NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
630475 |
6cou   |
30433 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 HT1 ALA 1 1.104 2.337 2.874
2 H2 ALA 1 HT2 ALA 1 -0.017 2.434 1.603
3 H3 ALA 1 HT3 ALA 1 -0.371 1.505 2.981
4 HA ALA 1 HA ALA 1 -1.011 3.228 4.184
5 HB1 ALA 1 HB1 ALA 1 1.343 4.155 4.242
6 HB2 ALA 1 HB2 ALA 1 0.110 5.469 4.136
7 HB3 ALA 1 HB3 ALA 1 1.027 4.971 2.663
8 H MET 2 HN MET 2 -2.238 2.342 1.735
9 HA MET 2 HA MET 2 -3.793 2.945 0.278
10 HB2 MET 2 HB2 MET 2 -3.989 5.457 2.021
11 HB3 MET 2 HB1 MET 2 -5.081 5.126 0.629
12 HG2 MET 2 HG2 MET 2 -5.873 3.052 1.677
13 HG3 MET 2 HG1 MET 2 -4.703 3.237 3.020
14 HE1 MET 2 HE1 MET 2 -7.156 6.064 1.256
15 HE2 MET 2 HE2 MET 2 -8.619 5.464 2.109
16 HE3 MET 2 HE3 MET 2 -7.648 4.341 1.096
17 H ARG 3 HN ARG 3 -1.469 3.130 -0.901
18 HA ARG 3 HA ARG 3 -1.085 5.842 -1.768
19 HB2 ARG 3 HB2 ARG 3 0.762 3.921 -1.477
20 HB3 ARG 3 HB1 ARG 3 0.246 3.515 -3.148
21 HG2 ARG 3 HG2 ARG 3 0.531 6.274 -3.311
22 HG3 ARG 3 HG1 ARG 3 1.817 5.848 -2.127
23 HD2 ARG 3 HD2 ARG 3 2.773 4.187 -3.738
24 HD3 ARG 3 HD1 ARG 3 1.454 4.587 -4.927
25 HE ARG 3 HE ARG 3 2.841 7.003 -4.090
26 HH11 ARG 3 HH11 ARG 3 3.140 4.056 -6.066
27 HH12 ARG 3 HH12 ARG 3 4.204 4.763 -7.236
28 HH21 ARG 3 HH21 ARG 3 4.282 7.969 -5.684
29 HH22 ARG 3 HH22 ARG 3 4.863 7.027 -7.014
30 H ILE 4 HN ILE 4 -3.374 5.837 -2.368
31 HA ILE 4 HA ILE 4 -3.570 4.952 -5.149
32 HB ILE 4 HB ILE 4 -6.019 5.120 -4.792
33 HG12 ILE 4 HG12 ILE 4 -5.180 5.318 -1.843
34 HG13 ILE 4 HG11 ILE 4 -5.889 6.640 -2.836
35 HG21 ILE 4 HG21 ILE 4 -4.946 2.904 -4.822
36 HG22 ILE 4 HG22 ILE 4 -6.108 2.901 -3.442
37 HG23 ILE 4 HG23 ILE 4 -4.340 3.117 -3.135
38 HD11 ILE 4 HD11 ILE 4 -7.808 5.853 -1.743
39 HD12 ILE 4 HD12 ILE 4 -7.232 4.143 -1.714
40 HD13 ILE 4 HD13 ILE 4 -7.862 4.857 -3.247
41 H SER 5 HN SER 5 -3.549 7.440 -2.761
42 HA SER 5 HA SER 5 -4.503 9.292 -4.820
43 HB2 SER 5 HB2 SER 5 -4.801 9.553 -1.769
44 HB3 SER 5 HB1 SER 5 -5.229 10.847 -2.958
45 HG SER 5 HG SER 5 -6.385 8.658 -3.797
46 H ARG 6 HN ARG 6 -1.741 8.355 -4.540
47 HA ARG 6 HA ARG 6 -0.669 10.939 -3.948
48 HB2 ARG 6 HB2 ARG 6 -0.165 9.764 -1.883
49 HB3 ARG 6 HB1 ARG 6 0.274 8.277 -2.786
50 HG2 ARG 6 HG2 ARG 6 2.221 9.657 -1.825
51 HG3 ARG 6 HG1 ARG 6 2.329 9.199 -3.559
52 HD2 ARG 6 HD2 ARG 6 2.993 11.589 -3.288
53 HD3 ARG 6 HD1 ARG 6 1.410 11.495 -4.186
54 HE ARG 6 HE ARG 6 0.319 12.443 -2.294
55 HH11 ARG 6 HH11 ARG 6 3.687 11.545 -1.533
56 HH12 ARG 6 HH12 ARG 6 3.722 12.369 -0.010
57 HH21 ARG 6 HH21 ARG 6 0.374 13.561 -0.226
58 HH22 ARG 6 HH22 ARG 6 1.808 13.534 0.744
59 H ILE 7 HN ILE 7 -1.558 9.191 -6.228
60 HA ILE 7 HA ILE 7 1.011 9.276 -7.594
61 HB ILE 7 HB ILE 7 -1.332 7.646 -8.540
62 HG12 ILE 7 HG12 ILE 7 0.108 5.757 -7.207
63 HG13 ILE 7 HG11 ILE 7 0.504 7.180 -6.175
64 HG21 ILE 7 HG21 ILE 7 0.518 7.900 -10.124
65 HG22 ILE 7 HG22 ILE 7 0.667 6.242 -9.428
66 HG23 ILE 7 HG23 ILE 7 1.748 7.564 -8.846
67 HD11 ILE 7 HD11 ILE 7 -2.316 7.325 -6.597
68 HD12 ILE 7 HD12 ILE 7 -1.444 6.880 -5.086
69 HD13 ILE 7 HD13 ILE 7 -1.960 5.593 -6.245
70 H ILE 8 HN ILE 8 -1.798 10.664 -6.913
71 HA ILE 8 HA ILE 8 -2.004 11.910 -9.528
72 HB ILE 8 HB ILE 8 -4.116 11.912 -7.359
73 HG12 ILE 8 HG12 ILE 8 -5.110 10.060 -9.087
74 HG13 ILE 8 HG11 ILE 8 -3.349 9.745 -9.296
75 HG21 ILE 8 HG21 ILE 8 -3.964 12.575 -10.365
76 HG22 ILE 8 HG22 ILE 8 -4.584 13.591 -9.008
77 HG23 ILE 8 HG23 ILE 8 -5.550 12.186 -9.598
78 HD11 ILE 8 HD11 ILE 8 -3.791 8.308 -7.500
79 HD12 ILE 8 HD12 ILE 8 -5.099 9.349 -6.825
80 HD13 ILE 8 HD13 ILE 8 -3.364 9.801 -6.582
81 H LEU 9 HN LEU 9 -0.197 12.054 -7.619
82 HA LEU 9 HA LEU 9 -0.145 14.796 -7.032
83 HB2 LEU 9 HB2 LEU 9 -0.086 12.595 -4.983
84 HB3 LEU 9 HB1 LEU 9 1.154 13.882 -4.858
85 HG LEU 9 HG LEU 9 -0.605 14.518 -3.388
86 HD11 LEU 9 HD11 LEU 9 -1.701 16.392 -5.321
87 HD12 LEU 9 HD12 LEU 9 0.040 16.124 -5.727
88 HD13 LEU 9 HD13 LEU 9 -0.432 16.670 -4.071
89 HD21 LEU 9 HD21 LEU 9 -2.801 13.983 -3.652
90 HD22 LEU 9 HD22 LEU 9 -2.257 12.990 -5.061
91 HD23 LEU 9 HD23 LEU 9 -2.866 14.673 -5.320
92 H DAS 10 HN DAS 10 0.798 11.497 -7.068
93 HA DAS 10 HA DAS 10 2.633 10.514 -7.647
94 HB2 DAS 10 HB2 DAS 10 4.150 13.126 -7.906
95 HB3 DAS 10 HB1 DAS 10 3.875 12.369 -6.290
96 H PHE 11 HN PHE 11 1.087 13.026 -9.123
97 HA PHE 11 HA PHE 11 2.337 12.491 -11.710
98 HB2 PHE 11 HB2 PHE 11 0.233 11.895 -12.536
99 HB3 PHE 11 HB1 PHE 11 -0.410 12.062 -10.848
100 HD1 PHE 11 HD1 PHE 11 0.218 13.854 -13.998
101 HD2 PHE 11 HD2 PHE 11 -1.491 13.860 -10.148
102 HE1 PHE 11 HE1 PHE 11 -0.802 15.991 -14.468
103 HE2 PHE 11 HE2 PHE 11 -2.527 15.945 -10.566
104 HZ PHE 11 HZ PHE 11 -2.252 17.076 -12.769
105 H LEU 12 HN LEU 12 0.990 14.588 -9.175
106 HA LEU 12 HA LEU 12 0.694 16.913 -10.672
107 HB2 LEU 12 HB2 LEU 12 0.993 16.103 -7.864
108 HB3 LEU 12 HB1 LEU 12 1.521 17.792 -8.165
109 HG LEU 12 HG LEU 12 -0.621 17.977 -7.492
110 HD11 LEU 12 HD11 LEU 12 -0.127 18.998 -9.838
111 HD12 LEU 12 HD12 LEU 12 -1.847 18.927 -9.292
112 HD13 LEU 12 HD13 LEU 12 -1.221 17.716 -10.473
113 HD21 LEU 12 HD21 LEU 12 -0.977 15.322 -8.780
114 HD22 LEU 12 HD22 LEU 12 -2.447 16.380 -8.693
115 HD23 LEU 12 HD23 LEU 12 -1.546 15.944 -7.193
116 H PHE 13 HN PHE 13 3.457 15.794 -8.683
117 HA PHE 13 HA PHE 13 4.805 18.202 -9.342
118 HB2 PHE 13 HB2 PHE 13 6.330 15.863 -8.159
119 HB3 PHE 13 HB1 PHE 13 6.391 17.621 -7.698
120 HD1 PHE 13 HD1 PHE 13 5.442 14.572 -6.642
121 HD2 PHE 13 HD2 PHE 13 3.971 18.492 -7.185
122 HE1 PHE 13 HE1 PHE 13 3.614 14.102 -5.163
123 HE2 PHE 13 HE2 PHE 13 2.159 18.032 -5.697
124 HZ PHE 13 HZ PHE 13 1.960 15.839 -4.690
125 H LEU 14 HN LEU 14 3.857 15.884 -11.141
126 HA LEU 14 HA LEU 14 6.377 15.522 -12.530
127 HB2 LEU 14 HB2 LEU 14 3.904 13.751 -12.482
128 HB3 LEU 14 HB1 LEU 14 5.370 13.431 -13.487
129 HG LEU 14 HG LEU 14 5.100 13.359 -10.418
130 HD11 LEU 14 HD11 LEU 14 4.566 11.333 -12.044
131 HD12 LEU 14 HD12 LEU 14 5.602 11.046 -10.593
132 HD13 LEU 14 HD13 LEU 14 6.357 11.213 -12.223
133 HD21 LEU 14 HD21 LEU 14 7.606 13.769 -12.110
134 HD22 LEU 14 HD22 LEU 14 7.704 12.642 -10.705
135 HD23 LEU 14 HD23 LEU 14 7.208 14.357 -10.451
136 H ARG 15 HN ARG 15 3.276 17.054 -12.692
137 HA ARG 15 HA ARG 15 2.812 16.495 -15.429
138 HB2 ARG 15 HB2 ARG 15 1.156 18.268 -15.406
139 HB3 ARG 15 HB1 ARG 15 0.927 17.108 -14.041
140 HG2 ARG 15 HG2 ARG 15 2.440 18.893 -12.736
141 HG3 ARG 15 HG1 ARG 15 1.855 19.989 -14.028
142 HD2 ARG 15 HD2 ARG 15 -0.077 18.222 -12.459
143 HD3 ARG 15 HD1 ARG 15 0.424 19.869 -11.856
144 HE ARG 15 HE ARG 15 -0.389 20.041 -14.633
145 HH11 ARG 15 HH11 ARG 15 -1.656 19.532 -11.342
146 HH12 ARG 15 HH12 ARG 15 -3.224 20.185 -11.680
147 HH21 ARG 15 HH21 ARG 15 -2.519 20.927 -15.091
148 HH22 ARG 15 HH22 ARG 15 -3.723 20.990 -13.847
149 H LYS 16 HN LYS 16 4.629 18.816 -13.583
150 HA LYS 16 HA LYS 16 6.095 19.797 -15.613
151 HB2 LYS 16 HB2 LYS 16 4.996 21.829 -16.397
152 HB3 LYS 16 HB1 LYS 16 3.808 20.490 -16.584
153 HG2 LYS 16 HG2 LYS 16 2.372 21.857 -15.536
154 HG3 LYS 16 HG1 LYS 16 3.198 21.313 -14.044
155 HD2 LYS 16 HD2 LYS 16 3.422 23.581 -13.692
156 HD3 LYS 16 HD1 LYS 16 4.879 23.355 -14.722
157 HE2 LYS 16 HE2 LYS 16 3.596 24.076 -16.741
158 HE3 LYS 16 HE1 LYS 16 2.094 24.247 -15.739
159 HZ1 LYS 16 HZ1 LYS 16 3.969 26.155 -16.214
160 HZ2 LYS 16 HZ2 LYS 16 4.339 25.642 -14.638
161 HZ3 LYS 16 HZ3 LYS 16 2.775 26.188 -15.007
162 H LYS 17 HN LYS 17 4.238 20.149 -12.683
163 HA LYS 17 HA LYS 17 5.461 22.368 -11.594
164 HB2 LYS 17 HB2 LYS 17 4.082 19.882 -10.489
165 HB3 LYS 17 HB1 LYS 17 4.834 21.086 -9.363
166 HG2 LYS 17 HG2 LYS 17 3.437 22.896 -10.272
167 HG3 LYS 17 HG1 LYS 17 2.780 21.804 -11.544
168 HD2 LYS 17 HD2 LYS 17 1.108 21.987 -9.813
169 HD3 LYS 17 HD1 LYS 17 1.825 20.344 -9.696
170 HE2 LYS 17 HE2 LYS 17 3.219 21.045 -7.758
171 HE3 LYS 17 HE1 LYS 17 2.616 22.748 -7.913
172 HZ1 LYS 17 HZ1 LYS 17 1.545 21.025 -6.290
173 HZ2 LYS 17 HZ2 LYS 17 0.653 20.585 -7.667
174 HZ3 LYS 17 HZ3 LYS 17 0.609 22.185 -7.103
Start of MODEL 2
1 H1 ALA 1 HT1 ALA 1 -1.162 6.451 4.392
2 H2 ALA 1 HT2 ALA 1 -0.455 5.484 3.187
3 H3 ALA 1 HT3 ALA 1 0.151 5.442 4.774
4 HA ALA 1 HA ALA 1 -1.120 3.721 5.137
5 HB1 ALA 1 HB1 ALA 1 -2.538 5.447 6.251
6 HB2 ALA 1 HB2 ALA 1 -3.590 4.180 5.512
7 HB3 ALA 1 HB3 ALA 1 -3.377 5.772 4.687
8 H MET 2 HN MET 2 -2.602 5.550 2.365
9 HA MET 2 HA MET 2 -2.868 2.937 1.045
10 HB2 MET 2 HB2 MET 2 -4.751 5.359 0.788
11 HB3 MET 2 HB1 MET 2 -4.864 3.846 -0.176
12 HG2 MET 2 HG2 MET 2 -5.303 2.532 1.892
13 HG3 MET 2 HG1 MET 2 -5.154 4.017 2.882
14 HE1 MET 2 HE1 MET 2 -7.455 2.121 3.206
15 HE2 MET 2 HE2 MET 2 -8.884 3.209 3.268
16 HE3 MET 2 HE3 MET 2 -7.348 3.698 4.063
17 H ARG 3 HN ARG 3 -2.061 2.905 -1.103
18 HA ARG 3 HA ARG 3 -0.898 5.450 -1.870
19 HB2 ARG 3 HB2 ARG 3 0.370 3.061 -1.822
20 HB3 ARG 3 HB1 ARG 3 -0.400 2.924 -3.440
21 HG2 ARG 3 HG2 ARG 3 0.849 5.572 -3.007
22 HG3 ARG 3 HG1 ARG 3 2.029 4.224 -2.831
23 HD2 ARG 3 HD2 ARG 3 0.100 4.326 -5.227
24 HD3 ARG 3 HD1 ARG 3 1.677 5.236 -5.239
25 HE ARG 3 HE ARG 3 2.260 2.577 -4.400
26 HH11 ARG 3 HH11 ARG 3 0.919 4.306 -7.209
27 HH12 ARG 3 HH12 ARG 3 1.475 3.156 -8.378
28 HH21 ARG 3 HH21 ARG 3 3.019 1.012 -5.989
29 HH22 ARG 3 HH22 ARG 3 2.690 1.251 -7.672
30 H ILE 4 HN ILE 4 -3.124 6.095 -2.168
31 HA ILE 4 HA ILE 4 -3.985 5.338 -4.854
32 HB ILE 4 HB ILE 4 -6.213 6.137 -4.143
33 HG12 ILE 4 HG12 ILE 4 -4.922 6.129 -1.358
34 HG13 ILE 4 HG11 ILE 4 -5.407 7.583 -2.300
35 HG21 ILE 4 HG21 ILE 4 -6.692 4.032 -2.711
36 HG22 ILE 4 HG22 ILE 4 -4.906 3.771 -2.637
37 HG23 ILE 4 HG23 ILE 4 -5.762 3.713 -4.225
38 HD11 ILE 4 HD11 ILE 4 -7.222 7.247 -0.786
39 HD12 ILE 4 HD12 ILE 4 -7.215 5.457 -1.018
40 HD13 ILE 4 HD13 ILE 4 -7.816 6.537 -2.334
41 H SER 5 HN SER 5 -2.851 7.660 -2.616
42 HA SER 5 HA SER 5 -3.680 9.772 -4.478
43 HB2 SER 5 HB2 SER 5 -3.113 10.006 -1.458
44 HB3 SER 5 HB1 SER 5 -3.449 11.403 -2.558
45 HG SER 5 HG SER 5 -5.356 10.900 -1.729
46 H ARG 6 HN ARG 6 -1.278 8.086 -4.855
47 HA ARG 6 HA ARG 6 0.481 10.309 -4.799
48 HB2 ARG 6 HB2 ARG 6 1.167 9.165 -2.729
49 HB3 ARG 6 HB1 ARG 6 1.196 7.591 -3.599
50 HG2 ARG 6 HG2 ARG 6 3.468 8.817 -3.199
51 HG3 ARG 6 HG1 ARG 6 3.130 8.132 -4.822
52 HD2 ARG 6 HD2 ARG 6 4.096 10.410 -5.083
53 HD3 ARG 6 HD1 ARG 6 2.348 10.445 -5.595
54 HE ARG 6 HE ARG 6 1.849 11.758 -3.669
55 HH11 ARG 6 HH11 ARG 6 5.185 10.500 -3.560
56 HH12 ARG 6 HH12 ARG 6 5.681 11.504 -2.239
57 HH21 ARG 6 HH21 ARG 6 2.529 13.119 -1.875
58 HH22 ARG 6 HH22 ARG 6 4.146 13.016 -1.266
59 H ILE 7 HN ILE 7 -1.086 9.436 -6.723
60 HA ILE 7 HA ILE 7 0.865 8.384 -8.563
61 HB ILE 7 HB ILE 7 -2.055 7.667 -8.881
62 HG12 ILE 7 HG12 ILE 7 -1.069 5.361 -7.794
63 HG13 ILE 7 HG11 ILE 7 -0.077 6.553 -6.885
64 HG21 ILE 7 HG21 ILE 7 0.613 6.348 -9.746
65 HG22 ILE 7 HG22 ILE 7 -0.445 7.379 -10.785
66 HG23 ILE 7 HG23 ILE 7 -1.039 5.779 -10.197
67 HD11 ILE 7 HD11 ILE 7 -3.137 6.315 -6.943
68 HD12 ILE 7 HD12 ILE 7 -2.280 7.779 -6.325
69 HD13 ILE 7 HD13 ILE 7 -2.018 6.181 -5.532
70 H ILE 8 HN ILE 8 -2.155 9.965 -7.763
71 HA ILE 8 HA ILE 8 -2.131 11.605 -10.069
72 HB ILE 8 HB ILE 8 -3.338 12.339 -7.374
73 HG12 ILE 8 HG12 ILE 8 -5.401 10.970 -8.327
74 HG13 ILE 8 HG11 ILE 8 -4.126 10.053 -9.206
75 HG21 ILE 8 HG21 ILE 8 -4.071 12.761 -10.351
76 HG22 ILE 8 HG22 ILE 8 -3.609 14.007 -9.129
77 HG23 ILE 8 HG23 ILE 8 -5.197 13.159 -8.998
78 HD11 ILE 8 HD11 ILE 8 -4.924 9.821 -6.391
79 HD12 ILE 8 HD12 ILE 8 -3.189 10.336 -6.476
80 HD13 ILE 8 HD13 ILE 8 -3.730 8.835 -7.321
81 H LEU 9 HN LEU 9 -1.027 11.702 -6.674
82 HA LEU 9 HA LEU 9 -0.033 14.263 -7.148
83 HB2 LEU 9 HB2 LEU 9 0.445 12.114 -5.107
84 HB3 LEU 9 HB1 LEU 9 1.467 13.585 -5.150
85 HG LEU 9 HG LEU 9 -0.416 13.799 -3.509
86 HD11 LEU 9 HD11 LEU 9 0.183 15.667 -5.754
87 HD12 LEU 9 HD12 LEU 9 -0.013 15.999 -3.987
88 HD13 LEU 9 HD13 LEU 9 -1.464 15.925 -5.059
89 HD21 LEU 9 HD21 LEU 9 -1.989 12.360 -5.075
90 HD22 LEU 9 HD22 LEU 9 -2.356 13.934 -5.885
91 HD23 LEU 9 HD23 LEU 9 -2.714 13.718 -4.125
92 H DAS 10 HN DAS 10 0.806 11.001 -7.675
93 HA DAS 10 HA DAS 10 2.579 10.088 -8.496
94 HB2 DAS 10 HB2 DAS 10 4.151 12.655 -8.500
95 HB3 DAS 10 HB1 DAS 10 3.799 11.838 -6.932
96 H PHE 11 HN PHE 11 0.856 12.657 -9.587
97 HA PHE 11 HA PHE 11 2.104 12.545 -12.255
98 HB2 PHE 11 HB2 PHE 11 -0.032 12.086 -13.111
99 HB3 PHE 11 HB1 PHE 11 -0.653 12.078 -11.403
100 HD1 PHE 11 HD1 PHE 11 0.171 14.374 -14.227
101 HD2 PHE 11 HD2 PHE 11 -1.926 13.669 -10.665
102 HE1 PHE 11 HE1 PHE 11 -0.799 16.586 -14.346
103 HE2 PHE 11 HE2 PHE 11 -2.806 15.809 -10.655
104 HZ PHE 11 HZ PHE 11 -2.354 17.361 -12.570
105 H LEU 12 HN LEU 12 0.865 14.319 -9.443
106 HA LEU 12 HA LEU 12 0.592 16.819 -10.616
107 HB2 LEU 12 HB2 LEU 12 0.872 15.602 -7.985
108 HB3 LEU 12 HB1 LEU 12 1.506 17.280 -8.004
109 HG LEU 12 HG LEU 12 -0.583 17.615 -7.356
110 HD11 LEU 12 HD11 LEU 12 -0.123 18.648 -9.720
111 HD12 LEU 12 HD12 LEU 12 -1.797 18.732 -9.041
112 HD13 LEU 12 HD13 LEU 12 -1.385 17.494 -10.285
113 HD21 LEU 12 HD21 LEU 12 -2.601 16.255 -8.123
114 HD22 LEU 12 HD22 LEU 12 -1.328 15.372 -7.188
115 HD23 LEU 12 HD23 LEU 12 -1.418 15.199 -8.977
116 H PHE 13 HN PHE 13 3.434 15.463 -8.882
117 HA PHE 13 HA PHE 13 4.734 17.960 -9.319
118 HB2 PHE 13 HB2 PHE 13 6.292 15.493 -8.468
119 HB3 PHE 13 HB1 PHE 13 6.442 17.207 -7.871
120 HD1 PHE 13 HD1 PHE 13 5.361 14.092 -7.095
121 HD2 PHE 13 HD2 PHE 13 4.169 18.140 -7.084
122 HE1 PHE 13 HE1 PHE 13 3.595 13.572 -5.572
123 HE2 PHE 13 HE2 PHE 13 2.415 17.631 -5.533
124 HZ PHE 13 HZ PHE 13 2.117 15.355 -4.769
125 H LEU 14 HN LEU 14 3.751 15.800 -11.317
126 HA LEU 14 HA LEU 14 6.230 15.636 -12.806
127 HB2 LEU 14 HB2 LEU 14 3.735 13.904 -12.946
128 HB3 LEU 14 HB1 LEU 14 5.184 13.698 -14.004
129 HG LEU 14 HG LEU 14 4.930 13.226 -10.970
130 HD11 LEU 14 HD11 LEU 14 6.213 11.371 -13.070
131 HD12 LEU 14 HD12 LEU 14 4.426 11.423 -12.839
132 HD13 LEU 14 HD13 LEU 14 5.502 10.961 -11.465
133 HD21 LEU 14 HD21 LEU 14 7.535 12.603 -11.288
134 HD22 LEU 14 HD22 LEU 14 7.022 14.286 -10.894
135 HD23 LEU 14 HD23 LEU 14 7.454 13.847 -12.591
136 H ARG 15 HN ARG 15 3.261 17.337 -12.702
137 HA ARG 15 HA ARG 15 2.867 17.180 -15.545
138 HB2 ARG 15 HB2 ARG 15 1.175 19.054 -15.084
139 HB3 ARG 15 HB1 ARG 15 0.816 17.376 -14.548
140 HG2 ARG 15 HG2 ARG 15 0.765 17.951 -12.359
141 HG3 ARG 15 HG1 ARG 15 2.276 18.907 -12.493
142 HD2 ARG 15 HD2 ARG 15 0.958 20.736 -12.183
143 HD3 ARG 15 HD1 ARG 15 0.431 20.475 -13.906
144 HE ARG 15 HE ARG 15 -1.118 18.817 -12.076
145 HH11 ARG 15 HH11 ARG 15 -0.648 22.131 -13.295
146 HH12 ARG 15 HH12 ARG 15 -2.283 22.631 -13.017
147 HH21 ARG 15 HH21 ARG 15 -3.343 19.497 -11.697
148 HH22 ARG 15 HH22 ARG 15 -3.840 21.108 -12.092
149 H LYS 16 HN LYS 16 3.792 19.582 -13.089
150 HA LYS 16 HA LYS 16 5.657 20.771 -14.784
151 HB2 LYS 16 HB2 LYS 16 4.466 22.846 -15.327
152 HB3 LYS 16 HB1 LYS 16 3.609 21.416 -16.016
153 HG2 LYS 16 HG2 LYS 16 1.735 21.852 -14.884
154 HG3 LYS 16 HG1 LYS 16 2.616 21.947 -13.319
155 HD2 LYS 16 HD2 LYS 16 3.234 24.287 -13.762
156 HD3 LYS 16 HD1 LYS 16 2.466 24.220 -15.385
157 HE2 LYS 16 HE2 LYS 16 0.219 23.902 -14.349
158 HE3 LYS 16 HE1 LYS 16 0.967 23.855 -12.698
159 HZ1 LYS 16 HZ1 LYS 16 1.931 26.143 -13.770
160 HZ2 LYS 16 HZ2 LYS 16 0.601 26.012 -12.722
161 HZ3 LYS 16 HZ3 LYS 16 0.357 26.087 -14.401
162 H LYS 17 HN LYS 17 5.326 19.710 -12.170
163 HA LYS 17 HA LYS 17 5.686 22.151 -10.602
164 HB2 LYS 17 HB2 LYS 17 3.998 19.673 -10.012
165 HB3 LYS 17 HB1 LYS 17 4.713 20.627 -8.654
166 HG2 LYS 17 HG2 LYS 17 3.562 22.687 -9.494
167 HG3 LYS 17 HG1 LYS 17 2.854 21.738 -10.850
168 HD2 LYS 17 HD2 LYS 17 1.571 20.350 -9.302
169 HD3 LYS 17 HD1 LYS 17 2.418 21.052 -7.883
170 HE2 LYS 17 HE2 LYS 17 0.147 22.048 -8.110
171 HE3 LYS 17 HE1 LYS 17 1.403 23.315 -8.431
172 HZ1 LYS 17 HZ1 LYS 17 1.042 23.122 -10.725
173 HZ2 LYS 17 HZ2 LYS 17 -0.497 23.206 -10.008
174 HZ3 LYS 17 HZ3 LYS 17 0.100 21.717 -10.570
Start of MODEL 3
1 H1 ALA 1 HT1 ALA 1 -0.884 5.495 3.175
2 H2 ALA 1 HT2 ALA 1 -0.476 5.555 4.823
3 H3 ALA 1 HT3 ALA 1 -1.885 6.324 4.268
4 HA ALA 1 HA ALA 1 -1.466 3.636 5.056
5 HB1 ALA 1 HB1 ALA 1 -3.270 5.094 5.983
6 HB2 ALA 1 HB2 ALA 1 -4.003 3.671 5.151
7 HB3 ALA 1 HB3 ALA 1 -3.973 5.278 4.331
8 H MET 2 HN MET 2 -2.897 5.211 2.107
9 HA MET 2 HA MET 2 -2.567 2.603 0.798
10 HB2 MET 2 HB2 MET 2 -4.835 4.646 0.401
11 HB3 MET 2 HB1 MET 2 -4.545 3.228 -0.667
12 HG2 MET 2 HG2 MET 2 -4.953 1.671 1.212
13 HG3 MET 2 HG1 MET 2 -5.138 3.043 2.347
14 HE1 MET 2 HE1 MET 2 -6.614 2.515 -1.465
15 HE2 MET 2 HE2 MET 2 -7.951 1.445 -0.920
16 HE3 MET 2 HE3 MET 2 -6.247 1.021 -0.534
17 H ARG 3 HN ARG 3 -1.556 2.736 -1.267
18 HA ARG 3 HA ARG 3 -0.696 5.429 -1.891
19 HB2 ARG 3 HB2 ARG 3 0.943 3.441 -1.807
20 HB3 ARG 3 HB1 ARG 3 0.115 2.865 -3.295
21 HG2 ARG 3 HG2 ARG 3 0.605 5.149 -4.336
22 HG3 ARG 3 HG1 ARG 3 1.629 5.503 -2.900
23 HD2 ARG 3 HD2 ARG 3 2.007 3.055 -4.723
24 HD3 ARG 3 HD1 ARG 3 2.942 4.603 -4.885
25 HE ARG 3 HE ARG 3 3.215 2.569 -2.727
26 HH11 ARG 3 HH11 ARG 3 3.876 5.869 -3.908
27 HH12 ARG 3 HH12 ARG 3 5.230 6.136 -2.862
28 HH21 ARG 3 HH21 ARG 3 5.054 2.936 -1.307
29 HH22 ARG 3 HH22 ARG 3 5.909 4.440 -1.359
30 H ILE 4 HN ILE 4 -2.975 5.853 -2.344
31 HA ILE 4 HA ILE 4 -3.486 5.155 -5.138
32 HB ILE 4 HB ILE 4 -5.862 5.656 -4.592
33 HG12 ILE 4 HG12 ILE 4 -4.797 5.546 -1.715
34 HG13 ILE 4 HG11 ILE 4 -5.360 7.018 -2.578
35 HG21 ILE 4 HG21 ILE 4 -6.219 3.396 -3.436
36 HG22 ILE 4 HG22 ILE 4 -4.444 3.338 -3.103
37 HG23 ILE 4 HG23 ILE 4 -5.045 3.312 -4.806
38 HD11 ILE 4 HD11 ILE 4 -7.559 5.335 -2.910
39 HD12 ILE 4 HD12 ILE 4 -7.384 6.561 -1.598
40 HD13 ILE 4 HD13 ILE 4 -6.959 4.836 -1.284
41 H SER 5 HN SER 5 -2.903 7.452 -2.659
42 HA SER 5 HA SER 5 -3.878 9.565 -4.438
43 HB2 SER 5 HB2 SER 5 -3.311 9.690 -1.412
44 HB3 SER 5 HB1 SER 5 -3.826 11.097 -2.427
45 HG SER 5 HG SER 5 -5.675 10.374 -1.714
46 H ARG 6 HN ARG 6 -1.225 7.983 -4.485
47 HA ARG 6 HA ARG 6 0.301 10.414 -4.497
48 HB2 ARG 6 HB2 ARG 6 1.097 9.231 -2.496
49 HB3 ARG 6 HB1 ARG 6 1.175 7.689 -3.415
50 HG2 ARG 6 HG2 ARG 6 3.402 8.997 -2.998
51 HG3 ARG 6 HG1 ARG 6 3.081 8.342 -4.636
52 HD2 ARG 6 HD2 ARG 6 3.946 10.661 -4.846
53 HD3 ARG 6 HD1 ARG 6 2.190 10.640 -5.333
54 HE ARG 6 HE ARG 6 1.668 11.878 -3.362
55 HH11 ARG 6 HH11 ARG 6 5.056 10.763 -3.346
56 HH12 ARG 6 HH12 ARG 6 5.533 11.750 -2.006
57 HH21 ARG 6 HH21 ARG 6 2.321 13.214 -1.540
58 HH22 ARG 6 HH22 ARG 6 3.952 13.164 -0.962
59 H ILE 7 HN ILE 7 -1.287 9.449 -6.388
60 HA ILE 7 HA ILE 7 0.663 8.523 -8.311
61 HB ILE 7 HB ILE 7 -2.033 8.026 -9.207
62 HG12 ILE 7 HG12 ILE 7 -2.434 7.978 -6.690
63 HG13 ILE 7 HG11 ILE 7 -2.910 6.501 -7.599
64 HG21 ILE 7 HG21 ILE 7 -0.152 6.872 -10.202
65 HG22 ILE 7 HG22 ILE 7 -1.072 5.608 -9.301
66 HG23 ILE 7 HG23 ILE 7 0.444 6.290 -8.600
67 HD11 ILE 7 HD11 ILE 7 -0.108 6.480 -6.492
68 HD12 ILE 7 HD12 ILE 7 -1.362 5.182 -6.507
69 HD13 ILE 7 HD13 ILE 7 -1.434 6.494 -5.267
70 H ILE 8 HN ILE 8 -2.236 10.228 -7.388
71 HA ILE 8 HA ILE 8 -2.257 11.875 -9.667
72 HB ILE 8 HB ILE 8 -3.353 12.469 -6.877
73 HG12 ILE 8 HG12 ILE 8 -5.515 11.417 -8.017
74 HG13 ILE 8 HG11 ILE 8 -4.299 10.531 -9.005
75 HG21 ILE 8 HG21 ILE 8 -5.106 13.707 -8.284
76 HG22 ILE 8 HG22 ILE 8 -4.124 13.334 -9.752
77 HG23 ILE 8 HG23 ILE 8 -3.436 14.369 -8.444
78 HD11 ILE 8 HD11 ILE 8 -3.989 9.050 -7.302
79 HD12 ILE 8 HD12 ILE 8 -5.171 9.946 -6.277
80 HD13 ILE 8 HD13 ILE 8 -3.414 10.386 -6.232
81 H LEU 9 HN LEU 9 -1.052 12.034 -6.303
82 HA LEU 9 HA LEU 9 -0.028 14.563 -6.903
83 HB2 LEU 9 HB2 LEU 9 0.360 12.509 -4.766
84 HB3 LEU 9 HB1 LEU 9 1.533 13.862 -4.915
85 HG LEU 9 HG LEU 9 -0.302 14.338 -3.249
86 HD11 LEU 9 HD11 LEU 9 0.432 16.432 -3.839
87 HD12 LEU 9 HD12 LEU 9 -1.110 16.540 -4.772
88 HD13 LEU 9 HD13 LEU 9 0.415 16.051 -5.606
89 HD21 LEU 9 HD21 LEU 9 -2.193 14.518 -5.677
90 HD22 LEU 9 HD22 LEU 9 -2.607 14.631 -3.920
91 HD23 LEU 9 HD23 LEU 9 -2.081 13.054 -4.626
92 H DAS 10 HN DAS 10 0.740 11.279 -7.359
93 HA DAS 10 HA DAS 10 2.501 10.315 -8.164
94 HB2 DAS 10 HB2 DAS 10 4.100 12.865 -8.334
95 HB3 DAS 10 HB1 DAS 10 3.823 12.106 -6.722
96 H PHE 11 HN PHE 11 0.769 12.852 -9.311
97 HA PHE 11 HA PHE 11 1.930 12.605 -12.011
98 HB2 PHE 11 HB2 PHE 11 -0.252 12.204 -12.783
99 HB3 PHE 11 HB1 PHE 11 -0.814 12.270 -11.057
100 HD1 PHE 11 HD1 PHE 11 -0.003 14.447 -13.977
101 HD2 PHE 11 HD2 PHE 11 -2.004 13.933 -10.326
102 HE1 PHE 11 HE1 PHE 11 -0.894 16.691 -14.137
103 HE2 PHE 11 HE2 PHE 11 -2.808 16.104 -10.363
104 HZ PHE 11 HZ PHE 11 -2.360 17.579 -12.338
105 H LEU 12 HN LEU 12 0.850 14.526 -9.234
106 HA LEU 12 HA LEU 12 0.606 16.981 -10.484
107 HB2 LEU 12 HB2 LEU 12 0.960 15.852 -7.828
108 HB3 LEU 12 HB1 LEU 12 1.658 17.502 -7.933
109 HG LEU 12 HG LEU 12 -0.389 17.935 -7.202
110 HD11 LEU 12 HD11 LEU 12 -1.640 19.040 -8.870
111 HD12 LEU 12 HD12 LEU 12 -1.303 17.761 -10.098
112 HD13 LEU 12 HD13 LEU 12 0.005 18.895 -9.600
113 HD21 LEU 12 HD21 LEU 12 -1.332 15.477 -8.682
114 HD22 LEU 12 HD22 LEU 12 -2.491 16.625 -7.914
115 HD23 LEU 12 HD23 LEU 12 -1.248 15.772 -6.910
116 H PHE 13 HN PHE 13 3.478 15.622 -8.803
117 HA PHE 13 HA PHE 13 4.850 18.042 -9.418
118 HB2 PHE 13 HB2 PHE 13 6.374 15.585 -8.503
119 HB3 PHE 13 HB1 PHE 13 6.562 17.315 -7.971
120 HD1 PHE 13 HD1 PHE 13 5.488 14.246 -7.041
121 HD2 PHE 13 HD2 PHE 13 4.312 18.297 -7.159
122 HE1 PHE 13 HE1 PHE 13 3.771 13.800 -5.437
123 HE2 PHE 13 HE2 PHE 13 2.610 17.862 -5.535
124 HZ PHE 13 HZ PHE 13 2.330 15.622 -4.666
125 H LEU 14 HN LEU 14 3.709 15.891 -11.293
126 HA LEU 14 HA LEU 14 6.133 15.542 -12.844
127 HB2 LEU 14 HB2 LEU 14 3.575 13.899 -12.815
128 HB3 LEU 14 HB1 LEU 14 4.965 13.602 -13.932
129 HG LEU 14 HG LEU 14 4.835 13.243 -10.875
130 HD11 LEU 14 HD11 LEU 14 5.941 11.278 -12.979
131 HD12 LEU 14 HD12 LEU 14 4.174 11.397 -12.641
132 HD13 LEU 14 HD13 LEU 14 5.318 10.941 -11.321
133 HD21 LEU 14 HD21 LEU 14 7.296 13.737 -12.623
134 HD22 LEU 14 HD22 LEU 14 7.402 12.502 -11.312
135 HD23 LEU 14 HD23 LEU 14 6.967 14.206 -10.911
136 H ARG 15 HN ARG 15 3.193 17.305 -12.698
137 HA ARG 15 HA ARG 15 2.550 17.036 -15.447
138 HB2 ARG 15 HB2 ARG 15 1.048 18.926 -15.164
139 HB3 ARG 15 HB1 ARG 15 0.786 17.649 -13.916
140 HG2 ARG 15 HG2 ARG 15 2.499 19.170 -12.517
141 HG3 ARG 15 HG1 ARG 15 1.927 20.439 -13.650
142 HD2 ARG 15 HD2 ARG 15 -0.047 18.634 -12.171
143 HD3 ARG 15 HD1 ARG 15 0.600 20.164 -11.420
144 HE ARG 15 HE ARG 15 -0.337 20.709 -14.108
145 HH11 ARG 15 HH11 ARG 15 -1.468 19.900 -10.828
146 HH12 ARG 15 HH12 ARG 15 -3.000 20.690 -10.996
147 HH21 ARG 15 HH21 ARG 15 -2.417 21.783 -14.335
148 HH22 ARG 15 HH22 ARG 15 -3.549 21.777 -13.023
149 H LYS 16 HN LYS 16 4.564 19.077 -13.464
150 HA LYS 16 HA LYS 16 6.073 20.116 -15.426
151 HB2 LYS 16 HB2 LYS 16 5.093 22.231 -16.101
152 HB3 LYS 16 HB1 LYS 16 3.797 21.004 -16.306
153 HG2 LYS 16 HG2 LYS 16 2.523 22.480 -15.187
154 HG3 LYS 16 HG1 LYS 16 3.280 21.741 -13.743
155 HD2 LYS 16 HD2 LYS 16 4.881 23.545 -13.527
156 HD3 LYS 16 HD1 LYS 16 4.506 24.174 -15.167
157 HE2 LYS 16 HE2 LYS 16 2.199 24.820 -14.396
158 HE3 LYS 16 HE1 LYS 16 2.586 24.192 -12.740
159 HZ1 LYS 16 HZ1 LYS 16 3.138 26.692 -13.833
160 HZ2 LYS 16 HZ2 LYS 16 4.630 25.923 -13.578
161 HZ3 LYS 16 HZ3 LYS 16 3.532 26.094 -12.293
162 H LYS 17 HN LYS 17 4.216 20.379 -12.489
163 HA LYS 17 HA LYS 17 5.532 22.397 -11.181
164 HB2 LYS 17 HB2 LYS 17 4.266 19.767 -10.214
165 HB3 LYS 17 HB1 LYS 17 4.843 21.051 -9.076
166 HG2 LYS 17 HG2 LYS 17 2.776 21.537 -11.309
167 HG3 LYS 17 HG1 LYS 17 2.337 21.085 -9.622
168 HD2 LYS 17 HD2 LYS 17 3.591 23.142 -8.807
169 HD3 LYS 17 HD1 LYS 17 3.875 23.603 -10.520
170 HE2 LYS 17 HE2 LYS 17 1.395 23.738 -10.904
171 HE3 LYS 17 HE1 LYS 17 1.107 23.267 -9.177
172 HZ1 LYS 17 HZ1 LYS 17 1.555 25.790 -10.216
173 HZ2 LYS 17 HZ2 LYS 17 2.946 25.407 -9.321
174 HZ3 LYS 17 HZ3 LYS 17 1.418 25.335 -8.586
Start of MODEL 4
1 H1 ALA 1 HT1 ALA 1 -3.317 5.415 5.452
2 H2 ALA 1 HT2 ALA 1 -3.878 4.999 3.903
3 H3 ALA 1 HT3 ALA 1 -2.999 6.435 4.132
4 HA ALA 1 HA ALA 1 -1.065 5.442 3.995
5 HB1 ALA 1 HB1 ALA 1 -2.281 3.103 5.594
6 HB2 ALA 1 HB2 ALA 1 -1.350 4.479 6.296
7 HB3 ALA 1 HB3 ALA 1 -0.527 3.294 5.214
8 H MET 2 HN MET 2 -2.573 5.393 1.768
9 HA MET 2 HA MET 2 -1.968 2.738 0.705
10 HB2 MET 2 HB2 MET 2 -4.532 3.007 1.189
11 HB3 MET 2 HB1 MET 2 -4.491 4.320 -0.048
12 HG2 MET 2 HG2 MET 2 -5.246 2.263 -1.107
13 HG3 MET 2 HG1 MET 2 -3.630 2.699 -1.741
14 HE1 MET 2 HE1 MET 2 -5.031 -0.841 0.805
15 HE2 MET 2 HE2 MET 2 -5.908 0.619 0.230
16 HE3 MET 2 HE3 MET 2 -4.848 0.721 1.678
17 H ARG 3 HN ARG 3 -0.928 2.931 -1.353
18 HA ARG 3 HA ARG 3 -0.615 5.694 -2.141
19 HB2 ARG 3 HB2 ARG 3 1.386 4.079 -2.013
20 HB3 ARG 3 HB1 ARG 3 0.677 3.291 -3.465
21 HG2 ARG 3 HG2 ARG 3 0.728 5.491 -4.666
22 HG3 ARG 3 HG1 ARG 3 1.495 6.242 -3.226
23 HD2 ARG 3 HD2 ARG 3 3.436 4.635 -3.460
24 HD3 ARG 3 HD1 ARG 3 2.666 3.993 -4.978
25 HE ARG 3 HE ARG 3 2.832 6.850 -5.202
26 HH11 ARG 3 HH11 ARG 3 4.905 3.964 -4.988
27 HH12 ARG 3 HH12 ARG 3 6.183 4.617 -5.958
28 HH21 ARG 3 HH21 ARG 3 4.565 7.742 -6.531
29 HH22 ARG 3 HH22 ARG 3 5.984 6.802 -6.850
30 H ILE 4 HN ILE 4 -2.907 5.725 -2.640
31 HA ILE 4 HA ILE 4 -3.212 4.889 -5.428
32 HB ILE 4 HB ILE 4 -5.663 5.022 -4.963
33 HG12 ILE 4 HG12 ILE 4 -4.671 5.038 -2.059
34 HG13 ILE 4 HG11 ILE 4 -5.443 6.411 -2.926
35 HG21 ILE 4 HG21 ILE 4 -4.852 2.799 -5.206
36 HG22 ILE 4 HG22 ILE 4 -5.527 2.732 -3.532
37 HG23 ILE 4 HG23 ILE 4 -3.750 2.941 -3.783
38 HD11 ILE 4 HD11 ILE 4 -6.709 3.821 -1.917
39 HD12 ILE 4 HD12 ILE 4 -7.431 4.660 -3.341
40 HD13 ILE 4 HD13 ILE 4 -7.285 5.523 -1.763
41 H SER 5 HN SER 5 -3.184 7.267 -2.926
42 HA SER 5 HA SER 5 -4.333 9.180 -4.820
43 HB2 SER 5 HB2 SER 5 -4.097 9.408 -1.756
44 HB3 SER 5 HB1 SER 5 -4.751 10.697 -2.844
45 HG SER 5 HG SER 5 -6.077 8.623 -3.523
46 H ARG 6 HN ARG 6 -1.492 8.021 -4.522
47 HA ARG 6 HA ARG 6 -0.308 10.632 -4.339
48 HB2 ARG 6 HB2 ARG 6 0.253 8.612 -2.552
49 HB3 ARG 6 HB1 ARG 6 1.469 8.290 -3.846
50 HG2 ARG 6 HG2 ARG 6 0.990 11.014 -2.528
51 HG3 ARG 6 HG1 ARG 6 2.297 9.870 -2.054
52 HD2 ARG 6 HD2 ARG 6 1.966 10.862 -4.961
53 HD3 ARG 6 HD1 ARG 6 2.958 11.776 -3.731
54 HE ARG 6 HE ARG 6 3.628 9.164 -4.969
55 HH11 ARG 6 HH11 ARG 6 4.164 11.463 -2.296
56 HH12 ARG 6 HH12 ARG 6 5.724 10.843 -1.875
57 HH21 ARG 6 HH21 ARG 6 5.741 8.317 -4.384
58 HH22 ARG 6 HH22 ARG 6 6.635 9.025 -3.082
59 H ILE 7 HN ILE 7 -1.649 9.272 -6.416
60 HA ILE 7 HA ILE 7 0.624 9.002 -8.197
61 HB ILE 7 HB ILE 7 -1.782 8.014 -9.376
62 HG12 ILE 7 HG12 ILE 7 -2.478 7.796 -6.946
63 HG13 ILE 7 HG11 ILE 7 -2.519 6.277 -7.908
64 HG21 ILE 7 HG21 ILE 7 0.392 7.279 -10.149
65 HG22 ILE 7 HG22 ILE 7 -0.356 5.828 -9.382
66 HG23 ILE 7 HG23 ILE 7 0.900 6.770 -8.494
67 HD11 ILE 7 HD11 ILE 7 0.084 6.759 -6.495
68 HD12 ILE 7 HD12 ILE 7 -0.928 5.266 -6.584
69 HD13 ILE 7 HD13 ILE 7 -1.337 6.568 -5.400
70 H ILE 8 HN ILE 8 -1.851 10.757 -6.965
71 HA ILE 8 HA ILE 8 -2.215 12.226 -9.427
72 HB ILE 8 HB ILE 8 -4.143 12.154 -7.095
73 HG12 ILE 8 HG12 ILE 8 -5.398 10.561 -8.926
74 HG13 ILE 8 HG11 ILE 8 -3.682 10.136 -9.267
75 HG21 ILE 8 HG21 ILE 8 -5.708 12.712 -9.229
76 HG22 ILE 8 HG22 ILE 8 -4.138 13.167 -9.996
77 HG23 ILE 8 HG23 ILE 8 -4.685 14.003 -8.493
78 HD11 ILE 8 HD11 ILE 8 -5.247 9.784 -6.638
79 HD12 ILE 8 HD12 ILE 8 -3.439 9.825 -6.652
80 HD13 ILE 8 HD13 ILE 8 -4.326 8.557 -7.585
81 H LEU 9 HN LEU 9 -0.260 12.093 -7.629
82 HA LEU 9 HA LEU 9 -0.000 14.773 -6.861
83 HB2 LEU 9 HB2 LEU 9 -0.204 12.512 -4.934
84 HB3 LEU 9 HB1 LEU 9 1.294 13.493 -4.801
85 HG LEU 9 HG LEU 9 -0.258 14.405 -3.222
86 HD11 LEU 9 HD11 LEU 9 0.584 15.994 -5.552
87 HD12 LEU 9 HD12 LEU 9 0.456 16.473 -3.815
88 HD13 LEU 9 HD13 LEU 9 -0.978 16.622 -4.899
89 HD21 LEU 9 HD21 LEU 9 -2.254 13.376 -4.861
90 HD22 LEU 9 HD22 LEU 9 -2.453 15.154 -5.116
91 HD23 LEU 9 HD23 LEU 9 -2.531 14.466 -3.446
92 H DAS 10 HN DAS 10 0.710 11.432 -7.137
93 HA DAS 10 HA DAS 10 2.459 10.377 -7.864
94 HB2 DAS 10 HB2 DAS 10 4.151 12.879 -8.178
95 HB3 DAS 10 HB1 DAS 10 3.916 12.159 -6.541
96 H PHE 11 HN PHE 11 0.954 13.032 -9.107
97 HA PHE 11 HA PHE 11 2.001 12.563 -11.802
98 HB2 PHE 11 HB2 PHE 11 -0.191 12.175 -12.504
99 HB3 PHE 11 HB1 PHE 11 -0.706 12.305 -10.771
100 HD1 PHE 11 HD1 PHE 11 -0.228 14.159 -13.897
101 HD2 PHE 11 HD2 PHE 11 -1.529 14.177 -9.891
102 HE1 PHE 11 HE1 PHE 11 -1.134 16.376 -14.212
103 HE2 PHE 11 HE2 PHE 11 -2.448 16.339 -10.153
104 HZ PHE 11 HZ PHE 11 -2.321 17.511 -12.347
105 H LEU 12 HN LEU 12 1.020 14.615 -9.079
106 HA LEU 12 HA LEU 12 0.822 17.039 -10.432
107 HB2 LEU 12 HB2 LEU 12 1.222 16.043 -7.701
108 HB3 LEU 12 HB1 LEU 12 1.887 17.691 -7.943
109 HG LEU 12 HG LEU 12 -0.174 18.047 -7.131
110 HD11 LEU 12 HD11 LEU 12 -1.013 17.967 -10.066
111 HD12 LEU 12 HD12 LEU 12 0.245 19.112 -9.477
112 HD13 LEU 12 HD13 LEU 12 -1.428 19.183 -8.802
113 HD21 LEU 12 HD21 LEU 12 -2.223 16.666 -8.246
114 HD22 LEU 12 HD22 LEU 12 -1.260 16.093 -6.827
115 HD23 LEU 12 HD23 LEU 12 -0.869 15.488 -8.478
116 H PHE 13 HN PHE 13 3.615 15.584 -8.724
117 HA PHE 13 HA PHE 13 5.115 17.907 -9.375
118 HB2 PHE 13 HB2 PHE 13 6.522 15.394 -8.430
119 HB3 PHE 13 HB1 PHE 13 6.766 17.115 -7.895
120 HD1 PHE 13 HD1 PHE 13 5.674 14.110 -6.881
121 HD2 PHE 13 HD2 PHE 13 4.449 18.139 -7.172
122 HE1 PHE 13 HE1 PHE 13 3.926 13.706 -5.289
123 HE2 PHE 13 HE2 PHE 13 2.717 17.742 -5.576
124 HZ PHE 13 HZ PHE 13 2.434 15.525 -4.641
125 H LEU 14 HN LEU 14 3.826 15.861 -11.233
126 HA LEU 14 HA LEU 14 6.188 15.378 -12.849
127 HB2 LEU 14 HB2 LEU 14 3.616 13.755 -12.673
128 HB3 LEU 14 HB1 LEU 14 4.977 13.404 -13.810
129 HG LEU 14 HG LEU 14 4.968 13.208 -10.730
130 HD11 LEU 14 HD11 LEU 14 4.096 11.308 -12.359
131 HD12 LEU 14 HD12 LEU 14 5.239 10.869 -11.032
132 HD13 LEU 14 HD13 LEU 14 5.840 11.037 -12.723
133 HD21 LEU 14 HD21 LEU 14 7.316 13.526 -12.639
134 HD22 LEU 14 HD22 LEU 14 7.463 12.257 -11.364
135 HD23 LEU 14 HD23 LEU 14 7.154 13.971 -10.898
136 H ARG 15 HN ARG 15 3.209 17.095 -12.615
137 HA ARG 15 HA ARG 15 2.570 16.793 -15.417
138 HB2 ARG 15 HB2 ARG 15 0.828 18.535 -14.956
139 HB3 ARG 15 HB1 ARG 15 0.663 16.984 -14.054
140 HG2 ARG 15 HG2 ARG 15 0.751 18.055 -12.077
141 HG3 ARG 15 HG1 ARG 15 2.320 18.808 -12.515
142 HD2 ARG 15 HD2 ARG 15 1.188 20.786 -12.444
143 HD3 ARG 15 HD1 ARG 15 0.496 20.277 -14.051
144 HE ARG 15 HE ARG 15 -1.054 19.102 -11.908
145 HH11 ARG 15 HH11 ARG 15 -0.304 22.191 -13.510
146 HH12 ARG 15 HH12 ARG 15 -1.832 22.925 -13.159
147 HH21 ARG 15 HH21 ARG 15 -3.138 20.095 -11.428
148 HH22 ARG 15 HH22 ARG 15 -3.472 21.711 -11.955
149 H LYS 16 HN LYS 16 4.580 18.767 -13.473
150 HA LYS 16 HA LYS 16 5.397 20.386 -15.568
151 HB2 LYS 16 HB2 LYS 16 2.862 21.086 -14.182
152 HB3 LYS 16 HB1 LYS 16 4.086 22.409 -14.092
153 HG2 LYS 16 HG2 LYS 16 4.237 21.839 -16.749
154 HG3 LYS 16 HG1 LYS 16 2.546 21.290 -16.418
155 HD2 LYS 16 HD2 LYS 16 1.926 23.455 -15.517
156 HD3 LYS 16 HD1 LYS 16 3.632 24.005 -15.486
157 HE2 LYS 16 HE2 LYS 16 2.443 25.057 -17.408
158 HE3 LYS 16 HE1 LYS 16 3.681 23.890 -18.037
159 HZ1 LYS 16 HZ1 LYS 16 0.764 23.745 -18.057
160 HZ2 LYS 16 HZ2 LYS 16 1.615 22.288 -17.858
161 HZ3 LYS 16 HZ3 LYS 16 1.904 23.262 -19.218
162 H LYS 17 HN LYS 17 4.230 20.189 -12.297
163 HA LYS 17 HA LYS 17 6.250 21.776 -11.125
164 HB2 LYS 17 HB2 LYS 17 4.105 19.841 -10.104
165 HB3 LYS 17 HB1 LYS 17 5.158 20.820 -8.998
166 HG2 LYS 17 HG2 LYS 17 4.327 22.933 -10.085
167 HG3 LYS 17 HG1 LYS 17 3.269 21.963 -11.172
168 HD2 LYS 17 HD2 LYS 17 2.038 21.079 -9.185
169 HD3 LYS 17 HD1 LYS 17 3.124 21.997 -8.088
170 HE2 LYS 17 HE2 LYS 17 0.976 23.217 -8.380
171 HE3 LYS 17 HE1 LYS 17 2.317 24.160 -9.154
172 HZ1 LYS 17 HZ1 LYS 17 1.572 23.655 -11.217
173 HZ2 LYS 17 HZ2 LYS 17 0.097 23.718 -10.379
174 HZ3 LYS 17 HZ3 LYS 17 0.797 22.217 -10.757
Start of MODEL 5
1 H1 ALA 1 HT1 ALA 1 -4.039 4.742 4.080
2 H2 ALA 1 HT2 ALA 1 -3.083 6.055 4.579
3 H3 ALA 1 HT3 ALA 1 -3.518 4.848 5.693
4 HA ALA 1 HA ALA 1 -1.221 4.980 4.265
5 HB1 ALA 1 HB1 ALA 1 -2.552 2.515 5.556
6 HB2 ALA 1 HB2 ALA 1 -1.604 3.767 6.445
7 HB3 ALA 1 HB3 ALA 1 -0.784 2.703 5.239
8 H MET 2 HN MET 2 -2.893 5.230 2.087
9 HA MET 2 HA MET 2 -2.441 2.656 0.745
10 HB2 MET 2 HB2 MET 2 -4.787 4.611 0.368
11 HB3 MET 2 HB1 MET 2 -4.420 3.252 -0.750
12 HG2 MET 2 HG2 MET 2 -4.654 1.658 1.234
13 HG3 MET 2 HG1 MET 2 -5.220 3.047 2.213
14 HE1 MET 2 HE1 MET 2 -7.223 4.233 2.124
15 HE2 MET 2 HE2 MET 2 -8.578 4.093 0.952
16 HE3 MET 2 HE3 MET 2 -7.019 4.823 0.439
17 H ARG 3 HN ARG 3 -1.378 2.854 -1.272
18 HA ARG 3 HA ARG 3 -0.700 5.605 -1.901
19 HB2 ARG 3 HB2 ARG 3 1.049 3.590 -1.680
20 HB3 ARG 3 HB1 ARG 3 0.489 3.237 -3.349
21 HG2 ARG 3 HG2 ARG 3 0.939 6.033 -3.337
22 HG3 ARG 3 HG1 ARG 3 2.295 5.357 -2.366
23 HD2 ARG 3 HD2 ARG 3 3.023 3.926 -4.198
24 HD3 ARG 3 HD1 ARG 3 1.496 4.245 -5.134
25 HE ARG 3 HE ARG 3 2.848 6.747 -4.576
26 HH11 ARG 3 HH11 ARG 3 3.077 3.760 -6.500
27 HH12 ARG 3 HH12 ARG 3 3.900 4.498 -7.834
28 HH21 ARG 3 HH21 ARG 3 3.956 7.757 -6.392
29 HH22 ARG 3 HH22 ARG 3 4.410 6.810 -7.769
30 H ILE 4 HN ILE 4 -2.985 5.760 -2.492
31 HA ILE 4 HA ILE 4 -3.247 4.943 -5.289
32 HB ILE 4 HB ILE 4 -5.687 5.199 -4.904
33 HG12 ILE 4 HG12 ILE 4 -4.813 5.306 -1.963
34 HG13 ILE 4 HG11 ILE 4 -5.465 6.680 -2.922
35 HG21 ILE 4 HG21 ILE 4 -4.085 3.099 -3.289
36 HG22 ILE 4 HG22 ILE 4 -4.695 2.942 -4.982
37 HG23 ILE 4 HG23 ILE 4 -5.858 2.963 -3.602
38 HD11 ILE 4 HD11 ILE 4 -6.932 4.154 -1.977
39 HD12 ILE 4 HD12 ILE 4 -7.563 5.149 -3.344
40 HD13 ILE 4 HD13 ILE 4 -7.361 5.886 -1.710
41 H SER 5 HN SER 5 -3.071 7.367 -2.859
42 HA SER 5 HA SER 5 -4.144 9.293 -4.777
43 HB2 SER 5 HB2 SER 5 -4.445 10.878 -2.837
44 HB3 SER 5 HB1 SER 5 -5.396 9.358 -2.610
45 HG SER 5 HG SER 5 -3.129 10.300 -1.303
46 H ARG 6 HN ARG 6 -1.325 8.011 -4.465
47 HA ARG 6 HA ARG 6 -0.056 10.589 -4.392
48 HB2 ARG 6 HB2 ARG 6 0.514 8.543 -2.626
49 HB3 ARG 6 HB1 ARG 6 1.691 8.226 -3.958
50 HG2 ARG 6 HG2 ARG 6 1.274 10.905 -2.528
51 HG3 ARG 6 HG1 ARG 6 2.629 9.763 -2.217
52 HD2 ARG 6 HD2 ARG 6 2.111 10.792 -5.070
53 HD3 ARG 6 HD1 ARG 6 3.016 11.826 -3.874
54 HE ARG 6 HE ARG 6 3.960 9.299 -5.107
55 HH11 ARG 6 HH11 ARG 6 4.274 11.661 -2.452
56 HH12 ARG 6 HH12 ARG 6 5.919 11.261 -2.088
57 HH21 ARG 6 HH21 ARG 6 6.194 8.760 -4.608
58 HH22 ARG 6 HH22 ARG 6 7.028 9.584 -3.335
59 H ILE 7 HN ILE 7 -1.505 9.291 -6.421
60 HA ILE 7 HA ILE 7 0.706 8.911 -8.253
61 HB ILE 7 HB ILE 7 -1.716 7.974 -9.399
62 HG12 ILE 7 HG12 ILE 7 -2.442 7.904 -6.949
63 HG13 ILE 7 HG11 ILE 7 -2.605 6.378 -7.882
64 HG21 ILE 7 HG21 ILE 7 0.880 6.640 -8.400
65 HG22 ILE 7 HG22 ILE 7 0.434 7.098 -10.087
66 HG23 ILE 7 HG23 ILE 7 -0.404 5.722 -9.276
67 HD11 ILE 7 HD11 ILE 7 -1.438 6.576 -5.377
68 HD12 ILE 7 HD12 ILE 7 0.017 6.701 -6.439
69 HD13 ILE 7 HD13 ILE 7 -1.071 5.265 -6.563
70 H ILE 8 HN ILE 8 -1.799 10.721 -7.042
71 HA ILE 8 HA ILE 8 -2.133 12.127 -9.547
72 HB ILE 8 HB ILE 8 -3.896 12.295 -7.085
73 HG12 ILE 8 HG12 ILE 8 -5.369 10.743 -8.785
74 HG13 ILE 8 HG11 ILE 8 -3.711 10.190 -9.214
75 HG21 ILE 8 HG21 ILE 8 -4.489 14.115 -8.461
76 HG22 ILE 8 HG22 ILE 8 -5.535 12.850 -9.208
77 HG23 ILE 8 HG23 ILE 8 -3.963 13.288 -9.977
78 HD11 ILE 8 HD11 ILE 8 -5.096 10.064 -6.465
79 HD12 ILE 8 HD12 ILE 8 -3.305 9.897 -6.642
80 HD13 ILE 8 HD13 ILE 8 -4.412 8.714 -7.444
81 H LEU 9 HN LEU 9 -0.433 11.847 -6.992
82 HA LEU 9 HA LEU 9 0.013 14.694 -6.783
83 HB2 LEU 9 HB2 LEU 9 0.211 12.383 -4.839
84 HB3 LEU 9 HB1 LEU 9 1.440 13.685 -4.729
85 HG LEU 9 HG LEU 9 -0.773 13.746 -3.246
86 HD11 LEU 9 HD11 LEU 9 0.869 15.927 -4.508
87 HD12 LEU 9 HD12 LEU 9 0.515 15.588 -2.774
88 HD13 LEU 9 HD13 LEU 9 -0.697 16.454 -3.791
89 HD21 LEU 9 HD21 LEU 9 -2.607 15.079 -4.291
90 HD22 LEU 9 HD22 LEU 9 -2.348 13.514 -5.157
91 HD23 LEU 9 HD23 LEU 9 -1.734 15.050 -5.871
92 H DAS 10 HN DAS 10 0.790 11.417 -7.181
93 HA DAS 10 HA DAS 10 2.569 10.378 -7.871
94 HB2 DAS 10 HB2 DAS 10 4.225 12.900 -8.200
95 HB3 DAS 10 HB1 DAS 10 3.986 12.205 -6.554
96 H PHE 11 HN PHE 11 1.041 13.037 -9.117
97 HA PHE 11 HA PHE 11 2.134 12.565 -11.796
98 HB2 PHE 11 HB2 PHE 11 -0.020 12.076 -12.543
99 HB3 PHE 11 HB1 PHE 11 -0.582 12.241 -10.827
100 HD1 PHE 11 HD1 PHE 11 -0.128 14.033 -14.007
101 HD2 PHE 11 HD2 PHE 11 -1.419 14.099 -10.018
102 HE1 PHE 11 HE1 PHE 11 -1.101 16.225 -14.362
103 HE2 PHE 11 HE2 PHE 11 -2.399 16.212 -10.291
104 HZ PHE 11 HZ PHE 11 -2.313 17.357 -12.512
105 H LEU 12 HN LEU 12 1.065 14.554 -9.128
106 HA LEU 12 HA LEU 12 0.773 16.942 -10.511
107 HB2 LEU 12 HB2 LEU 12 1.574 16.146 -7.754
108 HB3 LEU 12 HB1 LEU 12 1.492 17.888 -8.194
109 HG LEU 12 HG LEU 12 -0.676 15.838 -8.303
110 HD11 LEU 12 HD11 LEU 12 -1.527 16.888 -6.302
111 HD12 LEU 12 HD12 LEU 12 -0.233 18.149 -6.381
112 HD13 LEU 12 HD13 LEU 12 0.204 16.419 -6.096
113 HD21 LEU 12 HD21 LEU 12 -2.193 17.707 -8.845
114 HD22 LEU 12 HD22 LEU 12 -0.851 17.637 -10.053
115 HD23 LEU 12 HD23 LEU 12 -0.817 18.872 -8.741
116 H PHE 13 HN PHE 13 3.652 15.533 -8.895
117 HA PHE 13 HA PHE 13 4.968 18.002 -9.430
118 HB2 PHE 13 HB2 PHE 13 6.560 15.558 -8.589
119 HB3 PHE 13 HB1 PHE 13 6.706 17.275 -8.011
120 HD1 PHE 13 HD1 PHE 13 5.988 14.255 -6.912
121 HD2 PHE 13 HD2 PHE 13 4.186 18.052 -7.351
122 HE1 PHE 13 HE1 PHE 13 4.332 13.682 -5.267
123 HE2 PHE 13 HE2 PHE 13 2.538 17.473 -5.728
124 HZ PHE 13 HZ PHE 13 2.605 15.300 -4.689
125 H LEU 14 HN LEU 14 3.813 15.824 -11.281
126 HA LEU 14 HA LEU 14 6.172 15.489 -12.923
127 HB2 LEU 14 HB2 LEU 14 3.639 13.810 -12.793
128 HB3 LEU 14 HB1 LEU 14 5.054 13.474 -13.866
129 HG LEU 14 HG LEU 14 4.920 13.337 -10.786
130 HD11 LEU 14 HD11 LEU 14 5.313 10.992 -11.039
131 HD12 LEU 14 HD12 LEU 14 5.901 11.159 -12.736
132 HD13 LEU 14 HD13 LEU 14 4.149 11.375 -12.365
133 HD21 LEU 14 HD21 LEU 14 7.086 14.200 -10.932
134 HD22 LEU 14 HD22 LEU 14 7.350 13.616 -12.618
135 HD23 LEU 14 HD23 LEU 14 7.456 12.462 -11.237
136 H ARG 15 HN ARG 15 3.174 17.173 -12.714
137 HA ARG 15 HA ARG 15 2.548 16.822 -15.490
138 HB2 ARG 15 HB2 ARG 15 0.922 18.755 -15.023
139 HB3 ARG 15 HB1 ARG 15 0.599 17.136 -14.304
140 HG2 ARG 15 HG2 ARG 15 0.809 17.891 -12.183
141 HG3 ARG 15 HG1 ARG 15 2.283 18.838 -12.563
142 HD2 ARG 15 HD2 ARG 15 1.024 20.714 -12.370
143 HD3 ARG 15 HD1 ARG 15 0.170 20.200 -13.896
144 HE ARG 15 HE ARG 15 -0.993 18.777 -11.689
145 HH11 ARG 15 HH11 ARG 15 -0.637 22.071 -12.992
146 HH12 ARG 15 HH12 ARG 15 -2.139 22.652 -12.358
147 HH21 ARG 15 HH21 ARG 15 -3.040 19.565 -10.825
148 HH22 ARG 15 HH22 ARG 15 -3.529 21.203 -11.104
149 H LYS 16 HN LYS 16 3.818 19.340 -13.332
150 HA LYS 16 HA LYS 16 5.462 20.382 -15.322
151 HB2 LYS 16 HB2 LYS 16 4.254 22.461 -15.819
152 HB3 LYS 16 HB1 LYS 16 3.299 21.017 -16.326
153 HG2 LYS 16 HG2 LYS 16 1.605 21.457 -14.925
154 HG3 LYS 16 HG1 LYS 16 2.697 21.808 -13.542
155 HD2 LYS 16 HD2 LYS 16 3.126 24.068 -14.395
156 HD3 LYS 16 HD1 LYS 16 2.137 23.743 -15.859
157 HE2 LYS 16 HE2 LYS 16 0.081 23.523 -14.469
158 HE3 LYS 16 HE1 LYS 16 1.058 23.728 -12.956
159 HZ1 LYS 16 HZ1 LYS 16 -0.062 25.683 -14.589
160 HZ2 LYS 16 HZ2 LYS 16 1.625 25.834 -14.725
161 HZ3 LYS 16 HZ3 LYS 16 0.888 25.879 -13.196
162 H LYS 17 HN LYS 17 5.472 19.490 -12.630
163 HA LYS 17 HA LYS 17 6.149 21.996 -11.304
164 HB2 LYS 17 HB2 LYS 17 4.249 19.794 -10.376
165 HB3 LYS 17 HB1 LYS 17 5.227 20.684 -9.146
166 HG2 LYS 17 HG2 LYS 17 3.413 22.071 -11.214
167 HG3 LYS 17 HG1 LYS 17 2.867 21.594 -9.569
168 HD2 LYS 17 HD2 LYS 17 4.706 23.022 -8.582
169 HD3 LYS 17 HD1 LYS 17 5.163 23.540 -10.242
170 HE2 LYS 17 HE2 LYS 17 2.884 24.545 -10.565
171 HE3 LYS 17 HE1 LYS 17 2.421 24.021 -8.892
172 HZ1 LYS 17 HZ1 LYS 17 4.280 26.112 -9.769
173 HZ2 LYS 17 HZ2 LYS 17 4.598 25.308 -8.307
174 HZ3 LYS 17 HZ3 LYS 17 3.121 26.116 -8.528
Start of MODEL 6
1 H1 ALA 1 HT1 ALA 1 -0.635 5.303 3.215
2 H2 ALA 1 HT2 ALA 1 -0.143 5.236 4.839
3 H3 ALA 1 HT3 ALA 1 -1.557 6.076 4.415
4 HA ALA 1 HA ALA 1 -1.174 3.332 4.995
5 HB1 ALA 1 HB1 ALA 1 -3.666 5.079 4.504
6 HB2 ALA 1 HB2 ALA 1 -2.894 4.761 6.104
7 HB3 ALA 1 HB3 ALA 1 -3.704 3.419 5.211
8 H MET 2 HN MET 2 -2.712 5.133 2.236
9 HA MET 2 HA MET 2 -2.508 2.613 0.738
10 HB2 MET 2 HB2 MET 2 -4.737 4.731 0.605
11 HB3 MET 2 HB1 MET 2 -4.531 3.407 -0.593
12 HG2 MET 2 HG2 MET 2 -4.754 1.736 1.329
13 HG3 MET 2 HG1 MET 2 -5.166 3.110 2.402
14 HE1 MET 2 HE1 MET 2 -7.040 4.451 2.469
15 HE2 MET 2 HE2 MET 2 -8.514 4.419 1.441
16 HE3 MET 2 HE3 MET 2 -6.978 5.083 0.787
17 H ARG 3 HN ARG 3 -1.495 2.859 -1.297
18 HA ARG 3 HA ARG 3 -0.773 5.614 -1.859
19 HB2 ARG 3 HB2 ARG 3 1.018 3.749 -1.828
20 HB3 ARG 3 HB1 ARG 3 0.222 3.145 -3.322
21 HG2 ARG 3 HG2 ARG 3 0.563 5.387 -4.391
22 HG3 ARG 3 HG1 ARG 3 1.410 5.946 -2.909
23 HD2 ARG 3 HD2 ARG 3 3.124 4.112 -3.238
24 HD3 ARG 3 HD1 ARG 3 2.294 3.675 -4.797
25 HE ARG 3 HE ARG 3 2.830 6.495 -4.831
26 HH11 ARG 3 HH11 ARG 3 4.513 3.356 -4.811
27 HH12 ARG 3 HH12 ARG 3 5.881 3.911 -5.715
28 HH21 ARG 3 HH21 ARG 3 4.686 7.251 -6.062
29 HH22 ARG 3 HH22 ARG 3 5.982 6.165 -6.438
30 H ILE 4 HN ILE 4 -3.014 5.984 -2.363
31 HA ILE 4 HA ILE 4 -3.504 5.183 -5.134
32 HB ILE 4 HB ILE 4 -5.895 5.635 -4.611
33 HG12 ILE 4 HG12 ILE 4 -4.843 5.637 -1.727
34 HG13 ILE 4 HG11 ILE 4 -5.444 7.068 -2.635
35 HG21 ILE 4 HG21 ILE 4 -6.177 3.404 -3.334
36 HG22 ILE 4 HG22 ILE 4 -4.386 3.394 -3.098
37 HG23 ILE 4 HG23 ILE 4 -5.079 3.308 -4.764
38 HD11 ILE 4 HD11 ILE 4 -7.677 5.717 -2.937
39 HD12 ILE 4 HD12 ILE 4 -7.316 6.400 -1.307
40 HD13 ILE 4 HD13 ILE 4 -7.045 4.646 -1.630
41 H SER 5 HN SER 5 -3.053 7.580 -2.701
42 HA SER 5 HA SER 5 -4.031 9.596 -4.584
43 HB2 SER 5 HB2 SER 5 -4.151 11.182 -2.625
44 HB3 SER 5 HB1 SER 5 -5.212 9.739 -2.382
45 HG SER 5 HG SER 5 -2.790 10.447 -1.173
46 H ARG 6 HN ARG 6 -1.304 8.115 -4.423
47 HA ARG 6 HA ARG 6 0.118 10.613 -4.467
48 HB2 ARG 6 HB2 ARG 6 0.862 9.536 -2.391
49 HB3 ARG 6 HB1 ARG 6 1.036 7.965 -3.243
50 HG2 ARG 6 HG2 ARG 6 3.195 9.358 -2.766
51 HG3 ARG 6 HG1 ARG 6 2.979 8.634 -4.392
52 HD2 ARG 6 HD2 ARG 6 3.779 10.969 -4.652
53 HD3 ARG 6 HD1 ARG 6 2.051 10.875 -5.218
54 HE ARG 6 HE ARG 6 1.400 12.173 -3.328
55 HH11 ARG 6 HH11 ARG 6 4.805 11.137 -3.086
56 HH12 ARG 6 HH12 ARG 6 5.186 12.184 -1.759
57 HH21 ARG 6 HH21 ARG 6 1.923 13.591 -1.525
58 HH22 ARG 6 HH22 ARG 6 3.521 13.600 -0.858
59 H ILE 7 HN ILE 7 -1.357 9.450 -6.390
60 HA ILE 7 HA ILE 7 0.737 8.565 -8.182
61 HB ILE 7 HB ILE 7 -1.906 7.944 -9.178
62 HG12 ILE 7 HG12 ILE 7 -2.409 7.933 -6.690
63 HG13 ILE 7 HG11 ILE 7 -2.753 6.398 -7.561
64 HG21 ILE 7 HG21 ILE 7 0.618 6.325 -8.446
65 HG22 ILE 7 HG22 ILE 7 0.063 6.853 -10.080
66 HG23 ILE 7 HG23 ILE 7 -0.842 5.569 -9.191
67 HD11 ILE 7 HD11 ILE 7 -1.172 5.219 -6.361
68 HD12 ILE 7 HD12 ILE 7 -1.375 6.568 -5.177
69 HD13 ILE 7 HD13 ILE 7 -0.003 6.593 -6.349
70 H ILE 8 HN ILE 8 -2.245 10.214 -7.460
71 HA ILE 8 HA ILE 8 -2.215 11.760 -9.811
72 HB ILE 8 HB ILE 8 -3.467 12.426 -7.104
73 HG12 ILE 8 HG12 ILE 8 -5.533 11.250 -8.297
74 HG13 ILE 8 HG11 ILE 8 -4.242 10.374 -9.193
75 HG21 ILE 8 HG21 ILE 8 -3.535 14.258 -8.756
76 HG22 ILE 8 HG22 ILE 8 -5.188 13.545 -8.645
77 HG23 ILE 8 HG23 ILE 8 -4.127 13.144 -10.047
78 HD11 ILE 8 HD11 ILE 8 -3.940 8.975 -7.420
79 HD12 ILE 8 HD12 ILE 8 -5.224 9.843 -6.498
80 HD13 ILE 8 HD13 ILE 8 -3.497 10.376 -6.370
81 H LEU 9 HN LEU 9 -1.187 12.092 -6.402
82 HA LEU 9 HA LEU 9 -0.209 14.628 -7.054
83 HB2 LEU 9 HB2 LEU 9 0.127 12.670 -4.819
84 HB3 LEU 9 HB1 LEU 9 1.267 14.052 -4.964
85 HG LEU 9 HG LEU 9 -0.672 14.527 -3.412
86 HD11 LEU 9 HD11 LEU 9 0.126 16.182 -5.791
87 HD12 LEU 9 HD12 LEU 9 0.058 16.614 -4.037
88 HD13 LEU 9 HD13 LEU 9 -1.444 16.661 -5.036
89 HD21 LEU 9 HD21 LEU 9 -2.421 14.570 -5.951
90 HD22 LEU 9 HD22 LEU 9 -2.941 14.749 -4.230
91 HD23 LEU 9 HD23 LEU 9 -2.340 13.157 -4.831
92 H DAS 10 HN DAS 10 0.668 11.353 -7.336
93 HA DAS 10 HA DAS 10 2.489 10.405 -8.014
94 HB2 DAS 10 HB2 DAS 10 4.040 12.982 -8.211
95 HB3 DAS 10 HB1 DAS 10 3.690 12.291 -6.582
96 H PHE 11 HN PHE 11 0.758 12.849 -9.348
97 HA PHE 11 HA PHE 11 2.063 12.528 -11.973
98 HB2 PHE 11 HB2 PHE 11 -0.060 12.030 -12.840
99 HB3 PHE 11 HB1 PHE 11 -0.711 12.141 -11.146
100 HD1 PHE 11 HD1 PHE 11 0.174 14.236 -14.104
101 HD2 PHE 11 HD2 PHE 11 -1.993 13.782 -10.542
102 HE1 PHE 11 HE1 PHE 11 -0.790 16.435 -14.396
103 HE2 PHE 11 HE2 PHE 11 -2.872 15.919 -10.704
104 HZ PHE 11 HZ PHE 11 -2.380 17.331 -12.711
105 H LEU 12 HN LEU 12 0.790 14.527 -9.338
106 HA LEU 12 HA LEU 12 0.558 16.926 -10.705
107 HB2 LEU 12 HB2 LEU 12 0.779 15.912 -7.988
108 HB3 LEU 12 HB1 LEU 12 1.440 17.576 -8.121
109 HG LEU 12 HG LEU 12 -0.649 17.997 -7.543
110 HD11 LEU 12 HD11 LEU 12 -0.157 18.788 -10.010
111 HD12 LEU 12 HD12 LEU 12 -1.819 18.989 -9.327
112 HD13 LEU 12 HD13 LEU 12 -1.459 17.625 -10.446
113 HD21 LEU 12 HD21 LEU 12 -1.456 15.431 -8.918
114 HD22 LEU 12 HD22 LEU 12 -2.673 16.581 -8.252
115 HD23 LEU 12 HD23 LEU 12 -1.443 15.819 -7.164
116 H PHE 13 HN PHE 13 3.363 15.695 -8.826
117 HA PHE 13 HA PHE 13 4.697 18.134 -9.445
118 HB2 PHE 13 HB2 PHE 13 6.231 15.735 -8.386
119 HB3 PHE 13 HB1 PHE 13 6.369 17.486 -7.910
120 HD1 PHE 13 HD1 PHE 13 5.311 14.441 -6.902
121 HD2 PHE 13 HD2 PHE 13 4.055 18.455 -7.252
122 HE1 PHE 13 HE1 PHE 13 3.523 14.023 -5.368
123 HE2 PHE 13 HE2 PHE 13 2.282 18.048 -5.697
124 HZ PHE 13 HZ PHE 13 2.005 15.840 -4.749
125 H LEU 14 HN LEU 14 3.715 15.853 -11.292
126 HA LEU 14 HA LEU 14 6.214 15.540 -12.724
127 HB2 LEU 14 HB2 LEU 14 3.703 13.827 -12.766
128 HB3 LEU 14 HB1 LEU 14 5.158 13.531 -13.793
129 HG LEU 14 HG LEU 14 4.873 13.279 -10.735
130 HD11 LEU 14 HD11 LEU 14 6.135 11.274 -12.710
131 HD12 LEU 14 HD12 LEU 14 4.352 11.352 -12.453
132 HD13 LEU 14 HD13 LEU 14 5.449 10.979 -11.068
133 HD21 LEU 14 HD21 LEU 14 7.418 13.750 -12.375
134 HD22 LEU 14 HD22 LEU 14 7.472 12.610 -10.978
135 HD23 LEU 14 HD23 LEU 14 6.976 14.324 -10.722
136 H ARG 15 HN ARG 15 3.237 17.243 -12.789
137 HA ARG 15 HA ARG 15 2.866 16.883 -15.611
138 HB2 ARG 15 HB2 ARG 15 1.222 18.827 -15.312
139 HB3 ARG 15 HB1 ARG 15 0.823 17.215 -14.623
140 HG2 ARG 15 HG2 ARG 15 0.850 17.967 -12.482
141 HG3 ARG 15 HG1 ARG 15 2.338 18.939 -12.744
142 HD2 ARG 15 HD2 ARG 15 0.893 20.707 -12.473
143 HD3 ARG 15 HD1 ARG 15 0.545 20.392 -14.233
144 HE ARG 15 HE ARG 15 -1.159 18.704 -12.651
145 HH11 ARG 15 HH11 ARG 15 -0.564 22.125 -13.435
146 HH12 ARG 15 HH12 ARG 15 -2.210 22.620 -13.232
147 HH21 ARG 15 HH21 ARG 15 -3.405 19.377 -12.373
148 HH22 ARG 15 HH22 ARG 15 -3.853 21.031 -12.617
149 H LYS 16 HN LYS 16 3.963 19.373 -13.341
150 HA LYS 16 HA LYS 16 5.795 20.397 -15.168
151 HB2 LYS 16 HB2 LYS 16 4.677 22.502 -15.752
152 HB3 LYS 16 HB1 LYS 16 3.739 21.081 -16.350
153 HG2 LYS 16 HG2 LYS 16 1.940 21.552 -15.102
154 HG3 LYS 16 HG1 LYS 16 2.914 21.868 -13.624
155 HD2 LYS 16 HD2 LYS 16 3.474 24.125 -14.435
156 HD3 LYS 16 HD1 LYS 16 2.582 23.828 -15.966
157 HE2 LYS 16 HE2 LYS 16 0.429 23.655 -14.725
158 HE3 LYS 16 HE1 LYS 16 1.302 23.827 -13.145
159 HZ1 LYS 16 HZ1 LYS 16 2.117 25.945 -14.699
160 HZ2 LYS 16 HZ2 LYS 16 1.031 25.971 -13.394
161 HZ3 LYS 16 HZ3 LYS 16 0.448 25.815 -14.982
162 H LYS 17 HN LYS 17 5.548 19.474 -12.498
163 HA LYS 17 HA LYS 17 6.201 21.937 -11.096
164 HB2 LYS 17 HB2 LYS 17 4.079 19.867 -10.365
165 HB3 LYS 17 HB1 LYS 17 5.003 20.678 -9.037
166 HG2 LYS 17 HG2 LYS 17 4.347 22.933 -10.127
167 HG3 LYS 17 HG1 LYS 17 3.226 21.997 -11.176
168 HD2 LYS 17 HD2 LYS 17 3.175 21.909 -8.097
169 HD3 LYS 17 HD1 LYS 17 2.186 23.040 -9.082
170 HE2 LYS 17 HE2 LYS 17 1.105 21.054 -10.231
171 HE3 LYS 17 HE1 LYS 17 2.055 19.951 -9.149
172 HZ1 LYS 17 HZ1 LYS 17 -0.044 20.267 -8.203
173 HZ2 LYS 17 HZ2 LYS 17 0.006 21.955 -8.379
174 HZ3 LYS 17 HZ3 LYS 17 1.032 21.187 -7.266
Start of MODEL 7
1 H1 ALA 1 HT1 ALA 1 -1.987 6.389 4.718
2 H2 ALA 1 HT2 ALA 1 -2.392 5.267 5.925
3 H3 ALA 1 HT3 ALA 1 -3.227 5.259 4.446
4 HA ALA 1 HA ALA 1 -0.430 5.019 4.073
5 HB1 ALA 1 HB1 ALA 1 -1.863 2.814 5.682
6 HB2 ALA 1 HB2 ALA 1 -0.558 3.885 6.320
7 HB3 ALA 1 HB3 ALA 1 -0.190 2.697 5.013
8 H MET 2 HN MET 2 -2.421 5.548 2.251
9 HA MET 2 HA MET 2 -2.718 2.928 0.952
10 HB2 MET 2 HB2 MET 2 -4.635 5.331 0.790
11 HB3 MET 2 HB1 MET 2 -4.786 3.814 -0.163
12 HG2 MET 2 HG2 MET 2 -5.096 2.501 1.928
13 HG3 MET 2 HG1 MET 2 -4.913 3.992 2.905
14 HE1 MET 2 HE1 MET 2 -8.611 3.139 3.485
15 HE2 MET 2 HE2 MET 2 -7.036 3.634 4.197
16 HE3 MET 2 HE3 MET 2 -7.178 2.060 3.343
17 H ARG 3 HN ARG 3 -2.022 2.889 -1.233
18 HA ARG 3 HA ARG 3 -0.904 5.432 -2.072
19 HB2 ARG 3 HB2 ARG 3 0.352 3.052 -2.119
20 HB3 ARG 3 HB1 ARG 3 -0.546 2.897 -3.666
21 HG2 ARG 3 HG2 ARG 3 0.534 5.516 -3.735
22 HG3 ARG 3 HG1 ARG 3 1.840 4.508 -3.017
23 HD2 ARG 3 HD2 ARG 3 1.819 2.980 -4.949
24 HD3 ARG 3 HD1 ARG 3 0.348 3.805 -5.633
25 HE ARG 3 HE ARG 3 2.433 5.762 -5.226
26 HH11 ARG 3 HH11 ARG 3 1.570 2.936 -7.214
27 HH12 ARG 3 HH12 ARG 3 2.418 3.475 -8.624
28 HH21 ARG 3 HH21 ARG 3 3.578 6.502 -7.142
29 HH22 ARG 3 HH22 ARG 3 3.583 5.538 -8.581
30 H ILE 4 HN ILE 4 -3.178 6.076 -2.223
31 HA ILE 4 HA ILE 4 -4.155 5.351 -4.882
32 HB ILE 4 HB ILE 4 -6.344 6.155 -4.061
33 HG12 ILE 4 HG12 ILE 4 -4.918 6.116 -1.341
34 HG13 ILE 4 HG11 ILE 4 -5.447 7.580 -2.244
35 HG21 ILE 4 HG21 ILE 4 -6.758 4.037 -2.620
36 HG22 ILE 4 HG22 ILE 4 -4.972 3.766 -2.652
37 HG23 ILE 4 HG23 ILE 4 -5.919 3.732 -4.190
38 HD11 ILE 4 HD11 ILE 4 -7.185 7.233 -0.646
39 HD12 ILE 4 HD12 ILE 4 -7.191 5.446 -0.891
40 HD13 ILE 4 HD13 ILE 4 -7.857 6.534 -2.168
41 H SER 5 HN SER 5 -2.947 7.665 -2.659
42 HA SER 5 HA SER 5 -3.801 9.772 -4.508
43 HB2 SER 5 HB2 SER 5 -3.637 11.396 -2.567
44 HB3 SER 5 HB1 SER 5 -4.915 10.144 -2.315
45 HG SER 5 HG SER 5 -2.331 10.341 -1.192
46 H ARG 6 HN ARG 6 -1.346 8.097 -4.788
47 HA ARG 6 HA ARG 6 0.367 10.365 -4.717
48 HB2 ARG 6 HB2 ARG 6 1.025 9.222 -2.636
49 HB3 ARG 6 HB1 ARG 6 1.102 7.653 -3.514
50 HG2 ARG 6 HG2 ARG 6 3.340 8.922 -3.053
51 HG3 ARG 6 HG1 ARG 6 3.056 8.233 -4.683
52 HD2 ARG 6 HD2 ARG 6 3.983 10.529 -4.920
53 HD3 ARG 6 HD1 ARG 6 2.247 10.532 -5.473
54 HE ARG 6 HE ARG 6 1.681 11.836 -3.559
55 HH11 ARG 6 HH11 ARG 6 5.030 10.624 -3.363
56 HH12 ARG 6 HH12 ARG 6 5.477 11.633 -2.028
57 HH21 ARG 6 HH21 ARG 6 2.294 13.204 -1.746
58 HH22 ARG 6 HH22 ARG 6 3.896 13.122 -1.095
59 H ILE 7 HN ILE 7 -1.176 9.410 -6.667
60 HA ILE 7 HA ILE 7 0.849 8.420 -8.468
61 HB ILE 7 HB ILE 7 -2.045 7.658 -8.866
62 HG12 ILE 7 HG12 ILE 7 -1.062 5.378 -7.718
63 HG13 ILE 7 HG11 ILE 7 -0.122 6.599 -6.790
64 HG21 ILE 7 HG21 ILE 7 -1.001 5.813 -10.171
65 HG22 ILE 7 HG22 ILE 7 0.641 6.298 -9.600
66 HG23 ILE 7 HG23 ILE 7 -0.295 7.392 -10.688
67 HD11 ILE 7 HD11 ILE 7 -2.126 6.176 -5.523
68 HD12 ILE 7 HD12 ILE 7 -3.181 6.351 -6.977
69 HD13 ILE 7 HD13 ILE 7 -2.338 7.792 -6.291
70 H ILE 8 HN ILE 8 -2.201 9.969 -7.735
71 HA ILE 8 HA ILE 8 -2.159 11.592 -10.052
72 HB ILE 8 HB ILE 8 -3.421 12.333 -7.383
73 HG12 ILE 8 HG12 ILE 8 -5.451 10.929 -8.363
74 HG13 ILE 8 HG11 ILE 8 -4.149 10.021 -9.209
75 HG21 ILE 8 HG21 ILE 8 -3.681 13.982 -9.158
76 HG22 ILE 8 HG22 ILE 8 -5.261 13.117 -9.046
77 HG23 ILE 8 HG23 ILE 8 -4.108 12.721 -10.377
78 HD11 ILE 8 HD11 ILE 8 -3.259 10.329 -6.471
79 HD12 ILE 8 HD12 ILE 8 -3.790 8.818 -7.305
80 HD13 ILE 8 HD13 ILE 8 -4.994 9.816 -6.401
81 H LEU 9 HN LEU 9 -1.118 11.729 -6.640
82 HA LEU 9 HA LEU 9 -0.139 14.297 -7.118
83 HB2 LEU 9 HB2 LEU 9 0.311 12.172 -5.048
84 HB3 LEU 9 HB1 LEU 9 1.326 13.649 -5.084
85 HG LEU 9 HG LEU 9 -0.592 13.868 -3.485
86 HD11 LEU 9 HD11 LEU 9 -1.620 15.973 -5.076
87 HD12 LEU 9 HD12 LEU 9 0.041 15.716 -5.737
88 HD13 LEU 9 HD13 LEU 9 -0.190 16.065 -3.979
89 HD21 LEU 9 HD21 LEU 9 -2.874 13.759 -4.144
90 HD22 LEU 9 HD22 LEU 9 -2.122 12.405 -5.076
91 HD23 LEU 9 HD23 LEU 9 -2.487 13.974 -5.898
92 H DAS 10 HN DAS 10 0.738 11.038 -7.599
93 HA DAS 10 HA DAS 10 2.532 10.134 -8.376
94 HB2 DAS 10 HB2 DAS 10 4.061 12.732 -8.347
95 HB3 DAS 10 HB1 DAS 10 3.737 11.856 -6.803
96 H PHE 11 HN PHE 11 0.812 12.676 -9.525
97 HA PHE 11 HA PHE 11 2.107 12.542 -12.171
98 HB2 PHE 11 HB2 PHE 11 -0.016 12.080 -13.063
99 HB3 PHE 11 HB1 PHE 11 -0.665 12.075 -11.365
100 HD1 PHE 11 HD1 PHE 11 0.221 14.378 -14.169
101 HD2 PHE 11 HD2 PHE 11 -1.970 13.658 -10.665
102 HE1 PHE 11 HE1 PHE 11 -0.744 16.593 -14.304
103 HE2 PHE 11 HE2 PHE 11 -2.853 15.801 -10.676
104 HZ PHE 11 HZ PHE 11 -2.347 17.361 -12.569
105 H LEU 12 HN LEU 12 0.803 14.338 -9.398
106 HA LEU 12 HA LEU 12 0.529 16.817 -10.599
107 HB2 LEU 12 HB2 LEU 12 0.790 15.635 -7.949
108 HB3 LEU 12 HB1 LEU 12 1.404 17.321 -7.983
109 HG LEU 12 HG LEU 12 -0.704 17.622 -7.346
110 HD11 LEU 12 HD11 LEU 12 -1.309 17.513 -10.337
111 HD12 LEU 12 HD12 LEU 12 -0.267 18.774 -9.584
112 HD13 LEU 12 HD13 LEU 12 -2.001 18.627 -9.099
113 HD21 LEU 12 HD21 LEU 12 -1.449 15.386 -7.195
114 HD22 LEU 12 HD22 LEU 12 -1.471 15.198 -8.985
115 HD23 LEU 12 HD23 LEU 12 -2.695 16.246 -8.182
116 H PHE 13 HN PHE 13 3.344 15.530 -8.771
117 HA PHE 13 HA PHE 13 4.649 18.017 -9.246
118 HB2 PHE 13 HB2 PHE 13 6.210 15.600 -8.285
119 HB3 PHE 13 HB1 PHE 13 6.302 17.326 -7.714
120 HD1 PHE 13 HD1 PHE 13 5.255 14.194 -6.939
121 HD2 PHE 13 HD2 PHE 13 4.002 18.223 -6.996
122 HE1 PHE 13 HE1 PHE 13 3.463 13.662 -5.452
123 HE2 PHE 13 HE2 PHE 13 2.222 17.702 -5.484
124 HZ PHE 13 HZ PHE 13 1.943 15.430 -4.701
125 H LEU 14 HN LEU 14 3.724 15.870 -11.233
126 HA LEU 14 HA LEU 14 6.251 15.657 -12.636
127 HB2 LEU 14 HB2 LEU 14 3.769 13.908 -12.801
128 HB3 LEU 14 HB1 LEU 14 5.238 13.694 -13.832
129 HG LEU 14 HG LEU 14 4.930 13.259 -10.798
130 HD11 LEU 14 HD11 LEU 14 5.512 10.993 -11.254
131 HD12 LEU 14 HD12 LEU 14 6.271 11.385 -12.842
132 HD13 LEU 14 HD13 LEU 14 4.477 11.434 -12.665
133 HD21 LEU 14 HD21 LEU 14 7.016 14.309 -10.673
134 HD22 LEU 14 HD22 LEU 14 7.473 13.902 -12.370
135 HD23 LEU 14 HD23 LEU 14 7.552 12.638 -11.086
136 H ARG 15 HN ARG 15 3.223 17.243 -12.596
137 HA ARG 15 HA ARG 15 2.727 17.091 -15.383
138 HB2 ARG 15 HB2 ARG 15 1.045 18.750 -15.073
139 HB3 ARG 15 HB1 ARG 15 0.924 17.531 -13.746
140 HG2 ARG 15 HG2 ARG 15 2.459 19.245 -12.432
141 HG3 ARG 15 HG1 ARG 15 1.894 20.406 -13.681
142 HD2 ARG 15 HD2 ARG 15 -0.518 19.442 -13.071
143 HD3 ARG 15 HD1 ARG 15 0.317 18.979 -11.522
144 HE ARG 15 HE ARG 15 1.052 21.666 -12.014
145 HH11 ARG 15 HH11 ARG 15 -1.931 19.776 -11.552
146 HH12 ARG 15 HH12 ARG 15 -2.814 21.065 -10.804
147 HH21 ARG 15 HH21 ARG 15 -0.148 23.418 -11.001
148 HH22 ARG 15 HH22 ARG 15 -1.783 23.171 -10.485
149 H LYS 16 HN LYS 16 4.585 19.091 -13.219
150 HA LYS 16 HA LYS 16 6.066 20.352 -15.069
151 HB2 LYS 16 HB2 LYS 16 4.975 22.450 -15.619
152 HB3 LYS 16 HB1 LYS 16 3.749 21.170 -15.931
153 HG2 LYS 16 HG2 LYS 16 2.376 22.469 -14.725
154 HG3 LYS 16 HG1 LYS 16 3.181 21.707 -13.320
155 HD2 LYS 16 HD2 LYS 16 4.761 23.614 -13.138
156 HD3 LYS 16 HD1 LYS 16 4.064 24.362 -14.615
157 HE2 LYS 16 HE2 LYS 16 1.849 24.618 -13.445
158 HE3 LYS 16 HE1 LYS 16 2.563 23.877 -11.952
159 HZ1 LYS 16 HZ1 LYS 16 2.749 26.532 -12.940
160 HZ2 LYS 16 HZ2 LYS 16 4.297 25.870 -12.714
161 HZ3 LYS 16 HZ3 LYS 16 3.187 25.894 -11.429
162 H LYS 17 HN LYS 17 4.158 20.289 -12.153
163 HA LYS 17 HA LYS 17 5.389 22.314 -10.735
164 HB2 LYS 17 HB2 LYS 17 3.888 19.754 -10.051
165 HB3 LYS 17 HB1 LYS 17 4.682 20.705 -8.728
166 HG2 LYS 17 HG2 LYS 17 3.406 22.726 -9.359
167 HG3 LYS 17 HG1 LYS 17 2.693 21.868 -10.772
168 HD2 LYS 17 HD2 LYS 17 1.029 21.875 -9.026
169 HD3 LYS 17 HD1 LYS 17 1.666 20.200 -9.145
170 HE2 LYS 17 HE2 LYS 17 3.087 20.555 -7.133
171 HE3 LYS 17 HE1 LYS 17 2.566 22.290 -7.045
172 HZ1 LYS 17 HZ1 LYS 17 0.490 20.228 -7.106
173 HZ2 LYS 17 HZ2 LYS 17 0.545 21.718 -6.294
174 HZ3 LYS 17 HZ3 LYS 17 1.408 20.388 -5.687
Start of MODEL 8
1 H1 ALA 1 HT1 ALA 1 -0.567 6.368 4.142
2 H2 ALA 1 HT2 ALA 1 -0.060 5.353 2.877
3 H3 ALA 1 HT3 ALA 1 0.689 5.255 4.399
4 HA ALA 1 HA ALA 1 -0.678 3.644 4.892
5 HB1 ALA 1 HB1 ALA 1 -3.055 4.298 5.495
6 HB2 ALA 1 HB2 ALA 1 -2.800 5.864 4.636
7 HB3 ALA 1 HB3 ALA 1 -1.845 5.482 6.118
8 H MET 2 HN MET 2 -2.266 5.588 2.259
9 HA MET 2 HA MET 2 -2.849 3.008 0.980
10 HB2 MET 2 HB2 MET 2 -4.569 5.560 0.900
11 HB3 MET 2 HB1 MET 2 -4.882 4.065 -0.048
12 HG2 MET 2 HG2 MET 2 -5.214 2.774 2.055
13 HG3 MET 2 HG1 MET 2 -4.868 4.241 3.025
14 HE1 MET 2 HE1 MET 2 -7.225 2.511 3.572
15 HE2 MET 2 HE2 MET 2 -8.602 3.654 3.737
16 HE3 MET 2 HE3 MET 2 -6.993 4.086 4.408
17 H ARG 3 HN ARG 3 -2.271 2.933 -1.243
18 HA ARG 3 HA ARG 3 -0.998 5.390 -2.125
19 HB2 ARG 3 HB2 ARG 3 0.321 3.208 -2.262
20 HB3 ARG 3 HB1 ARG 3 -0.915 2.632 -3.433
21 HG2 ARG 3 HG2 ARG 3 0.821 3.457 -4.815
22 HG3 ARG 3 HG1 ARG 3 -0.397 4.779 -4.789
23 HD2 ARG 3 HD2 ARG 3 1.824 5.792 -4.519
24 HD3 ARG 3 HD1 ARG 3 0.984 5.888 -2.909
25 HE ARG 3 HE ARG 3 2.473 3.422 -3.040
26 HH11 ARG 3 HH11 ARG 3 2.911 6.956 -2.913
27 HH12 ARG 3 HH12 ARG 3 4.414 6.893 -2.056
28 HH21 ARG 3 HH21 ARG 3 4.517 3.337 -1.874
29 HH22 ARG 3 HH22 ARG 3 5.342 4.801 -1.455
30 H ILE 4 HN ILE 4 -3.188 6.230 -2.213
31 HA ILE 4 HA ILE 4 -4.319 5.561 -4.826
32 HB ILE 4 HB ILE 4 -6.433 6.463 -3.919
33 HG12 ILE 4 HG12 ILE 4 -4.921 6.312 -1.252
34 HG13 ILE 4 HG11 ILE 4 -5.388 7.816 -2.122
35 HG21 ILE 4 HG21 ILE 4 -6.927 4.355 -2.514
36 HG22 ILE 4 HG22 ILE 4 -5.156 3.997 -2.554
37 HG23 ILE 4 HG23 ILE 4 -6.109 4.016 -4.087
38 HD11 ILE 4 HD11 ILE 4 -7.226 5.769 -0.754
39 HD12 ILE 4 HD12 ILE 4 -7.852 6.941 -1.975
40 HD13 ILE 4 HD13 ILE 4 -7.085 7.542 -0.456
41 H SER 5 HN SER 5 -2.845 7.761 -2.683
42 HA SER 5 HA SER 5 -3.722 9.944 -4.435
43 HB2 SER 5 HB2 SER 5 -3.439 11.531 -2.478
44 HB3 SER 5 HB1 SER 5 -4.750 10.319 -2.203
45 HG SER 5 HG SER 5 -2.150 10.458 -1.130
46 H ARG 6 HN ARG 6 -1.324 8.187 -4.770
47 HA ARG 6 HA ARG 6 0.429 10.408 -4.827
48 HB2 ARG 6 HB2 ARG 6 0.796 8.601 -2.764
49 HB3 ARG 6 HB1 ARG 6 1.867 7.937 -4.059
50 HG2 ARG 6 HG2 ARG 6 1.815 10.832 -3.071
51 HG3 ARG 6 HG1 ARG 6 3.066 9.608 -2.645
52 HD2 ARG 6 HD2 ARG 6 2.454 10.317 -5.593
53 HD3 ARG 6 HD1 ARG 6 3.620 11.306 -4.598
54 HE ARG 6 HE ARG 6 4.020 8.524 -5.561
55 HH11 ARG 6 HH11 ARG 6 4.976 11.107 -3.294
56 HH12 ARG 6 HH12 ARG 6 6.567 10.482 -3.014
57 HH21 ARG 6 HH21 ARG 6 6.181 7.681 -5.179
58 HH22 ARG 6 HH22 ARG 6 7.262 8.503 -4.106
59 H ILE 7 HN ILE 7 -1.137 9.427 -6.690
60 HA ILE 7 HA ILE 7 0.831 8.349 -8.496
61 HB ILE 7 HB ILE 7 -2.102 7.672 -8.782
62 HG12 ILE 7 HG12 ILE 7 -1.128 5.383 -7.638
63 HG13 ILE 7 HG11 ILE 7 -0.114 6.594 -6.777
64 HG21 ILE 7 HG21 ILE 7 0.527 6.264 -9.630
65 HG22 ILE 7 HG22 ILE 7 -0.487 7.317 -10.689
66 HG23 ILE 7 HG23 ILE 7 -1.144 5.752 -10.077
67 HD11 ILE 7 HD11 ILE 7 -1.987 6.371 -5.361
68 HD12 ILE 7 HD12 ILE 7 -3.160 6.288 -6.733
69 HD13 ILE 7 HD13 ILE 7 -2.370 7.855 -6.307
70 H ILE 8 HN ILE 8 -2.157 9.999 -7.732
71 HA ILE 8 HA ILE 8 -2.105 11.585 -10.074
72 HB ILE 8 HB ILE 8 -3.348 12.386 -7.416
73 HG12 ILE 8 HG12 ILE 8 -5.398 10.989 -8.374
74 HG13 ILE 8 HG11 ILE 8 -4.102 10.043 -9.187
75 HG21 ILE 8 HG21 ILE 8 -5.184 13.164 -9.084
76 HG22 ILE 8 HG22 ILE 8 -4.046 12.724 -10.413
77 HG23 ILE 8 HG23 ILE 8 -3.592 14.003 -9.222
78 HD11 ILE 8 HD11 ILE 8 -3.825 8.875 -7.246
79 HD12 ILE 8 HD12 ILE 8 -4.947 9.975 -6.356
80 HD13 ILE 8 HD13 ILE 8 -3.187 10.382 -6.482
81 H LEU 9 HN LEU 9 -1.057 11.762 -6.661
82 HA LEU 9 HA LEU 9 -0.047 14.308 -7.185
83 HB2 LEU 9 HB2 LEU 9 0.386 12.213 -5.078
84 HB3 LEU 9 HB1 LEU 9 1.414 13.679 -5.142
85 HG LEU 9 HG LEU 9 -0.500 13.940 -3.543
86 HD11 LEU 9 HD11 LEU 9 0.155 15.749 -5.822
87 HD12 LEU 9 HD12 LEU 9 -0.070 16.125 -4.067
88 HD13 LEU 9 HD13 LEU 9 -1.501 16.036 -5.163
89 HD21 LEU 9 HD21 LEU 9 -2.786 13.859 -4.206
90 HD22 LEU 9 HD22 LEU 9 -2.050 12.474 -5.106
91 HD23 LEU 9 HD23 LEU 9 -2.389 14.029 -5.962
92 H DAS 10 HN DAS 10 0.776 11.038 -7.604
93 HA DAS 10 HA DAS 10 2.560 10.082 -8.366
94 HB2 DAS 10 HB2 DAS 10 4.145 12.643 -8.421
95 HB3 DAS 10 HB1 DAS 10 3.781 11.859 -6.840
96 H PHE 11 HN PHE 11 0.869 12.620 -9.566
97 HA PHE 11 HA PHE 11 2.163 12.419 -12.208
98 HB2 PHE 11 HB2 PHE 11 0.035 11.971 -13.093
99 HB3 PHE 11 HB1 PHE 11 -0.612 12.003 -11.394
100 HD1 PHE 11 HD1 PHE 11 0.290 14.247 -14.242
101 HD2 PHE 11 HD2 PHE 11 -1.893 13.610 -10.718
102 HE1 PHE 11 HE1 PHE 11 -0.660 16.467 -14.416
103 HE2 PHE 11 HE2 PHE 11 -2.759 15.759 -10.764
104 HZ PHE 11 HZ PHE 11 -2.254 17.275 -12.687
105 H LEU 12 HN LEU 12 0.900 14.289 -9.469
106 HA LEU 12 HA LEU 12 0.673 16.748 -10.723
107 HB2 LEU 12 HB2 LEU 12 0.893 15.615 -8.052
108 HB3 LEU 12 HB1 LEU 12 1.554 17.281 -8.111
109 HG LEU 12 HG LEU 12 -0.542 17.672 -7.511
110 HD11 LEU 12 HD11 LEU 12 -0.034 18.620 -9.900
111 HD12 LEU 12 HD12 LEU 12 -1.718 18.742 -9.255
112 HD13 LEU 12 HD13 LEU 12 -1.296 17.460 -10.450
113 HD21 LEU 12 HD21 LEU 12 -2.566 16.312 -8.262
114 HD22 LEU 12 HD22 LEU 12 -1.319 15.445 -7.278
115 HD23 LEU 12 HD23 LEU 12 -1.385 15.211 -9.061
116 H PHE 13 HN PHE 13 3.463 15.454 -8.850
117 HA PHE 13 HA PHE 13 4.804 17.910 -9.362
118 HB2 PHE 13 HB2 PHE 13 6.325 15.467 -8.388
119 HB3 PHE 13 HB1 PHE 13 6.463 17.198 -7.841
120 HD1 PHE 13 HD1 PHE 13 5.340 14.106 -7.014
121 HD2 PHE 13 HD2 PHE 13 4.190 18.164 -7.126
122 HE1 PHE 13 HE1 PHE 13 3.536 13.641 -5.521
123 HE2 PHE 13 HE2 PHE 13 2.398 17.710 -5.604
124 HZ PHE 13 HZ PHE 13 2.060 15.456 -4.793
125 H LEU 14 HN LEU 14 3.839 15.733 -11.314
126 HA LEU 14 HA LEU 14 6.344 15.501 -12.748
127 HB2 LEU 14 HB2 LEU 14 3.839 13.779 -12.902
128 HB3 LEU 14 HB1 LEU 14 5.310 13.544 -13.924
129 HG LEU 14 HG LEU 14 4.992 13.142 -10.884
130 HD11 LEU 14 HD11 LEU 14 4.485 11.302 -12.714
131 HD12 LEU 14 HD12 LEU 14 5.539 10.857 -11.317
132 HD13 LEU 14 HD13 LEU 14 6.274 11.219 -12.923
133 HD21 LEU 14 HD21 LEU 14 7.597 12.464 -11.170
134 HD22 LEU 14 HD22 LEU 14 7.100 14.153 -10.784
135 HD23 LEU 14 HD23 LEU 14 7.543 13.707 -12.476
136 H ARG 15 HN ARG 15 3.395 17.225 -12.687
137 HA ARG 15 HA ARG 15 3.051 17.069 -15.546
138 HB2 ARG 15 HB2 ARG 15 1.278 18.812 -15.189
139 HB3 ARG 15 HB1 ARG 15 0.992 17.183 -14.481
140 HG2 ARG 15 HG2 ARG 15 0.955 17.971 -12.357
141 HG3 ARG 15 HG1 ARG 15 2.389 19.021 -12.624
142 HD2 ARG 15 HD2 ARG 15 0.652 20.586 -12.230
143 HD3 ARG 15 HD1 ARG 15 0.729 20.500 -14.048
144 HE ARG 15 HE ARG 15 -1.131 18.517 -13.104
145 HH11 ARG 15 HH11 ARG 15 -0.669 22.039 -13.359
146 HH12 ARG 15 HH12 ARG 15 -2.355 22.407 -13.503
147 HH21 ARG 15 HH21 ARG 15 -3.430 19.018 -13.302
148 HH22 ARG 15 HH22 ARG 15 -3.950 20.660 -13.470
149 H LYS 16 HN LYS 16 4.423 19.134 -13.080
150 HA LYS 16 HA LYS 16 5.964 20.595 -14.746
151 HB2 LYS 16 HB2 LYS 16 4.745 22.678 -15.193
152 HB3 LYS 16 HB1 LYS 16 3.760 21.311 -15.823
153 HG2 LYS 16 HG2 LYS 16 2.068 22.324 -14.725
154 HG3 LYS 16 HG1 LYS 16 2.731 21.446 -13.309
155 HD2 LYS 16 HD2 LYS 16 2.707 23.539 -12.353
156 HD3 LYS 16 HD1 LYS 16 4.285 23.704 -13.199
157 HE2 LYS 16 HE2 LYS 16 3.154 24.844 -15.123
158 HE3 LYS 16 HE1 LYS 16 1.549 24.648 -14.302
159 HZ1 LYS 16 HZ1 LYS 16 2.627 26.825 -14.003
160 HZ2 LYS 16 HZ2 LYS 16 3.873 26.080 -13.122
161 HZ3 LYS 16 HZ3 LYS 16 2.277 26.029 -12.545
162 H LYS 17 HN LYS 17 3.809 20.298 -12.009
163 HA LYS 17 HA LYS 17 4.791 22.327 -10.410
164 HB2 LYS 17 HB2 LYS 17 3.609 19.558 -9.804
165 HB3 LYS 17 HB1 LYS 17 3.966 20.768 -8.510
166 HG2 LYS 17 HG2 LYS 17 2.130 21.313 -10.923
167 HG3 LYS 17 HG1 LYS 17 1.541 20.706 -9.334
168 HD2 LYS 17 HD2 LYS 17 2.531 22.760 -8.231
169 HD3 LYS 17 HD1 LYS 17 3.013 23.368 -9.852
170 HE2 LYS 17 HE2 LYS 17 0.605 23.408 -10.563
171 HE3 LYS 17 HE1 LYS 17 0.116 22.787 -8.931
172 HZ1 LYS 17 HZ1 LYS 17 1.843 25.076 -8.811
173 HZ2 LYS 17 HZ2 LYS 17 0.343 24.784 -8.070
174 HZ3 LYS 17 HZ3 LYS 17 0.404 25.380 -9.658
Start of MODEL 9
1 H1 ALA 1 HT1 ALA 1 -1.026 6.606 4.181
2 H2 ALA 1 HT2 ALA 1 -0.327 5.622 2.986
3 H3 ALA 1 HT3 ALA 1 0.329 5.652 4.553
4 HA ALA 1 HA ALA 1 -0.873 3.903 5.008
5 HB1 ALA 1 HB1 ALA 1 -3.207 5.871 4.581
6 HB2 ALA 1 HB2 ALA 1 -2.303 5.620 6.122
7 HB3 ALA 1 HB3 ALA 1 -3.341 4.300 5.461
8 H MET 2 HN MET 2 -2.496 5.603 2.233
9 HA MET 2 HA MET 2 -2.725 2.947 1.000
10 HB2 MET 2 HB2 MET 2 -4.720 5.285 0.838
11 HB3 MET 2 HB1 MET 2 -4.791 3.814 -0.191
12 HG2 MET 2 HG2 MET 2 -5.126 2.382 1.799
13 HG3 MET 2 HG1 MET 2 -4.954 3.800 2.881
14 HE1 MET 2 HE1 MET 2 -6.768 1.850 0.311
15 HE2 MET 2 HE2 MET 2 -7.001 3.350 -0.649
16 HE3 MET 2 HE3 MET 2 -8.414 2.545 0.114
17 H ARG 3 HN ARG 3 -2.014 2.889 -1.185
18 HA ARG 3 HA ARG 3 -0.903 5.428 -2.033
19 HB2 ARG 3 HB2 ARG 3 0.330 3.035 -2.089
20 HB3 ARG 3 HB1 ARG 3 -0.567 2.899 -3.639
21 HG2 ARG 3 HG2 ARG 3 0.540 5.509 -3.685
22 HG3 ARG 3 HG1 ARG 3 1.835 4.479 -2.978
23 HD2 ARG 3 HD2 ARG 3 1.813 2.980 -4.924
24 HD3 ARG 3 HD1 ARG 3 0.332 3.800 -5.593
25 HE ARG 3 HE ARG 3 2.401 5.772 -5.193
26 HH11 ARG 3 HH11 ARG 3 1.570 2.934 -7.180
27 HH12 ARG 3 HH12 ARG 3 2.412 3.483 -8.590
28 HH21 ARG 3 HH21 ARG 3 3.535 6.525 -7.112
29 HH22 ARG 3 HH22 ARG 3 3.551 5.560 -8.550
30 H ILE 4 HN ILE 4 -3.170 6.093 -2.181
31 HA ILE 4 HA ILE 4 -4.152 5.393 -4.843
32 HB ILE 4 HB ILE 4 -6.329 6.235 -4.027
33 HG12 ILE 4 HG12 ILE 4 -4.909 6.166 -1.304
34 HG13 ILE 4 HG11 ILE 4 -5.413 7.640 -2.206
35 HG21 ILE 4 HG21 ILE 4 -5.867 3.793 -4.157
36 HG22 ILE 4 HG22 ILE 4 -6.822 4.121 -2.663
37 HG23 ILE 4 HG23 ILE 4 -5.041 3.835 -2.552
38 HD11 ILE 4 HD11 ILE 4 -7.286 7.475 -0.865
39 HD12 ILE 4 HD12 ILE 4 -7.084 5.701 -0.605
40 HD13 ILE 4 HD13 ILE 4 -7.825 6.310 -2.133
41 H SER 5 HN SER 5 -2.920 7.684 -2.600
42 HA SER 5 HA SER 5 -3.710 9.802 -4.472
43 HB2 SER 5 HB2 SER 5 -4.745 9.948 -2.068
44 HB3 SER 5 HB1 SER 5 -3.059 10.287 -1.510
45 HG SER 5 HG SER 5 -3.016 12.063 -2.836
46 H ARG 6 HN ARG 6 -1.358 8.191 -4.910
47 HA ARG 6 HA ARG 6 0.436 10.366 -4.729
48 HB2 ARG 6 HB2 ARG 6 1.080 9.168 -2.676
49 HB3 ARG 6 HB1 ARG 6 1.101 7.612 -3.578
50 HG2 ARG 6 HG2 ARG 6 3.380 8.807 -3.116
51 HG3 ARG 6 HG1 ARG 6 3.063 8.148 -4.753
52 HD2 ARG 6 HD2 ARG 6 4.060 10.417 -4.969
53 HD3 ARG 6 HD1 ARG 6 2.321 10.483 -5.507
54 HE ARG 6 HE ARG 6 1.813 11.778 -3.570
55 HH11 ARG 6 HH11 ARG 6 5.127 10.465 -3.427
56 HH12 ARG 6 HH12 ARG 6 5.617 11.441 -2.082
57 HH21 ARG 6 HH21 ARG 6 2.484 13.100 -1.743
58 HH22 ARG 6 HH22 ARG 6 4.091 12.962 -1.110
59 H ILE 7 HN ILE 7 -1.189 9.377 -6.664
60 HA ILE 7 HA ILE 7 0.818 8.418 -8.513
61 HB ILE 7 HB ILE 7 -2.092 7.688 -8.860
62 HG12 ILE 7 HG12 ILE 7 -1.103 5.393 -7.745
63 HG13 ILE 7 HG11 ILE 7 -0.127 6.601 -6.836
64 HG21 ILE 7 HG21 ILE 7 -1.085 5.836 -10.192
65 HG22 ILE 7 HG22 ILE 7 0.571 6.324 -9.666
66 HG23 ILE 7 HG23 ILE 7 -0.398 7.416 -10.726
67 HD11 ILE 7 HD11 ILE 7 -2.347 7.814 -6.304
68 HD12 ILE 7 HD12 ILE 7 -2.082 6.225 -5.499
69 HD13 ILE 7 HD13 ILE 7 -3.188 6.342 -6.921
70 H ILE 8 HN ILE 8 -2.163 10.040 -7.687
71 HA ILE 8 HA ILE 8 -2.156 11.655 -10.011
72 HB ILE 8 HB ILE 8 -3.316 12.405 -7.296
73 HG12 ILE 8 HG12 ILE 8 -5.416 11.089 -8.248
74 HG13 ILE 8 HG11 ILE 8 -4.167 10.156 -9.144
75 HG21 ILE 8 HG21 ILE 8 -3.559 14.094 -9.041
76 HG22 ILE 8 HG22 ILE 8 -5.168 13.294 -8.881
77 HG23 ILE 8 HG23 ILE 8 -4.082 12.869 -10.259
78 HD11 ILE 8 HD11 ILE 8 -3.773 8.912 -7.275
79 HD12 ILE 8 HD12 ILE 8 -4.957 9.898 -6.333
80 HD13 ILE 8 HD13 ILE 8 -3.218 10.397 -6.410
81 H LEU 9 HN LEU 9 -1.002 11.754 -6.636
82 HA LEU 9 HA LEU 9 0.037 14.294 -7.140
83 HB2 LEU 9 HB2 LEU 9 0.505 12.148 -5.094
84 HB3 LEU 9 HB1 LEU 9 1.552 13.601 -5.161
85 HG LEU 9 HG LEU 9 -0.292 13.863 -3.491
86 HD11 LEU 9 HD11 LEU 9 -1.344 15.980 -5.066
87 HD12 LEU 9 HD12 LEU 9 0.300 15.697 -5.757
88 HD13 LEU 9 HD13 LEU 9 0.107 16.055 -3.995
89 HD21 LEU 9 HD21 LEU 9 -2.270 13.973 -5.841
90 HD22 LEU 9 HD22 LEU 9 -2.609 13.825 -4.070
91 HD23 LEU 9 HD23 LEU 9 -1.918 12.423 -4.980
92 H DAS 10 HN DAS 10 0.795 11.012 -7.654
93 HA DAS 10 HA DAS 10 2.531 10.053 -8.497
94 HB2 DAS 10 HB2 DAS 10 4.146 12.597 -8.507
95 HB3 DAS 10 HB1 DAS 10 3.841 11.727 -6.956
96 H PHE 11 HN PHE 11 0.855 12.650 -9.583
97 HA PHE 11 HA PHE 11 2.063 12.483 -12.268
98 HB2 PHE 11 HB2 PHE 11 -0.098 12.088 -13.097
99 HB3 PHE 11 HB1 PHE 11 -0.691 12.091 -11.378
100 HD1 PHE 11 HD1 PHE 11 0.159 14.388 -14.198
101 HD2 PHE 11 HD2 PHE 11 -1.931 13.695 -10.630
102 HE1 PHE 11 HE1 PHE 11 -0.762 16.625 -14.292
103 HE2 PHE 11 HE2 PHE 11 -2.765 15.858 -10.598
104 HZ PHE 11 HZ PHE 11 -2.292 17.413 -12.498
105 H LEU 12 HN LEU 12 0.911 14.310 -9.452
106 HA LEU 12 HA LEU 12 0.688 16.802 -10.643
107 HB2 LEU 12 HB2 LEU 12 0.969 15.603 -8.005
108 HB3 LEU 12 HB1 LEU 12 1.653 17.262 -8.048
109 HG LEU 12 HG LEU 12 -0.418 17.666 -7.375
110 HD11 LEU 12 HD11 LEU 12 -1.618 18.804 -9.055
111 HD12 LEU 12 HD12 LEU 12 -1.267 17.540 -10.291
112 HD13 LEU 12 HD13 LEU 12 0.038 18.660 -9.760
113 HD21 LEU 12 HD21 LEU 12 -1.223 15.446 -7.176
114 HD22 LEU 12 HD22 LEU 12 -1.342 15.259 -8.963
115 HD23 LEU 12 HD23 LEU 12 -2.483 16.354 -8.102
116 H PHE 13 HN PHE 13 3.510 15.417 -8.889
117 HA PHE 13 HA PHE 13 4.878 17.862 -9.386
118 HB2 PHE 13 HB2 PHE 13 6.384 15.373 -8.512
119 HB3 PHE 13 HB1 PHE 13 6.569 17.090 -7.933
120 HD1 PHE 13 HD1 PHE 13 5.418 13.999 -7.138
121 HD2 PHE 13 HD2 PHE 13 4.336 18.078 -7.128
122 HE1 PHE 13 HE1 PHE 13 3.651 13.532 -5.600
123 HE2 PHE 13 HE2 PHE 13 2.583 17.621 -5.562
124 HZ PHE 13 HZ PHE 13 2.230 15.357 -4.788
125 H LEU 14 HN LEU 14 3.816 15.741 -11.352
126 HA LEU 14 HA LEU 14 6.272 15.499 -12.868
127 HB2 LEU 14 HB2 LEU 14 3.734 13.823 -12.974
128 HB3 LEU 14 HB1 LEU 14 5.165 13.584 -14.051
129 HG LEU 14 HG LEU 14 4.942 13.121 -11.012
130 HD11 LEU 14 HD11 LEU 14 5.442 10.839 -11.514
131 HD12 LEU 14 HD12 LEU 14 6.129 11.228 -13.136
132 HD13 LEU 14 HD13 LEU 14 4.350 11.330 -12.864
133 HD21 LEU 14 HD21 LEU 14 7.066 14.105 -10.963
134 HD22 LEU 14 HD22 LEU 14 7.450 13.680 -12.674
135 HD23 LEU 14 HD23 LEU 14 7.525 12.415 -11.392
136 H ARG 15 HN ARG 15 3.360 17.273 -12.683
137 HA ARG 15 HA ARG 15 2.918 17.173 -15.531
138 HB2 ARG 15 HB2 ARG 15 1.198 18.950 -15.083
139 HB3 ARG 15 HB1 ARG 15 0.898 17.315 -14.397
140 HG2 ARG 15 HG2 ARG 15 0.954 18.059 -12.257
141 HG3 ARG 15 HG1 ARG 15 2.399 19.087 -12.555
142 HD2 ARG 15 HD2 ARG 15 0.709 20.677 -12.070
143 HD3 ARG 15 HD1 ARG 15 0.716 20.624 -13.891
144 HE ARG 15 HE ARG 15 -1.145 18.659 -12.919
145 HH11 ARG 15 HH11 ARG 15 -0.624 22.176 -13.106
146 HH12 ARG 15 HH12 ARG 15 -2.306 22.580 -13.174
147 HH21 ARG 15 HH21 ARG 15 -3.440 19.208 -13.013
148 HH22 ARG 15 HH22 ARG 15 -3.933 20.863 -13.120
149 H LYS 16 HN LYS 16 4.424 19.166 -13.084
150 HA LYS 16 HA LYS 16 5.934 20.621 -14.781
151 HB2 LYS 16 HB2 LYS 16 4.746 22.739 -15.146
152 HB3 LYS 16 HB1 LYS 16 3.710 21.404 -15.766
153 HG2 LYS 16 HG2 LYS 16 2.080 22.431 -14.590
154 HG3 LYS 16 HG1 LYS 16 2.774 21.515 -13.214
155 HD2 LYS 16 HD2 LYS 16 2.827 23.592 -12.223
156 HD3 LYS 16 HD1 LYS 16 4.378 23.739 -13.122
157 HE2 LYS 16 HE2 LYS 16 3.200 24.929 -14.988
158 HE3 LYS 16 HE1 LYS 16 1.624 24.761 -14.104
159 HZ1 LYS 16 HZ1 LYS 16 2.747 25.958 -12.241
160 HZ2 LYS 16 HZ2 LYS 16 2.477 26.870 -13.648
161 HZ3 LYS 16 HZ3 LYS 16 4.035 26.294 -13.296
162 H LYS 17 HN LYS 17 3.872 20.323 -11.972
163 HA LYS 17 HA LYS 17 4.958 22.302 -10.378
164 HB2 LYS 17 HB2 LYS 17 3.729 19.552 -9.777
165 HB3 LYS 17 HB1 LYS 17 4.164 20.729 -8.475
166 HG2 LYS 17 HG2 LYS 17 2.257 21.367 -10.808
167 HG3 LYS 17 HG1 LYS 17 1.710 20.746 -9.211
168 HD2 LYS 17 HD2 LYS 17 2.794 22.751 -8.107
169 HD3 LYS 17 HD1 LYS 17 3.235 23.377 -9.733
170 HE2 LYS 17 HE2 LYS 17 0.805 23.495 -10.357
171 HE3 LYS 17 HE1 LYS 17 0.357 22.857 -8.719
172 HZ1 LYS 17 HZ1 LYS 17 0.644 24.838 -7.847
173 HZ2 LYS 17 HZ2 LYS 17 0.719 25.461 -9.425
174 HZ3 LYS 17 HZ3 LYS 17 2.149 25.085 -8.591
Start of MODEL 10
1 H1 ALA 1 HT1 ALA 1 -0.690 5.546 2.995
2 H2 ALA 1 HT2 ALA 1 -0.186 5.617 4.615
3 H3 ALA 1 HT3 ALA 1 -1.631 6.374 4.142
4 HA ALA 1 HA ALA 1 -1.151 3.697 4.924
5 HB1 ALA 1 HB1 ALA 1 -2.920 5.143 5.927
6 HB2 ALA 1 HB2 ALA 1 -3.683 3.710 5.140
7 HB3 ALA 1 HB3 ALA 1 -3.704 5.313 4.311
8 H MET 2 HN MET 2 -2.763 5.224 2.043
9 HA MET 2 HA MET 2 -2.469 2.605 0.741
10 HB2 MET 2 HB2 MET 2 -4.765 4.633 0.433
11 HB3 MET 2 HB1 MET 2 -4.518 3.206 -0.632
12 HG2 MET 2 HG2 MET 2 -4.832 1.665 1.276
13 HG3 MET 2 HG1 MET 2 -4.967 3.047 2.408
14 HE1 MET 2 HE1 MET 2 -7.926 1.416 -0.711
15 HE2 MET 2 HE2 MET 2 -6.202 1.007 -0.409
16 HE3 MET 2 HE3 MET 2 -6.625 2.493 -1.327
17 H ARG 3 HN ARG 3 -1.471 2.732 -1.319
18 HA ARG 3 HA ARG 3 -0.728 5.428 -2.031
19 HB2 ARG 3 HB2 ARG 3 0.993 3.565 -2.044
20 HB3 ARG 3 HB1 ARG 3 0.051 2.811 -3.376
21 HG2 ARG 3 HG2 ARG 3 0.430 4.718 -4.833
22 HG3 ARG 3 HG1 ARG 3 1.154 5.670 -3.492
23 HD2 ARG 3 HD2 ARG 3 2.977 4.821 -4.886
24 HD3 ARG 3 HD1 ARG 3 2.978 3.858 -3.339
25 HE ARG 3 HE ARG 3 1.314 2.520 -5.274
26 HH11 ARG 3 HH11 ARG 3 4.704 3.374 -4.595
27 HH12 ARG 3 HH12 ARG 3 5.375 1.994 -5.397
28 HH21 ARG 3 HH21 ARG 3 2.225 0.642 -6.367
29 HH22 ARG 3 HH22 ARG 3 3.941 0.414 -6.423
30 H ILE 4 HN ILE 4 -2.963 5.913 -2.419
31 HA ILE 4 HA ILE 4 -3.617 5.172 -5.171
32 HB ILE 4 HB ILE 4 -5.967 5.685 -4.527
33 HG12 ILE 4 HG12 ILE 4 -4.783 5.576 -1.697
34 HG13 ILE 4 HG11 ILE 4 -5.386 7.047 -2.537
35 HG21 ILE 4 HG21 ILE 4 -4.506 3.359 -3.097
36 HG22 ILE 4 HG22 ILE 4 -5.173 3.338 -4.774
37 HG23 ILE 4 HG23 ILE 4 -6.291 3.428 -3.360
38 HD11 ILE 4 HD11 ILE 4 -7.613 5.438 -2.784
39 HD12 ILE 4 HD12 ILE 4 -7.335 6.561 -1.399
40 HD13 ILE 4 HD13 ILE 4 -6.936 4.809 -1.234
41 H SER 5 HN SER 5 -2.975 7.487 -2.699
42 HA SER 5 HA SER 5 -3.973 9.583 -4.485
43 HB2 SER 5 HB2 SER 5 -4.001 11.113 -2.479
44 HB3 SER 5 HB1 SER 5 -5.088 9.688 -2.247
45 HG SER 5 HG SER 5 -2.619 10.306 -1.086
46 H ARG 6 HN ARG 6 -1.269 8.029 -4.415
47 HA ARG 6 HA ARG 6 0.202 10.499 -4.446
48 HB2 ARG 6 HB2 ARG 6 0.981 9.358 -2.417
49 HB3 ARG 6 HB1 ARG 6 1.098 7.804 -3.310
50 HG2 ARG 6 HG2 ARG 6 3.298 9.146 -2.864
51 HG3 ARG 6 HG1 ARG 6 3.021 8.461 -4.499
52 HD2 ARG 6 HD2 ARG 6 3.860 10.786 -4.733
53 HD3 ARG 6 HD1 ARG 6 2.113 10.739 -5.248
54 HE ARG 6 HE ARG 6 1.546 12.003 -3.307
55 HH11 ARG 6 HH11 ARG 6 4.941 10.912 -3.209
56 HH12 ARG 6 HH12 ARG 6 5.384 11.921 -1.873
57 HH21 ARG 6 HH21 ARG 6 2.154 13.370 -1.492
58 HH22 ARG 6 HH22 ARG 6 3.774 13.339 -0.881
59 H ILE 7 HN ILE 7 -1.340 9.445 -6.356
60 HA ILE 7 HA ILE 7 0.675 8.543 -8.224
61 HB ILE 7 HB ILE 7 -1.999 7.989 -9.161
62 HG12 ILE 7 HG12 ILE 7 -2.442 7.953 -6.656
63 HG13 ILE 7 HG11 ILE 7 -2.854 6.448 -7.548
64 HG21 ILE 7 HG21 ILE 7 0.504 6.308 -8.508
65 HG22 ILE 7 HG22 ILE 7 -0.078 6.868 -10.121
66 HG23 ILE 7 HG23 ILE 7 -0.988 5.592 -9.227
67 HD11 ILE 7 HD11 ILE 7 -1.407 6.533 -5.195
68 HD12 ILE 7 HD12 ILE 7 -0.068 6.525 -6.406
69 HD13 ILE 7 HD13 ILE 7 -1.291 5.197 -6.403
70 H ILE 8 HN ILE 8 -2.258 10.229 -7.386
71 HA ILE 8 HA ILE 8 -2.255 11.828 -9.701
72 HB ILE 8 HB ILE 8 -3.431 12.460 -6.953
73 HG12 ILE 8 HG12 ILE 8 -5.545 11.344 -8.116
74 HG13 ILE 8 HG11 ILE 8 -4.295 10.463 -9.062
75 HG21 ILE 8 HG21 ILE 8 -5.169 13.635 -8.434
76 HG22 ILE 8 HG22 ILE 8 -4.142 13.247 -9.865
77 HG23 ILE 8 HG23 ILE 8 -3.507 14.324 -8.563
78 HD11 ILE 8 HD11 ILE 8 -3.475 10.392 -6.262
79 HD12 ILE 8 HD12 ILE 8 -3.977 9.022 -7.326
80 HD13 ILE 8 HD13 ILE 8 -5.216 9.899 -6.350
81 H LEU 9 HN LEU 9 -1.144 12.067 -6.310
82 HA LEU 9 HA LEU 9 -0.134 14.597 -6.931
83 HB2 LEU 9 HB2 LEU 9 0.218 12.586 -4.746
84 HB3 LEU 9 HB1 LEU 9 1.378 13.951 -4.888
85 HG LEU 9 HG LEU 9 -0.510 14.433 -3.282
86 HD11 LEU 9 HD11 LEU 9 -1.298 16.600 -4.861
87 HD12 LEU 9 HD12 LEU 9 0.253 16.115 -5.650
88 HD13 LEU 9 HD13 LEU 9 0.221 16.523 -3.889
89 HD21 LEU 9 HD21 LEU 9 -2.331 14.549 -5.768
90 HD22 LEU 9 HD22 LEU 9 -2.797 14.689 -4.026
91 HD23 LEU 9 HD23 LEU 9 -2.234 13.107 -4.687
92 H DAS 10 HN DAS 10 0.680 11.314 -7.306
93 HA DAS 10 HA DAS 10 2.476 10.353 -8.040
94 HB2 DAS 10 HB2 DAS 10 4.076 12.895 -8.252
95 HB3 DAS 10 HB1 DAS 10 3.713 12.244 -6.612
96 H PHE 11 HN PHE 11 0.748 12.852 -9.281
97 HA PHE 11 HA PHE 11 1.983 12.566 -11.945
98 HB2 PHE 11 HB2 PHE 11 -0.172 12.123 -12.768
99 HB3 PHE 11 HB1 PHE 11 -0.782 12.216 -11.059
100 HD1 PHE 11 HD1 PHE 11 0.081 14.344 -13.999
101 HD2 PHE 11 HD2 PHE 11 -2.010 13.877 -10.393
102 HE1 PHE 11 HE1 PHE 11 -0.832 16.573 -14.228
103 HE2 PHE 11 HE2 PHE 11 -2.839 16.037 -10.495
104 HZ PHE 11 HZ PHE 11 -2.357 17.478 -12.487
105 H LEU 12 HN LEU 12 0.807 14.527 -9.236
106 HA LEU 12 HA LEU 12 0.569 16.954 -10.541
107 HB2 LEU 12 HB2 LEU 12 0.862 15.881 -7.853
108 HB3 LEU 12 HB1 LEU 12 1.542 17.538 -7.971
109 HG LEU 12 HG LEU 12 -0.528 17.960 -7.307
110 HD11 LEU 12 HD11 LEU 12 -1.365 17.714 -10.220
111 HD12 LEU 12 HD12 LEU 12 -0.081 18.871 -9.716
112 HD13 LEU 12 HD13 LEU 12 -1.747 19.014 -9.031
113 HD21 LEU 12 HD21 LEU 12 -2.594 16.608 -8.041
114 HD22 LEU 12 HD22 LEU 12 -1.366 15.792 -6.993
115 HD23 LEU 12 HD23 LEU 12 -1.405 15.462 -8.762
116 H PHE 13 HN PHE 13 3.407 15.659 -8.755
117 HA PHE 13 HA PHE 13 4.771 18.081 -9.380
118 HB2 PHE 13 HB2 PHE 13 6.294 15.660 -8.371
119 HB3 PHE 13 HB1 PHE 13 6.448 17.403 -7.871
120 HD1 PHE 13 HD1 PHE 13 5.386 14.342 -6.902
121 HD2 PHE 13 HD2 PHE 13 4.162 18.374 -7.146
122 HE1 PHE 13 HE1 PHE 13 3.629 13.911 -5.337
123 HE2 PHE 13 HE2 PHE 13 2.420 17.953 -5.562
124 HZ PHE 13 HZ PHE 13 2.144 15.729 -4.650
125 H LEU 14 HN LEU 14 3.703 15.895 -11.247
126 HA LEU 14 HA LEU 14 6.172 15.538 -12.722
127 HB2 LEU 14 HB2 LEU 14 3.635 13.862 -12.733
128 HB3 LEU 14 HB1 LEU 14 5.063 13.561 -13.799
129 HG LEU 14 HG LEU 14 4.844 13.263 -10.740
130 HD11 LEU 14 HD11 LEU 14 5.360 10.959 -11.120
131 HD12 LEU 14 HD12 LEU 14 6.039 11.266 -12.763
132 HD13 LEU 14 HD13 LEU 14 4.259 11.374 -12.490
133 HD21 LEU 14 HD21 LEU 14 7.345 13.772 -12.420
134 HD22 LEU 14 HD22 LEU 14 7.437 12.538 -11.107
135 HD23 LEU 14 HD23 LEU 14 6.968 14.234 -10.717
136 H ARG 15 HN ARG 15 3.212 17.269 -12.691
137 HA ARG 15 HA ARG 15 2.646 16.933 -15.452
138 HB2 ARG 15 HB2 ARG 15 1.108 18.804 -15.247
139 HB3 ARG 15 HB1 ARG 15 0.832 17.547 -13.981
140 HG2 ARG 15 HG2 ARG 15 2.488 19.126 -12.571
141 HG3 ARG 15 HG1 ARG 15 1.919 20.360 -13.742
142 HD2 ARG 15 HD2 ARG 15 -0.052 18.549 -12.270
143 HD3 ARG 15 HD1 ARG 15 0.547 20.108 -11.541
144 HE ARG 15 HE ARG 15 -0.339 20.572 -14.260
145 HH11 ARG 15 HH11 ARG 15 -1.530 19.819 -10.990
146 HH12 ARG 15 HH12 ARG 15 -3.075 20.568 -11.215
147 HH21 ARG 15 HH21 ARG 15 -2.436 21.591 -14.564
148 HH22 ARG 15 HH22 ARG 15 -3.598 21.592 -13.281
149 H LYS 16 HN LYS 16 4.605 19.009 -13.463
150 HA LYS 16 HA LYS 16 6.124 20.047 -15.420
151 HB2 LYS 16 HB2 LYS 16 5.141 22.178 -16.075
152 HB3 LYS 16 HB1 LYS 16 3.873 20.929 -16.334
153 HG2 LYS 16 HG2 LYS 16 2.530 22.322 -15.198
154 HG3 LYS 16 HG1 LYS 16 3.315 21.626 -13.749
155 HD2 LYS 16 HD2 LYS 16 3.673 23.853 -13.252
156 HD3 LYS 16 HD1 LYS 16 5.128 23.589 -14.275
157 HE2 LYS 16 HE2 LYS 16 3.931 24.520 -16.263
158 HE3 LYS 16 HE1 LYS 16 2.429 24.737 -15.269
159 HZ1 LYS 16 HZ1 LYS 16 4.869 25.901 -14.196
160 HZ2 LYS 16 HZ2 LYS 16 3.282 26.504 -14.250
161 HZ3 LYS 16 HZ3 LYS 16 4.274 26.600 -15.624
162 H LYS 17 HN LYS 17 4.260 20.302 -12.482
163 HA LYS 17 HA LYS 17 5.619 22.334 -11.207
164 HB2 LYS 17 HB2 LYS 17 4.195 19.803 -10.217
165 HB3 LYS 17 HB1 LYS 17 4.864 21.045 -9.080
166 HG2 LYS 17 HG2 LYS 17 3.433 22.797 -10.179
167 HG3 LYS 17 HG1 LYS 17 2.756 21.543 -11.276
168 HD2 LYS 17 HD2 LYS 17 1.860 20.298 -9.303
169 HD3 LYS 17 HD1 LYS 17 2.553 21.536 -8.200
170 HE2 LYS 17 HE2 LYS 17 1.082 23.293 -9.235
171 HE3 LYS 17 HE1 LYS 17 0.386 22.046 -10.352
172 HZ1 LYS 17 HZ1 LYS 17 -0.131 20.807 -8.195
173 HZ2 LYS 17 HZ2 LYS 17 -1.082 22.150 -8.615
174 HZ3 LYS 17 HZ3 LYS 17 0.117 22.298 -7.422
Start of MODEL 11
1 H1 ALA 1 HT1 ALA 1 -2.530 5.357 5.909
2 H2 ALA 1 HT2 ALA 1 -3.319 5.311 4.406
3 H3 ALA 1 HT3 ALA 1 -2.097 6.458 4.690
4 HA ALA 1 HA ALA 1 -0.509 5.087 4.127
5 HB1 ALA 1 HB1 ALA 1 -0.711 3.992 6.392
6 HB2 ALA 1 HB2 ALA 1 -0.283 2.787 5.118
7 HB3 ALA 1 HB3 ALA 1 -1.980 2.897 5.723
8 H MET 2 HN MET 2 -2.458 5.569 2.238
9 HA MET 2 HA MET 2 -2.663 2.929 0.962
10 HB2 MET 2 HB2 MET 2 -4.649 5.271 0.748
11 HB3 MET 2 HB1 MET 2 -4.731 3.751 -0.208
12 HG2 MET 2 HG2 MET 2 -5.045 2.430 1.879
13 HG3 MET 2 HG1 MET 2 -4.932 3.927 2.858
14 HE1 MET 2 HE1 MET 2 -7.131 1.919 3.244
15 HE2 MET 2 HE2 MET 2 -8.612 2.932 3.344
16 HE3 MET 2 HE3 MET 2 -7.083 3.498 4.102
17 H ARG 3 HN ARG 3 -1.951 2.896 -1.223
18 HA ARG 3 HA ARG 3 -0.844 5.443 -2.050
19 HB2 ARG 3 HB2 ARG 3 0.431 3.091 -2.083
20 HB3 ARG 3 HB1 ARG 3 -0.494 2.877 -3.607
21 HG2 ARG 3 HG2 ARG 3 0.551 5.497 -3.799
22 HG3 ARG 3 HG1 ARG 3 1.881 4.546 -3.048
23 HD2 ARG 3 HD2 ARG 3 0.367 3.539 -5.535
24 HD3 ARG 3 HD1 ARG 3 1.838 4.607 -5.652
25 HE ARG 3 HE ARG 3 2.496 2.458 -3.893
26 HH11 ARG 3 HH11 ARG 3 1.521 3.008 -7.274
27 HH12 ARG 3 HH12 ARG 3 2.376 1.642 -7.907
28 HH21 ARG 3 HH21 ARG 3 3.662 0.599 -4.752
29 HH22 ARG 3 HH22 ARG 3 3.614 0.248 -6.447
30 H ILE 4 HN ILE 4 -3.130 6.070 -2.202
31 HA ILE 4 HA ILE 4 -4.098 5.348 -4.862
32 HB ILE 4 HB ILE 4 -6.292 6.147 -4.044
33 HG12 ILE 4 HG12 ILE 4 -4.866 6.110 -1.324
34 HG13 ILE 4 HG11 ILE 4 -5.397 7.572 -2.227
35 HG21 ILE 4 HG21 ILE 4 -5.876 3.727 -4.172
36 HG22 ILE 4 HG22 ILE 4 -6.691 4.028 -2.590
37 HG23 ILE 4 HG23 ILE 4 -4.905 3.759 -2.650
38 HD11 ILE 4 HD11 ILE 4 -7.135 5.441 -0.865
39 HD12 ILE 4 HD12 ILE 4 -7.805 6.512 -2.154
40 HD13 ILE 4 HD13 ILE 4 -7.141 7.231 -0.638
41 H SER 5 HN SER 5 -2.897 7.664 -2.637
42 HA SER 5 HA SER 5 -3.754 9.772 -4.488
43 HB2 SER 5 HB2 SER 5 -3.191 10.009 -1.467
44 HB3 SER 5 HB1 SER 5 -3.526 11.408 -2.565
45 HG SER 5 HG SER 5 -5.423 9.679 -3.009
46 H ARG 6 HN ARG 6 -1.370 8.105 -4.869
47 HA ARG 6 HA ARG 6 0.389 10.316 -4.845
48 HB2 ARG 6 HB2 ARG 6 0.752 8.442 -2.838
49 HB3 ARG 6 HB1 ARG 6 1.832 7.826 -4.149
50 HG2 ARG 6 HG2 ARG 6 1.759 10.683 -3.053
51 HG3 ARG 6 HG1 ARG 6 3.021 9.454 -2.681
52 HD2 ARG 6 HD2 ARG 6 2.404 10.253 -5.603
53 HD3 ARG 6 HD1 ARG 6 3.530 11.250 -4.573
54 HE ARG 6 HE ARG 6 4.031 8.514 -5.612
55 HH11 ARG 6 HH11 ARG 6 4.882 11.060 -3.261
56 HH12 ARG 6 HH12 ARG 6 6.489 10.479 -2.986
57 HH21 ARG 6 HH21 ARG 6 6.215 7.730 -5.233
58 HH22 ARG 6 HH22 ARG 6 7.258 8.555 -4.126
59 H ILE 7 HN ILE 7 -1.180 9.364 -6.741
60 HA ILE 7 HA ILE 7 0.807 8.368 -8.572
61 HB ILE 7 HB ILE 7 -2.109 7.650 -8.901
62 HG12 ILE 7 HG12 ILE 7 -1.110 5.348 -7.798
63 HG13 ILE 7 HG11 ILE 7 -0.143 6.560 -6.886
64 HG21 ILE 7 HG21 ILE 7 -0.459 7.364 -10.791
65 HG22 ILE 7 HG22 ILE 7 -1.111 5.777 -10.229
66 HG23 ILE 7 HG23 ILE 7 0.549 6.295 -9.742
67 HD11 ILE 7 HD11 ILE 7 -2.356 7.758 -6.341
68 HD12 ILE 7 HD12 ILE 7 -2.103 6.155 -5.560
69 HD13 ILE 7 HD13 ILE 7 -3.204 6.301 -6.985
70 H ILE 8 HN ILE 8 -2.207 9.946 -7.762
71 HA ILE 8 HA ILE 8 -2.177 11.603 -10.057
72 HB ILE 8 HB ILE 8 -3.438 12.310 -7.382
73 HG12 ILE 8 HG12 ILE 8 -5.464 10.905 -8.361
74 HG13 ILE 8 HG11 ILE 8 -4.164 10.006 -9.219
75 HG21 ILE 8 HG21 ILE 8 -4.131 12.713 -10.371
76 HG22 ILE 8 HG22 ILE 8 -3.712 13.968 -9.143
77 HG23 ILE 8 HG23 ILE 8 -5.286 13.094 -9.038
78 HD11 ILE 8 HD11 ILE 8 -3.254 10.294 -6.490
79 HD12 ILE 8 HD12 ILE 8 -3.804 8.790 -7.324
80 HD13 ILE 8 HD13 ILE 8 -4.991 9.791 -6.403
81 H LEU 9 HN LEU 9 -1.148 11.700 -6.633
82 HA LEU 9 HA LEU 9 -0.167 14.272 -7.086
83 HB2 LEU 9 HB2 LEU 9 0.286 12.128 -5.034
84 HB3 LEU 9 HB1 LEU 9 1.296 13.608 -5.056
85 HG LEU 9 HG LEU 9 -0.620 13.811 -3.456
86 HD11 LEU 9 HD11 LEU 9 -1.658 15.920 -5.043
87 HD12 LEU 9 HD12 LEU 9 0.009 15.676 -5.693
88 HD13 LEU 9 HD13 LEU 9 -0.237 16.013 -3.934
89 HD21 LEU 9 HD21 LEU 9 -2.146 12.351 -5.054
90 HD22 LEU 9 HD22 LEU 9 -2.517 13.922 -5.869
91 HD23 LEU 9 HD23 LEU 9 -2.904 13.699 -4.116
92 H DAS 10 HN DAS 10 0.703 11.024 -7.587
93 HA DAS 10 HA DAS 10 2.503 10.115 -8.369
94 HB2 DAS 10 HB2 DAS 10 4.046 12.703 -8.358
95 HB3 DAS 10 HB1 DAS 10 3.694 11.871 -6.798
96 H PHE 11 HN PHE 11 0.789 12.674 -9.504
97 HA PHE 11 HA PHE 11 2.085 12.559 -12.150
98 HB2 PHE 11 HB2 PHE 11 -0.035 12.093 -13.047
99 HB3 PHE 11 HB1 PHE 11 -0.688 12.082 -11.351
100 HD1 PHE 11 HD1 PHE 11 0.187 14.385 -14.155
101 HD2 PHE 11 HD2 PHE 11 -1.984 13.668 -10.639
102 HE1 PHE 11 HE1 PHE 11 -0.785 16.597 -14.290
103 HE2 PHE 11 HE2 PHE 11 -2.871 15.807 -10.647
104 HZ PHE 11 HZ PHE 11 -2.380 17.365 -12.546
105 H LEU 12 HN LEU 12 0.779 14.333 -9.364
106 HA LEU 12 HA LEU 12 0.507 16.822 -10.547
107 HB2 LEU 12 HB2 LEU 12 0.758 15.620 -7.906
108 HB3 LEU 12 HB1 LEU 12 1.373 17.304 -7.924
109 HG LEU 12 HG LEU 12 -0.734 17.608 -7.298
110 HD11 LEU 12 HD11 LEU 12 -1.404 17.504 -10.270
111 HD12 LEU 12 HD12 LEU 12 -0.263 18.717 -9.587
112 HD13 LEU 12 HD13 LEU 12 -1.979 18.673 -9.024
113 HD21 LEU 12 HD21 LEU 12 -1.506 15.191 -8.949
114 HD22 LEU 12 HD22 LEU 12 -2.726 16.237 -8.135
115 HD23 LEU 12 HD23 LEU 12 -1.475 15.365 -7.160
116 H PHE 13 HN PHE 13 3.320 15.504 -8.743
117 HA PHE 13 HA PHE 13 4.630 17.995 -9.182
118 HB2 PHE 13 HB2 PHE 13 6.178 15.554 -8.254
119 HB3 PHE 13 HB1 PHE 13 6.288 17.273 -7.666
120 HD1 PHE 13 HD1 PHE 13 5.225 14.149 -6.904
121 HD2 PHE 13 HD2 PHE 13 3.987 18.184 -6.946
122 HE1 PHE 13 HE1 PHE 13 3.429 13.620 -5.421
123 HE2 PHE 13 HE2 PHE 13 2.203 17.663 -5.437
124 HZ PHE 13 HZ PHE 13 1.913 15.389 -4.664
125 H LEU 14 HN LEU 14 3.690 15.877 -11.196
126 HA LEU 14 HA LEU 14 6.212 15.679 -12.611
127 HB2 LEU 14 HB2 LEU 14 3.731 13.931 -12.788
128 HB3 LEU 14 HB1 LEU 14 5.203 13.725 -13.817
129 HG LEU 14 HG LEU 14 4.892 13.274 -10.784
130 HD11 LEU 14 HD11 LEU 14 4.430 11.460 -12.658
131 HD12 LEU 14 HD12 LEU 14 5.464 11.007 -11.250
132 HD13 LEU 14 HD13 LEU 14 6.223 11.403 -12.837
133 HD21 LEU 14 HD21 LEU 14 7.429 13.934 -12.353
134 HD22 LEU 14 HD22 LEU 14 7.517 12.640 -11.100
135 HD23 LEU 14 HD23 LEU 14 6.984 14.300 -10.642
136 H ARG 15 HN ARG 15 3.207 17.320 -12.577
137 HA ARG 15 HA ARG 15 2.722 17.111 -15.367
138 HB2 ARG 15 HB2 ARG 15 1.107 18.911 -15.095
139 HB3 ARG 15 HB1 ARG 15 0.851 17.571 -13.913
140 HG2 ARG 15 HG2 ARG 15 2.477 19.176 -12.426
141 HG3 ARG 15 HG1 ARG 15 1.723 20.416 -13.484
142 HD2 ARG 15 HD2 ARG 15 0.112 18.307 -11.951
143 HD3 ARG 15 HD1 ARG 15 0.447 19.978 -11.309
144 HE ARG 15 HE ARG 15 -1.411 19.249 -13.504
145 HH11 ARG 15 HH11 ARG 15 0.555 21.785 -11.947
146 HH12 ARG 15 HH12 ARG 15 -0.371 23.103 -12.583
147 HH21 ARG 15 HH21 ARG 15 -2.664 21.042 -14.363
148 HH22 ARG 15 HH22 ARG 15 -2.231 22.673 -13.976
149 H LYS 16 HN LYS 16 4.574 19.132 -13.227
150 HA LYS 16 HA LYS 16 6.065 20.343 -15.112
151 HB2 LYS 16 HB2 LYS 16 5.008 22.490 -15.603
152 HB3 LYS 16 HB1 LYS 16 3.799 21.210 -15.977
153 HG2 LYS 16 HG2 LYS 16 2.393 22.486 -14.766
154 HG3 LYS 16 HG1 LYS 16 3.158 21.662 -13.371
155 HD2 LYS 16 HD2 LYS 16 4.739 23.553 -13.073
156 HD3 LYS 16 HD1 LYS 16 4.084 24.362 -14.537
157 HE2 LYS 16 HE2 LYS 16 1.839 24.580 -13.414
158 HE3 LYS 16 HE1 LYS 16 2.513 23.778 -11.934
159 HZ1 LYS 16 HZ1 LYS 16 3.062 25.802 -11.328
160 HZ2 LYS 16 HZ2 LYS 16 2.785 26.469 -12.865
161 HZ3 LYS 16 HZ3 LYS 16 4.286 25.763 -12.504
162 H LYS 17 HN LYS 17 4.193 20.350 -12.165
163 HA LYS 17 HA LYS 17 5.505 22.327 -10.757
164 HB2 LYS 17 HB2 LYS 17 4.130 19.709 -9.944
165 HB3 LYS 17 HB1 LYS 17 4.782 20.875 -8.721
166 HG2 LYS 17 HG2 LYS 17 3.318 22.678 -9.687
167 HG3 LYS 17 HG1 LYS 17 2.661 21.495 -10.871
168 HD2 LYS 17 HD2 LYS 17 1.791 20.094 -8.994
169 HD3 LYS 17 HD1 LYS 17 2.468 21.258 -7.804
170 HE2 LYS 17 HE2 LYS 17 0.963 23.061 -8.698
171 HE3 LYS 17 HE1 LYS 17 0.284 21.889 -9.904
172 HZ1 LYS 17 HZ1 LYS 17 -0.525 20.553 -8.128
173 HZ2 LYS 17 HZ2 LYS 17 -1.052 22.150 -7.894
174 HZ3 LYS 17 HZ3 LYS 17 0.218 21.528 -6.953
Start of MODEL 12
1 H1 ALA 1 HT1 ALA 1 -3.801 4.881 4.346
2 H2 ALA 1 HT2 ALA 1 -2.956 4.954 5.818
3 H3 ALA 1 HT3 ALA 1 -3.562 3.469 5.260
4 HA ALA 1 HA ALA 1 -1.406 5.081 4.058
5 HB1 ALA 1 HB1 ALA 1 -1.431 2.287 5.361
6 HB2 ALA 1 HB2 ALA 1 -0.698 3.775 6.072
7 HB3 ALA 1 HB3 ALA 1 0.011 3.045 4.582
8 H MET 2 HN MET 2 -2.894 5.119 2.071
9 HA MET 2 HA MET 2 -2.530 2.572 0.651
10 HB2 MET 2 HB2 MET 2 -4.841 4.580 0.336
11 HB3 MET 2 HB1 MET 2 -4.582 3.123 -0.687
12 HG2 MET 2 HG2 MET 2 -4.879 1.649 1.298
13 HG3 MET 2 HG1 MET 2 -5.105 3.085 2.346
14 HE1 MET 2 HE1 MET 2 -8.608 1.515 2.411
15 HE2 MET 2 HE2 MET 2 -7.262 2.261 3.340
16 HE3 MET 2 HE3 MET 2 -6.985 0.742 2.419
17 H ARG 3 HN ARG 3 -1.594 2.796 -1.432
18 HA ARG 3 HA ARG 3 -0.863 5.540 -2.014
19 HB2 ARG 3 HB2 ARG 3 0.774 3.406 -2.061
20 HB3 ARG 3 HB1 ARG 3 0.067 3.221 -3.701
21 HG2 ARG 3 HG2 ARG 3 0.653 5.936 -3.648
22 HG3 ARG 3 HG1 ARG 3 1.984 5.257 -2.648
23 HD2 ARG 3 HD2 ARG 3 2.609 3.693 -4.485
24 HD3 ARG 3 HD1 ARG 3 1.215 4.299 -5.484
25 HE ARG 3 HE ARG 3 2.889 6.518 -4.636
26 HH11 ARG 3 HH11 ARG 3 2.745 3.714 -6.827
27 HH12 ARG 3 HH12 ARG 3 3.746 4.423 -8.050
28 HH21 ARG 3 HH21 ARG 3 4.243 7.487 -6.301
29 HH22 ARG 3 HH22 ARG 3 4.613 6.607 -7.745
30 H ILE 4 HN ILE 4 -3.188 5.824 -2.377
31 HA ILE 4 HA ILE 4 -3.761 5.134 -5.160
32 HB ILE 4 HB ILE 4 -6.124 5.562 -4.543
33 HG12 ILE 4 HG12 ILE 4 -4.979 5.527 -1.693
34 HG13 ILE 4 HG11 ILE 4 -5.628 6.963 -2.560
35 HG21 ILE 4 HG21 ILE 4 -6.334 3.307 -3.255
36 HG22 ILE 4 HG22 ILE 4 -4.530 3.301 -3.155
37 HG23 ILE 4 HG23 ILE 4 -5.347 3.242 -4.765
38 HD11 ILE 4 HD11 ILE 4 -7.153 4.526 -1.495
39 HD12 ILE 4 HD12 ILE 4 -7.845 5.546 -2.814
40 HD13 ILE 4 HD13 ILE 4 -7.460 6.281 -1.210
41 H SER 5 HN SER 5 -3.199 7.470 -2.698
42 HA SER 5 HA SER 5 -4.137 9.531 -4.559
43 HB2 SER 5 HB2 SER 5 -4.050 9.664 -1.486
44 HB3 SER 5 HB1 SER 5 -4.454 11.058 -2.566
45 HG SER 5 HG SER 5 -5.960 9.086 -3.354
46 H ARG 6 HN ARG 6 -1.493 8.278 -4.664
47 HA ARG 6 HA ARG 6 -0.072 10.694 -4.112
48 HB2 ARG 6 HB2 ARG 6 0.539 9.394 -2.158
49 HB3 ARG 6 HB1 ARG 6 0.691 7.902 -3.143
50 HG2 ARG 6 HG2 ARG 6 2.885 9.022 -2.393
51 HG3 ARG 6 HG1 ARG 6 2.736 8.611 -4.134
52 HD2 ARG 6 HD2 ARG 6 3.701 10.899 -3.903
53 HD3 ARG 6 HD1 ARG 6 2.024 11.016 -4.606
54 HE ARG 6 HE ARG 6 1.283 12.022 -2.578
55 HH11 ARG 6 HH11 ARG 6 4.584 10.713 -2.244
56 HH12 ARG 6 HH12 ARG 6 4.896 11.479 -0.723
57 HH21 ARG 6 HH21 ARG 6 1.712 13.060 -0.511
58 HH22 ARG 6 HH22 ARG 6 3.237 12.834 0.278
59 H ILE 7 HN ILE 7 -1.410 9.222 -6.332
60 HA ILE 7 HA ILE 7 0.978 9.057 -7.987
61 HB ILE 7 HB ILE 7 -1.629 7.737 -8.700
62 HG12 ILE 7 HG12 ILE 7 -0.292 5.643 -7.599
63 HG13 ILE 7 HG11 ILE 7 0.395 6.961 -6.580
64 HG21 ILE 7 HG21 ILE 7 1.367 7.323 -9.360
65 HG22 ILE 7 HG22 ILE 7 0.050 7.846 -10.478
66 HG23 ILE 7 HG23 ILE 7 0.082 6.155 -9.849
67 HD11 ILE 7 HD11 ILE 7 -2.365 7.529 -6.585
68 HD12 ILE 7 HD12 ILE 7 -1.430 6.742 -5.263
69 HD13 ILE 7 HD13 ILE 7 -2.299 5.729 -6.482
70 H ILE 8 HN ILE 8 -1.662 10.670 -6.983
71 HA ILE 8 HA ILE 8 -1.998 12.004 -9.533
72 HB ILE 8 HB ILE 8 -3.752 12.262 -7.073
73 HG12 ILE 8 HG12 ILE 8 -5.232 10.602 -8.624
74 HG13 ILE 8 HG11 ILE 8 -3.589 10.068 -9.127
75 HG21 ILE 8 HG21 ILE 8 -4.325 14.010 -8.567
76 HG22 ILE 8 HG22 ILE 8 -5.425 12.711 -9.166
77 HG23 ILE 8 HG23 ILE 8 -3.881 13.055 -10.032
78 HD11 ILE 8 HD11 ILE 8 -3.205 10.098 -6.404
79 HD12 ILE 8 HD12 ILE 8 -3.824 8.659 -7.300
80 HD13 ILE 8 HD13 ILE 8 -4.981 9.749 -6.450
81 H LEU 9 HN LEU 9 -0.246 11.775 -7.086
82 HA LEU 9 HA LEU 9 0.210 14.616 -6.847
83 HB2 LEU 9 HB2 LEU 9 0.572 12.260 -4.969
84 HB3 LEU 9 HB1 LEU 9 1.698 13.649 -4.864
85 HG LEU 9 HG LEU 9 -0.263 13.655 -3.226
86 HD11 LEU 9 HD11 LEU 9 0.769 15.837 -4.967
87 HD12 LEU 9 HD12 LEU 9 0.568 15.778 -3.171
88 HD13 LEU 9 HD13 LEU 9 -0.832 16.217 -4.222
89 HD21 LEU 9 HD21 LEU 9 -1.913 12.841 -5.052
90 HD22 LEU 9 HD22 LEU 9 -1.923 14.542 -5.662
91 HD23 LEU 9 HD23 LEU 9 -2.490 14.180 -3.984
92 H DAS 10 HN DAS 10 0.968 11.323 -7.284
93 HA DAS 10 HA DAS 10 2.722 10.285 -8.022
94 HB2 DAS 10 HB2 DAS 10 4.348 12.827 -8.324
95 HB3 DAS 10 HB1 DAS 10 4.129 12.080 -6.695
96 H PHE 11 HN PHE 11 1.191 12.964 -9.232
97 HA PHE 11 HA PHE 11 2.221 12.490 -11.932
98 HB2 PHE 11 HB2 PHE 11 0.052 12.020 -12.647
99 HB3 PHE 11 HB1 PHE 11 -0.465 12.131 -10.912
100 HD1 PHE 11 HD1 PHE 11 -0.053 14.049 -14.033
101 HD2 PHE 11 HD2 PHE 11 -1.361 13.925 -10.052
102 HE1 PHE 11 HE1 PHE 11 -1.060 16.236 -14.302
103 HE2 PHE 11 HE2 PHE 11 -2.376 16.035 -10.241
104 HZ PHE 11 HZ PHE 11 -2.302 17.267 -12.414
105 H LEU 12 HN LEU 12 1.192 14.465 -9.236
106 HA LEU 12 HA LEU 12 0.891 16.856 -10.615
107 HB2 LEU 12 HB2 LEU 12 1.649 16.040 -7.848
108 HB3 LEU 12 HB1 LEU 12 1.570 17.787 -8.277
109 HG LEU 12 HG LEU 12 -0.586 15.736 -8.511
110 HD11 LEU 12 HD11 LEU 12 -0.971 16.033 -6.371
111 HD12 LEU 12 HD12 LEU 12 -1.134 17.820 -6.600
112 HD13 LEU 12 HD13 LEU 12 0.491 17.079 -6.288
113 HD21 LEU 12 HD21 LEU 12 -0.640 18.776 -8.913
114 HD22 LEU 12 HD22 LEU 12 -2.075 17.684 -8.993
115 HD23 LEU 12 HD23 LEU 12 -0.749 17.534 -10.212
116 H PHE 13 HN PHE 13 3.767 15.460 -8.984
117 HA PHE 13 HA PHE 13 5.087 17.928 -9.527
118 HB2 PHE 13 HB2 PHE 13 6.653 15.479 -8.639
119 HB3 PHE 13 HB1 PHE 13 6.812 17.204 -8.084
120 HD1 PHE 13 HD1 PHE 13 5.997 14.190 -6.981
121 HD2 PHE 13 HD2 PHE 13 4.331 18.045 -7.450
122 HE1 PHE 13 HE1 PHE 13 4.290 13.668 -5.372
123 HE2 PHE 13 HE2 PHE 13 2.635 17.521 -5.858
124 HZ PHE 13 HZ PHE 13 2.611 15.352 -4.814
125 H LEU 14 HN LEU 14 3.917 15.828 -11.381
126 HA LEU 14 HA LEU 14 6.256 15.491 -13.048
127 HB2 LEU 14 HB2 LEU 14 3.750 13.772 -12.898
128 HB3 LEU 14 HB1 LEU 14 5.163 13.462 -13.980
129 HG LEU 14 HG LEU 14 5.054 13.314 -10.897
130 HD11 LEU 14 HD11 LEU 14 5.424 10.972 -11.153
131 HD12 LEU 14 HD12 LEU 14 6.029 11.135 -12.844
132 HD13 LEU 14 HD13 LEU 14 4.274 11.355 -12.491
133 HD21 LEU 14 HD21 LEU 14 7.597 12.412 -11.471
134 HD22 LEU 14 HD22 LEU 14 7.225 14.110 -10.995
135 HD23 LEU 14 HD23 LEU 14 7.443 13.689 -12.736
136 H ARG 15 HN ARG 15 3.292 17.178 -12.733
137 HA ARG 15 HA ARG 15 2.559 16.846 -15.499
138 HB2 ARG 15 HB2 ARG 15 0.873 18.649 -14.998
139 HB3 ARG 15 HB1 ARG 15 0.679 17.080 -14.134
140 HG2 ARG 15 HG2 ARG 15 1.000 18.016 -12.096
141 HG3 ARG 15 HG1 ARG 15 2.376 19.020 -12.660
142 HD2 ARG 15 HD2 ARG 15 0.864 20.728 -12.266
143 HD3 ARG 15 HD1 ARG 15 0.327 20.290 -13.953
144 HE ARG 15 HE ARG 15 -1.082 18.612 -12.103
145 HH11 ARG 15 HH11 ARG 15 -0.757 22.026 -13.061
146 HH12 ARG 15 HH12 ARG 15 -2.385 22.457 -12.659
147 HH21 ARG 15 HH21 ARG 15 -3.301 19.198 -11.553
148 HH22 ARG 15 HH22 ARG 15 -3.856 20.821 -11.787
149 H LYS 16 HN LYS 16 4.334 19.040 -13.438
150 HA LYS 16 HA LYS 16 5.592 20.349 -15.435
151 HB2 LYS 16 HB2 LYS 16 4.345 22.437 -15.796
152 HB3 LYS 16 HB1 LYS 16 3.257 21.055 -16.179
153 HG2 LYS 16 HG2 LYS 16 1.776 22.161 -14.881
154 HG3 LYS 16 HG1 LYS 16 2.651 21.348 -13.543
155 HD2 LYS 16 HD2 LYS 16 2.816 23.487 -12.713
156 HD3 LYS 16 HD1 LYS 16 4.225 23.583 -13.826
157 HE2 LYS 16 HE2 LYS 16 2.793 24.642 -15.583
158 HE3 LYS 16 HE1 LYS 16 1.346 24.505 -14.499
159 HZ1 LYS 16 HZ1 LYS 16 2.854 26.641 -14.626
160 HZ2 LYS 16 HZ2 LYS 16 3.727 25.817 -13.425
161 HZ3 LYS 16 HZ3 LYS 16 2.079 26.155 -13.196
162 H LYS 17 HN LYS 17 3.928 20.287 -12.356
163 HA LYS 17 HA LYS 17 5.249 22.377 -11.102
164 HB2 LYS 17 HB2 LYS 17 4.016 19.752 -10.116
165 HB3 LYS 17 HB1 LYS 17 4.694 20.985 -8.979
166 HG2 LYS 17 HG2 LYS 17 3.112 22.698 -9.915
167 HG3 LYS 17 HG1 LYS 17 2.430 21.453 -11.019
168 HD2 LYS 17 HD2 LYS 17 1.720 20.092 -9.047
169 HD3 LYS 17 HD1 LYS 17 2.416 21.325 -7.940
170 HE2 LYS 17 HE2 LYS 17 0.799 23.038 -8.820
171 HE3 LYS 17 HE1 LYS 17 0.101 21.795 -9.942
172 HZ1 LYS 17 HZ1 LYS 17 0.180 20.740 -7.348
173 HZ2 LYS 17 HZ2 LYS 17 -1.163 21.121 -8.313
174 HZ3 LYS 17 HZ3 LYS 17 -0.512 22.288 -7.265
Start of MODEL 13
1 H1 ALA 1 HT1 ALA 1 -0.862 6.508 4.151
2 H2 ALA 1 HT2 ALA 1 -0.211 5.536 2.918
3 H3 ALA 1 HT3 ALA 1 0.488 5.526 4.467
4 HA ALA 1 HA ALA 1 -0.733 3.794 4.934
5 HB1 ALA 1 HB1 ALA 1 -2.124 5.508 6.093
6 HB2 ALA 1 HB2 ALA 1 -3.193 4.218 5.424
7 HB3 ALA 1 HB3 ALA 1 -3.044 5.801 4.570
8 H MET 2 HN MET 2 -2.405 5.542 2.216
9 HA MET 2 HA MET 2 -2.670 2.904 0.949
10 HB2 MET 2 HB2 MET 2 -4.655 5.255 0.863
11 HB3 MET 2 HB1 MET 2 -4.754 3.800 -0.189
12 HG2 MET 2 HG2 MET 2 -5.061 2.339 1.783
13 HG3 MET 2 HG1 MET 2 -4.854 3.734 2.887
14 HE1 MET 2 HE1 MET 2 -6.725 1.859 0.310
15 HE2 MET 2 HE2 MET 2 -6.997 3.380 -0.607
16 HE3 MET 2 HE3 MET 2 -8.381 2.548 0.180
17 H ARG 3 HN ARG 3 -1.982 2.874 -1.243
18 HA ARG 3 HA ARG 3 -0.907 5.431 -2.084
19 HB2 ARG 3 HB2 ARG 3 0.337 3.034 -2.182
20 HB3 ARG 3 HB1 ARG 3 -0.560 2.938 -3.735
21 HG2 ARG 3 HG2 ARG 3 0.501 5.529 -3.797
22 HG3 ARG 3 HG1 ARG 3 1.800 4.587 -2.985
23 HD2 ARG 3 HD2 ARG 3 1.817 2.946 -4.884
24 HD3 ARG 3 HD1 ARG 3 0.481 3.876 -5.690
25 HE ARG 3 HE ARG 3 2.033 5.612 -6.217
26 HH11 ARG 3 HH11 ARG 3 3.475 3.125 -4.104
27 HH12 ARG 3 HH12 ARG 3 5.103 3.675 -4.316
28 HH21 ARG 3 HH21 ARG 3 4.241 6.355 -6.499
29 HH22 ARG 3 HH22 ARG 3 5.546 5.542 -5.700
30 H ILE 4 HN ILE 4 -3.181 6.079 -2.207
31 HA ILE 4 HA ILE 4 -4.182 5.368 -4.860
32 HB ILE 4 HB ILE 4 -6.359 6.196 -4.018
33 HG12 ILE 4 HG12 ILE 4 -4.914 6.109 -1.310
34 HG13 ILE 4 HG11 ILE 4 -5.421 7.591 -2.196
35 HG21 ILE 4 HG21 ILE 4 -5.032 3.793 -2.582
36 HG22 ILE 4 HG22 ILE 4 -5.885 3.759 -4.173
37 HG23 ILE 4 HG23 ILE 4 -6.816 4.067 -2.658
38 HD11 ILE 4 HD11 ILE 4 -7.047 5.739 -0.508
39 HD12 ILE 4 HD12 ILE 4 -7.817 6.134 -2.091
40 HD13 ILE 4 HD13 ILE 4 -7.341 7.460 -0.963
41 H SER 5 HN SER 5 -2.955 7.674 -2.631
42 HA SER 5 HA SER 5 -3.777 9.785 -4.497
43 HB2 SER 5 HB2 SER 5 -3.287 10.021 -1.464
44 HB3 SER 5 HB1 SER 5 -3.585 11.421 -2.571
45 HG SER 5 HG SER 5 -5.476 9.684 -3.053
46 H ARG 6 HN ARG 6 -1.369 8.108 -4.827
47 HA ARG 6 HA ARG 6 0.385 10.333 -4.739
48 HB2 ARG 6 HB2 ARG 6 1.033 9.194 -2.653
49 HB3 ARG 6 HB1 ARG 6 1.087 7.619 -3.521
50 HG2 ARG 6 HG2 ARG 6 3.344 8.863 -3.078
51 HG3 ARG 6 HG1 ARG 6 3.042 8.168 -4.704
52 HD2 ARG 6 HD2 ARG 6 4.000 10.453 -4.954
53 HD3 ARG 6 HD1 ARG 6 2.263 10.471 -5.506
54 HE ARG 6 HE ARG 6 1.709 11.788 -3.595
55 HH11 ARG 6 HH11 ARG 6 5.056 10.567 -3.413
56 HH12 ARG 6 HH12 ARG 6 5.513 11.581 -2.086
57 HH21 ARG 6 HH21 ARG 6 2.336 13.161 -1.792
58 HH22 ARG 6 HH22 ARG 6 3.942 13.078 -1.151
59 H ILE 7 HN ILE 7 -1.155 9.431 -6.685
60 HA ILE 7 HA ILE 7 0.835 8.392 -8.490
61 HB ILE 7 HB ILE 7 -2.072 7.651 -8.858
62 HG12 ILE 7 HG12 ILE 7 -1.097 5.360 -7.728
63 HG13 ILE 7 HG11 ILE 7 -0.130 6.567 -6.810
64 HG21 ILE 7 HG21 ILE 7 -0.374 7.368 -10.709
65 HG22 ILE 7 HG22 ILE 7 -1.043 5.784 -10.161
66 HG23 ILE 7 HG23 ILE 7 0.606 6.298 -9.636
67 HD11 ILE 7 HD11 ILE 7 -3.189 6.320 -6.934
68 HD12 ILE 7 HD12 ILE 7 -2.346 7.785 -6.300
69 HD13 ILE 7 HD13 ILE 7 -2.102 6.190 -5.500
70 H ILE 8 HN ILE 8 -2.212 9.944 -7.746
71 HA ILE 8 HA ILE 8 -2.162 11.579 -10.056
72 HB ILE 8 HB ILE 8 -3.431 12.323 -7.394
73 HG12 ILE 8 HG12 ILE 8 -5.456 10.907 -8.363
74 HG13 ILE 8 HG11 ILE 8 -4.152 9.994 -9.202
75 HG21 ILE 8 HG21 ILE 8 -3.699 13.958 -9.178
76 HG22 ILE 8 HG22 ILE 8 -5.274 13.086 -9.067
77 HG23 ILE 8 HG23 ILE 8 -4.114 12.688 -10.390
78 HD11 ILE 8 HD11 ILE 8 -3.810 8.803 -7.286
79 HD12 ILE 8 HD12 ILE 8 -4.991 9.827 -6.382
80 HD13 ILE 8 HD13 ILE 8 -3.249 10.316 -6.476
81 H LEU 9 HN LEU 9 -1.135 11.704 -6.637
82 HA LEU 9 HA LEU 9 -0.155 14.272 -7.105
83 HB2 LEU 9 HB2 LEU 9 0.295 12.141 -5.039
84 HB3 LEU 9 HB1 LEU 9 1.305 13.622 -5.068
85 HG LEU 9 HG LEU 9 -0.613 13.835 -3.472
86 HD11 LEU 9 HD11 LEU 9 -1.661 15.924 -5.080
87 HD12 LEU 9 HD12 LEU 9 0.010 15.684 -5.722
88 HD13 LEU 9 HD13 LEU 9 -0.244 16.036 -3.966
89 HD21 LEU 9 HD21 LEU 9 -2.133 12.355 -5.057
90 HD22 LEU 9 HD22 LEU 9 -2.514 13.919 -5.881
91 HD23 LEU 9 HD23 LEU 9 -2.896 13.704 -4.125
92 H DAS 10 HN DAS 10 0.728 11.016 -7.594
93 HA DAS 10 HA DAS 10 2.532 10.119 -8.364
94 HB2 DAS 10 HB2 DAS 10 4.073 12.706 -8.360
95 HB3 DAS 10 HB1 DAS 10 3.697 11.901 -6.792
96 H PHE 11 HN PHE 11 0.807 12.664 -9.511
97 HA PHE 11 HA PHE 11 2.112 12.545 -12.152
98 HB2 PHE 11 HB2 PHE 11 -0.003 12.067 -13.053
99 HB3 PHE 11 HB1 PHE 11 -0.662 12.061 -11.360
100 HD1 PHE 11 HD1 PHE 11 0.219 14.358 -14.169
101 HD2 PHE 11 HD2 PHE 11 -1.967 13.643 -10.662
102 HE1 PHE 11 HE1 PHE 11 -0.756 16.568 -14.313
103 HE2 PHE 11 HE2 PHE 11 -2.860 15.781 -10.679
104 HZ PHE 11 HZ PHE 11 -2.363 17.336 -12.579
105 H LEU 12 HN LEU 12 0.791 14.323 -9.379
106 HA LEU 12 HA LEU 12 0.506 16.804 -10.569
107 HB2 LEU 12 HB2 LEU 12 0.761 15.615 -7.924
108 HB3 LEU 12 HB1 LEU 12 1.371 17.302 -7.947
109 HG LEU 12 HG LEU 12 -0.739 17.598 -7.325
110 HD11 LEU 12 HD11 LEU 12 -1.941 18.696 -9.034
111 HD12 LEU 12 HD12 LEU 12 -1.448 17.488 -10.280
112 HD13 LEU 12 HD13 LEU 12 -0.244 18.669 -9.650
113 HD21 LEU 12 HD21 LEU 12 -1.503 15.180 -8.979
114 HD22 LEU 12 HD22 LEU 12 -2.725 16.222 -8.163
115 HD23 LEU 12 HD23 LEU 12 -1.473 15.350 -7.189
116 H PHE 13 HN PHE 13 3.327 15.516 -8.753
117 HA PHE 13 HA PHE 13 4.616 18.018 -9.208
118 HB2 PHE 13 HB2 PHE 13 6.185 15.598 -8.260
119 HB3 PHE 13 HB1 PHE 13 6.274 17.323 -7.682
120 HD1 PHE 13 HD1 PHE 13 5.235 14.187 -6.915
121 HD2 PHE 13 HD2 PHE 13 3.970 18.213 -6.965
122 HE1 PHE 13 HE1 PHE 13 3.440 13.647 -5.432
123 HE2 PHE 13 HE2 PHE 13 2.187 17.684 -5.458
124 HZ PHE 13 HZ PHE 13 1.912 15.408 -4.682
125 H LEU 14 HN LEU 14 3.703 15.865 -11.206
126 HA LEU 14 HA LEU 14 6.231 15.674 -12.608
127 HB2 LEU 14 HB2 LEU 14 3.751 13.925 -12.796
128 HB3 LEU 14 HB1 LEU 14 5.226 13.718 -13.819
129 HG LEU 14 HG LEU 14 4.903 13.268 -10.788
130 HD11 LEU 14 HD11 LEU 14 4.459 11.450 -12.660
131 HD12 LEU 14 HD12 LEU 14 5.496 11.004 -11.251
132 HD13 LEU 14 HD13 LEU 14 6.253 11.406 -12.838
133 HD21 LEU 14 HD21 LEU 14 6.987 14.317 -10.644
134 HD22 LEU 14 HD22 LEU 14 7.452 13.924 -12.343
135 HD23 LEU 14 HD23 LEU 14 7.527 12.651 -11.068
136 H ARG 15 HN ARG 15 3.202 17.290 -12.602
137 HA ARG 15 HA ARG 15 2.753 17.094 -15.392
138 HB2 ARG 15 HB2 ARG 15 1.144 18.897 -15.148
139 HB3 ARG 15 HB1 ARG 15 0.872 17.572 -13.952
140 HG2 ARG 15 HG2 ARG 15 2.424 19.134 -12.413
141 HG3 ARG 15 HG1 ARG 15 1.853 20.404 -13.545
142 HD2 ARG 15 HD2 ARG 15 -0.108 18.464 -12.232
143 HD3 ARG 15 HD1 ARG 15 0.417 20.001 -11.405
144 HE ARG 15 HE ARG 15 -0.389 20.578 -14.129
145 HH11 ARG 15 HH11 ARG 15 -1.669 19.617 -10.947
146 HH12 ARG 15 HH12 ARG 15 -3.227 20.334 -11.188
147 HH21 ARG 15 HH21 ARG 15 -2.503 21.552 -14.453
148 HH22 ARG 15 HH22 ARG 15 -3.709 21.452 -13.215
149 H LYS 16 HN LYS 16 4.583 19.123 -13.231
150 HA LYS 16 HA LYS 16 6.117 20.317 -15.088
151 HB2 LYS 16 HB2 LYS 16 5.074 22.442 -15.659
152 HB3 LYS 16 HB1 LYS 16 3.856 21.167 -16.012
153 HG2 LYS 16 HG2 LYS 16 2.447 22.473 -14.850
154 HG3 LYS 16 HG1 LYS 16 3.200 21.703 -13.421
155 HD2 LYS 16 HD2 LYS 16 4.793 23.602 -13.195
156 HD3 LYS 16 HD1 LYS 16 4.129 24.359 -14.682
157 HE2 LYS 16 HE2 LYS 16 1.887 24.606 -13.554
158 HE3 LYS 16 HE1 LYS 16 2.577 23.865 -12.050
159 HZ1 LYS 16 HZ1 LYS 16 2.852 26.518 -13.109
160 HZ2 LYS 16 HZ2 LYS 16 4.342 25.823 -12.682
161 HZ3 LYS 16 HZ3 LYS 16 3.092 25.927 -11.536
162 H LYS 17 HN LYS 17 4.184 20.346 -12.190
163 HA LYS 17 HA LYS 17 5.371 22.383 -10.786
164 HB2 LYS 17 HB2 LYS 17 4.024 19.748 -10.051
165 HB3 LYS 17 HB1 LYS 17 4.735 20.800 -8.760
166 HG2 LYS 17 HG2 LYS 17 3.309 22.683 -9.406
167 HG3 LYS 17 HG1 LYS 17 2.723 21.802 -10.862
168 HD2 LYS 17 HD2 LYS 17 0.984 21.661 -9.198
169 HD3 LYS 17 HD1 LYS 17 1.745 20.039 -9.310
170 HE2 LYS 17 HE2 LYS 17 1.375 20.564 -6.933
171 HE3 LYS 17 HE1 LYS 17 3.158 20.643 -7.247
172 HZ1 LYS 17 HZ1 LYS 17 3.148 22.722 -6.615
173 HZ2 LYS 17 HZ2 LYS 17 1.504 22.603 -6.208
174 HZ3 LYS 17 HZ3 LYS 17 1.960 23.151 -7.749
Start of MODEL 14
1 H1 ALA 1 HT1 ALA 1 -1.052 6.118 4.056
2 H2 ALA 1 HT2 ALA 1 -0.316 5.231 2.808
3 H3 ALA 1 HT3 ALA 1 0.324 5.177 4.381
4 HA ALA 1 HA ALA 1 -0.851 3.393 4.747
5 HB1 ALA 1 HB1 ALA 1 -3.356 3.687 5.089
6 HB2 ALA 1 HB2 ALA 1 -3.228 5.303 4.296
7 HB3 ALA 1 HB3 ALA 1 -2.393 4.999 5.865
8 H MET 2 HN MET 2 -2.464 5.135 1.989
9 HA MET 2 HA MET 2 -2.480 2.536 0.622
10 HB2 MET 2 HB2 MET 2 -4.644 4.724 0.552
11 HB3 MET 2 HB1 MET 2 -4.577 3.333 -0.585
12 HG2 MET 2 HG2 MET 2 -4.693 1.773 1.433
13 HG3 MET 2 HG1 MET 2 -4.971 3.213 2.461
14 HE1 MET 2 HE1 MET 2 -8.342 4.576 1.744
15 HE2 MET 2 HE2 MET 2 -6.892 5.161 0.859
16 HE3 MET 2 HE3 MET 2 -6.749 4.644 2.574
17 H ARG 3 HN ARG 3 -1.715 2.637 -1.535
18 HA ARG 3 HA ARG 3 -0.819 5.304 -2.265
19 HB2 ARG 3 HB2 ARG 3 0.839 3.330 -2.257
20 HB3 ARG 3 HB1 ARG 3 -0.119 2.669 -3.625
21 HG2 ARG 3 HG2 ARG 3 1.549 3.822 -4.772
22 HG3 ARG 3 HG1 ARG 3 0.242 5.057 -4.690
23 HD2 ARG 3 HD2 ARG 3 1.348 6.235 -2.849
24 HD3 ARG 3 HD1 ARG 3 2.580 4.905 -2.669
25 HE ARG 3 HE ARG 3 2.553 5.982 -5.386
26 HH11 ARG 3 HH11 ARG 3 3.617 6.540 -2.033
27 HH12 ARG 3 HH12 ARG 3 4.960 7.544 -2.463
28 HH21 ARG 3 HH21 ARG 3 4.375 7.351 -5.973
29 HH22 ARG 3 HH22 ARG 3 5.397 8.015 -4.743
30 H ILE 4 HN ILE 4 -3.144 5.697 -2.577
31 HA ILE 4 HA ILE 4 -3.773 4.982 -5.341
32 HB ILE 4 HB ILE 4 -6.141 5.267 -4.670
33 HG12 ILE 4 HG12 ILE 4 -4.950 5.146 -1.844
34 HG13 ILE 4 HG11 ILE 4 -5.645 6.604 -2.633
35 HG21 ILE 4 HG21 ILE 4 -4.448 3.029 -3.363
36 HG22 ILE 4 HG22 ILE 4 -5.204 3.001 -5.003
37 HG23 ILE 4 HG23 ILE 4 -6.245 2.951 -3.530
38 HD11 ILE 4 HD11 ILE 4 -7.079 4.115 -1.596
39 HD12 ILE 4 HD12 ILE 4 -7.812 5.062 -2.946
40 HD13 ILE 4 HD13 ILE 4 -7.479 5.859 -1.362
41 H SER 5 HN SER 5 -3.152 7.282 -2.907
42 HA SER 5 HA SER 5 -4.308 9.319 -4.660
43 HB2 SER 5 HB2 SER 5 -4.402 9.324 -1.586
44 HB3 SER 5 HB1 SER 5 -4.850 10.736 -2.626
45 HG SER 5 HG SER 5 -6.133 8.665 -3.583
46 H ARG 6 HN ARG 6 -1.521 8.301 -4.584
47 HA ARG 6 HA ARG 6 -0.419 10.869 -3.995
48 HB2 ARG 6 HB2 ARG 6 0.155 9.649 -1.958
49 HB3 ARG 6 HB1 ARG 6 0.618 8.202 -2.917
50 HG2 ARG 6 HG2 ARG 6 2.534 9.668 -1.979
51 HG3 ARG 6 HG1 ARG 6 2.613 9.196 -3.710
52 HD2 ARG 6 HD2 ARG 6 3.196 11.615 -3.464
53 HD3 ARG 6 HD1 ARG 6 1.611 11.445 -4.347
54 HE ARG 6 HE ARG 6 0.498 12.368 -2.454
55 HH11 ARG 6 HH11 ARG 6 3.909 11.629 -1.719
56 HH12 ARG 6 HH12 ARG 6 3.922 12.468 -0.204
57 HH21 ARG 6 HH21 ARG 6 0.520 13.502 -0.396
58 HH22 ARG 6 HH22 ARG 6 1.962 13.549 0.560
59 H ILE 7 HN ILE 7 -1.424 9.222 -6.236
60 HA ILE 7 HA ILE 7 1.067 9.252 -7.738
61 HB ILE 7 HB ILE 7 -1.357 7.673 -8.559
62 HG12 ILE 7 HG12 ILE 7 0.092 5.743 -7.302
63 HG13 ILE 7 HG11 ILE 7 0.579 7.149 -6.287
64 HG21 ILE 7 HG21 ILE 7 1.701 7.518 -9.017
65 HG22 ILE 7 HG22 ILE 7 0.417 7.881 -10.232
66 HG23 ILE 7 HG23 ILE 7 0.563 6.220 -9.542
67 HD11 ILE 7 HD11 ILE 7 -2.193 7.483 -6.441
68 HD12 ILE 7 HD12 ILE 7 -1.294 6.719 -5.078
69 HD13 ILE 7 HD13 ILE 7 -2.020 5.689 -6.374
70 H ILE 8 HN ILE 8 -1.729 10.647 -6.911
71 HA ILE 8 HA ILE 8 -2.032 11.930 -9.497
72 HB ILE 8 HB ILE 8 -4.087 11.895 -7.278
73 HG12 ILE 8 HG12 ILE 8 -5.092 10.007 -8.963
74 HG13 ILE 8 HG11 ILE 8 -3.332 9.712 -9.200
75 HG21 ILE 8 HG21 ILE 8 -5.602 12.166 -9.426
76 HG22 ILE 8 HG22 ILE 8 -4.061 12.459 -10.316
77 HG23 ILE 8 HG23 ILE 8 -4.551 13.562 -8.974
78 HD11 ILE 8 HD11 ILE 8 -5.007 9.406 -6.650
79 HD12 ILE 8 HD12 ILE 8 -3.239 9.762 -6.519
80 HD13 ILE 8 HD13 ILE 8 -3.804 8.277 -7.378
81 H LEU 9 HN LEU 9 -0.178 12.059 -7.624
82 HA LEU 9 HA LEU 9 -0.146 14.791 -6.991
83 HB2 LEU 9 HB2 LEU 9 -0.017 12.557 -4.980
84 HB3 LEU 9 HB1 LEU 9 1.207 13.860 -4.858
85 HG LEU 9 HG LEU 9 -0.528 14.448 -3.343
86 HD11 LEU 9 HD11 LEU 9 -0.409 16.614 -3.995
87 HD12 LEU 9 HD12 LEU 9 -1.693 16.332 -5.230
88 HD13 LEU 9 HD13 LEU 9 0.045 16.100 -5.667
89 HD21 LEU 9 HD21 LEU 9 -2.194 12.922 -5.009
90 HD22 LEU 9 HD22 LEU 9 -2.835 14.601 -5.217
91 HD23 LEU 9 HD23 LEU 9 -2.718 13.878 -3.566
92 H DAS 10 HN DAS 10 0.832 11.504 -7.101
93 HA DAS 10 HA DAS 10 2.664 10.553 -7.736
94 HB2 DAS 10 HB2 DAS 10 4.165 13.172 -7.979
95 HB3 DAS 10 HB1 DAS 10 3.897 12.414 -6.363
96 H PHE 11 HN PHE 11 1.051 13.061 -9.134
97 HA PHE 11 HA PHE 11 2.264 12.592 -11.753
98 HB2 PHE 11 HB2 PHE 11 0.153 11.987 -12.550
99 HB3 PHE 11 HB1 PHE 11 -0.461 12.119 -10.847
100 HD1 PHE 11 HD1 PHE 11 0.092 13.971 -13.978
101 HD2 PHE 11 HD2 PHE 11 -1.551 13.892 -10.099
102 HE1 PHE 11 HE1 PHE 11 -0.956 16.106 -14.392
103 HE2 PHE 11 HE2 PHE 11 -2.613 15.974 -10.462
104 HZ PHE 11 HZ PHE 11 -2.387 17.147 -12.648
105 H LEU 12 HN LEU 12 0.944 14.632 -9.159
106 HA LEU 12 HA LEU 12 0.581 16.973 -10.612
107 HB2 LEU 12 HB2 LEU 12 0.957 16.128 -7.825
108 HB3 LEU 12 HB1 LEU 12 1.449 17.829 -8.113
109 HG LEU 12 HG LEU 12 -0.680 17.964 -7.385
110 HD11 LEU 12 HD11 LEU 12 -1.302 17.761 -10.372
111 HD12 LEU 12 HD12 LEU 12 -0.277 19.074 -9.687
112 HD13 LEU 12 HD13 LEU 12 -1.993 18.897 -9.154
113 HD21 LEU 12 HD21 LEU 12 -1.568 15.915 -7.106
114 HD22 LEU 12 HD22 LEU 12 -1.017 15.329 -8.714
115 HD23 LEU 12 HD23 LEU 12 -2.504 16.359 -8.582
116 H PHE 13 HN PHE 13 3.404 15.863 -8.716
117 HA PHE 13 HA PHE 13 4.694 18.307 -9.350
118 HB2 PHE 13 HB2 PHE 13 6.281 15.959 -8.264
119 HB3 PHE 13 HB1 PHE 13 6.338 17.709 -7.771
120 HD1 PHE 13 HD1 PHE 13 5.451 14.634 -6.741
121 HD2 PHE 13 HD2 PHE 13 3.917 18.543 -7.181
122 HE1 PHE 13 HE1 PHE 13 3.669 14.116 -5.221
123 HE2 PHE 13 HE2 PHE 13 2.150 18.036 -5.653
124 HZ PHE 13 HZ PHE 13 2.004 15.823 -4.681
125 H LEU 14 HN LEU 14 3.759 15.940 -11.155
126 HA LEU 14 HA LEU 14 6.252 15.663 -12.607
127 HB2 LEU 14 HB2 LEU 14 3.802 13.864 -12.539
128 HB3 LEU 14 HB1 LEU 14 5.252 13.576 -13.577
129 HG LEU 14 HG LEU 14 5.034 13.450 -10.507
130 HD11 LEU 14 HD11 LEU 14 5.594 11.153 -10.730
131 HD12 LEU 14 HD12 LEU 14 6.318 11.367 -12.369
132 HD13 LEU 14 HD13 LEU 14 4.528 11.440 -12.158
133 HD21 LEU 14 HD21 LEU 14 7.113 14.539 -10.598
134 HD22 LEU 14 HD22 LEU 14 7.527 13.891 -12.230
135 HD23 LEU 14 HD23 LEU 14 7.638 12.824 -10.780
136 H ARG 15 HN ARG 15 3.137 17.167 -12.710
137 HA ARG 15 HA ARG 15 2.636 16.629 -15.441
138 HB2 ARG 15 HB2 ARG 15 0.985 18.434 -15.354
139 HB3 ARG 15 HB1 ARG 15 0.770 17.223 -14.033
140 HG2 ARG 15 HG2 ARG 15 2.413 19.022 -12.775
141 HG3 ARG 15 HG1 ARG 15 1.558 20.120 -13.908
142 HD2 ARG 15 HD2 ARG 15 0.066 18.098 -12.167
143 HD3 ARG 15 HD1 ARG 15 0.460 19.776 -11.586
144 HE ARG 15 HE ARG 15 -1.504 19.024 -13.700
145 HH11 ARG 15 HH11 ARG 15 0.473 21.558 -12.153
146 HH12 ARG 15 HH12 ARG 15 -0.508 22.872 -12.708
147 HH21 ARG 15 HH21 ARG 15 -2.832 20.812 -14.449
148 HH22 ARG 15 HH22 ARG 15 -2.419 22.441 -14.033
149 H LYS 16 HN LYS 16 4.057 19.248 -13.553
150 HA LYS 16 HA LYS 16 5.796 20.021 -15.565
151 HB2 LYS 16 HB2 LYS 16 4.713 22.037 -16.393
152 HB3 LYS 16 HB1 LYS 16 3.615 20.629 -16.657
153 HG2 LYS 16 HG2 LYS 16 1.989 21.528 -15.434
154 HG3 LYS 16 HG1 LYS 16 3.083 21.780 -14.031
155 HD2 LYS 16 HD2 LYS 16 3.884 23.902 -14.967
156 HD3 LYS 16 HD1 LYS 16 2.935 23.646 -16.470
157 HE2 LYS 16 HE2 LYS 16 1.577 23.793 -13.704
158 HE3 LYS 16 HE1 LYS 16 1.913 25.271 -14.699
159 HZ1 LYS 16 HZ1 LYS 16 0.730 24.026 -16.533
160 HZ2 LYS 16 HZ2 LYS 16 -0.215 24.603 -15.246
161 HZ3 LYS 16 HZ3 LYS 16 0.183 22.954 -15.336
162 H LYS 17 HN LYS 17 5.599 19.376 -12.795
163 HA LYS 17 HA LYS 17 6.329 21.950 -11.636
164 HB2 LYS 17 HB2 LYS 17 4.361 19.854 -10.584
165 HB3 LYS 17 HB1 LYS 17 5.282 20.899 -9.430
166 HG2 LYS 17 HG2 LYS 17 4.370 22.944 -10.572
167 HG3 LYS 17 HG1 LYS 17 3.438 21.892 -11.693
168 HD2 LYS 17 HD2 LYS 17 2.188 20.926 -9.765
169 HD3 LYS 17 HD1 LYS 17 3.143 21.938 -8.628
170 HE2 LYS 17 HE2 LYS 17 2.208 24.019 -9.679
171 HE3 LYS 17 HE1 LYS 17 1.255 23.002 -10.837
172 HZ1 LYS 17 HZ1 LYS 17 1.039 22.805 -7.880
173 HZ2 LYS 17 HZ2 LYS 17 0.035 22.097 -9.051
174 HZ3 LYS 17 HZ3 LYS 17 0.044 23.782 -8.848
Start of MODEL 15
1 H1 ALA 1 HT1 ALA 1 -1.946 6.262 4.845
2 H2 ALA 1 HT2 ALA 1 -2.448 5.141 6.020
3 H3 ALA 1 HT3 ALA 1 -3.259 5.230 4.530
4 HA ALA 1 HA ALA 1 -0.481 4.799 4.187
5 HB1 ALA 1 HB1 ALA 1 -0.421 2.443 5.070
6 HB2 ALA 1 HB2 ALA 1 -2.093 2.660 5.715
7 HB3 ALA 1 HB3 ALA 1 -0.729 3.620 6.403
8 H MET 2 HN MET 2 -2.392 5.517 2.349
9 HA MET 2 HA MET 2 -2.835 2.962 0.967
10 HB2 MET 2 HB2 MET 2 -4.649 5.447 1.001
11 HB3 MET 2 HB1 MET 2 -4.833 4.082 -0.155
12 HG2 MET 2 HG2 MET 2 -5.105 2.521 1.851
13 HG3 MET 2 HG1 MET 2 -5.129 3.970 2.905
14 HE1 MET 2 HE1 MET 2 -6.731 6.201 1.452
15 HE2 MET 2 HE2 MET 2 -6.737 5.620 3.153
16 HE3 MET 2 HE3 MET 2 -8.289 5.846 2.276
17 H ARG 3 HN ARG 3 -2.123 2.964 -1.207
18 HA ARG 3 HA ARG 3 -0.931 5.495 -1.984
19 HB2 ARG 3 HB2 ARG 3 0.307 3.118 -2.013
20 HB3 ARG 3 HB1 ARG 3 -0.592 2.937 -3.557
21 HG2 ARG 3 HG2 ARG 3 0.491 5.536 -3.712
22 HG3 ARG 3 HG1 ARG 3 1.792 4.575 -2.923
23 HD2 ARG 3 HD2 ARG 3 0.343 3.572 -5.447
24 HD3 ARG 3 HD1 ARG 3 1.813 4.645 -5.532
25 HE ARG 3 HE ARG 3 2.420 2.489 -3.753
26 HH11 ARG 3 HH11 ARG 3 1.585 3.075 -7.164
27 HH12 ARG 3 HH12 ARG 3 2.476 1.723 -7.777
28 HH21 ARG 3 HH21 ARG 3 3.635 0.648 -4.584
29 HH22 ARG 3 HH22 ARG 3 3.662 0.319 -6.283
30 H ILE 4 HN ILE 4 -3.205 6.157 -2.164
31 HA ILE 4 HA ILE 4 -4.152 5.442 -4.836
32 HB ILE 4 HB ILE 4 -6.342 6.275 -4.049
33 HG12 ILE 4 HG12 ILE 4 -4.958 6.236 -1.307
34 HG13 ILE 4 HG11 ILE 4 -5.442 7.703 -2.231
35 HG21 ILE 4 HG21 ILE 4 -5.954 3.848 -4.149
36 HG22 ILE 4 HG22 ILE 4 -6.792 4.175 -2.585
37 HG23 ILE 4 HG23 ILE 4 -5.009 3.882 -2.611
38 HD11 ILE 4 HD11 ILE 4 -7.263 5.607 -0.914
39 HD12 ILE 4 HD12 ILE 4 -7.873 6.728 -2.190
40 HD13 ILE 4 HD13 ILE 4 -7.210 7.391 -0.648
41 H SER 5 HN SER 5 -2.936 7.746 -2.613
42 HA SER 5 HA SER 5 -3.754 9.863 -4.469
43 HB2 SER 5 HB2 SER 5 -3.530 11.488 -2.535
44 HB3 SER 5 HB1 SER 5 -4.831 10.262 -2.261
45 HG SER 5 HG SER 5 -2.230 10.416 -1.170
46 H ARG 6 HN ARG 6 -1.336 8.133 -4.769
47 HA ARG 6 HA ARG 6 0.421 10.365 -4.750
48 HB2 ARG 6 HB2 ARG 6 1.090 9.255 -2.658
49 HB3 ARG 6 HB1 ARG 6 1.120 7.666 -3.498
50 HG2 ARG 6 HG2 ARG 6 3.393 8.887 -3.106
51 HG3 ARG 6 HG1 ARG 6 3.064 8.184 -4.721
52 HD2 ARG 6 HD2 ARG 6 4.039 10.452 -5.006
53 HD3 ARG 6 HD1 ARG 6 2.294 10.490 -5.528
54 HE ARG 6 HE ARG 6 1.793 11.831 -3.620
55 HH11 ARG 6 HH11 ARG 6 5.119 10.549 -3.475
56 HH12 ARG 6 HH12 ARG 6 5.614 11.564 -2.162
57 HH21 ARG 6 HH21 ARG 6 2.471 13.206 -1.836
58 HH22 ARG 6 HH22 ARG 6 4.084 13.098 -1.216
59 H ILE 7 HN ILE 7 -1.116 9.494 -6.682
60 HA ILE 7 HA ILE 7 0.842 8.395 -8.483
61 HB ILE 7 HB ILE 7 -2.077 7.693 -8.827
62 HG12 ILE 7 HG12 ILE 7 -1.121 5.393 -7.704
63 HG13 ILE 7 HG11 ILE 7 -0.128 6.588 -6.799
64 HG21 ILE 7 HG21 ILE 7 0.585 6.328 -9.639
65 HG22 ILE 7 HG22 ILE 7 -0.426 7.379 -10.703
66 HG23 ILE 7 HG23 ILE 7 -1.070 5.796 -10.122
67 HD11 ILE 7 HD11 ILE 7 -2.077 6.263 -5.457
68 HD12 ILE 7 HD12 ILE 7 -3.187 6.359 -6.878
69 HD13 ILE 7 HD13 ILE 7 -2.337 7.840 -6.290
70 H ILE 8 HN ILE 8 -2.178 9.999 -7.741
71 HA ILE 8 HA ILE 8 -2.127 11.606 -10.067
72 HB ILE 8 HB ILE 8 -3.350 12.384 -7.390
73 HG12 ILE 8 HG12 ILE 8 -5.412 11.013 -8.351
74 HG13 ILE 8 HG11 ILE 8 -4.131 10.078 -9.198
75 HG21 ILE 8 HG21 ILE 8 -4.058 12.775 -10.377
76 HG22 ILE 8 HG22 ILE 8 -3.599 14.032 -9.166
77 HG23 ILE 8 HG23 ILE 8 -5.192 13.194 -9.038
78 HD11 ILE 8 HD11 ILE 8 -3.784 8.880 -7.289
79 HD12 ILE 8 HD12 ILE 8 -4.962 9.906 -6.384
80 HD13 ILE 8 HD13 ILE 8 -3.218 10.386 -6.469
81 H LEU 9 HN LEU 9 -1.042 11.746 -6.670
82 HA LEU 9 HA LEU 9 -0.035 14.297 -7.169
83 HB2 LEU 9 HB2 LEU 9 0.416 12.171 -5.099
84 HB3 LEU 9 HB1 LEU 9 1.449 13.636 -5.153
85 HG LEU 9 HG LEU 9 -0.450 13.877 -3.530
86 HD11 LEU 9 HD11 LEU 9 0.188 15.720 -5.788
87 HD12 LEU 9 HD12 LEU 9 -0.004 16.066 -4.023
88 HD13 LEU 9 HD13 LEU 9 -1.455 16.007 -5.094
89 HD21 LEU 9 HD21 LEU 9 -2.359 14.017 -5.931
90 HD22 LEU 9 HD22 LEU 9 -2.742 13.820 -4.175
91 HD23 LEU 9 HD23 LEU 9 -2.022 12.447 -5.103
92 H DAS 10 HN DAS 10 0.794 11.026 -7.646
93 HA DAS 10 HA DAS 10 2.565 10.094 -8.446
94 HB2 DAS 10 HB2 DAS 10 4.129 12.670 -8.447
95 HB3 DAS 10 HB1 DAS 10 3.811 11.809 -6.894
96 H PHE 11 HN PHE 11 0.858 12.647 -9.587
97 HA PHE 11 HA PHE 11 2.122 12.486 -12.245
98 HB2 PHE 11 HB2 PHE 11 -0.013 12.047 -13.112
99 HB3 PHE 11 HB1 PHE 11 -0.640 12.051 -11.405
100 HD1 PHE 11 HD1 PHE 11 0.220 14.341 -14.229
101 HD2 PHE 11 HD2 PHE 11 -1.921 13.641 -10.692
102 HE1 PHE 11 HE1 PHE 11 -0.744 16.559 -14.360
103 HE2 PHE 11 HE2 PHE 11 -2.797 15.786 -10.696
104 HZ PHE 11 HZ PHE 11 -2.320 17.333 -12.602
105 H LEU 12 HN LEU 12 0.887 14.315 -9.466
106 HA LEU 12 HA LEU 12 0.651 16.795 -10.681
107 HB2 LEU 12 HB2 LEU 12 0.891 15.618 -8.030
108 HB3 LEU 12 HB1 LEU 12 1.547 17.288 -8.069
109 HG LEU 12 HG LEU 12 -0.542 17.672 -7.454
110 HD11 LEU 12 HD11 LEU 12 -0.064 18.615 -9.863
111 HD12 LEU 12 HD12 LEU 12 -1.727 18.760 -9.172
112 HD13 LEU 12 HD13 LEU 12 -1.355 17.470 -10.373
113 HD21 LEU 12 HD21 LEU 12 -2.569 16.309 -8.182
114 HD22 LEU 12 HD22 LEU 12 -1.304 15.439 -7.225
115 HD23 LEU 12 HD23 LEU 12 -1.397 15.218 -9.008
116 H PHE 13 HN PHE 13 3.458 15.453 -8.872
117 HA PHE 13 HA PHE 13 4.804 17.915 -9.360
118 HB2 PHE 13 HB2 PHE 13 6.324 15.455 -8.432
119 HB3 PHE 13 HB1 PHE 13 6.474 17.178 -7.864
120 HD1 PHE 13 HD1 PHE 13 5.359 14.081 -7.058
121 HD2 PHE 13 HD2 PHE 13 4.205 18.140 -7.120
122 HE1 PHE 13 HE1 PHE 13 3.570 13.601 -5.550
123 HE2 PHE 13 HE2 PHE 13 2.428 17.670 -5.586
124 HZ PHE 13 HZ PHE 13 2.100 15.410 -4.791
125 H LEU 14 HN LEU 14 3.799 15.789 -11.331
126 HA LEU 14 HA LEU 14 6.285 15.556 -12.802
127 HB2 LEU 14 HB2 LEU 14 3.780 13.834 -12.926
128 HB3 LEU 14 HB1 LEU 14 5.230 13.609 -13.980
129 HG LEU 14 HG LEU 14 4.969 13.171 -10.940
130 HD11 LEU 14 HD11 LEU 14 4.442 11.354 -12.789
131 HD12 LEU 14 HD12 LEU 14 5.516 10.895 -11.413
132 HD13 LEU 14 HD13 LEU 14 6.228 11.281 -13.024
133 HD21 LEU 14 HD21 LEU 14 7.488 13.780 -12.563
134 HD22 LEU 14 HD22 LEU 14 7.576 12.503 -11.292
135 HD23 LEU 14 HD23 LEU 14 7.077 14.179 -10.851
136 H ARG 15 HN ARG 15 3.351 17.286 -12.684
137 HA ARG 15 HA ARG 15 2.922 17.127 -15.529
138 HB2 ARG 15 HB2 ARG 15 1.198 18.915 -15.112
139 HB3 ARG 15 HB1 ARG 15 0.902 17.288 -14.402
140 HG2 ARG 15 HG2 ARG 15 0.969 18.058 -12.271
141 HG3 ARG 15 HG1 ARG 15 2.400 19.095 -12.590
142 HD2 ARG 15 HD2 ARG 15 0.712 20.682 -12.127
143 HD3 ARG 15 HD1 ARG 15 0.681 20.587 -13.946
144 HE ARG 15 HE ARG 15 -1.140 18.627 -12.893
145 HH11 ARG 15 HH11 ARG 15 -0.658 22.145 -13.155
146 HH12 ARG 15 HH12 ARG 15 -2.346 22.532 -13.191
147 HH21 ARG 15 HH21 ARG 15 -3.441 19.152 -12.943
148 HH22 ARG 15 HH22 ARG 15 -3.954 20.801 -13.067
149 H LYS 16 HN LYS 16 4.445 19.161 -13.137
150 HA LYS 16 HA LYS 16 5.930 20.589 -14.882
151 HB2 LYS 16 HB2 LYS 16 4.738 22.711 -15.239
152 HB3 LYS 16 HB1 LYS 16 3.700 21.369 -15.841
153 HG2 LYS 16 HG2 LYS 16 2.080 22.399 -14.651
154 HG3 LYS 16 HG1 LYS 16 2.789 21.486 -13.280
155 HD2 LYS 16 HD2 LYS 16 2.862 23.559 -12.288
156 HD3 LYS 16 HD1 LYS 16 4.391 23.719 -13.221
157 HE2 LYS 16 HE2 LYS 16 3.175 24.912 -15.054
158 HE3 LYS 16 HE1 LYS 16 1.612 24.713 -14.156
159 HZ1 LYS 16 HZ1 LYS 16 3.149 26.834 -13.958
160 HZ2 LYS 16 HZ2 LYS 16 3.842 25.917 -12.709
161 HZ3 LYS 16 HZ3 LYS 16 2.182 26.274 -12.680
162 H LYS 17 HN LYS 17 3.920 20.335 -12.026
163 HA LYS 17 HA LYS 17 5.083 22.326 -10.491
164 HB2 LYS 17 HB2 LYS 17 3.746 19.649 -9.838
165 HB3 LYS 17 HB1 LYS 17 4.304 20.784 -8.543
166 HG2 LYS 17 HG2 LYS 17 2.846 22.588 -9.524
167 HG3 LYS 17 HG1 LYS 17 2.275 21.427 -10.774
168 HD2 LYS 17 HD2 LYS 17 1.352 19.951 -8.981
169 HD3 LYS 17 HD1 LYS 17 1.936 21.099 -7.729
170 HE2 LYS 17 HE2 LYS 17 0.436 22.889 -8.657
171 HE3 LYS 17 HE1 LYS 17 -0.152 21.732 -9.924
172 HZ1 LYS 17 HZ1 LYS 17 -0.652 20.272 -7.863
173 HZ2 LYS 17 HZ2 LYS 17 -1.705 21.528 -8.308
174 HZ3 LYS 17 HZ3 LYS 17 -0.618 21.745 -7.021
Start of MODEL 16
1 H1 ALA 1 HT1 ALA 1 -0.443 5.035 3.271
2 H2 ALA 1 HT2 ALA 1 -0.185 5.163 4.946
3 H3 ALA 1 HT3 ALA 1 -1.215 6.261 4.159
4 HA ALA 1 HA ALA 1 -1.750 3.676 5.205
5 HB1 ALA 1 HB1 ALA 1 -3.519 5.953 4.113
6 HB2 ALA 1 HB2 ALA 1 -3.046 5.710 5.837
7 HB3 ALA 1 HB3 ALA 1 -4.140 4.525 5.027
8 H MET 2 HN MET 2 -2.422 5.320 2.026
9 HA MET 2 HA MET 2 -2.527 2.668 0.846
10 HB2 MET 2 HB2 MET 2 -4.964 3.549 1.451
11 HB3 MET 2 HB1 MET 2 -4.660 4.742 0.134
12 HG2 MET 2 HG2 MET 2 -5.880 2.876 -0.808
13 HG3 MET 2 HG1 MET 2 -4.209 2.844 -1.450
14 HE1 MET 2 HE1 MET 2 -4.267 0.520 -2.334
15 HE2 MET 2 HE2 MET 2 -6.018 0.548 -1.923
16 HE3 MET 2 HE3 MET 2 -5.018 -0.883 -1.496
17 H ARG 3 HN ARG 3 -1.556 2.725 -1.242
18 HA ARG 3 HA ARG 3 -0.665 5.382 -1.961
19 HB2 ARG 3 HB2 ARG 3 0.841 3.193 -1.841
20 HB3 ARG 3 HB1 ARG 3 0.120 2.884 -3.456
21 HG2 ARG 3 HG2 ARG 3 0.833 5.488 -3.804
22 HG3 ARG 3 HG1 ARG 3 2.060 5.020 -2.573
23 HD2 ARG 3 HD2 ARG 3 1.537 3.323 -5.084
24 HD3 ARG 3 HD1 ARG 3 2.747 4.683 -5.056
25 HE ARG 3 HE ARG 3 3.245 2.998 -2.788
26 HH11 ARG 3 HH11 ARG 3 3.310 2.936 -6.348
27 HH12 ARG 3 HH12 ARG 3 4.591 1.776 -6.459
28 HH21 ARG 3 HH21 ARG 3 4.989 1.420 -2.937
29 HH22 ARG 3 HH22 ARG 3 5.562 0.900 -4.486
30 H ILE 4 HN ILE 4 -2.960 5.814 -2.400
31 HA ILE 4 HA ILE 4 -3.459 5.117 -5.198
32 HB ILE 4 HB ILE 4 -5.843 5.619 -4.662
33 HG12 ILE 4 HG12 ILE 4 -4.797 5.436 -1.784
34 HG13 ILE 4 HG11 ILE 4 -5.337 6.934 -2.616
35 HG21 ILE 4 HG21 ILE 4 -4.270 3.252 -3.500
36 HG22 ILE 4 HG22 ILE 4 -5.350 3.296 -4.947
37 HG23 ILE 4 HG23 ILE 4 -6.062 3.325 -3.288
38 HD11 ILE 4 HD11 ILE 4 -7.253 6.306 -1.360
39 HD12 ILE 4 HD12 ILE 4 -7.028 4.547 -1.694
40 HD13 ILE 4 HD13 ILE 4 -7.616 5.647 -2.999
41 H SER 5 HN SER 5 -2.892 7.404 -2.708
42 HA SER 5 HA SER 5 -3.888 9.518 -4.470
43 HB2 SER 5 HB2 SER 5 -3.865 11.032 -2.452
44 HB3 SER 5 HB1 SER 5 -4.953 9.610 -2.204
45 HG SER 5 HG SER 5 -2.437 10.191 -1.114
46 H ARG 6 HN ARG 6 -1.211 7.946 -4.500
47 HA ARG 6 HA ARG 6 0.295 10.394 -4.518
48 HB2 ARG 6 HB2 ARG 6 1.112 9.196 -2.537
49 HB3 ARG 6 HB1 ARG 6 1.184 7.661 -3.470
50 HG2 ARG 6 HG2 ARG 6 3.413 8.965 -3.054
51 HG3 ARG 6 HG1 ARG 6 3.082 8.322 -4.696
52 HD2 ARG 6 HD2 ARG 6 3.945 10.643 -4.898
53 HD3 ARG 6 HD1 ARG 6 2.184 10.628 -5.367
54 HE ARG 6 HE ARG 6 1.684 11.853 -3.382
55 HH11 ARG 6 HH11 ARG 6 5.067 10.721 -3.400
56 HH12 ARG 6 HH12 ARG 6 5.558 11.693 -2.055
57 HH21 ARG 6 HH21 ARG 6 2.356 13.170 -1.553
58 HH22 ARG 6 HH22 ARG 6 3.992 13.107 -0.988
59 H ILE 7 HN ILE 7 -1.309 9.416 -6.411
60 HA ILE 7 HA ILE 7 0.640 8.528 -8.352
61 HB ILE 7 HB ILE 7 -2.053 8.030 -9.248
62 HG12 ILE 7 HG12 ILE 7 -2.453 7.966 -6.732
63 HG13 ILE 7 HG11 ILE 7 -2.926 6.494 -7.647
64 HG21 ILE 7 HG21 ILE 7 -1.085 5.613 -9.353
65 HG22 ILE 7 HG22 ILE 7 0.431 6.299 -8.655
66 HG23 ILE 7 HG23 ILE 7 -0.173 6.885 -10.251
67 HD11 ILE 7 HD11 ILE 7 -0.122 6.468 -6.552
68 HD12 ILE 7 HD12 ILE 7 -1.378 5.172 -6.560
69 HD13 ILE 7 HD13 ILE 7 -1.438 6.482 -5.318
70 H ILE 8 HN ILE 8 -2.247 10.231 -7.396
71 HA ILE 8 HA ILE 8 -2.285 11.889 -9.669
72 HB ILE 8 HB ILE 8 -3.371 12.461 -6.872
73 HG12 ILE 8 HG12 ILE 8 -5.536 11.416 -8.012
74 HG13 ILE 8 HG11 ILE 8 -4.324 10.540 -9.012
75 HG21 ILE 8 HG21 ILE 8 -3.459 14.374 -8.425
76 HG22 ILE 8 HG22 ILE 8 -5.129 13.710 -8.266
77 HG23 ILE 8 HG23 ILE 8 -4.151 13.347 -9.738
78 HD11 ILE 8 HD11 ILE 8 -4.004 9.044 -7.323
79 HD12 ILE 8 HD12 ILE 8 -5.185 9.930 -6.286
80 HD13 ILE 8 HD13 ILE 8 -3.429 10.373 -6.243
81 H LEU 9 HN LEU 9 -1.074 12.031 -6.307
82 HA LEU 9 HA LEU 9 -0.045 14.559 -6.898
83 HB2 LEU 9 HB2 LEU 9 0.339 12.495 -4.770
84 HB3 LEU 9 HB1 LEU 9 1.515 13.846 -4.914
85 HG LEU 9 HG LEU 9 -0.319 14.319 -3.245
86 HD11 LEU 9 HD11 LEU 9 -1.121 16.529 -4.759
87 HD12 LEU 9 HD12 LEU 9 0.403 16.041 -5.596
88 HD13 LEU 9 HD13 LEU 9 0.420 16.414 -3.827
89 HD21 LEU 9 HD21 LEU 9 -2.211 14.517 -5.670
90 HD22 LEU 9 HD22 LEU 9 -2.622 14.619 -3.913
91 HD23 LEU 9 HD23 LEU 9 -2.100 13.047 -4.630
92 H DAS 10 HN DAS 10 0.710 11.274 -7.371
93 HA DAS 10 HA DAS 10 2.469 10.306 -8.178
94 HB2 DAS 10 HB2 DAS 10 4.101 12.828 -8.374
95 HB3 DAS 10 HB1 DAS 10 3.773 12.143 -6.741
96 H PHE 11 HN PHE 11 0.746 12.858 -9.311
97 HA PHE 11 HA PHE 11 1.902 12.616 -12.014
98 HB2 PHE 11 HB2 PHE 11 -0.281 12.224 -12.786
99 HB3 PHE 11 HB1 PHE 11 -0.842 12.287 -11.059
100 HD1 PHE 11 HD1 PHE 11 -0.028 14.468 -13.974
101 HD2 PHE 11 HD2 PHE 11 -2.025 13.952 -10.321
102 HE1 PHE 11 HE1 PHE 11 -0.911 16.715 -14.127
103 HE2 PHE 11 HE2 PHE 11 -2.822 16.126 -10.351
104 HZ PHE 11 HZ PHE 11 -2.372 17.604 -12.323
105 H LEU 12 HN LEU 12 0.832 14.530 -9.229
106 HA LEU 12 HA LEU 12 0.593 16.990 -10.470
107 HB2 LEU 12 HB2 LEU 12 0.947 15.850 -7.817
108 HB3 LEU 12 HB1 LEU 12 1.648 17.499 -7.917
109 HG LEU 12 HG LEU 12 -0.396 17.933 -7.182
110 HD11 LEU 12 HD11 LEU 12 -1.330 17.777 -10.070
111 HD12 LEU 12 HD12 LEU 12 0.001 18.890 -9.588
112 HD13 LEU 12 HD13 LEU 12 -1.635 19.059 -8.839
113 HD21 LEU 12 HD21 LEU 12 -2.502 16.631 -7.896
114 HD22 LEU 12 HD22 LEU 12 -1.261 15.772 -6.899
115 HD23 LEU 12 HD23 LEU 12 -1.350 15.486 -8.674
116 H PHE 13 HN PHE 13 3.461 15.614 -8.795
117 HA PHE 13 HA PHE 13 4.843 18.031 -9.402
118 HB2 PHE 13 HB2 PHE 13 6.357 15.565 -8.493
119 HB3 PHE 13 HB1 PHE 13 6.551 17.293 -7.957
120 HD1 PHE 13 HD1 PHE 13 5.470 14.226 -7.030
121 HD2 PHE 13 HD2 PHE 13 4.301 18.279 -7.146
122 HE1 PHE 13 HE1 PHE 13 3.752 13.784 -5.427
123 HE2 PHE 13 HE2 PHE 13 2.597 17.845 -5.523
124 HZ PHE 13 HZ PHE 13 2.314 15.606 -4.656
125 H LEU 14 HN LEU 14 3.693 15.902 -11.288
126 HA LEU 14 HA LEU 14 6.115 15.546 -12.838
127 HB2 LEU 14 HB2 LEU 14 3.553 13.908 -12.820
128 HB3 LEU 14 HB1 LEU 14 4.946 13.613 -13.931
129 HG LEU 14 HG LEU 14 4.807 13.245 -10.875
130 HD11 LEU 14 HD11 LEU 14 4.144 11.408 -12.652
131 HD12 LEU 14 HD12 LEU 14 5.276 10.943 -11.324
132 HD13 LEU 14 HD13 LEU 14 5.914 11.279 -12.977
133 HD21 LEU 14 HD21 LEU 14 7.269 13.753 -12.613
134 HD22 LEU 14 HD22 LEU 14 7.377 12.491 -11.330
135 HD23 LEU 14 HD23 LEU 14 6.945 14.186 -10.892
136 H ARG 15 HN ARG 15 3.182 17.319 -12.686
137 HA ARG 15 HA ARG 15 2.544 17.062 -15.439
138 HB2 ARG 15 HB2 ARG 15 1.036 18.945 -15.149
139 HB3 ARG 15 HB1 ARG 15 0.774 17.659 -13.909
140 HG2 ARG 15 HG2 ARG 15 2.486 19.183 -12.502
141 HG3 ARG 15 HG1 ARG 15 1.898 20.452 -13.625
142 HD2 ARG 15 HD2 ARG 15 -0.050 18.620 -12.148
143 HD3 ARG 15 HD1 ARG 15 0.583 20.155 -11.394
144 HE ARG 15 HE ARG 15 -0.377 20.688 -14.080
145 HH11 ARG 15 HH11 ARG 15 -1.466 19.901 -10.782
146 HH12 ARG 15 HH12 ARG 15 -3.006 20.676 -10.941
147 HH21 ARG 15 HH21 ARG 15 -2.468 21.740 -14.296
148 HH22 ARG 15 HH22 ARG 15 -3.585 21.739 -12.974
149 H LYS 16 HN LYS 16 4.569 19.069 -13.443
150 HA LYS 16 HA LYS 16 6.059 20.134 -15.407
151 HB2 LYS 16 HB2 LYS 16 5.086 22.290 -15.994
152 HB3 LYS 16 HB1 LYS 16 3.798 21.061 -16.250
153 HG2 LYS 16 HG2 LYS 16 2.498 22.447 -15.056
154 HG3 LYS 16 HG1 LYS 16 3.304 21.707 -13.640
155 HD2 LYS 16 HD2 LYS 16 3.696 23.921 -13.104
156 HD3 LYS 16 HD1 LYS 16 5.132 23.657 -14.154
157 HE2 LYS 16 HE2 LYS 16 3.908 24.638 -16.107
158 HE3 LYS 16 HE1 LYS 16 2.437 24.873 -15.072
159 HZ1 LYS 16 HZ1 LYS 16 3.337 26.629 -14.098
160 HZ2 LYS 16 HZ2 LYS 16 4.372 26.676 -15.443
161 HZ3 LYS 16 HZ3 LYS 16 4.894 25.961 -13.994
162 H LYS 17 HN LYS 17 4.258 20.347 -12.426
163 HA LYS 17 HA LYS 17 5.652 22.335 -11.128
164 HB2 LYS 17 HB2 LYS 17 4.262 19.771 -10.173
165 HB3 LYS 17 HB1 LYS 17 4.952 20.986 -9.021
166 HG2 LYS 17 HG2 LYS 17 3.485 22.758 -10.031
167 HG3 LYS 17 HG1 LYS 17 2.792 21.534 -11.153
168 HD2 LYS 17 HD2 LYS 17 1.963 20.215 -9.189
169 HD3 LYS 17 HD1 LYS 17 2.650 21.444 -8.074
170 HE2 LYS 17 HE2 LYS 17 0.476 22.021 -10.201
171 HE3 LYS 17 HE1 LYS 17 0.168 21.752 -8.435
172 HZ1 LYS 17 HZ1 LYS 17 0.486 23.898 -8.230
173 HZ2 LYS 17 HZ2 LYS 17 1.091 24.074 -9.807
174 HZ3 LYS 17 HZ3 LYS 17 2.137 23.647 -8.539
Start of MODEL 17
1 H1 ALA 1 HT1 ALA 1 -0.791 5.132 4.451
2 H2 ALA 1 HT2 ALA 1 -0.349 5.151 2.811
3 H3 ALA 1 HT3 ALA 1 0.784 4.693 3.991
4 HA ALA 1 HA ALA 1 0.231 2.630 3.581
5 HB1 ALA 1 HB1 ALA 1 -1.007 2.951 5.727
6 HB2 ALA 1 HB2 ALA 1 -1.917 1.813 4.662
7 HB3 ALA 1 HB3 ALA 1 -2.448 3.532 4.812
8 H MET 2 HN MET 2 -2.658 4.648 2.668
9 HA MET 2 HA MET 2 -3.160 2.747 0.523
10 HB2 MET 2 HB2 MET 2 -4.745 4.878 1.926
11 HB3 MET 2 HB1 MET 2 -4.995 4.806 0.146
12 HG2 MET 2 HG2 MET 2 -6.672 3.394 1.070
13 HG3 MET 2 HG1 MET 2 -5.425 2.290 0.411
14 HE1 MET 2 HE1 MET 2 -5.874 4.399 3.890
15 HE2 MET 2 HE2 MET 2 -6.776 3.087 4.721
16 HE3 MET 2 HE3 MET 2 -7.376 3.737 3.157
17 H ARG 3 HN ARG 3 -1.398 3.144 -0.945
18 HA ARG 3 HA ARG 3 -1.081 5.912 -1.710
19 HB2 ARG 3 HB2 ARG 3 0.837 4.053 -1.459
20 HB3 ARG 3 HB1 ARG 3 0.323 3.652 -3.131
21 HG2 ARG 3 HG2 ARG 3 0.520 6.410 -3.283
22 HG3 ARG 3 HG1 ARG 3 1.809 6.033 -2.087
23 HD2 ARG 3 HD2 ARG 3 2.846 4.412 -3.687
24 HD3 ARG 3 HD1 ARG 3 1.522 4.755 -4.887
25 HE ARG 3 HE ARG 3 2.803 7.229 -4.044
26 HH11 ARG 3 HH11 ARG 3 3.238 4.291 -6.012
27 HH12 ARG 3 HH12 ARG 3 4.280 5.039 -7.175
28 HH21 ARG 3 HH21 ARG 3 4.214 8.248 -5.630
29 HH22 ARG 3 HH22 ARG 3 4.845 7.327 -6.954
30 H ILE 4 HN ILE 4 -3.354 5.894 -2.339
31 HA ILE 4 HA ILE 4 -3.534 4.948 -5.101
32 HB ILE 4 HB ILE 4 -5.981 5.099 -4.768
33 HG12 ILE 4 HG12 ILE 4 -5.169 5.428 -1.825
34 HG13 ILE 4 HG11 ILE 4 -5.902 6.689 -2.875
35 HG21 ILE 4 HG21 ILE 4 -4.318 3.172 -3.004
36 HG22 ILE 4 HG22 ILE 4 -4.870 2.895 -4.702
37 HG23 ILE 4 HG23 ILE 4 -6.073 2.927 -3.356
38 HD11 ILE 4 HD11 ILE 4 -7.197 4.196 -1.680
39 HD12 ILE 4 HD12 ILE 4 -7.843 4.876 -3.221
40 HD13 ILE 4 HD13 ILE 4 -7.799 5.896 -1.733
41 H SER 5 HN SER 5 -3.544 7.502 -2.788
42 HA SER 5 HA SER 5 -4.494 9.285 -4.907
43 HB2 SER 5 HB2 SER 5 -4.844 9.624 -1.868
44 HB3 SER 5 HB1 SER 5 -5.264 10.883 -3.097
45 HG SER 5 HG SER 5 -6.392 8.681 -3.911
46 H ARG 6 HN ARG 6 -1.725 8.402 -4.580
47 HA ARG 6 HA ARG 6 -0.704 11.015 -4.043
48 HB2 ARG 6 HB2 ARG 6 -0.208 9.921 -1.933
49 HB3 ARG 6 HB1 ARG 6 0.268 8.412 -2.779
50 HG2 ARG 6 HG2 ARG 6 2.177 9.861 -1.840
51 HG3 ARG 6 HG1 ARG 6 2.319 9.338 -3.551
52 HD2 ARG 6 HD2 ARG 6 2.942 11.745 -3.372
53 HD3 ARG 6 HD1 ARG 6 1.368 11.596 -4.279
54 HE ARG 6 HE ARG 6 0.252 12.606 -2.436
55 HH11 ARG 6 HH11 ARG 6 3.614 11.758 -1.600
56 HH12 ARG 6 HH12 ARG 6 3.627 12.642 -0.111
57 HH21 ARG 6 HH21 ARG 6 0.274 13.806 -0.414
58 HH22 ARG 6 HH22 ARG 6 1.696 13.824 0.574
59 H ILE 7 HN ILE 7 -1.536 9.224 -6.281
60 HA ILE 7 HA ILE 7 1.045 9.296 -7.624
61 HB ILE 7 HB ILE 7 -1.266 7.616 -8.558
62 HG12 ILE 7 HG12 ILE 7 0.149 5.773 -7.142
63 HG13 ILE 7 HG11 ILE 7 0.521 7.223 -6.141
64 HG21 ILE 7 HG21 ILE 7 0.630 7.852 -10.100
65 HG22 ILE 7 HG22 ILE 7 0.746 6.204 -9.375
66 HG23 ILE 7 HG23 ILE 7 1.822 7.527 -8.784
67 HD11 ILE 7 HD11 ILE 7 -1.437 6.887 -5.070
68 HD12 ILE 7 HD12 ILE 7 -1.968 5.644 -6.270
69 HD13 ILE 7 HD13 ILE 7 -2.273 7.393 -6.582
70 H ILE 8 HN ILE 8 -1.818 10.641 -7.014
71 HA ILE 8 HA ILE 8 -1.998 11.837 -9.653
72 HB ILE 8 HB ILE 8 -4.170 11.825 -7.548
73 HG12 ILE 8 HG12 ILE 8 -5.054 9.884 -9.239
74 HG13 ILE 8 HG11 ILE 8 -3.278 9.615 -9.379
75 HG21 ILE 8 HG21 ILE 8 -3.964 12.359 -10.580
76 HG22 ILE 8 HG22 ILE 8 -4.611 13.435 -9.283
77 HG23 ILE 8 HG23 ILE 8 -5.556 11.992 -9.813
78 HD11 ILE 8 HD11 ILE 8 -3.340 9.732 -6.691
79 HD12 ILE 8 HD12 ILE 8 -3.802 8.214 -7.553
80 HD13 ILE 8 HD13 ILE 8 -5.085 9.312 -6.922
81 H LEU 9 HN LEU 9 -0.252 12.061 -7.688
82 HA LEU 9 HA LEU 9 -0.305 14.814 -7.146
83 HB2 LEU 9 HB2 LEU 9 -0.237 12.648 -5.058
84 HB3 LEU 9 HB1 LEU 9 0.954 13.978 -4.918
85 HG LEU 9 HG LEU 9 -0.871 14.574 -3.513
86 HD11 LEU 9 HD11 LEU 9 -1.965 16.384 -5.507
87 HD12 LEU 9 HD12 LEU 9 -0.205 16.167 -5.855
88 HD13 LEU 9 HD13 LEU 9 -0.745 16.721 -4.222
89 HD21 LEU 9 HD21 LEU 9 -3.074 14.629 -5.516
90 HD22 LEU 9 HD22 LEU 9 -3.038 13.963 -3.837
91 HD23 LEU 9 HD23 LEU 9 -2.419 12.970 -5.217
92 H DAS 10 HN DAS 10 0.741 11.547 -7.103
93 HA DAS 10 HA DAS 10 2.621 10.614 -7.612
94 HB2 DAS 10 HB2 DAS 10 4.057 13.275 -7.841
95 HB3 DAS 10 HB1 DAS 10 3.770 12.506 -6.234
96 H PHE 11 HN PHE 11 1.043 13.053 -9.168
97 HA PHE 11 HA PHE 11 2.394 12.527 -11.706
98 HB2 PHE 11 HB2 PHE 11 0.339 11.851 -12.589
99 HB3 PHE 11 HB1 PHE 11 -0.365 12.025 -10.925
100 HD1 PHE 11 HD1 PHE 11 0.316 13.787 -14.082
101 HD2 PHE 11 HD2 PHE 11 -1.524 13.797 -10.292
102 HE1 PHE 11 HE1 PHE 11 -0.747 15.888 -14.617
103 HE2 PHE 11 HE2 PHE 11 -2.604 15.845 -10.776
104 HZ PHE 11 HZ PHE 11 -2.285 16.954 -12.983
105 H LEU 12 HN LEU 12 0.897 14.614 -9.246
106 HA LEU 12 HA LEU 12 0.571 16.905 -10.784
107 HB2 LEU 12 HB2 LEU 12 0.814 16.149 -7.957
108 HB3 LEU 12 HB1 LEU 12 1.289 17.850 -8.271
109 HG LEU 12 HG LEU 12 -0.877 17.964 -7.659
110 HD11 LEU 12 HD11 LEU 12 -0.376 19.019 -9.963
111 HD12 LEU 12 HD12 LEU 12 -2.115 18.814 -9.524
112 HD13 LEU 12 HD13 LEU 12 -1.330 17.664 -10.669
113 HD21 LEU 12 HD21 LEU 12 -2.605 16.288 -8.902
114 HD22 LEU 12 HD22 LEU 12 -1.739 15.906 -7.364
115 HD23 LEU 12 HD23 LEU 12 -1.099 15.286 -8.927
116 H PHE 13 HN PHE 13 3.309 15.906 -8.708
117 HA PHE 13 HA PHE 13 4.586 18.355 -9.347
118 HB2 PHE 13 HB2 PHE 13 6.155 16.071 -8.112
119 HB3 PHE 13 HB1 PHE 13 6.156 17.834 -7.668
120 HD1 PHE 13 HD1 PHE 13 5.271 14.773 -6.597
121 HD2 PHE 13 HD2 PHE 13 3.694 18.639 -7.228
122 HE1 PHE 13 HE1 PHE 13 3.419 14.263 -5.160
123 HE2 PHE 13 HE2 PHE 13 1.858 18.140 -5.779
124 HZ PHE 13 HZ PHE 13 1.700 15.954 -4.753
125 H LEU 14 HN LEU 14 3.791 15.919 -11.128
126 HA LEU 14 HA LEU 14 6.363 15.652 -12.437
127 HB2 LEU 14 HB2 LEU 14 3.944 13.807 -12.450
128 HB3 LEU 14 HB1 LEU 14 5.454 13.520 -13.401
129 HG LEU 14 HG LEU 14 5.076 13.479 -10.344
130 HD11 LEU 14 HD11 LEU 14 6.480 11.362 -12.076
131 HD12 LEU 14 HD12 LEU 14 4.681 11.413 -11.955
132 HD13 LEU 14 HD13 LEU 14 5.680 11.184 -10.469
133 HD21 LEU 14 HD21 LEU 14 7.698 12.886 -10.464
134 HD22 LEU 14 HD22 LEU 14 7.141 14.597 -10.363
135 HD23 LEU 14 HD23 LEU 14 7.648 13.907 -11.951
136 H ARG 15 HN ARG 15 3.228 17.089 -12.748
137 HA ARG 15 HA ARG 15 2.896 16.476 -15.491
138 HB2 ARG 15 HB2 ARG 15 1.193 18.232 -15.538
139 HB3 ARG 15 HB1 ARG 15 0.939 17.047 -14.199
140 HG2 ARG 15 HG2 ARG 15 2.456 18.919 -12.896
141 HG3 ARG 15 HG1 ARG 15 1.649 19.965 -14.108
142 HD2 ARG 15 HD2 ARG 15 0.106 17.957 -12.394
143 HD3 ARG 15 HD1 ARG 15 0.412 19.669 -11.857
144 HE ARG 15 HE ARG 15 -1.399 18.773 -14.046
145 HH11 ARG 15 HH11 ARG 15 0.421 21.428 -12.512
146 HH12 ARG 15 HH12 ARG 15 -0.549 22.689 -13.197
147 HH21 ARG 15 HH21 ARG 15 -2.712 20.489 -14.972
148 HH22 ARG 15 HH22 ARG 15 -2.358 22.145 -14.617
149 H LYS 16 HN LYS 16 4.141 19.169 -13.581
150 HA LYS 16 HA LYS 16 5.965 19.954 -15.516
151 HB2 LYS 16 HB2 LYS 16 4.873 21.925 -16.434
152 HB3 LYS 16 HB1 LYS 16 3.830 20.483 -16.731
153 HG2 LYS 16 HG2 LYS 16 2.117 21.349 -15.603
154 HG3 LYS 16 HG1 LYS 16 3.132 21.667 -14.155
155 HD2 LYS 16 HD2 LYS 16 3.941 23.782 -15.156
156 HD3 LYS 16 HD1 LYS 16 2.977 23.470 -16.641
157 HE2 LYS 16 HE2 LYS 16 0.853 23.616 -15.327
158 HE3 LYS 16 HE1 LYS 16 1.803 23.855 -13.800
159 HZ1 LYS 16 HZ1 LYS 16 1.386 25.670 -16.068
160 HZ2 LYS 16 HZ2 LYS 16 2.835 25.781 -15.191
161 HZ3 LYS 16 HZ3 LYS 16 1.345 25.968 -14.398
162 H LYS 17 HN LYS 17 5.635 19.358 -12.741
163 HA LYS 17 HA LYS 17 6.239 21.974 -11.604
164 HB2 LYS 17 HB2 LYS 17 4.253 19.863 -10.620
165 HB3 LYS 17 HB1 LYS 17 5.084 20.950 -9.438
166 HG2 LYS 17 HG2 LYS 17 4.204 22.950 -10.678
167 HG3 LYS 17 HG1 LYS 17 3.357 21.856 -11.826
168 HD2 LYS 17 HD2 LYS 17 2.055 20.884 -9.906
169 HD3 LYS 17 HD1 LYS 17 2.880 22.021 -8.786
170 HE2 LYS 17 HE2 LYS 17 1.126 22.880 -11.187
171 HE3 LYS 17 HE1 LYS 17 0.586 22.834 -9.457
172 HZ1 LYS 17 HZ1 LYS 17 1.288 24.920 -9.502
173 HZ2 LYS 17 HZ2 LYS 17 2.313 24.704 -10.839
174 HZ3 LYS 17 HZ3 LYS 17 2.835 24.253 -9.288
Start of MODEL 18
1 H1 ALA 1 HT1 ALA 1 -3.167 5.830 4.530
2 H2 ALA 1 HT2 ALA 1 -3.462 4.598 5.661
3 H3 ALA 1 HT3 ALA 1 -4.036 4.443 4.071
4 HA ALA 1 HA ALA 1 -1.237 4.900 4.160
5 HB1 ALA 1 HB1 ALA 1 -2.338 2.331 5.463
6 HB2 ALA 1 HB2 ALA 1 -1.458 3.642 6.336
7 HB3 ALA 1 HB3 ALA 1 -0.600 2.654 5.095
8 H MET 2 HN MET 2 -2.994 5.043 2.039
9 HA MET 2 HA MET 2 -2.422 2.510 0.662
10 HB2 MET 2 HB2 MET 2 -4.832 4.378 0.234
11 HB3 MET 2 HB1 MET 2 -4.449 2.929 -0.762
12 HG2 MET 2 HG2 MET 2 -4.739 1.458 1.226
13 HG3 MET 2 HG1 MET 2 -5.087 2.889 2.248
14 HE1 MET 2 HE1 MET 2 -8.497 1.135 2.205
15 HE2 MET 2 HE2 MET 2 -7.221 1.952 3.170
16 HE3 MET 2 HE3 MET 2 -6.841 0.441 2.273
17 H ARG 3 HN ARG 3 -1.406 2.773 -1.381
18 HA ARG 3 HA ARG 3 -0.805 5.543 -1.966
19 HB2 ARG 3 HB2 ARG 3 0.969 3.577 -1.868
20 HB3 ARG 3 HB1 ARG 3 0.308 3.184 -3.492
21 HG2 ARG 3 HG2 ARG 3 0.681 5.877 -3.792
22 HG3 ARG 3 HG1 ARG 3 1.972 5.524 -2.589
23 HD2 ARG 3 HD2 ARG 3 1.573 3.991 -5.232
24 HD3 ARG 3 HD1 ARG 3 2.791 5.316 -4.978
25 HE ARG 3 HE ARG 3 2.932 2.544 -3.931
26 HH11 ARG 3 HH11 ARG 3 4.026 5.928 -3.665
27 HH12 ARG 3 HH12 ARG 3 5.502 5.544 -2.843
28 HH21 ARG 3 HH21 ARG 3 4.937 2.029 -2.816
29 HH22 ARG 3 HH22 ARG 3 6.027 3.292 -2.353
30 H ILE 4 HN ILE 4 -3.134 5.676 -2.447
31 HA ILE 4 HA ILE 4 -3.503 4.939 -5.253
32 HB ILE 4 HB ILE 4 -5.922 5.184 -4.765
33 HG12 ILE 4 HG12 ILE 4 -4.929 5.222 -1.860
34 HG13 ILE 4 HG11 ILE 4 -5.641 6.608 -2.759
35 HG21 ILE 4 HG21 ILE 4 -4.241 3.043 -3.293
36 HG22 ILE 4 HG22 ILE 4 -4.956 2.931 -4.949
37 HG23 ILE 4 HG23 ILE 4 -6.031 2.911 -3.499
38 HD11 ILE 4 HD11 ILE 4 -7.726 5.019 -3.128
39 HD12 ILE 4 HD12 ILE 4 -7.485 5.786 -1.512
40 HD13 ILE 4 HD13 ILE 4 -7.026 4.060 -1.769
41 H SER 5 HN SER 5 -3.246 7.299 -2.768
42 HA SER 5 HA SER 5 -4.250 9.290 -4.667
43 HB2 SER 5 HB2 SER 5 -4.320 9.414 -1.592
44 HB3 SER 5 HB1 SER 5 -4.778 10.778 -2.688
45 HG SER 5 HG SER 5 -6.101 8.732 -3.564
46 H ARG 6 HN ARG 6 -1.520 8.235 -4.637
47 HA ARG 6 HA ARG 6 -0.293 10.736 -3.983
48 HB2 ARG 6 HB2 ARG 6 0.310 9.409 -2.040
49 HB3 ARG 6 HB1 ARG 6 0.612 7.967 -3.065
50 HG2 ARG 6 HG2 ARG 6 2.688 9.197 -2.177
51 HG3 ARG 6 HG1 ARG 6 2.642 8.860 -3.942
52 HD2 ARG 6 HD2 ARG 6 3.429 11.197 -3.565
53 HD3 ARG 6 HD1 ARG 6 1.778 11.228 -4.334
54 HE ARG 6 HE ARG 6 0.885 12.081 -2.299
55 HH11 ARG 6 HH11 ARG 6 4.258 11.001 -1.881
56 HH12 ARG 6 HH12 ARG 6 4.450 11.710 -0.312
57 HH21 ARG 6 HH21 ARG 6 1.151 13.041 -0.168
58 HH22 ARG 6 HH22 ARG 6 2.653 12.888 0.676
59 H ILE 7 HN ILE 7 -1.421 9.134 -6.288
60 HA ILE 7 HA ILE 7 1.045 9.212 -7.832
61 HB ILE 7 HB ILE 7 -1.422 7.704 -8.664
62 HG12 ILE 7 HG12 ILE 7 0.070 5.711 -7.558
63 HG13 ILE 7 HG11 ILE 7 0.597 7.067 -6.497
64 HG21 ILE 7 HG21 ILE 7 1.611 7.600 -9.261
65 HG22 ILE 7 HG22 ILE 7 0.260 7.958 -10.404
66 HG23 ILE 7 HG23 ILE 7 0.482 6.286 -9.765
67 HD11 ILE 7 HD11 ILE 7 -1.901 5.542 -6.412
68 HD12 ILE 7 HD12 ILE 7 -2.251 7.294 -6.662
69 HD13 ILE 7 HD13 ILE 7 -1.258 6.768 -5.253
70 H ILE 8 HN ILE 8 -1.642 10.662 -6.876
71 HA ILE 8 HA ILE 8 -1.991 12.043 -9.404
72 HB ILE 8 HB ILE 8 -3.933 12.019 -7.085
73 HG12 ILE 8 HG12 ILE 8 -5.136 10.303 -8.812
74 HG13 ILE 8 HG11 ILE 8 -3.412 9.935 -9.188
75 HG21 ILE 8 HG21 ILE 8 -5.526 12.493 -9.156
76 HG22 ILE 8 HG22 ILE 8 -4.001 12.802 -10.069
77 HG23 ILE 8 HG23 ILE 8 -4.411 13.809 -8.628
78 HD11 ILE 8 HD11 ILE 8 -4.979 9.426 -6.628
79 HD12 ILE 8 HD12 ILE 8 -3.232 9.870 -6.461
80 HD13 ILE 8 HD13 ILE 8 -3.712 8.429 -7.435
81 H LEU 9 HN LEU 9 -0.038 12.025 -7.653
82 HA LEU 9 HA LEU 9 0.167 14.732 -6.936
83 HB2 LEU 9 HB2 LEU 9 0.314 12.424 -5.011
84 HB3 LEU 9 HB1 LEU 9 1.612 13.657 -4.932
85 HG LEU 9 HG LEU 9 0.008 14.272 -3.284
86 HD11 LEU 9 HD11 LEU 9 0.222 16.450 -3.866
87 HD12 LEU 9 HD12 LEU 9 -1.164 16.293 -5.010
88 HD13 LEU 9 HD13 LEU 9 0.519 15.980 -5.586
89 HD21 LEU 9 HD21 LEU 9 -2.394 14.616 -5.012
90 HD22 LEU 9 HD22 LEU 9 -2.224 13.842 -3.389
91 HD23 LEU 9 HD23 LEU 9 -1.839 12.901 -4.883
92 H DAS 10 HN DAS 10 0.982 11.410 -7.218
93 HA DAS 10 HA DAS 10 2.727 10.397 -7.999
94 HB2 DAS 10 HB2 DAS 10 4.279 12.998 -8.218
95 HB3 DAS 10 HB1 DAS 10 4.176 12.084 -6.666
96 H PHE 11 HN PHE 11 1.154 13.035 -9.206
97 HA PHE 11 HA PHE 11 2.153 12.599 -11.918
98 HB2 PHE 11 HB2 PHE 11 -0.030 12.098 -12.580
99 HB3 PHE 11 HB1 PHE 11 -0.521 12.204 -10.837
100 HD1 PHE 11 HD1 PHE 11 -0.142 14.101 -13.958
101 HD2 PHE 11 HD2 PHE 11 -1.449 14.014 -9.956
102 HE1 PHE 11 HE1 PHE 11 -1.137 16.280 -14.251
103 HE2 PHE 11 HE2 PHE 11 -2.455 16.140 -10.192
104 HZ PHE 11 HZ PHE 11 -2.373 17.343 -12.374
105 H LEU 12 HN LEU 12 1.109 14.601 -9.172
106 HA LEU 12 HA LEU 12 0.768 17.009 -10.520
107 HB2 LEU 12 HB2 LEU 12 1.273 16.045 -7.793
108 HB3 LEU 12 HB1 LEU 12 1.838 17.728 -8.057
109 HG LEU 12 HG LEU 12 -0.229 17.959 -7.200
110 HD11 LEU 12 HD11 LEU 12 0.112 19.037 -9.574
111 HD12 LEU 12 HD12 LEU 12 -1.535 19.067 -8.833
112 HD13 LEU 12 HD13 LEU 12 -1.138 17.857 -10.109
113 HD21 LEU 12 HD21 LEU 12 -0.793 15.381 -8.569
114 HD22 LEU 12 HD22 LEU 12 -2.210 16.481 -8.303
115 HD23 LEU 12 HD23 LEU 12 -1.195 15.942 -6.910
116 H PHE 13 HN PHE 13 3.653 15.697 -8.852
117 HA PHE 13 HA PHE 13 5.013 18.104 -9.492
118 HB2 PHE 13 HB2 PHE 13 6.555 15.644 -8.602
119 HB3 PHE 13 HB1 PHE 13 6.732 17.369 -8.053
120 HD1 PHE 13 HD1 PHE 13 5.762 14.301 -7.073
121 HD2 PHE 13 HD2 PHE 13 4.403 18.294 -7.268
122 HE1 PHE 13 HE1 PHE 13 4.056 13.810 -5.458
123 HE2 PHE 13 HE2 PHE 13 2.715 17.813 -5.645
124 HZ PHE 13 HZ PHE 13 2.520 15.574 -4.746
125 H LEU 14 HN LEU 14 3.838 15.866 -11.306
126 HA LEU 14 HA LEU 14 6.197 15.536 -12.956
127 HB2 LEU 14 HB2 LEU 14 3.683 13.834 -12.761
128 HB3 LEU 14 HB1 LEU 14 5.043 13.525 -13.910
129 HG LEU 14 HG LEU 14 5.047 13.311 -10.836
130 HD11 LEU 14 HD11 LEU 14 4.316 11.381 -12.508
131 HD12 LEU 14 HD12 LEU 14 5.450 10.998 -11.158
132 HD13 LEU 14 HD13 LEU 14 6.083 11.219 -12.832
133 HD21 LEU 14 HD21 LEU 14 7.588 12.559 -11.349
134 HD22 LEU 14 HD22 LEU 14 7.167 14.286 -11.048
135 HD23 LEU 14 HD23 LEU 14 7.413 13.698 -12.736
136 H ARG 15 HN ARG 15 3.156 17.173 -12.754
137 HA ARG 15 HA ARG 15 2.532 16.793 -15.522
138 HB2 ARG 15 HB2 ARG 15 0.881 18.695 -15.101
139 HB3 ARG 15 HB1 ARG 15 0.591 17.103 -14.314
140 HG2 ARG 15 HG2 ARG 15 0.796 17.954 -12.226
141 HG3 ARG 15 HG1 ARG 15 2.255 18.904 -12.656
142 HD2 ARG 15 HD2 ARG 15 0.927 20.742 -12.450
143 HD3 ARG 15 HD1 ARG 15 0.205 20.232 -14.043
144 HE ARG 15 HE ARG 15 -1.100 18.781 -11.926
145 HH11 ARG 15 HH11 ARG 15 -0.722 22.063 -13.255
146 HH12 ARG 15 HH12 ARG 15 -2.289 22.611 -12.761
147 HH21 ARG 15 HH21 ARG 15 -3.234 19.526 -11.251
148 HH22 ARG 15 HH22 ARG 15 -3.740 21.144 -11.603
149 H LYS 16 HN LYS 16 3.819 19.334 -13.407
150 HA LYS 16 HA LYS 16 5.440 20.364 -15.414
151 HB2 LYS 16 HB2 LYS 16 4.225 22.424 -15.952
152 HB3 LYS 16 HB1 LYS 16 3.263 20.972 -16.420
153 HG2 LYS 16 HG2 LYS 16 1.581 21.448 -15.018
154 HG3 LYS 16 HG1 LYS 16 2.683 21.831 -13.651
155 HD2 LYS 16 HD2 LYS 16 3.111 24.069 -14.571
156 HD3 LYS 16 HD1 LYS 16 2.105 23.707 -16.014
157 HE2 LYS 16 HE2 LYS 16 0.066 23.509 -14.577
158 HE3 LYS 16 HE1 LYS 16 1.070 23.798 -13.095
159 HZ1 LYS 16 HZ1 LYS 16 0.556 25.897 -13.456
160 HZ2 LYS 16 HZ2 LYS 16 0.075 25.645 -15.065
161 HZ3 LYS 16 HZ3 LYS 16 1.717 25.870 -14.695
162 H LYS 17 HN LYS 17 5.480 19.508 -12.720
163 HA LYS 17 HA LYS 17 6.137 22.036 -11.427
164 HB2 LYS 17 HB2 LYS 17 4.206 19.872 -10.503
165 HB3 LYS 17 HB1 LYS 17 5.232 20.680 -9.256
166 HG2 LYS 17 HG2 LYS 17 3.639 22.355 -11.263
167 HG3 LYS 17 HG1 LYS 17 2.826 21.641 -9.825
168 HD2 LYS 17 HD2 LYS 17 4.488 22.776 -8.327
169 HD3 LYS 17 HD1 LYS 17 5.293 23.494 -9.764
170 HE2 LYS 17 HE2 LYS 17 2.321 23.975 -9.059
171 HE3 LYS 17 HE1 LYS 17 3.676 25.075 -8.566
172 HZ1 LYS 17 HZ1 LYS 17 3.957 24.541 -11.282
173 HZ2 LYS 17 HZ2 LYS 17 3.516 25.997 -10.525
174 HZ3 LYS 17 HZ3 LYS 17 2.318 24.900 -11.021
Start of MODEL 19
1 H1 ALA 1 HT1 ALA 1 -0.157 5.404 4.633
2 H2 ALA 1 HT2 ALA 1 -1.574 6.262 4.258
3 H3 ALA 1 HT3 ALA 1 -0.723 5.450 3.032
4 HA ALA 1 HA ALA 1 -1.231 3.545 4.916
5 HB1 ALA 1 HB1 ALA 1 -3.766 3.668 5.125
6 HB2 ALA 1 HB2 ALA 1 -3.702 5.303 4.361
7 HB3 ALA 1 HB3 ALA 1 -2.932 5.029 5.969
8 H MET 2 HN MET 2 -2.815 5.223 2.099
9 HA MET 2 HA MET 2 -2.605 2.645 0.705
10 HB2 MET 2 HB2 MET 2 -4.831 4.750 0.407
11 HB3 MET 2 HB1 MET 2 -4.659 3.265 -0.594
12 HG2 MET 2 HG2 MET 2 -4.985 1.842 1.421
13 HG3 MET 2 HG1 MET 2 -5.114 3.303 2.450
14 HE1 MET 2 HE1 MET 2 -7.111 1.079 2.634
15 HE2 MET 2 HE2 MET 2 -8.689 1.939 2.645
16 HE3 MET 2 HE3 MET 2 -7.280 2.636 3.515
17 H ARG 3 HN ARG 3 -1.702 2.809 -1.400
18 HA ARG 3 HA ARG 3 -0.869 5.513 -2.031
19 HB2 ARG 3 HB2 ARG 3 0.717 3.371 -2.000
20 HB3 ARG 3 HB1 ARG 3 -0.029 3.076 -3.606
21 HG2 ARG 3 HG2 ARG 3 0.606 5.768 -3.789
22 HG3 ARG 3 HG1 ARG 3 1.941 5.158 -2.748
23 HD2 ARG 3 HD2 ARG 3 1.124 3.750 -5.360
24 HD3 ARG 3 HD1 ARG 3 2.371 5.076 -5.307
25 HE ARG 3 HE ARG 3 3.052 3.153 -3.297
26 HH11 ARG 3 HH11 ARG 3 2.715 3.435 -6.830
27 HH12 ARG 3 HH12 ARG 3 3.932 2.259 -7.197
28 HH21 ARG 3 HH21 ARG 3 4.709 1.551 -3.792
29 HH22 ARG 3 HH22 ARG 3 5.084 1.168 -5.438
30 H ILE 4 HN ILE 4 -3.199 5.838 -2.398
31 HA ILE 4 HA ILE 4 -3.773 5.122 -5.174
32 HB ILE 4 HB ILE 4 -6.133 5.567 -4.567
33 HG12 ILE 4 HG12 ILE 4 -4.995 5.554 -1.714
34 HG13 ILE 4 HG11 ILE 4 -5.636 6.985 -2.596
35 HG21 ILE 4 HG21 ILE 4 -6.370 3.325 -3.275
36 HG22 ILE 4 HG22 ILE 4 -4.569 3.311 -3.140
37 HG23 ILE 4 HG23 ILE 4 -5.354 3.240 -4.765
38 HD11 ILE 4 HD11 ILE 4 -7.185 4.544 -1.558
39 HD12 ILE 4 HD12 ILE 4 -7.868 5.627 -2.830
40 HD13 ILE 4 HD13 ILE 4 -7.454 6.292 -1.205
41 H SER 5 HN SER 5 -3.182 7.465 -2.736
42 HA SER 5 HA SER 5 -4.135 9.524 -4.582
43 HB2 SER 5 HB2 SER 5 -4.420 11.046 -2.574
44 HB3 SER 5 HB1 SER 5 -5.518 9.612 -2.517
45 HG SER 5 HG SER 5 -3.128 10.119 -1.102
46 H ARG 6 HN ARG 6 -1.479 8.220 -4.654
47 HA ARG 6 HA ARG 6 -0.037 10.639 -4.136
48 HB2 ARG 6 HB2 ARG 6 0.582 9.309 -2.205
49 HB3 ARG 6 HB1 ARG 6 0.709 7.829 -3.211
50 HG2 ARG 6 HG2 ARG 6 2.922 8.917 -2.473
51 HG3 ARG 6 HG1 ARG 6 2.749 8.531 -4.217
52 HD2 ARG 6 HD2 ARG 6 3.737 10.803 -3.983
53 HD3 ARG 6 HD1 ARG 6 2.042 10.954 -4.638
54 HE ARG 6 HE ARG 6 1.371 11.932 -2.570
55 HH11 ARG 6 HH11 ARG 6 4.668 10.585 -2.360
56 HH12 ARG 6 HH12 ARG 6 5.033 11.318 -0.835
57 HH21 ARG 6 HH21 ARG 6 1.872 12.924 -0.497
58 HH22 ARG 6 HH22 ARG 6 3.417 12.669 0.242
59 H ILE 7 HN ILE 7 -1.414 9.188 -6.358
60 HA ILE 7 HA ILE 7 0.962 9.020 -8.032
61 HB ILE 7 HB ILE 7 -1.663 7.719 -8.720
62 HG12 ILE 7 HG12 ILE 7 -0.303 5.614 -7.663
63 HG13 ILE 7 HG11 ILE 7 0.398 6.924 -6.645
64 HG21 ILE 7 HG21 ILE 7 -0.057 7.806 -10.544
65 HG22 ILE 7 HG22 ILE 7 0.062 6.130 -9.887
66 HG23 ILE 7 HG23 ILE 7 1.316 7.355 -9.464
67 HD11 ILE 7 HD11 ILE 7 -2.378 7.466 -6.614
68 HD12 ILE 7 HD12 ILE 7 -1.403 6.716 -5.298
69 HD13 ILE 7 HD13 ILE 7 -2.272 5.670 -6.487
70 H ILE 8 HN ILE 8 -1.660 10.645 -7.006
71 HA ILE 8 HA ILE 8 -1.993 11.999 -9.547
72 HB ILE 8 HB ILE 8 -3.741 12.257 -7.084
73 HG12 ILE 8 HG12 ILE 8 -5.236 10.610 -8.628
74 HG13 ILE 8 HG11 ILE 8 -3.599 10.070 -9.149
75 HG21 ILE 8 HG21 ILE 8 -4.298 14.013 -8.578
76 HG22 ILE 8 HG22 ILE 8 -5.418 12.725 -9.164
77 HG23 ILE 8 HG23 ILE 8 -3.878 13.049 -10.045
78 HD11 ILE 8 HD11 ILE 8 -3.215 10.108 -6.412
79 HD12 ILE 8 HD12 ILE 8 -3.787 8.661 -7.327
80 HD13 ILE 8 HD13 ILE 8 -4.981 9.714 -6.480
81 H LEU 9 HN LEU 9 -0.234 11.744 -7.110
82 HA LEU 9 HA LEU 9 0.231 14.581 -6.849
83 HB2 LEU 9 HB2 LEU 9 0.593 12.209 -4.990
84 HB3 LEU 9 HB1 LEU 9 1.723 13.594 -4.880
85 HG LEU 9 HG LEU 9 -0.232 13.595 -3.234
86 HD11 LEU 9 HD11 LEU 9 0.795 15.789 -4.967
87 HD12 LEU 9 HD12 LEU 9 0.617 15.712 -3.172
88 HD13 LEU 9 HD13 LEU 9 -0.795 16.167 -4.201
89 HD21 LEU 9 HD21 LEU 9 -1.899 14.511 -5.654
90 HD22 LEU 9 HD22 LEU 9 -2.460 14.129 -3.979
91 HD23 LEU 9 HD23 LEU 9 -1.890 12.802 -5.068
92 H DAS 10 HN DAS 10 0.980 11.290 -7.317
93 HA DAS 10 HA DAS 10 2.734 10.255 -8.066
94 HB2 DAS 10 HB2 DAS 10 4.352 12.807 -8.349
95 HB3 DAS 10 HB1 DAS 10 4.150 12.029 -6.731
96 H PHE 11 HN PHE 11 1.202 12.946 -9.249
97 HA PHE 11 HA PHE 11 2.218 12.490 -11.957
98 HB2 PHE 11 HB2 PHE 11 0.046 12.022 -12.663
99 HB3 PHE 11 HB1 PHE 11 -0.464 12.129 -10.926
100 HD1 PHE 11 HD1 PHE 11 -0.066 14.051 -14.044
101 HD2 PHE 11 HD2 PHE 11 -1.348 13.926 -10.054
102 HE1 PHE 11 HE1 PHE 11 -1.067 16.240 -14.304
103 HE2 PHE 11 HE2 PHE 11 -2.358 16.039 -10.234
104 HZ PHE 11 HZ PHE 11 -2.293 17.276 -12.406
105 H LEU 12 HN LEU 12 1.202 14.448 -9.243
106 HA LEU 12 HA LEU 12 0.900 16.850 -10.603
107 HB2 LEU 12 HB2 LEU 12 1.668 16.012 -7.845
108 HB3 LEU 12 HB1 LEU 12 1.590 17.762 -8.261
109 HG LEU 12 HG LEU 12 -0.569 15.717 -8.502
110 HD11 LEU 12 HD11 LEU 12 -1.116 17.780 -6.573
111 HD12 LEU 12 HD12 LEU 12 0.515 17.050 -6.273
112 HD13 LEU 12 HD13 LEU 12 -0.941 15.994 -6.357
113 HD21 LEU 12 HD21 LEU 12 -0.738 17.528 -10.188
114 HD22 LEU 12 HD22 LEU 12 -0.622 18.759 -8.878
115 HD23 LEU 12 HD23 LEU 12 -2.059 17.669 -8.964
116 H PHE 13 HN PHE 13 3.779 15.437 -8.992
117 HA PHE 13 HA PHE 13 5.101 17.907 -9.521
118 HB2 PHE 13 HB2 PHE 13 6.666 15.449 -8.660
119 HB3 PHE 13 HB1 PHE 13 6.831 17.168 -8.091
120 HD1 PHE 13 HD1 PHE 13 6.015 14.146 -7.008
121 HD2 PHE 13 HD2 PHE 13 4.353 18.009 -7.440
122 HE1 PHE 13 HE1 PHE 13 4.314 13.616 -5.398
123 HE2 PHE 13 HE2 PHE 13 2.663 17.473 -5.846
124 HZ PHE 13 HZ PHE 13 2.638 15.296 -4.820
125 H LEU 14 HN LEU 14 3.920 15.826 -11.388
126 HA LEU 14 HA LEU 14 6.254 15.498 -13.066
127 HB2 LEU 14 HB2 LEU 14 3.744 13.782 -12.922
128 HB3 LEU 14 HB1 LEU 14 5.154 13.478 -14.010
129 HG LEU 14 HG LEU 14 5.055 13.308 -10.928
130 HD11 LEU 14 HD11 LEU 14 6.018 11.140 -12.895
131 HD12 LEU 14 HD12 LEU 14 4.265 11.362 -12.533
132 HD13 LEU 14 HD13 LEU 14 5.420 10.967 -11.202
133 HD21 LEU 14 HD21 LEU 14 7.227 14.099 -11.028
134 HD22 LEU 14 HD22 LEU 14 7.438 13.692 -12.773
135 HD23 LEU 14 HD23 LEU 14 7.594 12.404 -11.520
136 H ARG 15 HN ARG 15 3.294 17.191 -12.728
137 HA ARG 15 HA ARG 15 2.565 16.885 -15.501
138 HB2 ARG 15 HB2 ARG 15 0.873 18.684 -14.981
139 HB3 ARG 15 HB1 ARG 15 0.672 17.093 -14.159
140 HG2 ARG 15 HG2 ARG 15 0.956 17.981 -12.096
141 HG3 ARG 15 HG1 ARG 15 2.351 18.985 -12.612
142 HD2 ARG 15 HD2 ARG 15 0.916 20.744 -12.301
143 HD3 ARG 15 HD1 ARG 15 0.234 20.241 -13.914
144 HE ARG 15 HE ARG 15 -1.023 18.677 -11.852
145 HH11 ARG 15 HH11 ARG 15 -0.776 22.010 -13.078
146 HH12 ARG 15 HH12 ARG 15 -2.368 22.477 -12.583
147 HH21 ARG 15 HH21 ARG 15 -3.192 19.309 -11.177
148 HH22 ARG 15 HH22 ARG 15 -3.765 20.914 -11.483
149 H LYS 16 HN LYS 16 4.314 19.064 -13.402
150 HA LYS 16 HA LYS 16 5.576 20.402 -15.380
151 HB2 LYS 16 HB2 LYS 16 4.323 22.492 -15.715
152 HB3 LYS 16 HB1 LYS 16 3.245 21.109 -16.124
153 HG2 LYS 16 HG2 LYS 16 1.750 22.185 -14.817
154 HG3 LYS 16 HG1 LYS 16 2.626 21.362 -13.486
155 HD2 LYS 16 HD2 LYS 16 2.778 23.488 -12.626
156 HD3 LYS 16 HD1 LYS 16 4.182 23.616 -13.742
157 HE2 LYS 16 HE2 LYS 16 2.738 24.690 -15.476
158 HE3 LYS 16 HE1 LYS 16 1.291 24.511 -14.398
159 HZ1 LYS 16 HZ1 LYS 16 2.720 26.680 -14.476
160 HZ2 LYS 16 HZ2 LYS 16 3.673 25.855 -13.338
161 HZ3 LYS 16 HZ3 LYS 16 2.025 26.124 -13.030
162 H LYS 17 HN LYS 17 3.905 20.297 -12.305
163 HA LYS 17 HA LYS 17 5.216 22.378 -11.025
164 HB2 LYS 17 HB2 LYS 17 3.989 19.738 -10.071
165 HB3 LYS 17 HB1 LYS 17 4.664 20.959 -8.917
166 HG2 LYS 17 HG2 LYS 17 3.077 22.679 -9.834
167 HG3 LYS 17 HG1 LYS 17 2.400 21.446 -10.954
168 HD2 LYS 17 HD2 LYS 17 1.691 20.060 -8.999
169 HD3 LYS 17 HD1 LYS 17 2.385 21.279 -7.876
170 HE2 LYS 17 HE2 LYS 17 0.766 23.001 -8.733
171 HE3 LYS 17 HE1 LYS 17 0.069 21.773 -9.871
172 HZ1 LYS 17 HZ1 LYS 17 -0.545 22.229 -7.188
173 HZ2 LYS 17 HZ2 LYS 17 0.152 20.684 -7.289
174 HZ3 LYS 17 HZ3 LYS 17 -1.194 21.073 -8.250
Start of MODEL 20
1 H1 ALA 1 HT1 ALA 1 -0.205 5.931 3.536
2 H2 ALA 1 HT2 ALA 1 -1.881 5.655 3.536
3 H3 ALA 1 HT3 ALA 1 -1.017 5.640 2.073
4 HA ALA 1 HA ALA 1 0.330 3.789 3.285
5 HB1 ALA 1 HB1 ALA 1 -0.971 3.957 5.418
6 HB2 ALA 1 HB2 ALA 1 -1.235 2.344 4.654
7 HB3 ALA 1 HB3 ALA 1 -2.495 3.628 4.509
8 H MET 2 HN MET 2 -3.058 4.269 2.085
9 HA MET 2 HA MET 2 -3.142 1.800 0.732
10 HB2 MET 2 HB2 MET 2 -5.160 3.361 1.266
11 HB3 MET 2 HB1 MET 2 -4.589 4.380 -0.108
12 HG2 MET 2 HG2 MET 2 -6.347 2.927 -0.926
13 HG3 MET 2 HG1 MET 2 -4.792 2.391 -1.633
14 HE1 MET 2 HE1 MET 2 -6.580 1.658 2.024
15 HE2 MET 2 HE2 MET 2 -7.621 0.361 1.342
16 HE3 MET 2 HE3 MET 2 -7.650 2.008 0.623
17 H ARG 3 HN ARG 3 -2.145 5.120 -0.099
18 HA ARG 3 HA ARG 3 -1.057 5.974 -1.749
19 HB2 ARG 3 HB2 ARG 3 0.593 4.026 -1.120
20 HB3 ARG 3 HB1 ARG 3 0.021 3.310 -2.670
21 HG2 ARG 3 HG2 ARG 3 1.733 4.562 -3.554
22 HG3 ARG 3 HG1 ARG 3 0.463 5.837 -3.523
23 HD2 ARG 3 HD2 ARG 3 2.467 6.838 -2.578
24 HD3 ARG 3 HD1 ARG 3 1.367 6.493 -1.171
25 HE ARG 3 HE ARG 3 3.076 4.209 -1.621
26 HH11 ARG 3 HH11 ARG 3 3.127 7.600 -0.533
27 HH12 ARG 3 HH12 ARG 3 4.469 7.397 0.542
28 HH21 ARG 3 HH21 ARG 3 4.900 3.930 -0.158
29 HH22 ARG 3 HH22 ARG 3 5.495 5.273 0.759
30 H ILE 4 HN ILE 4 -3.411 6.007 -2.379
31 HA ILE 4 HA ILE 4 -3.442 5.070 -5.149
32 HB ILE 4 HB ILE 4 -5.929 5.264 -4.919
33 HG12 ILE 4 HG12 ILE 4 -5.201 5.314 -1.935
34 HG13 ILE 4 HG11 ILE 4 -5.816 6.709 -2.888
35 HG21 ILE 4 HG21 ILE 4 -4.199 3.197 -3.431
36 HG22 ILE 4 HG22 ILE 4 -5.026 3.035 -5.030
37 HG23 ILE 4 HG23 ILE 4 -5.994 3.003 -3.507
38 HD11 ILE 4 HD11 ILE 4 -7.990 5.982 -2.801
39 HD12 ILE 4 HD12 ILE 4 -7.420 4.949 -1.436
40 HD13 ILE 4 HD13 ILE 4 -7.538 4.261 -3.100
41 H SER 5 HN SER 5 -3.491 7.556 -2.800
42 HA SER 5 HA SER 5 -4.456 9.397 -4.865
43 HB2 SER 5 HB2 SER 5 -4.720 9.714 -1.813
44 HB3 SER 5 HB1 SER 5 -5.200 10.962 -3.031
45 HG SER 5 HG SER 5 -6.375 8.852 -3.857
46 H ARG 6 HN ARG 6 -1.681 8.360 -4.300
47 HA ARG 6 HA ARG 6 -0.594 11.000 -3.920
48 HB2 ARG 6 HB2 ARG 6 -0.052 9.819 -1.842
49 HB3 ARG 6 HB1 ARG 6 0.393 8.344 -2.763
50 HG2 ARG 6 HG2 ARG 6 2.317 9.840 -1.834
51 HG3 ARG 6 HG1 ARG 6 2.426 9.259 -3.529
52 HD2 ARG 6 HD2 ARG 6 3.046 11.671 -3.439
53 HD3 ARG 6 HD1 ARG 6 1.460 11.488 -4.316
54 HE ARG 6 HE ARG 6 0.365 12.547 -2.485
55 HH11 ARG 6 HH11 ARG 6 3.757 11.772 -1.700
56 HH12 ARG 6 HH12 ARG 6 3.790 12.705 -0.241
57 HH21 ARG 6 HH21 ARG 6 0.416 13.811 -0.504
58 HH22 ARG 6 HH22 ARG 6 1.859 13.882 0.450
59 H ILE 7 HN ILE 7 -1.653 9.433 -6.093
60 HA ILE 7 HA ILE 7 0.816 9.176 -7.599
61 HB ILE 7 HB ILE 7 -1.348 7.964 -8.980
62 HG12 ILE 7 HG12 ILE 7 -2.396 7.971 -6.649
63 HG13 ILE 7 HG11 ILE 7 -2.295 6.379 -7.478
64 HG21 ILE 7 HG21 ILE 7 0.115 5.845 -8.514
65 HG22 ILE 7 HG22 ILE 7 1.197 6.941 -7.574
66 HG23 ILE 7 HG23 ILE 7 0.927 7.233 -9.333
67 HD11 ILE 7 HD11 ILE 7 -1.544 6.784 -4.870
68 HD12 ILE 7 HD12 ILE 7 0.036 7.091 -5.682
69 HD13 ILE 7 HD13 ILE 7 -0.808 5.513 -5.918
70 H ILE 8 HN ILE 8 -1.880 10.877 -6.812
71 HA ILE 8 HA ILE 8 -1.999 12.110 -9.430
72 HB ILE 8 HB ILE 8 -4.120 12.206 -7.272
73 HG12 ILE 8 HG12 ILE 8 -5.190 10.468 -9.088
74 HG13 ILE 8 HG11 ILE 8 -3.444 10.055 -9.250
75 HG21 ILE 8 HG21 ILE 8 -4.557 13.943 -8.843
76 HG22 ILE 8 HG22 ILE 8 -5.498 12.585 -9.568
77 HG23 ILE 8 HG23 ILE 8 -3.874 13.011 -10.227
78 HD11 ILE 8 HD11 ILE 8 -3.438 9.943 -6.598
79 HD12 ILE 8 HD12 ILE 8 -4.186 8.583 -7.526
80 HD13 ILE 8 HD13 ILE 8 -5.237 9.831 -6.761
81 H LEU 9 HN LEU 9 -0.168 12.247 -7.579
82 HA LEU 9 HA LEU 9 -0.046 14.983 -7.029
83 HB2 LEU 9 HB2 LEU 9 -0.296 12.897 -4.918
84 HB3 LEU 9 HB1 LEU 9 1.164 13.934 -4.791
85 HG LEU 9 HG LEU 9 -0.483 14.944 -3.391
86 HD11 LEU 9 HD11 LEU 9 0.170 16.977 -4.149
87 HD12 LEU 9 HD12 LEU 9 -1.198 16.953 -5.322
88 HD13 LEU 9 HD13 LEU 9 0.422 16.331 -5.816
89 HD21 LEU 9 HD21 LEU 9 -2.368 13.688 -5.007
90 HD22 LEU 9 HD22 LEU 9 -2.616 15.425 -5.432
91 HD23 LEU 9 HD23 LEU 9 -2.742 14.889 -3.711
92 H DAS 10 HN DAS 10 0.792 11.659 -6.966
93 HA DAS 10 HA DAS 10 2.627 10.619 -7.477
94 HB2 DAS 10 HB2 DAS 10 4.227 13.162 -7.918
95 HB3 DAS 10 HB1 DAS 10 3.938 12.561 -6.243
96 H PHE 11 HN PHE 11 1.094 13.073 -9.048
97 HA PHE 11 HA PHE 11 2.322 12.411 -11.623
98 HB2 PHE 11 HB2 PHE 11 0.191 11.873 -12.416
99 HB3 PHE 11 HB1 PHE 11 -0.433 12.127 -10.734
100 HD1 PHE 11 HD1 PHE 11 0.193 13.750 -13.967
101 HD2 PHE 11 HD2 PHE 11 -1.403 14.013 -10.077
102 HE1 PHE 11 HE1 PHE 11 -0.769 15.897 -14.519
103 HE2 PHE 11 HE2 PHE 11 -2.378 16.110 -10.573
104 HZ PHE 11 HZ PHE 11 -2.132 17.114 -12.837
105 H LEU 12 HN LEU 12 1.104 14.660 -9.164
106 HA LEU 12 HA LEU 12 0.875 16.928 -10.752
107 HB2 LEU 12 HB2 LEU 12 1.171 16.219 -7.921
108 HB3 LEU 12 HB1 LEU 12 1.778 17.867 -8.291
109 HG LEU 12 HG LEU 12 -0.338 18.200 -7.619
110 HD11 LEU 12 HD11 LEU 12 -1.533 19.128 -9.450
111 HD12 LEU 12 HD12 LEU 12 -1.022 17.809 -10.568
112 HD13 LEU 12 HD13 LEU 12 0.170 19.052 -10.041
113 HD21 LEU 12 HD21 LEU 12 -1.359 16.232 -7.190
114 HD22 LEU 12 HD22 LEU 12 -0.852 15.498 -8.754
115 HD23 LEU 12 HD23 LEU 12 -2.265 16.632 -8.700
116 H PHE 13 HN PHE 13 3.630 15.802 -8.752
117 HA PHE 13 HA PHE 13 5.061 18.121 -9.547
118 HB2 PHE 13 HB2 PHE 13 6.526 15.774 -8.306
119 HB3 PHE 13 HB1 PHE 13 6.660 17.545 -7.915
120 HD1 PHE 13 HD1 PHE 13 5.648 14.587 -6.695
121 HD2 PHE 13 HD2 PHE 13 4.263 18.511 -7.409
122 HE1 PHE 13 HE1 PHE 13 3.833 14.239 -5.164
123 HE2 PHE 13 HE2 PHE 13 2.464 18.169 -5.874
124 HZ PHE 13 HZ PHE 13 2.227 16.032 -4.762
125 H LEU 14 HN LEU 14 3.980 15.792 -11.234
126 HA LEU 14 HA LEU 14 6.442 15.298 -12.683
127 HB2 LEU 14 HB2 LEU 14 3.921 13.598 -12.512
128 HB3 LEU 14 HB1 LEU 14 5.359 13.204 -13.531
129 HG LEU 14 HG LEU 14 5.159 13.262 -10.455
130 HD11 LEU 14 HD11 LEU 14 5.573 10.922 -10.545
131 HD12 LEU 14 HD12 LEU 14 6.265 10.990 -12.209
132 HD13 LEU 14 HD13 LEU 14 4.490 11.192 -11.964
133 HD21 LEU 14 HD21 LEU 14 7.726 12.417 -10.800
134 HD22 LEU 14 HD22 LEU 14 7.306 14.156 -10.576
135 HD23 LEU 14 HD23 LEU 14 7.625 13.510 -12.230
136 H ARG 15 HN ARG 15 3.442 16.980 -12.771
137 HA ARG 15 HA ARG 15 2.952 16.380 -15.543
138 HB2 ARG 15 HB2 ARG 15 1.221 18.195 -15.375
139 HB3 ARG 15 HB1 ARG 15 0.961 16.724 -14.369
140 HG2 ARG 15 HG2 ARG 15 1.084 17.880 -12.425
141 HG3 ARG 15 HG1 ARG 15 2.515 18.822 -12.964
142 HD2 ARG 15 HD2 ARG 15 0.966 20.548 -12.872
143 HD3 ARG 15 HD1 ARG 15 0.637 19.964 -14.566
144 HE ARG 15 HE ARG 15 -0.994 18.456 -12.741
145 HH11 ARG 15 HH11 ARG 15 -0.549 21.741 -14.041
146 HH12 ARG 15 HH12 ARG 15 -2.217 22.190 -13.903
147 HH21 ARG 15 HH21 ARG 15 -3.266 19.067 -12.550
148 HH22 ARG 15 HH22 ARG 15 -3.786 20.644 -13.040
149 H LYS 16 HN LYS 16 4.528 18.790 -13.564
150 HA LYS 16 HA LYS 16 5.958 19.911 -15.559
151 HB2 LYS 16 HB2 LYS 16 4.738 21.925 -16.255
152 HB3 LYS 16 HB1 LYS 16 3.690 20.498 -16.578
153 HG2 LYS 16 HG2 LYS 16 2.097 21.714 -15.542
154 HG3 LYS 16 HG1 LYS 16 2.859 21.074 -14.051
155 HD2 LYS 16 HD2 LYS 16 2.914 23.305 -13.473
156 HD3 LYS 16 HD1 LYS 16 4.438 23.277 -14.427
157 HE2 LYS 16 HE2 LYS 16 3.200 24.090 -16.452
158 HE3 LYS 16 HE1 LYS 16 1.655 24.100 -15.504
159 HZ1 LYS 16 HZ1 LYS 16 2.575 25.727 -14.052
160 HZ2 LYS 16 HZ2 LYS 16 2.763 26.259 -15.654
161 HZ3 LYS 16 HZ3 LYS 16 4.097 25.647 -14.800
162 H LYS 17 HN LYS 17 4.012 20.131 -12.661
163 HA LYS 17 HA LYS 17 5.174 22.363 -11.503
164 HB2 LYS 17 HB2 LYS 17 3.925 19.799 -10.365
165 HB3 LYS 17 HB1 LYS 17 4.429 21.183 -9.316
166 HG2 LYS 17 HG2 LYS 17 2.441 21.428 -11.656
167 HG3 LYS 17 HG1 LYS 17 1.949 21.124 -9.953
168 HD2 LYS 17 HD2 LYS 17 3.107 23.272 -9.278
169 HD3 LYS 17 HD1 LYS 17 3.495 23.577 -11.007
170 HE2 LYS 17 HE2 LYS 17 1.045 23.635 -11.556
171 HE3 LYS 17 HE1 LYS 17 0.651 23.320 -9.814
172 HZ1 LYS 17 HZ1 LYS 17 1.152 25.397 -9.263
173 HZ2 LYS 17 HZ2 LYS 17 0.890 25.730 -10.907
174 HZ3 LYS 17 HZ3 LYS 17 2.471 25.523 -10.324
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