Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
5002 | 1g89 RC | 5938 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ILE 1 1H ILE 1 -18.474 2.497 2.107
2 2H ILE 1 2H ILE 1 -18.512 2.690 3.795
3 3H ILE 1 3H ILE 1 -17.750 1.335 3.109
4 HA ILE 1 HA ILE 1 -16.813 4.077 2.500
5 HB ILE 1 HB ILE 1 -15.175 3.534 4.423
6 1HG1 ILE 1 2HG1 ILE 1 -17.448 1.667 5.175
7 2HG1 ILE 1 1HG1 ILE 1 -15.884 1.128 4.563
8 1HG2 ILE 1 1HG2 ILE 1 -17.872 3.835 5.622
9 2HG2 ILE 1 2HG2 ILE 1 -17.473 4.982 4.343
10 3HG2 ILE 1 3HG2 ILE 1 -16.450 4.867 5.775
11 1HD1 ILE 1 1HD1 ILE 1 -16.497 1.564 7.229
12 2HD1 ILE 1 2HD1 ILE 1 -15.640 3.036 6.772
13 3HD1 ILE 1 3HD1 ILE 1 -14.870 1.464 6.556
14 H LEU 2 H LEU 2 -14.383 3.866 2.081
15 HA LEU 2 HA LEU 2 -13.702 2.226 -0.020
16 1HB LEU 2 2HB LEU 2 -11.364 2.580 0.735
17 2HB LEU 2 1HB LEU 2 -12.327 4.046 0.931
18 HG LEU 2 HG LEU 2 -12.664 2.558 3.314
19 1HD1 LEU 2 1HD1 LEU 2 -10.044 2.739 3.865
20 2HD1 LEU 2 2HD1 LEU 2 -9.926 2.372 2.144
21 3HD1 LEU 2 3HD1 LEU 2 -10.762 1.260 3.226
22 1HD2 LEU 2 1HD2 LEU 2 -11.275 4.505 4.230
23 2HD2 LEU 2 2HD2 LEU 2 -12.705 4.949 3.298
24 3HD2 LEU 2 3HD2 LEU 2 -11.106 5.041 2.558
25 HA PRO 3 HA PRO 3 -13.618 -1.883 1.569
26 1HB PRO 3 2HB PRO 3 -12.037 -3.036 -0.343
27 2HB PRO 3 1HB PRO 3 -13.727 -2.580 -0.634
28 1HG PRO 3 2HG PRO 3 -11.226 -1.174 -1.416
29 2HG PRO 3 1HG PRO 3 -12.748 -1.350 -2.302
30 1HD PRO 3 2HD PRO 3 -12.026 0.918 -0.954
31 2HD PRO 3 1HD PRO 3 -13.711 0.442 -1.262
32 H TRP 4 H TRP 4 -11.592 -3.685 1.612
33 HA TRP 4 HA TRP 4 -9.245 -2.256 2.816
34 1HB TRP 4 2HB TRP 4 -9.789 -4.810 4.064
35 2HB TRP 4 1HB TRP 4 -9.668 -3.223 4.811
36 HD1 TRP 4 HD1 TRP 4 -12.234 -5.489 3.049
37 HE1 TRP 4 1HE TRP 4 -14.590 -4.845 3.876
38 HE3 TRP 4 3HE TRP 4 -11.079 -1.441 5.938
39 HZ2 TRP 4 2HZ TRP 4 -15.822 -2.872 5.543
40 HZ3 TRP 4 3HZ TRP 4 -12.859 -0.198 7.132
41 HH2 TRP 4 HH2 TRP 4 -15.227 -0.907 6.939
42 H LYS 5 H LYS 5 -9.164 -3.127 0.228
43 HA LYS 5 HA LYS 5 -7.500 -5.610 0.385
44 1HB LYS 5 2HB LYS 5 -9.809 -4.810 -1.244
45 2HB LYS 5 1HB LYS 5 -8.465 -5.448 -2.188
46 1HG LYS 5 2HG LYS 5 -8.733 -7.556 -1.371
47 2HG LYS 5 1HG LYS 5 -9.065 -6.976 0.262
48 1HD LYS 5 2HD LYS 5 -11.023 -6.938 -2.054
49 2HD LYS 5 1HD LYS 5 -11.058 -8.065 -0.699
50 1HE LYS 5 2HE LYS 5 -12.164 -6.559 0.580
51 2HE LYS 5 1HE LYS 5 -10.923 -5.328 0.267
52 1HZ LYS 5 1HZ LYS 5 -12.988 -6.099 -1.719
53 2HZ LYS 5 2HZ LYS 5 -11.924 -4.776 -1.791
54 3HZ LYS 5 3HZ LYS 5 -13.181 -4.798 -0.648
55 H TRP 6 H TRP 6 -7.135 -2.490 0.194
56 HA TRP 6 HA TRP 6 -5.801 -1.870 -2.226
57 1HB TRP 6 2HB TRP 6 -6.652 -0.250 -0.649
58 2HB TRP 6 1HB TRP 6 -5.603 -0.859 0.615
59 HD1 TRP 6 HD1 TRP 6 -3.018 -0.508 0.289
60 HE1 TRP 6 1HE TRP 6 -1.713 1.374 -0.952
61 HE3 TRP 6 3HE TRP 6 -6.735 1.221 -2.569
62 HZ2 TRP 6 2HZ TRP 6 -2.274 3.380 -2.965
63 HZ3 TRP 6 3HZ TRP 6 -6.398 3.114 -4.167
64 HH2 TRP 6 HH2 TRP 6 -4.165 4.190 -4.364
65 HA PRO 7 HA PRO 7 -1.986 -3.956 -1.463
66 1HB PRO 7 2HB PRO 7 -0.586 -2.925 -3.576
67 2HB PRO 7 1HB PRO 7 -1.886 -4.117 -3.754
68 1HG PRO 7 2HG PRO 7 -1.866 -1.280 -4.444
69 2HG PRO 7 1HG PRO 7 -2.973 -2.552 -4.966
70 1HD PRO 7 2HD PRO 7 -3.371 -0.548 -2.927
71 2HD PRO 7 1HD PRO 7 -4.523 -1.753 -3.541
72 H TRP 8 H TRP 8 0.578 -3.191 -1.892
73 HA TRP 8 HA TRP 8 2.258 -2.274 -0.494
74 1HB TRP 8 2HB TRP 8 1.172 0.220 -1.772
75 2HB TRP 8 1HB TRP 8 2.844 -0.295 -1.580
76 HD1 TRP 8 HD1 TRP 8 -0.035 -0.487 -3.903
77 HE1 TRP 8 1HE TRP 8 0.574 -1.910 -5.970
78 HE3 TRP 8 3HE TRP 8 4.312 -2.532 -2.267
79 HZ2 TRP 8 2HZ TRP 8 2.652 -3.700 -6.801
80 HZ3 TRP 8 3HZ TRP 8 5.598 -4.097 -3.700
81 HH2 TRP 8 HH2 TRP 8 4.771 -4.686 -5.962
82 H TRP 9 H TRP 9 1.291 -2.553 1.641
83 HA TRP 9 HA TRP 9 -0.545 -1.029 2.995
84 1HB TRP 9 2HB TRP 9 0.486 -2.789 4.141
85 2HB TRP 9 1HB TRP 9 2.103 -2.212 3.753
86 HD1 TRP 9 HD1 TRP 9 2.943 -0.012 5.044
87 HE1 TRP 9 1HE TRP 9 2.374 0.861 7.406
88 HE3 TRP 9 3HE TRP 9 -1.334 -2.601 5.883
89 HZ2 TRP 9 2HZ TRP 9 0.336 0.491 9.395
90 HZ3 TRP 9 3HZ TRP 9 -2.588 -2.339 8.011
91 HH2 TRP 9 HH2 TRP 9 -1.759 -0.792 9.765
92 HA PRO 10 HA PRO 10 1.196 3.027 3.081
93 1HB PRO 10 2HB PRO 10 -0.698 4.154 4.702
94 2HB PRO 10 1HB PRO 10 -1.014 3.698 3.017
95 1HG PRO 10 2HG PRO 10 -2.008 2.487 5.466
96 2HG PRO 10 1HG PRO 10 -2.555 2.259 3.801
97 1HD PRO 10 2HD PRO 10 -0.819 0.570 5.401
98 2HD PRO 10 1HD PRO 10 -1.561 0.225 3.826
99 H TRP 11 H TRP 11 3.098 3.272 4.278
100 HA TRP 11 HA TRP 11 2.963 2.990 7.229
101 1HB TRP 11 2HB TRP 11 5.417 2.663 6.942
102 2HB TRP 11 1HB TRP 11 4.474 1.510 6.018
103 HD1 TRP 11 HD1 TRP 11 6.283 4.858 5.541
104 HE1 TRP 11 1HE TRP 11 7.064 4.989 3.072
105 HE3 TRP 11 3HE TRP 11 4.196 0.611 3.819
106 HZ2 TRP 11 2HZ TRP 11 6.801 3.430 0.658
107 HZ3 TRP 11 3HZ TRP 11 4.445 -0.086 1.437
108 HH2 TRP 11 HH2 TRP 11 5.746 1.325 -0.142
109 H ARG 12 H ARG 12 5.100 4.480 7.971
110 HA ARG 12 HA ARG 12 4.152 7.218 7.695
111 1HB ARG 12 2HB ARG 12 5.127 6.183 9.754
112 2HB ARG 12 1HB ARG 12 6.683 6.085 8.929
113 1HG ARG 12 2HG ARG 12 6.992 8.391 8.943
114 2HG ARG 12 1HG ARG 12 5.263 8.723 9.043
115 1HD ARG 12 2HD ARG 12 5.531 8.989 11.279
116 2HD ARG 12 1HD ARG 12 5.897 7.255 11.378
117 HE ARG 12 HE ARG 12 8.297 8.075 10.643
118 1HH1 ARG 12 2HH1 ARG 12 7.794 10.954 10.943
119 2HH1 ARG 12 1HH1 ARG 12 8.235 11.264 12.590
120 1HH2 ARG 12 1HH2 ARG 12 8.119 7.926 13.526
121 2HH2 ARG 12 2HH2 ARG 12 8.419 9.550 14.052
122 H ARG 13 H ARG 13 4.711 6.498 5.125
123 HA ARG 13 HA ARG 13 7.336 6.781 4.128
124 1HB ARG 13 2HB ARG 13 6.191 7.361 2.045
125 2HB ARG 13 1HB ARG 13 5.257 6.126 2.892
126 1HG ARG 13 2HG ARG 13 3.900 8.019 3.914
127 2HG ARG 13 1HG ARG 13 4.702 9.098 2.774
128 1HD ARG 13 2HD ARG 13 3.819 6.885 1.244
129 2HD ARG 13 1HD ARG 13 2.462 7.340 2.295
130 HE ARG 13 HE ARG 13 3.561 9.751 1.340
131 1HH1 ARG 13 1HH2 ARG 13 0.726 9.220 0.892
132 2HH1 ARG 13 2HH2 ARG 13 0.620 8.994 -0.822
133 1HH2 ARG 13 1HH1 ARG 13 4.023 8.460 -1.227
134 2HH2 ARG 13 2HH1 ARG 13 2.487 8.563 -2.022
135 1HN NH2 14 1HT ARG 13 5.207 9.247 5.477
136 2HN NH2 14 2HT ARG 13 6.214 10.574 5.156
Start of MODEL 2
1 1H ILE 1 1H ILE 1 -20.054 -0.020 0.212
2 2H ILE 1 2H ILE 1 -19.727 -0.148 1.875
3 3H ILE 1 3H ILE 1 -18.740 -0.949 0.748
4 HA ILE 1 HA ILE 1 -18.171 1.324 -0.174
5 HB ILE 1 HB ILE 1 -19.252 2.168 2.506
6 1HG1 ILE 1 2HG1 ILE 1 -21.107 1.215 1.151
7 2HG1 ILE 1 1HG1 ILE 1 -21.271 2.959 1.353
8 1HG2 ILE 1 1HG2 ILE 1 -19.390 4.349 1.008
9 2HG2 ILE 1 2HG2 ILE 1 -18.181 3.497 0.048
10 3HG2 ILE 1 3HG2 ILE 1 -17.863 3.862 1.743
11 1HD1 ILE 1 1HD1 ILE 1 -19.767 1.937 -1.025
12 2HD1 ILE 1 2HD1 ILE 1 -20.721 3.409 -0.856
13 3HD1 ILE 1 3HD1 ILE 1 -21.528 1.852 -1.043
14 H LEU 2 H LEU 2 -16.195 2.356 0.740
15 HA LEU 2 HA LEU 2 -14.125 2.205 1.873
16 1HB LEU 2 2HB LEU 2 -15.902 0.990 4.013
17 2HB LEU 2 1HB LEU 2 -14.358 1.808 4.263
18 HG LEU 2 HG LEU 2 -16.860 3.091 3.123
19 1HD1 LEU 2 1HD1 LEU 2 -17.391 3.072 5.353
20 2HD1 LEU 2 2HD1 LEU 2 -16.290 4.449 5.396
21 3HD1 LEU 2 3HD1 LEU 2 -15.716 2.847 5.856
22 1HD2 LEU 2 1HD2 LEU 2 -15.375 5.179 3.647
23 2HD2 LEU 2 2HD2 LEU 2 -15.058 4.262 2.173
24 3HD2 LEU 2 3HD2 LEU 2 -14.036 4.032 3.592
25 HA PRO 3 HA PRO 3 -13.781 -2.247 0.786
26 1HB PRO 3 2HB PRO 3 -11.583 -1.929 -0.815
27 2HB PRO 3 1HB PRO 3 -13.246 -1.715 -1.402
28 1HG PRO 3 2HG PRO 3 -11.235 0.334 -0.624
29 2HG PRO 3 1HG PRO 3 -12.423 0.357 -1.937
30 1HD PRO 3 2HD PRO 3 -12.742 1.694 0.428
31 2HD PRO 3 1HD PRO 3 -14.092 1.136 -0.586
32 H TRP 4 H TRP 4 -11.438 -3.486 0.775
33 HA TRP 4 HA TRP 4 -9.535 -2.349 2.718
34 1HB TRP 4 2HB TRP 4 -10.415 -4.964 3.649
35 2HB TRP 4 1HB TRP 4 -10.270 -3.459 4.548
36 HD1 TRP 4 HD1 TRP 4 -12.731 -5.299 2.224
37 HE1 TRP 4 1HE TRP 4 -15.122 -4.512 2.788
38 HE3 TRP 4 3HE TRP 4 -11.680 -1.682 5.671
39 HZ2 TRP 4 2HZ TRP 4 -16.417 -2.600 4.479
40 HZ3 TRP 4 3HZ TRP 4 -13.507 -0.394 6.742
41 HH2 TRP 4 HH2 TRP 4 -15.872 -0.848 6.151
42 H LYS 5 H LYS 5 -9.058 -3.061 0.124
43 HA LYS 5 HA LYS 5 -7.418 -5.542 0.414
44 1HB LYS 5 2HB LYS 5 -9.659 -4.898 -1.342
45 2HB LYS 5 1HB LYS 5 -8.228 -5.394 -2.239
46 1HG LYS 5 2HG LYS 5 -8.105 -7.481 -1.080
47 2HG LYS 5 1HG LYS 5 -9.270 -6.949 0.133
48 1HD LYS 5 2HD LYS 5 -11.041 -7.490 -1.170
49 2HD LYS 5 1HD LYS 5 -10.304 -6.783 -2.608
50 1HE LYS 5 2HE LYS 5 -9.138 -9.338 -1.562
51 2HE LYS 5 1HE LYS 5 -10.676 -9.414 -2.446
52 1HZ LYS 5 1HZ LYS 5 -9.234 -9.407 -4.197
53 2HZ LYS 5 2HZ LYS 5 -8.043 -8.521 -3.371
54 3HZ LYS 5 3HZ LYS 5 -9.411 -7.733 -3.997
55 H TRP 6 H TRP 6 -7.086 -2.444 0.257
56 HA TRP 6 HA TRP 6 -5.699 -1.705 -2.076
57 1HB TRP 6 2HB TRP 6 -6.513 -0.172 -0.406
58 2HB TRP 6 1HB TRP 6 -5.502 -0.894 0.826
59 HD1 TRP 6 HD1 TRP 6 -2.895 -0.598 0.553
60 HE1 TRP 6 1HE TRP 6 -1.530 1.336 -0.530
61 HE3 TRP 6 3HE TRP 6 -6.529 1.432 -2.216
62 HZ2 TRP 6 2HZ TRP 6 -2.011 3.499 -2.396
63 HZ3 TRP 6 3HZ TRP 6 -6.123 3.428 -3.667
64 HH2 TRP 6 HH2 TRP 6 -3.861 4.457 -3.756
65 HA PRO 7 HA PRO 7 -1.927 -3.919 -1.429
66 1HB PRO 7 2HB PRO 7 -0.548 -2.862 -3.544
67 2HB PRO 7 1HB PRO 7 -1.874 -4.023 -3.728
68 1HG PRO 7 2HG PRO 7 -1.810 -1.174 -4.356
69 2HG PRO 7 1HG PRO 7 -2.961 -2.409 -4.874
70 1HD PRO 7 2HD PRO 7 -3.243 -0.440 -2.772
71 2HD PRO 7 1HD PRO 7 -4.452 -1.582 -3.399
72 H TRP 8 H TRP 8 0.644 -3.173 -1.889
73 HA TRP 8 HA TRP 8 2.360 -2.304 -0.512
74 1HB TRP 8 2HB TRP 8 1.240 0.205 -1.738
75 2HB TRP 8 1HB TRP 8 2.921 -0.278 -1.544
76 HD1 TRP 8 HD1 TRP 8 0.087 -0.464 -3.908
77 HE1 TRP 8 1HE TRP 8 0.723 -1.880 -5.969
78 HE3 TRP 8 3HE TRP 8 4.391 -2.545 -2.204
79 HZ2 TRP 8 2HZ TRP 8 2.807 -3.678 -6.773
80 HZ3 TRP 8 3HZ TRP 8 5.693 -4.111 -3.620
81 HH2 TRP 8 HH2 TRP 8 4.902 -4.684 -5.901
82 H TRP 9 H TRP 9 1.535 -2.594 1.641
83 HA TRP 9 HA TRP 9 -0.277 -1.200 3.134
84 1HB TRP 9 2HB TRP 9 0.967 -2.871 4.197
85 2HB TRP 9 1HB TRP 9 2.502 -2.175 3.692
86 HD1 TRP 9 HD1 TRP 9 3.256 0.100 4.919
87 HE1 TRP 9 1HE TRP 9 2.806 0.925 7.322
88 HE3 TRP 9 3HE TRP 9 -0.710 -2.839 6.080
89 HZ2 TRP 9 2HZ TRP 9 0.972 0.385 9.466
90 HZ3 TRP 9 3HZ TRP 9 -1.806 -2.680 8.303
91 HH2 TRP 9 HH2 TRP 9 -0.971 -1.068 9.994
92 HA PRO 10 HA PRO 10 1.132 2.980 3.112
93 1HB PRO 10 2HB PRO 10 -0.714 3.952 4.882
94 2HB PRO 10 1HB PRO 10 -1.123 3.469 3.226
95 1HG PRO 10 2HG PRO 10 -1.819 2.184 5.739
96 2HG PRO 10 1HG PRO 10 -2.475 1.910 4.120
97 1HD PRO 10 2HD PRO 10 -0.488 0.371 5.571
98 2HD PRO 10 1HD PRO 10 -1.319 -0.035 4.057
99 H TRP 11 H TRP 11 3.110 3.339 4.147
100 HA TRP 11 HA TRP 11 3.228 3.101 7.103
101 1HB TRP 11 2HB TRP 11 5.664 2.933 6.631
102 2HB TRP 11 1HB TRP 11 4.740 1.715 5.776
103 HD1 TRP 11 HD1 TRP 11 6.255 5.188 5.165
104 HE1 TRP 11 1HE TRP 11 6.854 5.351 2.647
105 HE3 TRP 11 3HE TRP 11 4.390 0.776 3.613
106 HZ2 TRP 11 2HZ TRP 11 6.548 3.750 0.265
107 HZ3 TRP 11 3HZ TRP 11 4.530 0.073 1.223
108 HH2 TRP 11 HH2 TRP 11 5.606 1.562 -0.449
109 H ARG 12 H ARG 12 5.323 4.751 7.637
110 HA ARG 12 HA ARG 12 4.157 7.408 7.436
111 1HB ARG 12 2HB ARG 12 5.542 6.289 9.319
112 2HB ARG 12 1HB ARG 12 6.951 6.698 8.340
113 1HG ARG 12 2HG ARG 12 6.557 9.016 8.526
114 2HG ARG 12 1HG ARG 12 4.880 8.780 9.022
115 1HD ARG 12 2HD ARG 12 5.741 9.140 11.126
116 2HD ARG 12 1HD ARG 12 6.201 7.429 11.007
117 HE ARG 12 HE ARG 12 8.013 9.735 10.532
118 1HH1 ARG 12 2HH1 ARG 12 7.732 6.713 11.886
119 2HH1 ARG 12 1HH1 ARG 12 9.245 6.100 11.305
120 1HH2 ARG 12 1HH2 ARG 12 9.834 8.797 9.209
121 2HH2 ARG 12 2HH2 ARG 12 10.434 7.280 9.789
122 H ARG 13 H ARG 13 4.504 6.681 4.823
123 HA ARG 13 HA ARG 13 7.017 7.198 3.600
124 1HB ARG 13 2HB ARG 13 4.914 6.208 2.607
125 2HB ARG 13 1HB ARG 13 4.243 7.839 2.547
126 1HG ARG 13 2HG ARG 13 6.951 7.525 1.381
127 2HG ARG 13 1HG ARG 13 5.644 6.732 0.502
128 1HD ARG 13 2HD ARG 13 4.387 9.012 0.788
129 2HD ARG 13 1HD ARG 13 6.012 9.665 1.084
130 HE ARG 13 HE ARG 13 5.754 7.913 -1.275
131 1HH1 ARG 13 1HH2 ARG 13 5.058 11.077 -0.222
132 2HH1 ARG 13 2HH2 ARG 13 5.796 11.855 -1.583
133 1HH2 ARG 13 1HH1 ARG 13 7.044 8.911 -2.928
134 2HH2 ARG 13 2HH1 ARG 13 6.920 10.630 -3.115
135 1HN NH2 14 1HT ARG 13 7.663 9.236 2.409
136 2HN NH2 14 2HT ARG 13 7.198 10.747 3.026
Start of MODEL 3
1 1H ILE 1 1H ILE 1 -18.624 1.966 2.557
2 2H ILE 1 2H ILE 1 -18.102 0.734 1.510
3 3H ILE 1 3H ILE 1 -19.104 1.978 0.930
4 HA ILE 1 HA ILE 1 -16.887 2.443 0.189
5 HB ILE 1 HB ILE 1 -16.712 4.659 1.237
6 1HG1 ILE 1 2HG1 ILE 1 -18.820 3.926 3.236
7 2HG1 ILE 1 1HG1 ILE 1 -17.147 3.485 3.584
8 1HG2 ILE 1 1HG2 ILE 1 -18.736 3.911 -0.234
9 2HG2 ILE 1 2HG2 ILE 1 -18.851 5.433 0.650
10 3HG2 ILE 1 3HG2 ILE 1 -19.648 3.989 1.274
11 1HD1 ILE 1 1HD1 ILE 1 -17.782 6.272 2.662
12 2HD1 ILE 1 2HD1 ILE 1 -16.434 5.707 3.649
13 3HD1 ILE 1 3HD1 ILE 1 -18.047 5.832 4.349
14 H LEU 2 H LEU 2 -14.671 3.235 1.043
15 HA LEU 2 HA LEU 2 -12.698 2.782 2.263
16 1HB LEU 2 2HB LEU 2 -14.637 1.992 4.453
17 2HB LEU 2 1HB LEU 2 -13.013 2.654 4.642
18 HG LEU 2 HG LEU 2 -15.276 4.153 3.299
19 1HD1 LEU 2 1HD1 LEU 2 -14.874 3.593 6.078
20 2HD1 LEU 2 2HD1 LEU 2 -16.092 4.633 5.339
21 3HD1 LEU 2 3HD1 LEU 2 -14.524 5.299 5.801
22 1HD2 LEU 2 1HD2 LEU 2 -13.678 5.664 2.806
23 2HD2 LEU 2 2HD2 LEU 2 -12.467 4.546 3.435
24 3HD2 LEU 2 3HD2 LEU 2 -13.196 5.745 4.500
25 HA PRO 3 HA PRO 3 -13.430 -1.740 1.484
26 1HB PRO 3 2HB PRO 3 -11.567 -1.981 -0.505
27 2HB PRO 3 1HB PRO 3 -13.251 -1.513 -0.813
28 1HG PRO 3 2HG PRO 3 -10.814 0.185 -0.652
29 2HG PRO 3 1HG PRO 3 -12.212 0.313 -1.732
30 1HD PRO 3 2HD PRO 3 -11.844 1.892 0.468
31 2HD PRO 3 1HD PRO 3 -13.438 1.501 -0.213
32 H TRP 4 H TRP 4 -11.372 -3.393 1.216
33 HA TRP 4 HA TRP 4 -9.061 -2.416 2.820
34 1HB TRP 4 2HB TRP 4 -10.086 -5.018 3.713
35 2HB TRP 4 1HB TRP 4 -9.582 -3.632 4.670
36 HD1 TRP 4 HD1 TRP 4 -12.616 -4.864 2.637
37 HE1 TRP 4 1HE TRP 4 -14.749 -3.827 3.656
38 HE3 TRP 4 3HE TRP 4 -10.520 -1.847 6.182
39 HZ2 TRP 4 2HZ TRP 4 -15.467 -1.962 5.706
40 HZ3 TRP 4 3HZ TRP 4 -11.948 -0.452 7.653
41 HH2 TRP 4 HH2 TRP 4 -14.416 -0.507 7.419
42 H LYS 5 H LYS 5 -9.023 -3.053 0.140
43 HA LYS 5 HA LYS 5 -7.566 -5.662 0.118
44 1HB LYS 5 2HB LYS 5 -9.854 -4.635 -1.410
45 2HB LYS 5 1HB LYS 5 -8.579 -5.315 -2.417
46 1HG LYS 5 2HG LYS 5 -8.677 -7.423 -1.267
47 2HG LYS 5 1HG LYS 5 -9.714 -6.751 -0.007
48 1HD LYS 5 2HD LYS 5 -11.389 -7.657 -1.264
49 2HD LYS 5 1HD LYS 5 -11.197 -6.182 -2.215
50 1HE LYS 5 2HE LYS 5 -10.686 -7.483 -4.000
51 2HE LYS 5 1HE LYS 5 -9.216 -7.992 -3.147
52 1HZ LYS 5 1HZ LYS 5 -10.562 -9.919 -3.598
53 2HZ LYS 5 2HZ LYS 5 -11.922 -9.193 -2.883
54 3HZ LYS 5 3HZ LYS 5 -10.582 -9.619 -1.929
55 H TRP 6 H TRP 6 -7.061 -2.535 0.026
56 HA TRP 6 HA TRP 6 -5.668 -1.987 -2.402
57 1HB TRP 6 2HB TRP 6 -6.568 -0.312 -0.904
58 2HB TRP 6 1HB TRP 6 -5.561 -0.881 0.408
59 HD1 TRP 6 HD1 TRP 6 -2.967 -0.538 0.159
60 HE1 TRP 6 1HE TRP 6 -1.620 1.291 -1.115
61 HE3 TRP 6 3HE TRP 6 -6.587 1.075 -2.887
62 HZ2 TRP 6 2HZ TRP 6 -2.111 3.216 -3.224
63 HZ3 TRP 6 3HZ TRP 6 -6.196 2.902 -4.549
64 HH2 TRP 6 HH2 TRP 6 -3.956 3.968 -4.717
65 HA PRO 7 HA PRO 7 -1.904 -4.070 -1.420
66 1HB PRO 7 2HB PRO 7 -0.411 -3.112 -3.505
67 2HB PRO 7 1HB PRO 7 -1.709 -4.303 -3.700
68 1HG PRO 7 2HG PRO 7 -1.644 -1.486 -4.473
69 2HG PRO 7 1HG PRO 7 -2.734 -2.769 -5.005
70 1HD PRO 7 2HD PRO 7 -3.211 -0.703 -3.048
71 2HD PRO 7 1HD PRO 7 -4.339 -1.927 -3.669
72 H TRP 8 H TRP 8 0.681 -3.334 -1.767
73 HA TRP 8 HA TRP 8 2.308 -2.380 -0.329
74 1HB TRP 8 2HB TRP 8 1.291 0.078 -1.728
75 2HB TRP 8 1HB TRP 8 2.950 -0.436 -1.448
76 HD1 TRP 8 HD1 TRP 8 0.172 -0.692 -3.887
77 HE1 TRP 8 1HE TRP 8 0.861 -2.181 -5.879
78 HE3 TRP 8 3HE TRP 8 4.435 -2.699 -2.002
79 HZ2 TRP 8 2HZ TRP 8 2.967 -4.002 -6.565
80 HZ3 TRP 8 3HZ TRP 8 5.774 -4.313 -3.326
81 HH2 TRP 8 HH2 TRP 8 5.042 -4.970 -5.604
82 H TRP 9 H TRP 9 1.248 -2.590 1.771
83 HA TRP 9 HA TRP 9 -0.636 -1.018 3.000
84 1HB TRP 9 2HB TRP 9 0.344 -2.751 4.235
85 2HB TRP 9 1HB TRP 9 1.977 -2.181 3.907
86 HD1 TRP 9 HD1 TRP 9 2.755 0.048 5.183
87 HE1 TRP 9 1HE TRP 9 2.075 0.983 7.486
88 HE3 TRP 9 3HE TRP 9 -1.562 -2.514 5.878
89 HZ2 TRP 9 2HZ TRP 9 -0.060 0.667 9.385
90 HZ3 TRP 9 3HZ TRP 9 -2.919 -2.196 7.933
91 HH2 TRP 9 HH2 TRP 9 -2.173 -0.604 9.685
92 HA PRO 10 HA PRO 10 1.117 3.031 3.027
93 1HB PRO 10 2HB PRO 10 -0.831 4.217 4.538
94 2HB PRO 10 1HB PRO 10 -1.085 3.707 2.859
95 1HG PRO 10 2HG PRO 10 -2.175 2.578 5.308
96 2HG PRO 10 1HG PRO 10 -2.660 2.302 3.632
97 1HD PRO 10 2HD PRO 10 -0.998 0.653 5.343
98 2HD PRO 10 1HD PRO 10 -1.678 0.267 3.750
99 H TRP 11 H TRP 11 2.992 3.232 4.278
100 HA TRP 11 HA TRP 11 2.748 3.109 7.234
101 1HB TRP 11 2HB TRP 11 5.204 2.726 7.046
102 2HB TRP 11 1HB TRP 11 4.270 1.548 6.144
103 HD1 TRP 11 HD1 TRP 11 6.140 4.850 5.565
104 HE1 TRP 11 1HE TRP 11 7.014 4.840 3.123
105 HE3 TRP 11 3HE TRP 11 4.073 0.535 3.996
106 HZ2 TRP 11 2HZ TRP 11 6.823 3.156 0.787
107 HZ3 TRP 11 3HZ TRP 11 4.402 -0.292 1.665
108 HH2 TRP 11 HH2 TRP 11 5.775 1.020 0.063
109 H ARG 12 H ARG 12 4.916 4.597 7.950
110 HA ARG 12 HA ARG 12 4.013 7.329 7.583
111 1HB ARG 12 2HB ARG 12 5.053 6.309 9.640
112 2HB ARG 12 1HB ARG 12 6.589 6.255 8.772
113 1HG ARG 12 2HG ARG 12 6.260 8.768 8.361
114 2HG ARG 12 1HG ARG 12 4.997 8.689 9.589
115 1HD ARG 12 2HD ARG 12 7.434 7.336 10.468
116 2HD ARG 12 1HD ARG 12 7.713 9.049 10.098
117 HE ARG 12 HE ARG 12 5.493 8.137 11.891
118 1HH1 ARG 12 1HH2 ARG 12 8.422 9.201 12.576
119 2HH1 ARG 12 2HH2 ARG 12 7.995 10.768 13.176
120 1HH2 ARG 12 2HH1 ARG 12 4.747 10.637 11.969
121 2HH2 ARG 12 1HH1 ARG 12 5.914 11.581 12.832
122 H ARG 13 H ARG 13 4.485 6.531 5.026
123 HA ARG 13 HA ARG 13 7.126 6.812 3.995
124 1HB ARG 13 2HB ARG 13 5.321 5.885 2.691
125 2HB ARG 13 1HB ARG 13 4.359 7.353 2.881
126 1HG ARG 13 2HG ARG 13 6.969 7.959 1.759
127 2HG ARG 13 1HG ARG 13 6.117 6.768 0.774
128 1HD ARG 13 2HD ARG 13 4.459 9.043 1.724
129 2HD ARG 13 1HD ARG 13 5.702 9.440 0.521
130 HE ARG 13 HE ARG 13 4.632 7.959 -1.034
131 1HH1 ARG 13 1HH2 ARG 13 3.944 5.657 0.634
132 2HH1 ARG 13 2HH2 ARG 13 2.223 5.774 0.794
133 1HH2 ARG 13 1HH1 ARG 13 2.091 9.094 -0.196
134 2HH2 ARG 13 2HH1 ARG 13 1.175 7.720 0.323
135 1HN NH2 14 1HT ARG 13 8.046 8.714 5.183
136 2HN NH2 14 2HT ARG 13 7.625 10.293 4.723
Start of MODEL 4
1 1H ILE 1 1H ILE 1 -18.975 -1.278 1.903
2 2H ILE 1 2H ILE 1 -19.768 0.050 1.200
3 3H ILE 1 3H ILE 1 -20.319 -0.592 2.674
4 HA ILE 1 HA ILE 1 -18.969 1.544 2.812
5 HB ILE 1 HB ILE 1 -17.738 0.468 4.813
6 1HG1 ILE 1 2HG1 ILE 1 -19.295 -1.951 3.849
7 2HG1 ILE 1 1HG1 ILE 1 -17.548 -1.772 3.679
8 1HG2 ILE 1 1HG2 ILE 1 -20.207 1.363 4.616
9 2HG2 ILE 1 2HG2 ILE 1 -19.726 0.435 6.037
10 3HG2 ILE 1 3HG2 ILE 1 -20.629 -0.345 4.737
11 1HD1 ILE 1 1HD1 ILE 1 -17.348 -2.641 5.749
12 2HD1 ILE 1 2HD1 ILE 1 -19.090 -2.555 6.014
13 3HD1 ILE 1 3HD1 ILE 1 -18.073 -1.156 6.364
14 H LEU 2 H LEU 2 -16.605 2.091 3.287
15 HA LEU 2 HA LEU 2 -14.909 1.899 1.129
16 1HB LEU 2 2HB LEU 2 -13.132 2.414 2.727
17 2HB LEU 2 1HB LEU 2 -14.615 3.222 3.238
18 HG LEU 2 HG LEU 2 -14.859 0.791 4.485
19 1HD1 LEU 2 1HD1 LEU 2 -12.253 1.151 5.516
20 2HD1 LEU 2 2HD1 LEU 2 -12.081 1.120 3.760
21 3HD1 LEU 2 3HD1 LEU 2 -12.854 -0.228 4.593
22 1HD2 LEU 2 1HD2 LEU 2 -13.788 2.159 6.477
23 2HD2 LEU 2 2HD2 LEU 2 -15.310 2.690 5.762
24 3HD2 LEU 2 3HD2 LEU 2 -13.799 3.479 5.307
25 HA PRO 3 HA PRO 3 -13.797 -2.370 0.897
26 1HB PRO 3 2HB PRO 3 -11.660 -2.108 -0.793
27 2HB PRO 3 1HB PRO 3 -13.343 -1.976 -1.338
28 1HG PRO 3 2HG PRO 3 -11.365 0.171 -0.767
29 2HG PRO 3 1HG PRO 3 -12.595 0.075 -2.037
30 1HD PRO 3 2HD PRO 3 -12.874 1.561 0.241
31 2HD PRO 3 1HD PRO 3 -14.240 0.903 -0.686
32 H TRP 4 H TRP 4 -11.310 -3.458 0.780
33 HA TRP 4 HA TRP 4 -9.429 -2.176 2.618
34 1HB TRP 4 2HB TRP 4 -11.300 -2.983 4.067
35 2HB TRP 4 1HB TRP 4 -11.006 -4.619 3.478
36 HD1 TRP 4 HD1 TRP 4 -8.963 -5.925 4.424
37 HE1 TRP 4 1HE TRP 4 -7.282 -5.459 6.323
38 HE3 TRP 4 3HE TRP 4 -9.982 -1.001 5.317
39 HZ2 TRP 4 2HZ TRP 4 -6.476 -3.286 7.998
40 HZ3 TRP 4 3HZ TRP 4 -8.745 0.242 7.068
41 HH2 TRP 4 HH2 TRP 4 -6.995 -0.893 8.409
42 H LYS 5 H LYS 5 -9.161 -3.199 0.027
43 HA LYS 5 HA LYS 5 -7.421 -5.587 0.484
44 1HB LYS 5 2HB LYS 5 -9.657 -5.029 -1.328
45 2HB LYS 5 1HB LYS 5 -8.230 -5.658 -2.150
46 1HG LYS 5 2HG LYS 5 -8.673 -7.722 -1.381
47 2HG LYS 5 1HG LYS 5 -8.606 -7.126 0.278
48 1HD LYS 5 2HD LYS 5 -10.800 -7.818 0.258
49 2HD LYS 5 1HD LYS 5 -11.030 -6.191 -0.385
50 1HE LYS 5 2HE LYS 5 -10.331 -8.070 -2.505
51 2HE LYS 5 1HE LYS 5 -11.804 -8.565 -1.647
52 1HZ LYS 5 1HZ LYS 5 -11.402 -5.729 -2.312
53 2HZ LYS 5 2HZ LYS 5 -12.852 -6.589 -2.100
54 3HZ LYS 5 3HZ LYS 5 -11.945 -6.784 -3.524
55 H TRP 6 H TRP 6 -7.143 -2.489 0.094
56 HA TRP 6 HA TRP 6 -5.736 -1.931 -2.283
57 1HB TRP 6 2HB TRP 6 -6.617 -0.273 -0.767
58 2HB TRP 6 1HB TRP 6 -5.603 -0.854 0.536
59 HD1 TRP 6 HD1 TRP 6 -3.006 -0.521 0.265
60 HE1 TRP 6 1HE TRP 6 -1.667 1.334 -0.980
61 HE3 TRP 6 3HE TRP 6 -6.649 1.164 -2.714
62 HZ2 TRP 6 2HZ TRP 6 -2.173 3.306 -3.043
63 HZ3 TRP 6 3HZ TRP 6 -6.269 3.027 -4.339
64 HH2 TRP 6 HH2 TRP 6 -4.029 4.093 -4.501
65 HA PRO 7 HA PRO 7 -1.933 -3.993 -1.395
66 1HB PRO 7 2HB PRO 7 -0.500 -3.025 -3.514
67 2HB PRO 7 1HB PRO 7 -1.798 -4.220 -3.678
68 1HG PRO 7 2HG PRO 7 -1.763 -1.403 -4.449
69 2HG PRO 7 1HG PRO 7 -2.862 -2.688 -4.954
70 1HD PRO 7 2HD PRO 7 -3.288 -0.626 -2.978
71 2HD PRO 7 1HD PRO 7 -4.433 -1.845 -3.577
72 H TRP 8 H TRP 8 0.635 -3.244 -1.804
73 HA TRP 8 HA TRP 8 2.295 -2.282 -0.416
74 1HB TRP 8 2HB TRP 8 1.213 0.148 -1.821
75 2HB TRP 8 1HB TRP 8 2.887 -0.323 -1.550
76 HD1 TRP 8 HD1 TRP 8 0.115 -0.654 -3.975
77 HE1 TRP 8 1HE TRP 8 0.811 -2.177 -5.938
78 HE3 TRP 8 3HE TRP 8 4.384 -2.610 -2.050
79 HZ2 TRP 8 2HZ TRP 8 2.922 -4.005 -6.587
80 HZ3 TRP 8 3HZ TRP 8 5.729 -4.245 -3.343
81 HH2 TRP 8 HH2 TRP 8 5.000 -4.948 -5.608
82 H TRP 9 H TRP 9 1.306 -2.479 1.717
83 HA TRP 9 HA TRP 9 -0.538 -0.835 2.956
84 1HB TRP 9 2HB TRP 9 0.325 -2.637 4.171
85 2HB TRP 9 1HB TRP 9 1.991 -2.175 3.843
86 HD1 TRP 9 HD1 TRP 9 2.921 -0.011 5.137
87 HE1 TRP 9 1HE TRP 9 2.314 0.939 7.458
88 HE3 TRP 9 3HE TRP 9 -1.549 -2.300 5.832
89 HZ2 TRP 9 2HZ TRP 9 0.176 0.740 9.364
90 HZ3 TRP 9 3HZ TRP 9 -2.869 -1.918 7.901
91 HH2 TRP 9 HH2 TRP 9 -2.012 -0.397 9.665
92 HA PRO 10 HA PRO 10 1.467 3.099 3.058
93 1HB PRO 10 2HB PRO 10 -0.417 4.378 4.575
94 2HB PRO 10 1HB PRO 10 -0.689 3.914 2.886
95 1HG PRO 10 2HG PRO 10 -1.868 2.815 5.305
96 2HG PRO 10 1HG PRO 10 -2.355 2.594 3.621
97 1HD PRO 10 2HD PRO 10 -0.807 0.824 5.324
98 2HD PRO 10 1HD PRO 10 -1.502 0.499 3.724
99 H TRP 11 H TRP 11 3.335 3.200 4.337
100 HA TRP 11 HA TRP 11 3.052 2.981 7.281
101 1HB TRP 11 2HB TRP 11 5.505 2.538 7.097
102 2HB TRP 11 1HB TRP 11 4.536 1.411 6.169
103 HD1 TRP 11 HD1 TRP 11 6.514 4.657 5.669
104 HE1 TRP 11 1HE TRP 11 7.388 4.682 3.227
105 HE3 TRP 11 3HE TRP 11 4.298 0.460 3.986
106 HZ2 TRP 11 2HZ TRP 11 7.139 3.068 0.849
107 HZ3 TRP 11 3HZ TRP 11 4.600 -0.314 1.634
108 HH2 TRP 11 HH2 TRP 11 6.017 0.991 0.067
109 H ARG 12 H ARG 12 5.208 4.366 8.123
110 HA ARG 12 HA ARG 12 5.680 6.587 8.809
111 1HB ARG 12 2HB ARG 12 7.235 6.007 7.013
112 2HB ARG 12 1HB ARG 12 6.058 6.523 5.807
113 1HG ARG 12 2HG ARG 12 6.150 8.753 7.318
114 2HG ARG 12 1HG ARG 12 7.786 8.152 7.585
115 1HD ARG 12 2HD ARG 12 7.850 9.598 5.631
116 2HD ARG 12 1HD ARG 12 7.995 7.928 5.050
117 HE ARG 12 HE ARG 12 5.438 8.045 4.758
118 1HH1 ARG 12 2HH1 ARG 12 6.929 9.444 2.559
119 2HH1 ARG 12 1HH1 ARG 12 6.129 10.979 2.501
120 1HH2 ARG 12 1HH2 ARG 12 4.637 10.616 5.610
121 2HH2 ARG 12 2HH2 ARG 12 4.831 11.642 4.229
122 H ARG 13 H ARG 13 3.238 6.938 9.239
123 HA ARG 13 HA ARG 13 2.306 9.206 7.528
124 1HB ARG 13 2HB ARG 13 1.207 6.547 7.776
125 2HB ARG 13 1HB ARG 13 0.046 7.724 8.388
126 1HG ARG 13 2HG ARG 13 -0.368 8.547 6.322
127 2HG ARG 13 1HG ARG 13 1.348 8.601 5.915
128 1HD ARG 13 2HD ARG 13 1.341 6.464 5.009
129 2HD ARG 13 1HD ARG 13 0.018 5.915 6.057
130 HE ARG 13 HE ARG 13 -1.514 6.768 4.469
131 1HH1 ARG 13 1HH1 ARG 13 -0.384 9.567 4.512
132 2HH1 ARG 13 2HH1 ARG 13 0.100 9.775 2.862
133 1HH2 ARG 13 1HH2 ARG 13 -0.021 6.389 2.124
134 2HH2 ARG 13 2HH2 ARG 13 0.305 7.975 1.510
135 1HN NH2 14 1HT ARG 13 0.560 10.507 8.753
136 2HN NH2 14 2HT ARG 13 0.660 10.579 10.447
Start of MODEL 5
1 1H ILE 1 1H ILE 1 -18.410 -0.755 0.724
2 2H ILE 1 2H ILE 1 -18.925 0.720 0.055
3 3H ILE 1 3H ILE 1 -19.918 -0.110 1.156
4 HA ILE 1 HA ILE 1 -18.627 1.886 2.052
5 HB ILE 1 HB ILE 1 -18.139 0.432 4.134
6 1HG1 ILE 1 2HG1 ILE 1 -19.370 -1.676 2.329
7 2HG1 ILE 1 1HG1 ILE 1 -17.668 -1.633 2.793
8 1HG2 ILE 1 1HG2 ILE 1 -20.286 0.918 4.603
9 2HG2 ILE 1 2HG2 ILE 1 -20.845 -0.352 3.515
10 3HG2 ILE 1 3HG2 ILE 1 -20.545 1.270 2.894
11 1HD1 ILE 1 1HD1 ILE 1 -18.585 -1.542 5.233
12 2HD1 ILE 1 2HD1 ILE 1 -18.594 -3.089 4.385
13 3HD1 ILE 1 3HD1 ILE 1 -20.079 -2.146 4.519
14 H LEU 2 H LEU 2 -16.538 2.278 3.212
15 HA LEU 2 HA LEU 2 -14.240 2.150 1.702
16 1HB LEU 2 2HB LEU 2 -13.058 2.431 3.839
17 2HB LEU 2 1HB LEU 2 -14.579 3.321 3.877
18 HG LEU 2 HG LEU 2 -15.311 0.804 4.779
19 1HD1 LEU 2 1HD1 LEU 2 -12.534 0.881 4.992
20 2HD1 LEU 2 2HD1 LEU 2 -13.611 -0.200 5.877
21 3HD1 LEU 2 3HD1 LEU 2 -13.092 1.318 6.608
22 1HD2 LEU 2 1HD2 LEU 2 -14.444 3.220 6.403
23 2HD2 LEU 2 2HD2 LEU 2 -15.501 1.926 6.969
24 3HD2 LEU 2 3HD2 LEU 2 -16.033 2.997 5.672
25 HA PRO 3 HA PRO 3 -13.814 -2.357 1.669
26 1HB PRO 3 2HB PRO 3 -12.173 -2.406 -0.522
27 2HB PRO 3 1HB PRO 3 -13.940 -2.288 -0.641
28 1HG PRO 3 2HG PRO 3 -11.880 -0.153 -0.876
29 2HG PRO 3 1HG PRO 3 -13.381 -0.381 -1.790
30 1HD PRO 3 2HD PRO 3 -13.117 1.416 0.245
31 2HD PRO 3 1HD PRO 3 -14.659 0.655 -0.199
32 H TRP 4 H TRP 4 -11.567 -3.649 1.338
33 HA TRP 4 HA TRP 4 -9.273 -2.135 2.447
34 1HB TRP 4 2HB TRP 4 -9.125 -4.082 4.173
35 2HB TRP 4 1HB TRP 4 -10.243 -2.753 4.469
36 HD1 TRP 4 HD1 TRP 4 -10.115 -6.439 3.731
37 HE1 TRP 4 1HE TRP 4 -12.510 -7.407 3.793
38 HE3 TRP 4 3HE TRP 4 -12.775 -2.113 3.957
39 HZ2 TRP 4 2HZ TRP 4 -15.213 -6.447 3.918
40 HZ3 TRP 4 3HZ TRP 4 -15.257 -2.151 4.046
41 HH2 TRP 4 HH2 TRP 4 -16.476 -4.311 4.024
42 H LYS 5 H LYS 5 -9.063 -2.986 0.001
43 HA LYS 5 HA LYS 5 -7.561 -5.568 0.149
44 1HB LYS 5 2HB LYS 5 -9.830 -4.696 -1.471
45 2HB LYS 5 1HB LYS 5 -8.491 -5.283 -2.457
46 1HG LYS 5 2HG LYS 5 -9.895 -6.761 -0.216
47 2HG LYS 5 1HG LYS 5 -9.897 -7.179 -1.929
48 1HD LYS 5 2HD LYS 5 -7.178 -6.948 -1.051
49 2HD LYS 5 1HD LYS 5 -8.041 -8.005 0.067
50 1HE LYS 5 2HE LYS 5 -9.003 -8.941 -2.303
51 2HE LYS 5 1HE LYS 5 -7.372 -8.438 -2.791
52 1HZ LYS 5 1HZ LYS 5 -8.082 -10.193 -0.502
53 2HZ LYS 5 2HZ LYS 5 -6.520 -9.591 -0.794
54 3HZ LYS 5 3HZ LYS 5 -7.247 -10.649 -1.907
55 H TRP 6 H TRP 6 -7.054 -2.463 -0.015
56 HA TRP 6 HA TRP 6 -5.607 -1.958 -2.418
57 1HB TRP 6 2HB TRP 6 -6.521 -0.256 -0.958
58 2HB TRP 6 1HB TRP 6 -5.537 -0.813 0.378
59 HD1 TRP 6 HD1 TRP 6 -2.939 -0.495 0.163
60 HE1 TRP 6 1HE TRP 6 -1.556 1.304 -1.116
61 HE3 TRP 6 3HE TRP 6 -6.494 1.100 -2.964
62 HZ2 TRP 6 2HZ TRP 6 -1.996 3.198 -3.264
63 HZ3 TRP 6 3HZ TRP 6 -6.062 2.897 -4.649
64 HH2 TRP 6 HH2 TRP 6 -3.810 3.941 -4.797
65 HA PRO 7 HA PRO 7 -1.882 -4.062 -1.334
66 1HB PRO 7 2HB PRO 7 -0.349 -3.165 -3.417
67 2HB PRO 7 1HB PRO 7 -1.659 -4.344 -3.605
68 1HG PRO 7 2HG PRO 7 -1.548 -1.545 -4.435
69 2HG PRO 7 1HG PRO 7 -2.644 -2.827 -4.958
70 1HD PRO 7 2HD PRO 7 -3.128 -0.715 -3.051
71 2HD PRO 7 1HD PRO 7 -4.261 -1.938 -3.665
72 H TRP 8 H TRP 8 0.710 -3.367 -1.656
73 HA TRP 8 HA TRP 8 2.330 -2.406 -0.221
74 1HB TRP 8 2HB TRP 8 1.368 0.029 -1.699
75 2HB TRP 8 1HB TRP 8 3.016 -0.496 -1.373
76 HD1 TRP 8 HD1 TRP 8 0.290 -0.780 -3.862
77 HE1 TRP 8 1HE TRP 8 0.996 -2.338 -5.794
78 HE3 TRP 8 3HE TRP 8 4.474 -2.805 -1.825
79 HZ2 TRP 8 2HZ TRP 8 3.082 -4.213 -6.380
80 HZ3 TRP 8 3HZ TRP 8 5.812 -4.479 -3.073
81 HH2 TRP 8 HH2 TRP 8 5.119 -5.189 -5.347
82 H TRP 9 H TRP 9 1.238 -2.543 1.872
83 HA TRP 9 HA TRP 9 -0.618 -0.862 3.020
84 1HB TRP 9 2HB TRP 9 0.213 -2.603 4.331
85 2HB TRP 9 1HB TRP 9 1.888 -2.183 3.990
86 HD1 TRP 9 HD1 TRP 9 2.830 0.049 5.177
87 HE1 TRP 9 1HE TRP 9 2.246 1.082 7.469
88 HE3 TRP 9 3HE TRP 9 -1.631 -2.216 6.003
89 HZ2 TRP 9 2HZ TRP 9 0.127 0.952 9.403
90 HZ3 TRP 9 3HZ TRP 9 -2.930 -1.759 8.070
91 HH2 TRP 9 HH2 TRP 9 -2.057 -0.172 9.767
92 HA PRO 10 HA PRO 10 1.350 3.086 3.025
93 1HB PRO 10 2HB PRO 10 -0.535 4.395 4.514
94 2HB PRO 10 1HB PRO 10 -0.809 3.883 2.840
95 1HG PRO 10 2HG PRO 10 -1.973 2.841 5.293
96 2HG PRO 10 1HG PRO 10 -2.468 2.577 3.618
97 1HD PRO 10 2HD PRO 10 -0.911 0.854 5.353
98 2HD PRO 10 1HD PRO 10 -1.600 0.490 3.758
99 H TRP 11 H TRP 11 3.234 3.153 4.288
100 HA TRP 11 HA TRP 11 2.979 3.061 7.240
101 1HB TRP 11 2HB TRP 11 5.425 2.595 7.048
102 2HB TRP 11 1HB TRP 11 4.447 1.451 6.147
103 HD1 TRP 11 HD1 TRP 11 6.388 4.712 5.552
104 HE1 TRP 11 1HE TRP 11 7.255 4.671 3.107
105 HE3 TRP 11 3HE TRP 11 4.237 0.426 4.015
106 HZ2 TRP 11 2HZ TRP 11 7.025 2.977 0.782
107 HZ3 TRP 11 3HZ TRP 11 4.544 -0.421 1.686
108 HH2 TRP 11 HH2 TRP 11 5.935 0.857 0.073
109 H ARG 12 H ARG 12 5.170 4.457 7.997
110 HA ARG 12 HA ARG 12 5.050 7.130 6.687
111 1HB ARG 12 2HB ARG 12 3.658 6.388 8.995
112 2HB ARG 12 1HB ARG 12 5.073 7.249 9.601
113 1HG ARG 12 2HG ARG 12 4.507 9.003 7.766
114 2HG ARG 12 1HG ARG 12 2.916 8.240 7.750
115 1HD ARG 12 2HD ARG 12 2.424 8.909 9.939
116 2HD ARG 12 1HD ARG 12 4.137 9.058 10.380
117 HE ARG 12 HE ARG 12 2.573 11.044 8.841
118 1HH1 ARG 12 2HH1 ARG 12 4.238 11.803 11.191
119 2HH1 ARG 12 1HH1 ARG 12 5.659 12.458 10.446
120 1HH2 ARG 12 1HH2 ARG 12 5.002 11.055 7.343
121 2HH2 ARG 12 2HH2 ARG 12 6.092 12.034 8.269
122 H ARG 13 H ARG 13 7.261 6.316 6.014
123 HA ARG 13 HA ARG 13 9.379 5.602 7.694
124 1HB ARG 13 2HB ARG 13 8.969 6.347 5.046
125 2HB ARG 13 1HB ARG 13 10.101 7.564 5.639
126 1HG ARG 13 2HG ARG 13 10.637 4.722 6.375
127 2HG ARG 13 1HG ARG 13 10.942 5.200 4.703
128 1HD ARG 13 2HD ARG 13 12.111 7.287 5.970
129 2HD ARG 13 1HD ARG 13 12.365 6.018 7.184
130 HE ARG 13 HE ARG 13 13.485 6.042 4.458
131 1HH1 ARG 13 1HH2 ARG 13 12.011 3.455 5.591
132 2HH1 ARG 13 2HH2 ARG 13 13.408 2.528 6.026
133 1HH2 ARG 13 1HH1 ARG 13 15.597 5.206 5.757
134 2HH2 ARG 13 2HH1 ARG 13 15.439 3.518 6.121
135 1HN NH2 14 1HT ARG 13 11.333 7.246 8.178
136 2HN NH2 14 2HT ARG 13 10.889 8.698 8.937
Start of MODEL 6
1 1H ILE 1 1H ILE 1 -18.987 -3.127 -0.647
2 2H ILE 1 2H ILE 1 -20.512 -3.204 0.097
3 3H ILE 1 3H ILE 1 -19.125 -3.693 0.946
4 HA ILE 1 HA ILE 1 -19.981 -0.951 0.245
5 HB ILE 1 HB ILE 1 -18.815 -1.927 2.822
6 1HG1 ILE 1 2HG1 ILE 1 -21.585 -2.585 1.781
7 2HG1 ILE 1 1HG1 ILE 1 -20.366 -3.714 2.372
8 1HG2 ILE 1 1HG2 ILE 1 -21.290 -0.334 2.749
9 2HG2 ILE 1 2HG2 ILE 1 -19.910 0.442 1.974
10 3HG2 ILE 1 3HG2 ILE 1 -19.804 -0.064 3.661
11 1HD1 ILE 1 1HD1 ILE 1 -20.551 -2.811 4.625
12 2HD1 ILE 1 2HD1 ILE 1 -22.161 -3.251 4.053
13 3HD1 ILE 1 3HD1 ILE 1 -21.660 -1.560 4.067
14 H LEU 2 H LEU 2 -18.048 0.269 1.918
15 HA LEU 2 HA LEU 2 -15.918 0.907 0.295
16 1HB LEU 2 2HB LEU 2 -14.737 1.420 2.448
17 2HB LEU 2 1HB LEU 2 -16.411 1.969 2.441
18 HG LEU 2 HG LEU 2 -16.271 -0.768 3.355
19 1HD1 LEU 2 1HD1 LEU 2 -15.096 0.730 5.521
20 2HD1 LEU 2 2HD1 LEU 2 -14.031 0.786 4.116
21 3HD1 LEU 2 3HD1 LEU 2 -14.531 -0.768 4.783
22 1HD2 LEU 2 1HD2 LEU 2 -18.134 0.782 3.771
23 2HD2 LEU 2 2HD2 LEU 2 -17.063 1.841 4.690
24 3HD2 LEU 2 3HD2 LEU 2 -17.449 0.231 5.300
25 HA PRO 3 HA PRO 3 -13.649 -2.867 -0.111
26 1HB PRO 3 2HB PRO 3 -11.367 -1.792 -1.178
27 2HB PRO 3 1HB PRO 3 -12.862 -2.008 -2.110
28 1HG PRO 3 2HG PRO 3 -11.776 0.448 -0.820
29 2HG PRO 3 1HG PRO 3 -12.579 0.258 -2.386
30 1HD PRO 3 2HD PRO 3 -13.844 1.225 -0.186
31 2HD PRO 3 1HD PRO 3 -14.678 0.321 -1.467
32 H TRP 4 H TRP 4 -11.301 -3.597 0.501
33 HA TRP 4 HA TRP 4 -9.958 -2.092 2.617
34 1HB TRP 4 2HB TRP 4 -12.034 -3.036 3.678
35 2HB TRP 4 1HB TRP 4 -11.445 -4.649 3.280
36 HD1 TRP 4 HD1 TRP 4 -9.480 -5.639 4.696
37 HE1 TRP 4 1HE TRP 4 -8.337 -4.895 6.885
38 HE3 TRP 4 3HE TRP 4 -11.310 -0.887 5.075
39 HZ2 TRP 4 2HZ TRP 4 -8.214 -2.588 8.571
40 HZ3 TRP 4 3HZ TRP 4 -10.665 0.560 6.980
41 HH2 TRP 4 HH2 TRP 4 -9.121 -0.284 8.727
42 H LYS 5 H LYS 5 -9.148 -3.231 0.162
43 HA LYS 5 HA LYS 5 -7.247 -5.338 1.103
44 1HB LYS 5 2HB LYS 5 -9.276 -5.279 -1.007
45 2HB LYS 5 1HB LYS 5 -7.687 -5.771 -1.587
46 1HG LYS 5 2HG LYS 5 -7.894 -7.784 -0.604
47 2HG LYS 5 1HG LYS 5 -8.238 -7.026 0.950
48 1HD LYS 5 2HD LYS 5 -10.277 -8.017 0.681
49 2HD LYS 5 1HD LYS 5 -10.597 -6.600 -0.320
50 1HE LYS 5 2HE LYS 5 -10.851 -7.929 -2.134
51 2HE LYS 5 1HE LYS 5 -9.213 -8.572 -1.904
52 1HZ LYS 5 1HZ LYS 5 -11.568 -9.440 -0.319
53 2HZ LYS 5 2HZ LYS 5 -10.014 -10.129 -0.309
54 3HZ LYS 5 3HZ LYS 5 -11.001 -10.271 -1.684
55 H TRP 6 H TRP 6 -7.225 -2.307 0.478
56 HA TRP 6 HA TRP 6 -5.830 -1.517 -1.732
57 1HB TRP 6 2HB TRP 6 -6.529 -0.023 -0.015
58 2HB TRP 6 1HB TRP 6 -5.559 -0.841 1.192
59 HD1 TRP 6 HD1 TRP 6 -2.941 -0.654 0.937
60 HE1 TRP 6 1HE TRP 6 -1.487 1.274 -0.036
61 HE3 TRP 6 3HE TRP 6 -6.472 1.685 -1.724
62 HZ2 TRP 6 2HZ TRP 6 -1.864 3.553 -1.783
63 HZ3 TRP 6 3HZ TRP 6 -5.970 3.735 -3.064
64 HH2 TRP 6 HH2 TRP 6 -3.664 4.664 -3.092
65 HA PRO 7 HA PRO 7 -2.034 -3.763 -1.375
66 1HB PRO 7 2HB PRO 7 -0.849 -2.726 -3.627
67 2HB PRO 7 1HB PRO 7 -2.167 -3.909 -3.667
68 1HG PRO 7 2HG PRO 7 -2.198 -1.090 -4.387
69 2HG PRO 7 1HG PRO 7 -3.397 -2.343 -4.721
70 1HD PRO 7 2HD PRO 7 -3.421 -0.306 -2.653
71 2HD PRO 7 1HD PRO 7 -4.715 -1.420 -3.145
72 H TRP 8 H TRP 8 0.501 -2.908 -2.147
73 HA TRP 8 HA TRP 8 2.327 -2.006 -0.936
74 1HB TRP 8 2HB TRP 8 1.049 0.576 -1.730
75 2HB TRP 8 1HB TRP 8 2.701 0.021 -1.971
76 HD1 TRP 8 HD1 TRP 8 -0.692 0.018 -3.530
77 HE1 TRP 8 1HE TRP 8 -0.588 -1.076 -5.866
78 HE3 TRP 8 3HE TRP 8 3.993 -1.922 -3.344
79 HZ2 TRP 8 2HZ TRP 8 1.264 -2.595 -7.439
80 HZ3 TRP 8 3HZ TRP 8 4.919 -3.196 -5.262
81 HH2 TRP 8 HH2 TRP 8 3.557 -3.538 -7.308
82 H TRP 9 H TRP 9 1.669 -2.533 1.270
83 HA TRP 9 HA TRP 9 -0.015 -1.336 3.034
84 1HB TRP 9 2HB TRP 9 1.378 -3.003 3.870
85 2HB TRP 9 1HB TRP 9 2.832 -2.239 3.234
86 HD1 TRP 9 HD1 TRP 9 3.671 -0.016 4.499
87 HE1 TRP 9 1HE TRP 9 3.494 0.653 6.988
88 HE3 TRP 9 3HE TRP 9 -0.068 -3.125 5.934
89 HZ2 TRP 9 2HZ TRP 9 1.936 -0.059 9.293
90 HZ3 TRP 9 3HZ TRP 9 -0.898 -3.125 8.276
91 HH2 TRP 9 HH2 TRP 9 0.098 -1.592 9.953
92 HA PRO 10 HA PRO 10 1.191 2.897 3.208
93 1HB PRO 10 2HB PRO 10 -0.511 3.638 5.216
94 2HB PRO 10 1HB PRO 10 -1.061 3.263 3.573
95 1HG PRO 10 2HG PRO 10 -1.444 1.753 6.031
96 2HG PRO 10 1HG PRO 10 -2.256 1.583 4.471
97 1HD PRO 10 2HD PRO 10 -0.086 0.012 5.573
98 2HD PRO 10 1HD PRO 10 -1.039 -0.289 4.108
99 H TRP 11 H TRP 11 3.122 3.538 4.125
100 HA TRP 11 HA TRP 11 3.641 2.892 6.979
101 1HB TRP 11 2HB TRP 11 6.010 3.105 6.206
102 2HB TRP 11 1HB TRP 11 5.118 1.869 5.343
103 HD1 TRP 11 HD1 TRP 11 6.188 5.525 4.958
104 HE1 TRP 11 1HE TRP 11 6.372 6.035 2.422
105 HE3 TRP 11 3HE TRP 11 4.488 1.146 3.134
106 HZ2 TRP 11 2HZ TRP 11 5.833 4.697 -0.076
107 HZ3 TRP 11 3HZ TRP 11 4.311 0.745 0.680
108 HH2 TRP 11 HH2 TRP 11 4.982 2.520 -0.923
109 H ARG 12 H ARG 12 5.590 4.691 7.532
110 HA ARG 12 HA ARG 12 4.148 7.186 7.863
111 1HB ARG 12 2HB ARG 12 5.725 6.197 9.504
112 2HB ARG 12 1HB ARG 12 7.043 6.422 8.353
113 1HG ARG 12 2HG ARG 12 6.929 8.776 8.496
114 2HG ARG 12 1HG ARG 12 5.318 8.739 9.218
115 1HD ARG 12 2HD ARG 12 6.438 7.479 11.189
116 2HD ARG 12 1HD ARG 12 7.968 8.071 10.512
117 HE ARG 12 HE ARG 12 5.752 9.804 11.501
118 1HH1 ARG 12 1HH2 ARG 12 8.965 9.300 11.897
119 2HH1 ARG 12 2HH2 ARG 12 9.482 10.914 11.542
120 1HH2 ARG 12 2HH1 ARG 12 6.391 11.921 10.334
121 2HH2 ARG 12 1HH1 ARG 12 8.025 12.399 10.658
122 H ARG 13 H ARG 13 4.217 6.886 5.140
123 HA ARG 13 HA ARG 13 6.486 7.893 3.750
124 1HB ARG 13 2HB ARG 13 4.547 6.804 2.706
125 2HB ARG 13 1HB ARG 13 3.511 8.145 3.196
126 1HG ARG 13 2HG ARG 13 4.219 8.360 0.829
127 2HG ARG 13 1HG ARG 13 4.826 9.692 1.815
128 1HD ARG 13 2HD ARG 13 7.003 8.464 2.054
129 2HD ARG 13 1HD ARG 13 6.388 7.242 0.924
130 HE ARG 13 HE ARG 13 5.968 9.333 -0.609
131 1HH1 ARG 13 1HH1 ARG 13 7.587 10.820 1.661
132 2HH1 ARG 13 2HH1 ARG 13 9.096 11.023 0.837
133 1HH2 ARG 13 1HH2 ARG 13 8.324 8.772 -1.686
134 2HH2 ARG 13 2HH2 ARG 13 9.514 9.863 -1.057
135 1HN NH2 14 1HT ARG 13 7.282 9.727 5.115
136 2HN NH2 14 2HT ARG 13 6.504 11.234 5.061
Start of MODEL 7
1 1H ILE 1 1H ILE 1 -19.790 0.091 0.383
2 2H ILE 1 2H ILE 1 -20.426 -1.272 1.175
3 3H ILE 1 3H ILE 1 -18.886 -1.341 0.459
4 HA ILE 1 HA ILE 1 -19.420 0.624 2.597
5 HB ILE 1 HB ILE 1 -18.534 -1.297 4.095
6 1HG1 ILE 1 2HG1 ILE 1 -19.759 -3.036 1.954
7 2HG1 ILE 1 1HG1 ILE 1 -18.033 -2.675 1.945
8 1HG2 ILE 1 1HG2 ILE 1 -20.694 -1.661 4.756
9 2HG2 ILE 1 2HG2 ILE 1 -21.235 -2.057 3.125
10 3HG2 ILE 1 3HG2 ILE 1 -21.031 -0.371 3.601
11 1HD1 ILE 1 1HD1 ILE 1 -17.863 -4.470 3.328
12 2HD1 ILE 1 2HD1 ILE 1 -19.576 -4.423 3.750
13 3HD1 ILE 1 3HD1 ILE 1 -18.437 -3.359 4.571
14 H LEU 2 H LEU 2 -17.310 0.941 3.781
15 HA LEU 2 HA LEU 2 -15.164 1.715 2.244
16 1HB LEU 2 2HB LEU 2 -13.834 1.394 4.312
17 2HB LEU 2 1HB LEU 2 -15.431 2.047 4.679
18 HG LEU 2 HG LEU 2 -15.736 -0.759 4.663
19 1HD1 LEU 2 1HD1 LEU 2 -13.178 -0.705 4.866
20 2HD1 LEU 2 2HD1 LEU 2 -14.046 -1.599 6.113
21 3HD1 LEU 2 3HD1 LEU 2 -13.428 0.017 6.456
22 1HD2 LEU 2 1HD2 LEU 2 -16.201 1.505 6.337
23 2HD2 LEU 2 2HD2 LEU 2 -15.445 0.256 7.328
24 3HD2 LEU 2 3HD2 LEU 2 -16.935 -0.095 6.450
25 HA PRO 3 HA PRO 3 -13.620 -2.073 0.528
26 1HB PRO 3 2HB PRO 3 -11.324 -1.043 -0.544
27 2HB PRO 3 1HB PRO 3 -12.923 -0.795 -1.272
28 1HG PRO 3 2HG PRO 3 -11.300 1.052 0.400
29 2HG PRO 3 1HG PRO 3 -12.337 1.403 -0.991
30 1HD PRO 3 2HD PRO 3 -13.072 1.836 1.609
31 2HD PRO 3 1HD PRO 3 -14.221 1.543 0.287
32 H TRP 4 H TRP 4 -11.141 -3.026 0.486
33 HA TRP 4 HA TRP 4 -9.424 -2.397 2.703
34 1HB TRP 4 2HB TRP 4 -11.513 -3.187 3.858
35 2HB TRP 4 1HB TRP 4 -11.294 -4.753 3.074
36 HD1 TRP 4 HD1 TRP 4 -9.426 -6.338 3.973
37 HE1 TRP 4 1HE TRP 4 -7.908 -6.278 6.058
38 HE3 TRP 4 3HE TRP 4 -10.212 -1.528 5.499
39 HZ2 TRP 4 2HZ TRP 4 -7.130 -4.431 8.103
40 HZ3 TRP 4 3HZ TRP 4 -9.072 -0.645 7.515
41 HH2 TRP 4 HH2 TRP 4 -7.535 -2.090 8.817
42 H LYS 5 H LYS 5 -9.019 -3.063 0.018
43 HA LYS 5 HA LYS 5 -7.493 -5.610 0.279
44 1HB LYS 5 2HB LYS 5 -9.732 -4.861 -1.448
45 2HB LYS 5 1HB LYS 5 -8.344 -5.473 -2.346
46 1HG LYS 5 2HG LYS 5 -8.643 -7.579 -1.573
47 2HG LYS 5 1HG LYS 5 -8.909 -7.014 0.075
48 1HD LYS 5 2HD LYS 5 -11.062 -7.645 -0.262
49 2HD LYS 5 1HD LYS 5 -11.191 -6.151 -1.191
50 1HE LYS 5 2HE LYS 5 -11.158 -7.251 -3.221
51 2HE LYS 5 1HE LYS 5 -10.107 -8.547 -2.616
52 1HZ LYS 5 1HZ LYS 5 -12.208 -8.894 -1.053
53 2HZ LYS 5 2HZ LYS 5 -12.060 -9.667 -2.558
54 3HZ LYS 5 3HZ LYS 5 -13.004 -8.263 -2.412
55 H TRP 6 H TRP 6 -7.050 -2.517 0.072
56 HA TRP 6 HA TRP 6 -5.619 -1.974 -2.324
57 1HB TRP 6 2HB TRP 6 -6.542 -0.304 -0.829
58 2HB TRP 6 1HB TRP 6 -5.522 -0.858 0.482
59 HD1 TRP 6 HD1 TRP 6 -2.935 -0.502 0.220
60 HE1 TRP 6 1HE TRP 6 -1.600 1.328 -1.067
61 HE3 TRP 6 3HE TRP 6 -6.567 1.076 -2.827
62 HZ2 TRP 6 2HZ TRP 6 -2.105 3.237 -3.187
63 HZ3 TRP 6 3HZ TRP 6 -6.190 2.895 -4.501
64 HH2 TRP 6 HH2 TRP 6 -3.956 3.972 -4.680
65 HA PRO 7 HA PRO 7 -1.846 -4.035 -1.315
66 1HB PRO 7 2HB PRO 7 -0.369 -3.105 -3.423
67 2HB PRO 7 1HB PRO 7 -1.668 -4.297 -3.595
68 1HG PRO 7 2HG PRO 7 -1.607 -1.492 -4.405
69 2HG PRO 7 1HG PRO 7 -2.700 -2.783 -4.914
70 1HD PRO 7 2HD PRO 7 -3.163 -0.690 -2.978
71 2HD PRO 7 1HD PRO 7 -4.297 -1.917 -3.584
72 H TRP 8 H TRP 8 0.739 -3.264 -1.717
73 HA TRP 8 HA TRP 8 2.376 -2.274 -0.322
74 1HB TRP 8 2HB TRP 8 1.230 0.114 -1.752
75 2HB TRP 8 1HB TRP 8 2.916 -0.271 -1.425
76 HD1 TRP 8 HD1 TRP 8 0.271 -0.720 -3.957
77 HE1 TRP 8 1HE TRP 8 1.103 -2.241 -5.869
78 HE3 TRP 8 3HE TRP 8 4.491 -2.536 -1.810
79 HZ2 TRP 8 2HZ TRP 8 3.295 -4.016 -6.397
80 HZ3 TRP 8 3HZ TRP 8 5.945 -4.143 -3.017
81 HH2 TRP 8 HH2 TRP 8 5.349 -4.889 -5.306
82 H TRP 9 H TRP 9 1.329 -2.498 1.808
83 HA TRP 9 HA TRP 9 -0.524 -0.868 3.035
84 1HB TRP 9 2HB TRP 9 0.351 -2.606 4.312
85 2HB TRP 9 1HB TRP 9 2.012 -2.192 3.906
86 HD1 TRP 9 HD1 TRP 9 3.019 0.017 5.076
87 HE1 TRP 9 1HE TRP 9 2.539 1.030 7.403
88 HE3 TRP 9 3HE TRP 9 -1.421 -2.226 6.066
89 HZ2 TRP 9 2HZ TRP 9 0.503 0.891 9.424
90 HZ3 TRP 9 3HZ TRP 9 -2.628 -1.784 8.191
91 HH2 TRP 9 HH2 TRP 9 -1.672 -0.224 9.868
92 HA PRO 10 HA PRO 10 1.383 3.102 3.035
93 1HB PRO 10 2HB PRO 10 -0.472 4.370 4.597
94 2HB PRO 10 1HB PRO 10 -0.792 3.873 2.924
95 1HG PRO 10 2HG PRO 10 -1.861 2.786 5.402
96 2HG PRO 10 1HG PRO 10 -2.406 2.537 3.739
97 1HD PRO 10 2HD PRO 10 -0.776 0.808 5.399
98 2HD PRO 10 1HD PRO 10 -1.505 0.462 3.820
99 H TRP 11 H TRP 11 3.301 3.193 4.234
100 HA TRP 11 HA TRP 11 3.157 3.021 7.184
101 1HB TRP 11 2HB TRP 11 5.628 2.738 6.885
102 2HB TRP 11 1HB TRP 11 4.683 1.534 6.027
103 HD1 TRP 11 HD1 TRP 11 6.379 4.914 5.357
104 HE1 TRP 11 1HE TRP 11 7.135 4.937 2.875
105 HE3 TRP 11 3HE TRP 11 4.441 0.503 3.895
106 HZ2 TRP 11 2HZ TRP 11 6.908 3.234 0.552
107 HZ3 TRP 11 3HZ TRP 11 4.695 -0.318 1.551
108 HH2 TRP 11 HH2 TRP 11 5.925 1.051 -0.117
109 H ARG 12 H ARG 12 5.179 4.507 8.007
110 HA ARG 12 HA ARG 12 5.113 7.182 6.738
111 1HB ARG 12 2HB ARG 12 3.360 6.394 8.764
112 2HB ARG 12 1HB ARG 12 4.618 7.295 9.610
113 1HG ARG 12 2HG ARG 12 4.156 8.816 7.337
114 2HG ARG 12 1HG ARG 12 2.545 8.260 7.791
115 1HD ARG 12 2HD ARG 12 3.057 10.382 8.944
116 2HD ARG 12 1HD ARG 12 2.975 9.064 10.131
117 HE ARG 12 HE ARG 12 5.411 9.033 10.203
118 1HH1 ARG 12 1HH2 ARG 12 4.030 11.980 9.574
119 2HH1 ARG 12 2HH2 ARG 12 5.442 12.719 8.897
120 1HH2 ARG 12 2HH1 ARG 12 7.243 9.759 8.745
121 2HH2 ARG 12 1HH1 ARG 12 7.262 11.463 8.428
122 H ARG 13 H ARG 13 7.437 6.274 6.509
123 HA ARG 13 HA ARG 13 8.988 6.875 9.010
124 1HB ARG 13 2HB ARG 13 9.325 4.773 6.856
125 2HB ARG 13 1HB ARG 13 10.614 5.172 7.992
126 1HG ARG 13 2HG ARG 13 8.768 4.813 9.814
127 2HG ARG 13 1HG ARG 13 7.937 3.917 8.542
128 1HD ARG 13 2HD ARG 13 9.872 2.437 8.267
129 2HD ARG 13 1HD ARG 13 10.778 3.367 9.476
130 HE ARG 13 HE ARG 13 8.300 2.641 10.648
131 1HH1 ARG 13 1HH2 ARG 13 9.847 0.390 8.851
132 2HH1 ARG 13 2HH2 ARG 13 10.367 -0.616 10.161
133 1HH2 ARG 13 1HH1 ARG 13 9.550 1.697 12.612
134 2HH2 ARG 13 2HH1 ARG 13 10.200 0.125 12.291
135 1HN NH2 14 1HT ARG 13 8.228 8.541 6.468
136 2HN NH2 14 2HT ARG 13 9.724 9.114 5.910
Start of MODEL 8
1 1H ILE 1 1H ILE 1 -18.545 -0.579 3.583
2 2H ILE 1 2H ILE 1 -19.595 0.612 2.979
3 3H ILE 1 3H ILE 1 -19.573 0.255 4.641
4 HA ILE 1 HA ILE 1 -18.323 2.353 3.756
5 HB ILE 1 HB ILE 1 -16.664 1.820 5.657
6 1HG1 ILE 1 2HG1 ILE 1 -18.364 -0.553 6.257
7 2HG1 ILE 1 1HG1 ILE 1 -17.122 -0.757 5.022
8 1HG2 ILE 1 1HG2 ILE 1 -19.268 1.147 6.804
9 2HG2 ILE 1 2HG2 ILE 1 -19.366 2.479 5.651
10 3HG2 ILE 1 3HG2 ILE 1 -18.280 2.591 7.036
11 1HD1 ILE 1 1HD1 ILE 1 -15.420 0.104 6.599
12 2HD1 ILE 1 2HD1 ILE 1 -16.226 -1.328 7.243
13 3HD1 ILE 1 3HD1 ILE 1 -16.665 0.273 7.838
14 H LEU 2 H LEU 2 -15.903 2.830 3.509
15 HA LEU 2 HA LEU 2 -14.771 1.931 1.175
16 1HB LEU 2 2HB LEU 2 -12.679 2.747 2.085
17 2HB LEU 2 1HB LEU 2 -13.977 3.726 2.769
18 HG LEU 2 HG LEU 2 -13.929 1.870 4.665
19 1HD1 LEU 2 1HD1 LEU 2 -11.104 1.723 4.644
20 2HD1 LEU 2 2HD1 LEU 2 -11.632 1.242 3.031
21 3HD1 LEU 2 3HD1 LEU 2 -12.244 0.392 4.450
22 1HD2 LEU 2 1HD2 LEU 2 -13.512 4.214 5.107
23 2HD2 LEU 2 2HD2 LEU 2 -11.929 4.127 4.335
24 3HD2 LEU 2 3HD2 LEU 2 -12.214 3.287 5.859
25 HA PRO 3 HA PRO 3 -13.858 -2.338 1.916
26 1HB PRO 3 2HB PRO 3 -12.311 -2.751 -0.304
27 2HB PRO 3 1HB PRO 3 -14.080 -2.623 -0.371
28 1HG PRO 3 2HG PRO 3 -12.007 -0.592 -1.026
29 2HG PRO 3 1HG PRO 3 -13.554 -0.926 -1.822
30 1HD PRO 3 2HD PRO 3 -13.153 1.157 -0.097
31 2HD PRO 3 1HD PRO 3 -14.732 0.387 -0.369
32 H TRP 4 H TRP 4 -11.508 -3.627 1.418
33 HA TRP 4 HA TRP 4 -9.250 -1.980 2.384
34 1HB TRP 4 2HB TRP 4 -8.986 -3.898 4.185
35 2HB TRP 4 1HB TRP 4 -10.012 -2.500 4.495
36 HD1 TRP 4 HD1 TRP 4 -10.132 -6.220 3.831
37 HE1 TRP 4 1HE TRP 4 -12.552 -7.058 4.176
38 HE3 TRP 4 3HE TRP 4 -12.525 -1.757 4.301
39 HZ2 TRP 4 2HZ TRP 4 -15.168 -5.957 4.595
40 HZ3 TRP 4 3HZ TRP 4 -14.981 -1.666 4.672
41 HH2 TRP 4 HH2 TRP 4 -16.302 -3.760 4.817
42 H LYS 5 H LYS 5 -9.051 -2.930 0.000
43 HA LYS 5 HA LYS 5 -7.520 -5.492 0.215
44 1HB LYS 5 2HB LYS 5 -9.774 -4.646 -1.448
45 2HB LYS 5 1HB LYS 5 -8.430 -5.274 -2.398
46 1HG LYS 5 2HG LYS 5 -9.893 -6.671 -0.142
47 2HG LYS 5 1HG LYS 5 -9.855 -7.144 -1.840
48 1HD LYS 5 2HD LYS 5 -7.155 -6.917 -0.930
49 2HD LYS 5 1HD LYS 5 -8.045 -7.896 0.238
50 1HE LYS 5 2HE LYS 5 -8.585 -8.500 -2.627
51 2HE LYS 5 1HE LYS 5 -6.983 -8.958 -2.012
52 1HZ LYS 5 1HZ LYS 5 -7.981 -10.108 -0.193
53 2HZ LYS 5 2HZ LYS 5 -8.727 -10.665 -1.615
54 3HZ LYS 5 3HZ LYS 5 -9.530 -9.556 -0.608
55 H TRP 6 H TRP 6 -7.016 -2.397 0.005
56 HA TRP 6 HA TRP 6 -5.582 -1.882 -2.393
57 1HB TRP 6 2HB TRP 6 -6.450 -0.194 -0.895
58 2HB TRP 6 1HB TRP 6 -5.463 -0.790 0.422
59 HD1 TRP 6 HD1 TRP 6 -2.860 -0.511 0.186
60 HE1 TRP 6 1HE TRP 6 -1.465 1.297 -1.066
61 HE3 TRP 6 3HE TRP 6 -6.426 1.213 -2.865
62 HZ2 TRP 6 2HZ TRP 6 -1.900 3.249 -3.163
63 HZ3 TRP 6 3HZ TRP 6 -5.983 3.044 -4.509
64 HH2 TRP 6 HH2 TRP 6 -3.719 4.058 -4.656
65 HA PRO 7 HA PRO 7 -1.860 -4.047 -1.410
66 1HB PRO 7 2HB PRO 7 -0.344 -3.110 -3.486
67 2HB PRO 7 1HB PRO 7 -1.667 -4.272 -3.691
68 1HG PRO 7 2HG PRO 7 -1.539 -1.454 -4.449
69 2HG PRO 7 1HG PRO 7 -2.655 -2.711 -4.990
70 1HD PRO 7 2HD PRO 7 -3.091 -0.643 -3.024
71 2HD PRO 7 1HD PRO 7 -4.245 -1.838 -3.655
72 H TRP 8 H TRP 8 0.738 -3.367 -1.741
73 HA TRP 8 HA TRP 8 2.380 -2.450 -0.299
74 1HB TRP 8 2HB TRP 8 1.408 0.021 -1.711
75 2HB TRP 8 1HB TRP 8 3.059 -0.506 -1.406
76 HD1 TRP 8 HD1 TRP 8 0.324 -0.735 -3.891
77 HE1 TRP 8 1HE TRP 8 1.025 -2.249 -5.860
78 HE3 TRP 8 3HE TRP 8 4.510 -2.808 -1.909
79 HZ2 TRP 8 2HZ TRP 8 3.110 -4.112 -6.494
80 HZ3 TRP 8 3HZ TRP 8 5.846 -4.454 -3.199
81 HH2 TRP 8 HH2 TRP 8 5.147 -5.111 -5.486
82 H TRP 9 H TRP 9 1.336 -2.631 1.802
83 HA TRP 9 HA TRP 9 -0.521 -1.046 3.044
84 1HB TRP 9 2HB TRP 9 0.462 -2.759 4.294
85 2HB TRP 9 1HB TRP 9 2.095 -2.216 3.922
86 HD1 TRP 9 HD1 TRP 9 2.917 0.042 5.134
87 HE1 TRP 9 1HE TRP 9 2.306 1.015 7.444
88 HE3 TRP 9 3HE TRP 9 -1.385 -2.498 5.996
89 HZ2 TRP 9 2HZ TRP 9 0.229 0.735 9.406
90 HZ3 TRP 9 3HZ TRP 9 -2.678 -2.143 8.087
91 HH2 TRP 9 HH2 TRP 9 -1.877 -0.525 9.788
92 HA PRO 10 HA PRO 10 1.228 3.004 3.020
93 1HB PRO 10 2HB PRO 10 -0.706 4.197 4.545
94 2HB PRO 10 1HB PRO 10 -0.979 3.676 2.872
95 1HG PRO 10 2HG PRO 10 -2.040 2.563 5.340
96 2HG PRO 10 1HG PRO 10 -2.541 2.269 3.670
97 1HD PRO 10 2HD PRO 10 -0.852 0.645 5.383
98 2HD PRO 10 1HD PRO 10 -1.553 0.237 3.805
99 H TRP 11 H TRP 11 3.125 3.171 4.257
100 HA TRP 11 HA TRP 11 2.913 3.046 7.209
101 1HB TRP 11 2HB TRP 11 5.392 2.777 6.980
102 2HB TRP 11 1HB TRP 11 4.485 1.554 6.112
103 HD1 TRP 11 HD1 TRP 11 6.196 4.923 5.457
104 HE1 TRP 11 1HE TRP 11 7.014 4.930 2.997
105 HE3 TRP 11 3HE TRP 11 4.288 0.507 3.974
106 HZ2 TRP 11 2HZ TRP 11 6.845 3.217 0.682
107 HZ3 TRP 11 3HZ TRP 11 4.601 -0.326 1.644
108 HH2 TRP 11 HH2 TRP 11 5.878 1.030 -0.001
109 H ARG 12 H ARG 12 4.984 4.601 7.969
110 HA ARG 12 HA ARG 12 5.307 6.870 8.586
111 1HB ARG 12 2HB ARG 12 6.868 6.361 6.778
112 2HB ARG 12 1HB ARG 12 5.632 6.741 5.579
113 1HG ARG 12 2HG ARG 12 5.625 9.001 7.135
114 2HG ARG 12 1HG ARG 12 7.330 8.547 7.161
115 1HD ARG 12 2HD ARG 12 7.590 9.304 5.040
116 2HD ARG 12 1HD ARG 12 6.277 8.249 4.477
117 HE ARG 12 HE ARG 12 4.735 10.047 4.790
118 1HH1 ARG 12 1HH2 ARG 12 6.629 10.712 7.331
119 2HH1 ARG 12 2HH2 ARG 12 6.871 12.397 7.009
120 1HH2 ARG 12 2HH1 ARG 12 5.581 12.239 3.794
121 2HH2 ARG 12 1HH1 ARG 12 6.279 13.262 5.006
122 H ARG 13 H ARG 13 2.664 6.703 8.787
123 HA ARG 13 HA ARG 13 0.625 7.853 8.535
124 1HB ARG 13 2HB ARG 13 1.069 10.020 9.054
125 2HB ARG 13 1HB ARG 13 2.767 9.587 8.899
126 1HG ARG 13 2HG ARG 13 2.822 10.337 6.602
127 2HG ARG 13 1HG ARG 13 1.071 10.553 6.578
128 1HD ARG 13 2HD ARG 13 2.466 12.024 8.739
129 2HD ARG 13 1HD ARG 13 2.820 12.585 7.092
130 HE ARG 13 HE ARG 13 0.314 12.694 6.751
131 1HH1 ARG 13 1HH1 ARG 13 -0.468 11.313 9.292
132 2HH1 ARG 13 2HH1 ARG 13 -0.883 12.646 10.317
133 1HH2 ARG 13 1HH2 ARG 13 0.706 15.006 8.338
134 2HH2 ARG 13 2HH2 ARG 13 -0.218 14.737 9.777
135 1HN NH2 14 1HT ARG 13 -0.732 9.143 6.786
136 2HN NH2 14 2HT ARG 13 -0.452 8.722 5.166
Start of MODEL 9
1 1H ILE 1 1H ILE 1 -17.365 -0.222 -2.472
2 2H ILE 1 2H ILE 1 -18.825 -0.621 -1.704
3 3H ILE 1 3H ILE 1 -17.349 -1.175 -1.070
4 HA ILE 1 HA ILE 1 -17.714 1.725 -1.343
5 HB ILE 1 HB ILE 1 -18.840 1.534 0.975
6 1HG1 ILE 1 2HG1 ILE 1 -20.034 -1.028 0.214
7 2HG1 ILE 1 1HG1 ILE 1 -18.311 -1.165 0.562
8 1HG2 ILE 1 1HG2 ILE 1 -20.818 1.906 -0.090
9 2HG2 ILE 1 2HG2 ILE 1 -20.742 0.374 -0.963
10 3HG2 ILE 1 3HG2 ILE 1 -19.851 1.775 -1.560
11 1HD1 ILE 1 1HD1 ILE 1 -20.518 -0.190 2.368
12 2HD1 ILE 1 2HD1 ILE 1 -18.838 0.252 2.670
13 3HD1 ILE 1 3HD1 ILE 1 -19.317 -1.445 2.676
14 H LEU 2 H LEU 2 -15.679 2.354 -0.798
15 HA LEU 2 HA LEU 2 -13.456 2.098 0.086
16 1HB LEU 2 2HB LEU 2 -13.831 2.524 2.658
17 2HB LEU 2 1HB LEU 2 -14.345 3.736 1.487
18 HG LEU 2 HG LEU 2 -16.262 1.577 2.331
19 1HD1 LEU 2 1HD1 LEU 2 -15.676 4.150 3.826
20 2HD1 LEU 2 2HD1 LEU 2 -15.417 2.514 4.431
21 3HD1 LEU 2 3HD1 LEU 2 -17.056 3.095 4.133
22 1HD2 LEU 2 1HD2 LEU 2 -17.536 4.038 2.083
23 2HD2 LEU 2 2HD2 LEU 2 -17.465 2.791 0.839
24 3HD2 LEU 2 3HD2 LEU 2 -16.284 4.099 0.843
25 HA PRO 3 HA PRO 3 -13.865 -2.337 1.373
26 1HB PRO 3 2HB PRO 3 -12.116 -3.321 -0.489
27 2HB PRO 3 1HB PRO 3 -13.850 -3.109 -0.807
28 1HG PRO 3 2HG PRO 3 -11.554 -1.397 -1.612
29 2HG PRO 3 1HG PRO 3 -13.025 -1.808 -2.507
30 1HD PRO 3 2HD PRO 3 -12.641 0.576 -1.227
31 2HD PRO 3 1HD PRO 3 -14.240 -0.137 -1.530
32 H TRP 4 H TRP 4 -11.664 -3.849 1.574
33 HA TRP 4 HA TRP 4 -9.476 -2.095 2.636
34 1HB TRP 4 2HB TRP 4 -9.811 -4.524 4.172
35 2HB TRP 4 1HB TRP 4 -9.831 -2.857 4.729
36 HD1 TRP 4 HD1 TRP 4 -12.179 -5.525 3.250
37 HE1 TRP 4 1HE TRP 4 -14.589 -4.995 4.003
38 HE3 TRP 4 3HE TRP 4 -11.399 -1.084 5.644
39 HZ2 TRP 4 2HZ TRP 4 -15.999 -2.955 5.431
40 HZ3 TRP 4 3HZ TRP 4 -13.288 0.131 6.690
41 HH2 TRP 4 HH2 TRP 4 -15.585 -0.797 6.588
42 H LYS 5 H LYS 5 -9.214 -3.191 0.179
43 HA LYS 5 HA LYS 5 -7.422 -5.549 0.625
44 1HB LYS 5 2HB LYS 5 -9.732 -5.093 -1.097
45 2HB LYS 5 1HB LYS 5 -8.316 -5.610 -2.011
46 1HG LYS 5 2HG LYS 5 -8.114 -7.625 -0.783
47 2HG LYS 5 1HG LYS 5 -9.157 -7.034 0.513
48 1HD LYS 5 2HD LYS 5 -10.856 -8.096 -0.523
49 2HD LYS 5 1HD LYS 5 -10.749 -6.855 -1.772
50 1HE LYS 5 2HE LYS 5 -9.731 -8.268 -3.263
51 2HE LYS 5 1HE LYS 5 -8.779 -9.071 -1.998
52 1HZ LYS 5 1HZ LYS 5 -11.558 -9.562 -2.821
53 2HZ LYS 5 2HZ LYS 5 -11.122 -9.839 -1.204
54 3HZ LYS 5 3HZ LYS 5 -10.335 -10.678 -2.453
55 H TRP 6 H TRP 6 -7.175 -2.462 0.216
56 HA TRP 6 HA TRP 6 -5.840 -1.899 -2.204
57 1HB TRP 6 2HB TRP 6 -6.696 -0.246 -0.669
58 2HB TRP 6 1HB TRP 6 -5.641 -0.813 0.609
59 HD1 TRP 6 HD1 TRP 6 -3.057 -0.456 0.264
60 HE1 TRP 6 1HE TRP 6 -1.771 1.409 -1.021
61 HE3 TRP 6 3HE TRP 6 -6.798 1.188 -2.615
62 HZ2 TRP 6 2HZ TRP 6 -2.353 3.372 -3.072
63 HZ3 TRP 6 3HZ TRP 6 -6.481 3.052 -4.251
64 HH2 TRP 6 HH2 TRP 6 -4.255 4.139 -4.479
65 HA PRO 7 HA PRO 7 -1.999 -3.926 -1.421
66 1HB PRO 7 2HB PRO 7 -0.618 -2.924 -3.559
67 2HB PRO 7 1HB PRO 7 -1.909 -4.128 -3.709
68 1HG PRO 7 2HG PRO 7 -1.915 -1.302 -4.449
69 2HG PRO 7 1HG PRO 7 -3.011 -2.593 -4.947
70 1HD PRO 7 2HD PRO 7 -3.424 -0.558 -2.945
71 2HD PRO 7 1HD PRO 7 -4.565 -1.788 -3.529
72 H TRP 8 H TRP 8 0.553 -3.156 -1.872
73 HA TRP 8 HA TRP 8 2.234 -2.198 -0.508
74 1HB TRP 8 2HB TRP 8 1.111 0.244 -1.856
75 2HB TRP 8 1HB TRP 8 2.792 -0.224 -1.631
76 HD1 TRP 8 HD1 TRP 8 -0.039 -0.537 -3.991
77 HE1 TRP 8 1HE TRP 8 0.618 -2.027 -5.994
78 HE3 TRP 8 3HE TRP 8 4.292 -2.486 -2.205
79 HZ2 TRP 8 2HZ TRP 8 2.726 -3.828 -6.723
80 HZ3 TRP 8 3HZ TRP 8 5.618 -4.091 -3.556
81 HH2 TRP 8 HH2 TRP 8 4.837 -4.766 -5.812
82 H TRP 9 H TRP 9 1.273 -2.432 1.641
83 HA TRP 9 HA TRP 9 -0.557 -0.796 2.920
84 1HB TRP 9 2HB TRP 9 0.289 -2.631 4.097
85 2HB TRP 9 1HB TRP 9 1.960 -2.188 3.765
86 HD1 TRP 9 HD1 TRP 9 2.930 -0.061 5.089
87 HE1 TRP 9 1HE TRP 9 2.356 0.856 7.432
88 HE3 TRP 9 3HE TRP 9 -1.566 -2.299 5.778
89 HZ2 TRP 9 2HZ TRP 9 0.230 0.651 9.351
90 HZ3 TRP 9 3HZ TRP 9 -2.866 -1.934 7.865
91 HH2 TRP 9 HH2 TRP 9 -1.973 -0.458 9.649
92 HA PRO 10 HA PRO 10 1.496 3.111 3.090
93 1HB PRO 10 2HB PRO 10 -0.367 4.381 4.639
94 2HB PRO 10 1HB PRO 10 -0.652 3.953 2.942
95 1HG PRO 10 2HG PRO 10 -1.834 2.821 5.345
96 2HG PRO 10 1HG PRO 10 -2.328 2.638 3.660
97 1HD PRO 10 2HD PRO 10 -0.794 0.819 5.320
98 2HD PRO 10 1HD PRO 10 -1.500 0.533 3.717
99 H TRP 11 H TRP 11 3.374 3.116 4.361
100 HA TRP 11 HA TRP 11 3.103 2.852 7.301
101 1HB TRP 11 2HB TRP 11 5.554 2.404 7.094
102 2HB TRP 11 1HB TRP 11 4.572 1.299 6.149
103 HD1 TRP 11 HD1 TRP 11 6.550 4.556 5.699
104 HE1 TRP 11 1HE TRP 11 7.414 4.624 3.255
105 HE3 TRP 11 3HE TRP 11 4.334 0.384 3.955
106 HZ2 TRP 11 2HZ TRP 11 7.157 3.052 0.849
107 HZ3 TRP 11 3HZ TRP 11 4.628 -0.350 1.588
108 HH2 TRP 11 HH2 TRP 11 6.036 0.985 0.037
109 H ARG 12 H ARG 12 5.238 4.195 8.192
110 HA ARG 12 HA ARG 12 5.711 6.398 8.942
111 1HB ARG 12 2HB ARG 12 7.309 5.794 7.180
112 2HB ARG 12 1HB ARG 12 6.195 6.395 5.953
113 1HG ARG 12 2HG ARG 12 6.417 8.504 7.763
114 2HG ARG 12 1HG ARG 12 8.058 7.869 7.636
115 1HD ARG 12 2HD ARG 12 7.722 7.921 5.086
116 2HD ARG 12 1HD ARG 12 6.295 8.925 5.413
117 HE ARG 12 HE ARG 12 8.532 9.910 6.920
118 1HH1 ARG 12 1HH2 ARG 12 6.793 10.059 3.976
119 2HH1 ARG 12 2HH2 ARG 12 7.752 11.335 3.305
120 1HH2 ARG 12 2HH1 ARG 12 9.986 11.408 5.957
121 2HH2 ARG 12 1HH1 ARG 12 9.560 12.099 4.426
122 H ARG 13 H ARG 13 3.139 6.616 9.131
123 HA ARG 13 HA ARG 13 2.040 8.550 7.163
124 1HB ARG 13 2HB ARG 13 -0.057 8.069 8.336
125 2HB ARG 13 1HB ARG 13 0.769 6.553 7.973
126 1HG ARG 13 2HG ARG 13 1.615 6.394 10.233
127 2HG ARG 13 1HG ARG 13 1.014 8.008 10.621
128 1HD ARG 13 2HD ARG 13 -1.039 6.143 9.574
129 2HD ARG 13 1HD ARG 13 -0.382 5.731 11.171
130 HE ARG 13 HE ARG 13 -1.091 8.569 10.769
131 1HH1 ARG 13 1HH2 ARG 13 -2.940 5.824 11.027
132 2HH1 ARG 13 2HH2 ARG 13 -3.688 6.233 12.535
133 1HH2 ARG 13 1HH1 ARG 13 -1.615 8.948 13.129
134 2HH2 ARG 13 2HH1 ARG 13 -2.938 8.003 13.724
135 1HN NH2 14 1HT ARG 13 4.220 9.361 9.122
136 2HN NH2 14 2HT ARG 13 3.551 10.622 10.040
Start of MODEL 10
1 1H ILE 1 1H ILE 1 -18.180 -1.226 -0.801
2 2H ILE 1 2H ILE 1 -18.900 0.106 -1.572
3 3H ILE 1 3H ILE 1 -19.795 -0.826 -0.466
4 HA ILE 1 HA ILE 1 -18.776 1.448 0.281
5 HB ILE 1 HB ILE 1 -18.508 0.247 2.558
6 1HG1 ILE 1 2HG1 ILE 1 -19.436 -2.098 0.869
7 2HG1 ILE 1 1HG1 ILE 1 -17.796 -1.920 1.492
8 1HG2 ILE 1 1HG2 ILE 1 -21.017 -0.305 0.944
9 2HG2 ILE 1 2HG2 ILE 1 -20.631 1.248 1.686
10 3HG2 ILE 1 3HG2 ILE 1 -20.906 -0.170 2.699
11 1HD1 ILE 1 1HD1 ILE 1 -18.783 -1.749 3.809
12 2HD1 ILE 1 2HD1 ILE 1 -19.013 -3.321 3.039
13 3HD1 ILE 1 3HD1 ILE 1 -20.346 -2.167 3.107
14 H LEU 2 H LEU 2 -16.873 2.155 1.530
15 HA LEU 2 HA LEU 2 -14.387 1.908 0.380
16 1HB LEU 2 2HB LEU 2 -13.523 2.616 2.571
17 2HB LEU 2 1HB LEU 2 -15.067 3.408 2.255
18 HG LEU 2 HG LEU 2 -15.832 1.044 3.479
19 1HD1 LEU 2 1HD1 LEU 2 -14.381 0.491 5.195
20 2HD1 LEU 2 2HD1 LEU 2 -13.669 2.104 5.255
21 3HD1 LEU 2 3HD1 LEU 2 -13.213 0.987 3.969
22 1HD2 LEU 2 1HD2 LEU 2 -16.580 2.461 5.227
23 2HD2 LEU 2 2HD2 LEU 2 -16.520 3.517 3.815
24 3HD2 LEU 2 3HD2 LEU 2 -15.230 3.575 5.018
25 HA PRO 3 HA PRO 3 -13.799 -2.503 1.202
26 1HB PRO 3 2HB PRO 3 -11.860 -2.835 -0.698
27 2HB PRO 3 1HB PRO 3 -13.594 -2.829 -1.079
28 1HG PRO 3 2HG PRO 3 -11.578 -0.664 -1.402
29 2HG PRO 3 1HG PRO 3 -12.927 -1.118 -2.455
30 1HD PRO 3 2HD PRO 3 -12.998 1.008 -0.745
31 2HD PRO 3 1HD PRO 3 -14.442 0.114 -1.267
32 H TRP 4 H TRP 4 -11.521 -3.713 1.435
33 HA TRP 4 HA TRP 4 -9.475 -1.904 2.622
34 1HB TRP 4 2HB TRP 4 -9.474 -3.772 4.500
35 2HB TRP 4 1HB TRP 4 -10.578 -2.402 4.580
36 HD1 TRP 4 HD1 TRP 4 -10.467 -6.139 4.017
37 HE1 TRP 4 1HE TRP 4 -12.885 -7.052 3.951
38 HE3 TRP 4 3HE TRP 4 -13.040 -1.750 3.917
39 HZ2 TRP 4 2HZ TRP 4 -15.566 -6.035 3.864
40 HZ3 TRP 4 3HZ TRP 4 -15.523 -1.736 3.841
41 HH2 TRP 4 HH2 TRP 4 -16.787 -3.872 3.812
42 H LYS 5 H LYS 5 -9.087 -3.126 0.243
43 HA LYS 5 HA LYS 5 -7.263 -5.400 0.906
44 1HB LYS 5 2HB LYS 5 -9.530 -5.135 -0.932
45 2HB LYS 5 1HB LYS 5 -8.076 -5.761 -1.707
46 1HG LYS 5 2HG LYS 5 -9.300 -6.872 0.836
47 2HG LYS 5 1HG LYS 5 -9.498 -7.579 -0.767
48 1HD LYS 5 2HD LYS 5 -6.746 -7.068 0.347
49 2HD LYS 5 1HD LYS 5 -7.633 -8.529 0.780
50 1HE LYS 5 2HE LYS 5 -6.959 -7.631 -2.048
51 2HE LYS 5 1HE LYS 5 -6.234 -9.000 -1.179
52 1HZ LYS 5 1HZ LYS 5 -8.798 -9.529 -0.816
53 2HZ LYS 5 2HZ LYS 5 -7.932 -10.110 -2.157
54 3HZ LYS 5 3HZ LYS 5 -8.910 -8.729 -2.308
55 H TRP 6 H TRP 6 -7.113 -2.352 0.225
56 HA TRP 6 HA TRP 6 -5.796 -1.873 -2.192
57 1HB TRP 6 2HB TRP 6 -6.566 -0.169 -0.683
58 2HB TRP 6 1HB TRP 6 -5.520 -0.744 0.596
59 HD1 TRP 6 HD1 TRP 6 -2.927 -0.473 0.219
60 HE1 TRP 6 1HE TRP 6 -1.600 1.346 -1.091
61 HE3 TRP 6 3HE TRP 6 -6.649 1.259 -2.633
62 HZ2 TRP 6 2HZ TRP 6 -2.147 3.308 -3.151
63 HZ3 TRP 6 3HZ TRP 6 -6.294 3.100 -4.287
64 HH2 TRP 6 HH2 TRP 6 -4.041 4.119 -4.545
65 HA PRO 7 HA PRO 7 -1.965 -3.955 -1.506
66 1HB PRO 7 2HB PRO 7 -0.627 -2.994 -3.694
67 2HB PRO 7 1HB PRO 7 -1.938 -4.180 -3.792
68 1HG PRO 7 2HG PRO 7 -1.926 -1.364 -4.562
69 2HG PRO 7 1HG PRO 7 -3.052 -2.644 -5.016
70 1HD PRO 7 2HD PRO 7 -3.382 -0.582 -3.027
71 2HD PRO 7 1HD PRO 7 -4.555 -1.805 -3.561
72 H TRP 8 H TRP 8 0.602 -3.191 -2.069
73 HA TRP 8 HA TRP 8 2.329 -2.249 -0.739
74 1HB TRP 8 2HB TRP 8 1.190 0.248 -1.960
75 2HB TRP 8 1HB TRP 8 2.866 -0.284 -1.866
76 HD1 TRP 8 HD1 TRP 8 -0.159 -0.458 -4.005
77 HE1 TRP 8 1HE TRP 8 0.317 -1.860 -6.120
78 HE3 TRP 8 3HE TRP 8 4.293 -2.499 -2.675
79 HZ2 TRP 8 2HZ TRP 8 2.344 -3.634 -7.102
80 HZ3 TRP 8 3HZ TRP 8 5.487 -4.049 -4.202
81 HH2 TRP 8 HH2 TRP 8 4.515 -4.620 -6.411
82 H TRP 9 H TRP 9 1.412 -2.546 1.425
83 HA TRP 9 HA TRP 9 -0.404 -0.989 2.791
84 1HB TRP 9 2HB TRP 9 0.580 -2.855 3.844
85 2HB TRP 9 1HB TRP 9 2.208 -2.228 3.602
86 HD1 TRP 9 HD1 TRP 9 2.986 -0.207 5.123
87 HE1 TRP 9 1HE TRP 9 2.185 0.606 7.437
88 HE3 TRP 9 3HE TRP 9 -1.477 -2.591 5.335
89 HZ2 TRP 9 2HZ TRP 9 -0.099 0.272 9.156
90 HZ3 TRP 9 3HZ TRP 9 -2.968 -2.343 7.307
91 HH2 TRP 9 HH2 TRP 9 -2.284 -0.910 9.216
92 HA PRO 10 HA PRO 10 1.540 2.984 3.023
93 1HB PRO 10 2HB PRO 10 -0.474 4.195 4.416
94 2HB PRO 10 1HB PRO 10 -0.621 3.757 2.704
95 1HG PRO 10 2HG PRO 10 -1.940 2.591 5.019
96 2HG PRO 10 1HG PRO 10 -2.309 2.397 3.302
97 1HD PRO 10 2HD PRO 10 -0.844 0.614 5.070
98 2HD PRO 10 1HD PRO 10 -1.431 0.318 3.420
99 H TRP 11 H TRP 11 3.245 3.305 4.482
100 HA TRP 11 HA TRP 11 2.731 2.857 7.370
101 1HB TRP 11 2HB TRP 11 5.219 2.635 7.400
102 2HB TRP 11 1HB TRP 11 4.441 1.478 6.337
103 HD1 TRP 11 HD1 TRP 11 6.194 4.882 6.184
104 HE1 TRP 11 1HE TRP 11 7.273 5.111 3.836
105 HE3 TRP 11 3HE TRP 11 4.440 0.653 4.088
106 HZ2 TRP 11 2HZ TRP 11 7.347 3.628 1.360
107 HZ3 TRP 11 3HZ TRP 11 4.999 0.041 1.733
108 HH2 TRP 11 HH2 TRP 11 6.449 1.529 0.372
109 H ARG 12 H ARG 12 4.604 4.342 8.524
110 HA ARG 12 HA ARG 12 4.789 6.551 9.381
111 1HB ARG 12 2HB ARG 12 6.627 6.146 7.800
112 2HB ARG 12 1HB ARG 12 5.614 6.710 6.473
113 1HG ARG 12 2HG ARG 12 5.437 8.747 8.360
114 2HG ARG 12 1HG ARG 12 7.129 8.254 8.428
115 1HD ARG 12 2HD ARG 12 6.421 8.320 5.674
116 2HD ARG 12 1HD ARG 12 5.825 9.825 6.400
117 HE ARG 12 HE ARG 12 8.125 10.163 7.325
118 1HH1 ARG 12 2HH1 ARG 12 7.687 9.178 4.197
119 2HH1 ARG 12 1HH1 ARG 12 9.296 8.593 3.943
120 1HH2 ARG 12 1HH2 ARG 12 10.194 8.832 7.285
121 2HH2 ARG 12 2HH2 ARG 12 10.716 8.397 5.692
122 H ARG 13 H ARG 13 2.079 6.169 8.755
123 HA ARG 13 HA ARG 13 0.859 7.854 6.874
124 1HB ARG 13 2HB ARG 13 0.229 6.627 9.487
125 2HB ARG 13 1HB ARG 13 -0.773 8.019 9.077
126 1HG ARG 13 2HG ARG 13 -1.642 7.001 7.162
127 2HG ARG 13 1HG ARG 13 -0.281 5.889 7.016
128 1HD ARG 13 2HD ARG 13 -1.900 4.446 7.877
129 2HD ARG 13 1HD ARG 13 -1.194 5.046 9.390
130 HE ARG 13 HE ARG 13 -3.185 6.901 8.593
131 1HH1 ARG 13 1HH2 ARG 13 -3.098 3.515 9.139
132 2HH1 ARG 13 2HH2 ARG 13 -4.556 3.486 10.074
133 1HH2 ARG 13 1HH1 ARG 13 -4.986 6.926 10.005
134 2HH2 ARG 13 2HH1 ARG 13 -5.625 5.415 10.565
135 1HN NH2 14 1HT ARG 13 -0.541 9.922 7.893
136 2HN NH2 14 2HT ARG 13 0.452 11.104 8.598
Start of MODEL 11
1 1H ILE 1 1H ILE 1 -19.765 -0.495 0.423
2 2H ILE 1 2H ILE 1 -20.404 -1.050 1.896
3 3H ILE 1 3H ILE 1 -18.921 -1.655 1.326
4 HA ILE 1 HA ILE 1 -19.240 1.233 1.870
5 HB ILE 1 HB ILE 1 -18.291 0.533 4.172
6 1HG1 ILE 1 2HG1 ILE 1 -19.500 -2.100 3.259
7 2HG1 ILE 1 1HG1 ILE 1 -17.783 -1.804 3.532
8 1HG2 ILE 1 1HG2 ILE 1 -21.118 -0.396 3.637
9 2HG2 ILE 1 2HG2 ILE 1 -20.673 1.311 3.601
10 3HG2 ILE 1 3HG2 ILE 1 -20.484 0.380 5.088
11 1HD1 ILE 1 1HD1 ILE 1 -17.995 -1.936 5.790
12 2HD1 ILE 1 2HD1 ILE 1 -19.511 -2.763 5.435
13 3HD1 ILE 1 3HD1 ILE 1 -19.512 -1.036 5.792
14 H LEU 2 H LEU 2 -17.016 2.013 2.612
15 HA LEU 2 HA LEU 2 -14.988 1.650 0.788
16 1HB LEU 2 2HB LEU 2 -13.522 2.523 2.532
17 2HB LEU 2 1HB LEU 2 -15.113 3.267 2.705
18 HG LEU 2 HG LEU 2 -15.421 1.038 4.250
19 1HD1 LEU 2 1HD1 LEU 2 -12.863 0.708 3.774
20 2HD1 LEU 2 2HD1 LEU 2 -13.468 0.489 5.416
21 3HD1 LEU 2 3HD1 LEU 2 -12.660 1.991 4.967
22 1HD2 LEU 2 1HD2 LEU 2 -14.120 3.362 5.580
23 2HD2 LEU 2 2HD2 LEU 2 -15.649 2.567 5.951
24 3HD2 LEU 2 3HD2 LEU 2 -15.553 3.712 4.613
25 HA PRO 3 HA PRO 3 -13.997 -2.661 1.560
26 1HB PRO 3 2HB PRO 3 -12.295 -2.916 -0.568
27 2HB PRO 3 1HB PRO 3 -14.062 -2.973 -0.732
28 1HG PRO 3 2HG PRO 3 -12.181 -0.736 -1.287
29 2HG PRO 3 1HG PRO 3 -13.635 -1.234 -2.165
30 1HD PRO 3 2HD PRO 3 -13.557 0.882 -0.441
31 2HD PRO 3 1HD PRO 3 -15.028 -0.053 -0.789
32 H TRP 4 H TRP 4 -11.595 -3.765 1.392
33 HA TRP 4 HA TRP 4 -9.507 -1.887 2.335
34 1HB TRP 4 2HB TRP 4 -9.208 -3.577 4.302
35 2HB TRP 4 1HB TRP 4 -10.452 -2.334 4.411
36 HD1 TRP 4 HD1 TRP 4 -9.960 -6.056 4.159
37 HE1 TRP 4 1HE TRP 4 -12.253 -7.235 4.323
38 HE3 TRP 4 3HE TRP 4 -13.023 -2.012 3.800
39 HZ2 TRP 4 2HZ TRP 4 -15.036 -6.532 4.297
40 HZ3 TRP 4 3HZ TRP 4 -15.493 -2.280 3.869
41 HH2 TRP 4 HH2 TRP 4 -16.499 -4.534 4.116
42 H LYS 5 H LYS 5 -9.122 -2.998 0.032
43 HA LYS 5 HA LYS 5 -7.412 -5.406 0.524
44 1HB LYS 5 2HB LYS 5 -9.650 -4.891 -1.281
45 2HB LYS 5 1HB LYS 5 -8.218 -5.449 -2.139
46 1HG LYS 5 2HG LYS 5 -9.646 -6.831 0.146
47 2HG LYS 5 1HG LYS 5 -9.467 -7.411 -1.509
48 1HD LYS 5 2HD LYS 5 -6.856 -6.861 -0.498
49 2HD LYS 5 1HD LYS 5 -7.708 -7.826 0.707
50 1HE LYS 5 2HE LYS 5 -8.410 -9.051 -1.693
51 2HE LYS 5 1HE LYS 5 -6.698 -8.635 -1.918
52 1HZ LYS 5 1HZ LYS 5 -6.528 -10.582 -0.731
53 2HZ LYS 5 2HZ LYS 5 -7.946 -10.301 0.164
54 3HZ LYS 5 3HZ LYS 5 -6.522 -9.448 0.530
55 H TRP 6 H TRP 6 -7.069 -2.327 0.128
56 HA TRP 6 HA TRP 6 -5.664 -1.778 -2.247
57 1HB TRP 6 2HB TRP 6 -6.478 -0.118 -0.699
58 2HB TRP 6 1HB TRP 6 -5.475 -0.752 0.590
59 HD1 TRP 6 HD1 TRP 6 -2.869 -0.498 0.304
60 HE1 TRP 6 1HE TRP 6 -1.483 1.339 -0.914
61 HE3 TRP 6 3HE TRP 6 -6.480 1.359 -2.615
62 HZ2 TRP 6 2HZ TRP 6 -1.941 3.365 -2.933
63 HZ3 TRP 6 3HZ TRP 6 -6.052 3.241 -4.205
64 HH2 TRP 6 HH2 TRP 6 -3.780 4.240 -4.363
65 HA PRO 7 HA PRO 7 -1.912 -3.961 -1.445
66 1HB PRO 7 2HB PRO 7 -0.469 -2.980 -3.555
67 2HB PRO 7 1HB PRO 7 -1.800 -4.139 -3.734
68 1HG PRO 7 2HG PRO 7 -1.698 -1.306 -4.442
69 2HG PRO 7 1HG PRO 7 -2.838 -2.551 -4.961
70 1HD PRO 7 2HD PRO 7 -3.186 -0.524 -2.937
71 2HD PRO 7 1HD PRO 7 -4.371 -1.696 -3.551
72 H TRP 8 H TRP 8 0.675 -3.267 -1.866
73 HA TRP 8 HA TRP 8 2.373 -2.386 -0.470
74 1HB TRP 8 2HB TRP 8 1.336 0.119 -1.771
75 2HB TRP 8 1HB TRP 8 3.001 -0.412 -1.550
76 HD1 TRP 8 HD1 TRP 8 0.166 -0.579 -3.925
77 HE1 TRP 8 1HE TRP 8 0.781 -2.043 -5.958
78 HE3 TRP 8 3HE TRP 8 4.429 -2.703 -2.173
79 HZ2 TRP 8 2HZ TRP 8 2.833 -3.892 -6.726
80 HZ3 TRP 8 3HZ TRP 8 5.705 -4.320 -3.558
81 HH2 TRP 8 HH2 TRP 8 4.909 -4.920 -5.829
82 H TRP 9 H TRP 9 1.415 -2.635 1.663
83 HA TRP 9 HA TRP 9 -0.387 -1.111 3.041
84 1HB TRP 9 2HB TRP 9 0.657 -2.827 4.216
85 2HB TRP 9 1HB TRP 9 2.267 -2.302 3.735
86 HD1 TRP 9 HD1 TRP 9 3.196 -0.056 4.908
87 HE1 TRP 9 1HE TRP 9 2.776 0.873 7.282
88 HE3 TRP 9 3HE TRP 9 -1.036 -2.599 6.070
89 HZ2 TRP 9 2HZ TRP 9 0.865 0.564 9.398
90 HZ3 TRP 9 3HZ TRP 9 -2.154 -2.278 8.264
91 HH2 TRP 9 HH2 TRP 9 -1.210 -0.696 9.926
92 HA PRO 10 HA PRO 10 1.301 2.968 3.079
93 1HB PRO 10 2HB PRO 10 -0.562 4.072 4.750
94 2HB PRO 10 1HB PRO 10 -0.920 3.607 3.077
95 1HG PRO 10 2HG PRO 10 -1.826 2.388 5.556
96 2HG PRO 10 1HG PRO 10 -2.418 2.152 3.909
97 1HD PRO 10 2HD PRO 10 -0.617 0.486 5.455
98 2HD PRO 10 1HD PRO 10 -1.397 0.132 3.901
99 H TRP 11 H TRP 11 3.161 3.456 4.224
100 HA TRP 11 HA TRP 11 3.189 3.033 7.167
101 1HB TRP 11 2HB TRP 11 5.644 2.910 6.758
102 2HB TRP 11 1HB TRP 11 4.752 1.720 5.833
103 HD1 TRP 11 HD1 TRP 11 6.285 5.207 5.411
104 HE1 TRP 11 1HE TRP 11 6.921 5.493 2.914
105 HE3 TRP 11 3HE TRP 11 4.406 0.894 3.610
106 HZ2 TRP 11 2HZ TRP 11 6.633 4.020 0.449
107 HZ3 TRP 11 3HZ TRP 11 4.571 0.317 1.187
108 HH2 TRP 11 HH2 TRP 11 5.684 1.881 -0.391
109 H ARG 12 H ARG 12 5.266 4.673 7.841
110 HA ARG 12 HA ARG 12 4.110 7.294 7.879
111 1HB ARG 12 2HB ARG 12 6.042 7.737 9.228
112 2HB ARG 12 1HB ARG 12 5.564 6.086 9.576
113 1HG ARG 12 2HG ARG 12 7.229 5.487 7.639
114 2HG ARG 12 1HG ARG 12 7.906 7.080 7.979
115 1HD ARG 12 2HD ARG 12 7.963 6.338 10.455
116 2HD ARG 12 1HD ARG 12 7.727 4.694 9.828
117 HE ARG 12 HE ARG 12 10.062 6.444 9.209
118 1HH1 ARG 12 2HH1 ARG 12 9.367 4.685 6.906
119 2HH1 ARG 12 1HH1 ARG 12 10.282 3.253 7.241
120 1HH2 ARG 12 1HH2 ARG 12 10.820 4.059 10.571
121 2HH2 ARG 12 2HH2 ARG 12 11.104 2.899 9.317
122 H ARG 13 H ARG 13 4.270 6.815 5.184
123 HA ARG 13 HA ARG 13 6.621 7.399 3.763
124 1HB ARG 13 2HB ARG 13 4.647 6.756 2.602
125 2HB ARG 13 1HB ARG 13 3.696 8.042 3.346
126 1HG ARG 13 2HG ARG 13 6.011 9.079 1.899
127 2HG ARG 13 1HG ARG 13 4.925 8.164 0.852
128 1HD ARG 13 2HD ARG 13 3.865 10.254 2.769
129 2HD ARG 13 1HD ARG 13 4.395 10.674 1.128
130 HE ARG 13 HE ARG 13 2.254 8.661 1.714
131 1HH1 ARG 13 1HH1 ARG 13 4.111 9.513 -0.857
132 2HH1 ARG 13 2HH1 ARG 13 2.824 10.085 -1.866
133 1HH2 ARG 13 1HH2 ARG 13 0.456 10.033 0.666
134 2HH2 ARG 13 2HH2 ARG 13 0.756 10.379 -1.005
135 1HN NH2 14 1HT ARG 13 4.500 9.643 5.546
136 2HN NH2 14 2HT ARG 13 5.448 11.028 5.285
Start of MODEL 12
1 1H ILE 1 1H ILE 1 -17.506 1.349 7.200
2 2H ILE 1 2H ILE 1 -15.988 0.622 6.973
3 3H ILE 1 3H ILE 1 -17.363 -0.010 6.197
4 HA ILE 1 HA ILE 1 -17.326 1.522 4.546
5 HB ILE 1 HB ILE 1 -16.504 3.882 5.151
6 1HG1 ILE 1 2HG1 ILE 1 -16.920 3.594 7.967
7 2HG1 ILE 1 1HG1 ILE 1 -15.682 2.435 7.479
8 1HG2 ILE 1 1HG2 ILE 1 -18.563 4.165 6.767
9 2HG2 ILE 1 2HG2 ILE 1 -18.854 2.469 6.379
10 3HG2 ILE 1 3HG2 ILE 1 -18.829 3.676 5.094
11 1HD1 ILE 1 1HD1 ILE 1 -14.170 4.069 7.074
12 2HD1 ILE 1 2HD1 ILE 1 -15.260 5.135 7.958
13 3HD1 ILE 1 3HD1 ILE 1 -15.348 5.047 6.199
14 H LEU 2 H LEU 2 -15.584 2.519 3.155
15 HA LEU 2 HA LEU 2 -13.436 2.390 2.181
16 1HB LEU 2 2HB LEU 2 -12.921 2.521 5.156
17 2HB LEU 2 1HB LEU 2 -11.600 2.518 3.988
18 HG LEU 2 HG LEU 2 -13.898 4.498 4.014
19 1HD1 LEU 2 1HD1 LEU 2 -11.628 4.390 5.658
20 2HD1 LEU 2 2HD1 LEU 2 -12.662 5.794 5.388
21 3HD1 LEU 2 3HD1 LEU 2 -11.218 5.558 4.403
22 1HD2 LEU 2 1HD2 LEU 2 -11.806 5.515 2.505
23 2HD2 LEU 2 2HD2 LEU 2 -13.260 4.758 1.852
24 3HD2 LEU 2 3HD2 LEU 2 -11.796 3.803 2.085
25 HA PRO 3 HA PRO 3 -13.153 -2.097 2.406
26 1HB PRO 3 2HB PRO 3 -11.993 -2.380 -0.060
27 2HB PRO 3 1HB PRO 3 -13.739 -2.160 0.169
28 1HG PRO 3 2HG PRO 3 -11.669 -0.168 -0.612
29 2HG PRO 3 1HG PRO 3 -13.327 -0.365 -1.204
30 1HD PRO 3 2HD PRO 3 -12.613 1.538 0.603
31 2HD PRO 3 1HD PRO 3 -14.234 0.807 0.543
32 H TRP 4 H TRP 4 -11.187 -3.589 2.016
33 HA TRP 4 HA TRP 4 -8.623 -2.156 2.635
34 1HB TRP 4 2HB TRP 4 -9.339 -4.846 3.775
35 2HB TRP 4 1HB TRP 4 -8.241 -3.631 4.424
36 HD1 TRP 4 HD1 TRP 4 -12.028 -4.088 3.789
37 HE1 TRP 4 1HE TRP 4 -13.311 -2.826 5.639
38 HE3 TRP 4 3HE TRP 4 -8.111 -1.987 6.301
39 HZ2 TRP 4 2HZ TRP 4 -12.745 -1.151 7.888
40 HZ3 TRP 4 3HZ TRP 4 -8.508 -0.567 8.293
41 HH2 TRP 4 HH2 TRP 4 -10.819 -0.147 9.089
42 H LYS 5 H LYS 5 -9.285 -2.909 0.056
43 HA LYS 5 HA LYS 5 -7.948 -5.504 -0.438
44 1HB LYS 5 2HB LYS 5 -9.643 -3.617 -2.071
45 2HB LYS 5 1HB LYS 5 -8.980 -5.117 -2.689
46 1HG LYS 5 2HG LYS 5 -11.012 -4.751 -0.488
47 2HG LYS 5 1HG LYS 5 -11.195 -5.663 -1.985
48 1HD LYS 5 2HD LYS 5 -9.394 -6.366 0.350
49 2HD LYS 5 1HD LYS 5 -10.850 -7.224 -0.154
50 1HE LYS 5 2HE LYS 5 -9.684 -7.564 -2.423
51 2HE LYS 5 1HE LYS 5 -8.195 -7.059 -1.598
52 1HZ LYS 5 1HZ LYS 5 -8.592 -9.484 -1.466
53 2HZ LYS 5 2HZ LYS 5 -10.025 -9.181 -0.607
54 3HZ LYS 5 3HZ LYS 5 -8.525 -8.741 0.056
55 H TRP 6 H TRP 6 -7.218 -2.287 -0.364
56 HA TRP 6 HA TRP 6 -5.578 -1.885 -2.650
57 1HB TRP 6 2HB TRP 6 -6.476 -0.120 -1.263
58 2HB TRP 6 1HB TRP 6 -5.634 -0.734 0.143
59 HD1 TRP 6 HD1 TRP 6 -3.002 -0.590 0.115
60 HE1 TRP 6 1HE TRP 6 -1.424 1.124 -1.045
61 HE3 TRP 6 3HE TRP 6 -6.218 1.235 -3.243
62 HZ2 TRP 6 2HZ TRP 6 -1.591 3.054 -3.202
63 HZ3 TRP 6 3HZ TRP 6 -5.558 3.012 -4.875
64 HH2 TRP 6 HH2 TRP 6 -3.242 3.916 -4.854
65 HA PRO 7 HA PRO 7 -2.063 -4.206 -1.309
66 1HB PRO 7 2HB PRO 7 -0.365 -3.461 -3.314
67 2HB PRO 7 1HB PRO 7 -1.742 -4.549 -3.562
68 1HG PRO 7 2HG PRO 7 -1.386 -1.778 -4.424
69 2HG PRO 7 1HG PRO 7 -2.536 -2.990 -4.995
70 1HD PRO 7 2HD PRO 7 -2.985 -0.819 -3.145
71 2HD PRO 7 1HD PRO 7 -4.163 -1.970 -3.813
72 H TRP 8 H TRP 8 0.571 -3.696 -1.474
73 HA TRP 8 HA TRP 8 2.165 -2.785 0.020
74 1HB TRP 8 2HB TRP 8 1.428 -0.427 -1.706
75 2HB TRP 8 1HB TRP 8 3.023 -0.934 -1.163
76 HD1 TRP 8 HD1 TRP 8 0.643 -1.346 -3.945
77 HE1 TRP 8 1HE TRP 8 1.487 -3.132 -5.607
78 HE3 TRP 8 3HE TRP 8 4.356 -3.405 -1.161
79 HZ2 TRP 8 2HZ TRP 8 3.489 -5.181 -5.718
80 HZ3 TRP 8 3HZ TRP 8 5.724 -5.276 -2.049
81 HH2 TRP 8 HH2 TRP 8 5.291 -6.168 -4.323
82 H TRP 9 H TRP 9 1.012 -2.718 2.055
83 HA TRP 9 HA TRP 9 -0.826 -0.905 3.006
84 1HB TRP 9 2HB TRP 9 -0.081 -2.636 4.416
85 2HB TRP 9 1HB TRP 9 1.606 -2.165 4.236
86 HD1 TRP 9 HD1 TRP 9 2.387 0.065 5.474
87 HE1 TRP 9 1HE TRP 9 1.496 1.222 7.599
88 HE3 TRP 9 3HE TRP 9 -2.173 -2.126 5.759
89 HZ2 TRP 9 2HZ TRP 9 -0.882 1.207 9.211
90 HZ3 TRP 9 3HZ TRP 9 -3.752 -1.551 7.589
91 HH2 TRP 9 HH2 TRP 9 -3.112 0.115 9.313
92 HA PRO 10 HA PRO 10 1.307 2.968 2.913
93 1HB PRO 10 2HB PRO 10 -0.698 4.439 4.050
94 2HB PRO 10 1HB PRO 10 -0.791 3.800 2.399
95 1HG PRO 10 2HG PRO 10 -2.279 2.994 4.765
96 2HG PRO 10 1HG PRO 10 -2.570 2.599 3.067
97 1HD PRO 10 2HD PRO 10 -1.280 0.999 5.124
98 2HD PRO 10 1HD PRO 10 -1.810 0.513 3.500
99 H TRP 11 H TRP 11 3.018 3.107 4.416
100 HA TRP 11 HA TRP 11 2.352 3.242 7.303
101 1HB TRP 11 2HB TRP 11 4.790 2.725 7.492
102 2HB TRP 11 1HB TRP 11 3.910 1.527 6.562
103 HD1 TRP 11 HD1 TRP 11 6.033 4.673 5.985
104 HE1 TRP 11 1HE TRP 11 7.218 4.412 3.694
105 HE3 TRP 11 3HE TRP 11 3.946 0.340 4.501
106 HZ2 TRP 11 2HZ TRP 11 7.240 2.543 1.497
107 HZ3 TRP 11 3HZ TRP 11 4.530 -0.701 2.309
108 HH2 TRP 11 HH2 TRP 11 6.176 0.403 0.810
109 H ARG 12 H ARG 12 4.473 4.659 8.242
110 HA ARG 12 HA ARG 12 3.810 7.403 7.550
111 1HB ARG 12 2HB ARG 12 4.342 6.696 9.826
112 2HB ARG 12 1HB ARG 12 5.930 6.130 9.310
113 1HG ARG 12 2HG ARG 12 6.769 8.190 9.634
114 2HG ARG 12 1HG ARG 12 5.643 8.833 8.438
115 1HD ARG 12 2HD ARG 12 5.158 8.509 11.418
116 2HD ARG 12 1HD ARG 12 5.192 10.020 10.488
117 HE ARG 12 HE ARG 12 3.271 8.537 9.184
118 1HH1 ARG 12 1HH2 ARG 12 3.862 9.384 12.480
119 2HH1 ARG 12 2HH2 ARG 12 2.183 9.403 12.909
120 1HH2 ARG 12 2HH1 ARG 12 1.081 8.576 9.729
121 2HH2 ARG 12 1HH1 ARG 12 0.611 8.947 11.354
122 H ARG 13 H ARG 13 4.703 6.348 5.178
123 HA ARG 13 HA ARG 13 6.362 6.561 3.496
124 1HB ARG 13 2HB ARG 13 5.608 8.927 4.428
125 2HB ARG 13 1HB ARG 13 7.274 8.989 5.007
126 1HG ARG 13 2HG ARG 13 8.113 9.254 2.917
127 2HG ARG 13 1HG ARG 13 7.021 8.049 2.231
128 1HD ARG 13 2HD ARG 13 6.172 9.973 1.227
129 2HD ARG 13 1HD ARG 13 5.211 9.972 2.719
130 HE ARG 13 HE ARG 13 7.840 11.351 2.776
131 1HH1 ARG 13 1HH1 ARG 13 5.924 12.963 1.180
132 2HH1 ARG 13 2HH1 ARG 13 5.147 13.930 2.388
133 1HH2 ARG 13 1HH2 ARG 13 6.188 11.938 5.029
134 2HH2 ARG 13 2HH2 ARG 13 5.295 13.349 4.569
135 1HN NH2 14 1HT ARG 13 8.920 8.187 4.356
136 2HN NH2 14 2HT ARG 13 9.894 7.012 5.104
Start of MODEL 13
1 1H ILE 1 1H ILE 1 -18.296 0.758 3.519
2 2H ILE 1 2H ILE 1 -19.049 1.474 4.864
3 3H ILE 1 3H ILE 1 -17.819 0.323 5.088
4 HA ILE 1 HA ILE 1 -17.557 3.105 4.098
5 HB ILE 1 HB ILE 1 -15.914 1.706 6.173
6 1HG1 ILE 1 2HG1 ILE 1 -18.269 1.123 6.716
7 2HG1 ILE 1 1HG1 ILE 1 -17.583 2.234 7.901
8 1HG2 ILE 1 1HG2 ILE 1 -16.708 4.245 7.021
9 2HG2 ILE 1 2HG2 ILE 1 -16.478 4.418 5.281
10 3HG2 ILE 1 3HG2 ILE 1 -15.157 3.828 6.290
11 1HD1 ILE 1 1HD1 ILE 1 -19.973 2.684 6.808
12 2HD1 ILE 1 2HD1 ILE 1 -18.987 3.411 5.539
13 3HD1 ILE 1 3HD1 ILE 1 -18.879 4.012 7.193
14 H LEU 2 H LEU 2 -14.827 3.280 4.298
15 HA LEU 2 HA LEU 2 -13.729 2.539 1.905
16 1HB LEU 2 2HB LEU 2 -11.568 2.686 3.060
17 2HB LEU 2 1HB LEU 2 -12.680 3.888 3.718
18 HG LEU 2 HG LEU 2 -13.203 1.670 5.279
19 1HD1 LEU 2 1HD1 LEU 2 -10.624 1.308 4.065
20 2HD1 LEU 2 2HD1 LEU 2 -11.442 0.272 5.234
21 3HD1 LEU 2 3HD1 LEU 2 -10.412 1.590 5.794
22 1HD2 LEU 2 1HD2 LEU 2 -11.929 2.910 7.019
23 2HD2 LEU 2 2HD2 LEU 2 -12.957 3.983 6.070
24 3HD2 LEU 2 3HD2 LEU 2 -11.222 3.921 5.759
25 HA PRO 3 HA PRO 3 -13.685 -1.893 1.975
26 1HB PRO 3 2HB PRO 3 -12.172 -2.249 -0.278
27 2HB PRO 3 1HB PRO 3 -13.880 -1.771 -0.330
28 1HG PRO 3 2HG PRO 3 -11.439 -0.111 -0.663
29 2HG PRO 3 1HG PRO 3 -13.001 -0.002 -1.489
30 1HD PRO 3 2HD PRO 3 -12.225 1.655 0.553
31 2HD PRO 3 1HD PRO 3 -13.919 1.297 0.148
32 H TRP 4 H TRP 4 -11.599 -3.511 1.277
33 HA TRP 4 HA TRP 4 -9.140 -2.483 2.599
34 1HB TRP 4 2HB TRP 4 -9.538 -5.056 3.653
35 2HB TRP 4 1HB TRP 4 -9.654 -3.530 4.521
36 HD1 TRP 4 HD1 TRP 4 -11.821 -6.108 2.688
37 HE1 TRP 4 1HE TRP 4 -14.263 -5.834 3.476
38 HE3 TRP 4 3HE TRP 4 -11.351 -1.914 5.552
39 HZ2 TRP 4 2HZ TRP 4 -15.812 -4.061 5.105
40 HZ3 TRP 4 3HZ TRP 4 -13.321 -0.950 6.710
41 HH2 TRP 4 HH2 TRP 4 -15.548 -2.017 6.488
42 H LYS 5 H LYS 5 -9.079 -2.876 0.001
43 HA LYS 5 HA LYS 5 -7.811 -5.556 -0.368
44 1HB LYS 5 2HB LYS 5 -10.058 -4.270 -1.670
45 2HB LYS 5 1HB LYS 5 -8.791 -4.639 -2.840
46 1HG LYS 5 2HG LYS 5 -8.866 -6.940 -2.389
47 2HG LYS 5 1HG LYS 5 -9.634 -6.700 -0.818
48 1HD LYS 5 2HD LYS 5 -11.688 -6.821 -1.729
49 2HD LYS 5 1HD LYS 5 -11.279 -5.595 -2.930
50 1HE LYS 5 2HE LYS 5 -9.985 -7.517 -4.133
51 2HE LYS 5 1HE LYS 5 -10.979 -8.591 -3.129
52 1HZ LYS 5 1HZ LYS 5 -12.346 -6.349 -4.387
53 2HZ LYS 5 2HZ LYS 5 -12.880 -7.942 -4.136
54 3HZ LYS 5 3HZ LYS 5 -11.840 -7.585 -5.430
55 H TRP 6 H TRP 6 -7.033 -2.512 0.004
56 HA TRP 6 HA TRP 6 -5.525 -1.830 -2.346
57 1HB TRP 6 2HB TRP 6 -6.437 -0.215 -0.789
58 2HB TRP 6 1HB TRP 6 -5.524 -0.914 0.532
59 HD1 TRP 6 HD1 TRP 6 -2.903 -0.666 0.443
60 HE1 TRP 6 1HE TRP 6 -1.417 1.162 -0.659
61 HE3 TRP 6 3HE TRP 6 -6.279 1.254 -2.701
62 HZ2 TRP 6 2HZ TRP 6 -1.708 3.210 -2.686
63 HZ3 TRP 6 3HZ TRP 6 -5.720 3.144 -4.243
64 HH2 TRP 6 HH2 TRP 6 -3.432 4.117 -4.234
65 HA PRO 7 HA PRO 7 -1.914 -4.146 -1.249
66 1HB PRO 7 2HB PRO 7 -0.351 -3.292 -3.330
67 2HB PRO 7 1HB PRO 7 -1.708 -4.416 -3.531
68 1HG PRO 7 2HG PRO 7 -1.481 -1.620 -4.342
69 2HG PRO 7 1HG PRO 7 -2.639 -2.845 -4.864
70 1HD PRO 7 2HD PRO 7 -2.997 -0.730 -2.922
71 2HD PRO 7 1HD PRO 7 -4.199 -1.867 -3.567
72 H TRP 8 H TRP 8 0.720 -3.469 -1.606
73 HA TRP 8 HA TRP 8 2.369 -2.520 -0.206
74 1HB TRP 8 2HB TRP 8 1.267 -0.150 -1.709
75 2HB TRP 8 1HB TRP 8 2.942 -0.499 -1.298
76 HD1 TRP 8 HD1 TRP 8 0.464 -0.997 -3.960
77 HE1 TRP 8 1HE TRP 8 1.379 -2.591 -5.773
78 HE3 TRP 8 3HE TRP 8 4.497 -2.844 -1.499
79 HZ2 TRP 8 2HZ TRP 8 3.557 -4.424 -6.112
80 HZ3 TRP 8 3HZ TRP 8 5.986 -4.515 -2.569
81 HH2 TRP 8 HH2 TRP 8 5.517 -5.311 -4.872
82 H TRP 9 H TRP 9 1.421 -2.668 1.925
83 HA TRP 9 HA TRP 9 -0.435 -1.131 3.221
84 1HB TRP 9 2HB TRP 9 0.712 -2.785 4.429
85 2HB TRP 9 1HB TRP 9 2.289 -2.123 4.008
86 HD1 TRP 9 HD1 TRP 9 2.983 0.192 5.186
87 HE1 TRP 9 1HE TRP 9 2.342 1.148 7.497
88 HE3 TRP 9 3HE TRP 9 -1.117 -2.629 6.157
89 HZ2 TRP 9 2HZ TRP 9 0.324 0.751 9.500
90 HZ3 TRP 9 3HZ TRP 9 -2.397 -2.338 8.265
91 HH2 TRP 9 HH2 TRP 9 -1.682 -0.648 9.935
92 HA PRO 10 HA PRO 10 1.141 2.995 3.038
93 1HB PRO 10 2HB PRO 10 -0.795 4.134 4.599
94 2HB PRO 10 1HB PRO 10 -1.099 3.558 2.951
95 1HG PRO 10 2HG PRO 10 -2.031 2.464 5.477
96 2HG PRO 10 1HG PRO 10 -2.561 2.095 3.832
97 1HD PRO 10 2HD PRO 10 -0.730 0.618 5.540
98 2HD PRO 10 1HD PRO 10 -1.475 0.116 4.011
99 H TRP 11 H TRP 11 3.018 3.477 4.201
100 HA TRP 11 HA TRP 11 2.878 3.454 7.173
101 1HB TRP 11 2HB TRP 11 5.274 2.984 7.011
102 2HB TRP 11 1HB TRP 11 4.373 1.829 6.058
103 HD1 TRP 11 HD1 TRP 11 6.405 5.046 5.641
104 HE1 TRP 11 1HE TRP 11 7.337 5.075 3.221
105 HE3 TRP 11 3HE TRP 11 4.095 0.946 3.852
106 HZ2 TRP 11 2HZ TRP 11 7.088 3.503 0.810
107 HZ3 TRP 11 3HZ TRP 11 4.423 0.195 1.493
108 HH2 TRP 11 HH2 TRP 11 5.917 1.474 -0.023
109 H ARG 12 H ARG 12 5.114 4.974 7.676
110 HA ARG 12 HA ARG 12 4.177 7.677 7.258
111 1HB ARG 12 2HB ARG 12 5.389 6.864 9.258
112 2HB ARG 12 1HB ARG 12 6.817 6.567 8.268
113 1HG ARG 12 2HG ARG 12 5.932 9.244 7.776
114 2HG ARG 12 1HG ARG 12 6.031 9.005 9.522
115 1HD ARG 12 2HD ARG 12 8.349 7.993 9.125
116 2HD ARG 12 1HD ARG 12 8.234 8.633 7.474
117 HE ARG 12 HE ARG 12 7.804 10.894 8.567
118 1HH1 ARG 12 1HH2 ARG 12 10.448 9.077 9.214
119 2HH1 ARG 12 2HH2 ARG 12 10.822 9.778 10.753
120 1HH2 ARG 12 2HH1 ARG 12 7.819 11.490 11.003
121 2HH2 ARG 12 1HH1 ARG 12 9.335 11.145 11.765
122 H ARG 13 H ARG 13 4.390 6.781 4.700
123 HA ARG 13 HA ARG 13 7.003 7.208 3.499
124 1HB ARG 13 2HB ARG 13 4.736 5.957 2.771
125 2HB ARG 13 1HB ARG 13 4.463 7.498 1.957
126 1HG ARG 13 2HG ARG 13 7.121 6.121 1.689
127 2HG ARG 13 1HG ARG 13 5.762 5.603 0.695
128 1HD ARG 13 2HD ARG 13 5.557 7.754 -0.330
129 2HD ARG 13 1HD ARG 13 6.623 8.504 0.875
130 HE ARG 13 HE ARG 13 7.498 6.704 -1.316
131 1HH1 ARG 13 1HH1 ARG 13 8.223 8.085 1.741
132 2HH1 ARG 13 2HH1 ARG 13 9.907 8.297 1.403
133 1HH2 ARG 13 1HH2 ARG 13 9.668 7.161 -1.863
134 2HH2 ARG 13 2HH2 ARG 13 10.727 7.773 -0.637
135 1HN NH2 14 1HT ARG 13 3.973 9.195 3.458
136 2HN NH2 14 2HT ARG 13 4.760 10.665 3.143
Start of MODEL 14
1 1H ILE 1 1H ILE 1 -19.039 -0.183 -1.076
2 2H ILE 1 2H ILE 1 -19.258 -0.177 0.608
3 3H ILE 1 3H ILE 1 -17.902 -0.946 -0.073
4 HA ILE 1 HA ILE 1 -17.381 1.405 -1.020
5 HB ILE 1 HB ILE 1 -18.983 2.065 1.442
6 1HG1 ILE 1 2HG1 ILE 1 -20.480 1.011 -0.236
7 2HG1 ILE 1 1HG1 ILE 1 -20.827 2.729 -0.041
8 1HG2 ILE 1 1HG2 ILE 1 -18.747 4.299 0.748
9 2HG2 ILE 1 2HG2 ILE 1 -18.372 3.839 -0.912
10 3HG2 ILE 1 3HG2 ILE 1 -17.178 3.594 0.364
11 1HD1 ILE 1 1HD1 ILE 1 -19.666 3.286 -2.061
12 2HD1 ILE 1 2HD1 ILE 1 -20.699 1.911 -2.450
13 3HD1 ILE 1 3HD1 ILE 1 -18.972 1.669 -2.184
14 H LEU 2 H LEU 2 -15.632 2.486 0.159
15 HA LEU 2 HA LEU 2 -13.758 2.436 1.600
16 1HB LEU 2 2HB LEU 2 -15.878 1.340 3.478
17 2HB LEU 2 1HB LEU 2 -14.387 2.155 3.951
18 HG LEU 2 HG LEU 2 -16.708 3.361 2.421
19 1HD1 LEU 2 1HD1 LEU 2 -17.392 3.694 4.567
20 2HD1 LEU 2 2HD1 LEU 2 -16.162 4.958 4.581
21 3HD1 LEU 2 3HD1 LEU 2 -15.792 3.359 5.226
22 1HD2 LEU 2 1HD2 LEU 2 -14.860 4.415 1.446
23 2HD2 LEU 2 2HD2 LEU 2 -13.890 4.291 2.914
24 3HD2 LEU 2 3HD2 LEU 2 -15.195 5.475 2.815
25 HA PRO 3 HA PRO 3 -13.434 -2.161 0.945
26 1HB PRO 3 2HB PRO 3 -11.353 -2.041 -0.827
27 2HB PRO 3 1HB PRO 3 -13.053 -1.960 -1.327
28 1HG PRO 3 2HG PRO 3 -11.074 0.235 -0.993
29 2HG PRO 3 1HG PRO 3 -12.329 0.024 -2.223
30 1HD PRO 3 2HD PRO 3 -12.583 1.703 -0.090
31 2HD PRO 3 1HD PRO 3 -13.960 0.929 -0.900
32 H TRP 4 H TRP 4 -11.328 -3.460 1.264
33 HA TRP 4 HA TRP 4 -9.223 -1.986 2.759
34 1HB TRP 4 2HB TRP 4 -9.987 -4.414 4.157
35 2HB TRP 4 1HB TRP 4 -9.854 -2.777 4.785
36 HD1 TRP 4 HD1 TRP 4 -12.349 -5.184 3.175
37 HE1 TRP 4 1HE TRP 4 -14.739 -4.328 3.633
38 HE3 TRP 4 3HE TRP 4 -11.275 -0.684 5.336
39 HZ2 TRP 4 2HZ TRP 4 -16.024 -2.035 4.765
40 HZ3 TRP 4 3HZ TRP 4 -13.096 0.816 6.093
41 HH2 TRP 4 HH2 TRP 4 -15.468 0.147 5.811
42 H LYS 5 H LYS 5 -9.094 -3.180 0.254
43 HA LYS 5 HA LYS 5 -7.353 -5.560 0.774
44 1HB LYS 5 2HB LYS 5 -9.672 -5.090 -0.960
45 2HB LYS 5 1HB LYS 5 -8.291 -5.769 -1.816
46 1HG LYS 5 2HG LYS 5 -8.311 -7.732 -0.574
47 2HG LYS 5 1HG LYS 5 -9.060 -6.956 0.823
48 1HD LYS 5 2HD LYS 5 -11.197 -7.122 -0.052
49 2HD LYS 5 1HD LYS 5 -10.627 -7.105 -1.721
50 1HE LYS 5 2HE LYS 5 -9.868 -9.426 0.030
51 2HE LYS 5 1HE LYS 5 -11.495 -9.371 -0.675
52 1HZ LYS 5 1HZ LYS 5 -10.678 -9.354 -2.807
53 2HZ LYS 5 2HZ LYS 5 -9.532 -10.353 -2.048
54 3HZ LYS 5 3HZ LYS 5 -9.172 -8.721 -2.354
55 H TRP 6 H TRP 6 -7.081 -2.498 0.208
56 HA TRP 6 HA TRP 6 -5.795 -2.064 -2.261
57 1HB TRP 6 2HB TRP 6 -6.625 -0.339 -0.792
58 2HB TRP 6 1HB TRP 6 -5.543 -0.839 0.489
59 HD1 TRP 6 HD1 TRP 6 -2.971 -0.487 0.082
60 HE1 TRP 6 1HE TRP 6 -1.716 1.313 -1.324
61 HE3 TRP 6 3HE TRP 6 -6.775 0.999 -2.807
62 HZ2 TRP 6 2HZ TRP 6 -2.345 3.164 -3.462
63 HZ3 TRP 6 3HZ TRP 6 -6.494 2.774 -4.545
64 HH2 TRP 6 HH2 TRP 6 -4.276 3.854 -4.870
65 HA PRO 7 HA PRO 7 -1.925 -4.027 -1.473
66 1HB PRO 7 2HB PRO 7 -0.593 -3.084 -3.680
67 2HB PRO 7 1HB PRO 7 -1.865 -4.313 -3.752
68 1HG PRO 7 2HG PRO 7 -1.929 -1.527 -4.612
69 2HG PRO 7 1HG PRO 7 -3.024 -2.850 -5.019
70 1HD PRO 7 2HD PRO 7 -3.400 -0.733 -3.094
71 2HD PRO 7 1HD PRO 7 -4.546 -1.989 -3.606
72 H TRP 8 H TRP 8 0.633 -3.132 -2.105
73 HA TRP 8 HA TRP 8 2.330 -2.111 -0.807
74 1HB TRP 8 2HB TRP 8 0.996 0.338 -1.924
75 2HB TRP 8 1HB TRP 8 2.705 -0.080 -1.876
76 HD1 TRP 8 HD1 TRP 8 -0.333 -0.395 -3.974
77 HE1 TRP 8 1HE TRP 8 0.197 -1.718 -6.128
78 HE3 TRP 8 3HE TRP 8 4.252 -2.182 -2.751
79 HZ2 TRP 8 2HZ TRP 8 2.317 -3.343 -7.175
80 HZ3 TRP 8 3HZ TRP 8 5.519 -3.622 -4.323
81 HH2 TRP 8 HH2 TRP 8 4.554 -4.208 -6.532
82 H TRP 9 H TRP 9 1.443 -2.552 1.362
83 HA TRP 9 HA TRP 9 -0.379 -1.201 2.881
84 1HB TRP 9 2HB TRP 9 0.763 -2.877 3.983
85 2HB TRP 9 1HB TRP 9 2.326 -2.349 3.371
86 HD1 TRP 9 HD1 TRP 9 3.314 -0.068 4.464
87 HE1 TRP 9 1HE TRP 9 3.136 0.801 6.887
88 HE3 TRP 9 3HE TRP 9 -0.687 -2.767 6.029
89 HZ2 TRP 9 2HZ TRP 9 1.480 0.387 9.200
90 HZ3 TRP 9 3HZ TRP 9 -1.562 -2.525 8.340
91 HH2 TRP 9 HH2 TRP 9 -0.486 -0.947 9.923
92 HA PRO 10 HA PRO 10 1.100 2.957 3.120
93 1HB PRO 10 2HB PRO 10 -0.756 3.842 4.921
94 2HB PRO 10 1HB PRO 10 -1.156 3.457 3.238
95 1HG PRO 10 2HG PRO 10 -1.894 2.040 5.665
96 2HG PRO 10 1HG PRO 10 -2.527 1.858 4.026
97 1HD PRO 10 2HD PRO 10 -0.556 0.235 5.419
98 2HD PRO 10 1HD PRO 10 -1.390 -0.093 3.887
99 H TRP 11 H TRP 11 2.883 3.662 4.279
100 HA TRP 11 HA TRP 11 3.165 2.858 7.124
101 1HB TRP 11 2HB TRP 11 5.558 3.292 6.635
102 2HB TRP 11 1HB TRP 11 4.867 2.142 5.509
103 HD1 TRP 11 HD1 TRP 11 5.588 5.906 5.738
104 HE1 TRP 11 1HE TRP 11 6.042 6.758 3.328
105 HE3 TRP 11 3HE TRP 11 4.653 1.655 3.208
106 HZ2 TRP 11 2HZ TRP 11 5.992 5.702 0.640
107 HZ3 TRP 11 3HZ TRP 11 4.847 1.554 0.719
108 HH2 TRP 11 HH2 TRP 11 5.513 3.577 -0.561
109 H ARG 12 H ARG 12 4.955 4.808 7.919
110 HA ARG 12 HA ARG 12 3.458 7.368 7.553
111 1HB ARG 12 2HB ARG 12 3.094 6.020 9.706
112 2HB ARG 12 1HB ARG 12 4.769 6.411 10.105
113 1HG ARG 12 2HG ARG 12 4.334 8.733 10.164
114 2HG ARG 12 1HG ARG 12 2.792 8.547 9.326
115 1HD ARG 12 2HD ARG 12 1.673 8.050 11.256
116 2HD ARG 12 1HD ARG 12 2.993 7.029 11.861
117 HE ARG 12 HE ARG 12 3.844 8.924 12.977
118 1HH1 ARG 12 2HH1 ARG 12 0.980 9.880 11.625
119 2HH1 ARG 12 1HH1 ARG 12 1.407 11.545 11.409
120 1HH2 ARG 12 1HH2 ARG 12 4.757 11.058 12.158
121 2HH2 ARG 12 2HH2 ARG 12 3.545 12.212 11.710
122 H ARG 13 H ARG 13 5.256 7.728 5.927
123 HA ARG 13 HA ARG 13 7.775 8.616 7.301
124 1HB ARG 13 2HB ARG 13 7.916 6.580 5.818
125 2HB ARG 13 1HB ARG 13 7.419 7.596 4.466
126 1HG ARG 13 2HG ARG 13 9.510 8.385 4.217
127 2HG ARG 13 1HG ARG 13 9.576 8.862 5.914
128 1HD ARG 13 2HD ARG 13 9.860 6.186 6.205
129 2HD ARG 13 1HD ARG 13 10.608 6.395 4.610
130 HE ARG 13 HE ARG 13 11.835 7.200 7.028
131 1HH1 ARG 13 1HH1 ARG 13 12.792 7.348 4.049
132 2HH1 ARG 13 2HH1 ARG 13 13.250 9.017 3.976
133 1HH2 ARG 13 1HH2 ARG 13 11.621 9.868 6.916
134 2HH2 ARG 13 2HH2 ARG 13 12.588 10.444 5.599
135 1HN NH2 14 1HT ARG 13 8.809 10.546 6.206
136 2HN NH2 14 2HT ARG 13 7.831 11.652 5.368
Start of MODEL 15
1 1H ILE 1 1H ILE 1 -20.458 0.388 0.980
2 2H ILE 1 2H ILE 1 -19.096 1.204 1.583
3 3H ILE 1 3H ILE 1 -19.009 -0.457 1.236
4 HA ILE 1 HA ILE 1 -19.230 -0.043 -1.107
5 HB ILE 1 HB ILE 1 -19.539 2.800 -0.153
6 1HG1 ILE 1 2HG1 ILE 1 -21.751 2.014 -1.689
7 2HG1 ILE 1 1HG1 ILE 1 -21.424 0.645 -0.626
8 1HG2 ILE 1 1HG2 ILE 1 -18.447 2.920 -2.252
9 2HG2 ILE 1 2HG2 ILE 1 -20.158 3.110 -2.641
10 3HG2 ILE 1 3HG2 ILE 1 -19.363 1.557 -2.895
11 1HD1 ILE 1 1HD1 ILE 1 -22.219 1.760 1.161
12 2HD1 ILE 1 2HD1 ILE 1 -22.748 3.032 0.059
13 3HD1 ILE 1 3HD1 ILE 1 -21.165 3.135 0.828
14 H LEU 2 H LEU 2 -17.236 0.193 1.266
15 HA LEU 2 HA LEU 2 -14.964 1.222 -0.393
16 1HB LEU 2 2HB LEU 2 -15.305 1.643 2.587
17 2HB LEU 2 1HB LEU 2 -14.140 2.423 1.519
18 HG LEU 2 HG LEU 2 -17.150 2.751 1.369
19 1HD1 LEU 2 1HD1 LEU 2 -14.994 4.710 2.214
20 2HD1 LEU 2 2HD1 LEU 2 -16.063 3.856 3.327
21 3HD1 LEU 2 3HD1 LEU 2 -16.731 5.015 2.178
22 1HD2 LEU 2 1HD2 LEU 2 -15.593 4.732 -0.030
23 2HD2 LEU 2 2HD2 LEU 2 -16.815 3.636 -0.676
24 3HD2 LEU 2 3HD2 LEU 2 -15.129 3.124 -0.586
25 HA PRO 3 HA PRO 3 -13.740 -2.918 0.893
26 1HB PRO 3 2HB PRO 3 -11.663 -3.108 -0.879
27 2HB PRO 3 1HB PRO 3 -13.352 -3.393 -1.339
28 1HG PRO 3 2HG PRO 3 -11.662 -0.979 -1.748
29 2HG PRO 3 1HG PRO 3 -12.854 -1.719 -2.828
30 1HD PRO 3 2HD PRO 3 -13.363 0.500 -1.330
31 2HD PRO 3 1HD PRO 3 -14.617 -0.660 -1.821
32 H TRP 4 H TRP 4 -11.376 -3.771 1.401
33 HA TRP 4 HA TRP 4 -9.590 -1.620 2.416
34 1HB TRP 4 2HB TRP 4 -10.058 -3.783 4.354
35 2HB TRP 4 1HB TRP 4 -9.985 -2.045 4.619
36 HD1 TRP 4 HD1 TRP 4 -12.430 -4.723 3.305
37 HE1 TRP 4 1HE TRP 4 -14.838 -3.927 3.794
38 HE3 TRP 4 3HE TRP 4 -11.456 -0.104 5.245
39 HZ2 TRP 4 2HZ TRP 4 -16.169 -1.634 4.869
40 HZ3 TRP 4 3HZ TRP 4 -13.307 1.365 5.993
41 HH2 TRP 4 HH2 TRP 4 -15.660 0.608 5.807
42 H LYS 5 H LYS 5 -9.150 -3.334 0.283
43 HA LYS 5 HA LYS 5 -7.135 -5.258 1.376
44 1HB LYS 5 2HB LYS 5 -9.279 -5.400 -0.665
45 2HB LYS 5 1HB LYS 5 -7.766 -6.199 -1.074
46 1HG LYS 5 2HG LYS 5 -8.043 -7.820 0.515
47 2HG LYS 5 1HG LYS 5 -8.736 -6.687 1.678
48 1HD LYS 5 2HD LYS 5 -10.770 -7.510 1.191
49 2HD LYS 5 1HD LYS 5 -10.597 -6.862 -0.439
50 1HE LYS 5 2HE LYS 5 -10.372 -8.947 -1.299
51 2HE LYS 5 1HE LYS 5 -9.076 -9.327 -0.146
52 1HZ LYS 5 1HZ LYS 5 -10.740 -9.698 1.561
53 2HZ LYS 5 2HZ LYS 5 -11.036 -10.715 0.233
54 3HZ LYS 5 3HZ LYS 5 -11.985 -9.326 0.472
55 H TRP 6 H TRP 6 -7.198 -2.365 0.194
56 HA TRP 6 HA TRP 6 -5.885 -2.091 -2.219
57 1HB TRP 6 2HB TRP 6 -6.696 -0.267 -0.902
58 2HB TRP 6 1HB TRP 6 -5.646 -0.678 0.437
59 HD1 TRP 6 HD1 TRP 6 -3.058 -0.384 0.042
60 HE1 TRP 6 1HE TRP 6 -1.771 1.337 -1.430
61 HE3 TRP 6 3HE TRP 6 -6.809 0.981 -2.968
62 HZ2 TRP 6 2HZ TRP 6 -2.357 3.088 -3.661
63 HZ3 TRP 6 3HZ TRP 6 -6.493 2.672 -4.783
64 HH2 TRP 6 HH2 TRP 6 -4.264 3.720 -5.128
65 HA PRO 7 HA PRO 7 -1.959 -3.936 -1.457
66 1HB PRO 7 2HB PRO 7 -0.679 -3.034 -3.713
67 2HB PRO 7 1HB PRO 7 -1.923 -4.293 -3.724
68 1HG PRO 7 2HG PRO 7 -2.066 -1.524 -4.649
69 2HG PRO 7 1HG PRO 7 -3.108 -2.894 -5.038
70 1HD PRO 7 2HD PRO 7 -3.601 -0.754 -3.188
71 2HD PRO 7 1HD PRO 7 -4.667 -2.108 -3.619
72 H TRP 8 H TRP 8 0.579 -2.985 -2.184
73 HA TRP 8 HA TRP 8 2.280 -1.906 -0.931
74 1HB TRP 8 2HB TRP 8 0.901 0.531 -1.988
75 2HB TRP 8 1HB TRP 8 2.598 0.077 -2.074
76 HD1 TRP 8 HD1 TRP 8 -0.653 -0.255 -3.871
77 HE1 TRP 8 1HE TRP 8 -0.309 -1.516 -6.099
78 HE3 TRP 8 3HE TRP 8 4.098 -1.898 -3.181
79 HZ2 TRP 8 2HZ TRP 8 1.741 -3.040 -7.402
80 HZ3 TRP 8 3HZ TRP 8 5.239 -3.257 -4.916
81 HH2 TRP 8 HH2 TRP 8 4.063 -3.832 -7.024
82 H TRP 9 H TRP 9 1.349 -2.389 1.249
83 HA TRP 9 HA TRP 9 -0.463 -0.934 2.727
84 1HB TRP 9 2HB TRP 9 0.527 -2.802 3.720
85 2HB TRP 9 1HB TRP 9 2.155 -2.250 3.343
86 HD1 TRP 9 HD1 TRP 9 3.079 -0.158 4.773
87 HE1 TRP 9 1HE TRP 9 2.588 0.535 7.212
88 HE3 TRP 9 3HE TRP 9 -1.231 -2.726 5.525
89 HZ2 TRP 9 2HZ TRP 9 0.595 0.049 9.221
90 HZ3 TRP 9 3HZ TRP 9 -2.422 -2.607 7.701
91 HH2 TRP 9 HH2 TRP 9 -1.516 -1.219 9.546
92 HA PRO 10 HA PRO 10 1.397 3.054 3.167
93 1HB PRO 10 2HB PRO 10 -0.480 4.073 4.877
94 2HB PRO 10 1HB PRO 10 -0.804 3.777 3.158
95 1HG PRO 10 2HG PRO 10 -1.839 2.379 5.485
96 2HG PRO 10 1HG PRO 10 -2.371 2.300 3.802
97 1HD PRO 10 2HD PRO 10 -0.666 0.461 5.272
98 2HD PRO 10 1HD PRO 10 -1.425 0.246 3.683
99 H TRP 11 H TRP 11 3.273 3.230 4.413
100 HA TRP 11 HA TRP 11 3.139 2.560 7.302
101 1HB TRP 11 2HB TRP 11 5.613 2.385 6.977
102 2HB TRP 11 1HB TRP 11 4.706 1.313 5.929
103 HD1 TRP 11 HD1 TRP 11 6.362 4.769 5.838
104 HE1 TRP 11 1HE TRP 11 7.114 5.219 3.397
105 HE3 TRP 11 3HE TRP 11 4.447 0.661 3.647
106 HZ2 TRP 11 2HZ TRP 11 6.894 3.938 0.821
107 HZ3 TRP 11 3HZ TRP 11 4.703 0.254 1.200
108 HH2 TRP 11 HH2 TRP 11 5.925 1.894 -0.213
109 H ARG 12 H ARG 12 5.252 4.017 8.225
110 HA ARG 12 HA ARG 12 5.627 6.143 9.180
111 1HB ARG 12 2HB ARG 12 6.929 6.105 7.121
112 2HB ARG 12 1HB ARG 12 5.514 6.591 6.188
113 1HG ARG 12 2HG ARG 12 5.575 8.551 8.070
114 2HG ARG 12 1HG ARG 12 7.297 8.210 7.895
115 1HD ARG 12 2HD ARG 12 6.615 8.268 5.282
116 2HD ARG 12 1HD ARG 12 5.399 9.390 5.925
117 HE ARG 12 HE ARG 12 8.318 9.700 6.524
118 1HH1 ARG 12 1HH2 ARG 12 5.720 11.218 7.594
119 2HH1 ARG 12 2HH2 ARG 12 5.961 12.735 6.796
120 1HH2 ARG 12 2HH1 ARG 12 8.417 11.528 4.666
121 2HH2 ARG 12 1HH1 ARG 12 7.489 12.911 5.138
122 H ARG 13 H ARG 13 3.260 6.044 9.999
123 HA ARG 13 HA ARG 13 1.094 7.318 8.682
124 1HB ARG 13 2HB ARG 13 1.732 6.180 11.186
125 2HB ARG 13 1HB ARG 13 1.144 7.805 11.540
126 1HG ARG 13 2HG ARG 13 -0.750 7.197 9.826
127 2HG ARG 13 1HG ARG 13 -0.281 5.535 10.182
128 1HD ARG 13 2HD ARG 13 -0.413 6.552 12.711
129 2HD ARG 13 1HD ARG 13 -1.682 7.495 11.904
130 HE ARG 13 HE ARG 13 -1.678 4.597 11.341
131 1HH1 ARG 13 1HH1 ARG 13 -2.321 5.743 14.248
132 2HH1 ARG 13 2HH1 ARG 13 -4.048 5.620 14.201
133 1HH2 ARG 13 1HH2 ARG 13 -4.180 5.089 10.775
134 2HH2 ARG 13 2HH2 ARG 13 -5.099 5.250 12.234
135 1HN NH2 14 1HT ARG 13 0.185 9.516 9.962
136 2HN NH2 14 2HT ARG 13 1.285 10.808 9.907
Start of MODEL 16
1 1H ILE 1 1H ILE 1 -18.991 2.456 2.628
2 2H ILE 1 2H ILE 1 -18.131 1.077 2.133
3 3H ILE 1 3H ILE 1 -18.808 2.120 0.976
4 HA ILE 1 HA ILE 1 -17.232 3.786 1.347
5 HB ILE 1 HB ILE 1 -15.747 3.483 3.442
6 1HG1 ILE 1 2HG1 ILE 1 -18.001 1.870 4.556
7 2HG1 ILE 1 1HG1 ILE 1 -16.805 1.023 3.574
8 1HG2 ILE 1 1HG2 ILE 1 -18.498 4.422 3.148
9 2HG2 ILE 1 2HG2 ILE 1 -17.141 5.178 3.985
10 3HG2 ILE 1 3HG2 ILE 1 -18.125 3.969 4.810
11 1HD1 ILE 1 1HD1 ILE 1 -15.097 1.395 5.079
12 2HD1 ILE 1 2HD1 ILE 1 -16.457 1.370 6.201
13 3HD1 ILE 1 3HD1 ILE 1 -15.793 2.910 5.654
14 H LEU 2 H LEU 2 -14.771 3.634 1.151
15 HA LEU 2 HA LEU 2 -13.860 1.833 -0.718
16 1HB LEU 2 2HB LEU 2 -11.620 2.382 0.136
17 2HB LEU 2 1HB LEU 2 -12.659 3.807 0.212
18 HG LEU 2 HG LEU 2 -13.110 2.534 2.647
19 1HD1 LEU 2 1HD1 LEU 2 -10.387 2.665 3.162
20 2HD1 LEU 2 2HD1 LEU 2 -10.461 1.845 1.602
21 3HD1 LEU 2 3HD1 LEU 2 -11.327 1.182 2.989
22 1HD2 LEU 2 1HD2 LEU 2 -11.884 4.454 3.573
23 2HD2 LEU 2 2HD2 LEU 2 -12.870 4.969 2.207
24 3HD2 LEU 2 3HD2 LEU 2 -11.133 4.748 2.006
25 HA PRO 3 HA PRO 3 -13.810 -2.099 1.280
26 1HB PRO 3 2HB PRO 3 -12.126 -3.395 -0.444
27 2HB PRO 3 1HB PRO 3 -13.809 -3.006 -0.849
28 1HG PRO 3 2HG PRO 3 -11.300 -1.628 -1.657
29 2HG PRO 3 1HG PRO 3 -12.779 -1.919 -2.585
30 1HD PRO 3 2HD PRO 3 -12.151 0.480 -1.430
31 2HD PRO 3 1HD PRO 3 -13.813 -0.055 -1.767
32 H TRP 4 H TRP 4 -11.746 -3.844 1.565
33 HA TRP 4 HA TRP 4 -9.511 -2.249 2.778
34 1HB TRP 4 2HB TRP 4 -10.030 -4.786 4.094
35 2HB TRP 4 1HB TRP 4 -9.953 -3.173 4.793
36 HD1 TRP 4 HD1 TRP 4 -12.430 -5.521 3.005
37 HE1 TRP 4 1HE TRP 4 -14.820 -4.892 3.741
38 HE3 TRP 4 3HE TRP 4 -11.423 -1.394 5.838
39 HZ2 TRP 4 2HZ TRP 4 -16.132 -2.899 5.323
40 HZ3 TRP 4 3HZ TRP 4 -13.257 -0.150 6.947
41 HH2 TRP 4 HH2 TRP 4 -15.609 -0.897 6.693
42 H LYS 5 H LYS 5 -9.233 -3.209 0.245
43 HA LYS 5 HA LYS 5 -7.459 -5.594 0.601
44 1HB LYS 5 2HB LYS 5 -9.770 -5.075 -1.107
45 2HB LYS 5 1HB LYS 5 -8.355 -5.582 -2.028
46 1HG LYS 5 2HG LYS 5 -8.161 -7.619 -0.811
47 2HG LYS 5 1HG LYS 5 -9.259 -7.055 0.450
48 1HD LYS 5 2HD LYS 5 -10.963 -8.005 -0.670
49 2HD LYS 5 1HD LYS 5 -10.686 -6.863 -1.986
50 1HE LYS 5 2HE LYS 5 -8.685 -8.681 -2.446
51 2HE LYS 5 1HE LYS 5 -9.975 -9.725 -1.816
52 1HZ LYS 5 1HZ LYS 5 -11.439 -8.202 -3.337
53 2HZ LYS 5 2HZ LYS 5 -10.628 -9.546 -3.986
54 3HZ LYS 5 3HZ LYS 5 -9.983 -7.985 -4.179
55 H TRP 6 H TRP 6 -7.207 -2.499 0.301
56 HA TRP 6 HA TRP 6 -5.894 -1.850 -2.109
57 1HB TRP 6 2HB TRP 6 -6.734 -0.251 -0.513
58 2HB TRP 6 1HB TRP 6 -5.673 -0.864 0.738
59 HD1 TRP 6 HD1 TRP 6 -3.088 -0.496 0.390
60 HE1 TRP 6 1HE TRP 6 -1.811 1.413 -0.834
61 HE3 TRP 6 3HE TRP 6 -6.845 1.245 -2.410
62 HZ2 TRP 6 2HZ TRP 6 -2.403 3.445 -2.813
63 HZ3 TRP 6 3HZ TRP 6 -6.536 3.165 -3.983
64 HH2 TRP 6 HH2 TRP 6 -4.313 4.260 -4.184
65 HA PRO 7 HA PRO 7 -2.044 -3.901 -1.417
66 1HB PRO 7 2HB PRO 7 -0.709 -2.873 -3.574
67 2HB PRO 7 1HB PRO 7 -2.000 -4.080 -3.708
68 1HG PRO 7 2HG PRO 7 -2.027 -1.251 -4.429
69 2HG PRO 7 1HG PRO 7 -3.137 -2.537 -4.905
70 1HD PRO 7 2HD PRO 7 -3.488 -0.515 -2.872
71 2HD PRO 7 1HD PRO 7 -4.652 -1.727 -3.448
72 H TRP 8 H TRP 8 0.497 -3.114 -1.915
73 HA TRP 8 HA TRP 8 2.205 -2.169 -0.570
74 1HB TRP 8 2HB TRP 8 1.071 0.307 -1.840
75 2HB TRP 8 1HB TRP 8 2.750 -0.200 -1.690
76 HD1 TRP 8 HD1 TRP 8 -0.196 -0.428 -3.927
77 HE1 TRP 8 1HE TRP 8 0.360 -1.863 -5.999
78 HE3 TRP 8 3HE TRP 8 4.213 -2.429 -2.407
79 HZ2 TRP 8 2HZ TRP 8 2.425 -3.644 -6.879
80 HZ3 TRP 8 3HZ TRP 8 5.467 -3.997 -3.864
81 HH2 TRP 8 HH2 TRP 8 4.576 -4.610 -6.097
82 H TRP 9 H TRP 9 1.314 -2.425 1.596
83 HA TRP 9 HA TRP 9 -0.506 -0.827 2.939
84 1HB TRP 9 2HB TRP 9 0.407 -2.673 4.062
85 2HB TRP 9 1HB TRP 9 2.060 -2.171 3.721
86 HD1 TRP 9 HD1 TRP 9 2.999 -0.072 5.088
87 HE1 TRP 9 1HE TRP 9 2.406 0.810 7.440
88 HE3 TRP 9 3HE TRP 9 -1.473 -2.368 5.733
89 HZ2 TRP 9 2HZ TRP 9 0.273 0.559 9.350
90 HZ3 TRP 9 3HZ TRP 9 -2.785 -2.044 7.817
91 HH2 TRP 9 HH2 TRP 9 -1.918 -0.580 9.623
92 HA PRO 10 HA PRO 10 1.500 3.108 3.092
93 1HB PRO 10 2HB PRO 10 -0.362 4.348 4.663
94 2HB PRO 10 1HB PRO 10 -0.661 3.923 2.968
95 1HG PRO 10 2HG PRO 10 -1.799 2.765 5.380
96 2HG PRO 10 1HG PRO 10 -2.318 2.590 3.699
97 1HD PRO 10 2HD PRO 10 -0.748 0.768 5.323
98 2HD PRO 10 1HD PRO 10 -1.464 0.494 3.722
99 H TRP 11 H TRP 11 3.373 3.227 4.355
100 HA TRP 11 HA TRP 11 3.125 2.904 7.295
101 1HB TRP 11 2HB TRP 11 5.574 2.462 7.070
102 2HB TRP 11 1HB TRP 11 4.593 1.367 6.117
103 HD1 TRP 11 HD1 TRP 11 6.581 4.619 5.704
104 HE1 TRP 11 1HE TRP 11 7.422 4.725 3.254
105 HE3 TRP 11 3HE TRP 11 4.316 0.499 3.903
106 HZ2 TRP 11 2HZ TRP 11 7.131 3.198 0.822
107 HZ3 TRP 11 3HZ TRP 11 4.582 -0.196 1.521
108 HH2 TRP 11 HH2 TRP 11 5.987 1.157 -0.018
109 H ARG 12 H ARG 12 5.310 4.266 8.142
110 HA ARG 12 HA ARG 12 4.527 7.023 8.011
111 1HB ARG 12 2HB ARG 12 6.231 7.226 9.643
112 2HB ARG 12 1HB ARG 12 5.610 5.601 9.864
113 1HG ARG 12 2HG ARG 12 7.524 5.082 8.043
114 2HG ARG 12 1HG ARG 12 8.247 6.493 8.815
115 1HD ARG 12 2HD ARG 12 7.136 4.677 10.803
116 2HD ARG 12 1HD ARG 12 8.347 3.871 9.787
117 HE ARG 12 HE ARG 12 8.853 6.457 11.214
118 1HH1 ARG 12 1HH2 ARG 12 10.547 5.296 8.849
119 2HH1 ARG 12 2HH2 ARG 12 11.886 4.652 9.740
120 1HH2 ARG 12 2HH1 ARG 12 10.277 4.833 12.805
121 2HH2 ARG 12 1HH1 ARG 12 11.732 4.391 11.979
122 H ARG 13 H ARG 13 4.953 6.435 5.364
123 HA ARG 13 HA ARG 13 7.605 6.765 4.359
124 1HB ARG 13 2HB ARG 13 5.512 5.986 3.168
125 2HB ARG 13 1HB ARG 13 4.988 7.669 3.124
126 1HG ARG 13 2HG ARG 13 7.725 7.424 2.197
127 2HG ARG 13 1HG ARG 13 6.651 6.385 1.261
128 1HD ARG 13 2HD ARG 13 5.092 8.508 1.202
129 2HD ARG 13 1HD ARG 13 6.600 9.378 1.549
130 HE ARG 13 HE ARG 13 7.235 8.916 -0.672
131 1HH1 ARG 13 1HH1 ARG 13 4.255 7.634 -0.584
132 2HH1 ARG 13 2HH1 ARG 13 4.574 6.238 -1.560
133 1HH2 ARG 13 1HH2 ARG 13 8.018 6.633 -1.462
134 2HH2 ARG 13 2HH2 ARG 13 6.706 5.672 -2.058
135 1HN NH2 14 1HT ARG 13 8.238 8.587 6.017
136 2HN NH2 14 2HT ARG 13 7.941 10.190 5.541