1.149
109 HG22 ILE 12 2HG2 ILE 12 7.158 -7.798 0.219
110 HG23 ILE 12 3HG2 ILE 12 7.172 -7.560 1.981
111 HD11 ILE 12 1HD1 ILE 12 4.188 -6.847 3.438
112 HD12 ILE 12 2HD1 ILE 12 3.198 -5.621 2.613
113 HD13 ILE 12 3HD1 ILE 12 3.792 -7.022 1.714
114 H LEU 13 H LEU 13 6.601 -4.348 -1.855
115 HA LEU 13 HA LEU 13 8.002 -6.265 -3.577
116 HB2 LEU 13 2HB LEU 13 6.485 -3.626 -3.972
117 HB3 LEU 13 1HB LEU 13 7.390 -4.224 -5.308
118 HG LEU 13 HG LEU 13 4.860 -4.771 -5.099
119 HD11 LEU 13 1HD1 LEU 13 5.488 -7.281 -6.092
120 HD12 LEU 13 2HD1 LEU 13 5.672 -5.773 -6.997
121 HD13 LEU 13 3HD1 LEU 13 7.079 -6.505 -6.193
122 HD21 LEU 13 1HD2 LEU 13 5.815 -7.186 -3.440
123 HD22 LEU 13 2HD2 LEU 13 4.904 -5.813 -2.808
124 HD23 LEU 13 3HD2 LEU 13 4.172 -6.863 -4.034
125 HN1 NH2 14 1HN NH2 14 10.674 -3.150 -3.716
126 HN2 NH2 14 2HN NH2 14 8.904 -2.719 -3.421
Start of MODEL 4
1 H1 PHE 1 1H PHE 1 -11.982 6.569 -0.178
2 H2 PHE 1 2H PHE 1 -11.280 5.411 0.761
3 H3 PHE 1 3H PHE 1 -11.225 6.991 1.223
4 HA PHE 1 HA PHE 1 -9.866 5.881 -1.216
5 HB2 PHE 1 2HB PHE 1 -9.929 8.769 -0.101
6 HB3 PHE 1 1HB PHE 1 -8.868 8.228 -1.358
7 HD1 PHE 1 HD1 PHE 1 -9.618 7.927 -3.669
8 HD2 PHE 1 HD2 PHE 1 -12.468 8.833 -0.569
9 HE1 PHE 1 HE1 PHE 1 -11.355 8.331 -5.365
10 HE2 PHE 1 HE2 PHE 1 -14.200 9.175 -2.271
11 HZ PHE 1 HZ PHE 1 -13.652 8.937 -4.671
12 H VAL 2 H VAL 2 -9.278 4.372 0.869
13 HA VAL 2 HA VAL 2 -6.506 5.291 1.710
14 HB VAL 2 HB VAL 2 -8.384 4.051 3.782
15 HG11 VAL 2 1HG1 VAL 2 -6.619 4.450 5.382
16 HG12 VAL 2 2HG1 VAL 2 -5.791 3.732 3.993
17 HG13 VAL 2 3HG1 VAL 2 -5.692 5.487 4.274
18 HG21 VAL 2 1HG2 VAL 2 -9.296 6.297 3.564
19 HG22 VAL 2 2HG2 VAL 2 -8.244 6.364 4.983
20 HG23 VAL 2 3HG2 VAL 2 -7.690 7.042 3.430
21 HA JKH 3 HA CAP 3 -6.532 0.837 0.146
22 HD2 JKH 3 1HD CAP 3 -7.105 4.255 -1.228
23 HD3 JKH 3 2HD CAP 3 -5.676 4.921 -0.413
24 HB3 JKH 3 2HB CAP 3 -4.860 1.077 -1.996
25 HB2 JKH 3 1HB CAP 3 -6.550 1.536 -2.082
26 HG JKH 3 HG CAP 3 -5.582 3.565 -2.872
27 HG22 JKH 3 1HG2 CAP 3 -3.567 4.514 -1.695
28 HG21 JKH 3 2HG2 CAP 3 -3.509 3.136 -0.767
29 HG23 JKH 3 3HG2 CAP 3 -3.253 3.041 -2.382
30 H TRP 4 H TRP 4 -5.625 1.258 2.416
31 HA TRP 4 HA TRP 4 -2.813 1.267 3.081
32 HB2 TRP 4 1HB TRP 4 -3.402 -0.139 5.070
33 HB3 TRP 4 2HB TRP 4 -4.329 1.320 4.882
34 HD1 TRP 4 HD1 TRP 4 -6.974 1.145 4.595
35 HE1 TRP 4 HE1 TRP 4 -8.798 -0.775 4.648
36 HE3 TRP 4 HE3 TRP 4 -3.701 -2.781 4.517
37 HZ2 TRP 4 HZ2 TRP 4 -8.636 -3.608 4.600
38 HZ3 TRP 4 HZ3 TRP 4 -4.601 -5.082 4.454
39 HH2 TRP 4 HH2 TRP 4 -7.029 -5.494 4.507
40 H PHE 5 H PHE 5 -4.627 -1.416 1.750
41 HA PHE 5 HA PHE 5 -2.642 -3.469 1.658
42 HB2 PHE 5 2HB PHE 5 -5.242 -3.011 0.478
43 HB3 PHE 5 1HB PHE 5 -4.233 -3.187 -0.906
44 HD1 PHE 5 HD1 PHE 5 -2.433 -5.291 -0.692
45 HD2 PHE 5 HD2 PHE 5 -6.181 -4.967 1.400
46 HE1 PHE 5 HE1 PHE 5 -2.457 -7.725 -0.339
47 HE2 PHE 5 HE2 PHE 5 -6.202 -7.403 1.724
48 HZ PHE 5 HZ PHE 5 -4.338 -8.787 0.869
49 H SER 6 H SER 6 -2.944 -0.804 -0.670
50 HA SER 6 HA SER 6 -0.429 -1.541 -2.182
51 HB2 SER 6 2HB SER 6 -2.439 -0.413 -3.297
52 HB3 SER 6 1HB SER 6 -2.109 1.038 -2.345
53 HG SER 6 HG SER 6 0.118 0.861 -3.302
54 H LYS 7 H LYS 7 -1.352 0.803 0.321
55 HA LYS 7 HA LYS 7 1.161 2.325 0.466
56 HB2 LYS 7 2HB LYS 7 -1.356 2.484 1.743
57 HB3 LYS 7 1HB LYS 7 -0.382 1.832 3.034
58 HG2 LYS 7 2HG LYS 7 1.231 3.765 2.788
59 HG3 LYS 7 1HG LYS 7 0.284 4.409 1.454
60 HD2 LYS 7 2HD LYS 7 -1.533 5.090 2.788
61 HD3 LYS 7 1HD LYS 7 -1.290 3.846 4.007
62 HE2 LYS 7 2HE LYS 7 0.811 5.035 4.831
63 HE3 LYS 7 1HE LYS 7 0.542 6.327 3.656
64 HZ1 LYS 7 1HZ LYS 7 -0.489 6.864 5.878
65 HZ2 LYS 7 2HZ LYS 7 -1.672 6.762 4.741
66 HZ3 LYS 7 3HZ LYS 7 -1.444 5.532 5.802
67 H PHE 8 H PHE 8 0.271 -0.751 1.972
68 HA PHE 8 HA PHE 8 3.027 -1.024 3.181
69 HB2 PHE 8 2HB PHE 8 0.965 -1.845 4.435
70 HB3 PHE 8 1HB PHE 8 0.710 -3.035 3.183
71 HD1 PHE 8 HD1 PHE 8 4.159 -2.151 4.608
72 HD2 PHE 8 HD2 PHE 8 0.906 -4.984 4.582
73 HE1 PHE 8 HE1 PHE 8 5.563 -3.778 5.742
74 HE2 PHE 8 HE2 PHE 8 2.334 -6.594 5.772
75 HZ PHE 8 HZ PHE 8 4.670 -6.003 6.336
76 H LEU 9 H LEU 9 1.119 -2.972 0.769
77 HA LEU 9 HA LEU 9 3.206 -4.686 -0.082
78 HB2 LEU 9 2HB LEU 9 0.670 -4.658 -0.665
79 HB3 LEU 9 1HB LEU 9 1.050 -3.564 -1.955
80 HG LEU 9 HG LEU 9 2.853 -5.922 -2.074
81 HD11 LEU 9 1HD1 LEU 9 1.338 -7.770 -2.328
82 HD12 LEU 9 2HD1 LEU 9 1.023 -7.038 -0.745
83 HD13 LEU 9 3HD1 LEU 9 -0.099 -6.738 -2.097
84 HD21 LEU 9 1HD2 LEU 9 1.759 -6.215 -4.364
85 HD22 LEU 9 2HD2 LEU 9 0.616 -4.916 -3.962
86 HD23 LEU 9 3HD2 LEU 9 2.359 -4.569 -4.083
87 H GLY 10 H GLY 10 2.672 -1.426 -1.434
88 HA2 GLY 10 1HA GLY 10 4.695 -1.170 -3.476
89 HA3 GLY 10 2HA GLY 10 4.273 0.091 -2.341
90 H ARG 11 H ARG 11 5.229 -1.004 0.019
91 HA ARG 11 HA ARG 11 8.234 -0.670 -0.173
92 HB2 ARG 11 2HB ARG 11 6.273 -1.106 2.166
93 HB3 ARG 11 1HB ARG 11 7.987 -1.176 2.416
94 HG2 ARG 11 2HG ARG 11 6.681 1.325 1.156
95 HG3 ARG 11 1HG ARG 11 6.731 1.043 2.880
96 HD2 ARG 11 2HD ARG 11 9.445 0.566 2.177
97 HD3 ARG 11 1HD ARG 11 8.983 1.753 0.949
98 HE ARG 11 HE ARG 11 8.005 2.747 3.510
99 HH11 ARG 11 1HH1 ARG 11 11.958 3.241 3.199
100 HH12 ARG 11 2HH1 ARG 11 11.097 2.079 2.079
101 HH21 ARG 11 1HH2 ARG 11 10.795 4.303 4.647
102 HH22 ARG 11 2HH2 ARG 11 8.996 4.051 4.768
103 H ILE 12 H ILE 12 5.984 -3.339 0.598
104 HA ILE 12 HA ILE 12 8.018 -5.390 1.189
105 HB ILE 12 HB ILE 12 5.272 -5.960 -0.048
106 HG12 ILE 12 2HG1 ILE 12 5.866 -5.644 2.964
107 HG13 ILE 12 1HG1 ILE 12 4.942 -4.538 1.998
108 HG21 ILE 12 1HG2 ILE 12 6.925 -7.942 0.084
109 HG22 ILE 12 2HG2 ILE 12 6.948 -7.750 1.851
110 HG23 ILE 12 3HG2 ILE 12 5.451 -8.198 1.006
111 HD11 ILE 12 1HD1 ILE 12 3.046 -5.655 2.507
112 HD12 ILE 12 2HD1 ILE 12 3.584 -7.051 1.565
113 HD13 ILE 12 3HD1 ILE 12 3.973 -6.952 3.297
114 H LEU 13 H LEU 13 6.511 -4.473 -1.900
115 HA LEU 13 HA LEU 13 7.899 -6.353 -3.666
116 HB2 LEU 13 2HB LEU 13 6.520 -3.630 -3.992
117 HB3 LEU 13 1HB LEU 13 7.415 -4.237 -5.330
118 HG LEU 13 HG LEU 13 4.854 -4.656 -5.179
119 HD11 LEU 13 1HD1 LEU 13 5.392 -7.186 -6.220
120 HD12 LEU 13 2HD1 LEU 13 5.602 -5.663 -7.092
121 HD13 LEU 13 3HD1 LEU 13 6.998 -6.442 -6.314
122 HD21 LEU 13 1HD2 LEU 13 4.038 -6.747 -4.198
123 HD22 LEU 13 2HD2 LEU 13 5.651 -7.167 -3.581
124 HD23 LEU 13 3HD2 LEU 13 4.794 -5.771 -2.927
125 HN1 NH2 14 1HN NH2 14 10.770 -3.493 -3.246
126 HN2 NH2 14 2HN NH2 14 9.087 -3.105 -2.622
Start of MODEL 5
1 H1 PHE 1 1H PHE 1 -11.358 7.888 -0.264
2 H2 PHE 1 2H PHE 1 -10.842 7.353 1.215
3 H3 PHE 1 3H PHE 1 -9.970 8.489 0.399
4 HA PHE 1 HA PHE 1 -10.361 5.664 -0.507
5 HB2 PHE 1 2HB PHE 1 -8.684 7.925 -1.798
6 HB3 PHE 1 1HB PHE 1 -8.582 6.248 -2.233
7 HD1 PHE 1 HD1 PHE 1 -10.265 5.174 -3.671
8 HD2 PHE 1 HD2 PHE 1 -10.871 9.197 -2.255
9 HE1 PHE 1 HE1 PHE 1 -12.186 5.432 -5.185
10 HE2 PHE 1 HE2 PHE 1 -12.816 9.416 -3.733
11 HZ PHE 1 HZ PHE 1 -13.478 7.542 -5.205
12 H VAL 2 H VAL 2 -9.296 4.449 0.985
13 HA VAL 2 HA VAL 2 -6.424 5.239 1.694
14 HB VAL 2 HB VAL 2 -8.309 4.077 3.794
15 HG11 VAL 2 1HG1 VAL 2 -5.588 3.826 3.843
16 HG12 VAL 2 2HG1 VAL 2 -5.670 5.477 4.484
17 HG13 VAL 2 3HG1 VAL 2 -6.521 4.154 5.309
18 HG21 VAL 2 1HG2 VAL 2 -7.457 7.036 3.494
19 HG22 VAL 2 2HG2 VAL 2 -9.110 6.386 3.507
20 HG23 VAL 2 3HG2 VAL 2 -8.147 6.348 4.989
21 HA JKH 3 HA CAP 3 -6.586 0.763 0.195
22 HD2 JKH 3 1HD CAP 3 -7.056 4.179 -1.218
23 HD3 JKH 3 2HD CAP 3 -5.599 4.809 -0.423
24 HB3 JKH 3 2HB CAP 3 -4.923 0.918 -1.962
25 HB2 JKH 3 1HB CAP 3 -6.597 1.433 -2.041
26 HG JKH 3 HG CAP 3 -5.567 3.418 -2.864
27 HG22 JKH 3 1HG2 CAP 3 -3.509 4.310 -1.717
28 HG21 JKH 3 2HG2 CAP 3 -3.495 2.943 -0.769
29 HG23 JKH 3 3HG2 CAP 3 -3.254 2.815 -2.381
30 H TRP 4 H TRP 4 -5.637 1.171 2.454
31 HA TRP 4 HA TRP 4 -2.824 1.095 3.089
32 HB2 TRP 4 1HB TRP 4 -3.426 -0.274 5.093
33 HB3 TRP 4 2HB TRP 4 -4.307 1.213 4.901
34 HD1 TRP 4 HD1 TRP 4 -6.960 1.124 4.634
35 HE1 TRP 4 HE1 TRP 4 -8.844 -0.735 4.719
36 HE3 TRP 4 HE3 TRP 4 -3.816 -2.905 4.575
37 HZ2 TRP 4 HZ2 TRP 4 -8.774 -3.573 4.706
38 HZ3 TRP 4 HZ3 TRP 4 -4.790 -5.176 4.544
39 HH2 TRP 4 HH2 TRP 4 -7.227 -5.509 4.624
40 H PHE 5 H PHE 5 -4.715 -1.571 1.807
41 HA PHE 5 HA PHE 5 -2.754 -3.647 1.705
42 HB2 PHE 5 2HB PHE 5 -5.285 -2.949 0.221
43 HB3 PHE 5 1HB PHE 5 -4.179 -3.717 -0.847
44 HD1 PHE 5 HD1 PHE 5 -6.879 -4.546 1.006
45 HD2 PHE 5 HD2 PHE 5 -2.788 -5.809 0.558
46 HE1 PHE 5 HE1 PHE 5 -7.470 -6.790 1.820
47 HE2 PHE 5 HE2 PHE 5 -3.386 -8.030 1.415
48 HZ PHE 5 HZ PHE 5 -5.725 -8.530 2.046
49 H SER 6 H SER 6 -3.039 -1.034 -0.666
50 HA SER 6 HA SER 6 -0.482 -1.828 -2.095
51 HB2 SER 6 2HB SER 6 -2.381 0.570 -2.474
52 HB3 SER 6 1HB SER 6 -0.902 0.337 -3.407
53 HG SER 6 HG SER 6 -1.765 -1.744 -4.040
54 H LYS 7 H LYS 7 -1.495 0.645 0.253
55 HA LYS 7 HA LYS 7 0.982 2.201 0.354
56 HB2 LYS 7 2HB LYS 7 -1.511 2.298 1.720
57 HB3 LYS 7 1HB LYS 7 -0.445 1.780 2.997
58 HG2 LYS 7 2HG LYS 7 1.087 3.837 2.302
59 HG3 LYS 7 1HG LYS 7 -0.213 4.283 1.222
60 HD2 LYS 7 2HD LYS 7 -0.790 5.585 3.011
61 HD3 LYS 7 1HD LYS 7 -1.805 4.204 3.372
62 HE2 LYS 7 2HE LYS 7 -0.343 3.403 5.162
63 HE3 LYS 7 1HE LYS 7 1.043 4.320 4.582
64 HZ1 LYS 7 1HZ LYS 7 0.015 5.503 6.493
65 HZ2 LYS 7 2HZ LYS 7 -0.160 6.426 5.150
66 HZ3 LYS 7 3HZ LYS 7 -1.444 5.596 5.736
67 H PHE 8 H PHE 8 0.206 -0.841 1.973
68 HA PHE 8 HA PHE 8 2.969 -0.982 3.179
69 HB2 PHE 8 2HB PHE 8 0.925 -1.847 4.444
70 HB3 PHE 8 1HB PHE 8 0.732 -3.082 3.227
71 HD1 PHE 8 HD1 PHE 8 4.109 -1.987 4.682
72 HD2 PHE 8 HD2 PHE 8 1.018 -4.996 4.654
73 HE1 PHE 8 HE1 PHE 8 5.579 -3.511 5.872
74 HE2 PHE 8 HE2 PHE 8 2.510 -6.500 5.904
75 HZ PHE 8 HZ PHE 8 4.798 -5.770 6.497
76 H LEU 9 H LEU 9 1.152 -3.104 0.855
77 HA LEU 9 HA LEU 9 3.313 -4.726 0.023
78 HB2 LEU 9 2HB LEU 9 0.774 -4.834 -0.525
79 HB3 LEU 9 1HB LEU 9 1.085 -3.758 -1.846
80 HG LEU 9 HG LEU 9 2.990 -6.034 -1.961
81 HD11 LEU 9 1HD1 LEU 9 0.069 -6.861 -1.565
82 HD12 LEU 9 2HD1 LEU 9 1.298 -7.889 -2.346
83 HD13 LEU 9 3HD1 LEU 9 1.513 -7.384 -0.661
84 HD21 LEU 9 1HD2 LEU 9 0.694 -5.129 -3.820
85 HD22 LEU 9 2HD2 LEU 9 2.433 -4.769 -3.979
86 HD23 LEU 9 3HD2 LEU 9 1.847 -6.424 -4.213
87 H GLY 10 H GLY 10 2.607 -1.538 -1.426
88 HA2 GLY 10 1HA GLY 10 4.597 -1.250 -3.495
89 HA3 GLY 10 2HA GLY 10 4.122 0.025 -2.397
90 H ARG 11 H ARG 11 5.156 -0.950 -0.014
91 HA ARG 11 HA ARG 11 8.142 -0.471 -0.246
92 HB2 ARG 11 2HB ARG 11 6.232 -0.942 2.130
93 HB3 ARG 11 1HB ARG 11 7.952 -0.907 2.359
94 HG2 ARG 11 2HG ARG 11 6.495 1.471 1.041
95 HG3 ARG 11 1HG ARG 11 6.564 1.249 2.772
96 HD2 ARG 11 2HD ARG 11 9.286 0.944 2.190
97 HD3 ARG 11 1HD ARG 11 8.858 1.953 0.839
98 HE ARG 11 HE ARG 11 8.914 2.690 3.760
99 HH11 ARG 11 1HH1 ARG 11 7.226 5.372 1.323
100 HH12 ARG 11 2HH1 ARG 11 7.578 3.676 0.723
101 HH21 ARG 11 1HH2 ARG 11 7.741 5.843 3.355
102 HH22 ARG 11 2HH2 ARG 11 8.510 4.593 4.433
103 H ILE 12 H ILE 12 6.024 -3.215 0.621
104 HA ILE 12 HA ILE 12 8.163 -5.143 1.265
105 HB ILE 12 HB ILE 12 5.438 -5.889 0.076
106 HG12 ILE 12 2HG1 ILE 12 6.034 -5.432 3.070
107 HG13 ILE 12 1HG1 ILE 12 5.047 -4.413 2.072
108 HG21 ILE 12 1HG2 ILE 12 7.204 -7.522 2.035
109 HG22 ILE 12 2HG2 ILE 12 5.737 -8.076 1.200
110 HG23 ILE 12 3HG2 ILE 12 7.201 -7.777 0.276
111 HD11 ILE 12 1HD1 ILE 12 4.210 -6.814 3.475
112 HD12 ILE 12 2HD1 ILE 12 3.213 -5.608 2.629
113 HD13 ILE 12 3HD1 ILE 12 3.824 -7.015 1.752
114 H LEU 13 H LEU 13 6.618 -4.358 -1.835
115 HA LEU 13 HA LEU 13 8.045 -6.271 -3.541
116 HB2 LEU 13 2HB LEU 13 6.509 -3.646 -3.954
117 HB3 LEU 13 1HB LEU 13 7.426 -4.241 -5.282
118 HG LEU 13 HG LEU 13 4.906 -4.802 -5.094
119 HD11 LEU 13 1HD1 LEU 13 5.590 -5.904 -6.957
120 HD12 LEU 13 2HD1 LEU 13 7.137 -6.414 -6.248
121 HD13 LEU 13 3HD1 LEU 13 5.677 -7.380 -5.987
122 HD21 LEU 13 1HD2 LEU 13 4.934 -5.822 -2.791
123 HD22 LEU 13 2HD2 LEU 13 4.203 -6.878 -4.012
124 HD23 LEU 13 3HD2 LEU 13 5.843 -7.202 -3.405
125 HN1 NH2 14 1HN NH2 14 10.691 -3.131 -3.640
126 HN2 NH2 14 2HN NH2 14 8.920 -2.722 -3.324
Start of MODEL 6
1 H1 PHE 1 1H PHE 1 -11.160 8.026 -0.669
2 H2 PHE 1 2H PHE 1 -10.669 7.818 0.899
3 H3 PHE 1 3H PHE 1 -9.649 8.502 -0.197
4 HA PHE 1 HA PHE 1 -10.603 5.671 -0.280
5 HB2 PHE 1 2HB PHE 1 -8.609 7.124 -2.161
6 HB3 PHE 1 1HB PHE 1 -8.877 5.407 -2.136
7 HD1 PHE 1 HD1 PHE 1 -10.365 8.637 -3.125
8 HD2 PHE 1 HD2 PHE 1 -10.997 4.378 -2.981
9 HE1 PHE 1 HE1 PHE 1 -12.324 8.868 -4.589
10 HE2 PHE 1 HE2 PHE 1 -12.937 4.627 -4.472
11 HZ PHE 1 HZ PHE 1 -13.615 6.870 -5.266
12 H VAL 2 H VAL 2 -9.442 4.363 1.046
13 HA VAL 2 HA VAL 2 -6.571 5.163 1.789
14 HB VAL 2 HB VAL 2 -8.466 3.892 3.815
15 HG11 VAL 2 1HG1 VAL 2 -6.712 4.270 5.438
16 HG12 VAL 2 2HG1 VAL 2 -5.896 3.532 4.053
17 HG13 VAL 2 3HG1 VAL 2 -5.757 5.285 4.333
18 HG21 VAL 2 1HG2 VAL 2 -7.909 6.876 3.358
19 HG22 VAL 2 2HG2 VAL 2 -9.419 6.059 3.813
20 HG23 VAL 2 3HG2 VAL 2 -8.145 6.290 5.019
21 HA JKH 3 HA CAP 3 -6.535 0.737 0.157
22 HD2 JKH 3 1HD CAP 3 -7.060 4.178 -1.171
23 HD3 JKH 3 2HD CAP 3 -5.655 4.828 -0.303
24 HB3 JKH 3 2HB CAP 3 -4.806 1.010 -1.935
25 HB2 JKH 3 1HB CAP 3 -6.491 1.477 -2.059
26 HG JKH 3 HG CAP 3 -5.494 3.516 -2.784
27 HG22 JKH 3 1HG2 CAP 3 -3.510 4.438 -1.537
28 HG21 JKH 3 2HG2 CAP 3 -3.481 3.045 -0.630
29 HG23 JKH 3 3HG2 CAP 3 -3.178 2.975 -2.237
30 H TRP 4 H TRP 4 -5.672 1.123 2.462
31 HA TRP 4 HA TRP 4 -2.875 1.107 3.184
32 HB2 TRP 4 1HB TRP 4 -3.507 -0.341 5.130
33 HB3 TRP 4 2HB TRP 4 -4.405 1.136 4.957
34 HD1 TRP 4 HD1 TRP 4 -7.044 1.019 4.630
35 HE1 TRP 4 HE1 TRP 4 -8.905 -0.863 4.607
36 HE3 TRP 4 HE3 TRP 4 -3.848 -2.968 4.509
37 HZ2 TRP 4 HZ2 TRP 4 -8.799 -3.698 4.492
38 HZ3 TRP 4 HZ3 TRP 4 -4.791 -5.248 4.374
39 HH2 TRP 4 HH2 TRP 4 -7.227 -5.612 4.377
40 H PHE 5 H PHE 5 -4.663 -1.550 1.772
41 HA PHE 5 HA PHE 5 -2.676 -3.611 1.712
42 HB2 PHE 5 2HB PHE 5 -5.265 -3.278 0.644
43 HB3 PHE 5 1HB PHE 5 -4.352 -3.189 -0.818
44 HD1 PHE 5 HD1 PHE 5 -2.474 -5.175 -1.105
45 HD2 PHE 5 HD2 PHE 5 -5.898 -5.374 1.497
46 HE1 PHE 5 HE1 PHE 5 -2.284 -7.627 -1.024
47 HE2 PHE 5 HE2 PHE 5 -5.703 -7.823 1.553
48 HZ PHE 5 HZ PHE 5 -3.890 -8.955 0.307
49 H SER 6 H SER 6 -2.982 -0.951 -0.618
50 HA SER 6 HA SER 6 -0.456 -1.668 -2.119
51 HB2 SER 6 2HB SER 6 -2.579 -0.564 -3.189
52 HB3 SER 6 1HB SER 6 -2.106 0.916 -2.351
53 HG SER 6 HG SER 6 -0.813 -0.462 -4.436
54 H LYS 7 H LYS 7 -1.446 0.738 0.309
55 HA LYS 7 HA LYS 7 1.034 2.278 0.481
56 HB2 LYS 7 2HB LYS 7 -1.489 2.268 1.876
57 HB3 LYS 7 1HB LYS 7 -0.382 1.808 3.109
58 HG2 LYS 7 2HG LYS 7 0.886 4.087 1.820
59 HG3 LYS 7 1HG LYS 7 -0.818 4.414 1.715
60 HD2 LYS 7 2HD LYS 7 -0.339 5.411 3.787
61 HD3 LYS 7 1HD LYS 7 -0.954 3.867 4.297
62 HE2 LYS 7 2HE LYS 7 1.008 4.225 5.647
63 HE3 LYS 7 1HE LYS 7 1.487 2.988 4.485
64 HZ1 LYS 7 1HZ LYS 7 3.184 4.828 4.603
65 HZ2 LYS 7 2HZ LYS 7 2.522 4.795 3.099
66 HZ3 LYS 7 3HZ LYS 7 2.060 5.948 4.164
67 H PHE 8 H PHE 8 0.254 -0.819 1.960
68 HA PHE 8 HA PHE 8 3.014 -0.986 3.194
69 HB2 PHE 8 2HB PHE 8 0.980 -1.839 4.478
70 HB3 PHE 8 1HB PHE 8 0.747 -3.054 3.248
71 HD1 PHE 8 HD1 PHE 8 1.024 -4.992 4.640
72 HD2 PHE 8 HD2 PHE 8 4.164 -2.035 4.668
73 HE1 PHE 8 HE1 PHE 8 2.505 -6.537 5.852
74 HE2 PHE 8 HE2 PHE 8 5.623 -3.600 5.822
75 HZ PHE 8 HZ PHE 8 4.812 -5.853 6.427
76 H LEU 9 H LEU 9 1.134 -3.036 0.846
77 HA LEU 9 HA LEU 9 3.262 -4.698 -0.003
78 HB2 LEU 9 2HB LEU 9 0.712 -4.757 -0.544
79 HB3 LEU 9 1HB LEU 9 1.045 -3.687 -1.866
80 HG LEU 9 HG LEU 9 2.914 -5.989 -1.965
81 HD11 LEU 9 1HD1 LEU 9 1.198 -7.149 -0.559
82 HD12 LEU 9 2HD1 LEU 9 -0.012 -6.885 -1.840
83 HD13 LEU 9 3HD1 LEU 9 1.429 -7.890 -2.153
84 HD21 LEU 9 1HD2 LEU 9 2.317 -4.717 -3.998
85 HD22 LEU 9 2HD2 LEU 9 1.767 -6.390 -4.212
86 HD23 LEU 9 3HD2 LEU 9 0.591 -5.119 -3.816
87 H GLY 10 H GLY 10 2.600 -1.485 -1.417
88 HA2 GLY 10 1HA GLY 10 4.577 -1.211 -3.500
89 HA3 GLY 10 2HA GLY 10 4.132 0.059 -2.384
90 H ARG 11 H ARG 11 5.162 -0.955 -0.022
91 HA ARG 11 HA ARG 11 8.151 -0.516 -0.267
92 HB2 ARG 11 2HB ARG 11 6.240 -0.970 2.110
93 HB3 ARG 11 1HB ARG 11 7.958 -0.979 2.337
94 HG2 ARG 11 2HG ARG 11 6.554 1.451 1.046
95 HG3 ARG 11 1HG ARG 11 6.639 1.207 2.775
96 HD2 ARG 11 2HD ARG 11 9.356 0.798 2.027
97 HD3 ARG 11 1HD ARG 11 8.835 1.959 0.799
98 HE ARG 11 HE ARG 11 7.871 2.970 3.348
99 HH11 ARG 11 1HH1 ARG 11 11.824 3.479 3.059
100 HH12 ARG 11 2HH1 ARG 11 10.977 2.299 1.946
101 HH21 ARG 11 1HH2 ARG 11 10.646 4.555 4.481
102 HH22 ARG 11 2HH2 ARG 11 8.848 4.298 4.595
103 H ILE 12 H ILE 12 6.008 -3.246 0.584
104 HA ILE 12 HA ILE 12 8.131 -5.207 1.191
105 HB ILE 12 HB ILE 12 5.388 -5.886 0.027
106 HG12 ILE 12 2HG1 ILE 12 5.996 -5.475 3.016
107 HG13 ILE 12 1HG1 ILE 12 5.012 -4.441 2.029
108 HG21 ILE 12 1HG2 ILE 12 7.510 -7.692 0.631
109 HG22 ILE 12 2HG2 ILE 12 6.508 -7.787 2.078
110 HG23 ILE 12 3HG2 ILE 12 5.795 -8.098 0.486
111 HD11 ILE 12 1HD1 ILE 12 4.165 -6.842 3.419
112 HD12 ILE 12 2HD1 ILE 12 3.166 -5.651 2.553
113 HD13 ILE 12 3HD1 ILE 12 3.809 -7.064 1.696
114 H LEU 13 H LEU 13 6.530 -4.409 -1.889
115 HA LEU 13 HA LEU 13 7.938 -6.295 -3.638
116 HB2 LEU 13 2HB LEU 13 6.483 -3.617 -4.005
117 HB3 LEU 13 1HB LEU 13 7.373 -4.234 -5.341
118 HG LEU 13 HG LEU 13 4.833 -4.689 -5.168
119 HD11 LEU 13 1HD1 LEU 13 6.364 -5.676 -6.934
120 HD12 LEU 13 2HD1 LEU 13 6.614 -7.100 -5.891
121 HD13 LEU 13 3HD1 LEU 13 4.992 -6.722 -6.525
122 HD21 LEU 13 1HD2 LEU 13 4.808 -5.773 -2.881
123 HD22 LEU 13 2HD2 LEU 13 4.070 -6.797 -4.128
124 HD23 LEU 13 3HD2 LEU 13 5.698 -7.155 -3.513
125 HN1 NH2 14 1HN NH2 14 10.672 -3.247 -3.464
126 HN2 NH2 14 2HN NH2 14 8.947 -2.863 -2.950
Start of MODEL 7
1 H1 PHE 1 1H PHE 1 -11.035 7.986 -1.125
2 H2 PHE 1 2H PHE 1 -10.305 8.401 0.305
3 H3 PHE 1 3H PHE 1 -9.399 8.208 -1.051
4 HA PHE 1 HA PHE 1 -10.875 6.055 0.392
5 HB2 PHE 1 2HB PHE 1 -9.120 5.836 -2.155
6 HB3 PHE 1 1HB PHE 1 -9.776 4.476 -1.289
7 HD1 PHE 1 HD1 PHE 1 -12.573 4.903 -0.750
8 HD2 PHE 1 HD2 PHE 1 -10.285 6.090 -4.206
9 HE1 PHE 1 HE1 PHE 1 -14.626 5.024 -2.079
10 HE2 PHE 1 HE2 PHE 1 -12.353 6.169 -5.528
11 HZ PHE 1 HZ PHE 1 -14.529 5.659 -4.467
12 H VAL 2 H VAL 2 -9.496 4.323 1.181
13 HA VAL 2 HA VAL 2 -6.622 5.173 1.827
14 HB VAL 2 HB VAL 2 -8.446 3.893 3.914
15 HG11 VAL 2 1HG1 VAL 2 -6.661 4.055 5.437
16 HG12 VAL 2 2HG1 VAL 2 -5.735 3.736 3.965
17 HG13 VAL 2 3HG1 VAL 2 -5.856 5.393 4.594
18 HG21 VAL 2 1HG2 VAL 2 -9.333 6.196 3.638
19 HG22 VAL 2 2HG2 VAL 2 -8.443 6.107 5.161
20 HG23 VAL 2 3HG2 VAL 2 -7.705 6.893 3.738
21 HA JKH 3 HA CAP 3 -6.632 0.707 0.266
22 HD2 JKH 3 1HD CAP 3 -7.278 4.103 -1.110
23 HD3 JKH 3 2HD CAP 3 -5.840 4.797 -0.337
24 HB3 JKH 3 2HB CAP 3 -5.007 0.951 -1.911
25 HB2 JKH 3 1HB CAP 3 -6.705 1.384 -1.966
26 HG JKH 3 HG CAP 3 -5.791 3.423 -2.789
27 HG22 JKH 3 1HG2 CAP 3 -3.755 4.402 -1.671
28 HG21 JKH 3 2HG2 CAP 3 -3.656 3.014 -0.747
29 HG23 JKH 3 3HG2 CAP 3 -3.445 2.935 -2.366
30 H TRP 4 H TRP 4 -5.672 1.121 2.508
31 HA TRP 4 HA TRP 4 -2.851 1.209 3.084
32 HB2 TRP 4 1HB TRP 4 -3.328 -0.202 5.104
33 HB3 TRP 4 2HB TRP 4 -4.292 1.236 4.940
34 HD1 TRP 4 HD1 TRP 4 -6.939 1.005 4.714
35 HE1 TRP 4 HE1 TRP 4 -8.721 -0.951 4.816
36 HE3 TRP 4 HE3 TRP 4 -3.589 -2.856 4.587
37 HZ2 TRP 4 HZ2 TRP 4 -8.503 -3.780 4.779
38 HZ3 TRP 4 HZ3 TRP 4 -4.444 -5.174 4.554
39 HH2 TRP 4 HH2 TRP 4 -6.860 -5.634 4.663
40 H PHE 5 H PHE 5 -4.622 -1.547 1.836
41 HA PHE 5 HA PHE 5 -2.581 -3.543 1.696
42 HB2 PHE 5 2HB PHE 5 -5.176 -2.987 0.329
43 HB3 PHE 5 1HB PHE 5 -4.064 -3.525 -0.866
44 HD1 PHE 5 HD1 PHE 5 -2.472 -5.637 -0.000
45 HD2 PHE 5 HD2 PHE 5 -6.454 -4.724 1.354
46 HE1 PHE 5 HE1 PHE 5 -2.773 -7.970 0.713
47 HE2 PHE 5 HE2 PHE 5 -6.750 -7.068 2.037
48 HZ PHE 5 HZ PHE 5 -4.908 -8.693 1.734
49 H SER 6 H SER 6 -2.996 -0.903 -0.635
50 HA SER 6 HA SER 6 -0.476 -1.576 -2.159
51 HB2 SER 6 2HB SER 6 -2.355 0.855 -2.330
52 HB3 SER 6 1HB SER 6 -0.967 0.573 -3.391
53 HG SER 6 HG SER 6 -3.203 -0.253 -4.028
54 H LYS 7 H LYS 7 -1.389 0.771 0.362
55 HA LYS 7 HA LYS 7 1.138 2.316 0.450
56 HB2 LYS 7 2HB LYS 7 -0.768 1.697 2.793
57 HB3 LYS 7 1HB LYS 7 0.553 2.831 2.830
58 HG2 LYS 7 2HG LYS 7 -0.574 4.075 0.836
59 HG3 LYS 7 1HG LYS 7 -2.009 3.103 1.157
60 HD2 LYS 7 2HD LYS 7 -2.270 4.019 3.422
61 HD3 LYS 7 1HD LYS 7 -0.656 4.730 3.403
62 HE2 LYS 7 2HE LYS 7 -1.324 6.290 1.509
63 HE3 LYS 7 1HE LYS 7 -2.964 5.629 1.531
64 HZ1 LYS 7 1HZ LYS 7 -2.777 7.677 2.958
65 HZ2 LYS 7 2HZ LYS 7 -3.159 6.390 3.911
66 HZ3 LYS 7 3HZ LYS 7 -1.630 6.969 3.892
67 H PHE 8 H PHE 8 0.262 -0.764 1.986
68 HA PHE 8 HA PHE 8 3.030 -1.005 3.156
69 HB2 PHE 8 2HB PHE 8 0.993 -1.837 4.431
70 HB3 PHE 8 1HB PHE 8 0.738 -3.040 3.191
71 HD1 PHE 8 HD1 PHE 8 0.961 -4.962 4.626
72 HD2 PHE 8 HD2 PHE 8 4.205 -2.119 4.546
73 HE1 PHE 8 HE1 PHE 8 2.422 -6.553 5.801
74 HE2 PHE 8 HE2 PHE 8 5.639 -3.726 5.666
75 HZ PHE 8 HZ PHE 8 4.768 -5.948 6.306
76 H LEU 9 H LEU 9 1.133 -2.972 0.759
77 HA LEU 9 HA LEU 9 3.230 -4.677 -0.095
78 HB2 LEU 9 2HB LEU 9 0.696 -4.681 -0.660
79 HB3 LEU 9 1HB LEU 9 1.047 -3.575 -1.949
80 HG LEU 9 HG LEU 9 2.878 -5.919 -2.084
81 HD11 LEU 9 1HD1 LEU 9 -0.074 -6.733 -2.099
82 HD12 LEU 9 2HD1 LEU 9 1.357 -7.766 -2.367
83 HD13 LEU 9 3HD1 LEU 9 1.068 -7.056 -0.769
84 HD21 LEU 9 1HD2 LEU 9 0.664 -4.862 -3.969
85 HD22 LEU 9 2HD2 LEU 9 2.419 -4.586 -4.094
86 HD23 LEU 9 3HD2 LEU 9 1.752 -6.205 -4.378
87 H GLY 10 H GLY 10 2.642 -1.432 -1.468
88 HA2 GLY 10 1HA GLY 10 4.653 -1.153 -3.518
89 HA3 GLY 10 2HA GLY 10 4.230 0.101 -2.373
90 H ARG 11 H ARG 11 5.198 -1.063 -0.022
91 HA ARG 11 HA ARG 11 8.195 -0.695 -0.295
92 HB2 ARG 11 2HB ARG 11 6.496 -1.207 2.233
93 HB3 ARG 11 1HB ARG 11 8.205 -0.853 2.217
94 HG2 ARG 11 2HG ARG 11 5.921 1.065 1.439
95 HG3 ARG 11 1HG ARG 11 6.914 1.134 2.864
96 HD2 ARG 11 2HD ARG 11 8.814 1.215 0.615
97 HD3 ARG 11 1HD ARG 11 7.441 2.133 0.082
98 HE ARG 11 HE ARG 11 8.116 3.889 1.574
99 HH11 ARG 11 1HH1 ARG 11 10.456 1.742 4.028
100 HH12 ARG 11 2HH1 ARG 11 9.459 0.921 2.728
101 HH21 ARG 11 1HH2 ARG 11 10.312 3.878 4.175
102 HH22 ARG 11 2HH2 ARG 11 9.242 4.829 3.045
103 H ILE 12 H ILE 12 5.993 -3.331 0.573
104 HA ILE 12 HA ILE 12 8.043 -5.368 1.173
105 HB ILE 12 HB ILE 12 5.296 -5.947 -0.059
106 HG12 ILE 12 2HG1 ILE 12 5.887 -5.601 2.950
107 HG13 ILE 12 1HG1 ILE 12 4.951 -4.516 1.972
108 HG21 ILE 12 1HG2 ILE 12 6.963 -7.917 0.085
109 HG22 ILE 12 2HG2 ILE 12 6.978 -7.718 1.852
110 HG23 ILE 12 3HG2 ILE 12 5.486 -8.179 1.002
111 HD11 ILE 12 1HD1 ILE 12 3.607 -7.028 1.558
112 HD12 ILE 12 2HD1 ILE 12 4.013 -6.940 3.287
113 HD13 ILE 12 3HD1 ILE 12 3.072 -5.642 2.516
114 H LEU 13 H LEU 13 6.521 -4.449 -1.914
115 HA LEU 13 HA LEU 13 7.929 -6.309 -3.685
116 HB2 LEU 13 2HB LEU 13 6.540 -3.590 -4.013
117 HB3 LEU 13 1HB LEU 13 7.431 -4.208 -5.350
118 HG LEU 13 HG LEU 13 4.863 -4.626 -5.191
119 HD11 LEU 13 1HD1 LEU 13 6.046 -5.526 -7.073
120 HD12 LEU 13 2HD1 LEU 13 6.883 -6.760 -6.096
121 HD13 LEU 13 3HD1 LEU 13 5.139 -6.902 -6.424
122 HD21 LEU 13 1HD2 LEU 13 5.691 -7.144 -3.606
123 HD22 LEU 13 2HD2 LEU 13 4.822 -5.764 -2.936
124 HD23 LEU 13 3HD2 LEU 13 4.070 -6.736 -4.211
125 HN1 NH2 14 1HN NH2 14 10.802 -3.473 -3.210
126 HN2 NH2 14 2HN NH2 14 9.140 -3.130 -2.513
Start of MODEL 8
1 H1 PHE 1 1H PHE 1 -11.269 7.333 -0.148
2 H2 PHE 1 2H PHE 1 -10.776 6.410 1.125
3 H3 PHE 1 3H PHE 1 -10.223 7.953 0.968
4 HA PHE 1 HA PHE 1 -9.596 5.714 -0.933
5 HB2 PHE 1 2HB PHE 1 -8.810 8.704 -0.964
6 HB3 PHE 1 1HB PHE 1 -7.853 7.498 -1.750
7 HD1 PHE 1 HD1 PHE 1 -11.524 8.550 -1.665
8 HD2 PHE 1 HD2 PHE 1 -8.231 7.095 -4.038
9 HE1 PHE 1 HE1 PHE 1 -12.946 8.549 -3.648
10 HE2 PHE 1 HE2 PHE 1 -9.660 7.184 -6.035
11 HZ PHE 1 HZ PHE 1 -12.023 7.887 -5.843
12 H VAL 2 H VAL 2 -9.089 4.490 1.037
13 HA VAL 2 HA VAL 2 -6.259 5.149 2.024
14 HB VAL 2 HB VAL 2 -8.353 3.846 3.822
15 HG11 VAL 2 1HG1 VAL 2 -5.681 3.513 4.126
16 HG12 VAL 2 2HG1 VAL 2 -5.753 5.141 4.827
17 HG13 VAL 2 3HG1 VAL 2 -6.719 3.823 5.522
18 HG21 VAL 2 1HG2 VAL 2 -8.279 6.021 5.207
19 HG22 VAL 2 2HG2 VAL 2 -7.466 6.809 3.829
20 HG23 VAL 2 3HG2 VAL 2 -9.115 6.176 3.656
21 HA JKH 3 HA CAP 3 -6.391 0.847 0.129
22 HD2 JKH 3 1HD CAP 3 -6.670 4.345 -1.028
23 HD3 JKH 3 2HD CAP 3 -5.274 4.894 -0.078
24 HB3 JKH 3 2HB CAP 3 -4.551 1.129 -1.878
25 HB2 JKH 3 1HB CAP 3 -6.201 1.695 -2.044
26 HG JKH 3 HG CAP 3 -5.073 3.709 -2.614
27 HG22 JKH 3 1HG2 CAP 3 -3.092 4.443 -1.265
28 HG21 JKH 3 2HG2 CAP 3 -3.184 3.009 -0.415
29 HG23 JKH 3 3HG2 CAP 3 -2.818 2.990 -2.009
30 H TRP 4 H TRP 4 -5.592 1.020 2.490
31 HA TRP 4 HA TRP 4 -2.834 0.842 3.314
32 HB2 TRP 4 1HB TRP 4 -3.602 -0.681 5.146
33 HB3 TRP 4 2HB TRP 4 -4.447 0.831 5.015
34 HD1 TRP 4 HD1 TRP 4 -7.075 0.814 4.526
35 HE1 TRP 4 HE1 TRP 4 -8.981 -1.011 4.298
36 HE3 TRP 4 HE3 TRP 4 -3.983 -3.251 4.412
37 HZ2 TRP 4 HZ2 TRP 4 -8.938 -3.838 4.035
38 HZ3 TRP 4 HZ3 TRP 4 -4.972 -5.494 4.097
39 HH2 TRP 4 HH2 TRP 4 -7.411 -5.788 3.920
40 H PHE 5 H PHE 5 -4.663 -1.697 1.720
41 HA PHE 5 HA PHE 5 -2.667 -3.777 1.536
42 HB2 PHE 5 2HB PHE 5 -3.940 -4.668 -0.278
43 HB3 PHE 5 1HB PHE 5 -5.048 -4.045 0.893
44 HD1 PHE 5 HD1 PHE 5 -6.485 -1.995 0.329
45 HD2 PHE 5 HD2 PHE 5 -3.752 -3.662 -2.547
46 HE1 PHE 5 HE1 PHE 5 -7.505 -0.630 -1.454
47 HE2 PHE 5 HE2 PHE 5 -4.746 -2.251 -4.298
48 HZ PHE 5 HZ PHE 5 -6.603 -0.716 -3.753
49 H SER 6 H SER 6 -3.094 -1.092 -0.764
50 HA SER 6 HA SER 6 -0.554 -1.742 -2.228
51 HB2 SER 6 2HB SER 6 -2.964 -0.426 -2.979
52 HB3 SER 6 1HB SER 6 -1.838 0.907 -2.850
53 HG SER 6 HG SER 6 -1.997 -0.982 -4.731
54 H LYS 7 H LYS 7 -1.532 0.778 0.036
55 HA LYS 7 HA LYS 7 0.953 2.369 0.184
56 HB2 LYS 7 2HB LYS 7 -1.503 1.939 1.936
57 HB3 LYS 7 1HB LYS 7 -0.085 2.375 2.818
58 HG2 LYS 7 2HG LYS 7 0.277 4.407 1.420
59 HG3 LYS 7 1HG LYS 7 -1.151 4.036 0.463
60 HD2 LYS 7 2HD LYS 7 -2.639 4.243 2.440
61 HD3 LYS 7 1HD LYS 7 -1.302 4.359 3.548
62 HE2 LYS 7 2HE LYS 7 -1.538 6.461 1.280
63 HE3 LYS 7 1HE LYS 7 -2.640 6.567 2.644
64 HZ1 LYS 7 1HZ LYS 7 -0.511 7.841 3.050
65 HZ2 LYS 7 2HZ LYS 7 -0.719 6.674 4.185
66 HZ3 LYS 7 3HZ LYS 7 0.362 6.448 2.979
67 H PHE 8 H PHE 8 0.091 -0.696 1.793
68 HA PHE 8 HA PHE 8 2.835 -0.783 3.037
69 HB2 PHE 8 2HB PHE 8 0.807 -1.593 4.334
70 HB3 PHE 8 1HB PHE 8 0.608 -2.879 3.171
71 HD1 PHE 8 HD1 PHE 8 0.868 -4.687 4.745
72 HD2 PHE 8 HD2 PHE 8 4.040 -1.775 4.479
73 HE1 PHE 8 HE1 PHE 8 2.367 -6.160 6.023
74 HE2 PHE 8 HE2 PHE 8 5.510 -3.266 5.703
75 HZ PHE 8 HZ PHE 8 4.696 -5.463 6.487
76 H LEU 9 H LEU 9 1.035 -2.938 0.724
77 HA LEU 9 HA LEU 9 3.199 -4.621 0.004
78 HB2 LEU 9 2HB LEU 9 0.678 -4.735 -0.602
79 HB3 LEU 9 1HB LEU 9 1.020 -3.697 -1.948
80 HG LEU 9 HG LEU 9 2.917 -5.983 -1.912
81 HD11 LEU 9 1HD1 LEU 9 1.506 -7.906 -2.037
82 HD12 LEU 9 2HD1 LEU 9 1.076 -7.068 -0.537
83 HD13 LEU 9 3HD1 LEU 9 0.010 -6.938 -1.958
84 HD21 LEU 9 1HD2 LEU 9 2.384 -4.758 -4.001
85 HD22 LEU 9 2HD2 LEU 9 1.873 -6.447 -4.195
86 HD23 LEU 9 3HD2 LEU 9 0.660 -5.189 -3.877
87 H GLY 10 H GLY 10 2.551 -1.464 -1.548
88 HA2 GLY 10 1HA GLY 10 4.595 -1.245 -3.567
89 HA3 GLY 10 2HA GLY 10 4.112 0.060 -2.507
90 H ARG 11 H ARG 11 5.072 -0.860 -0.081
91 HA ARG 11 HA ARG 11 8.067 -0.435 -0.255
92 HB2 ARG 11 2HB ARG 11 6.088 -0.784 2.084
93 HB3 ARG 11 1HB ARG 11 7.800 -0.777 2.359
94 HG2 ARG 11 2HG ARG 11 6.443 1.580 0.897
95 HG3 ARG 11 1HG ARG 11 6.443 1.432 2.633
96 HD2 ARG 11 2HD ARG 11 9.214 0.969 1.890
97 HD3 ARG 11 1HD ARG 11 8.675 2.211 0.757
98 HE ARG 11 HE ARG 11 7.719 3.086 3.332
99 HH11 ARG 11 1HH1 ARG 11 11.690 3.497 3.182
100 HH12 ARG 11 2HH1 ARG 11 10.849 2.386 1.997
101 HH21 ARG 11 1HH2 ARG 11 10.496 4.550 4.610
102 HH22 ARG 11 2HH2 ARG 11 8.689 4.337 4.656
103 H ILE 12 H ILE 12 5.895 -3.127 0.647
104 HA ILE 12 HA ILE 12 7.988 -5.069 1.386
105 HB ILE 12 HB ILE 12 5.284 -5.808 0.147
106 HG12 ILE 12 2HG1 ILE 12 5.815 -5.281 3.141
107 HG13 ILE 12 1HG1 ILE 12 4.864 -4.279 2.092
108 HG21 ILE 12 1HG2 ILE 12 6.989 -7.417 2.178
109 HG22 ILE 12 2HG2 ILE 12 5.521 -7.968 1.342
110 HG23 ILE 12 3HG2 ILE 12 7.000 -7.718 0.425
111 HD11 ILE 12 1HD1 ILE 12 3.011 -5.431 2.677
112 HD12 ILE 12 2HD1 ILE 12 3.597 -6.846 1.796
113 HD13 ILE 12 3HD1 ILE 12 3.979 -6.659 3.522
114 H LEU 13 H LEU 13 6.501 -4.382 -1.773
115 HA LEU 13 HA LEU 13 7.976 -6.320 -3.400
116 HB2 LEU 13 2HB LEU 13 6.512 -3.672 -3.920
117 HB3 LEU 13 1HB LEU 13 7.447 -4.336 -5.204
118 HG LEU 13 HG LEU 13 4.891 -4.832 -5.054
119 HD11 LEU 13 1HD1 LEU 13 7.066 -6.808 -5.898
120 HD12 LEU 13 2HD1 LEU 13 5.358 -7.272 -6.057
121 HD13 LEU 13 3HD1 LEU 13 5.957 -5.830 -6.890
122 HD21 LEU 13 1HD2 LEU 13 5.774 -7.215 -3.304
123 HD22 LEU 13 2HD2 LEU 13 4.858 -5.818 -2.737
124 HD23 LEU 13 3HD2 LEU 13 4.151 -6.894 -3.954
125 HN1 NH2 14 1HN NH2 14 10.730 -3.323 -3.153
126 HN2 NH2 14 2HN NH2 14 9.014 -2.943 -2.618
Start of MODEL 9
1 H1 PHE 1 1H PHE 1 -11.371 7.545 -0.225
2 H2 PHE 1 2H PHE 1 -10.956 6.696 1.127
3 H3 PHE 1 3H PHE 1 -10.251 8.150 0.828
4 HA PHE 1 HA PHE 1 -9.890 5.680 -0.816
5 HB2 PHE 1 2HB PHE 1 -9.887 7.867 -2.140
6 HB3 PHE 1 1HB PHE 1 -8.576 8.452 -1.146
7 HD1 PHE 1 HD1 PHE 1 -6.319 8.025 -1.911
8 HD2 PHE 1 HD2 PHE 1 -9.495 5.507 -3.368
9 HE1 PHE 1 HE1 PHE 1 -4.768 6.965 -3.502
10 HE2 PHE 1 HE2 PHE 1 -7.923 4.440 -4.924
11 HZ PHE 1 HZ PHE 1 -5.567 5.177 -5.013
12 H VAL 2 H VAL 2 -9.152 4.400 0.914
13 HA VAL 2 HA VAL 2 -6.377 5.163 1.951
14 HB VAL 2 HB VAL 2 -8.423 3.840 3.786
15 HG11 VAL 2 1HG1 VAL 2 -5.589 3.792 3.971
16 HG12 VAL 2 2HG1 VAL 2 -6.006 5.143 5.031
17 HG13 VAL 2 3HG1 VAL 2 -6.723 3.546 5.303
18 HG21 VAL 2 1HG2 VAL 2 -8.389 6.003 5.154
19 HG22 VAL 2 2HG2 VAL 2 -7.555 6.805 3.794
20 HG23 VAL 2 3HG2 VAL 2 -9.200 6.165 3.591
21 HA JKH 3 HA CAP 3 -6.411 0.841 0.099
22 HD2 JKH 3 1HD CAP 3 -6.743 4.328 -1.071
23 HD3 JKH 3 2HD CAP 3 -5.366 4.911 -0.117
24 HB3 JKH 3 2HB CAP 3 -4.565 1.147 -1.901
25 HB2 JKH 3 1HB CAP 3 -6.221 1.690 -2.074
26 HG JKH 3 HG CAP 3 -5.109 3.709 -2.637
27 HG22 JKH 3 1HG2 CAP 3 -3.161 4.495 -1.266
28 HG21 JKH 3 2HG2 CAP 3 -3.231 3.069 -0.413
29 HG23 JKH 3 3HG2 CAP 3 -2.847 3.046 -2.002
30 H TRP 4 H TRP 4 -5.596 1.050 2.469
31 HA TRP 4 HA TRP 4 -2.828 0.907 3.260
32 HB2 TRP 4 1HB TRP 4 -3.573 -0.607 5.126
33 HB3 TRP 4 2HB TRP 4 -4.446 0.889 4.981
34 HD1 TRP 4 HD1 TRP 4 -7.074 0.818 4.500
35 HE1 TRP 4 HE1 TRP 4 -8.949 -1.041 4.297
36 HE3 TRP 4 HE3 TRP 4 -3.915 -3.199 4.422
37 HZ2 TRP 4 HZ2 TRP 4 -8.862 -3.869 4.063
38 HZ3 TRP 4 HZ3 TRP 4 -4.870 -5.460 4.134
39 HH2 TRP 4 HH2 TRP 4 -7.305 -5.795 3.965
40 H PHE 5 H PHE 5 -4.636 -1.671 1.709
41 HA PHE 5 HA PHE 5 -2.620 -3.736 1.560
42 HB2 PHE 5 2HB PHE 5 -3.877 -4.664 -0.249
43 HB3 PHE 5 1HB PHE 5 -4.994 -4.044 0.917
44 HD1 PHE 5 HD1 PHE 5 -6.454 -2.014 0.334
45 HD2 PHE 5 HD2 PHE 5 -3.704 -3.675 -2.528
46 HE1 PHE 5 HE1 PHE 5 -7.486 -0.672 -1.460
47 HE2 PHE 5 HE2 PHE 5 -4.707 -2.286 -4.289
48 HZ PHE 5 HZ PHE 5 -6.581 -0.767 -3.757
49 H SER 6 H SER 6 -3.076 -1.096 -0.791
50 HA SER 6 HA SER 6 -0.537 -1.731 -2.253
51 HB2 SER 6 2HB SER 6 -2.886 -0.531 -3.089
52 HB3 SER 6 1HB SER 6 -1.955 0.917 -2.738
53 HG SER 6 HG SER 6 -1.702 -0.018 -4.892
54 H LYS 7 H LYS 7 -1.523 0.740 0.044
55 HA LYS 7 HA LYS 7 0.949 2.339 0.156
56 HB2 LYS 7 2HB LYS 7 -1.635 2.358 1.495
57 HB3 LYS 7 1HB LYS 7 -0.539 2.061 2.770
58 HG2 LYS 7 2HG LYS 7 0.161 4.319 0.804
59 HG3 LYS 7 1HG LYS 7 -1.240 4.559 1.798
60 HD2 LYS 7 2HD LYS 7 1.326 3.613 3.192
61 HD3 LYS 7 1HD LYS 7 1.327 5.221 2.557
62 HE2 LYS 7 2HE LYS 7 -1.212 4.624 4.141
63 HE3 LYS 7 1HE LYS 7 0.229 4.324 5.084
64 HZ1 LYS 7 1HZ LYS 7 -0.503 6.733 5.208
65 HZ2 LYS 7 2HZ LYS 7 1.014 6.617 4.590
66 HZ3 LYS 7 3HZ LYS 7 -0.247 6.913 3.592
67 H PHE 8 H PHE 8 0.108 -0.692 1.787
68 HA PHE 8 HA PHE 8 2.848 -0.781 3.051
69 HB2 PHE 8 2HB PHE 8 0.815 -1.607 4.333
70 HB3 PHE 8 1HB PHE 8 0.611 -2.872 3.149
71 HD1 PHE 8 HD1 PHE 8 0.832 -4.691 4.720
72 HD2 PHE 8 HD2 PHE 8 4.055 -1.836 4.462
73 HE1 PHE 8 HE1 PHE 8 2.306 -6.196 5.991
74 HE2 PHE 8 HE2 PHE 8 5.501 -3.359 5.681
75 HZ PHE 8 HZ PHE 8 4.646 -5.543 6.457
76 H LEU 9 H LEU 9 1.052 -2.913 0.707
77 HA LEU 9 HA LEU 9 3.202 -4.619 -0.005
78 HB2 LEU 9 2HB LEU 9 0.692 -4.705 -0.622
79 HB3 LEU 9 1HB LEU 9 1.040 -3.646 -1.951
80 HG LEU 9 HG LEU 9 2.908 -5.963 -1.964
81 HD11 LEU 9 1HD1 LEU 9 1.206 -7.144 -0.645
82 HD12 LEU 9 2HD1 LEU 9 -0.049 -6.763 -1.850
83 HD13 LEU 9 3HD1 LEU 9 1.320 -7.823 -2.279
84 HD21 LEU 9 1HD2 LEU 9 2.421 -4.697 -4.029
85 HD22 LEU 9 2HD2 LEU 9 1.845 -6.359 -4.256
86 HD23 LEU 9 3HD2 LEU 9 0.680 -5.061 -3.917
87 H GLY 10 H GLY 10 2.600 -1.448 -1.547
88 HA2 GLY 10 1HA GLY 10 4.655 -1.230 -3.550
89 HA3 GLY 10 2HA GLY 10 4.193 0.067 -2.472
90 H ARG 11 H ARG 11 5.129 -0.901 -0.063
91 HA ARG 11 HA ARG 11 8.134 -0.519 -0.227
92 HB2 ARG 11 2HB ARG 11 6.134 -0.827 2.099
93 HB3 ARG 11 1HB ARG 11 7.846 -0.839 2.377
94 HG2 ARG 11 2HG ARG 11 6.617 1.519 0.809
95 HG3 ARG 11 1HG ARG 11 6.403 1.425 2.525
96 HD2 ARG 11 2HD ARG 11 9.295 0.922 1.991
97 HD3 ARG 11 1HD ARG 11 8.794 2.233 0.971
98 HE ARG 11 HE ARG 11 8.707 3.652 2.894
99 HH11 ARG 11 1HH1 ARG 11 8.223 0.884 5.754
100 HH12 ARG 11 2HH1 ARG 11 8.268 0.404 3.985
101 HH21 ARG 11 1HH2 ARG 11 8.425 2.965 6.214
102 HH22 ARG 11 2HH2 ARG 11 8.643 4.205 4.896
103 H ILE 12 H ILE 12 5.913 -3.175 0.644
104 HA ILE 12 HA ILE 12 7.977 -5.151 1.407
105 HB ILE 12 HB ILE 12 5.281 -5.827 0.136
106 HG12 ILE 12 2HG1 ILE 12 5.755 -5.319 3.136
107 HG13 ILE 12 1HG1 ILE 12 4.821 -4.318 2.069
108 HG21 ILE 12 1HG2 ILE 12 6.375 -7.639 2.311
109 HG22 ILE 12 2HG2 ILE 12 5.571 -8.027 0.780
110 HG23 ILE 12 3HG2 ILE 12 7.299 -7.664 0.807
111 HD11 ILE 12 1HD1 ILE 12 3.918 -6.696 3.495
112 HD12 ILE 12 2HD1 ILE 12 2.955 -5.488 2.613
113 HD13 ILE 12 3HD1 ILE 12 3.586 -6.911 1.763
114 H LEU 13 H LEU 13 6.544 -4.380 -1.760
115 HA LEU 13 HA LEU 13 7.972 -6.358 -3.386
116 HB2 LEU 13 2HB LEU 13 6.558 -3.684 -3.903
117 HB3 LEU 13 1HB LEU 13 7.492 -4.352 -5.183
118 HG LEU 13 HG LEU 13 4.936 -4.792 -5.074
119 HD11 LEU 13 1HD1 LEU 13 5.178 -6.969 -6.295
120 HD12 LEU 13 2HD1 LEU 13 6.397 -5.789 -6.812
121 HD13 LEU 13 3HD1 LEU 13 6.857 -7.118 -5.715
122 HD21 LEU 13 1HD2 LEU 13 4.136 -6.856 -3.995
123 HD22 LEU 13 2HD2 LEU 13 5.748 -7.218 -3.337
124 HD23 LEU 13 3HD2 LEU 13 4.859 -5.812 -2.756
125 HN1 NH2 14 1HN NH2 14 10.719 -3.303 -3.423
126 HN2 NH2 14 2HN NH2 14 8.953 -2.838 -3.162
Start of MODEL 10
1 H1 PHE 1 1H PHE 1 -11.460 7.206 -0.165
2 H2 PHE 1 2H PHE 1 -10.964 6.266 1.096
3 H3 PHE 1 3H PHE 1 -10.475 7.833 1.001
4 HA PHE 1 HA PHE 1 -9.692 5.678 -0.935
5 HB2 PHE 1 2HB PHE 1 -9.141 8.717 -0.893
6 HB3 PHE 1 1HB PHE 1 -7.999 7.634 -1.604
7 HD1 PHE 1 HD1 PHE 1 -11.702 8.442 -1.825
8 HD2 PHE 1 HD2 PHE 1 -8.200 6.977 -3.867
9 HE1 PHE 1 HE1 PHE 1 -12.967 8.307 -3.917
10 HE2 PHE 1 HE2 PHE 1 -9.474 6.908 -5.967
11 HZ PHE 1 HZ PHE 1 -11.860 7.556 -5.996
12 H VAL 2 H VAL 2 -9.162 4.421 1.008
13 HA VAL 2 HA VAL 2 -6.362 5.159 1.997
14 HB VAL 2 HB VAL 2 -8.387 3.834 3.847
15 HG11 VAL 2 1HG1 VAL 2 -5.561 3.798 3.996
16 HG12 VAL 2 2HG1 VAL 2 -5.968 5.152 5.059
17 HG13 VAL 2 3HG1 VAL 2 -6.680 3.554 5.339
18 HG21 VAL 2 1HG2 VAL 2 -7.759 6.820 3.579
19 HG22 VAL 2 2HG2 VAL 2 -9.305 6.004 3.891
20 HG23 VAL 2 3HG2 VAL 2 -8.113 6.152 5.190
21 HA JKH 3 HA CAP 3 -6.402 0.849 0.150
22 HD2 JKH 3 1HD CAP 3 -6.752 4.350 -1.023
23 HD3 JKH 3 2HD CAP 3 -5.352 4.915 -0.090
24 HB3 JKH 3 2HB CAP 3 -4.644 1.150 -1.895
25 HB2 JKH 3 1HB CAP 3 -6.288 1.718 -2.021
26 HG JKH 3 HG CAP 3 -5.164 3.726 -2.626
27 HG22 JKH 3 1HG2 CAP 3 -3.154 4.464 -1.313
28 HG21 JKH 3 2HG2 CAP 3 -3.232 3.028 -0.462
29 HG23 JKH 3 3HG2 CAP 3 -2.895 3.007 -2.055
30 H TRP 4 H TRP 4 -5.593 1.037 2.482
31 HA TRP 4 HA TRP 4 -2.831 0.920 3.299
32 HB2 TRP 4 1HB TRP 4 -3.554 -0.609 5.134
33 HB3 TRP 4 2HB TRP 4 -4.431 0.886 5.001
34 HD1 TRP 4 HD1 TRP 4 -7.061 0.814 4.529
35 HE1 TRP 4 HE1 TRP 4 -8.930 -1.052 4.325
36 HE3 TRP 4 HE3 TRP 4 -3.885 -3.184 4.413
37 HZ2 TRP 4 HZ2 TRP 4 -8.830 -3.880 4.081
38 HZ3 TRP 4 HZ3 TRP 4 -4.828 -5.450 4.125
39 HH2 TRP 4 HH2 TRP 4 -7.263 -5.798 3.969
40 H PHE 5 H PHE 5 -4.609 -1.655 1.700
41 HA PHE 5 HA PHE 5 -2.571 -3.692 1.525
42 HB2 PHE 5 2HB PHE 5 -3.838 -4.626 -0.273
43 HB3 PHE 5 1HB PHE 5 -4.948 -4.016 0.904
44 HD1 PHE 5 HD1 PHE 5 -6.437 -2.007 0.336
45 HD2 PHE 5 HD2 PHE 5 -3.682 -3.622 -2.546
46 HE1 PHE 5 HE1 PHE 5 -7.486 -0.661 -1.444
47 HE2 PHE 5 HE2 PHE 5 -4.694 -2.219 -4.292
48 HZ PHE 5 HZ PHE 5 -6.584 -0.725 -3.744
49 H SER 6 H SER 6 -3.062 -1.069 -0.840
50 HA SER 6 HA SER 6 -0.494 -1.599 -2.300
51 HB2 SER 6 2HB SER 6 -2.140 -0.806 -3.731
52 HB3 SER 6 1HB SER 6 -2.827 0.327 -2.589
53 HG SER 6 HG SER 6 -1.278 0.985 -4.488
54 H LYS 7 H LYS 7 -1.488 0.865 0.039
55 HA LYS 7 HA LYS 7 1.019 2.416 0.231
56 HB2 LYS 7 2HB LYS 7 -1.398 1.888 2.024
57 HB3 LYS 7 1HB LYS 7 -0.003 2.461 2.830
58 HG2 LYS 7 2HG LYS 7 -0.585 4.116 0.382
59 HG3 LYS 7 1HG LYS 7 -1.958 4.017 1.480
60 HD2 LYS 7 2HD LYS 7 -0.388 4.708 3.428
61 HD3 LYS 7 1HD LYS 7 0.910 4.840 2.269
62 HE2 LYS 7 2HE LYS 7 0.250 7.085 2.434
63 HE3 LYS 7 1HE LYS 7 -0.581 6.600 0.965
64 HZ1 LYS 7 1HZ LYS 7 -2.172 7.737 2.499
65 HZ2 LYS 7 2HZ LYS 7 -2.624 6.153 2.444
66 HZ3 LYS 7 3HZ LYS 7 -1.805 6.723 3.735
67 H PHE 8 H PHE 8 0.128 -0.661 1.801
68 HA PHE 8 HA PHE 8 2.867 -0.800 3.046
69 HB2 PHE 8 2HB PHE 8 0.822 -1.603 4.319
70 HB3 PHE 8 1HB PHE 8 0.607 -2.865 3.132
71 HD1 PHE 8 HD1 PHE 8 4.061 -1.860 4.451
72 HD2 PHE 8 HD2 PHE 8 0.814 -4.689 4.701
73 HE1 PHE 8 HE1 PHE 8 5.495 -3.399 5.656
74 HE2 PHE 8 HE2 PHE 8 2.277 -6.211 5.963
75 HZ PHE 8 HZ PHE 8 4.625 -5.580 6.425
76 H LEU 9 H LEU 9 1.059 -2.889 0.681
77 HA LEU 9 HA LEU 9 3.196 -4.618 -0.042
78 HB2 LEU 9 2HB LEU 9 0.685 -4.676 -0.644
79 HB3 LEU 9 1HB LEU 9 1.032 -3.602 -1.961
80 HG LEU 9 HG LEU 9 2.873 -5.935 -2.037
81 HD11 LEU 9 1HD1 LEU 9 -0.072 -6.646 -1.627
82 HD12 LEU 9 2HD1 LEU 9 1.057 -7.707 -2.504
83 HD13 LEU 9 3HD1 LEU 9 1.376 -7.287 -0.812
84 HD21 LEU 9 1HD2 LEU 9 2.358 -4.601 -4.055
85 HD22 LEU 9 2HD2 LEU 9 1.828 -6.271 -4.319
86 HD23 LEU 9 3HD2 LEU 9 0.626 -5.014 -3.951
87 H GLY 10 H GLY 10 2.621 -1.420 -1.538
88 HA2 GLY 10 1HA GLY 10 4.687 -1.203 -3.537
89 HA3 GLY 10 2HA GLY 10 4.223 0.091 -2.456
90 H ARG 11 H ARG 11 5.148 -0.901 -0.040
91 HA ARG 11 HA ARG 11 8.157 -0.546 -0.186
92 HB2 ARG 11 2HB ARG 11 6.157 -0.905 2.134
93 HB3 ARG 11 1HB ARG 11 7.868 -0.944 2.418
94 HG2 ARG 11 2HG ARG 11 6.577 1.474 1.005
95 HG3 ARG 11 1HG ARG 11 6.551 1.283 2.739
96 HD2 ARG 11 2HD ARG 11 9.310 0.817 2.161
97 HD3 ARG 11 1HD ARG 11 8.912 1.963 0.918
98 HE ARG 11 HE ARG 11 9.021 2.429 3.891
99 HH11 ARG 11 1HH1 ARG 11 7.373 5.364 1.733
100 HH12 ARG 11 2HH1 ARG 11 7.671 3.720 0.980
101 HH21 ARG 11 1HH2 ARG 11 7.926 5.636 3.791
102 HH22 ARG 11 2HH2 ARG 11 8.676 4.275 4.741
103 H ILE 12 H ILE 12 5.907 -3.193 0.657
104 HA ILE 12 HA ILE 12 7.945 -5.197 1.387
105 HB ILE 12 HB ILE 12 5.242 -5.834 0.114
106 HG12 ILE 12 2HG1 ILE 12 5.721 -5.359 3.116
107 HG13 ILE 12 1HG1 ILE 12 4.805 -4.335 2.057
108 HG21 ILE 12 1HG2 ILE 12 7.294 -7.670 0.873
109 HG22 ILE 12 2HG2 ILE 12 6.201 -7.716 2.254
110 HG23 ILE 12 3HG2 ILE 12 5.582 -8.042 0.626
111 HD11 ILE 12 1HD1 ILE 12 3.537 -6.910 1.722
112 HD12 ILE 12 2HD1 ILE 12 3.860 -6.710 3.456
113 HD13 ILE 12 3HD1 ILE 12 2.918 -5.485 2.575
114 H LEU 13 H LEU 13 6.511 -4.413 -1.774
115 HA LEU 13 HA LEU 13 7.946 -6.370 -3.421
116 HB2 LEU 13 2HB LEU 13 6.544 -3.682 -3.905
117 HB3 LEU 13 1HB LEU 13 7.484 -4.332 -5.191
118 HG LEU 13 HG LEU 13 4.929 -4.779 -5.096
119 HD11 LEU 13 1HD1 LEU 13 5.563 -7.369 -5.976
120 HD12 LEU 13 2HD1 LEU 13 5.697 -5.890 -6.934
121 HD13 LEU 13 3HD1 LEU 13 7.128 -6.551 -6.114
122 HD21 LEU 13 1HD2 LEU 13 4.830 -5.783 -2.793
123 HD22 LEU 13 2HD2 LEU 13 4.103 -6.822 -4.033
124 HD23 LEU 13 3HD2 LEU 13 5.705 -7.204 -3.360
125 HN1 NH2 14 1HN NH2 14 10.739 -3.387 -3.189
126 HN2 NH2 14 2HN NH2 14 9.003 -2.949 -2.765
Start of MODEL 11
1 H1 PHE 1 1H PHE 1 -11.747 7.745 -0.180
2 H2 PHE 1 2H PHE 1 -11.071 7.557 1.319
3 H3 PHE 1 3H PHE 1 -10.269 8.404 0.155
4 HA PHE 1 HA PHE 1 -10.872 5.483 0.071
5 HB2 PHE 1 2HB PHE 1 -9.366 7.227 -1.991
6 HB3 PHE 1 1HB PHE 1 -9.348 5.489 -1.992
7 HD1 PHE 1 HD1 PHE 1 -11.691 4.213 -2.024
8 HD2 PHE 1 HD2 PHE 1 -11.137 8.308 -3.243
9 HE1 PHE 1 HE1 PHE 1 -13.811 4.141 -3.265
10 HE2 PHE 1 HE2 PHE 1 -13.254 8.210 -4.488
11 HZ PHE 1 HZ PHE 1 -14.600 6.135 -4.495
12 H VAL 2 H VAL 2 -9.509 4.310 1.214
13 HA VAL 2 HA VAL 2 -6.622 5.220 1.620
14 HB VAL 2 HB VAL 2 -7.737 5.817 3.637
15 HG11 VAL 2 1HG1 VAL 2 -8.437 3.384 5.043
16 HG12 VAL 2 2HG1 VAL 2 -9.510 4.699 4.528
17 HG13 VAL 2 3HG1 VAL 2 -9.260 3.291 3.486
18 HG21 VAL 2 1HG2 VAL 2 -6.099 3.341 4.390
19 HG22 VAL 2 2HG2 VAL 2 -5.345 4.760 3.639
20 HG23 VAL 2 3HG2 VAL 2 -6.187 4.924 5.192
21 HA JKH 3 HA CAP 3 -6.514 0.788 0.067
22 HD2 JKH 3 1HD CAP 3 -7.148 4.230 -1.253
23 HD3 JKH 3 2HD CAP 3 -5.732 4.898 -0.417
24 HB3 JKH 3 2HB CAP 3 -4.842 1.094 -2.058
25 HB2 JKH 3 1HB CAP 3 -6.536 1.530 -2.146
26 HG JKH 3 HG CAP 3 -5.587 3.586 -2.896
27 HG22 JKH 3 1HG2 CAP 3 -3.595 4.539 -1.687
28 HG21 JKH 3 2HG2 CAP 3 -3.541 3.157 -0.764
29 HG23 JKH 3 3HG2 CAP 3 -3.255 3.068 -2.370
30 H TRP 4 H TRP 4 -5.627 1.238 2.365
31 HA TRP 4 HA TRP 4 -2.817 1.260 3.039
32 HB2 TRP 4 1HB TRP 4 -3.399 -0.155 5.026
33 HB3 TRP 4 2HB TRP 4 -4.311 1.312 4.843
34 HD1 TRP 4 HD1 TRP 4 -6.957 1.167 4.598
35 HE1 TRP 4 HE1 TRP 4 -8.803 -0.724 4.651
36 HE3 TRP 4 HE3 TRP 4 -3.737 -2.803 4.436
37 HZ2 TRP 4 HZ2 TRP 4 -8.683 -3.557 4.552
38 HZ3 TRP 4 HZ3 TRP 4 -4.673 -5.088 4.338
39 HH2 TRP 4 HH2 TRP 4 -7.105 -5.464 4.406
40 H PHE 5 H PHE 5 -4.612 -1.440 1.715
41 HA PHE 5 HA PHE 5 -2.610 -3.476 1.646
42 HB2 PHE 5 2HB PHE 5 -5.194 -2.968 0.341
43 HB3 PHE 5 1HB PHE 5 -4.116 -3.350 -0.944
44 HD1 PHE 5 HD1 PHE 5 -6.391 -4.823 1.180
45 HD2 PHE 5 HD2 PHE 5 -2.372 -5.465 -0.225
46 HE1 PHE 5 HE1 PHE 5 -6.580 -7.217 1.704
47 HE2 PHE 5 HE2 PHE 5 -2.569 -7.851 0.331
48 HZ PHE 5 HZ PHE 5 -4.669 -8.734 1.296
49 H SER 6 H SER 6 -2.943 -0.879 -0.743
50 HA SER 6 HA SER 6 -0.373 -1.560 -2.179
51 HB2 SER 6 2HB SER 6 -2.579 0.491 -2.585
52 HB3 SER 6 1HB SER 6 -0.967 0.999 -3.066
53 HG SER 6 HG SER 6 -1.713 -0.074 -4.792
54 H LYS 7 H LYS 7 -1.367 0.794 0.286
55 HA LYS 7 HA LYS 7 1.143 2.300 0.425
56 HB2 LYS 7 2HB LYS 7 -1.353 2.428 1.794
57 HB3 LYS 7 1HB LYS 7 -0.320 1.846 3.048
58 HG2 LYS 7 2HG LYS 7 1.111 4.063 1.762
59 HG3 LYS 7 1HG LYS 7 -0.580 4.523 1.806
60 HD2 LYS 7 2HD LYS 7 -0.494 3.855 4.378
61 HD3 LYS 7 1HD LYS 7 1.245 3.781 4.193
62 HE2 LYS 7 2HE LYS 7 -0.573 6.253 3.686
63 HE3 LYS 7 1HE LYS 7 0.415 5.995 5.116
64 HZ1 LYS 7 1HZ LYS 7 1.586 7.460 3.453
65 HZ2 LYS 7 2HZ LYS 7 2.451 6.074 3.675
66 HZ3 LYS 7 3HZ LYS 7 1.545 6.264 2.328
67 H PHE 8 H PHE 8 0.287 -0.753 1.956
68 HA PHE 8 HA PHE 8 3.042 -0.989 3.175
69 HB2 PHE 8 2HB PHE 8 0.980 -1.800 4.437
70 HB3 PHE 8 1HB PHE 8 0.731 -3.007 3.201
71 HD1 PHE 8 HD1 PHE 8 0.933 -4.937 4.623
72 HD2 PHE 8 HD2 PHE 8 4.173 -2.089 4.621
73 HE1 PHE 8 HE1 PHE 8 2.365 -6.524 5.840
74 HE2 PHE 8 HE2 PHE 8 5.582 -3.695 5.780
75 HZ PHE 8 HZ PHE 8 4.696 -5.916 6.402
76 H LEU 9 H LEU 9 1.144 -2.968 0.782
77 HA LEU 9 HA LEU 9 3.235 -4.694 -0.040
78 HB2 LEU 9 2HB LEU 9 0.695 -4.672 -0.630
79 HB3 LEU 9 1HB LEU 9 1.084 -3.602 -1.936
80 HG LEU 9 HG LEU 9 2.888 -5.958 -2.009
81 HD11 LEU 9 1HD1 LEU 9 1.024 -7.028 -0.648
82 HD12 LEU 9 2HD1 LEU 9 -0.048 -6.816 -2.055
83 HD13 LEU 9 3HD1 LEU 9 1.418 -7.825 -2.180
84 HD21 LEU 9 1HD2 LEU 9 2.399 -4.667 -4.049
85 HD22 LEU 9 2HD2 LEU 9 1.765 -6.307 -4.290
86 HD23 LEU 9 3HD2 LEU 9 0.651 -4.976 -3.909
87 H GLY 10 H GLY 10 2.688 -1.454 -1.443
88 HA2 GLY 10 1HA GLY 10 4.702 -1.217 -3.491
89 HA3 GLY 10 2HA GLY 10 4.290 0.054 -2.363
90 H ARG 11 H ARG 11 5.256 -1.016 -0.006
91 HA ARG 11 HA ARG 11 8.263 -0.680 -0.223
92 HB2 ARG 11 2HB ARG 11 6.311 -1.047 2.135
93 HB3 ARG 11 1HB ARG 11 8.029 -1.096 2.374
94 HG2 ARG 11 2HG ARG 11 6.788 1.342 0.938
95 HG3 ARG 11 1HG ARG 11 6.639 1.173 2.656
96 HD2 ARG 11 2HD ARG 11 9.492 0.657 2.069
97 HD3 ARG 11 1HD ARG 11 9.013 1.951 1.017
98 HE ARG 11 HE ARG 11 8.941 3.422 2.909
99 HH11 ARG 11 1HH1 ARG 11 8.529 0.707 5.832
100 HH12 ARG 11 2HH1 ARG 11 8.535 0.192 4.073
101 HH21 ARG 11 1HH2 ARG 11 8.735 2.797 6.249
102 HH22 ARG 11 2HH2 ARG 11 8.922 4.013 4.904
103 H ILE 12 H ILE 12 6.015 -3.330 0.602
104 HA ILE 12 HA ILE 12 8.062 -5.365 1.243
105 HB ILE 12 HB ILE 12 5.316 -5.938 0.032
106 HG12 ILE 12 2HG1 ILE 12 5.893 -5.584 3.033
107 HG13 ILE 12 1HG1 ILE 12 4.963 -4.502 2.044
108 HG21 ILE 12 1HG2 ILE 12 6.271 -7.921 2.062
109 HG22 ILE 12 2HG2 ILE 12 5.691 -8.164 0.406
110 HG23 ILE 12 3HG2 ILE 12 7.397 -7.806 0.712
111 HD11 ILE 12 1HD1 ILE 12 4.006 -6.887 3.390
112 HD12 ILE 12 2HD1 ILE 12 3.065 -5.651 2.521
113 HD13 ILE 12 3HD1 ILE 12 3.672 -7.076 1.658
114 H LEU 13 H LEU 13 6.554 -4.474 -1.855
115 HA LEU 13 HA LEU 13 7.923 -6.397 -3.594
116 HB2 LEU 13 2HB LEU 13 6.533 -3.686 -3.961
117 HB3 LEU 13 1HB LEU 13 7.437 -4.298 -5.289
118 HG LEU 13 HG LEU 13 4.887 -4.729 -5.151
119 HD11 LEU 13 1HD1 LEU 13 5.553 -7.334 -6.081
120 HD12 LEU 13 2HD1 LEU 13 5.512 -5.840 -7.025
121 HD13 LEU 13 3HD1 LEU 13 7.043 -6.411 -6.330
122 HD21 LEU 13 1HD2 LEU 13 4.817 -5.799 -2.877
123 HD22 LEU 13 2HD2 LEU 13 4.065 -6.800 -4.133
124 HD23 LEU 13 3HD2 LEU 13 5.675 -7.208 -3.499
125 HN1 NH2 14 1HN NH2 14 10.742 -3.429 -3.405
126 HN2 NH2 14 2HN NH2 14 9.012 -2.972 -2.969
Start of MODEL 12
1 H1 PHE 1 1H PHE 1 -12.121 7.055 0.455
2 H2 PHE 1 2H PHE 1 -11.323 6.307 1.688
3 H3 PHE 1 3H PHE 1 -10.912 7.841 1.254
4 HA PHE 1 HA PHE 1 -10.547 5.416 -0.472
5 HB2 PHE 1 2HB PHE 1 -10.081 8.407 -1.033
6 HB3 PHE 1 1HB PHE 1 -9.077 7.211 -1.772
7 HD1 PHE 1 HD1 PHE 1 -12.876 7.497 -1.222
8 HD2 PHE 1 HD2 PHE 1 -9.651 6.730 -3.985
9 HE1 PHE 1 HE1 PHE 1 -14.487 7.046 -2.990
10 HE2 PHE 1 HE2 PHE 1 -11.299 6.347 -5.763
11 HZ PHE 1 HZ PHE 1 -13.718 6.487 -5.269
12 H VAL 2 H VAL 2 -9.462 4.297 1.108
13 HA VAL 2 HA VAL 2 -6.617 5.232 1.636
14 HB VAL 2 HB VAL 2 -7.750 5.820 3.647
15 HG11 VAL 2 1HG1 VAL 2 -8.472 3.410 5.053
16 HG12 VAL 2 2HG1 VAL 2 -9.549 4.698 4.486
17 HG13 VAL 2 3HG1 VAL 2 -9.254 3.273 3.478
18 HG21 VAL 2 1HG2 VAL 2 -5.360 4.746 3.655
19 HG22 VAL 2 2HG2 VAL 2 -6.209 4.928 5.203
20 HG23 VAL 2 3HG2 VAL 2 -6.130 3.339 4.412
21 HA JKH 3 HA CAP 3 -6.515 0.820 0.037
22 HD2 JKH 3 1HD CAP 3 -7.164 4.273 -1.252
23 HD3 JKH 3 2HD CAP 3 -5.748 4.937 -0.413
24 HB3 JKH 3 2HB CAP 3 -4.840 1.152 -2.085
25 HB2 JKH 3 1HB CAP 3 -6.539 1.578 -2.170
26 HG JKH 3 HG CAP 3 -5.606 3.647 -2.904
27 HG22 JKH 3 1HG2 CAP 3 -3.613 4.597 -1.696
28 HG21 JKH 3 2HG2 CAP 3 -3.551 3.207 -0.783
29 HG23 JKH 3 3HG2 CAP 3 -3.274 3.132 -2.391
30 H TRP 4 H TRP 4 -5.636 1.258 2.338
31 HA TRP 4 HA TRP 4 -2.826 1.287 3.020
32 HB2 TRP 4 1HB TRP 4 -3.410 -0.153 4.992
33 HB3 TRP 4 2HB TRP 4 -4.326 1.314 4.825
34 HD1 TRP 4 HD1 TRP 4 -6.971 1.163 4.569
35 HE1 TRP 4 HE1 TRP 4 -8.811 -0.733 4.600
36 HE3 TRP 4 HE3 TRP 4 -3.740 -2.797 4.375
37 HZ2 TRP 4 HZ2 TRP 4 -8.684 -3.564 4.477
38 HZ3 TRP 4 HZ3 TRP 4 -4.670 -5.083 4.252
39 HH2 TRP 4 HH2 TRP 4 -7.101 -5.465 4.315
40 H PHE 5 H PHE 5 -4.617 -1.416 1.679
41 HA PHE 5 HA PHE 5 -2.586 -3.424 1.583
42 HB2 PHE 5 2HB PHE 5 -5.160 -2.881 0.194
43 HB3 PHE 5 1HB PHE 5 -4.041 -3.401 -1.003
44 HD1 PHE 5 HD1 PHE 5 -2.364 -5.479 0.164
45 HD2 PHE 5 HD2 PHE 5 -6.545 -4.695 0.825
46 HE1 PHE 5 HE1 PHE 5 -2.704 -7.816 0.834
47 HE2 PHE 5 HE2 PHE 5 -6.876 -7.048 1.453
48 HZ PHE 5 HZ PHE 5 -4.957 -8.610 1.479
49 H SER 6 H SER 6 -2.948 -0.778 -0.738
50 HA SER 6 HA SER 6 -0.434 -1.498 -2.243
51 HB2 SER 6 2HB SER 6 -2.722 -0.085 -3.038
52 HB3 SER 6 1HB SER 6 -1.636 1.246 -2.679
53 HG SER 6 HG SER 6 -0.363 0.619 -4.309
54 H LYS 7 H LYS 7 -1.374 0.865 0.220
55 HA LYS 7 HA LYS 7 1.137 2.381 0.388
56 HB2 LYS 7 2HB LYS 7 -1.379 2.495 1.731
57 HB3 LYS 7 1HB LYS 7 -0.331 1.917 2.996
58 HG2 LYS 7 2HG LYS 7 1.260 3.914 2.436
59 HG3 LYS 7 1HG LYS 7 0.021 4.475 1.310
60 HD2 LYS 7 2HD LYS 7 -1.662 4.623 3.183
61 HD3 LYS 7 1HD LYS 7 -0.472 4.012 4.335
62 HE2 LYS 7 2HE LYS 7 0.990 5.976 4.079
63 HE3 LYS 7 1HE LYS 7 0.106 6.565 2.671
64 HZ1 LYS 7 1HZ LYS 7 -0.620 7.753 4.733
65 HZ2 LYS 7 2HZ LYS 7 -1.888 6.913 4.117
66 HZ3 LYS 7 3HZ LYS 7 -1.099 6.346 5.437
67 H PHE 8 H PHE 8 0.248 -0.689 1.910
68 HA PHE 8 HA PHE 8 2.992 -0.937 3.142
69 HB2 PHE 8 2HB PHE 8 0.925 -1.765 4.374
70 HB3 PHE 8 1HB PHE 8 0.688 -2.961 3.125
71 HD1 PHE 8 HD1 PHE 8 0.860 -4.887 4.564
72 HD2 PHE 8 HD2 PHE 8 4.135 -2.080 4.549
73 HE1 PHE 8 HE1 PHE 8 2.276 -6.490 5.777
74 HE2 PHE 8 HE2 PHE 8 5.526 -3.700 5.707
75 HZ PHE 8 HZ PHE 8 4.616 -5.909 6.334
76 H LEU 9 H LEU 9 1.135 -2.899 0.705
77 HA LEU 9 HA LEU 9 3.246 -4.611 -0.107
78 HB2 LEU 9 2HB LEU 9 0.725 -4.614 -0.717
79 HB3 LEU 9 1HB LEU 9 1.095 -3.502 -1.995
80 HG LEU 9 HG LEU 9 2.931 -5.841 -2.108
81 HD11 LEU 9 1HD1 LEU 9 1.164 -7.048 -0.871
82 HD12 LEU 9 2HD1 LEU 9 -0.040 -6.606 -2.108
83 HD13 LEU 9 3HD1 LEU 9 1.337 -7.663 -2.526
84 HD21 LEU 9 1HD2 LEU 9 1.972 -6.088 -4.431
85 HD22 LEU 9 2HD2 LEU 9 0.740 -4.861 -4.057
86 HD23 LEU 9 3HD2 LEU 9 2.466 -4.419 -4.092
87 H GLY 10 H GLY 10 2.723 -1.349 -1.441
88 HA2 GLY 10 1HA GLY 10 4.775 -1.090 -3.459
89 HA3 GLY 10 2HA GLY 10 4.332 0.171 -2.332
90 H ARG 11 H ARG 11 5.256 -0.946 0.047
91 HA ARG 11 HA ARG 11 8.269 -0.610 -0.113
92 HB2 ARG 11 2HB ARG 11 6.272 -1.028 2.203
93 HB3 ARG 11 1HB ARG 11 7.981 -1.111 2.481
94 HG2 ARG 11 2HG ARG 11 6.722 1.397 1.191
95 HG3 ARG 11 1HG ARG 11 6.733 1.119 2.916
96 HD2 ARG 11 2HD ARG 11 9.459 0.606 2.241
97 HD3 ARG 11 1HD ARG 11 9.025 1.827 1.039
98 HE ARG 11 HE ARG 11 8.017 2.811 3.571
99 HH11 ARG 11 1HH1 ARG 11 12.002 3.106 3.482
100 HH12 ARG 11 2HH1 ARG 11 11.146 2.006 2.297
101 HH21 ARG 11 1HH2 ARG 11 10.817 4.208 4.881
102 HH22 ARG 11 2HH2 ARG 11 9.003 4.047 4.900
103 H ILE 12 H ILE 12 5.997 -3.265 0.602
104 HA ILE 12 HA ILE 12 8.034 -5.319 1.226
105 HB ILE 12 HB ILE 12 5.298 -5.877 -0.014
106 HG12 ILE 12 2HG1 ILE 12 5.842 -5.533 2.995
107 HG13 ILE 12 1HG1 ILE 12 4.917 -4.453 1.999
108 HG21 ILE 12 1HG2 ILE 12 6.243 -7.863 2.025
109 HG22 ILE 12 2HG2 ILE 12 5.651 -8.107 0.374
110 HG23 ILE 12 3HG2 ILE 12 7.359 -7.758 0.669
111 HD11 ILE 12 1HD1 ILE 12 3.961 -6.853 3.325
112 HD12 ILE 12 2HD1 ILE 12 3.022 -5.606 2.471
113 HD13 ILE 12 3HD1 ILE 12 3.631 -7.020 1.590
114 H LEU 13 H LEU 13 6.655 -4.277 -1.878
115 HA LEU 13 HA LEU 13 7.935 -6.330 -3.569
116 HB2 LEU 13 2HB LEU 13 6.498 -3.661 -3.995
117 HB3 LEU 13 1HB LEU 13 7.379 -4.302 -5.321
118 HG LEU 13 HG LEU 13 4.820 -4.813 -5.048
119 HD11 LEU 13 1HD1 LEU 13 5.117 -7.040 -6.291
120 HD12 LEU 13 2HD1 LEU 13 6.068 -5.691 -6.941
121 HD13 LEU 13 3HD1 LEU 13 6.861 -6.939 -5.946
122 HD21 LEU 13 1HD2 LEU 13 4.151 -6.910 -3.973
123 HD22 LEU 13 2HD2 LEU 13 5.814 -7.278 -3.473
124 HD23 LEU 13 3HD2 LEU 13 4.963 -5.912 -2.750
125 HN1 NH2 14 1HN NH2 14 11.294 -5.053 -3.277
126 HN2 NH2 14 2HN NH2 14 10.079 -6.204 -2.526
Start of MODEL 13
1 H1 PHE 1 1H PHE 1 -11.653 7.547 -0.702
2 H2 PHE 1 2H PHE 1 -10.746 8.075 0.584
3 H3 PHE 1 3H PHE 1 -10.015 7.737 -0.844
4 HA PHE 1 HA PHE 1 -11.347 5.738 0.929
5 HB2 PHE 1 2HB PHE 1 -9.873 5.346 -1.781
6 HB3 PHE 1 1HB PHE 1 -10.296 4.036 -0.720
7 HD1 PHE 1 HD1 PHE 1 -11.529 6.003 -3.431
8 HD2 PHE 1 HD2 PHE 1 -12.824 3.782 0.027
9 HE1 PHE 1 HE1 PHE 1 -13.809 5.890 -4.342
10 HE2 PHE 1 HE2 PHE 1 -15.098 3.690 -0.896
11 HZ PHE 1 HZ PHE 1 -15.601 4.747 -3.074
12 H VAL 2 H VAL 2 -9.911 4.178 1.887
13 HA VAL 2 HA VAL 2 -6.991 5.119 2.145
14 HB VAL 2 HB VAL 2 -8.514 3.691 4.365
15 HG11 VAL 2 1HG1 VAL 2 -6.199 5.211 5.331
16 HG12 VAL 2 2HG1 VAL 2 -6.469 3.465 5.340
17 HG13 VAL 2 3HG1 VAL 2 -5.653 4.228 3.969
18 HG21 VAL 2 1HG2 VAL 2 -8.420 5.968 5.612
19 HG22 VAL 2 2HG2 VAL 2 -8.101 6.725 4.028
20 HG23 VAL 2 3HG2 VAL 2 -9.614 5.839 4.315
21 HA JKH 3 HA CAP 3 -6.781 0.714 0.446
22 HD2 JKH 3 1HD CAP 3 -7.769 4.116 -0.773
23 HD3 JKH 3 2HD CAP 3 -6.325 4.864 -0.059
24 HB3 JKH 3 2HB CAP 3 -5.366 1.149 -1.841
25 HB2 JKH 3 1HB CAP 3 -7.089 1.463 -1.756
26 HG JKH 3 HG CAP 3 -6.377 3.586 -2.567
27 HG22 JKH 3 1HG2 CAP 3 -4.337 4.677 -1.558
28 HG21 JKH 3 2HG2 CAP 3 -4.068 3.276 -0.701
29 HG23 JKH 3 3HG2 CAP 3 -3.975 3.257 -2.332
30 H TRP 4 H TRP 4 -5.680 1.219 2.635
31 HA TRP 4 HA TRP 4 -2.800 1.410 2.940
32 HB2 TRP 4 1HB TRP 4 -3.006 -0.028 4.955
33 HB3 TRP 4 2HB TRP 4 -4.047 1.366 4.925
34 HD1 TRP 4 HD1 TRP 4 -6.691 1.010 4.980
35 HE1 TRP 4 HE1 TRP 4 -8.354 -1.030 5.251
36 HE3 TRP 4 HE3 TRP 4 -3.191 -2.675 4.423
37 HZ2 TRP 4 HZ2 TRP 4 -8.004 -3.846 5.146
38 HZ3 TRP 4 HZ3 TRP 4 -3.929 -5.032 4.458
39 HH2 TRP 4 HH2 TRP 4 -6.296 -5.614 4.821
40 H PHE 5 H PHE 5 -4.664 -1.342 1.796
41 HA PHE 5 HA PHE 5 -2.593 -3.238 1.429
42 HB2 PHE 5 2HB PHE 5 -5.306 -3.194 0.779
43 HB3 PHE 5 1HB PHE 5 -4.637 -3.117 -0.815
44 HD1 PHE 5 HD1 PHE 5 -5.426 -5.246 1.961
45 HD2 PHE 5 HD2 PHE 5 -2.764 -4.983 -1.409
46 HE1 PHE 5 HE1 PHE 5 -4.949 -7.650 2.141
47 HE2 PHE 5 HE2 PHE 5 -2.286 -7.389 -1.207
48 HZ PHE 5 HZ PHE 5 -3.376 -8.727 0.566
49 H SER 6 H SER 6 -3.207 -0.466 -0.656
50 HA SER 6 HA SER 6 -0.855 -1.185 -2.494
51 HB2 SER 6 2HB SER 6 -2.854 1.152 -2.674
52 HB3 SER 6 1HB SER 6 -1.594 0.776 -3.849
53 HG SER 6 HG SER 6 -2.681 -1.381 -3.978
54 H LYS 7 H LYS 7 -1.235 0.394 0.421
55 HA LYS 7 HA LYS 7 0.990 2.433 -0.033
56 HB2 LYS 7 2HB LYS 7 -1.390 2.408 1.665
57 HB3 LYS 7 1HB LYS 7 -0.069 2.246 2.755
58 HG2 LYS 7 2HG LYS 7 0.726 4.403 0.986
59 HG3 LYS 7 1HG LYS 7 -1.006 4.537 1.065
60 HD2 LYS 7 2HD LYS 7 -0.589 5.809 2.965
61 HD3 LYS 7 1HD LYS 7 -0.611 4.267 3.758
62 HE2 LYS 7 2HE LYS 7 1.402 5.229 4.594
63 HE3 LYS 7 1HE LYS 7 1.996 4.118 3.361
64 HZ1 LYS 7 1HZ LYS 7 2.998 6.394 3.055
65 HZ2 LYS 7 2HZ LYS 7 2.034 6.069 1.761
66 HZ3 LYS 7 3HZ LYS 7 1.507 7.080 2.930
67 H PHE 8 H PHE 8 0.403 -0.552 1.761
68 HA PHE 8 HA PHE 8 3.232 -0.632 2.836
69 HB2 PHE 8 2HB PHE 8 2.620 -2.295 4.226
70 HB3 PHE 8 1HB PHE 8 1.081 -1.532 4.082
71 HD1 PHE 8 HD1 PHE 8 2.634 -4.655 4.170
72 HD2 PHE 8 HD2 PHE 8 -0.364 -2.625 1.877
73 HE1 PHE 8 HE1 PHE 8 1.786 -6.815 3.340
74 HE2 PHE 8 HE2 PHE 8 -1.166 -4.801 1.029
75 HZ PHE 8 HZ PHE 8 -0.114 -6.874 1.754
76 H LEU 9 H LEU 9 1.395 -2.299 0.295
77 HA LEU 9 HA LEU 9 3.183 -4.289 -0.480
78 HB2 LEU 9 2HB LEU 9 0.803 -3.762 -1.254
79 HB3 LEU 9 1HB LEU 9 1.456 -2.704 -2.464
80 HG LEU 9 HG LEU 9 2.750 -5.396 -2.563
81 HD11 LEU 9 1HD1 LEU 9 0.637 -6.645 -3.360
82 HD12 LEU 9 2HD1 LEU 9 0.833 -6.408 -1.613
83 HD13 LEU 9 3HD1 LEU 9 -0.310 -5.391 -2.521
84 HD21 LEU 9 1HD2 LEU 9 1.004 -3.888 -4.620
85 HD22 LEU 9 2HD2 LEU 9 2.782 -3.828 -4.494
86 HD23 LEU 9 3HD2 LEU 9 1.978 -5.338 -4.953
87 H GLY 10 H GLY 10 3.353 -0.988 -1.793
88 HA2 GLY 10 1HA GLY 10 5.622 -1.050 -3.579
89 HA3 GLY 10 2HA GLY 10 5.287 0.270 -2.483
90 H ARG 11 H ARG 11 5.763 -0.978 -0.045
91 HA ARG 11 HA ARG 11 8.783 -1.176 0.115
92 HB2 ARG 11 2HB ARG 11 6.530 -1.258 2.215
93 HB3 ARG 11 1HB ARG 11 8.168 -1.627 2.651
94 HG2 ARG 11 2HG ARG 11 7.482 1.043 1.269
95 HG3 ARG 11 1HG ARG 11 7.249 0.791 2.982
96 HD2 ARG 11 2HD ARG 11 9.915 -0.140 2.664
97 HD3 ARG 11 1HD ARG 11 9.870 1.075 1.421
98 HE ARG 11 HE ARG 11 9.826 1.489 4.382
99 HH11 ARG 11 1HH1 ARG 11 8.669 4.660 2.237
100 HH12 ARG 11 2HH1 ARG 11 8.801 3.008 1.452
101 HH21 ARG 11 1HH2 ARG 11 9.149 4.811 4.327
102 HH22 ARG 11 2HH2 ARG 11 9.674 3.345 5.271
103 H ILE 12 H ILE 12 6.032 -3.413 0.702
104 HA ILE 12 HA ILE 12 7.612 -5.791 1.403
105 HB ILE 12 HB ILE 12 4.888 -5.612 0.027
106 HG12 ILE 12 2HG1 ILE 12 4.833 -4.500 2.246
107 HG13 ILE 12 1HG1 ILE 12 3.799 -5.888 2.118
108 HG21 ILE 12 1HG2 ILE 12 5.620 -7.898 -0.356
109 HG22 ILE 12 2HG2 ILE 12 6.134 -8.095 1.333
110 HG23 ILE 12 3HG2 ILE 12 4.405 -7.943 0.930
111 HD11 ILE 12 1HD1 ILE 12 6.556 -6.018 3.525
112 HD12 ILE 12 2HD1 ILE 12 5.025 -5.672 4.362
113 HD13 ILE 12 3HD1 ILE 12 5.265 -7.246 3.575
114 H LEU 13 H LEU 13 6.611 -4.648 -1.810
115 HA LEU 13 HA LEU 13 7.843 -6.757 -3.431
116 HB2 LEU 13 2HB LEU 13 7.012 -3.834 -3.879
117 HB3 LEU 13 1HB LEU 13 7.914 -4.619 -5.116
118 HG LEU 13 HG LEU 13 5.311 -4.561 -5.241
119 HD11 LEU 13 1HD1 LEU 13 5.317 -6.893 -6.437
120 HD12 LEU 13 2HD1 LEU 13 6.482 -5.681 -6.997
121 HD13 LEU 13 3HD1 LEU 13 7.022 -7.014 -5.944
122 HD21 LEU 13 1HD2 LEU 13 4.825 -5.661 -3.003
123 HD22 LEU 13 2HD2 LEU 13 4.030 -6.453 -4.372
124 HD23 LEU 13 3HD2 LEU 13 5.468 -7.183 -3.621
125 HN1 NH2 14 1HN NH2 14 11.101 -4.480 -2.581
126 HN2 NH2 14 2HN NH2 14 9.459 -3.844 -2.073
Start of MODEL 14
1 H1 PHE 1 1H PHE 1 -12.548 5.956 0.279
2 H2 PHE 1 2H PHE 1 -11.710 4.761 1.045
3 H3 PHE 1 3H PHE 1 -11.770 6.284 1.682
4 HA PHE 1 HA PHE 1 -10.396 5.590 -0.870
5 HB2 PHE 1 2HB PHE 1 -9.738 7.985 -0.968
6 HB3 PHE 1 1HB PHE 1 -11.441 7.749 -1.137
7 HD1 PHE 1 HD1 PHE 1 -8.769 9.036 1.192
8 HD2 PHE 1 HD2 PHE 1 -13.010 8.596 0.579
9 HE1 PHE 1 HE1 PHE 1 -9.213 10.477 3.135
10 HE2 PHE 1 HE2 PHE 1 -13.431 10.021 2.531
11 HZ PHE 1 HZ PHE 1 -11.540 10.962 3.817
12 H VAL 2 H VAL 2 -9.750 4.242 1.695
13 HA VAL 2 HA VAL 2 -6.875 5.273 2.013
14 HB VAL 2 HB VAL 2 -8.446 3.832 4.201
15 HG11 VAL 2 1HG1 VAL 2 -6.587 4.219 5.637
16 HG12 VAL 2 2HG1 VAL 2 -5.798 3.738 4.132
17 HG13 VAL 2 3HG1 VAL 2 -5.859 5.458 4.597
18 HG21 VAL 2 1HG2 VAL 2 -8.365 6.116 5.461
19 HG22 VAL 2 2HG2 VAL 2 -8.013 6.876 3.885
20 HG23 VAL 2 3HG2 VAL 2 -9.535 6.003 4.141
21 HA JKH 3 HA CAP 3 -6.760 0.858 0.307
22 HD2 JKH 3 1HD CAP 3 -7.651 4.263 -0.916
23 HD3 JKH 3 2HD CAP 3 -6.195 4.997 -0.213
24 HB3 JKH 3 2HB CAP 3 -5.328 1.251 -1.979
25 HB2 JKH 3 1HB CAP 3 -7.040 1.612 -1.896
26 HG JKH 3 HG CAP 3 -6.272 3.713 -2.710
27 HG22 JKH 3 1HG2 CAP 3 -4.201 4.747 -1.729
28 HG21 JKH 3 2HG2 CAP 3 -3.959 3.334 -0.864
29 HG23 JKH 3 3HG2 CAP 3 -3.884 3.318 -2.493
30 H TRP 4 H TRP 4 -5.642 1.352 2.502
31 HA TRP 4 HA TRP 4 -2.760 1.499 2.831
32 HB2 TRP 4 1HB TRP 4 -3.031 0.077 4.864
33 HB3 TRP 4 2HB TRP 4 -4.044 1.489 4.813
34 HD1 TRP 4 HD1 TRP 4 -6.695 1.179 4.857
35 HE1 TRP 4 HE1 TRP 4 -8.397 -0.834 5.113
36 HE3 TRP 4 HE3 TRP 4 -3.256 -2.571 4.343
37 HZ2 TRP 4 HZ2 TRP 4 -8.098 -3.654 5.007
38 HZ3 TRP 4 HZ3 TRP 4 -4.036 -4.914 4.379
39 HH2 TRP 4 HH2 TRP 4 -6.418 -5.452 4.709
40 H PHE 5 H PHE 5 -4.663 -1.230 1.695
41 HA PHE 5 HA PHE 5 -2.615 -3.151 1.355
42 HB2 PHE 5 2HB PHE 5 -5.296 -3.139 0.755
43 HB3 PHE 5 1HB PHE 5 -4.700 -2.942 -0.862
44 HD1 PHE 5 HD1 PHE 5 -2.938 -4.753 -1.727
45 HD2 PHE 5 HD2 PHE 5 -5.205 -5.235 1.897
46 HE1 PHE 5 HE1 PHE 5 -2.413 -7.158 -1.706
47 HE2 PHE 5 HE2 PHE 5 -4.676 -7.634 1.903
48 HZ PHE 5 HZ PHE 5 -3.280 -8.603 0.106
49 H SER 6 H SER 6 -3.145 -0.369 -0.712
50 HA SER 6 HA SER 6 -0.758 -1.086 -2.508
51 HB2 SER 6 2HB SER 6 -3.170 0.755 -2.849
52 HB3 SER 6 1HB SER 6 -1.655 1.310 -3.531
53 HG SER 6 HG SER 6 -2.694 -1.307 -3.970
54 H LYS 7 H LYS 7 -1.179 0.448 0.429
55 HA LYS 7 HA LYS 7 1.092 2.463 -0.015
56 HB2 LYS 7 2HB LYS 7 -0.560 2.073 2.543
57 HB3 LYS 7 1HB LYS 7 0.642 3.306 2.237
58 HG2 LYS 7 2HG LYS 7 -0.990 3.956 0.153
59 HG3 LYS 7 1HG LYS 7 -2.157 3.032 1.071
60 HD2 LYS 7 2HD LYS 7 -1.160 4.694 3.099
61 HD3 LYS 7 1HD LYS 7 -0.849 5.693 1.685
62 HE2 LYS 7 2HE LYS 7 -3.386 5.369 1.049
63 HE3 LYS 7 1HE LYS 7 -3.590 4.528 2.593
64 HZ1 LYS 7 1HZ LYS 7 -4.062 6.970 2.861
65 HZ2 LYS 7 2HZ LYS 7 -2.711 6.601 3.724
66 HZ3 LYS 7 3HZ LYS 7 -2.574 7.364 2.288
67 H PHE 8 H PHE 8 0.407 -0.519 1.761
68 HA PHE 8 HA PHE 8 3.218 -0.661 2.872
69 HB2 PHE 8 2HB PHE 8 2.551 -2.313 4.245
70 HB3 PHE 8 1HB PHE 8 1.030 -1.522 4.079
71 HD1 PHE 8 HD1 PHE 8 -0.396 -2.584 1.838
72 HD2 PHE 8 HD2 PHE 8 2.525 -4.667 4.180
73 HE1 PHE 8 HE1 PHE 8 -1.226 -4.748 0.975
74 HE2 PHE 8 HE2 PHE 8 1.655 -6.811 3.334
75 HZ PHE 8 HZ PHE 8 -0.221 -6.837 1.718
76 H LEU 9 H LEU 9 1.390 -2.268 0.287
77 HA LEU 9 HA LEU 9 3.154 -4.295 -0.459
78 HB2 LEU 9 2HB LEU 9 0.796 -3.737 -1.264
79 HB3 LEU 9 1HB LEU 9 1.475 -2.685 -2.465
80 HG LEU 9 HG LEU 9 2.737 -5.393 -2.550
81 HD11 LEU 9 1HD1 LEU 9 0.618 -6.616 -3.373
82 HD12 LEU 9 2HD1 LEU 9 0.791 -6.378 -1.624
83 HD13 LEU 9 3HD1 LEU 9 -0.323 -5.347 -2.550
84 HD21 LEU 9 1HD2 LEU 9 2.018 -5.324 -4.947
85 HD22 LEU 9 2HD2 LEU 9 1.023 -3.884 -4.634
86 HD23 LEU 9 3HD2 LEU 9 2.797 -3.804 -4.477
87 H GLY 10 H GLY 10 3.400 -0.996 -1.770
88 HA2 GLY 10 1HA GLY 10 5.690 -1.100 -3.531
89 HA3 GLY 10 2HA GLY 10 5.365 0.224 -2.435
90 H ARG 11 H ARG 11 5.781 -0.988 0.001
91 HA ARG 11 HA ARG 11 8.785 -1.251 0.225
92 HB2 ARG 11 2HB ARG 11 6.471 -1.244 2.263
93 HB3 ARG 11 1HB ARG 11 8.079 -1.660 2.755
94 HG2 ARG 11 2HG ARG 11 7.521 1.024 1.330
95 HG3 ARG 11 1HG ARG 11 7.255 0.789 3.039
96 HD2 ARG 11 2HD ARG 11 9.900 -0.287 2.635
97 HD3 ARG 11 1HD ARG 11 9.848 1.060 1.498
98 HE ARG 11 HE ARG 11 8.786 2.196 3.882
99 HH11 ARG 11 1HH1 ARG 11 12.616 1.305 4.597
100 HH12 ARG 11 2HH1 ARG 11 11.747 0.510 3.198
101 HH21 ARG 11 1HH2 ARG 11 11.536 2.704 5.799
102 HH22 ARG 11 2HH2 ARG 11 9.790 3.084 5.453
103 H ILE 12 H ILE 12 5.995 -3.450 0.748
104 HA ILE 12 HA ILE 12 7.541 -5.849 1.480
105 HB ILE 12 HB ILE 12 4.839 -5.635 0.067
106 HG12 ILE 12 2HG1 ILE 12 4.764 -4.529 2.290
107 HG13 ILE 12 1HG1 ILE 12 3.713 -5.901 2.140
108 HG21 ILE 12 1HG2 ILE 12 5.543 -7.930 -0.310
109 HG22 ILE 12 2HG2 ILE 12 6.036 -8.136 1.384
110 HG23 ILE 12 3HG2 ILE 12 4.314 -7.962 0.964
111 HD11 ILE 12 1HD1 ILE 12 4.899 -5.712 4.404
112 HD12 ILE 12 2HD1 ILE 12 5.143 -7.284 3.614
113 HD13 ILE 12 3HD1 ILE 12 6.444 -6.065 3.595
114 H LEU 13 H LEU 13 6.637 -4.659 -1.742
115 HA LEU 13 HA LEU 13 7.797 -6.834 -3.332
116 HB2 LEU 13 2HB LEU 13 7.009 -3.908 -3.828
117 HB3 LEU 13 1HB LEU 13 7.914 -4.711 -5.051
118 HG LEU 13 HG LEU 13 5.315 -4.624 -5.191
119 HD11 LEU 13 1HD1 LEU 13 5.283 -6.891 -6.426
120 HD12 LEU 13 2HD1 LEU 13 6.576 -5.776 -6.904
121 HD13 LEU 13 3HD1 LEU 13 6.942 -7.156 -5.837
122 HD21 LEU 13 1HD2 LEU 13 4.010 -6.495 -4.313
123 HD22 LEU 13 2HD2 LEU 13 5.437 -7.243 -3.560
124 HD23 LEU 13 3HD2 LEU 13 4.817 -5.713 -2.942
125 HN1 NH2 14 1HN NH2 14 11.082 -4.415 -2.862
126 HN2 NH2 14 2HN NH2 14 9.427 -3.615 -2.740
Start of MODEL 15
1 H1 PHE 1 1H PHE 1 -12.178 7.476 0.142
2 H2 PHE 1 2H PHE 1 -11.411 7.404 1.613
3 H3 PHE 1 3H PHE 1 -10.673 8.124 0.334
4 HA PHE 1 HA PHE 1 -11.295 5.227 0.471
5 HB2 PHE 1 2HB PHE 1 -9.914 5.004 -1.590
6 HB3 PHE 1 1HB PHE 1 -11.401 5.843 -1.835
7 HD1 PHE 1 HD1 PHE 1 -7.680 6.240 -1.838
8 HD2 PHE 1 HD2 PHE 1 -11.429 8.270 -2.417
9 HE1 PHE 1 HE1 PHE 1 -6.495 8.175 -2.780
10 HE2 PHE 1 HE2 PHE 1 -10.225 10.203 -3.335
11 HZ PHE 1 HZ PHE 1 -7.760 10.165 -3.512
12 H VAL 2 H VAL 2 -9.855 4.035 1.619
13 HA VAL 2 HA VAL 2 -7.015 5.129 2.023
14 HB VAL 2 HB VAL 2 -8.515 3.692 4.259
15 HG11 VAL 2 1HG1 VAL 2 -5.880 3.610 4.146
16 HG12 VAL 2 2HG1 VAL 2 -5.916 5.351 4.501
17 HG13 VAL 2 3HG1 VAL 2 -6.608 4.187 5.651
18 HG21 VAL 2 1HG2 VAL 2 -8.039 6.739 3.972
19 HG22 VAL 2 2HG2 VAL 2 -9.600 5.906 4.122
20 HG23 VAL 2 3HG2 VAL 2 -8.495 5.943 5.503
21 HA JKH 3 HA CAP 3 -6.745 0.725 0.356
22 HD2 JKH 3 1HD CAP 3 -7.803 4.085 -0.858
23 HD3 JKH 3 2HD CAP 3 -6.372 4.881 -0.168
24 HB3 JKH 3 2HB CAP 3 -5.345 1.174 -1.941
25 HB2 JKH 3 1HB CAP 3 -7.070 1.458 -1.842
26 HG JKH 3 HG CAP 3 -6.405 3.589 -2.668
27 HG22 JKH 3 1HG2 CAP 3 -4.399 4.742 -1.638
28 HG21 JKH 3 2HG2 CAP 3 -4.069 3.335 -0.829
29 HG23 JKH 3 3HG2 CAP 3 -3.998 3.368 -2.472
30 H TRP 4 H TRP 4 -5.655 1.259 2.532
31 HA TRP 4 HA TRP 4 -2.775 1.460 2.858
32 HB2 TRP 4 1HB TRP 4 -3.001 0.049 4.892
33 HB3 TRP 4 2HB TRP 4 -4.040 1.442 4.840
34 HD1 TRP 4 HD1 TRP 4 -6.681 1.088 4.911
35 HE1 TRP 4 HE1 TRP 4 -8.346 -0.949 5.211
36 HE3 TRP 4 HE3 TRP 4 -3.186 -2.611 4.397
37 HZ2 TRP 4 HZ2 TRP 4 -8.000 -3.765 5.142
38 HZ3 TRP 4 HZ3 TRP 4 -3.928 -4.966 4.464
39 HH2 TRP 4 HH2 TRP 4 -6.296 -5.539 4.837
40 H PHE 5 H PHE 5 -4.649 -1.318 1.767
41 HA PHE 5 HA PHE 5 -2.574 -3.208 1.428
42 HB2 PHE 5 2HB PHE 5 -5.259 -3.247 0.834
43 HB3 PHE 5 1HB PHE 5 -4.663 -3.081 -0.786
44 HD1 PHE 5 HD1 PHE 5 -2.752 -4.863 -1.527
45 HD2 PHE 5 HD2 PHE 5 -5.277 -5.352 1.925
46 HE1 PHE 5 HE1 PHE 5 -2.198 -7.257 -1.448
47 HE2 PHE 5 HE2 PHE 5 -4.733 -7.748 1.972
48 HZ PHE 5 HZ PHE 5 -3.188 -8.705 0.295
49 H SER 6 H SER 6 -3.180 -0.472 -0.679
50 HA SER 6 HA SER 6 -0.855 -1.240 -2.528
51 HB2 SER 6 2HB SER 6 -1.643 0.310 -4.107
52 HB3 SER 6 1HB SER 6 -3.111 -0.409 -3.487
53 HG SER 6 HG SER 6 -2.936 1.447 -1.872
54 H LYS 7 H LYS 7 -1.203 0.403 0.356
55 HA LYS 7 HA LYS 7 1.035 2.416 -0.127
56 HB2 LYS 7 2HB LYS 7 -1.343 2.457 1.545
57 HB3 LYS 7 1HB LYS 7 -0.056 2.227 2.661
58 HG2 LYS 7 2HG LYS 7 0.859 4.390 0.930
59 HG3 LYS 7 1HG LYS 7 -0.882 4.571 1.014
60 HD2 LYS 7 2HD LYS 7 -0.516 4.256 3.670
61 HD3 LYS 7 1HD LYS 7 1.165 4.600 3.317
62 HE2 LYS 7 2HE LYS 7 0.779 6.870 2.699
63 HE3 LYS 7 1HE LYS 7 -0.858 6.578 2.129
64 HZ1 LYS 7 1HZ LYS 7 -0.958 7.714 4.317
65 HZ2 LYS 7 2HZ LYS 7 -1.569 6.200 4.490
66 HZ3 LYS 7 3HZ LYS 7 -0.066 6.532 5.042
67 H PHE 8 H PHE 8 0.421 -0.529 1.736
68 HA PHE 8 HA PHE 8 3.246 -0.609 2.816
69 HB2 PHE 8 2HB PHE 8 2.623 -2.245 4.231
70 HB3 PHE 8 1HB PHE 8 1.087 -1.480 4.069
71 HD1 PHE 8 HD1 PHE 8 -0.353 -2.602 1.879
72 HD2 PHE 8 HD2 PHE 8 2.634 -4.604 4.208
73 HE1 PHE 8 HE1 PHE 8 -1.156 -4.790 1.056
74 HE2 PHE 8 HE2 PHE 8 1.786 -6.774 3.406
75 HZ PHE 8 HZ PHE 8 -0.108 -6.854 1.813
76 H LEU 9 H LEU 9 1.409 -2.295 0.290
77 HA LEU 9 HA LEU 9 3.195 -4.305 -0.451
78 HB2 LEU 9 2HB LEU 9 0.816 -3.792 -1.238
79 HB3 LEU 9 1HB LEU 9 1.470 -2.750 -2.462
80 HG LEU 9 HG LEU 9 2.775 -5.440 -2.506
81 HD11 LEU 9 1HD1 LEU 9 0.765 -6.784 -3.206
82 HD12 LEU 9 2HD1 LEU 9 0.762 -6.326 -1.492
83 HD13 LEU 9 3HD1 LEU 9 -0.290 -5.462 -2.638
84 HD21 LEU 9 1HD2 LEU 9 2.783 -3.877 -4.468
85 HD22 LEU 9 2HD2 LEU 9 2.042 -5.428 -4.900
86 HD23 LEU 9 3HD2 LEU 9 1.010 -4.011 -4.606
87 H GLY 10 H GLY 10 3.369 -1.021 -1.813
88 HA2 GLY 10 1HA GLY 10 5.642 -1.113 -3.591
89 HA3 GLY 10 2HA GLY 10 5.307 0.224 -2.515
90 H ARG 11 H ARG 11 5.779 -0.976 -0.057
91 HA ARG 11 HA ARG 11 8.797 -1.180 0.111
92 HB2 ARG 11 2HB ARG 11 6.537 -1.220 2.205
93 HB3 ARG 11 1HB ARG 11 8.171 -1.590 2.654
94 HG2 ARG 11 2HG ARG 11 7.502 1.062 1.228
95 HG3 ARG 11 1HG ARG 11 7.266 0.838 2.943
96 HD2 ARG 11 2HD ARG 11 9.923 -0.111 2.660
97 HD3 ARG 11 1HD ARG 11 9.894 1.068 1.381
98 HE ARG 11 HE ARG 11 9.807 1.564 4.337
99 HH11 ARG 11 1HH1 ARG 11 8.791 4.696 2.068
100 HH12 ARG 11 2HH1 ARG 11 8.898 3.019 1.335
101 HH21 ARG 11 1HH2 ARG 11 9.224 4.899 4.162
102 HH22 ARG 11 2HH2 ARG 11 9.684 3.449 5.164
103 H ILE 12 H ILE 12 6.045 -3.407 0.727
104 HA ILE 12 HA ILE 12 7.624 -5.774 1.469
105 HB ILE 12 HB ILE 12 4.903 -5.616 0.085
106 HG12 ILE 12 2HG1 ILE 12 4.844 -4.471 2.288
107 HG13 ILE 12 1HG1 ILE 12 3.808 -5.859 2.176
108 HG21 ILE 12 1HG2 ILE 12 6.142 -8.079 1.435
109 HG22 ILE 12 2HG2 ILE 12 4.416 -7.933 1.019
110 HG23 ILE 12 3HG2 ILE 12 5.639 -7.909 -0.261
111 HD11 ILE 12 1HD1 ILE 12 5.266 -7.197 3.659
112 HD12 ILE 12 2HD1 ILE 12 6.561 -5.973 3.593
113 HD13 ILE 12 3HD1 ILE 12 5.029 -5.609 4.420
114 H LEU 13 H LEU 13 6.632 -4.679 -1.763
115 HA LEU 13 HA LEU 13 7.863 -6.818 -3.345
116 HB2 LEU 13 2HB LEU 13 7.030 -3.904 -3.847
117 HB3 LEU 13 1HB LEU 13 7.934 -4.709 -5.069
118 HG LEU 13 HG LEU 13 5.330 -4.658 -5.195
119 HD11 LEU 13 1HD1 LEU 13 6.484 -5.801 -6.938
120 HD12 LEU 13 2HD1 LEU 13 7.061 -7.104 -5.867
121 HD13 LEU 13 3HD1 LEU 13 5.348 -7.024 -6.343
122 HD21 LEU 13 1HD2 LEU 13 4.848 -5.721 -2.939
123 HD22 LEU 13 2HD2 LEU 13 4.055 -6.540 -4.294
124 HD23 LEU 13 3HD2 LEU 13 5.496 -7.251 -3.529
125 HN1 NH2 14 1HN NH2 14 11.114 -4.500 -2.558
126 HN2 NH2 14 2HN NH2 14 9.466 -3.837 -2.105
Start of MODEL 16
1 H1 PHE 1 1H PHE 1 -12.254 7.211 0.272
2 H2 PHE 1 2H PHE 1 -11.556 6.825 1.720
3 H3 PHE 1 3H PHE 1 -10.892 7.999 0.781
4 HA PHE 1 HA PHE 1 -11.026 5.097 0.082
5 HB2 PHE 1 2HB PHE 1 -10.259 7.568 -1.565
6 HB3 PHE 1 1HB PHE 1 -9.209 6.213 -1.722
7 HD1 PHE 1 HD1 PHE 1 -12.649 7.370 -2.413
8 HD2 PHE 1 HD2 PHE 1 -9.952 4.018 -2.637
9 HE1 PHE 1 HE1 PHE 1 -14.188 6.216 -3.945
10 HE2 PHE 1 HE2 PHE 1 -11.500 2.889 -4.177
11 HZ PHE 1 HZ PHE 1 -13.619 3.980 -4.831
12 H VAL 2 H VAL 2 -9.850 4.171 1.670
13 HA VAL 2 HA VAL 2 -6.962 5.170 2.019
14 HB VAL 2 HB VAL 2 -8.509 3.741 4.231
15 HG11 VAL 2 1HG1 VAL 2 -5.891 5.369 4.483
16 HG12 VAL 2 2HG1 VAL 2 -6.615 4.241 5.650
17 HG13 VAL 2 3HG1 VAL 2 -5.889 3.620 4.162
18 HG21 VAL 2 1HG2 VAL 2 -9.593 5.937 4.130
19 HG22 VAL 2 2HG2 VAL 2 -8.457 6.003 5.484
20 HG23 VAL 2 3HG2 VAL 2 -8.044 6.785 3.935
21 HA JKH 3 HA CAP 3 -6.781 0.747 0.367
22 HD2 JKH 3 1HD CAP 3 -7.777 4.132 -0.892
23 HD3 JKH 3 2HD CAP 3 -6.322 4.889 -0.209
24 HB3 JKH 3 2HB CAP 3 -5.372 1.143 -1.931
25 HB2 JKH 3 1HB CAP 3 -7.096 1.451 -1.844
26 HG JKH 3 HG CAP 3 -6.401 3.565 -2.697
27 HG22 JKH 3 1HG2 CAP 3 -4.362 4.655 -1.746
28 HG21 JKH 3 2HG2 CAP 3 -4.096 3.267 -0.838
29 HG23 JKH 3 3HG2 CAP 3 -4.006 3.203 -2.470
30 H TRP 4 H TRP 4 -5.686 1.266 2.541
31 HA TRP 4 HA TRP 4 -2.811 1.463 2.851
32 HB2 TRP 4 1HB TRP 4 -3.023 0.051 4.892
33 HB3 TRP 4 2HB TRP 4 -4.057 1.449 4.841
34 HD1 TRP 4 HD1 TRP 4 -6.701 1.106 4.896
35 HE1 TRP 4 HE1 TRP 4 -8.378 -0.924 5.174
36 HE3 TRP 4 HE3 TRP 4 -3.220 -2.605 4.393
37 HZ2 TRP 4 HZ2 TRP 4 -8.043 -3.742 5.093
38 HZ3 TRP 4 HZ3 TRP 4 -3.971 -4.957 4.441
39 HH2 TRP 4 HH2 TRP 4 -6.344 -5.522 4.793
40 H PHE 5 H PHE 5 -4.670 -1.301 1.738
41 HA PHE 5 HA PHE 5 -2.595 -3.201 1.414
42 HB2 PHE 5 2HB PHE 5 -5.276 -3.228 0.806
43 HB3 PHE 5 1HB PHE 5 -4.675 -3.041 -0.810
44 HD1 PHE 5 HD1 PHE 5 -2.833 -4.828 -1.613
45 HD2 PHE 5 HD2 PHE 5 -5.229 -5.327 1.926
46 HE1 PHE 5 HE1 PHE 5 -2.281 -7.226 -1.565
47 HE2 PHE 5 HE2 PHE 5 -4.682 -7.723 1.950
48 HZ PHE 5 HZ PHE 5 -3.205 -8.678 0.212
49 H SER 6 H SER 6 -3.176 -0.439 -0.672
50 HA SER 6 HA SER 6 -0.822 -1.170 -2.491
51 HB2 SER 6 2HB SER 6 -3.337 0.225 -3.022
52 HB3 SER 6 1HB SER 6 -2.070 1.419 -3.178
53 HG SER 6 HG SER 6 -1.041 0.086 -4.677
54 H LYS 7 H LYS 7 -1.173 0.363 0.420
55 HA LYS 7 HA LYS 7 1.024 2.463 -0.007
56 HB2 LYS 7 2HB LYS 7 -0.734 1.887 2.449
57 HB3 LYS 7 1HB LYS 7 0.444 3.147 2.378
58 HG2 LYS 7 2HG LYS 7 -1.614 3.235 0.143
59 HG3 LYS 7 1HG LYS 7 -2.283 3.445 1.741
60 HD2 LYS 7 2HD LYS 7 -1.029 5.426 2.206
61 HD3 LYS 7 1HD LYS 7 0.182 5.097 0.998
62 HE2 LYS 7 2HE LYS 7 -2.458 5.331 -0.367
63 HE3 LYS 7 1HE LYS 7 -2.328 6.660 0.764
64 HZ1 LYS 7 1HZ LYS 7 -1.259 7.204 -1.455
65 HZ2 LYS 7 2HZ LYS 7 -0.134 7.243 -0.260
66 HZ3 LYS 7 3HZ LYS 7 -0.193 5.961 -1.268
67 H PHE 8 H PHE 8 0.420 -0.538 1.777
68 HA PHE 8 HA PHE 8 3.241 -0.636 2.865
69 HB2 PHE 8 2HB PHE 8 2.598 -2.285 4.257
70 HB3 PHE 8 1HB PHE 8 1.067 -1.512 4.095
71 HD1 PHE 8 HD1 PHE 8 -0.368 -2.603 1.878
72 HD2 PHE 8 HD2 PHE 8 2.594 -4.639 4.210
73 HE1 PHE 8 HE1 PHE 8 -1.181 -4.782 1.037
74 HE2 PHE 8 HE2 PHE 8 1.739 -6.798 3.387
75 HZ PHE 8 HZ PHE 8 -0.149 -6.856 1.786
76 H LEU 9 H LEU 9 1.403 -2.291 0.310
77 HA LEU 9 HA LEU 9 3.184 -4.300 -0.434
78 HB2 LEU 9 2HB LEU 9 0.814 -3.769 -1.233
79 HB3 LEU 9 1HB LEU 9 1.480 -2.729 -2.450
80 HG LEU 9 HG LEU 9 2.753 -5.441 -2.493
81 HD11 LEU 9 1HD1 LEU 9 0.723 -6.740 -3.224
82 HD12 LEU 9 2HD1 LEU 9 0.726 -6.301 -1.506
83 HD13 LEU 9 3HD1 LEU 9 -0.309 -5.406 -2.644
84 HD21 LEU 9 1HD2 LEU 9 1.109 -3.853 -4.578
85 HD22 LEU 9 2HD2 LEU 9 2.883 -3.982 -4.468
86 HD23 LEU 9 3HD2 LEU 9 1.918 -5.401 -4.909
87 H GLY 10 H GLY 10 3.387 -1.014 -1.776
88 HA2 GLY 10 1HA GLY 10 5.665 -1.111 -3.555
89 HA3 GLY 10 2HA GLY 10 5.334 0.221 -2.472
90 H ARG 11 H ARG 11 5.777 -0.968 -0.026
91 HA ARG 11 HA ARG 11 8.786 -1.192 0.181
92 HB2 ARG 11 2HB ARG 11 6.484 -1.193 2.233
93 HB3 ARG 11 1HB ARG 11 8.099 -1.587 2.719
94 HG2 ARG 11 2HG ARG 11 7.500 1.080 1.279
95 HG3 ARG 11 1HG ARG 11 7.253 0.852 2.993
96 HD2 ARG 11 2HD ARG 11 9.900 -0.193 2.598
97 HD3 ARG 11 1HD ARG 11 9.835 1.119 1.420
98 HE ARG 11 HE ARG 11 8.772 2.314 3.779
99 HH11 ARG 11 1HH1 ARG 11 12.615 1.481 4.492
100 HH12 ARG 11 2HH1 ARG 11 11.746 0.642 3.119
101 HH21 ARG 11 1HH2 ARG 11 11.528 2.899 5.665
102 HH22 ARG 11 2HH2 ARG 11 9.776 3.252 5.320
103 H ILE 12 H ILE 12 6.024 -3.417 0.745
104 HA ILE 12 HA ILE 12 7.601 -5.791 1.489
105 HB ILE 12 HB ILE 12 4.888 -5.621 0.091
106 HG12 ILE 12 2HG1 ILE 12 4.816 -4.494 2.303
107 HG13 ILE 12 1HG1 ILE 12 3.779 -5.878 2.173
108 HG21 ILE 12 1HG2 ILE 12 6.120 -8.096 1.424
109 HG22 ILE 12 2HG2 ILE 12 4.394 -7.944 1.013
110 HG23 ILE 12 3HG2 ILE 12 5.614 -7.911 -0.269
111 HD11 ILE 12 1HD1 ILE 12 4.979 -5.652 4.428
112 HD12 ILE 12 2HD1 ILE 12 5.227 -7.231 3.653
113 HD13 ILE 12 3HD1 ILE 12 6.520 -6.004 3.610
114 H LEU 13 H LEU 13 6.660 -4.645 -1.738
115 HA LEU 13 HA LEU 13 7.835 -6.819 -3.318
116 HB2 LEU 13 2HB LEU 13 6.999 -3.909 -3.828
117 HB3 LEU 13 1HB LEU 13 7.915 -4.699 -5.051
118 HG LEU 13 HG LEU 13 5.322 -4.666 -5.187
119 HD11 LEU 13 1HD1 LEU 13 5.481 -7.232 -6.177
120 HD12 LEU 13 2HD1 LEU 13 6.183 -5.822 -6.983
121 HD13 LEU 13 3HD1 LEU 13 7.212 -6.889 -6.000
122 HD21 LEU 13 1HD2 LEU 13 4.841 -5.710 -2.925
123 HD22 LEU 13 2HD2 LEU 13 4.035 -6.520 -4.279
124 HD23 LEU 13 3HD2 LEU 13 5.466 -7.250 -3.515
125 HN1 NH2 14 1HN NH2 14 11.094 -4.363 -2.875
126 HN2 NH2 14 2HN NH2 14 9.431 -3.582 -2.737
Start of MODEL 17
1 H1 PHE 1 1H PHE 1 -12.225 7.271 0.527
2 H2 PHE 1 2H PHE 1 -11.471 6.800 1.920
3 H3 PHE 1 3H PHE 1 -10.852 8.040 1.032
4 HA PHE 1 HA PHE 1 -10.996 5.193 0.116
5 HB2 PHE 1 2HB PHE 1 -9.918 7.724 -1.302
6 HB3 PHE 1 1HB PHE 1 -9.397 6.129 -1.730
7 HD1 PHE 1 HD1 PHE 1 -12.539 8.199 -1.440
8 HD2 PHE 1 HD2 PHE 1 -10.679 4.746 -3.224
9 HE1 PHE 1 HE1 PHE 1 -14.538 7.816 -2.803
10 HE2 PHE 1 HE2 PHE 1 -12.669 4.419 -4.629
11 HZ PHE 1 HZ PHE 1 -14.610 5.937 -4.409
12 H VAL 2 H VAL 2 -9.739 4.162 1.585
13 HA VAL 2 HA VAL 2 -6.876 5.197 1.970
14 HB VAL 2 HB VAL 2 -8.427 3.816 4.210
15 HG11 VAL 2 1HG1 VAL 2 -6.518 4.166 5.589
16 HG12 VAL 2 2HG1 VAL 2 -5.750 3.741 4.053
17 HG13 VAL 2 3HG1 VAL 2 -5.829 5.439 4.560
18 HG21 VAL 2 1HG2 VAL 2 -8.429 6.026 5.454
19 HG22 VAL 2 2HG2 VAL 2 -7.837 6.849 3.985
20 HG23 VAL 2 3HG2 VAL 2 -9.440 6.087 4.006
21 HA JKH 3 HA CAP 3 -6.763 0.751 0.373
22 HD2 JKH 3 1HD CAP 3 -7.717 4.132 -0.914
23 HD3 JKH 3 2HD CAP 3 -6.256 4.885 -0.241
24 HB3 JKH 3 2HB CAP 3 -5.359 1.108 -1.935
25 HB2 JKH 3 1HB CAP 3 -7.077 1.450 -1.841
26 HG JKH 3 HG CAP 3 -6.335 3.542 -2.712
27 HG22 JKH 3 1HG2 CAP 3 -4.267 4.619 -1.750
28 HG21 JKH 3 2HG2 CAP 3 -4.021 3.243 -0.849
29 HG23 JKH 3 3HG2 CAP 3 -3.935 3.169 -2.477
30 H TRP 4 H TRP 4 -5.634 1.288 2.541
31 HA TRP 4 HA TRP 4 -2.748 1.442 2.824
32 HB2 TRP 4 1HB TRP 4 -2.982 0.039 4.881
33 HB3 TRP 4 2HB TRP 4 -3.980 1.461 4.825
34 HD1 TRP 4 HD1 TRP 4 -6.630 1.190 4.909
35 HE1 TRP 4 HE1 TRP 4 -8.357 -0.791 5.234
36 HE3 TRP 4 HE3 TRP 4 -3.252 -2.619 4.438
37 HZ2 TRP 4 HZ2 TRP 4 -8.099 -3.617 5.186
38 HZ3 TRP 4 HZ3 TRP 4 -4.060 -4.951 4.581
39 HH2 TRP 4 HH2 TRP 4 -6.447 -5.446 4.923
40 H PHE 5 H PHE 5 -4.659 -1.315 1.765
41 HA PHE 5 HA PHE 5 -2.569 -3.223 1.449
42 HB2 PHE 5 2HB PHE 5 -5.247 -3.374 1.055
43 HB3 PHE 5 1HB PHE 5 -4.831 -3.073 -0.608
44 HD1 PHE 5 HD1 PHE 5 -4.397 -5.089 -1.919
45 HD2 PHE 5 HD2 PHE 5 -3.712 -5.200 2.321
46 HE1 PHE 5 HE1 PHE 5 -3.863 -7.493 -2.053
47 HE2 PHE 5 HE2 PHE 5 -3.158 -7.584 2.174
48 HZ PHE 5 HZ PHE 5 -3.234 -8.741 -0.011
49 H SER 6 H SER 6 -3.188 -0.514 -0.664
50 HA SER 6 HA SER 6 -0.884 -1.343 -2.513
51 HB2 SER 6 2HB SER 6 -3.315 -0.347 -3.316
52 HB3 SER 6 1HB SER 6 -2.512 1.184 -2.993
53 HG SER 6 HG SER 6 -1.648 -0.934 -4.693
54 H LYS 7 H LYS 7 -1.255 0.324 0.329
55 HA LYS 7 HA LYS 7 0.946 2.370 -0.187
56 HB2 LYS 7 2HB LYS 7 -1.499 2.565 1.236
57 HB3 LYS 7 1HB LYS 7 -0.419 2.215 2.535
58 HG2 LYS 7 2HG LYS 7 0.418 4.395 0.540
59 HG3 LYS 7 1HG LYS 7 -1.014 4.723 1.463
60 HD2 LYS 7 2HD LYS 7 0.053 4.945 3.508
61 HD3 LYS 7 1HD LYS 7 1.273 3.724 3.165
62 HE2 LYS 7 2HE LYS 7 2.336 5.408 1.454
63 HE3 LYS 7 1HE LYS 7 1.229 6.637 2.080
64 HZ1 LYS 7 1HZ LYS 7 3.408 6.621 3.326
65 HZ2 LYS 7 2HZ LYS 7 2.191 6.216 4.362
66 HZ3 LYS 7 3HZ LYS 7 3.180 5.054 3.765
67 H PHE 8 H PHE 8 0.371 -0.533 1.723
68 HA PHE 8 HA PHE 8 3.201 -0.565 2.803
69 HB2 PHE 8 2HB PHE 8 2.594 -2.205 4.224
70 HB3 PHE 8 1HB PHE 8 1.046 -1.466 4.055
71 HD1 PHE 8 HD1 PHE 8 -0.341 -2.622 1.822
72 HD2 PHE 8 HD2 PHE 8 2.614 -4.564 4.245
73 HE1 PHE 8 HE1 PHE 8 -1.101 -4.821 1.007
74 HE2 PHE 8 HE2 PHE 8 1.801 -6.751 3.457
75 HZ PHE 8 HZ PHE 8 -0.057 -6.869 1.825
76 H LEU 9 H LEU 9 1.384 -2.286 0.282
77 HA LEU 9 HA LEU 9 3.178 -4.290 -0.422
78 HB2 LEU 9 2HB LEU 9 0.793 -3.766 -1.266
79 HB3 LEU 9 1HB LEU 9 1.495 -2.783 -2.507
80 HG LEU 9 HG LEU 9 2.777 -5.480 -2.411
81 HD11 LEU 9 1HD1 LEU 9 1.006 -6.980 -2.812
82 HD12 LEU 9 2HD1 LEU 9 0.481 -6.058 -1.394
83 HD13 LEU 9 3HD1 LEU 9 -0.215 -5.693 -2.991
84 HD21 LEU 9 1HD2 LEU 9 2.914 -4.107 -4.452
85 HD22 LEU 9 2HD2 LEU 9 1.968 -5.556 -4.845
86 HD23 LEU 9 3HD2 LEU 9 1.142 -4.005 -4.585
87 H GLY 10 H GLY 10 3.346 -1.040 -1.849
88 HA2 GLY 10 1HA GLY 10 5.622 -1.141 -3.619
89 HA3 GLY 10 2HA GLY 10 5.278 0.207 -2.558
90 H ARG 11 H ARG 11 5.750 -0.956 -0.092
91 HA ARG 11 HA ARG 11 8.769 -1.131 0.080
92 HB2 ARG 11 2HB ARG 11 6.503 -1.113 2.168
93 HB3 ARG 11 1HB ARG 11 8.139 -1.462 2.625
94 HG2 ARG 11 2HG ARG 11 7.539 1.128 1.051
95 HG3 ARG 11 1HG ARG 11 7.162 1.025 2.741
96 HD2 ARG 11 2HD ARG 11 9.937 0.001 2.446
97 HD3 ARG 11 1HD ARG 11 9.797 1.386 1.411
98 HE ARG 11 HE ARG 11 9.725 2.811 3.340
99 HH11 ARG 11 1HH1 ARG 11 8.708 0.096 6.110
100 HH12 ARG 11 2HH1 ARG 11 8.801 -0.369 4.339
101 HH21 ARG 11 1HH2 ARG 11 9.147 2.128 6.622
102 HH22 ARG 11 2HH2 ARG 11 9.608 3.344 5.346
103 H ILE 12 H ILE 12 6.037 -3.373 0.722
104 HA ILE 12 HA ILE 12 7.640 -5.711 1.523
105 HB ILE 12 HB ILE 12 4.921 -5.597 0.129
106 HG12 ILE 12 2HG1 ILE 12 4.858 -4.434 2.324
107 HG13 ILE 12 1HG1 ILE 12 3.826 -5.824 2.218
108 HG21 ILE 12 1HG2 ILE 12 5.669 -7.885 -0.201
109 HG22 ILE 12 2HG2 ILE 12 6.195 -8.038 1.489
110 HG23 ILE 12 3HG2 ILE 12 4.463 -7.915 1.095
111 HD11 ILE 12 1HD1 ILE 12 5.260 -7.147 3.720
112 HD12 ILE 12 2HD1 ILE 12 6.578 -5.951 3.633
113 HD13 ILE 12 3HD1 ILE 12 5.057 -5.547 4.464
114 H LEU 13 H LEU 13 6.644 -4.681 -1.728
115 HA LEU 13 HA LEU 13 7.902 -6.825 -3.282
116 HB2 LEU 13 2HB LEU 13 7.036 -3.926 -3.803
117 HB3 LEU 13 1HB LEU 13 7.970 -4.709 -5.012
118 HG LEU 13 HG LEU 13 5.402 -4.692 -5.192
119 HD11 LEU 13 1HD1 LEU 13 5.917 -7.508 -5.880
120 HD12 LEU 13 2HD1 LEU 13 5.776 -6.087 -6.926
121 HD13 LEU 13 3HD1 LEU 13 7.352 -6.546 -6.254
122 HD21 LEU 13 1HD2 LEU 13 5.501 -7.239 -3.456
123 HD22 LEU 13 2HD2 LEU 13 4.847 -5.689 -2.934
124 HD23 LEU 13 3HD2 LEU 13 4.086 -6.551 -4.283
125 HN1 NH2 14 1HN NH2 14 11.128 -4.451 -2.523
126 HN2 NH2 14 2HN NH2 14 9.469 -3.798 -2.091
Start of MODEL 18
1 H1 PHE 1 1H PHE 1 -12.211 7.385 0.245
2 H2 PHE 1 2H PHE 1 -11.498 7.118 1.712
3 H3 PHE 1 3H PHE 1 -10.769 8.105 0.619
4 HA PHE 1 HA PHE 1 -11.175 5.170 0.297
5 HB2 PHE 1 2HB PHE 1 -10.505 7.319 -1.718
6 HB3 PHE 1 1HB PHE 1 -9.248 6.150 -1.646
7 HD1 PHE 1 HD1 PHE 1 -12.925 6.518 -2.207
8 HD2 PHE 1 HD2 PHE 1 -9.541 3.871 -2.522
9 HE1 PHE 1 HE1 PHE 1 -14.261 4.948 -3.543
10 HE2 PHE 1 HE2 PHE 1 -10.893 2.322 -3.870
11 HZ PHE 1 HZ PHE 1 -13.251 2.853 -4.380
12 H VAL 2 H VAL 2 -9.847 4.110 1.639
13 HA VAL 2 HA VAL 2 -6.984 5.161 2.009
14 HB VAL 2 HB VAL 2 -8.487 3.726 4.243
15 HG11 VAL 2 1HG1 VAL 2 -5.820 3.706 4.068
16 HG12 VAL 2 2HG1 VAL 2 -5.926 5.406 4.573
17 HG13 VAL 2 3HG1 VAL 2 -6.582 4.121 5.609
18 HG21 VAL 2 1HG2 VAL 2 -8.365 6.051 5.469
19 HG22 VAL 2 2HG2 VAL 2 -8.133 6.766 3.853
20 HG23 VAL 2 3HG2 VAL 2 -9.615 5.862 4.230
21 HA JKH 3 HA CAP 3 -6.771 0.743 0.363
22 HD2 JKH 3 1HD CAP 3 -7.762 4.136 -0.881
23 HD3 JKH 3 2HD CAP 3 -6.315 4.892 -0.182
24 HB3 JKH 3 2HB CAP 3 -5.365 1.154 -1.929
25 HB2 JKH 3 1HB CAP 3 -7.086 1.477 -1.842
26 HG JKH 3 HG CAP 3 -6.360 3.590 -2.677
27 HG22 JKH 3 1HG2 CAP 3 -4.314 4.679 -1.682
28 HG21 JKH 3 2HG2 CAP 3 -4.057 3.295 -0.797
29 HG23 JKH 3 3HG2 CAP 3 -3.954 3.243 -2.425
30 H TRP 4 H TRP 4 -5.666 1.274 2.548
31 HA TRP 4 HA TRP 4 -2.782 1.464 2.848
32 HB2 TRP 4 1HB TRP 4 -3.000 0.059 4.891
33 HB3 TRP 4 2HB TRP 4 -4.036 1.455 4.839
34 HD1 TRP 4 HD1 TRP 4 -6.681 1.107 4.903
35 HE1 TRP 4 HE1 TRP 4 -8.350 -0.927 5.204
36 HE3 TRP 4 HE3 TRP 4 -3.191 -2.597 4.404
37 HZ2 TRP 4 HZ2 TRP 4 -8.007 -3.744 5.142
38 HZ3 TRP 4 HZ3 TRP 4 -3.934 -4.951 4.480
39 HH2 TRP 4 HH2 TRP 4 -6.304 -5.521 4.848
40 H PHE 5 H PHE 5 -4.656 -1.301 1.745
41 HA PHE 5 HA PHE 5 -2.579 -3.198 1.420
42 HB2 PHE 5 2HB PHE 5 -5.264 -3.244 0.842
43 HB3 PHE 5 1HB PHE 5 -4.683 -3.067 -0.782
44 HD1 PHE 5 HD1 PHE 5 -5.150 -5.322 2.007
45 HD2 PHE 5 HD2 PHE 5 -2.880 -4.862 -1.618
46 HE1 PHE 5 HE1 PHE 5 -4.591 -7.714 2.047
47 HE2 PHE 5 HE2 PHE 5 -2.325 -7.260 -1.562
48 HZ PHE 5 HZ PHE 5 -3.179 -8.690 0.267
49 H SER 6 H SER 6 -3.183 -0.469 -0.705
50 HA SER 6 HA SER 6 -0.810 -1.195 -2.517
51 HB2 SER 6 2HB SER 6 -3.222 0.641 -2.864
52 HB3 SER 6 1HB SER 6 -1.707 1.193 -3.550
53 HG SER 6 HG SER 6 -3.217 -1.043 -4.239
54 H LYS 7 H LYS 7 -1.226 0.372 0.391
55 HA LYS 7 HA LYS 7 1.001 2.402 -0.086
56 HB2 LYS 7 2HB LYS 7 -1.427 2.537 1.448
57 HB3 LYS 7 1HB LYS 7 -0.243 2.265 2.668
58 HG2 LYS 7 2HG LYS 7 0.583 4.388 0.664
59 HG3 LYS 7 1HG LYS 7 -0.988 4.703 1.349
60 HD2 LYS 7 2HD LYS 7 -0.171 4.779 3.626
61 HD3 LYS 7 1HD LYS 7 1.382 4.048 3.200
62 HE2 LYS 7 2HE LYS 7 2.020 6.042 1.810
63 HE3 LYS 7 1HE LYS 7 0.449 6.801 2.091
64 HZ1 LYS 7 1HZ LYS 7 2.170 7.626 3.709
65 HZ2 LYS 7 2HZ LYS 7 0.968 6.856 4.526
66 HZ3 LYS 7 3HZ LYS 7 2.405 6.105 4.291
67 H PHE 8 H PHE 8 0.404 -0.535 1.744
68 HA PHE 8 HA PHE 8 3.235 -0.602 2.823
69 HB2 PHE 8 2HB PHE 8 2.620 -2.252 4.227
70 HB3 PHE 8 1HB PHE 8 1.082 -1.489 4.079
71 HD1 PHE 8 HD1 PHE 8 2.621 -4.607 4.204
72 HD2 PHE 8 HD2 PHE 8 -0.358 -2.601 1.869
73 HE1 PHE 8 HE1 PHE 8 1.770 -6.776 3.403
74 HE2 PHE 8 HE2 PHE 8 -1.168 -4.789 1.048
75 HZ PHE 8 HZ PHE 8 -0.123 -6.853 1.809
76 H LEU 9 H LEU 9 1.392 -2.277 0.286
77 HA LEU 9 HA LEU 9 3.171 -4.288 -0.447
78 HB2 LEU 9 2HB LEU 9 0.798 -3.756 -1.270
79 HB3 LEU 9 1HB LEU 9 1.480 -2.741 -2.498
80 HG LEU 9 HG LEU 9 2.760 -5.445 -2.461
81 HD11 LEU 9 1HD1 LEU 9 0.504 -6.065 -1.444
82 HD12 LEU 9 2HD1 LEU 9 -0.256 -5.575 -2.978
83 HD13 LEU 9 3HD1 LEU 9 0.936 -6.904 -2.944
84 HD21 LEU 9 1HD2 LEU 9 2.012 -5.470 -4.887
85 HD22 LEU 9 2HD2 LEU 9 1.087 -3.977 -4.614
86 HD23 LEU 9 3HD2 LEU 9 2.862 -3.970 -4.465
87 H GLY 10 H GLY 10 3.358 -1.021 -1.831
88 HA2 GLY 10 1HA GLY 10 5.646 -1.121 -3.594
89 HA3 GLY 10 2HA GLY 10 5.300 0.219 -2.524
90 H ARG 11 H ARG 11 5.732 -1.036 -0.051
91 HA ARG 11 HA ARG 11 8.752 -1.235 0.080
92 HB2 ARG 11 2HB ARG 11 6.682 -1.378 2.367
93 HB3 ARG 11 1HB ARG 11 8.418 -1.397 2.565
94 HG2 ARG 11 2HG ARG 11 6.705 0.977 1.640
95 HG3 ARG 11 1HG ARG 11 7.647 0.807 3.116
96 HD2 ARG 11 2HD ARG 11 9.732 0.507 1.385
97 HD3 ARG 11 1HD ARG 11 8.601 1.229 0.222
98 HE ARG 11 HE ARG 11 8.808 2.832 2.731
99 HH11 ARG 11 1HH1 ARG 11 11.465 3.719 -0.133
100 HH12 ARG 11 2HH1 ARG 11 10.470 2.190 -0.254
101 HH21 ARG 11 1HH2 ARG 11 11.172 4.982 1.568
102 HH22 ARG 11 2HH2 ARG 11 9.961 4.551 2.860
103 H ILE 12 H ILE 12 6.021 -3.430 0.732
104 HA ILE 12 HA ILE 12 7.606 -5.797 1.478
105 HB ILE 12 HB ILE 12 4.886 -5.627 0.089
106 HG12 ILE 12 2HG1 ILE 12 4.826 -4.484 2.290
107 HG13 ILE 12 1HG1 ILE 12 3.790 -5.870 2.180
108 HG21 ILE 12 1HG2 ILE 12 5.612 -7.919 -0.261
109 HG22 ILE 12 2HG2 ILE 12 6.130 -8.094 1.430
110 HG23 ILE 12 3HG2 ILE 12 4.400 -7.947 1.029
111 HD11 ILE 12 1HD1 ILE 12 6.546 -6.004 3.587
112 HD12 ILE 12 2HD1 ILE 12 5.028 -5.604 4.423
113 HD13 ILE 12 3HD1 ILE 12 5.230 -7.203 3.673
114 H LEU 13 H LEU 13 6.622 -4.686 -1.755
115 HA LEU 13 HA LEU 13 7.855 -6.821 -3.339
116 HB2 LEU 13 2HB LEU 13 7.020 -3.908 -3.838
117 HB3 LEU 13 1HB LEU 13 7.932 -4.707 -5.060
118 HG LEU 13 HG LEU 13 5.332 -4.664 -5.196
119 HD11 LEU 13 1HD1 LEU 13 7.177 -6.965 -5.956
120 HD12 LEU 13 2HD1 LEU 13 5.436 -7.171 -6.235
121 HD13 LEU 13 3HD1 LEU 13 6.288 -5.811 -6.979
122 HD21 LEU 13 1HD2 LEU 13 5.484 -7.247 -3.519
123 HD22 LEU 13 2HD2 LEU 13 4.836 -5.710 -2.943
124 HD23 LEU 13 3HD2 LEU 13 4.051 -6.537 -4.296
125 HN1 NH2 14 1HN NH2 14 11.110 -4.519 -2.541
126 HN2 NH2 14 2HN NH2 14 9.464 -3.856 -2.080
Start of MODEL 19
1 H1 PHE 1 1H PHE 1 -12.221 7.418 0.260
2 H2 PHE 1 2H PHE 1 -11.426 7.333 1.713
3 H3 PHE 1 3H PHE 1 -10.743 8.124 0.441
4 HA PHE 1 HA PHE 1 -11.259 5.205 0.503
5 HB2 PHE 1 2HB PHE 1 -9.915 5.075 -1.589
6 HB3 PHE 1 1HB PHE 1 -11.449 5.841 -1.770
7 HD1 PHE 1 HD1 PHE 1 -11.618 8.298 -2.237
8 HD2 PHE 1 HD2 PHE 1 -7.768 6.397 -1.944
9 HE1 PHE 1 HE1 PHE 1 -10.545 10.317 -3.126
10 HE2 PHE 1 HE2 PHE 1 -6.713 8.421 -2.870
11 HZ PHE 1 HZ PHE 1 -8.094 10.389 -3.438
12 H VAL 2 H VAL 2 -9.859 4.086 1.665
13 HA VAL 2 HA VAL 2 -6.989 5.087 2.024
14 HB VAL 2 HB VAL 2 -8.204 5.533 4.071
15 HG11 VAL 2 1HG1 VAL 2 -8.555 2.631 4.922
16 HG12 VAL 2 2HG1 VAL 2 -9.442 4.096 5.407
17 HG13 VAL 2 3HG1 VAL 2 -9.778 3.309 3.856
18 HG21 VAL 2 1HG2 VAL 2 -6.499 3.498 5.328
19 HG22 VAL 2 2HG2 VAL 2 -5.681 4.119 3.897
20 HG23 VAL 2 3HG2 VAL 2 -6.241 5.235 5.155
21 HA JKH 3 HA CAP 3 -6.755 0.712 0.321
22 HD2 JKH 3 1HD CAP 3 -7.777 4.111 -0.888
23 HD3 JKH 3 2HD CAP 3 -6.326 4.867 -0.197
24 HB3 JKH 3 2HB CAP 3 -5.356 1.146 -1.971
25 HB2 JKH 3 1HB CAP 3 -7.081 1.449 -1.876
26 HG JKH 3 HG CAP 3 -6.392 3.574 -2.703
27 HG22 JKH 3 1HG2 CAP 3 -4.331 4.653 -1.757
28 HG21 JKH 3 2HG2 CAP 3 -4.069 3.261 -0.860
29 HG23 JKH 3 3HG2 CAP 3 -3.995 3.206 -2.487
30 H TRP 4 H TRP 4 -5.666 1.258 2.515
31 HA TRP 4 HA TRP 4 -2.785 1.459 2.827
32 HB2 TRP 4 1HB TRP 4 -3.002 0.063 4.877
33 HB3 TRP 4 2HB TRP 4 -4.039 1.457 4.818
34 HD1 TRP 4 HD1 TRP 4 -6.678 1.108 4.883
35 HE1 TRP 4 HE1 TRP 4 -8.350 -0.921 5.200
36 HE3 TRP 4 HE3 TRP 4 -3.194 -2.600 4.401
37 HZ2 TRP 4 HZ2 TRP 4 -8.012 -3.738 5.144
38 HZ3 TRP 4 HZ3 TRP 4 -3.941 -4.953 4.483
39 HH2 TRP 4 HH2 TRP 4 -6.311 -5.518 4.855
40 H PHE 5 H PHE 5 -4.654 -1.317 1.752
41 HA PHE 5 HA PHE 5 -2.582 -3.215 1.419
42 HB2 PHE 5 2HB PHE 5 -5.299 -3.166 0.748
43 HB3 PHE 5 1HB PHE 5 -4.610 -3.140 -0.839
44 HD1 PHE 5 HD1 PHE 5 -2.750 -5.034 -1.360
45 HD2 PHE 5 HD2 PHE 5 -5.440 -5.180 1.993
46 HE1 PHE 5 HE1 PHE 5 -2.292 -7.437 -1.085
47 HE2 PHE 5 HE2 PHE 5 -4.981 -7.580 2.250
48 HZ PHE 5 HZ PHE 5 -3.405 -8.714 0.718
49 H SER 6 H SER 6 -3.148 -0.456 -0.661
50 HA SER 6 HA SER 6 -0.771 -1.203 -2.450
51 HB2 SER 6 2HB SER 6 -3.307 0.201 -3.036
52 HB3 SER 6 1HB SER 6 -1.987 1.320 -3.283
53 HG SER 6 HG SER 6 -1.983 -1.351 -4.278
54 H LYS 7 H LYS 7 -1.185 0.392 0.415
55 HA LYS 7 HA LYS 7 1.044 2.445 -0.060
56 HB2 LYS 7 2HB LYS 7 -0.670 1.988 2.451
57 HB3 LYS 7 1HB LYS 7 0.536 3.220 2.259
58 HG2 LYS 7 2HG LYS 7 -1.280 3.544 -0.010
59 HG3 LYS 7 1HG LYS 7 -2.293 3.215 1.381
60 HD2 LYS 7 2HD LYS 7 -1.173 5.092 2.659
61 HD3 LYS 7 1HD LYS 7 -0.120 5.405 1.273
62 HE2 LYS 7 2HE LYS 7 -2.110 5.963 -0.178
63 HE3 LYS 7 1HE LYS 7 -3.221 5.579 1.154
64 HZ1 LYS 7 1HZ LYS 7 -2.717 8.028 1.090
65 HZ2 LYS 7 2HZ LYS 7 -2.135 7.386 2.488
66 HZ3 LYS 7 3HZ LYS 7 -1.109 7.738 1.265
67 H PHE 8 H PHE 8 0.430 -0.530 1.753
68 HA PHE 8 HA PHE 8 3.256 -0.616 2.835
69 HB2 PHE 8 2HB PHE 8 2.626 -2.254 4.243
70 HB3 PHE 8 1HB PHE 8 1.092 -1.486 4.082
71 HD1 PHE 8 HD1 PHE 8 2.629 -4.609 4.215
72 HD2 PHE 8 HD2 PHE 8 -0.347 -2.600 1.877
73 HE1 PHE 8 HE1 PHE 8 1.778 -6.777 3.410
74 HE2 PHE 8 HE2 PHE 8 -1.153 -4.784 1.055
75 HZ PHE 8 HZ PHE 8 -0.114 -6.851 1.815
76 H LEU 9 H LEU 9 1.415 -2.290 0.299
77 HA LEU 9 HA LEU 9 3.197 -4.302 -0.442
78 HB2 LEU 9 2HB LEU 9 0.822 -3.782 -1.230
79 HB3 LEU 9 1HB LEU 9 1.478 -2.745 -2.455
80 HG LEU 9 HG LEU 9 2.759 -5.451 -2.495
81 HD11 LEU 9 1HD1 LEU 9 -0.303 -5.424 -2.582
82 HD12 LEU 9 2HD1 LEU 9 0.704 -6.739 -3.243
83 HD13 LEU 9 3HD1 LEU 9 0.772 -6.356 -1.513
84 HD21 LEU 9 1HD2 LEU 9 1.955 -5.424 -4.903
85 HD22 LEU 9 2HD2 LEU 9 1.077 -3.911 -4.586
86 HD23 LEU 9 3HD2 LEU 9 2.855 -3.962 -4.467
87 H GLY 10 H GLY 10 3.379 -1.022 -1.809
88 HA2 GLY 10 1HA GLY 10 5.653 -1.118 -3.586
89 HA3 GLY 10 2HA GLY 10 5.320 0.219 -2.510
90 H ARG 11 H ARG 11 5.787 -0.980 -0.053
91 HA ARG 11 HA ARG 11 8.803 -1.192 0.121
92 HB2 ARG 11 2HB ARG 11 6.538 -1.227 2.210
93 HB3 ARG 11 1HB ARG 11 8.170 -1.599 2.662
94 HG2 ARG 11 2HG ARG 11 7.509 1.053 1.233
95 HG3 ARG 11 1HG ARG 11 7.268 0.830 2.948
96 HD2 ARG 11 2HD ARG 11 9.927 -0.126 2.659
97 HD3 ARG 11 1HD ARG 11 9.898 1.067 1.394
98 HE ARG 11 HE ARG 11 9.810 1.531 4.355
99 HH11 ARG 11 1HH1 ARG 11 8.791 4.686 2.120
100 HH12 ARG 11 2HH1 ARG 11 8.900 3.018 1.368
101 HH21 ARG 11 1HH2 ARG 11 9.223 4.867 4.215
102 HH22 ARG 11 2HH2 ARG 11 9.684 3.408 5.202
103 H ILE 12 H ILE 12 6.045 -3.414 0.733
104 HA ILE 12 HA ILE 12 7.618 -5.782 1.480
105 HB ILE 12 HB ILE 12 4.899 -5.620 0.092
106 HG12 ILE 12 2HG1 ILE 12 4.840 -4.476 2.294
107 HG13 ILE 12 1HG1 ILE 12 3.803 -5.862 2.182
108 HG21 ILE 12 1HG2 ILE 12 6.146 -8.086 1.428
109 HG22 ILE 12 2HG2 ILE 12 4.413 -7.940 1.042
110 HG23 ILE 12 3HG2 ILE 12 5.614 -7.911 -0.259
111 HD11 ILE 12 1HD1 ILE 12 6.553 -5.971 3.604
112 HD12 ILE 12 2HD1 ILE 12 5.015 -5.620 4.427
113 HD13 ILE 12 3HD1 ILE 12 5.265 -7.203 3.661
114 H LEU 13 H LEU 13 6.633 -4.693 -1.753
115 HA LEU 13 HA LEU 13 7.858 -6.836 -3.339
116 HB2 LEU 13 2HB LEU 13 7.023 -3.921 -3.824
117 HB3 LEU 13 1HB LEU 13 7.944 -4.703 -5.046
118 HG LEU 13 HG LEU 13 5.367 -4.658 -5.210
119 HD11 LEU 13 1HD1 LEU 13 7.306 -6.632 -6.211
120 HD12 LEU 13 2HD1 LEU 13 5.735 -7.416 -6.007
121 HD13 LEU 13 3HD1 LEU 13 5.864 -5.954 -6.993
122 HD21 LEU 13 1HD2 LEU 13 4.043 -6.507 -4.317
123 HD22 LEU 13 2HD2 LEU 13 5.457 -7.230 -3.516
124 HD23 LEU 13 3HD2 LEU 13 4.829 -5.681 -2.960
125 HN1 NH2 14 1HN NH2 14 11.108 -4.496 -2.570
126 HN2 NH2 14 2HN NH2 14 9.456 -3.819 -2.150
Start of MODEL 20
1 H1 PHE 1 1H PHE 1 -12.219 7.407 0.247
2 H2 PHE 1 2H PHE 1 -11.492 7.236 1.720
3 H3 PHE 1 3H PHE 1 -10.771 8.146 0.557
4 HA PHE 1 HA PHE 1 -11.211 5.206 0.440
5 HB2 PHE 1 2HB PHE 1 -10.501 7.197 -1.724
6 HB3 PHE 1 1HB PHE 1 -9.320 5.955 -1.607
7 HD1 PHE 1 HD1 PHE 1 -12.802 6.638 -2.536
8 HD2 PHE 1 HD2 PHE 1 -9.922 3.498 -1.892
9 HE1 PHE 1 HE1 PHE 1 -14.232 5.056 -3.758
10 HE2 PHE 1 HE2 PHE 1 -11.366 1.937 -3.126
11 HZ PHE 1 HZ PHE 1 -13.519 2.709 -4.058
12 H VAL 2 H VAL 2 -9.851 4.130 1.656
13 HA VAL 2 HA VAL 2 -6.975 5.111 2.015
14 HB VAL 2 HB VAL 2 -8.194 5.555 4.063
15 HG11 VAL 2 1HG1 VAL 2 -8.552 2.652 4.905
16 HG12 VAL 2 2HG1 VAL 2 -9.439 4.116 5.391
17 HG13 VAL 2 3HG1 VAL 2 -9.771 3.333 3.838
18 HG21 VAL 2 1HG2 VAL 2 -5.676 4.133 3.883
19 HG22 VAL 2 2HG2 VAL 2 -6.229 5.252 5.141
20 HG23 VAL 2 3HG2 VAL 2 -6.495 3.515 5.316
21 HA JKH 3 HA CAP 3 -6.740 0.732 0.308
22 HD2 JKH 3 1HD CAP 3 -7.760 4.139 -0.908
23 HD3 JKH 3 2HD CAP 3 -6.319 4.890 -0.194
24 HB3 JKH 3 2HB CAP 3 -5.325 1.177 -1.971
25 HB2 JKH 3 1HB CAP 3 -7.051 1.479 -1.890
26 HG JKH 3 HG CAP 3 -6.348 3.607 -2.704
27 HG22 JKH 3 1HG2 CAP 3 -4.311 4.702 -1.700
28 HG21 JKH 3 2HG2 CAP 3 -4.052 3.316 -0.816
29 HG23 JKH 3 3HG2 CAP 3 -3.943 3.268 -2.443
30 H TRP 4 H TRP 4 -5.662 1.281 2.513
31 HA TRP 4 HA TRP 4 -2.777 1.475 2.834
32 HB2 TRP 4 1HB TRP 4 -3.003 0.074 4.878
33 HB3 TRP 4 2HB TRP 4 -4.039 1.469 4.821
34 HD1 TRP 4 HD1 TRP 4 -6.679 1.120 4.870
35 HE1 TRP 4 HE1 TRP 4 -8.353 -0.907 5.184
36 HE3 TRP 4 HE3 TRP 4 -3.195 -2.589 4.401
37 HZ2 TRP 4 HZ2 TRP 4 -8.015 -3.724 5.132
38 HZ3 TRP 4 HZ3 TRP 4 -3.944 -4.941 4.482
39 HH2 TRP 4 HH2 TRP 4 -6.314 -5.505 4.848
40 H PHE 5 H PHE 5 -4.657 -1.295 1.754
41 HA PHE 5 HA PHE 5 -2.588 -3.200 1.423
42 HB2 PHE 5 2HB PHE 5 -5.303 -3.158 0.754
43 HB3 PHE 5 1HB PHE 5 -4.616 -3.128 -0.834
44 HD1 PHE 5 HD1 PHE 5 -2.758 -5.020 -1.367
45 HD2 PHE 5 HD2 PHE 5 -5.432 -5.173 1.999
46 HE1 PHE 5 HE1 PHE 5 -2.300 -7.424 -1.099
47 HE2 PHE 5 HE2 PHE 5 -4.969 -7.573 2.250
48 HZ PHE 5 HZ PHE 5 -3.402 -8.705 0.708
49 H SER 6 H SER 6 -3.154 -0.438 -0.677
50 HA SER 6 HA SER 6 -0.835 -1.249 -2.512
51 HB2 SER 6 2HB SER 6 -3.235 -0.199 -3.306
52 HB3 SER 6 1HB SER 6 -2.398 1.318 -2.965
53 HG SER 6 HG SER 6 -2.090 0.456 -5.121
54 H LYS 7 H LYS 7 -1.182 0.382 0.354
55 HA LYS 7 HA LYS 7 1.044 2.417 -0.124
56 HB2 LYS 7 2HB LYS 7 -1.383 2.484 1.429
57 HB3 LYS 7 1HB LYS 7 -0.185 2.232 2.631
58 HG2 LYS 7 2HG LYS 7 0.526 4.444 0.649
59 HG3 LYS 7 1HG LYS 7 -1.049 4.627 1.381
60 HD2 LYS 7 2HD LYS 7 0.090 4.259 3.701
61 HD3 LYS 7 1HD LYS 7 1.639 4.413 2.881
62 HE2 LYS 7 2HE LYS 7 1.289 6.732 2.291
63 HE3 LYS 7 1HE LYS 7 -0.464 6.620 2.381
64 HZ1 LYS 7 1HZ LYS 7 0.380 7.746 4.403
65 HZ2 LYS 7 2HZ LYS 7 -0.288 6.314 4.842
66 HZ3 LYS 7 3HZ LYS 7 1.341 6.466 4.794
67 H PHE 8 H PHE 8 0.428 -0.515 1.735
68 HA PHE 8 HA PHE 8 3.253 -0.602 2.820
69 HB2 PHE 8 2HB PHE 8 2.625 -2.237 4.232
70 HB3 PHE 8 1HB PHE 8 1.090 -1.471 4.073
71 HD1 PHE 8 HD1 PHE 8 -0.351 -2.589 1.873
72 HD2 PHE 8 HD2 PHE 8 2.626 -4.595 4.214
73 HE1 PHE 8 HE1 PHE 8 -1.160 -4.775 1.057
74 HE2 PHE 8 HE2 PHE 8 1.771 -6.764 3.416
75 HZ PHE 8 HZ PHE 8 -0.120 -6.841 1.821
76 H LEU 9 H LEU 9 1.400 -2.273 0.288
77 HA LEU 9 HA LEU 9 3.170 -4.291 -0.447
78 HB2 LEU 9 2HB LEU 9 0.796 -3.738 -1.279
79 HB3 LEU 9 1HB LEU 9 1.496 -2.739 -2.508
80 HG LEU 9 HG LEU 9 2.759 -5.446 -2.449
81 HD11 LEU 9 1HD1 LEU 9 0.441 -6.003 -1.439
82 HD12 LEU 9 2HD1 LEU 9 -0.231 -5.634 -3.045
83 HD13 LEU 9 3HD1 LEU 9 0.977 -6.930 -2.849
84 HD21 LEU 9 1HD2 LEU 9 1.098 -3.983 -4.613
85 HD22 LEU 9 2HD2 LEU 9 2.873 -3.992 -4.462
86 HD23 LEU 9 3HD2 LEU 9 2.009 -5.486 -4.878
87 H GLY 10 H GLY 10 3.368 -1.025 -1.835
88 HA2 GLY 10 1HA GLY 10 5.661 -1.132 -3.588
89 HA3 GLY 10 2HA GLY 10 5.318 0.209 -2.519
90 H ARG 11 H ARG 11 5.743 -1.051 -0.046
91 HA ARG 11 HA ARG 11 8.766 -1.266 0.086
92 HB2 ARG 11 2HB ARG 11 6.708 -1.363 2.382
93 HB3 ARG 11 1HB ARG 11 8.446 -1.357 2.569
94 HG2 ARG 11 2HG ARG 11 6.703 0.965 1.554
95 HG3 ARG 11 1HG ARG 11 7.610 0.874 3.063
96 HD2 ARG 11 2HD ARG 11 9.789 0.722 1.676
97 HD3 ARG 11 1HD ARG 11 8.800 0.929 0.210
98 HE ARG 11 HE ARG 11 8.272 3.148 2.070
99 HH11 ARG 11 1HH1 ARG 11 11.271 3.666 -0.547
100 HH12 ARG 11 2HH1 ARG 11 10.628 1.989 -0.211
101 HH21 ARG 11 1HH2 ARG 11 10.391 5.309 0.497
102 HH22 ARG 11 2HH2 ARG 11 9.032 5.052 1.685
103 H ILE 12 H ILE 12 6.025 -3.437 0.741
104 HA ILE 12 HA ILE 12 7.602 -5.809 1.492
105 HB ILE 12 HB ILE 12 4.886 -5.631 0.095
106 HG12 ILE 12 2HG1 ILE 12 4.808 -4.490 2.293
107 HG13 ILE 12 1HG1 ILE 12 3.786 -5.888 2.188
108 HG21 ILE 12 1HG2 ILE 12 4.395 -7.951 1.029
109 HG22 ILE 12 2HG2 ILE 12 5.615 -7.924 -0.253
110 HG23 ILE 12 3HG2 ILE 12 6.122 -8.099 1.441
111 HD11 ILE 12 1HD1 ILE 12 6.536 -5.932 3.619
112 HD12 ILE 12 2HD1 ILE 12 4.981 -5.642 4.432
113 HD13 ILE 12 3HD1 ILE 12 5.295 -7.211 3.659
114 H LEU 13 H LEU 13 6.624 -4.694 -1.744
115 HA LEU 13 HA LEU 13 7.856 -6.832 -3.325
116 HB2 LEU 13 2HB LEU 13 7.022 -3.920 -3.827
117 HB3 LEU 13 1HB LEU 13 7.938 -4.717 -5.047
118 HG LEU 13 HG LEU 13 5.344 -4.677 -5.192
119 HD11 LEU 13 1HD1 LEU 13 7.241 -6.879 -6.017
120 HD12 LEU 13 2HD1 LEU 13 5.518 -7.272 -6.152
121 HD13 LEU 13 3HD1 LEU 13 6.161 -5.852 -6.987
122 HD21 LEU 13 1HD2 LEU 13 4.053 -6.541 -4.292
123 HD22 LEU 13 2HD2 LEU 13 5.480 -7.251 -3.504
124 HD23 LEU 13 3HD2 LEU 13 4.834 -5.709 -2.939
125 HN1 NH2 14 1HN NH2 14 11.114 -4.530 -2.531
126 HN2 NH2 14 2HN NH2 14 9.467 -3.865 -2.073