Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649252 | 6wqr RC | 30750 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1HT ALA 1 5.707 1.882 -4.983
2 H2 ALA 1 2HT ALA 1 5.145 3.437 -5.247
3 H3 ALA 1 3HT ALA 1 4.312 2.105 -5.897
4 HA ALA 1 HA ALA 1 3.219 3.007 -3.903
5 HB1 ALA 1 1HB ALA 1 2.987 0.620 -4.454
6 HB2 ALA 1 2HB ALA 1 3.050 0.858 -2.709
7 HB3 ALA 1 3HB ALA 1 4.472 0.268 -3.569
8 H CYS 2 HN CYS 2 3.742 1.990 -1.350
9 HA CYS 2 HA CYS 2 5.519 3.749 -0.190
10 HB2 CYS 2 2HB CYS 2 4.463 1.085 0.765
11 HB3 CYS 2 1HB CYS 2 5.327 2.239 1.770
12 H LYS 3 HN LYS 3 7.515 3.253 0.962
13 HA LYS 3 HA LYS 3 9.446 2.241 -0.796
14 HB2 LYS 3 2HB LYS 3 9.696 2.844 2.149
15 HB3 LYS 3 1HB LYS 3 11.040 2.564 1.051
16 HG2 LYS 3 2HG LYS 3 9.060 4.826 0.882
17 HG3 LYS 3 1HG LYS 3 10.726 4.941 1.454
18 HD2 LYS 3 2HD LYS 3 11.531 4.264 -0.749
19 HD3 LYS 3 1HD LYS 3 9.874 4.115 -1.321
20 HE2 LYS 3 2HE LYS 3 9.561 6.529 -0.811
21 HE3 LYS 3 1HE LYS 3 11.272 6.605 -0.406
22 HZ1 LYS 3 1HZ LYS 3 10.153 5.884 -3.060
23 HZ2 LYS 3 2HZ LYS 3 11.805 5.925 -2.663
24 HZ3 LYS 3 3HZ LYS 3 10.912 7.339 -2.652
25 H GLU 4 HN GLU 4 8.275 0.860 2.265
26 HA GLU 4 HA GLU 4 9.623 -1.607 1.550
27 HB2 GLU 4 2HB GLU 4 7.965 -1.076 3.993
28 HB3 GLU 4 1HB GLU 4 9.162 -2.334 3.729
29 HG2 GLU 4 2HG GLU 4 9.754 0.619 4.029
30 HG3 GLU 4 1HG GLU 4 10.015 -0.607 5.263
31 H TYR 5 HN TYR 5 8.493 -2.621 0.156
32 HA TYR 5 HA TYR 5 5.727 -2.241 -0.379
33 HB2 TYR 5 2HB TYR 5 7.507 -2.993 -2.018
34 HB3 TYR 5 1HB TYR 5 7.384 -4.582 -1.301
35 HD1 TYR 5 1HD TYR 5 5.698 -6.093 -1.949
36 HD2 TYR 5 2HD TYR 5 5.410 -2.022 -3.123
37 HE1 TYR 5 1HE TYR 5 3.820 -6.659 -3.407
38 HE2 TYR 5 2HE TYR 5 3.525 -2.568 -4.594
39 HH TYR 5 HH TYR 5 2.598 -4.543 -5.766
40 H TRP 6 HN TRP 6 7.479 -4.761 1.128
41 HA TRP 6 HA TRP 6 5.361 -6.542 1.682
42 HB2 TRP 6 2HB TRP 6 6.944 -7.489 3.437
43 HB3 TRP 6 1HB TRP 6 7.495 -7.439 1.763
44 HD1 TRP 6 1HD TRP 6 7.993 -5.427 5.048
45 HE1 TRP 6 1HE TRP 6 10.350 -4.387 4.956
46 HE3 TRP 6 3HE TRP 6 9.361 -6.911 0.353
47 HZ2 TRP 6 2HZ TRP 6 12.493 -4.234 3.147
48 HZ3 TRP 6 3HZ TRP 6 11.586 -6.281 -0.478
49 HH2 TRP 6 2HH TRP 6 13.115 -4.969 0.898
50 H GLU 7 HN GLU 7 6.207 -3.641 3.192
51 HA GLU 7 HA GLU 7 5.011 -4.121 5.739
52 HB2 GLU 7 2HB GLU 7 6.590 -2.258 5.380
53 HB3 GLU 7 1HB GLU 7 5.463 -1.510 4.265
54 HG2 GLU 7 2HG GLU 7 5.448 -0.379 6.408
55 HG3 GLU 7 1HG GLU 7 3.894 -1.146 6.098
56 H CYS 8 HN CYS 8 3.911 -2.993 2.693
57 HA CYS 8 HA CYS 8 1.224 -2.530 3.578
58 HB2 CYS 8 2HB CYS 8 2.399 -2.714 0.814
59 HB3 CYS 8 1HB CYS 8 0.783 -2.163 1.216
60 H GLY 9 HN GLY 9 2.989 -4.914 1.707
61 HA2 GLY 9 2HA GLY 9 2.354 -7.269 2.074
62 HA3 GLY 9 1HA GLY 9 0.678 -6.735 1.974
63 H ALA 10 HN ALA 10 -0.138 -7.549 0.136
64 HA ALA 10 HA ALA 10 1.520 -7.408 -2.282
65 HB1 ALA 10 1HB ALA 10 0.131 -9.207 -3.166
66 HB2 ALA 10 2HB ALA 10 -0.863 -9.161 -1.712
67 HB3 ALA 10 3HB ALA 10 0.820 -9.668 -1.608
68 H PHE 11 HN PHE 11 1.078 -5.613 -3.330
69 HA PHE 11 HA PHE 11 0.096 -3.886 -4.294
70 HB2 PHE 11 2HB PHE 11 -0.567 -5.578 -5.910
71 HB3 PHE 11 1HB PHE 11 -2.028 -5.910 -4.982
72 HD1 PHE 11 1HD PHE 11 -0.300 -3.286 -6.947
73 HD2 PHE 11 2HD PHE 11 -3.992 -4.664 -5.337
74 HE1 PHE 11 1HE PHE 11 -1.500 -1.556 -8.207
75 HE2 PHE 11 2HE PHE 11 -5.191 -2.941 -6.592
76 HZ PHE 11 HZ PHE 11 -3.949 -1.380 -8.033
77 H LEU 12 HN LEU 12 -0.281 -2.431 -2.845
78 HA LEU 12 HA LEU 12 -3.030 -2.130 -1.948
79 HB2 LEU 12 2HB LEU 12 -0.542 -1.756 -0.271
80 HB3 LEU 12 1HB LEU 12 -2.055 -0.992 0.134
81 HG LEU 12 HG LEU 12 -1.768 -2.873 1.558
82 HD11 LEU 12 1HD1 LEU 12 -4.024 -2.515 0.860
83 HD12 LEU 12 2HD1 LEU 12 -3.712 -4.233 1.112
84 HD13 LEU 12 3HD1 LEU 12 -3.793 -3.585 -0.525
85 HD21 LEU 12 1HD2 LEU 12 -0.168 -4.166 0.281
86 HD22 LEU 12 2HD2 LEU 12 -1.415 -4.576 -0.897
87 HD23 LEU 12 3HD2 LEU 12 -1.534 -5.173 0.757
88 H PHE 13 HN PHE 13 -3.451 0.126 -1.373
89 HA PHE 13 HA PHE 13 -2.094 1.924 -3.224
90 HB2 PHE 13 2HB PHE 13 -4.551 1.677 -3.432
91 HB3 PHE 13 1HB PHE 13 -4.739 2.116 -1.741
92 HD1 PHE 13 1HD PHE 13 -3.762 3.341 -5.057
93 HD2 PHE 13 2HD PHE 13 -4.801 4.398 -1.079
94 HE1 PHE 13 1HE PHE 13 -3.975 5.690 -5.744
95 HE2 PHE 13 2HE PHE 13 -5.015 6.752 -1.750
96 HZ PHE 13 HZ PHE 13 -4.604 7.400 -4.089
97 H CYS 14 HN CYS 14 -0.812 3.499 -2.308
98 HA CYS 14 HA CYS 14 -0.850 3.572 0.599
99 HB2 CYS 14 2HB CYS 14 1.206 4.619 -1.300
100 HB3 CYS 14 1HB CYS 14 1.249 4.779 0.438
101 H ILE 15 HN ILE 15 -1.556 5.098 1.598
102 HA ILE 15 HA ILE 15 -1.679 7.717 0.389
103 HB ILE 15 HB ILE 15 -3.910 7.008 0.240
104 HG12 ILE 15 2HG1 ILE 15 -3.676 8.859 2.623
105 HG13 ILE 15 1HG1 ILE 15 -3.606 9.330 0.931
106 HG21 ILE 15 1HG2 ILE 15 -5.291 6.252 2.159
107 HG22 ILE 15 2HG2 ILE 15 -3.846 6.270 3.169
108 HG23 ILE 15 3HG2 ILE 15 -3.952 5.158 1.804
109 HD11 ILE 15 1HD1 ILE 15 -5.764 9.855 1.908
110 HD12 ILE 15 2HD1 ILE 15 -5.990 8.165 2.353
111 HD13 ILE 15 3HD1 ILE 15 -5.934 8.630 0.651
112 H GLU 16 HN GLU 16 -0.135 8.602 1.300
113 HA GLU 16 HA GLU 16 1.156 9.690 2.776
114 HB2 GLU 16 2HB GLU 16 -1.317 9.397 4.331
115 HB3 GLU 16 1HB GLU 16 0.053 10.395 4.863
116 HG2 GLU 16 2HG GLU 16 -0.201 11.764 2.853
117 HG3 GLU 16 1HG GLU 16 -1.545 10.747 2.333
118 H GLY 17 HN GLY 17 1.307 6.888 2.721
119 HA2 GLY 17 2HA GLY 17 3.033 5.641 3.800
120 HA3 GLY 17 1HA GLY 17 2.684 6.512 5.290
121 H ILE 18 HN ILE 18 -0.229 5.907 4.291
122 HA ILE 18 HA ILE 18 -0.376 3.426 5.814
123 HB ILE 18 HB ILE 18 -2.588 5.330 4.979
124 HG12 ILE 18 2HG1 ILE 18 -1.102 6.355 6.615
125 HG13 ILE 18 1HG1 ILE 18 -2.661 5.998 7.350
126 HG21 ILE 18 1HG2 ILE 18 -2.692 2.958 6.842
127 HG22 ILE 18 2HG2 ILE 18 -3.423 3.055 5.242
128 HG23 ILE 18 3HG2 ILE 18 -4.013 4.087 6.546
129 HD11 ILE 18 1HD1 ILE 18 -0.121 4.410 7.685
130 HD12 ILE 18 2HD1 ILE 18 -1.679 4.024 8.418
131 HD13 ILE 18 3HD1 ILE 18 -0.839 5.509 8.860
132 H CYS 19 HN CYS 19 -0.602 1.625 4.771
133 HA CYS 19 HA CYS 19 -1.156 1.635 1.932
134 HB2 CYS 19 2HB CYS 19 -0.698 -0.781 3.683
135 HB3 CYS 19 1HB CYS 19 -0.408 -0.599 1.962
136 H VAL 20 HN VAL 20 -3.255 1.708 1.415
137 HA VAL 20 HA VAL 20 -5.145 0.187 3.061
138 HB VAL 20 HB VAL 20 -6.929 1.664 2.246
139 HG11 VAL 20 1HG1 VAL 20 -4.614 3.219 3.353
140 HG12 VAL 20 2HG1 VAL 20 -5.824 2.328 4.278
141 HG13 VAL 20 3HG1 VAL 20 -6.294 3.750 3.347
142 HG21 VAL 20 1HG2 VAL 20 -6.427 3.692 0.934
143 HG22 VAL 20 2HG2 VAL 20 -6.063 2.216 0.042
144 HG23 VAL 20 3HG2 VAL 20 -4.755 3.150 0.769
145 HA PRO 21 HA PRO 21 -5.840 -2.260 -0.534
146 HB2 PRO 21 2HB PRO 21 -8.430 -2.983 -0.199
147 HB3 PRO 21 1HB PRO 21 -7.111 -3.698 0.730
148 HG2 PRO 21 2HG PRO 21 -9.049 -1.571 1.536
149 HG3 PRO 21 1HG PRO 21 -8.399 -2.914 2.492
150 HD2 PRO 21 2HD PRO 21 -7.488 -0.356 2.680
151 HD3 PRO 21 1HD PRO 21 -6.477 -1.777 3.006
152 H MET 22 HN MET 22 -6.312 -1.665 -2.586
153 HA MET 22 HA MET 22 -7.597 0.813 -2.893
154 HB2 MET 22 2HB MET 22 -5.608 0.048 -4.293
155 HB3 MET 22 1HB MET 22 -6.776 -0.980 -5.133
156 HG2 MET 22 2HG MET 22 -8.073 0.999 -5.759
157 HG3 MET 22 1HG MET 22 -6.858 2.021 -5.000
158 HE1 MET 22 1HE MET 22 -7.779 -0.330 -7.950
159 HE2 MET 22 2HE MET 22 -6.435 -1.237 -7.253
160 HE3 MET 22 3HE MET 22 -6.260 -0.471 -8.830
161 H ILE 23 HN ILE 23 -9.427 1.170 -4.156
162 HA ILE 23 HA ILE 23 -11.259 -1.089 -4.258
163 HB ILE 23 HB ILE 23 -11.905 1.899 -4.464
164 HG12 ILE 23 2HG1 ILE 23 -13.168 1.475 -2.277
165 HG13 ILE 23 1HG1 ILE 23 -12.309 -0.050 -2.177
166 HG21 ILE 23 1HG2 ILE 23 -14.254 1.240 -4.317
167 HG22 ILE 23 2HG2 ILE 23 -13.775 -0.457 -4.352
168 HG23 ILE 23 3HG2 ILE 23 -13.468 0.575 -5.748
169 HD11 ILE 23 1HD1 ILE 23 -10.188 1.168 -2.053
170 HD12 ILE 23 2HD1 ILE 23 -11.295 1.641 -0.762
171 HD13 ILE 23 3HD1 ILE 23 -11.066 2.696 -2.159
172 HN1 NH2 24 HN1 NH2 24 -11.184 1.841 -6.204
173 HN2 NH2 24 HN2 NH2 24 -10.958 1.064 -7.726
Start of MODEL 2
1 H1 ALA 1 1HT ALA 1 7.129 7.936 1.518
2 H2 ALA 1 2HT ALA 1 7.420 8.699 0.025
3 H3 ALA 1 3HT ALA 1 8.455 7.480 0.595
4 HA ALA 1 HA ALA 1 5.628 7.104 -0.136
5 HB1 ALA 1 1HB ALA 1 8.152 6.189 -1.528
6 HB2 ALA 1 2HB ALA 1 7.113 7.499 -2.075
7 HB3 ALA 1 3HB ALA 1 6.499 5.846 -2.038
8 H CYS 2 HN CYS 2 5.476 4.531 -0.535
9 HA CYS 2 HA CYS 2 6.234 3.341 1.966
10 HB2 CYS 2 2HB CYS 2 4.970 2.075 -0.471
11 HB3 CYS 2 1HB CYS 2 5.091 1.343 1.118
12 H LYS 3 HN LYS 3 7.909 2.054 2.292
13 HA LYS 3 HA LYS 3 9.798 1.875 0.072
14 HB2 LYS 3 2HB LYS 3 10.318 1.435 3.011
15 HB3 LYS 3 1HB LYS 3 11.524 1.501 1.733
16 HG2 LYS 3 2HG LYS 3 10.809 3.862 1.289
17 HG3 LYS 3 1HG LYS 3 9.785 3.754 2.714
18 HD2 LYS 3 2HD LYS 3 11.820 4.816 3.370
19 HD3 LYS 3 1HD LYS 3 11.835 3.184 4.036
20 HE2 LYS 3 2HE LYS 3 14.009 3.779 3.093
21 HE3 LYS 3 1HE LYS 3 13.289 2.440 2.210
22 HZ1 LYS 3 1HZ LYS 3 13.266 5.286 1.347
23 HZ2 LYS 3 2HZ LYS 3 12.598 4.001 0.486
24 HZ3 LYS 3 3HZ LYS 3 14.258 4.079 0.723
25 H GLU 4 HN GLU 4 7.791 -0.080 2.095
26 HA GLU 4 HA GLU 4 8.785 -2.396 0.678
27 HB2 GLU 4 2HB GLU 4 7.856 -2.302 3.502
28 HB3 GLU 4 1HB GLU 4 8.360 -3.705 2.573
29 HG2 GLU 4 2HG GLU 4 10.619 -2.899 2.434
30 HG3 GLU 4 1HG GLU 4 10.173 -1.393 3.235
31 H TYR 5 HN TYR 5 7.269 -2.377 -0.647
32 HA TYR 5 HA TYR 5 4.522 -1.758 -0.398
33 HB2 TYR 5 2HB TYR 5 5.881 -1.870 -2.490
34 HB3 TYR 5 1HB TYR 5 5.874 -3.617 -2.359
35 HD1 TYR 5 1HD TYR 5 3.951 -0.630 -3.151
36 HD2 TYR 5 2HD TYR 5 3.878 -4.874 -2.970
37 HE1 TYR 5 1HE TYR 5 1.958 -0.647 -4.551
38 HE2 TYR 5 2HE TYR 5 1.877 -4.900 -4.372
39 HH TYR 5 HH TYR 5 0.827 -2.222 -6.105
40 H TRP 6 HN TRP 6 6.270 -4.712 -0.393
41 HA TRP 6 HA TRP 6 4.144 -6.559 -0.166
42 HB2 TRP 6 2HB TRP 6 5.931 -8.187 0.381
43 HB3 TRP 6 1HB TRP 6 6.285 -7.225 -1.051
44 HD1 TRP 6 1HD TRP 6 7.470 -7.788 2.536
45 HE1 TRP 6 1HE TRP 6 9.766 -6.668 2.860
46 HE3 TRP 6 3HE TRP 6 7.812 -5.357 -1.942
47 HZ2 TRP 6 2HZ TRP 6 11.497 -4.997 1.384
48 HZ3 TRP 6 3HZ TRP 6 9.819 -4.022 -2.396
49 HH2 TRP 6 2HH TRP 6 11.614 -3.851 -0.772
50 H GLU 7 HN GLU 7 5.673 -4.572 2.166
51 HA GLU 7 HA GLU 7 5.249 -6.276 4.429
52 HB2 GLU 7 2HB GLU 7 6.993 -4.449 4.280
53 HB3 GLU 7 1HB GLU 7 5.690 -3.282 4.427
54 HG2 GLU 7 2HG GLU 7 6.703 -3.535 6.568
55 HG3 GLU 7 1HG GLU 7 5.122 -4.314 6.626
56 H CYS 8 HN CYS 8 3.330 -4.194 2.583
57 HA CYS 8 HA CYS 8 1.332 -3.898 4.660
58 HB2 CYS 8 2HB CYS 8 1.624 -2.679 1.926
59 HB3 CYS 8 1HB CYS 8 0.315 -2.349 3.056
60 H GLY 9 HN GLY 9 2.126 -6.218 2.513
61 HA2 GLY 9 2HA GLY 9 0.605 -8.091 2.349
62 HA3 GLY 9 1HA GLY 9 -0.693 -6.933 2.088
63 H ALA 10 HN ALA 10 -1.330 -7.739 0.133
64 HA ALA 10 HA ALA 10 0.625 -7.601 -2.049
65 HB1 ALA 10 1HB ALA 10 -1.892 -9.252 -1.876
66 HB2 ALA 10 2HB ALA 10 -0.246 -9.857 -1.690
67 HB3 ALA 10 3HB ALA 10 -0.778 -9.209 -3.241
68 H PHE 11 HN PHE 11 0.299 -6.193 -3.549
69 HA PHE 11 HA PHE 11 -0.400 -4.430 -4.685
70 HB2 PHE 11 2HB PHE 11 -1.734 -6.259 -5.750
71 HB3 PHE 11 1HB PHE 11 -3.095 -5.795 -4.736
72 HD1 PHE 11 1HD PHE 11 -0.733 -4.445 -7.261
73 HD2 PHE 11 2HD PHE 11 -4.583 -4.161 -5.489
74 HE1 PHE 11 1HE PHE 11 -1.384 -2.802 -8.964
75 HE2 PHE 11 2HE PHE 11 -5.242 -2.508 -7.193
76 HZ PHE 11 HZ PHE 11 -3.646 -1.832 -8.932
77 H LEU 12 HN LEU 12 -0.297 -2.624 -3.647
78 HA LEU 12 HA LEU 12 -2.626 -1.739 -2.084
79 HB2 LEU 12 2HB LEU 12 0.252 -1.335 -1.242
80 HB3 LEU 12 1HB LEU 12 -1.135 -0.625 -0.467
81 HG LEU 12 HG LEU 12 -0.415 -2.320 0.940
82 HD11 LEU 12 1HD1 LEU 12 -2.716 -3.453 -0.587
83 HD12 LEU 12 2HD1 LEU 12 -2.778 -2.312 0.758
84 HD13 LEU 12 3HD1 LEU 12 -2.193 -3.957 1.019
85 HD21 LEU 12 1HD2 LEU 12 -0.284 -4.191 -1.416
86 HD22 LEU 12 2HD2 LEU 12 0.012 -4.641 0.264
87 HD23 LEU 12 3HD2 LEU 12 1.086 -3.500 -0.546
88 H PHE 13 HN PHE 13 -2.864 0.503 -1.988
89 HA PHE 13 HA PHE 13 -1.215 2.042 -3.847
90 HB2 PHE 13 2HB PHE 13 -4.064 2.504 -2.899
91 HB3 PHE 13 1HB PHE 13 -3.143 3.639 -3.875
92 HD1 PHE 13 1HD PHE 13 -2.514 3.022 -6.197
93 HD2 PHE 13 2HD PHE 13 -5.173 0.660 -3.869
94 HE1 PHE 13 1HE PHE 13 -3.328 1.938 -8.239
95 HE2 PHE 13 2HE PHE 13 -5.988 -0.437 -5.929
96 HZ PHE 13 HZ PHE 13 -5.063 0.207 -8.107
97 H CYS 14 HN CYS 14 -0.072 3.645 -2.899
98 HA CYS 14 HA CYS 14 -0.479 3.935 -0.031
99 HB2 CYS 14 2HB CYS 14 1.866 4.700 -1.738
100 HB3 CYS 14 1HB CYS 14 1.748 4.944 -0.007
101 H ILE 15 HN ILE 15 -0.925 5.817 0.839
102 HA ILE 15 HA ILE 15 -0.745 8.228 -0.606
103 HB ILE 15 HB ILE 15 -2.892 7.480 -1.417
104 HG12 ILE 15 2HG1 ILE 15 -4.407 9.252 -0.581
105 HG13 ILE 15 1HG1 ILE 15 -3.291 9.553 0.745
106 HG21 ILE 15 1HG2 ILE 15 -4.795 6.996 0.066
107 HG22 ILE 15 2HG2 ILE 15 -3.675 6.997 1.433
108 HG23 ILE 15 3HG2 ILE 15 -3.494 5.809 0.145
109 HD11 ILE 15 1HD1 ILE 15 -3.051 11.192 -1.034
110 HD12 ILE 15 2HD1 ILE 15 -2.704 9.904 -2.185
111 HD13 ILE 15 3HD1 ILE 15 -1.581 10.232 -0.864
112 H GLU 16 HN GLU 16 -0.061 9.615 0.761
113 HA GLU 16 HA GLU 16 0.553 10.724 2.598
114 HB2 GLU 16 2HB GLU 16 -1.855 9.341 3.653
115 HB3 GLU 16 1HB GLU 16 -0.977 10.604 4.552
116 HG2 GLU 16 2HG GLU 16 -1.530 12.210 2.820
117 HG3 GLU 16 1HG GLU 16 -2.297 10.955 1.855
118 H GLY 17 HN GLY 17 1.347 7.896 2.036
119 HA2 GLY 17 2HA GLY 17 3.161 6.725 2.961
120 HA3 GLY 17 1HA GLY 17 2.838 7.497 4.508
121 H ILE 18 HN ILE 18 -0.061 6.558 3.485
122 HA ILE 18 HA ILE 18 -0.028 4.191 5.181
123 HB ILE 18 HB ILE 18 -2.390 5.684 3.991
124 HG12 ILE 18 2HG1 ILE 18 -1.169 5.980 6.753
125 HG13 ILE 18 1HG1 ILE 18 -1.044 7.157 5.456
126 HG21 ILE 18 1HG2 ILE 18 -2.229 3.706 6.273
127 HG22 ILE 18 2HG2 ILE 18 -2.904 3.395 4.675
128 HG23 ILE 18 3HG2 ILE 18 -3.685 4.552 5.751
129 HD11 ILE 18 1HD1 ILE 18 -2.712 7.813 7.093
130 HD12 ILE 18 2HD1 ILE 18 -3.584 6.303 6.830
131 HD13 ILE 18 3HD1 ILE 18 -3.464 7.491 5.531
132 H CYS 19 HN CYS 19 -0.258 2.198 4.306
133 HA CYS 19 HA CYS 19 -0.586 1.880 1.464
134 HB2 CYS 19 2HB CYS 19 -0.401 -0.194 3.668
135 HB3 CYS 19 1HB CYS 19 -0.319 -0.499 1.943
136 H VAL 20 HN VAL 20 -2.565 1.875 0.614
137 HA VAL 20 HA VAL 20 -4.798 0.958 2.273
138 HB VAL 20 HB VAL 20 -4.795 2.944 -0.016
139 HG11 VAL 20 1HG1 VAL 20 -7.038 2.095 1.810
140 HG12 VAL 20 2HG1 VAL 20 -6.889 1.702 0.098
141 HG13 VAL 20 3HG1 VAL 20 -7.127 3.376 0.602
142 HG21 VAL 20 1HG2 VAL 20 -5.178 3.402 2.940
143 HG22 VAL 20 2HG2 VAL 20 -5.265 4.627 1.665
144 HG23 VAL 20 3HG2 VAL 20 -3.741 3.816 2.008
145 HA PRO 21 HA PRO 21 -5.187 -2.005 -1.090
146 HB2 PRO 21 2HB PRO 21 -6.836 -3.717 0.176
147 HB3 PRO 21 1HB PRO 21 -5.108 -3.659 0.535
148 HG2 PRO 21 2HG PRO 21 -7.400 -2.582 2.090
149 HG3 PRO 21 1HG PRO 21 -5.866 -3.256 2.663
150 HD2 PRO 21 2HD PRO 21 -6.494 -0.530 2.444
151 HD3 PRO 21 1HD PRO 21 -4.870 -1.212 2.652
152 H MET 22 HN MET 22 -6.665 -2.002 -2.683
153 HA MET 22 HA MET 22 -8.963 -0.399 -2.452
154 HB2 MET 22 2HB MET 22 -7.365 -0.594 -4.439
155 HB3 MET 22 1HB MET 22 -8.130 -2.150 -4.736
156 HG2 MET 22 2HG MET 22 -9.690 0.415 -4.754
157 HG3 MET 22 1HG MET 22 -8.832 -0.172 -6.169
158 HE1 MET 22 1HE MET 22 -12.511 -0.883 -7.159
159 HE2 MET 22 2HE MET 22 -10.973 -0.179 -7.654
160 HE3 MET 22 3HE MET 22 -11.865 0.519 -6.303
161 H ILE 23 HN ILE 23 -11.104 -1.337 -3.041
162 HA ILE 23 HA ILE 23 -11.455 -3.862 -1.634
163 HB ILE 23 HB ILE 23 -13.657 -2.101 -2.788
164 HG12 ILE 23 2HG1 ILE 23 -12.668 -2.207 0.066
165 HG13 ILE 23 1HG1 ILE 23 -12.174 -0.959 -1.067
166 HG21 ILE 23 1HG2 ILE 23 -15.086 -3.306 -1.164
167 HG22 ILE 23 2HG2 ILE 23 -13.703 -4.295 -0.700
168 HG23 ILE 23 3HG2 ILE 23 -14.354 -4.404 -2.335
169 HD11 ILE 23 1HD1 ILE 23 -13.939 -0.180 0.411
170 HD12 ILE 23 2HD1 ILE 23 -14.984 -1.499 -0.122
171 HD13 ILE 23 3HD1 ILE 23 -14.507 -0.238 -1.258
172 HN1 NH2 24 HN1 NH2 24 -13.382 -2.874 -4.415
173 HN2 NH2 24 HN2 NH2 24 -13.022 -4.255 -5.381
Start of MODEL 3
1 H1 ALA 1 1HT ALA 1 5.547 7.797 -2.042
2 H2 ALA 1 2HT ALA 1 6.982 7.148 -1.400
3 H3 ALA 1 3HT ALA 1 5.797 7.726 -0.376
4 HA ALA 1 HA ALA 1 4.300 6.023 -0.960
5 HB1 ALA 1 1HB ALA 1 5.063 5.689 -3.292
6 HB2 ALA 1 2HB ALA 1 5.006 4.176 -2.393
7 HB3 ALA 1 3HB ALA 1 6.553 4.961 -2.690
8 H CYS 2 HN CYS 2 4.841 3.562 -0.321
9 HA CYS 2 HA CYS 2 6.204 3.783 2.163
10 HB2 CYS 2 2HB CYS 2 5.059 1.355 0.773
11 HB3 CYS 2 1HB CYS 2 5.387 1.534 2.501
12 H LYS 3 HN LYS 3 7.802 1.800 2.668
13 HA LYS 3 HA LYS 3 9.938 2.425 0.840
14 HB2 LYS 3 2HB LYS 3 10.074 0.643 3.279
15 HB3 LYS 3 1HB LYS 3 11.440 1.311 2.399
16 HG2 LYS 3 2HG LYS 3 9.426 2.811 4.070
17 HG3 LYS 3 1HG LYS 3 11.141 2.591 4.405
18 HD2 LYS 3 2HD LYS 3 10.012 4.136 2.053
19 HD3 LYS 3 1HD LYS 3 10.549 4.859 3.557
20 HE2 LYS 3 2HE LYS 3 12.317 3.230 1.726
21 HE3 LYS 3 1HE LYS 3 12.205 4.985 1.689
22 HZ1 LYS 3 1HZ LYS 3 12.971 5.007 4.002
23 HZ2 LYS 3 2HZ LYS 3 14.085 4.353 2.954
24 HZ3 LYS 3 3HZ LYS 3 13.198 3.332 3.963
25 H GLU 4 HN GLU 4 8.309 -0.553 1.858
26 HA GLU 4 HA GLU 4 9.259 -1.718 -0.637
27 HB2 GLU 4 2HB GLU 4 8.743 -3.084 2.011
28 HB3 GLU 4 1HB GLU 4 9.128 -3.889 0.516
29 HG2 GLU 4 2HG GLU 4 10.924 -2.006 2.030
30 HG3 GLU 4 1HG GLU 4 11.063 -3.762 1.983
31 H TYR 5 HN TYR 5 7.717 -3.267 -1.516
32 HA TYR 5 HA TYR 5 4.999 -2.360 -1.357
33 HB2 TYR 5 2HB TYR 5 6.080 -3.193 -3.440
34 HB3 TYR 5 1HB TYR 5 6.200 -4.775 -2.708
35 HD1 TYR 5 1HD TYR 5 4.458 -6.320 -2.924
36 HD2 TYR 5 2HD TYR 5 3.733 -2.231 -3.814
37 HE1 TYR 5 1HE TYR 5 2.280 -6.918 -3.861
38 HE2 TYR 5 2HE TYR 5 1.550 -2.813 -4.747
39 HH TYR 5 HH TYR 5 0.506 -4.829 -5.770
40 H TRP 6 HN TRP 6 6.756 -5.200 -0.539
41 HA TRP 6 HA TRP 6 4.616 -6.605 0.700
42 HB2 TRP 6 2HB TRP 6 6.338 -8.166 1.574
43 HB3 TRP 6 1HB TRP 6 6.514 -7.819 -0.144
44 HD1 TRP 6 1HD TRP 6 8.709 -6.608 -0.945
45 HE1 TRP 6 1HE TRP 6 10.958 -6.106 0.212
46 HE3 TRP 6 3HE TRP 6 7.381 -7.554 3.903
47 HZ2 TRP 6 2HZ TRP 6 12.022 -6.110 2.819
48 HZ3 TRP 6 3HZ TRP 6 9.076 -7.282 5.661
49 HH2 TRP 6 2HH TRP 6 11.341 -6.577 5.127
50 H GLU 7 HN GLU 7 6.350 -3.995 1.697
51 HA GLU 7 HA GLU 7 6.357 -4.266 4.515
52 HB2 GLU 7 2HB GLU 7 7.641 -2.505 3.441
53 HB3 GLU 7 1HB GLU 7 6.183 -1.799 2.767
54 HG2 GLU 7 2HG GLU 7 5.472 -1.196 5.019
55 HG3 GLU 7 1HG GLU 7 6.934 -1.927 5.675
56 H CYS 8 HN CYS 8 4.025 -3.200 2.225
57 HA CYS 8 HA CYS 8 2.017 -2.816 4.282
58 HB2 CYS 8 2HB CYS 8 1.968 -2.564 1.295
59 HB3 CYS 8 1HB CYS 8 0.608 -2.207 2.333
60 H GLY 9 HN GLY 9 2.731 -4.805 1.489
61 HA2 GLY 9 2HA GLY 9 2.316 -7.246 1.958
62 HA3 GLY 9 1HA GLY 9 0.692 -6.705 2.383
63 H ALA 10 HN ALA 10 0.614 -8.480 0.557
64 HA ALA 10 HA ALA 10 1.093 -7.600 -2.098
65 HB1 ALA 10 1HB ALA 10 1.026 -9.975 -1.458
66 HB2 ALA 10 2HB ALA 10 -0.088 -9.599 -2.772
67 HB3 ALA 10 3HB ALA 10 -0.701 -9.817 -1.134
68 H PHE 11 HN PHE 11 -0.043 -6.217 -3.224
69 HA PHE 11 HA PHE 11 -1.643 -5.031 -4.112
70 HB2 PHE 11 2HB PHE 11 -3.501 -7.116 -2.952
71 HB3 PHE 11 1HB PHE 11 -4.015 -5.843 -4.057
72 HD1 PHE 11 1HD PHE 11 -2.467 -9.085 -3.760
73 HD2 PHE 11 2HD PHE 11 -3.025 -5.754 -6.350
74 HE1 PHE 11 1HE PHE 11 -1.774 -10.462 -5.675
75 HE2 PHE 11 2HE PHE 11 -2.339 -7.129 -8.269
76 HZ PHE 11 HZ PHE 11 -1.710 -9.480 -7.933
77 H LEU 12 HN LEU 12 -0.808 -4.719 -1.224
78 HA LEU 12 HA LEU 12 -3.024 -2.971 -0.468
79 HB2 LEU 12 2HB LEU 12 -1.927 -4.729 1.159
80 HB3 LEU 12 1HB LEU 12 -0.624 -3.564 1.254
81 HG LEU 12 HG LEU 12 -2.238 -1.870 2.092
82 HD11 LEU 12 1HD1 LEU 12 -4.280 -2.773 1.147
83 HD12 LEU 12 2HD1 LEU 12 -4.410 -2.661 2.900
84 HD13 LEU 12 3HD1 LEU 12 -4.112 -4.222 2.139
85 HD21 LEU 12 1HD2 LEU 12 -2.112 -4.431 3.671
86 HD22 LEU 12 2HD2 LEU 12 -2.469 -2.830 4.322
87 HD23 LEU 12 3HD2 LEU 12 -0.877 -3.175 3.648
88 H PHE 13 HN PHE 13 -2.738 -1.088 -1.448
89 HA PHE 13 HA PHE 13 -0.047 -0.223 -2.110
90 HB2 PHE 13 2HB PHE 13 -2.732 0.802 -3.059
91 HB3 PHE 13 1HB PHE 13 -1.175 1.423 -3.591
92 HD1 PHE 13 1HD PHE 13 -3.693 -1.085 -4.077
93 HD2 PHE 13 2HD PHE 13 0.387 -0.139 -4.820
94 HE1 PHE 13 1HE PHE 13 -3.624 -2.799 -5.843
95 HE2 PHE 13 2HE PHE 13 0.466 -1.846 -6.590
96 HZ PHE 13 HZ PHE 13 -1.542 -3.182 -7.105
97 H CYS 14 HN CYS 14 0.280 2.203 -2.025
98 HA CYS 14 HA CYS 14 -0.457 3.008 0.675
99 HB2 CYS 14 2HB CYS 14 1.634 4.229 -1.085
100 HB3 CYS 14 1HB CYS 14 1.458 4.400 0.651
101 H ILE 15 HN ILE 15 -1.741 4.604 0.981
102 HA ILE 15 HA ILE 15 -2.123 6.648 -1.020
103 HB ILE 15 HB ILE 15 -4.325 5.261 0.546
104 HG12 ILE 15 2HG1 ILE 15 -3.850 5.472 -2.445
105 HG13 ILE 15 1HG1 ILE 15 -3.660 4.027 -1.465
106 HG21 ILE 15 1HG2 ILE 15 -4.731 7.676 0.497
107 HG22 ILE 15 2HG2 ILE 15 -5.914 6.816 -0.486
108 HG23 ILE 15 3HG2 ILE 15 -4.585 7.669 -1.264
109 HD11 ILE 15 1HD1 ILE 15 -6.083 4.025 -1.044
110 HD12 ILE 15 2HD1 ILE 15 -5.703 3.947 -2.764
111 HD13 ILE 15 3HD1 ILE 15 -6.238 5.467 -2.048
112 H GLU 16 HN GLU 16 -1.484 8.311 -0.169
113 HA GLU 16 HA GLU 16 -0.763 9.962 1.148
114 HB2 GLU 16 2HB GLU 16 -2.830 8.848 2.945
115 HB3 GLU 16 1HB GLU 16 -1.974 10.378 3.244
116 HG2 GLU 16 2HG GLU 16 -2.931 11.230 1.134
117 HG3 GLU 16 1HG GLU 16 -3.811 9.714 0.949
118 H GLY 17 HN GLY 17 0.281 7.229 1.329
119 HA2 GLY 17 2HA GLY 17 2.273 6.524 2.339
120 HA3 GLY 17 1HA GLY 17 1.985 7.661 3.652
121 H ILE 18 HN ILE 18 -0.869 6.180 3.216
122 HA ILE 18 HA ILE 18 -0.312 4.254 5.346
123 HB ILE 18 HB ILE 18 -2.990 5.317 4.360
124 HG12 ILE 18 2HG1 ILE 18 -1.385 6.114 6.802
125 HG13 ILE 18 1HG1 ILE 18 -1.620 7.098 5.364
126 HG21 ILE 18 1HG2 ILE 18 -2.300 3.766 6.863
127 HG22 ILE 18 2HG2 ILE 18 -3.102 3.102 5.446
128 HG23 ILE 18 3HG2 ILE 18 -3.904 4.345 6.410
129 HD11 ILE 18 1HD1 ILE 18 -3.769 6.211 7.273
130 HD12 ILE 18 2HD1 ILE 18 -4.016 7.201 5.837
131 HD13 ILE 18 3HD1 ILE 18 -3.056 7.820 7.182
132 H CYS 19 HN CYS 19 -0.679 2.111 5.003
133 HA CYS 19 HA CYS 19 -0.954 1.213 2.290
134 HB2 CYS 19 2HB CYS 19 -0.798 -0.389 4.847
135 HB3 CYS 19 1HB CYS 19 -0.505 -0.966 3.217
136 H VAL 20 HN VAL 20 -2.957 1.131 1.471
137 HA VAL 20 HA VAL 20 -5.089 -0.120 3.015
138 HB VAL 20 HB VAL 20 -6.743 1.591 2.210
139 HG11 VAL 20 1HG1 VAL 20 -5.956 1.759 4.487
140 HG12 VAL 20 2HG1 VAL 20 -6.180 3.371 3.803
141 HG13 VAL 20 3HG1 VAL 20 -4.558 2.693 3.955
142 HG21 VAL 20 1HG2 VAL 20 -5.949 3.773 1.446
143 HG22 VAL 20 2HG2 VAL 20 -5.475 2.477 0.342
144 HG23 VAL 20 3HG2 VAL 20 -4.293 3.164 1.454
145 HA PRO 21 HA PRO 21 -5.865 -1.961 -0.963
146 HB2 PRO 21 2HB PRO 21 -8.514 -2.575 -0.730
147 HB3 PRO 21 1HB PRO 21 -7.252 -3.498 0.091
148 HG2 PRO 21 2HG PRO 21 -9.072 -1.398 1.179
149 HG3 PRO 21 1HG PRO 21 -8.502 -2.895 1.936
150 HD2 PRO 21 2HD PRO 21 -7.463 -0.430 2.485
151 HD3 PRO 21 1HD PRO 21 -6.549 -1.942 2.634
152 H MET 22 HN MET 22 -6.269 -0.970 -2.906
153 HA MET 22 HA MET 22 -7.508 1.540 -2.792
154 HB2 MET 22 2HB MET 22 -5.524 0.990 -4.269
155 HB3 MET 22 1HB MET 22 -6.695 0.084 -5.252
156 HG2 MET 22 2HG MET 22 -7.892 2.066 -5.794
157 HG3 MET 22 1HG MET 22 -6.896 3.020 -4.698
158 HE1 MET 22 1HE MET 22 -7.448 3.881 -7.689
159 HE2 MET 22 2HE MET 22 -5.835 4.412 -8.168
160 HE3 MET 22 3HE MET 22 -6.447 4.791 -6.560
161 H ILE 23 HN ILE 23 -9.373 2.067 -3.767
162 HA ILE 23 HA ILE 23 -11.058 -0.154 -4.552
163 HB ILE 23 HB ILE 23 -11.545 0.348 -2.259
164 HG12 ILE 23 2HG1 ILE 23 -14.020 0.762 -2.408
165 HG13 ILE 23 1HG1 ILE 23 -13.786 1.143 -4.112
166 HG21 ILE 23 1HG2 ILE 23 -12.280 3.149 -3.052
167 HG22 ILE 23 2HG2 ILE 23 -10.919 2.645 -2.050
168 HG23 ILE 23 3HG2 ILE 23 -12.569 2.425 -1.470
169 HD11 ILE 23 1HD1 ILE 23 -14.560 -1.131 -3.822
170 HD12 ILE 23 2HD1 ILE 23 -13.184 -1.489 -2.784
171 HD13 ILE 23 3HD1 ILE 23 -12.930 -1.119 -4.489
172 HN1 NH2 24 HN1 NH2 24 -11.232 3.399 -4.513
173 HN2 NH2 24 HN2 NH2 24 -11.839 3.528 -6.124
Start of MODEL 4
1 H1 ALA 1 1HT ALA 1 3.062 7.207 -1.517
2 H2 ALA 1 2HT ALA 1 4.119 8.410 -2.032
3 H3 ALA 1 3HT ALA 1 4.175 7.842 -0.430
4 HA ALA 1 HA ALA 1 4.783 6.239 -2.816
5 HB1 ALA 1 1HB ALA 1 6.596 7.402 -0.710
6 HB2 ALA 1 2HB ALA 1 6.488 7.929 -2.390
7 HB3 ALA 1 3HB ALA 1 7.087 6.314 -2.008
8 H CYS 2 HN CYS 2 5.776 4.206 -2.154
9 HA CYS 2 HA CYS 2 4.647 3.189 0.342
10 HB2 CYS 2 2HB CYS 2 5.869 1.761 -2.035
11 HB3 CYS 2 1HB CYS 2 5.200 0.966 -0.612
12 H LYS 3 HN LYS 3 6.018 2.178 1.837
13 HA LYS 3 HA LYS 3 8.793 3.015 1.567
14 HB2 LYS 3 2HB LYS 3 7.493 3.694 3.606
15 HB3 LYS 3 1HB LYS 3 7.358 1.993 4.027
16 HG2 LYS 3 2HG LYS 3 9.810 1.848 4.146
17 HG3 LYS 3 1HG LYS 3 9.905 3.567 3.782
18 HD2 LYS 3 2HD LYS 3 8.578 4.036 5.807
19 HD3 LYS 3 1HD LYS 3 8.605 2.312 6.190
20 HE2 LYS 3 2HE LYS 3 11.063 2.389 6.204
21 HE3 LYS 3 1HE LYS 3 10.995 4.120 5.911
22 HZ1 LYS 3 1HZ LYS 3 9.917 2.707 8.270
23 HZ2 LYS 3 2HZ LYS 3 9.813 4.380 8.029
24 HZ3 LYS 3 3HZ LYS 3 11.305 3.650 8.248
25 H GLU 4 HN GLU 4 6.880 0.218 2.731
26 HA GLU 4 HA GLU 4 8.826 -1.563 1.530
27 HB2 GLU 4 2HB GLU 4 7.499 -1.840 4.190
28 HB3 GLU 4 1HB GLU 4 8.524 -3.027 3.408
29 HG2 GLU 4 2HG GLU 4 10.460 -1.572 3.642
30 HG3 GLU 4 1HG GLU 4 9.446 -0.295 4.310
31 H TYR 5 HN TYR 5 7.614 -2.308 0.011
32 HA TYR 5 HA TYR 5 4.788 -2.396 -0.143
33 HB2 TYR 5 2HB TYR 5 6.358 -2.451 -2.102
34 HB3 TYR 5 1HB TYR 5 6.724 -4.114 -1.704
35 HD1 TYR 5 1HD TYR 5 5.272 -5.904 -2.376
36 HD2 TYR 5 2HD TYR 5 4.026 -1.863 -2.884
37 HE1 TYR 5 1HE TYR 5 3.398 -6.659 -3.761
38 HE2 TYR 5 2HE TYR 5 2.149 -2.612 -4.267
39 HH TYR 5 HH TYR 5 1.563 -4.565 -5.678
40 H TRP 6 HN TRP 6 7.101 -4.860 0.462
41 HA TRP 6 HA TRP 6 5.360 -7.058 0.789
42 HB2 TRP 6 2HB TRP 6 7.282 -8.188 1.916
43 HB3 TRP 6 1HB TRP 6 7.704 -7.458 0.371
44 HD1 TRP 6 1HD TRP 6 8.326 -7.104 4.124
45 HE1 TRP 6 1HE TRP 6 10.333 -5.511 4.484
46 HE3 TRP 6 3HE TRP 6 9.031 -5.536 -0.692
47 HZ2 TRP 6 2HZ TRP 6 11.978 -3.859 2.956
48 HZ3 TRP 6 3HZ TRP 6 10.850 -3.951 -1.151
49 HH2 TRP 6 2HH TRP 6 12.292 -3.134 0.640
50 H GLU 7 HN GLU 7 6.251 -4.548 2.997
51 HA GLU 7 HA GLU 7 5.518 -5.851 5.428
52 HB2 GLU 7 2HB GLU 7 7.064 -3.945 5.353
53 HB3 GLU 7 1HB GLU 7 5.785 -2.936 4.707
54 HG2 GLU 7 2HG GLU 7 6.188 -2.463 7.046
55 HG3 GLU 7 1HG GLU 7 4.571 -3.117 6.798
56 H CYS 8 HN CYS 8 3.930 -4.037 3.032
57 HA CYS 8 HA CYS 8 1.502 -3.782 4.556
58 HB2 CYS 8 2HB CYS 8 2.187 -2.970 1.751
59 HB3 CYS 8 1HB CYS 8 0.750 -2.508 2.658
60 H GLY 9 HN GLY 9 2.681 -5.402 1.689
61 HA2 GLY 9 2HA GLY 9 1.900 -7.758 1.500
62 HA3 GLY 9 1HA GLY 9 0.284 -7.107 1.763
63 H ALA 10 HN ALA 10 0.209 -8.375 -0.367
64 HA ALA 10 HA ALA 10 1.251 -6.926 -2.643
65 HB1 ALA 10 1HB ALA 10 1.319 -9.370 -2.640
66 HB2 ALA 10 2HB ALA 10 0.323 -8.760 -3.961
67 HB3 ALA 10 3HB ALA 10 -0.438 -9.420 -2.512
68 H PHE 11 HN PHE 11 0.085 -5.768 -4.049
69 HA PHE 11 HA PHE 11 -1.577 -4.687 -5.070
70 HB2 PHE 11 2HB PHE 11 -3.392 -6.636 -3.652
71 HB3 PHE 11 1HB PHE 11 -3.967 -5.433 -4.798
72 HD1 PHE 11 1HD PHE 11 -3.307 -5.583 -7.163
73 HD2 PHE 11 2HD PHE 11 -2.323 -8.636 -4.375
74 HE1 PHE 11 1HE PHE 11 -2.867 -7.119 -9.013
75 HE2 PHE 11 2HE PHE 11 -1.874 -10.181 -6.232
76 HZ PHE 11 HZ PHE 11 -2.149 -9.412 -8.559
77 H LEU 12 HN LEU 12 -0.679 -4.113 -2.244
78 HA LEU 12 HA LEU 12 -2.859 -2.463 -1.301
79 HB2 LEU 12 2HB LEU 12 -0.057 -2.975 -0.351
80 HB3 LEU 12 1HB LEU 12 -0.915 -1.558 0.202
81 HG LEU 12 HG LEU 12 -0.997 -3.370 1.847
82 HD11 LEU 12 1HD1 LEU 12 -3.679 -2.806 0.635
83 HD12 LEU 12 2HD1 LEU 12 -2.805 -1.790 1.778
84 HD13 LEU 12 3HD1 LEU 12 -3.372 -3.383 2.271
85 HD21 LEU 12 1HD2 LEU 12 -0.911 -5.297 0.351
86 HD22 LEU 12 2HD2 LEU 12 -2.526 -4.914 -0.244
87 HD23 LEU 12 3HD2 LEU 12 -2.296 -5.400 1.436
88 H PHE 13 HN PHE 13 -2.919 -0.213 -1.398
89 HA PHE 13 HA PHE 13 -1.018 0.983 -3.278
90 HB2 PHE 13 2HB PHE 13 -3.897 1.672 -2.664
91 HB3 PHE 13 1HB PHE 13 -2.828 2.736 -3.564
92 HD1 PHE 13 1HD PHE 13 -4.359 -0.634 -3.589
93 HD2 PHE 13 2HD PHE 13 -2.528 2.460 -5.853
94 HE1 PHE 13 1HE PHE 13 -4.974 -1.789 -5.650
95 HE2 PHE 13 2HE PHE 13 -3.143 1.301 -7.933
96 HZ PHE 13 HZ PHE 13 -4.371 -0.829 -7.830
97 H CYS 14 HN CYS 14 -0.046 2.867 -2.653
98 HA CYS 14 HA CYS 14 -0.330 3.353 0.188
99 HB2 CYS 14 2HB CYS 14 1.879 4.146 -1.661
100 HB3 CYS 14 1HB CYS 14 1.864 4.365 0.080
101 H ILE 15 HN ILE 15 -1.021 5.072 0.943
102 HA ILE 15 HA ILE 15 -1.444 7.459 -0.659
103 HB ILE 15 HB ILE 15 -3.515 6.202 1.176
104 HG12 ILE 15 2HG1 ILE 15 -3.601 6.409 -1.853
105 HG13 ILE 15 1HG1 ILE 15 -3.305 4.928 -0.957
106 HG21 ILE 15 1HG2 ILE 15 -3.605 8.611 1.169
107 HG22 ILE 15 2HG2 ILE 15 -4.994 7.979 0.276
108 HG23 ILE 15 3HG2 ILE 15 -3.605 8.632 -0.593
109 HD11 ILE 15 1HD1 ILE 15 -5.550 5.074 0.006
110 HD12 ILE 15 2HD1 ILE 15 -5.595 5.042 -1.757
111 HD13 ILE 15 3HD1 ILE 15 -5.833 6.563 -0.895
112 H GLU 16 HN GLU 16 -0.386 8.882 0.429
113 HA GLU 16 HA GLU 16 0.537 10.186 1.983
114 HB2 GLU 16 2HB GLU 16 -1.512 8.844 3.642
115 HB3 GLU 16 1HB GLU 16 -0.470 10.151 4.257
116 HG2 GLU 16 2HG GLU 16 -1.423 11.646 2.567
117 HG3 GLU 16 1HG GLU 16 -2.439 10.333 1.972
118 H GLY 17 HN GLY 17 1.412 7.488 1.431
119 HA2 GLY 17 2HA GLY 17 3.367 6.342 2.050
120 HA3 GLY 17 1HA GLY 17 3.401 7.281 3.537
121 H ILE 18 HN ILE 18 0.367 6.131 3.264
122 HA ILE 18 HA ILE 18 0.936 3.850 5.014
123 HB ILE 18 HB ILE 18 -1.681 5.338 4.586
124 HG12 ILE 18 2HG1 ILE 18 0.282 5.657 6.874
125 HG13 ILE 18 1HG1 ILE 18 0.086 6.809 5.560
126 HG21 ILE 18 1HG2 ILE 18 -2.356 4.239 6.676
127 HG22 ILE 18 2HG2 ILE 18 -0.804 3.403 6.736
128 HG23 ILE 18 3HG2 ILE 18 -1.939 3.062 5.430
129 HD11 ILE 18 1HD1 ILE 18 -2.016 6.050 7.579
130 HD12 ILE 18 2HD1 ILE 18 -2.221 7.209 6.265
131 HD13 ILE 18 3HD1 ILE 18 -1.076 7.543 7.563
132 H CYS 19 HN CYS 19 0.149 1.834 4.373
133 HA CYS 19 HA CYS 19 -0.653 1.645 1.600
134 HB2 CYS 19 2HB CYS 19 -0.087 -0.526 3.610
135 HB3 CYS 19 1HB CYS 19 -0.261 -0.712 1.875
136 H VAL 20 HN VAL 20 -2.707 1.686 1.098
137 HA VAL 20 HA VAL 20 -4.689 0.678 3.022
138 HB VAL 20 HB VAL 20 -5.073 2.853 0.935
139 HG11 VAL 20 1HG1 VAL 20 -7.177 3.325 2.081
140 HG12 VAL 20 2HG1 VAL 20 -6.869 1.995 3.194
141 HG13 VAL 20 3HG1 VAL 20 -7.125 1.666 1.482
142 HG21 VAL 20 1HG2 VAL 20 -3.560 3.662 2.653
143 HG22 VAL 20 2HG2 VAL 20 -4.686 3.153 3.910
144 HG23 VAL 20 3HG2 VAL 20 -5.132 4.453 2.802
145 HA PRO 21 HA PRO 21 -5.648 -2.084 -0.422
146 HB2 PRO 21 2HB PRO 21 -8.035 -3.032 0.556
147 HB3 PRO 21 1HB PRO 21 -6.466 -3.639 1.092
148 HG2 PRO 21 2HG PRO 21 -8.286 -1.670 2.403
149 HG3 PRO 21 1HG PRO 21 -7.310 -2.955 3.136
150 HD2 PRO 21 2HD PRO 21 -6.580 -0.343 3.166
151 HD3 PRO 21 1HD PRO 21 -5.403 -1.670 3.143
152 H MET 22 HN MET 22 -6.665 -1.555 -2.299
153 HA MET 22 HA MET 22 -8.525 0.587 -2.099
154 HB2 MET 22 2HB MET 22 -6.514 1.104 -3.351
155 HB3 MET 22 1HB MET 22 -6.843 -0.252 -4.431
156 HG2 MET 22 2HG MET 22 -7.366 1.946 -5.413
157 HG3 MET 22 1HG MET 22 -8.757 0.864 -5.328
158 HE1 MET 22 1HE MET 22 -10.281 4.438 -4.778
159 HE2 MET 22 2HE MET 22 -10.312 2.983 -5.774
160 HE3 MET 22 3HE MET 22 -8.896 4.037 -5.794
161 H ILE 23 HN ILE 23 -10.283 0.587 -3.506
162 HA ILE 23 HA ILE 23 -11.313 -2.097 -3.979
163 HB ILE 23 HB ILE 23 -12.761 -0.845 -2.543
164 HG12 ILE 23 2HG1 ILE 23 -14.001 -0.936 -5.307
165 HG13 ILE 23 1HG1 ILE 23 -13.903 -2.271 -4.166
166 HG21 ILE 23 1HG2 ILE 23 -13.821 1.290 -3.140
167 HG22 ILE 23 2HG2 ILE 23 -12.821 1.357 -4.590
168 HG23 ILE 23 3HG2 ILE 23 -12.066 1.405 -2.997
169 HD11 ILE 23 1HD1 ILE 23 -15.461 0.272 -3.787
170 HD12 ILE 23 2HD1 ILE 23 -15.353 -1.057 -2.631
171 HD13 ILE 23 3HD1 ILE 23 -16.117 -1.314 -4.199
172 HN1 NH2 24 HN1 NH2 24 -10.548 -2.681 -5.886
173 HN2 NH2 24 HN2 NH2 24 -10.774 -1.826 -7.370
Start of MODEL 5
1 H1 ALA 1 1HT ALA 1 2.431 6.596 -2.382
2 H2 ALA 1 2HT ALA 1 2.954 7.908 -3.300
3 H3 ALA 1 3HT ALA 1 3.688 7.542 -1.810
4 HA ALA 1 HA ALA 1 3.756 5.781 -4.146
5 HB1 ALA 1 1HB ALA 1 5.895 7.549 -2.960
6 HB2 ALA 1 2HB ALA 1 5.113 7.776 -4.526
7 HB3 ALA 1 3HB ALA 1 6.137 6.368 -4.244
8 H CYS 2 HN CYS 2 3.982 3.740 -3.459
9 HA CYS 2 HA CYS 2 4.423 3.055 -0.750
10 HB2 CYS 2 2HB CYS 2 4.622 1.356 -3.243
11 HB3 CYS 2 1HB CYS 2 4.615 0.728 -1.600
12 H LYS 3 HN LYS 3 6.226 2.271 0.279
13 HA LYS 3 HA LYS 3 8.756 2.800 -1.113
14 HB2 LYS 3 2HB LYS 3 8.122 2.697 1.824
15 HB3 LYS 3 1HB LYS 3 9.741 2.867 1.174
16 HG2 LYS 3 2HG LYS 3 9.003 4.962 0.063
17 HG3 LYS 3 1HG LYS 3 7.454 4.799 0.892
18 HD2 LYS 3 2HD LYS 3 8.895 6.318 2.137
19 HD3 LYS 3 1HD LYS 3 8.635 4.842 3.057
20 HE2 LYS 3 2HE LYS 3 10.982 5.575 3.149
21 HE3 LYS 3 1HE LYS 3 10.816 4.000 2.396
22 HZ1 LYS 3 1HZ LYS 3 12.373 5.463 1.216
23 HZ2 LYS 3 2HZ LYS 3 11.136 6.556 0.883
24 HZ3 LYS 3 3HZ LYS 3 11.104 5.013 0.228
25 H GLU 4 HN GLU 4 7.405 0.575 1.289
26 HA GLU 4 HA GLU 4 9.171 -1.467 0.194
27 HB2 GLU 4 2HB GLU 4 8.589 -0.773 3.020
28 HB3 GLU 4 1HB GLU 4 8.873 -2.448 2.623
29 HG2 GLU 4 2HG GLU 4 10.913 -1.391 3.450
30 HG3 GLU 4 1HG GLU 4 11.091 -1.927 1.795
31 H TYR 5 HN TYR 5 8.313 -3.228 -0.376
32 HA TYR 5 HA TYR 5 5.536 -3.534 -0.811
33 HB2 TYR 5 2HB TYR 5 7.379 -4.508 -2.186
34 HB3 TYR 5 1HB TYR 5 7.716 -5.614 -0.877
35 HD1 TYR 5 1HD TYR 5 6.318 -7.558 -0.480
36 HD2 TYR 5 2HD TYR 5 5.346 -4.772 -3.538
37 HE1 TYR 5 1HE TYR 5 4.733 -9.169 -1.427
38 HE2 TYR 5 2HE TYR 5 3.771 -6.356 -4.494
39 HH TYR 5 HH TYR 5 2.742 -9.180 -2.864
40 H TRP 6 HN TRP 6 7.776 -4.989 1.347
41 HA TRP 6 HA TRP 6 5.959 -6.765 2.599
42 HB2 TRP 6 2HB TRP 6 7.752 -7.134 4.288
43 HB3 TRP 6 1HB TRP 6 8.237 -7.316 2.602
44 HD1 TRP 6 1HD TRP 6 10.145 -5.807 1.704
45 HE1 TRP 6 1HE TRP 6 11.725 -4.095 2.791
46 HE3 TRP 6 3HE TRP 6 7.799 -5.287 6.217
47 HZ2 TRP 6 2HZ TRP 6 11.937 -2.702 5.230
48 HZ3 TRP 6 3HZ TRP 6 8.758 -3.745 7.859
49 HH2 TRP 6 2HH TRP 6 10.788 -2.479 7.366
50 H GLU 7 HN GLU 7 6.471 -3.460 3.078
51 HA GLU 7 HA GLU 7 5.577 -3.412 5.788
52 HB2 GLU 7 2HB GLU 7 6.797 -1.455 4.791
53 HB3 GLU 7 1HB GLU 7 5.379 -1.121 3.803
54 HG2 GLU 7 2HG GLU 7 4.048 -0.801 5.840
55 HG3 GLU 7 1HG GLU 7 5.480 -1.091 6.812
56 H CYS 8 HN CYS 8 4.034 -3.364 2.732
57 HA CYS 8 HA CYS 8 1.406 -3.130 3.867
58 HB2 CYS 8 2HB CYS 8 2.332 -3.799 1.073
59 HB3 CYS 8 1HB CYS 8 0.665 -3.538 1.556
60 H GLY 9 HN GLY 9 3.550 -5.546 2.563
61 HA2 GLY 9 2HA GLY 9 3.620 -7.766 3.446
62 HA3 GLY 9 1HA GLY 9 1.893 -7.645 3.796
63 H ALA 10 HN ALA 10 0.648 -7.004 1.758
64 HA ALA 10 HA ALA 10 1.546 -8.697 -0.448
65 HB1 ALA 10 1HB ALA 10 -1.252 -7.912 0.375
66 HB2 ALA 10 2HB ALA 10 -0.514 -9.494 0.623
67 HB3 ALA 10 3HB ALA 10 -0.834 -8.914 -1.012
68 H PHE 11 HN PHE 11 0.387 -7.778 -2.583
69 HA PHE 11 HA PHE 11 1.379 -5.116 -2.724
70 HB2 PHE 11 2HB PHE 11 0.697 -5.175 -5.154
71 HB3 PHE 11 1HB PHE 11 1.859 -6.393 -4.675
72 HD1 PHE 11 1HD PHE 11 -1.442 -5.731 -6.004
73 HD2 PHE 11 2HD PHE 11 1.167 -8.743 -4.526
74 HE1 PHE 11 1HE PHE 11 -2.849 -7.450 -7.034
75 HE2 PHE 11 2HE PHE 11 -0.245 -10.467 -5.546
76 HZ PHE 11 HZ PHE 11 -2.255 -9.815 -6.801
77 H LEU 12 HN LEU 12 0.367 -3.668 -1.784
78 HA LEU 12 HA LEU 12 -2.471 -3.305 -2.344
79 HB2 LEU 12 2HB LEU 12 -2.043 -4.358 -0.122
80 HB3 LEU 12 1HB LEU 12 -1.079 -2.974 0.321
81 HG LEU 12 HG LEU 12 -3.026 -1.563 0.420
82 HD11 LEU 12 1HD1 LEU 12 -5.266 -2.477 -0.055
83 HD12 LEU 12 2HD1 LEU 12 -4.530 -3.994 -0.580
84 HD13 LEU 12 3HD1 LEU 12 -4.252 -2.511 -1.496
85 HD21 LEU 12 1HD2 LEU 12 -4.297 -2.697 2.161
86 HD22 LEU 12 2HD2 LEU 12 -2.563 -2.948 2.358
87 HD23 LEU 12 3HD2 LEU 12 -3.570 -4.236 1.697
88 H PHE 13 HN PHE 13 -3.123 -1.041 -2.100
89 HA PHE 13 HA PHE 13 -1.090 0.677 -3.195
90 HB2 PHE 13 2HB PHE 13 -4.047 1.074 -2.742
91 HB3 PHE 13 1HB PHE 13 -2.993 2.288 -3.458
92 HD1 PHE 13 1HD PHE 13 -4.543 -1.013 -3.950
93 HD2 PHE 13 2HD PHE 13 -2.200 2.079 -5.682
94 HE1 PHE 13 1HE PHE 13 -4.843 -2.028 -6.161
95 HE2 PHE 13 2HE PHE 13 -2.495 1.076 -7.887
96 HZ PHE 13 HZ PHE 13 -3.819 -0.992 -8.137
97 H CYS 14 HN CYS 14 -0.336 2.530 -2.297
98 HA CYS 14 HA CYS 14 -0.796 2.682 0.583
99 HB2 CYS 14 2HB CYS 14 1.511 3.843 -0.945
100 HB3 CYS 14 1HB CYS 14 1.379 3.599 0.786
101 H ILE 15 HN ILE 15 -1.653 4.404 1.385
102 HA ILE 15 HA ILE 15 -1.675 6.894 -0.096
103 HB ILE 15 HB ILE 15 -4.018 5.746 1.471
104 HG12 ILE 15 2HG1 ILE 15 -5.328 6.191 -0.714
105 HG13 ILE 15 1HG1 ILE 15 -3.766 6.337 -1.494
106 HG21 ILE 15 1HG2 ILE 15 -5.231 7.825 0.908
107 HG22 ILE 15 2HG2 ILE 15 -3.743 8.463 0.210
108 HG23 ILE 15 3HG2 ILE 15 -3.819 8.092 1.931
109 HD11 ILE 15 1HD1 ILE 15 -4.859 3.894 -0.120
110 HD12 ILE 15 2HD1 ILE 15 -3.271 4.013 -0.877
111 HD13 ILE 15 3HD1 ILE 15 -4.730 4.150 -1.859
112 H GLU 16 HN GLU 16 -0.530 8.104 1.059
113 HA GLU 16 HA GLU 16 0.518 9.190 2.715
114 HB2 GLU 16 2HB GLU 16 -1.974 8.352 4.061
115 HB3 GLU 16 1HB GLU 16 -0.735 9.314 4.897
116 HG2 GLU 16 2HG GLU 16 -2.168 10.082 2.355
117 HG3 GLU 16 1HG GLU 16 -2.520 10.734 3.960
118 H GLY 17 HN GLY 17 0.945 6.342 2.313
119 HA2 GLY 17 2HA GLY 17 2.724 5.055 3.164
120 HA3 GLY 17 1HA GLY 17 2.620 5.971 4.666
121 H ILE 18 HN ILE 18 -0.407 5.180 3.847
122 HA ILE 18 HA ILE 18 -0.397 2.809 5.565
123 HB ILE 18 HB ILE 18 -2.736 4.574 4.757
124 HG12 ILE 18 2HG1 ILE 18 -1.169 4.650 7.347
125 HG13 ILE 18 1HG1 ILE 18 -1.023 5.839 6.061
126 HG21 ILE 18 1HG2 ILE 18 -3.859 3.501 6.660
127 HG22 ILE 18 2HG2 ILE 18 -2.418 2.528 6.958
128 HG23 ILE 18 3HG2 ILE 18 -3.335 2.311 5.468
129 HD11 ILE 18 1HD1 ILE 18 -2.429 6.655 7.857
130 HD12 ILE 18 2HD1 ILE 18 -3.500 5.267 7.670
131 HD13 ILE 18 3HD1 ILE 18 -3.367 6.458 6.376
132 H CYS 19 HN CYS 19 -0.893 0.903 4.546
133 HA CYS 19 HA CYS 19 -1.445 1.027 1.730
134 HB2 CYS 19 2HB CYS 19 -1.272 -1.451 3.442
135 HB3 CYS 19 1HB CYS 19 -0.976 -1.297 1.723
136 H VAL 20 HN VAL 20 -3.440 1.238 1.050
137 HA VAL 20 HA VAL 20 -5.676 0.053 2.541
138 HB VAL 20 HB VAL 20 -5.672 2.844 1.324
139 HG11 VAL 20 1HG1 VAL 20 -7.863 3.129 2.358
140 HG12 VAL 20 2HG1 VAL 20 -7.806 1.460 2.924
141 HG13 VAL 20 3HG1 VAL 20 -7.854 1.800 1.196
142 HG21 VAL 20 1HG2 VAL 20 -5.674 2.069 4.238
143 HG22 VAL 20 2HG2 VAL 20 -5.873 3.707 3.615
144 HG23 VAL 20 3HG2 VAL 20 -4.355 2.846 3.364
145 HA PRO 21 HA PRO 21 -6.711 -1.498 -1.574
146 HB2 PRO 21 2HB PRO 21 -9.493 -1.268 -0.515
147 HB3 PRO 21 1HB PRO 21 -8.700 -2.653 -1.275
148 HG2 PRO 21 2HG PRO 21 -9.109 -2.618 1.351
149 HG3 PRO 21 1HG PRO 21 -7.604 -3.266 0.678
150 HD2 PRO 21 2HD PRO 21 -8.105 -0.647 2.020
151 HD3 PRO 21 1HD PRO 21 -6.688 -1.717 2.106
152 H MET 22 HN MET 22 -6.788 -0.184 -3.265
153 HA MET 22 HA MET 22 -7.500 2.475 -3.121
154 HB2 MET 22 2HB MET 22 -5.900 1.346 -4.750
155 HB3 MET 22 1HB MET 22 -7.367 0.871 -5.615
156 HG2 MET 22 2HG MET 22 -7.926 3.158 -6.047
157 HG3 MET 22 1HG MET 22 -6.542 3.707 -5.099
158 HE1 MET 22 1HE MET 22 -5.602 5.195 -7.045
159 HE2 MET 22 2HE MET 22 -7.009 4.755 -8.015
160 HE3 MET 22 3HE MET 22 -5.390 4.626 -8.702
161 H ILE 23 HN ILE 23 -9.207 3.506 -4.008
162 HA ILE 23 HA ILE 23 -11.687 1.997 -3.859
163 HB ILE 23 HB ILE 23 -11.347 5.013 -4.064
164 HG12 ILE 23 2HG1 ILE 23 -11.822 3.300 -1.607
165 HG13 ILE 23 1HG1 ILE 23 -10.281 4.030 -2.034
166 HG21 ILE 23 1HG2 ILE 23 -13.552 4.222 -4.755
167 HG22 ILE 23 2HG2 ILE 23 -13.653 5.085 -3.220
168 HG23 ILE 23 3HG2 ILE 23 -13.717 3.323 -3.248
169 HD11 ILE 23 1HD1 ILE 23 -11.431 5.297 -0.309
170 HD12 ILE 23 2HD1 ILE 23 -12.820 5.508 -1.376
171 HD13 ILE 23 3HD1 ILE 23 -11.272 6.247 -1.786
172 HN1 NH2 24 HN1 NH2 24 -10.807 4.722 -5.929
173 HN2 NH2 24 HN2 NH2 24 -11.418 4.036 -7.391
Start of MODEL 6
1 H1 ALA 1 1HT ALA 1 3.227 4.426 -3.552
2 H2 ALA 1 2HT ALA 1 4.128 5.704 -4.181
3 H3 ALA 1 3HT ALA 1 3.171 5.929 -2.811
4 HA ALA 1 HA ALA 1 5.479 4.137 -2.901
5 HB1 ALA 1 1HB ALA 1 6.165 6.480 -3.114
6 HB2 ALA 1 2HB ALA 1 6.617 5.817 -1.542
7 HB3 ALA 1 3HB ALA 1 5.221 6.883 -1.680
8 H CYS 2 HN CYS 2 5.466 2.740 -1.287
9 HA CYS 2 HA CYS 2 3.504 3.018 0.875
10 HB2 CYS 2 2HB CYS 2 5.251 0.629 0.201
11 HB3 CYS 2 1HB CYS 2 3.787 0.643 1.171
12 H LYS 3 HN LYS 3 4.453 2.335 3.123
13 HA LYS 3 HA LYS 3 6.892 3.753 3.614
14 HB2 LYS 3 2HB LYS 3 5.074 3.484 5.302
15 HB3 LYS 3 1HB LYS 3 5.392 1.761 5.339
16 HG2 LYS 3 2HG LYS 3 7.820 2.565 5.970
17 HG3 LYS 3 1HG LYS 3 6.922 3.983 6.528
18 HD2 LYS 3 2HD LYS 3 6.397 1.126 7.332
19 HD3 LYS 3 1HD LYS 3 7.164 2.363 8.326
20 HE2 LYS 3 2HE LYS 3 5.165 3.604 8.476
21 HE3 LYS 3 1HE LYS 3 4.382 2.642 7.220
22 HZ1 LYS 3 1HZ LYS 3 4.523 0.734 8.694
23 HZ2 LYS 3 2HZ LYS 3 3.598 1.973 9.368
24 HZ3 LYS 3 3HZ LYS 3 5.171 1.691 9.923
25 H GLU 4 HN GLU 4 5.919 0.346 3.907
26 HA GLU 4 HA GLU 4 8.472 -0.485 2.887
27 HB2 GLU 4 2HB GLU 4 7.094 -1.453 5.368
28 HB3 GLU 4 1HB GLU 4 8.357 -2.356 4.559
29 HG2 GLU 4 2HG GLU 4 9.934 -0.513 4.954
30 HG3 GLU 4 1HG GLU 4 8.655 0.401 5.749
31 H TYR 5 HN TYR 5 8.133 -1.821 1.332
32 HA TYR 5 HA TYR 5 5.642 -2.399 0.230
33 HB2 TYR 5 2HB TYR 5 7.814 -2.377 -0.972
34 HB3 TYR 5 1HB TYR 5 8.228 -3.886 -0.186
35 HD1 TYR 5 1HD TYR 5 5.556 -2.421 -2.334
36 HD2 TYR 5 2HD TYR 5 7.831 -5.870 -1.330
37 HE1 TYR 5 1HE TYR 5 4.543 -3.623 -4.197
38 HE2 TYR 5 2HE TYR 5 6.818 -7.092 -3.187
39 HH TYR 5 HH TYR 5 4.900 -7.029 -4.616
40 H TRP 6 HN TRP 6 7.796 -4.495 1.905
41 HA TRP 6 HA TRP 6 6.214 -6.836 1.974
42 HB2 TRP 6 2HB TRP 6 7.814 -7.491 3.857
43 HB3 TRP 6 1HB TRP 6 8.493 -7.108 2.269
44 HD1 TRP 6 1HD TRP 6 8.093 -5.487 5.760
45 HE1 TRP 6 1HE TRP 6 9.973 -3.711 6.008
46 HE3 TRP 6 3HE TRP 6 10.159 -5.782 1.105
47 HZ2 TRP 6 2HZ TRP 6 12.027 -2.638 4.474
48 HZ3 TRP 6 3HZ TRP 6 12.082 -4.356 0.578
49 HH2 TRP 6 2HH TRP 6 12.996 -2.815 2.229
50 H GLU 7 HN GLU 7 5.967 -4.035 3.806
51 HA GLU 7 HA GLU 7 4.766 -5.170 6.155
52 HB2 GLU 7 2HB GLU 7 5.933 -3.025 6.267
53 HB3 GLU 7 1HB GLU 7 4.825 -2.333 5.098
54 HG2 GLU 7 2HG GLU 7 2.998 -2.605 6.743
55 HG3 GLU 7 1HG GLU 7 4.178 -3.204 7.906
56 H CYS 8 HN CYS 8 3.715 -4.298 3.036
57 HA CYS 8 HA CYS 8 0.927 -4.466 3.877
58 HB2 CYS 8 2HB CYS 8 2.140 -3.014 1.568
59 HB3 CYS 8 1HB CYS 8 0.465 -2.976 2.108
60 H GLY 9 HN GLY 9 3.210 -5.224 1.305
61 HA2 GLY 9 2HA GLY 9 3.110 -7.444 0.321
62 HA3 GLY 9 1HA GLY 9 1.353 -7.307 0.374
63 H ALA 10 HN ALA 10 1.475 -7.756 -1.923
64 HA ALA 10 HA ALA 10 2.489 -5.576 -3.580
65 HB1 ALA 10 1HB ALA 10 2.217 -7.143 -5.426
66 HB2 ALA 10 2HB ALA 10 1.504 -8.323 -4.329
67 HB3 ALA 10 3HB ALA 10 3.194 -7.854 -4.138
68 H PHE 11 HN PHE 11 1.150 -4.700 -5.209
69 HA PHE 11 HA PHE 11 -0.673 -3.884 -6.185
70 HB2 PHE 11 2HB PHE 11 -1.927 -6.430 -5.176
71 HB3 PHE 11 1HB PHE 11 -2.806 -5.290 -6.181
72 HD1 PHE 11 1HD PHE 11 -2.119 -4.915 -8.507
73 HD2 PHE 11 2HD PHE 11 -0.229 -7.856 -6.085
74 HE1 PHE 11 1HE PHE 11 -1.158 -5.950 -10.523
75 HE2 PHE 11 2HE PHE 11 0.739 -8.898 -8.091
76 HZ PHE 11 HZ PHE 11 0.278 -7.946 -10.316
77 H LEU 12 HN LEU 12 -0.181 -3.460 -3.166
78 HA LEU 12 HA LEU 12 -2.801 -2.504 -2.376
79 HB2 LEU 12 2HB LEU 12 -0.115 -2.419 -1.019
80 HB3 LEU 12 1HB LEU 12 -1.409 -1.383 -0.478
81 HG LEU 12 HG LEU 12 -1.285 -3.274 0.960
82 HD11 LEU 12 1HD1 LEU 12 -3.496 -2.438 0.509
83 HD12 LEU 12 2HD1 LEU 12 -3.521 -4.172 0.809
84 HD13 LEU 12 3HD1 LEU 12 -3.674 -3.568 -0.835
85 HD21 LEU 12 1HD2 LEU 12 -1.619 -5.579 0.179
86 HD22 LEU 12 2HD2 LEU 12 -0.160 -4.864 -0.502
87 HD23 LEU 12 3HD2 LEU 12 -1.616 -5.007 -1.487
88 H PHE 13 HN PHE 13 -3.453 -0.428 -2.308
89 HA PHE 13 HA PHE 13 -1.977 1.350 -4.032
90 HB2 PHE 13 2HB PHE 13 -4.712 1.596 -2.746
91 HB3 PHE 13 1HB PHE 13 -4.020 2.771 -3.859
92 HD1 PHE 13 1HD PHE 13 -3.931 2.333 -6.226
93 HD2 PHE 13 2HD PHE 13 -5.417 -0.614 -3.539
94 HE1 PHE 13 1HE PHE 13 -4.830 1.066 -8.120
95 HE2 PHE 13 2HE PHE 13 -6.321 -1.889 -5.436
96 HZ PHE 13 HZ PHE 13 -6.031 -1.049 -7.729
97 H CYS 14 HN CYS 14 -0.472 2.426 -3.087
98 HA CYS 14 HA CYS 14 -0.754 3.066 -0.262
99 HB2 CYS 14 2HB CYS 14 1.715 3.008 -1.984
100 HB3 CYS 14 1HB CYS 14 1.655 3.337 -0.256
101 H ILE 15 HN ILE 15 -0.521 5.064 0.492
102 HA ILE 15 HA ILE 15 -0.007 7.224 -1.303
103 HB ILE 15 HB ILE 15 -2.347 7.011 -1.561
104 HG12 ILE 15 2HG1 ILE 15 -1.864 9.237 0.427
105 HG13 ILE 15 1HG1 ILE 15 -1.540 9.310 -1.301
106 HG21 ILE 15 1HG2 ILE 15 -3.982 7.034 0.302
107 HG22 ILE 15 2HG2 ILE 15 -2.638 6.903 1.437
108 HG23 ILE 15 3HG2 ILE 15 -2.949 5.605 0.288
109 HD11 ILE 15 1HD1 ILE 15 -3.621 10.447 -0.726
110 HD12 ILE 15 2HD1 ILE 15 -4.247 8.954 -0.036
111 HD13 ILE 15 3HD1 ILE 15 -3.917 9.055 -1.763
112 H GLU 16 HN GLU 16 1.466 8.276 -0.360
113 HA GLU 16 HA GLU 16 2.776 9.376 1.081
114 HB2 GLU 16 2HB GLU 16 0.272 9.246 2.654
115 HB3 GLU 16 1HB GLU 16 1.676 10.204 3.163
116 HG2 GLU 16 2HG GLU 16 1.455 11.615 1.233
117 HG3 GLU 16 1HG GLU 16 0.239 10.545 0.537
118 H GLY 17 HN GLY 17 2.494 6.426 1.159
119 HA2 GLY 17 2HA GLY 17 4.100 5.014 2.231
120 HA3 GLY 17 1HA GLY 17 3.962 6.007 3.674
121 H ILE 18 HN ILE 18 0.954 5.919 3.062
122 HA ILE 18 HA ILE 18 0.415 3.675 4.810
123 HB ILE 18 HB ILE 18 -1.452 5.722 3.576
124 HG12 ILE 18 2HG1 ILE 18 0.200 6.831 5.000
125 HG13 ILE 18 1HG1 ILE 18 -1.392 6.880 5.740
126 HG21 ILE 18 1HG2 ILE 18 -3.029 5.089 5.333
127 HG22 ILE 18 2HG2 ILE 18 -1.919 3.839 5.883
128 HG23 ILE 18 3HG2 ILE 18 -2.644 3.728 4.278
129 HD11 ILE 18 1HD1 ILE 18 0.843 5.011 6.488
130 HD12 ILE 18 2HD1 ILE 18 -0.761 5.071 7.223
131 HD13 ILE 18 3HD1 ILE 18 0.331 6.443 7.385
132 H CYS 19 HN CYS 19 -0.405 1.760 4.077
133 HA CYS 19 HA CYS 19 -0.915 1.534 1.217
134 HB2 CYS 19 2HB CYS 19 -0.774 -0.689 3.250
135 HB3 CYS 19 1HB CYS 19 -0.652 -0.782 1.510
136 H VAL 20 HN VAL 20 -2.979 1.850 0.656
137 HA VAL 20 HA VAL 20 -5.043 1.104 2.570
138 HB VAL 20 HB VAL 20 -5.188 2.993 0.202
139 HG11 VAL 20 1HG1 VAL 20 -7.328 1.921 0.631
140 HG12 VAL 20 2HG1 VAL 20 -7.387 3.622 1.086
141 HG13 VAL 20 3HG1 VAL 20 -7.236 2.383 2.331
142 HG21 VAL 20 1HG2 VAL 20 -5.376 4.774 1.889
143 HG22 VAL 20 2HG2 VAL 20 -3.836 3.922 1.999
144 HG23 VAL 20 3HG2 VAL 20 -5.116 3.580 3.161
145 HA PRO 21 HA PRO 21 -6.015 -2.061 -0.528
146 HB2 PRO 21 2HB PRO 21 -8.057 -2.785 1.474
147 HB3 PRO 21 1HB PRO 21 -6.775 -3.792 0.799
148 HG2 PRO 21 2HG PRO 21 -6.724 -2.933 3.351
149 HG3 PRO 21 1HG PRO 21 -5.246 -3.154 2.398
150 HD2 PRO 21 2HD PRO 21 -6.714 -0.627 3.057
151 HD3 PRO 21 1HD PRO 21 -4.964 -0.940 2.989
152 H MET 22 HN MET 22 -7.184 -1.113 -2.086
153 HA MET 22 HA MET 22 -9.129 0.778 -1.447
154 HB2 MET 22 2HB MET 22 -7.634 0.974 -3.409
155 HB3 MET 22 1HB MET 22 -8.539 -0.384 -4.114
156 HG2 MET 22 2HG MET 22 -10.532 0.943 -4.216
157 HG3 MET 22 1HG MET 22 -9.719 2.282 -3.407
158 HE1 MET 22 1HE MET 22 -8.310 -0.096 -6.274
159 HE2 MET 22 2HE MET 22 -8.741 0.850 -7.698
160 HE3 MET 22 3HE MET 22 -10.005 0.154 -6.687
161 H ILE 23 HN ILE 23 -11.200 0.627 -1.729
162 HA ILE 23 HA ILE 23 -12.375 -1.934 -2.409
163 HB ILE 23 HB ILE 23 -12.079 -1.869 -0.004
164 HG12 ILE 23 2HG1 ILE 23 -14.435 -2.342 0.724
165 HG13 ILE 23 1HG1 ILE 23 -14.977 -1.708 -0.827
166 HG21 ILE 23 1HG2 ILE 23 -12.103 0.444 0.517
167 HG22 ILE 23 2HG2 ILE 23 -13.358 -0.351 1.470
168 HG23 ILE 23 3HG2 ILE 23 -13.794 0.588 0.042
169 HD11 ILE 23 1HD1 ILE 23 -13.760 -3.478 -1.981
170 HD12 ILE 23 2HD1 ILE 23 -14.900 -4.145 -0.818
171 HD13 ILE 23 3HD1 ILE 23 -13.180 -4.094 -0.435
172 HN1 NH2 24 HN1 NH2 24 -13.563 -1.504 -4.101
173 HN2 NH2 24 HN2 NH2 24 -14.531 -0.102 -4.358
Start of MODEL 7
1 H1 ALA 1 1HT ALA 1 5.689 8.502 -1.337
2 H2 ALA 1 2HT ALA 1 6.526 7.603 -0.194
3 H3 ALA 1 3HT ALA 1 4.864 7.817 -0.027
4 HA ALA 1 HA ALA 1 4.480 6.517 -1.999
5 HB1 ALA 1 1HB ALA 1 6.393 5.372 -3.052
6 HB2 ALA 1 2HB ALA 1 7.486 6.208 -1.959
7 HB3 ALA 1 3HB ALA 1 6.566 7.124 -3.150
8 H CYS 2 HN CYS 2 5.361 3.930 -1.985
9 HA CYS 2 HA CYS 2 4.739 3.062 0.681
10 HB2 CYS 2 2HB CYS 2 5.589 1.423 -1.706
11 HB3 CYS 2 1HB CYS 2 4.773 0.839 -0.268
12 H LYS 3 HN LYS 3 6.190 2.444 2.143
13 HA LYS 3 HA LYS 3 9.029 2.572 1.404
14 HB2 LYS 3 2HB LYS 3 7.902 2.324 4.186
15 HB3 LYS 3 1HB LYS 3 9.516 2.841 3.728
16 HG2 LYS 3 2HG LYS 3 8.565 4.878 2.748
17 HG3 LYS 3 1HG LYS 3 6.962 4.358 3.254
18 HD2 LYS 3 2HD LYS 3 9.302 5.058 5.028
19 HD3 LYS 3 1HD LYS 3 7.795 5.949 4.856
20 HE2 LYS 3 2HE LYS 3 8.199 3.237 6.129
21 HE3 LYS 3 1HE LYS 3 7.721 4.732 6.920
22 HZ1 LYS 3 1HZ LYS 3 5.627 4.587 5.496
23 HZ2 LYS 3 2HZ LYS 3 5.836 3.456 6.707
24 HZ3 LYS 3 3HZ LYS 3 6.118 2.988 5.146
25 H GLU 4 HN GLU 4 6.848 0.633 3.430
26 HA GLU 4 HA GLU 4 8.524 -1.626 2.837
27 HB2 GLU 4 2HB GLU 4 7.623 -2.645 4.793
28 HB3 GLU 4 1HB GLU 4 8.601 -1.209 5.104
29 HG2 GLU 4 2HG GLU 4 5.547 -1.304 5.193
30 HG3 GLU 4 1HG GLU 4 6.558 -1.435 6.623
31 H TYR 5 HN TYR 5 7.649 -2.052 1.089
32 HA TYR 5 HA TYR 5 4.829 -2.321 0.519
33 HB2 TYR 5 2HB TYR 5 6.651 -1.905 -1.195
34 HB3 TYR 5 1HB TYR 5 7.097 -3.587 -1.017
35 HD1 TYR 5 1HD TYR 5 5.982 -5.283 -2.241
36 HD2 TYR 5 2HD TYR 5 4.320 -1.366 -2.070
37 HE1 TYR 5 1HE TYR 5 4.377 -5.885 -3.987
38 HE2 TYR 5 2HE TYR 5 2.715 -1.962 -3.798
39 HH TYR 5 HH TYR 5 2.583 -3.598 -5.650
40 H TRP 6 HN TRP 6 7.394 -4.446 1.230
41 HA TRP 6 HA TRP 6 6.083 -6.941 1.081
42 HB2 TRP 6 2HB TRP 6 8.001 -7.764 2.498
43 HB3 TRP 6 1HB TRP 6 8.450 -6.910 1.024
44 HD1 TRP 6 1HD TRP 6 9.692 -4.584 1.272
45 HE1 TRP 6 1HE TRP 6 10.885 -3.437 3.228
46 HE3 TRP 6 3HE TRP 6 7.925 -7.473 5.111
47 HZ2 TRP 6 2HZ TRP 6 11.055 -3.706 6.036
48 HZ3 TRP 6 3HZ TRP 6 8.655 -6.957 7.402
49 HH2 TRP 6 2HH TRP 6 10.188 -5.116 7.850
50 H GLU 7 HN GLU 7 6.015 -4.528 3.523
51 HA GLU 7 HA GLU 7 5.015 -6.358 5.557
52 HB2 GLU 7 2HB GLU 7 6.619 -4.591 6.190
53 HB3 GLU 7 1HB GLU 7 5.500 -3.373 5.611
54 HG2 GLU 7 2HG GLU 7 5.391 -3.408 7.987
55 HG3 GLU 7 1HG GLU 7 3.901 -4.103 7.360
56 H CYS 8 HN CYS 8 3.881 -4.300 3.126
57 HA CYS 8 HA CYS 8 1.271 -4.012 4.300
58 HB2 CYS 8 2HB CYS 8 2.473 -3.000 1.736
59 HB3 CYS 8 1HB CYS 8 0.832 -2.671 2.272
60 H GLY 9 HN GLY 9 2.853 -5.618 1.622
61 HA2 GLY 9 2HA GLY 9 1.966 -7.919 1.251
62 HA3 GLY 9 1HA GLY 9 0.377 -7.159 1.236
63 H ALA 10 HN ALA 10 0.949 -8.595 -0.877
64 HA ALA 10 HA ALA 10 2.295 -7.039 -2.887
65 HB1 ALA 10 1HB ALA 10 1.757 -8.863 -4.400
66 HB2 ALA 10 2HB ALA 10 0.690 -9.571 -3.192
67 HB3 ALA 10 3HB ALA 10 2.428 -9.496 -2.895
68 H PHE 11 HN PHE 11 1.438 -5.728 -4.318
69 HA PHE 11 HA PHE 11 0.075 -4.553 -5.553
70 HB2 PHE 11 2HB PHE 11 -1.987 -6.682 -4.956
71 HB3 PHE 11 1HB PHE 11 -2.234 -5.363 -6.098
72 HD1 PHE 11 1HD PHE 11 -0.952 -8.659 -5.633
73 HD2 PHE 11 2HD PHE 11 -0.582 -5.167 -8.033
74 HE1 PHE 11 1HE PHE 11 0.141 -9.983 -7.383
75 HE2 PHE 11 2HE PHE 11 0.510 -6.492 -9.795
76 HZ PHE 11 HZ PHE 11 0.870 -8.908 -9.467
77 H LEU 12 HN LEU 12 0.408 -4.121 -2.741
78 HA LEU 12 HA LEU 12 -2.018 -2.679 -2.076
79 HB2 LEU 12 2HB LEU 12 0.444 -3.417 -0.597
80 HB3 LEU 12 1HB LEU 12 -0.295 -1.891 -0.175
81 HG LEU 12 HG LEU 12 -0.988 -3.638 1.356
82 HD11 LEU 12 1HD1 LEU 12 -3.401 -3.381 1.217
83 HD12 LEU 12 2HD1 LEU 12 -3.249 -2.758 -0.421
84 HD13 LEU 12 3HD1 LEU 12 -2.555 -1.864 0.930
85 HD21 LEU 12 1HD2 LEU 12 -0.773 -5.579 -0.107
86 HD22 LEU 12 2HD2 LEU 12 -2.141 -5.018 -1.066
87 HD23 LEU 12 3HD2 LEU 12 -2.383 -5.513 0.610
88 H PHE 13 HN PHE 13 -2.302 -0.730 -2.813
89 HA PHE 13 HA PHE 13 0.009 0.797 -3.663
90 HB2 PHE 13 2HB PHE 13 -2.946 1.314 -4.058
91 HB3 PHE 13 1HB PHE 13 -1.638 2.295 -4.718
92 HD1 PHE 13 1HD PHE 13 0.101 1.024 -6.159
93 HD2 PHE 13 2HD PHE 13 -3.825 -0.385 -5.350
94 HE1 PHE 13 1HE PHE 13 0.219 -0.422 -8.141
95 HE2 PHE 13 2HE PHE 13 -3.718 -1.830 -7.329
96 HZ PHE 13 HZ PHE 13 -1.689 -1.848 -8.729
97 H CYS 14 HN CYS 14 0.128 3.057 -3.034
98 HA CYS 14 HA CYS 14 -0.766 3.286 -0.260
99 HB2 CYS 14 2HB CYS 14 1.774 4.303 -1.501
100 HB3 CYS 14 1HB CYS 14 1.270 4.569 0.165
101 H ILE 15 HN ILE 15 -1.270 5.251 0.570
102 HA ILE 15 HA ILE 15 -1.334 7.611 -1.080
103 HB ILE 15 HB ILE 15 -3.694 6.657 0.612
104 HG12 ILE 15 2HG1 ILE 15 -3.577 6.983 -2.403
105 HG13 ILE 15 1HG1 ILE 15 -3.617 5.447 -1.544
106 HG21 ILE 15 1HG2 ILE 15 -3.407 9.052 0.710
107 HG22 ILE 15 2HG2 ILE 15 -4.842 8.673 -0.246
108 HG23 ILE 15 3HG2 ILE 15 -3.346 9.151 -1.049
109 HD11 ILE 15 1HD1 ILE 15 -5.802 6.001 -2.458
110 HD12 ILE 15 2HD1 ILE 15 -5.804 7.523 -1.567
111 HD13 ILE 15 3HD1 ILE 15 -5.853 5.992 -0.696
112 H GLU 16 HN GLU 16 -0.248 8.984 0.130
113 HA GLU 16 HA GLU 16 0.631 10.186 1.825
114 HB2 GLU 16 2HB GLU 16 -1.363 8.638 3.364
115 HB3 GLU 16 1HB GLU 16 -0.306 9.873 4.083
116 HG2 GLU 16 2HG GLU 16 -1.422 11.577 2.807
117 HG3 GLU 16 1HG GLU 16 -2.322 10.365 1.890
118 H GLY 17 HN GLY 17 1.269 7.196 1.176
119 HA2 GLY 17 2HA GLY 17 3.171 5.965 1.800
120 HA3 GLY 17 1HA GLY 17 3.244 6.893 3.296
121 H ILE 18 HN ILE 18 0.137 6.071 2.892
122 HA ILE 18 HA ILE 18 0.333 3.804 4.708
123 HB ILE 18 HB ILE 18 -2.061 5.423 3.776
124 HG12 ILE 18 2HG1 ILE 18 -0.593 5.559 6.420
125 HG13 ILE 18 1HG1 ILE 18 -0.443 6.739 5.124
126 HG21 ILE 18 1HG2 ILE 18 -1.831 3.370 5.979
127 HG22 ILE 18 2HG2 ILE 18 -2.702 3.180 4.458
128 HG23 ILE 18 3HG2 ILE 18 -3.256 4.356 5.650
129 HD11 ILE 18 1HD1 ILE 18 -1.932 7.521 6.878
130 HD12 ILE 18 2HD1 ILE 18 -2.959 6.106 6.647
131 HD13 ILE 18 3HD1 ILE 18 -2.800 7.301 5.363
132 H CYS 19 HN CYS 19 0.045 1.802 3.858
133 HA CYS 19 HA CYS 19 -0.649 1.517 1.086
134 HB2 CYS 19 2HB CYS 19 -0.351 -0.703 3.140
135 HB3 CYS 19 1HB CYS 19 -0.141 -0.773 1.408
136 H VAL 20 HN VAL 20 -2.720 1.444 0.455
137 HA VAL 20 HA VAL 20 -4.670 0.552 2.410
138 HB VAL 20 HB VAL 20 -4.638 2.962 2.588
139 HG11 VAL 20 1HG1 VAL 20 -5.175 4.444 0.725
140 HG12 VAL 20 2HG1 VAL 20 -5.152 3.061 -0.370
141 HG13 VAL 20 3HG1 VAL 20 -3.675 3.553 0.460
142 HG21 VAL 20 1HG2 VAL 20 -6.973 3.506 2.061
143 HG22 VAL 20 2HG2 VAL 20 -6.829 1.907 2.791
144 HG23 VAL 20 3HG2 VAL 20 -7.077 2.063 1.054
145 HA PRO 21 HA PRO 21 -6.299 -1.401 -1.240
146 HB2 PRO 21 2HB PRO 21 -8.183 -2.868 -0.004
147 HB3 PRO 21 1HB PRO 21 -6.476 -3.301 0.076
148 HG2 PRO 21 2HG PRO 21 -8.193 -2.012 2.134
149 HG3 PRO 21 1HG PRO 21 -6.848 -3.145 2.336
150 HD2 PRO 21 2HD PRO 21 -6.723 -0.378 2.664
151 HD3 PRO 21 1HD PRO 21 -5.338 -1.467 2.456
152 H MET 22 HN MET 22 -8.064 -0.933 -2.557
153 HA MET 22 HA MET 22 -9.598 1.247 -1.692
154 HB2 MET 22 2HB MET 22 -8.618 1.180 -3.946
155 HB3 MET 22 1HB MET 22 -9.664 -0.192 -4.320
156 HG2 MET 22 2HG MET 22 -11.624 1.221 -4.079
157 HG3 MET 22 1HG MET 22 -10.598 2.592 -3.665
158 HE1 MET 22 1HE MET 22 -12.807 2.698 -5.950
159 HE2 MET 22 2HE MET 22 -11.915 3.564 -7.204
160 HE3 MET 22 3HE MET 22 -11.761 4.052 -5.518
161 H ILE 23 HN ILE 23 -11.829 1.304 -1.822
162 HA ILE 23 HA ILE 23 -13.153 -1.105 -0.975
163 HB ILE 23 HB ILE 23 -13.704 0.808 0.320
164 HG12 ILE 23 2HG1 ILE 23 -16.171 1.108 0.018
165 HG13 ILE 23 1HG1 ILE 23 -16.045 0.259 -1.515
166 HG21 ILE 23 1HG2 ILE 23 -13.039 2.595 -1.087
167 HG22 ILE 23 2HG2 ILE 23 -14.699 2.884 -0.564
168 HG23 ILE 23 3HG2 ILE 23 -14.375 2.287 -2.192
169 HD11 ILE 23 1HD1 ILE 23 -15.282 -1.738 -0.343
170 HD12 ILE 23 2HD1 ILE 23 -16.855 -1.198 0.246
171 HD13 ILE 23 3HD1 ILE 23 -15.402 -0.882 1.193
172 HN1 NH2 24 HN1 NH2 24 -13.458 -2.432 -2.615
173 HN2 NH2 24 HN2 NH2 24 -14.257 -2.065 -4.101
Start of MODEL 8
1 H1 ALA 1 1HT ALA 1 5.169 6.057 -3.286
2 H2 ALA 1 2HT ALA 1 5.882 6.872 -1.997
3 H3 ALA 1 3HT ALA 1 4.996 7.721 -3.147
4 HA ALA 1 HA ALA 1 3.764 7.516 -1.128
5 HB1 ALA 1 1HB ALA 1 1.706 6.605 -2.049
6 HB2 ALA 1 2HB ALA 1 2.615 5.801 -3.329
7 HB3 ALA 1 3HB ALA 1 2.552 7.564 -3.262
8 H CYS 2 HN CYS 2 4.767 4.342 -2.419
9 HA CYS 2 HA CYS 2 3.957 3.077 0.074
10 HB2 CYS 2 2HB CYS 2 5.193 1.871 -2.429
11 HB3 CYS 2 1HB CYS 2 4.458 0.992 -1.098
12 H LYS 3 HN LYS 3 5.600 2.184 1.470
13 HA LYS 3 HA LYS 3 8.277 3.170 0.809
14 HB2 LYS 3 2HB LYS 3 7.171 2.382 3.519
15 HB3 LYS 3 1HB LYS 3 8.748 3.081 3.196
16 HG2 LYS 3 2HG LYS 3 7.721 5.144 2.433
17 HG3 LYS 3 1HG LYS 3 6.120 4.451 2.667
18 HD2 LYS 3 2HD LYS 3 6.638 5.889 4.530
19 HD3 LYS 3 1HD LYS 3 6.624 4.214 5.079
20 HE2 LYS 3 2HE LYS 3 9.048 4.141 5.027
21 HE3 LYS 3 1HE LYS 3 9.099 5.774 4.362
22 HZ1 LYS 3 1HZ LYS 3 8.105 6.586 6.414
23 HZ2 LYS 3 2HZ LYS 3 9.538 5.781 6.721
24 HZ3 LYS 3 3HZ LYS 3 8.084 5.030 7.059
25 H GLU 4 HN GLU 4 6.693 0.412 2.453
26 HA GLU 4 HA GLU 4 8.580 -1.360 1.179
27 HB2 GLU 4 2HB GLU 4 7.749 -1.296 4.041
28 HB3 GLU 4 1HB GLU 4 8.539 -2.672 3.305
29 HG2 GLU 4 2HG GLU 4 10.489 -1.281 2.758
30 HG3 GLU 4 1HG GLU 4 9.709 0.103 3.508
31 H TYR 5 HN TYR 5 7.500 -2.610 0.022
32 HA TYR 5 HA TYR 5 4.673 -2.772 -0.129
33 HB2 TYR 5 2HB TYR 5 6.242 -3.043 -2.018
34 HB3 TYR 5 1HB TYR 5 6.766 -4.554 -1.342
35 HD1 TYR 5 1HD TYR 5 5.821 -6.535 -2.033
36 HD2 TYR 5 2HD TYR 5 3.621 -2.930 -2.565
37 HE1 TYR 5 1HE TYR 5 4.125 -7.768 -3.276
38 HE2 TYR 5 2HE TYR 5 1.914 -4.151 -3.813
39 HH TYR 5 HH TYR 5 1.896 -7.629 -3.975
40 H TRP 6 HN TRP 6 7.087 -4.925 0.991
41 HA TRP 6 HA TRP 6 5.510 -7.199 1.544
42 HB2 TRP 6 2HB TRP 6 7.356 -8.129 2.734
43 HB3 TRP 6 1HB TRP 6 8.066 -7.088 1.510
44 HD1 TRP 6 1HD TRP 6 8.958 -4.607 2.498
45 HE1 TRP 6 1HE TRP 6 10.026 -4.077 4.792
46 HE3 TRP 6 3HE TRP 6 7.506 -8.783 5.050
47 HZ2 TRP 6 2HZ TRP 6 10.239 -5.301 7.329
48 HZ3 TRP 6 3HZ TRP 6 8.196 -9.035 7.405
49 HH2 TRP 6 2HH TRP 6 9.536 -7.322 8.508
50 H GLU 7 HN GLU 7 5.915 -4.290 3.368
51 HA GLU 7 HA GLU 7 4.830 -5.247 5.834
52 HB2 GLU 7 2HB GLU 7 5.706 -2.639 4.698
53 HB3 GLU 7 1HB GLU 7 4.752 -2.675 6.170
54 HG2 GLU 7 2HG GLU 7 7.284 -4.241 5.840
55 HG3 GLU 7 1HG GLU 7 7.255 -2.581 6.443
56 H CYS 8 HN CYS 8 3.619 -4.125 2.893
57 HA CYS 8 HA CYS 8 1.185 -3.164 4.104
58 HB2 CYS 8 2HB CYS 8 2.317 -2.846 1.348
59 HB3 CYS 8 1HB CYS 8 0.821 -2.132 1.935
60 H GLY 9 HN GLY 9 2.304 -5.508 1.725
61 HA2 GLY 9 2HA GLY 9 0.959 -7.649 1.947
62 HA3 GLY 9 1HA GLY 9 -0.441 -6.607 1.737
63 H ALA 10 HN ALA 10 -1.225 -7.379 -0.150
64 HA ALA 10 HA ALA 10 0.603 -7.381 -2.442
65 HB1 ALA 10 1HB ALA 10 -0.355 -9.572 -1.904
66 HB2 ALA 10 2HB ALA 10 -0.895 -8.978 -3.476
67 HB3 ALA 10 3HB ALA 10 -1.974 -8.894 -2.085
68 H PHE 11 HN PHE 11 0.362 -5.789 -3.781
69 HA PHE 11 HA PHE 11 -0.355 -3.923 -4.786
70 HB2 PHE 11 2HB PHE 11 -2.740 -5.696 -5.335
71 HB3 PHE 11 1HB PHE 11 -2.376 -4.208 -6.199
72 HD1 PHE 11 1HD PHE 11 -0.096 -4.085 -7.389
73 HD2 PHE 11 2HD PHE 11 -1.856 -7.717 -6.065
74 HE1 PHE 11 1HE PHE 11 1.317 -5.334 -8.963
75 HE2 PHE 11 2HE PHE 11 -0.443 -8.979 -7.636
76 HZ PHE 11 HZ PHE 11 1.145 -7.787 -9.087
77 H LEU 12 HN LEU 12 -0.511 -2.337 -3.366
78 HA LEU 12 HA LEU 12 -3.086 -2.000 -2.012
79 HB2 LEU 12 2HB LEU 12 -0.401 -1.042 -1.020
80 HB3 LEU 12 1HB LEU 12 -1.935 -0.908 -0.204
81 HG LEU 12 HG LEU 12 -0.794 -2.571 0.927
82 HD11 LEU 12 1HD1 LEU 12 -2.003 -4.625 0.550
83 HD12 LEU 12 2HD1 LEU 12 -2.625 -3.964 -0.962
84 HD13 LEU 12 3HD1 LEU 12 -3.034 -3.194 0.576
85 HD21 LEU 12 1HD2 LEU 12 -0.070 -3.835 -1.711
86 HD22 LEU 12 2HD2 LEU 12 0.321 -4.487 -0.120
87 HD23 LEU 12 3HD2 LEU 12 1.021 -2.954 -0.642
88 H PHE 13 HN PHE 13 -3.572 0.200 -1.491
89 HA PHE 13 HA PHE 13 -2.560 2.062 -3.493
90 HB2 PHE 13 2HB PHE 13 -5.068 1.672 -3.314
91 HB3 PHE 13 1HB PHE 13 -4.984 2.305 -1.675
92 HD1 PHE 13 1HD PHE 13 -4.844 3.106 -5.223
93 HD2 PHE 13 2HD PHE 13 -4.621 4.675 -1.273
94 HE1 PHE 13 1HE PHE 13 -5.112 5.381 -6.112
95 HE2 PHE 13 2HE PHE 13 -4.894 6.947 -2.159
96 HZ PHE 13 HZ PHE 13 -5.140 7.301 -4.577
97 H CYS 14 HN CYS 14 -1.007 3.346 -2.673
98 HA CYS 14 HA CYS 14 -0.822 3.443 0.239
99 HB2 CYS 14 2HB CYS 14 1.292 4.164 -1.756
100 HB3 CYS 14 1HB CYS 14 1.477 3.961 -0.023
101 H ILE 15 HN ILE 15 -1.017 5.241 1.285
102 HA ILE 15 HA ILE 15 -0.922 7.714 -0.177
103 HB ILE 15 HB ILE 15 -3.249 7.316 -0.034
104 HG12 ILE 15 2HG1 ILE 15 -2.460 9.261 2.152
105 HG13 ILE 15 1HG1 ILE 15 -2.576 9.613 0.437
106 HG21 ILE 15 1HG2 ILE 15 -4.471 6.862 2.058
107 HG22 ILE 15 2HG2 ILE 15 -2.927 6.724 2.904
108 HG23 ILE 15 3HG2 ILE 15 -3.339 5.578 1.630
109 HD11 ILE 15 1HD1 ILE 15 -4.860 8.862 2.243
110 HD12 ILE 15 2HD1 ILE 15 -4.986 9.225 0.522
111 HD13 ILE 15 3HD1 ILE 15 -4.485 10.481 1.657
112 H GLU 16 HN GLU 16 0.707 8.602 0.515
113 HA GLU 16 HA GLU 16 2.207 9.688 1.719
114 HB2 GLU 16 2HB GLU 16 -0.053 10.459 2.735
115 HB3 GLU 16 1HB GLU 16 0.473 9.510 4.122
116 HG2 GLU 16 2HG GLU 16 2.530 10.773 4.187
117 HG3 GLU 16 1HG GLU 16 1.957 11.749 2.842
118 H GLY 17 HN GLY 17 1.982 6.721 1.827
119 HA2 GLY 17 2HA GLY 17 3.847 5.378 2.559
120 HA3 GLY 17 1HA GLY 17 3.906 6.341 4.028
121 H ILE 18 HN ILE 18 0.784 5.996 3.686
122 HA ILE 18 HA ILE 18 0.682 3.561 5.283
123 HB ILE 18 HB ILE 18 -1.462 5.663 4.766
124 HG12 ILE 18 2HG1 ILE 18 0.204 5.137 7.242
125 HG13 ILE 18 1HG1 ILE 18 0.391 6.508 6.158
126 HG21 ILE 18 1HG2 ILE 18 -1.492 3.295 6.650
127 HG22 ILE 18 2HG2 ILE 18 -2.443 3.461 5.177
128 HG23 ILE 18 3HG2 ILE 18 -2.742 4.536 6.543
129 HD11 ILE 18 1HD1 ILE 18 -1.843 7.294 6.793
130 HD12 ILE 18 2HD1 ILE 18 -0.782 7.135 8.192
131 HD13 ILE 18 3HD1 ILE 18 -2.013 5.912 7.874
132 H CYS 19 HN CYS 19 0.170 1.760 4.252
133 HA CYS 19 HA CYS 19 -0.899 1.941 1.560
134 HB2 CYS 19 2HB CYS 19 -0.027 -0.484 3.102
135 HB3 CYS 19 1HB CYS 19 -0.298 -0.347 1.373
136 H VAL 20 HN VAL 20 -3.039 1.823 1.322
137 HA VAL 20 HA VAL 20 -4.525 0.301 3.310
138 HB VAL 20 HB VAL 20 -6.539 1.472 2.537
139 HG11 VAL 20 1HG1 VAL 20 -5.290 2.552 4.298
140 HG12 VAL 20 2HG1 VAL 20 -5.998 3.773 3.239
141 HG13 VAL 20 3HG1 VAL 20 -4.284 3.382 3.113
142 HG21 VAL 20 1HG2 VAL 20 -5.969 1.739 0.187
143 HG22 VAL 20 2HG2 VAL 20 -4.724 2.918 0.606
144 HG23 VAL 20 3HG2 VAL 20 -6.425 3.289 0.892
145 HA PRO 21 HA PRO 21 -5.209 -2.918 0.360
146 HB2 PRO 21 2HB PRO 21 -8.102 -2.867 1.021
147 HB3 PRO 21 1HB PRO 21 -6.940 -4.191 1.165
148 HG2 PRO 21 2HG PRO 21 -7.851 -2.934 3.334
149 HG3 PRO 21 1HG PRO 21 -6.164 -3.472 3.223
150 HD2 PRO 21 2HD PRO 21 -7.306 -0.731 2.865
151 HD3 PRO 21 1HD PRO 21 -5.817 -1.237 3.693
152 H MET 22 HN MET 22 -5.297 -2.578 -1.791
153 HA MET 22 HA MET 22 -6.646 -0.356 -2.770
154 HB2 MET 22 2HB MET 22 -4.641 -0.971 -3.838
155 HB3 MET 22 1HB MET 22 -5.277 -2.583 -4.238
156 HG2 MET 22 2HG MET 22 -5.187 -1.137 -6.202
157 HG3 MET 22 1HG MET 22 -6.852 -1.536 -5.788
158 HE1 MET 22 1HE MET 22 -7.232 2.079 -7.215
159 HE2 MET 22 2HE MET 22 -7.796 0.410 -7.299
160 HE3 MET 22 3HE MET 22 -6.149 0.811 -7.786
161 H ILE 23 HN ILE 23 -8.346 -0.246 -3.890
162 HA ILE 23 HA ILE 23 -10.174 -2.538 -3.802
163 HB ILE 23 HB ILE 23 -10.868 0.417 -3.945
164 HG12 ILE 23 2HG1 ILE 23 -11.032 -1.553 -1.641
165 HG13 ILE 23 1HG1 ILE 23 -9.851 -0.270 -1.801
166 HG21 ILE 23 1HG2 ILE 23 -12.566 -0.968 -5.017
167 HG22 ILE 23 2HG2 ILE 23 -13.175 -0.353 -3.477
168 HG23 ILE 23 3HG2 ILE 23 -12.623 -2.023 -3.605
169 HD11 ILE 23 1HD1 ILE 23 -11.611 1.390 -1.617
170 HD12 ILE 23 2HD1 ILE 23 -11.610 0.305 -0.226
171 HD13 ILE 23 3HD1 ILE 23 -12.819 0.111 -1.497
172 HN1 NH2 24 HN1 NH2 24 -9.895 -3.532 -5.674
173 HN2 NH2 24 HN2 NH2 24 -9.979 -2.800 -7.238
Start of MODEL 9
1 H1 ALA 1 1HT ALA 1 6.683 8.296 -1.475
2 H2 ALA 1 2HT ALA 1 7.454 7.357 -0.288
3 H3 ALA 1 3HT ALA 1 5.811 7.588 -0.225
4 HA ALA 1 HA ALA 1 5.436 6.321 -2.169
5 HB1 ALA 1 1HB ALA 1 8.430 5.941 -2.141
6 HB2 ALA 1 2HB ALA 1 7.515 6.857 -3.340
7 HB3 ALA 1 3HB ALA 1 7.302 5.110 -3.209
8 H CYS 2 HN CYS 2 5.445 3.870 -2.059
9 HA CYS 2 HA CYS 2 5.376 3.016 0.671
10 HB2 CYS 2 2HB CYS 2 5.238 1.345 -1.830
11 HB3 CYS 2 1HB CYS 2 4.629 0.906 -0.251
12 H LYS 3 HN LYS 3 7.004 1.983 1.739
13 HA LYS 3 HA LYS 3 9.458 1.538 0.185
14 HB2 LYS 3 2HB LYS 3 9.084 1.690 3.183
15 HB3 LYS 3 1HB LYS 3 10.617 1.391 2.390
16 HG2 LYS 3 2HG LYS 3 8.955 3.901 2.212
17 HG3 LYS 3 1HG LYS 3 10.469 3.697 3.092
18 HD2 LYS 3 2HD LYS 3 10.122 3.503 0.092
19 HD3 LYS 3 1HD LYS 3 10.796 4.870 0.965
20 HE2 LYS 3 2HE LYS 3 12.664 3.508 1.728
21 HE3 LYS 3 1HE LYS 3 11.961 2.084 0.960
22 HZ1 LYS 3 1HZ LYS 3 12.869 4.522 -0.471
23 HZ2 LYS 3 2HZ LYS 3 12.200 3.161 -1.175
24 HZ3 LYS 3 3HZ LYS 3 13.701 3.048 -0.427
25 H GLU 4 HN GLU 4 7.647 -0.036 2.777
26 HA GLU 4 HA GLU 4 8.730 -2.544 1.816
27 HB2 GLU 4 2HB GLU 4 7.076 -2.073 4.262
28 HB3 GLU 4 1HB GLU 4 8.019 -3.492 3.828
29 HG2 GLU 4 2HG GLU 4 9.160 -0.788 4.537
30 HG3 GLU 4 1HG GLU 4 9.117 -2.186 5.604
31 H TYR 5 HN TYR 5 7.602 -3.004 0.229
32 HA TYR 5 HA TYR 5 4.857 -2.488 -0.311
33 HB2 TYR 5 2HB TYR 5 6.630 -2.929 -2.002
34 HB3 TYR 5 1HB TYR 5 6.686 -4.597 -1.474
35 HD1 TYR 5 1HD TYR 5 4.479 -2.048 -3.011
36 HD2 TYR 5 2HD TYR 5 5.281 -6.193 -2.481
37 HE1 TYR 5 1HE TYR 5 2.856 -2.575 -4.748
38 HE2 TYR 5 2HE TYR 5 3.650 -6.738 -4.218
39 HH TYR 5 HH TYR 5 2.489 -4.404 -6.325
40 H TRP 6 HN TRP 6 6.563 -5.343 0.520
41 HA TRP 6 HA TRP 6 4.565 -7.236 0.842
42 HB2 TRP 6 2HB TRP 6 6.361 -8.339 2.337
43 HB3 TRP 6 1HB TRP 6 6.747 -8.011 0.646
44 HD1 TRP 6 1HD TRP 6 7.659 -6.860 4.186
45 HE1 TRP 6 1HE TRP 6 9.755 -5.342 4.035
46 HE3 TRP 6 3HE TRP 6 8.047 -6.448 -0.891
47 HZ2 TRP 6 2HZ TRP 6 11.327 -4.162 2.056
48 HZ3 TRP 6 3HZ TRP 6 9.875 -5.108 -1.832
49 HH2 TRP 6 2HH TRP 6 11.481 -3.993 -0.380
50 H GLU 7 HN GLU 7 5.537 -4.726 3.005
51 HA GLU 7 HA GLU 7 4.533 -5.845 5.435
52 HB2 GLU 7 2HB GLU 7 6.213 -3.981 5.270
53 HB3 GLU 7 1HB GLU 7 4.915 -2.927 4.735
54 HG2 GLU 7 2HG GLU 7 3.765 -3.397 6.905
55 HG3 GLU 7 1HG GLU 7 5.219 -4.254 7.403
56 H CYS 8 HN CYS 8 3.235 -4.054 2.842
57 HA CYS 8 HA CYS 8 0.708 -3.615 4.187
58 HB2 CYS 8 2HB CYS 8 1.747 -2.662 1.538
59 HB3 CYS 8 1HB CYS 8 0.242 -2.176 2.308
60 H GLY 9 HN GLY 9 2.083 -5.113 1.321
61 HA2 GLY 9 2HA GLY 9 1.099 -7.419 0.985
62 HA3 GLY 9 1HA GLY 9 -0.440 -6.563 0.930
63 H ALA 10 HN ALA 10 -0.344 -7.755 -1.205
64 HA ALA 10 HA ALA 10 1.357 -6.521 -3.185
65 HB1 ALA 10 1HB ALA 10 0.989 -8.949 -3.215
66 HB2 ALA 10 2HB ALA 10 0.468 -8.171 -4.709
67 HB3 ALA 10 3HB ALA 10 -0.728 -8.668 -3.514
68 H PHE 11 HN PHE 11 0.774 -5.074 -4.600
69 HA PHE 11 HA PHE 11 -0.311 -3.530 -5.749
70 HB2 PHE 11 2HB PHE 11 -2.757 -5.260 -5.300
71 HB3 PHE 11 1HB PHE 11 -2.708 -3.880 -6.389
72 HD1 PHE 11 1HD PHE 11 -1.736 -7.358 -5.907
73 HD2 PHE 11 2HD PHE 11 -1.342 -3.952 -8.430
74 HE1 PHE 11 1HE PHE 11 -0.854 -8.791 -7.691
75 HE2 PHE 11 2HE PHE 11 -0.462 -5.377 -10.217
76 HZ PHE 11 HZ PHE 11 -0.213 -7.803 -9.857
77 H LEU 12 HN LEU 12 -0.070 -3.429 -2.854
78 HA LEU 12 HA LEU 12 -2.241 -1.714 -2.067
79 HB2 LEU 12 2HB LEU 12 0.152 -2.812 -0.711
80 HB3 LEU 12 1HB LEU 12 -0.451 -1.281 -0.131
81 HG LEU 12 HG LEU 12 -1.297 -3.099 1.227
82 HD11 LEU 12 1HD1 LEU 12 -3.655 -2.632 1.146
83 HD12 LEU 12 2HD1 LEU 12 -3.490 -1.920 -0.453
84 HD13 LEU 12 3HD1 LEU 12 -2.712 -1.160 0.936
85 HD21 LEU 12 1HD2 LEU 12 -2.587 -4.142 -1.292
86 HD22 LEU 12 2HD2 LEU 12 -2.788 -4.796 0.337
87 HD23 LEU 12 3HD2 LEU 12 -1.218 -4.876 -0.459
88 H PHE 13 HN PHE 13 -2.360 0.265 -2.624
89 HA PHE 13 HA PHE 13 0.057 1.716 -3.307
90 HB2 PHE 13 2HB PHE 13 -2.869 2.346 -3.756
91 HB3 PHE 13 1HB PHE 13 -1.567 3.475 -4.107
92 HD1 PHE 13 1HD PHE 13 -0.074 3.112 -5.966
93 HD2 PHE 13 2HD PHE 13 -3.235 0.389 -5.137
94 HE1 PHE 13 1HE PHE 13 0.197 2.131 -8.194
95 HE2 PHE 13 2HE PHE 13 -2.971 -0.606 -7.367
96 HZ PHE 13 HZ PHE 13 -1.257 0.258 -8.901
97 H CYS 14 HN CYS 14 0.547 3.625 -2.291
98 HA CYS 14 HA CYS 14 -0.593 3.759 0.379
99 HB2 CYS 14 2HB CYS 14 1.952 4.968 -0.695
100 HB3 CYS 14 1HB CYS 14 1.406 5.037 0.970
101 H ILE 15 HN ILE 15 -1.486 5.540 1.127
102 HA ILE 15 HA ILE 15 -1.591 7.875 -0.548
103 HB ILE 15 HB ILE 15 -3.765 6.926 -0.811
104 HG12 ILE 15 2HG1 ILE 15 -3.920 9.042 1.351
105 HG13 ILE 15 1HG1 ILE 15 -3.796 9.325 -0.379
106 HG21 ILE 15 1HG2 ILE 15 -5.224 6.249 1.069
107 HG22 ILE 15 2HG2 ILE 15 -3.850 6.464 2.154
108 HG23 ILE 15 3HG2 ILE 15 -3.782 5.250 0.880
109 HD11 ILE 15 1HD1 ILE 15 -6.007 8.317 -0.688
110 HD12 ILE 15 2HD1 ILE 15 -6.060 9.691 0.416
111 HD13 ILE 15 3HD1 ILE 15 -6.119 8.047 1.050
112 H GLU 16 HN GLU 16 -0.508 9.257 0.428
113 HA GLU 16 HA GLU 16 0.424 10.616 1.887
114 HB2 GLU 16 2HB GLU 16 -1.986 10.671 2.761
115 HB3 GLU 16 1HB GLU 16 -1.427 9.536 3.983
116 HG2 GLU 16 2HG GLU 16 0.261 11.102 4.635
117 HG3 GLU 16 1HG GLU 16 -0.378 12.233 3.439
118 H GLY 17 HN GLY 17 1.010 7.733 1.538
119 HA2 GLY 17 2HA GLY 17 3.061 6.681 2.169
120 HA3 GLY 17 1HA GLY 17 2.935 7.453 3.745
121 H ILE 18 HN ILE 18 0.016 6.629 3.665
122 HA ILE 18 HA ILE 18 0.450 4.104 5.035
123 HB ILE 18 HB ILE 18 -2.053 5.794 4.773
124 HG12 ILE 18 2HG1 ILE 18 -0.084 5.569 7.062
125 HG13 ILE 18 1HG1 ILE 18 -0.206 6.926 5.949
126 HG21 ILE 18 1HG2 ILE 18 -2.582 3.457 5.253
127 HG22 ILE 18 2HG2 ILE 18 -2.900 4.460 6.669
128 HG23 ILE 18 3HG2 ILE 18 -1.450 3.463 6.604
129 HD11 ILE 18 1HD1 ILE 18 -1.261 7.404 8.076
130 HD12 ILE 18 2HD1 ILE 18 -2.336 6.021 7.866
131 HD13 ILE 18 3HD1 ILE 18 -2.444 7.399 6.769
132 H CYS 19 HN CYS 19 -0.002 2.183 4.127
133 HA CYS 19 HA CYS 19 -1.168 2.041 1.487
134 HB2 CYS 19 2HB CYS 19 -0.626 -0.338 3.275
135 HB3 CYS 19 1HB CYS 19 -0.615 -0.216 1.538
136 H VAL 20 HN VAL 20 -3.341 2.244 1.393
137 HA VAL 20 HA VAL 20 -4.887 1.136 3.605
138 HB VAL 20 HB VAL 20 -5.713 3.156 1.481
139 HG11 VAL 20 1HG1 VAL 20 -7.332 2.046 3.782
140 HG12 VAL 20 2HG1 VAL 20 -7.609 1.708 2.075
141 HG13 VAL 20 3HG1 VAL 20 -7.841 3.341 2.698
142 HG21 VAL 20 1HG2 VAL 20 -5.337 3.430 4.463
143 HG22 VAL 20 2HG2 VAL 20 -5.896 4.700 3.374
144 HG23 VAL 20 3HG2 VAL 20 -4.260 4.062 3.218
145 HA PRO 21 HA PRO 21 -5.856 -2.449 1.127
146 HB2 PRO 21 2HB PRO 21 -8.323 -2.297 2.809
147 HB3 PRO 21 1HB PRO 21 -7.281 -3.687 2.481
148 HG2 PRO 21 2HG PRO 21 -7.137 -2.442 4.812
149 HG3 PRO 21 1HG PRO 21 -5.664 -2.998 3.997
150 HD2 PRO 21 2HD PRO 21 -6.760 -0.234 4.246
151 HD3 PRO 21 1HD PRO 21 -5.073 -0.793 4.232
152 H MET 22 HN MET 22 -6.858 -2.552 -0.807
153 HA MET 22 HA MET 22 -9.069 -0.804 -1.150
154 HB2 MET 22 2HB MET 22 -6.832 0.042 -2.093
155 HB3 MET 22 1HB MET 22 -7.036 -1.238 -3.284
156 HG2 MET 22 2HG MET 22 -7.798 0.931 -4.114
157 HG3 MET 22 1HG MET 22 -9.084 -0.277 -4.063
158 HE1 MET 22 1HE MET 22 -7.579 1.682 -0.954
159 HE2 MET 22 2HE MET 22 -8.612 3.114 -0.948
160 HE3 MET 22 3HE MET 22 -7.497 2.836 -2.284
161 H ILE 23 HN ILE 23 -10.448 -1.467 -2.949
162 HA ILE 23 HA ILE 23 -10.206 -4.293 -3.523
163 HB ILE 23 HB ILE 23 -11.935 -4.078 -1.972
164 HG12 ILE 23 2HG1 ILE 23 -13.225 -4.303 -4.697
165 HG13 ILE 23 1HG1 ILE 23 -12.450 -5.608 -3.811
166 HG21 ILE 23 1HG2 ILE 23 -13.198 -1.873 -3.571
167 HG22 ILE 23 2HG2 ILE 23 -12.361 -1.728 -2.030
168 HG23 ILE 23 3HG2 ILE 23 -13.877 -2.622 -2.127
169 HD11 ILE 23 1HD1 ILE 23 -14.873 -5.743 -3.690
170 HD12 ILE 23 2HD1 ILE 23 -14.934 -4.136 -2.962
171 HD13 ILE 23 3HD1 ILE 23 -14.171 -5.469 -2.096
172 HN1 NH2 24 HN1 NH2 24 -12.063 -1.527 -4.815
173 HN2 NH2 24 HN2 NH2 24 -11.734 -1.894 -6.465
Start of MODEL 10
1 H1 ALA 1 1HT ALA 1 5.087 7.676 -1.703
2 H2 ALA 1 2HT ALA 1 4.019 6.746 -2.614
3 H3 ALA 1 3HT ALA 1 5.052 7.818 -3.396
4 HA ALA 1 HA ALA 1 5.791 5.532 -3.604
5 HB1 ALA 1 1HB ALA 1 7.484 7.305 -3.533
6 HB2 ALA 1 2HB ALA 1 8.071 5.815 -2.791
7 HB3 ALA 1 3HB ALA 1 7.552 7.161 -1.777
8 H CYS 2 HN CYS 2 6.314 3.588 -2.659
9 HA CYS 2 HA CYS 2 5.319 3.284 0.065
10 HB2 CYS 2 2HB CYS 2 5.875 1.193 -2.042
11 HB3 CYS 2 1HB CYS 2 5.112 0.909 -0.481
12 H LYS 3 HN LYS 3 6.621 2.540 1.655
13 HA LYS 3 HA LYS 3 9.466 2.722 1.261
14 HB2 LYS 3 2HB LYS 3 8.320 3.592 3.273
15 HB3 LYS 3 1HB LYS 3 7.821 1.963 3.679
16 HG2 LYS 3 2HG LYS 3 10.250 1.365 3.870
17 HG3 LYS 3 1HG LYS 3 10.602 3.081 3.675
18 HD2 LYS 3 2HD LYS 3 9.234 3.603 5.626
19 HD3 LYS 3 1HD LYS 3 8.858 1.894 5.821
20 HE2 LYS 3 2HE LYS 3 11.277 1.444 6.122
21 HE3 LYS 3 1HE LYS 3 11.571 3.180 6.059
22 HZ1 LYS 3 1HZ LYS 3 10.129 3.434 8.013
23 HZ2 LYS 3 2HZ LYS 3 11.442 2.410 8.323
24 HZ3 LYS 3 3HZ LYS 3 9.917 1.755 8.058
25 H GLU 4 HN GLU 4 7.251 0.208 2.523
26 HA GLU 4 HA GLU 4 8.952 -1.834 1.386
27 HB2 GLU 4 2HB GLU 4 7.813 -1.731 4.134
28 HB3 GLU 4 1HB GLU 4 8.478 -3.170 3.395
29 HG2 GLU 4 2HG GLU 4 10.677 -2.087 3.229
30 HG3 GLU 4 1HG GLU 4 10.013 -0.635 3.967
31 H TYR 5 HN TYR 5 7.708 -2.566 -0.012
32 HA TYR 5 HA TYR 5 4.879 -2.490 -0.137
33 HB2 TYR 5 2HB TYR 5 6.476 -2.663 -2.054
34 HB3 TYR 5 1HB TYR 5 6.772 -4.326 -1.597
35 HD1 TYR 5 1HD TYR 5 3.970 -2.046 -2.549
36 HD2 TYR 5 2HD TYR 5 5.590 -5.976 -2.704
37 HE1 TYR 5 1HE TYR 5 2.222 -2.695 -4.120
38 HE2 TYR 5 2HE TYR 5 3.838 -6.644 -4.271
39 HH TYR 5 HH TYR 5 1.848 -4.353 -5.832
40 H TRP 6 HN TRP 6 7.137 -4.998 0.561
41 HA TRP 6 HA TRP 6 5.366 -7.111 1.074
42 HB2 TRP 6 2HB TRP 6 7.311 -8.102 2.398
43 HB3 TRP 6 1HB TRP 6 7.607 -7.700 0.710
44 HD1 TRP 6 1HD TRP 6 8.354 -6.309 4.239
45 HE1 TRP 6 1HE TRP 6 10.478 -4.853 4.091
46 HE3 TRP 6 3HE TRP 6 9.124 -6.533 -0.803
47 HZ2 TRP 6 2HZ TRP 6 12.261 -3.961 2.093
48 HZ3 TRP 6 3HZ TRP 6 11.064 -5.358 -1.750
49 HH2 TRP 6 2HH TRP 6 12.595 -4.104 -0.331
50 H GLU 7 HN GLU 7 6.354 -4.500 3.157
51 HA GLU 7 HA GLU 7 5.525 -5.708 5.601
52 HB2 GLU 7 2HB GLU 7 7.064 -3.771 5.578
53 HB3 GLU 7 1HB GLU 7 5.770 -2.768 4.939
54 HG2 GLU 7 2HG GLU 7 4.470 -3.148 6.981
55 HG3 GLU 7 1HG GLU 7 5.786 -4.124 7.625
56 H CYS 8 HN CYS 8 4.042 -3.590 3.358
57 HA CYS 8 HA CYS 8 1.566 -3.424 4.763
58 HB2 CYS 8 2HB CYS 8 2.323 -2.666 1.955
59 HB3 CYS 8 1HB CYS 8 0.821 -2.242 2.764
60 H GLY 9 HN GLY 9 2.808 -5.175 2.006
61 HA2 GLY 9 2HA GLY 9 1.923 -7.495 1.889
62 HA3 GLY 9 1HA GLY 9 0.333 -6.731 1.939
63 H ALA 10 HN ALA 10 1.005 -8.316 -0.184
64 HA ALA 10 HA ALA 10 1.997 -6.647 -2.287
65 HB1 ALA 10 1HB ALA 10 1.554 -8.573 -3.728
66 HB2 ALA 10 2HB ALA 10 0.733 -9.383 -2.393
67 HB3 ALA 10 3HB ALA 10 2.459 -9.047 -2.291
68 H PHE 11 HN PHE 11 0.844 -5.739 -3.920
69 HA PHE 11 HA PHE 11 -0.785 -4.765 -5.016
70 HB2 PHE 11 2HB PHE 11 -2.542 -6.975 -3.914
71 HB3 PHE 11 1HB PHE 11 -3.012 -5.867 -5.204
72 HD1 PHE 11 1HD PHE 11 -1.104 -8.814 -4.331
73 HD2 PHE 11 2HD PHE 11 -1.818 -5.925 -7.371
74 HE1 PHE 11 1HE PHE 11 0.013 -10.264 -5.960
75 HE2 PHE 11 2HE PHE 11 -0.708 -7.379 -9.012
76 HZ PHE 11 HZ PHE 11 0.215 -9.550 -8.302
77 H LEU 12 HN LEU 12 -0.160 -4.116 -2.269
78 HA LEU 12 HA LEU 12 -2.551 -2.698 -1.435
79 HB2 LEU 12 2HB LEU 12 0.173 -3.130 -0.274
80 HB3 LEU 12 1HB LEU 12 -0.694 -1.682 0.177
81 HG LEU 12 HG LEU 12 -0.905 -3.469 1.856
82 HD11 LEU 12 1HD1 LEU 12 -3.481 -2.816 0.472
83 HD12 LEU 12 2HD1 LEU 12 -2.649 -1.824 1.670
84 HD13 LEU 12 3HD1 LEU 12 -3.311 -3.393 2.129
85 HD21 LEU 12 1HD2 LEU 12 -0.825 -5.423 0.390
86 HD22 LEU 12 2HD2 LEU 12 -2.385 -4.976 -0.295
87 HD23 LEU 12 3HD2 LEU 12 -2.271 -5.447 1.400
88 H PHE 13 HN PHE 13 -2.647 -0.422 -1.426
89 HA PHE 13 HA PHE 13 -0.743 0.862 -3.232
90 HB2 PHE 13 2HB PHE 13 -3.686 1.422 -2.781
91 HB3 PHE 13 1HB PHE 13 -2.621 2.474 -3.705
92 HD1 PHE 13 1HD PHE 13 -1.789 1.808 -5.855
93 HD2 PHE 13 2HD PHE 13 -4.407 -0.727 -3.678
94 HE1 PHE 13 1HE PHE 13 -2.190 0.479 -7.881
95 HE2 PHE 13 2HE PHE 13 -4.811 -2.050 -5.706
96 HZ PHE 13 HZ PHE 13 -3.707 -1.452 -7.801
97 H CYS 14 HN CYS 14 0.038 2.880 -2.586
98 HA CYS 14 HA CYS 14 -0.327 3.298 0.273
99 HB2 CYS 14 2HB CYS 14 1.954 4.193 -1.464
100 HB3 CYS 14 1HB CYS 14 1.843 4.273 0.287
101 H ILE 15 HN ILE 15 -1.034 5.126 0.979
102 HA ILE 15 HA ILE 15 -0.984 7.486 -0.620
103 HB ILE 15 HB ILE 15 -3.121 6.602 -1.250
104 HG12 ILE 15 2HG1 ILE 15 -3.545 8.762 0.830
105 HG13 ILE 15 1HG1 ILE 15 -3.049 9.020 -0.838
106 HG21 ILE 15 1HG2 ILE 15 -3.516 4.984 0.482
107 HG22 ILE 15 2HG2 ILE 15 -4.914 6.057 0.366
108 HG23 ILE 15 3HG2 ILE 15 -3.750 6.262 1.674
109 HD11 ILE 15 1HD1 ILE 15 -5.408 9.516 -0.549
110 HD12 ILE 15 2HD1 ILE 15 -5.687 7.895 0.081
111 HD13 ILE 15 3HD1 ILE 15 -5.199 8.115 -1.598
112 H GLU 16 HN GLU 16 -0.088 8.852 0.590
113 HA GLU 16 HA GLU 16 0.645 10.117 2.290
114 HB2 GLU 16 2HB GLU 16 -1.905 9.143 3.428
115 HB3 GLU 16 1HB GLU 16 -0.856 10.293 4.283
116 HG2 GLU 16 2HG GLU 16 -1.117 11.837 2.357
117 HG3 GLU 16 1HG GLU 16 -2.230 10.682 1.622
118 H GLY 17 HN GLY 17 1.278 7.245 2.141
119 HA2 GLY 17 2HA GLY 17 2.996 6.140 3.345
120 HA3 GLY 17 1HA GLY 17 2.542 7.060 4.775
121 H ILE 18 HN ILE 18 -0.260 6.105 3.548
122 HA ILE 18 HA ILE 18 -0.407 3.820 5.372
123 HB ILE 18 HB ILE 18 -2.653 5.387 4.065
124 HG12 ILE 18 2HG1 ILE 18 -1.603 5.609 6.898
125 HG13 ILE 18 1HG1 ILE 18 -1.326 6.789 5.623
126 HG21 ILE 18 1HG2 ILE 18 -2.684 3.387 6.331
127 HG22 ILE 18 2HG2 ILE 18 -3.285 3.116 4.696
128 HG23 ILE 18 3HG2 ILE 18 -4.082 4.290 5.744
129 HD11 ILE 18 1HD1 ILE 18 -4.001 6.036 6.780
130 HD12 ILE 18 2HD1 ILE 18 -3.725 7.215 5.498
131 HD13 ILE 18 3HD1 ILE 18 -3.097 7.513 7.118
132 H CYS 19 HN CYS 19 -0.423 1.869 4.437
133 HA CYS 19 HA CYS 19 -0.959 1.671 1.608
134 HB2 CYS 19 2HB CYS 19 -0.229 -0.520 3.571
135 HB3 CYS 19 1HB CYS 19 -0.244 -0.611 1.826
136 H VAL 20 HN VAL 20 -3.002 1.592 1.048
137 HA VAL 20 HA VAL 20 -4.736 -0.327 2.270
138 HB VAL 20 HB VAL 20 -5.156 1.676 3.651
139 HG11 VAL 20 1HG1 VAL 20 -6.127 3.719 2.737
140 HG12 VAL 20 2HG1 VAL 20 -5.860 3.094 1.108
141 HG13 VAL 20 3HG1 VAL 20 -4.486 3.421 2.161
142 HG21 VAL 20 1HG2 VAL 20 -7.449 1.080 1.783
143 HG22 VAL 20 2HG2 VAL 20 -7.597 1.901 3.335
144 HG23 VAL 20 3HG2 VAL 20 -7.055 0.225 3.274
145 HA PRO 21 HA PRO 21 -5.575 -0.439 -2.074
146 HB2 PRO 21 2HB PRO 21 -7.173 -2.597 -2.119
147 HB3 PRO 21 1HB PRO 21 -5.444 -2.739 -1.782
148 HG2 PRO 21 2HG PRO 21 -7.759 -2.853 0.071
149 HG3 PRO 21 1HG PRO 21 -6.225 -3.736 0.140
150 HD2 PRO 21 2HD PRO 21 -6.885 -1.446 1.613
151 HD3 PRO 21 1HD PRO 21 -5.255 -2.106 1.385
152 H MET 22 HN MET 22 -7.531 -0.485 -3.526
153 HA MET 22 HA MET 22 -9.445 1.245 -2.361
154 HB2 MET 22 2HB MET 22 -8.289 1.829 -4.519
155 HB3 MET 22 1HB MET 22 -9.139 0.450 -5.226
156 HG2 MET 22 2HG MET 22 -11.261 1.502 -4.892
157 HG3 MET 22 1HG MET 22 -10.505 2.840 -4.031
158 HE1 MET 22 1HE MET 22 -9.216 1.017 -7.298
159 HE2 MET 22 2HE MET 22 -9.937 2.030 -8.550
160 HE3 MET 22 3HE MET 22 -10.968 1.057 -7.500
161 H ILE 23 HN ILE 23 -11.704 0.807 -2.775
162 HA ILE 23 HA ILE 23 -12.206 -2.063 -2.650
163 HB ILE 23 HB ILE 23 -13.995 0.239 -1.750
164 HG12 ILE 23 2HG1 ILE 23 -13.724 -0.864 0.542
165 HG13 ILE 23 1HG1 ILE 23 -12.443 -1.828 -0.167
166 HG21 ILE 23 1HG2 ILE 23 -15.364 -1.568 -2.593
167 HG22 ILE 23 2HG2 ILE 23 -15.519 -1.432 -0.840
168 HG23 ILE 23 3HG2 ILE 23 -14.532 -2.712 -1.541
169 HD11 ILE 23 1HD1 ILE 23 -11.535 0.024 1.089
170 HD12 ILE 23 2HD1 ILE 23 -12.475 1.169 0.136
171 HD13 ILE 23 3HD1 ILE 23 -11.185 0.238 -0.625
172 HN1 NH2 24 HN1 NH2 24 -14.344 0.540 -3.714
173 HN2 NH2 24 HN2 NH2 24 -14.650 -0.126 -5.276
Start of MODEL 11
1 H1 ALA 1 1HT ALA 1 4.818 5.815 -3.238
2 H2 ALA 1 2HT ALA 1 3.903 5.583 -4.626
3 H3 ALA 1 3HT ALA 1 4.653 4.274 -3.875
4 HA ALA 1 HA ALA 1 2.529 5.950 -2.701
5 HB1 ALA 1 1HB ALA 1 2.368 3.110 -3.737
6 HB2 ALA 1 2HB ALA 1 1.700 4.533 -4.536
7 HB3 ALA 1 3HB ALA 1 1.063 4.018 -2.977
8 H CYS 2 HN CYS 2 4.006 2.702 -2.380
9 HA CYS 2 HA CYS 2 3.710 2.766 0.507
10 HB2 CYS 2 2HB CYS 2 5.043 0.687 -1.247
11 HB3 CYS 2 1HB CYS 2 4.394 0.465 0.371
12 H LYS 3 HN LYS 3 5.682 2.484 1.926
13 HA LYS 3 HA LYS 3 7.949 3.844 0.778
14 HB2 LYS 3 2HB LYS 3 7.629 2.536 3.494
15 HB3 LYS 3 1HB LYS 3 8.949 3.595 3.042
16 HG2 LYS 3 2HG LYS 3 7.241 5.409 2.697
17 HG3 LYS 3 1HG LYS 3 6.052 4.318 3.404
18 HD2 LYS 3 2HD LYS 3 8.550 5.372 4.742
19 HD3 LYS 3 1HD LYS 3 6.898 5.872 5.079
20 HE2 LYS 3 2HE LYS 3 8.068 3.125 5.557
21 HE3 LYS 3 1HE LYS 3 7.745 4.338 6.783
22 HZ1 LYS 3 1HZ LYS 3 5.765 2.864 5.136
23 HZ2 LYS 3 2HZ LYS 3 5.350 4.163 6.148
24 HZ3 LYS 3 3HZ LYS 3 6.008 2.759 6.797
25 H GLU 4 HN GLU 4 7.374 0.721 2.343
26 HA GLU 4 HA GLU 4 9.147 -0.503 0.381
27 HB2 GLU 4 2HB GLU 4 8.430 -1.352 3.198
28 HB3 GLU 4 1HB GLU 4 9.319 -2.360 2.068
29 HG2 GLU 4 2HG GLU 4 10.200 0.306 3.154
30 HG3 GLU 4 1HG GLU 4 10.775 -1.267 3.703
31 H TYR 5 HN TYR 5 8.314 -2.610 -0.390
32 HA TYR 5 HA TYR 5 5.533 -2.405 -1.013
33 HB2 TYR 5 2HB TYR 5 7.225 -3.372 -2.572
34 HB3 TYR 5 1HB TYR 5 7.363 -4.763 -1.510
35 HD1 TYR 5 1HD TYR 5 5.827 -6.584 -1.686
36 HD2 TYR 5 2HD TYR 5 4.992 -2.914 -3.678
37 HE1 TYR 5 1HE TYR 5 3.965 -7.644 -2.845
38 HE2 TYR 5 2HE TYR 5 3.131 -3.965 -4.848
39 HH TYR 5 HH TYR 5 2.374 -6.170 -5.493
40 H TRP 6 HN TRP 6 7.277 -4.885 0.653
41 HA TRP 6 HA TRP 6 5.105 -6.425 1.594
42 HB2 TRP 6 2HB TRP 6 6.803 -7.339 3.252
43 HB3 TRP 6 1HB TRP 6 7.212 -7.456 1.541
44 HD1 TRP 6 1HD TRP 6 8.112 -5.304 4.640
45 HE1 TRP 6 1HE TRP 6 10.479 -4.325 4.242
46 HE3 TRP 6 3HE TRP 6 8.912 -6.986 -0.112
47 HZ2 TRP 6 2HZ TRP 6 12.392 -4.297 2.202
48 HZ3 TRP 6 3HZ TRP 6 11.034 -6.441 -1.210
49 HH2 TRP 6 2HH TRP 6 12.738 -5.122 -0.073
50 H GLU 7 HN GLU 7 6.252 -3.493 2.653
51 HA GLU 7 HA GLU 7 5.720 -3.336 5.377
52 HB2 GLU 7 2HB GLU 7 6.876 -1.678 4.182
53 HB3 GLU 7 1HB GLU 7 5.512 -1.369 3.123
54 HG2 GLU 7 2HG GLU 7 4.332 -0.396 5.019
55 HG3 GLU 7 1HG GLU 7 5.737 -0.731 6.043
56 H CYS 8 HN CYS 8 3.679 -2.894 2.657
57 HA CYS 8 HA CYS 8 1.364 -2.933 4.395
58 HB2 CYS 8 2HB CYS 8 1.816 -1.908 1.628
59 HB3 CYS 8 1HB CYS 8 0.209 -2.115 2.319
60 H GLY 9 HN GLY 9 2.970 -4.536 1.773
61 HA2 GLY 9 2HA GLY 9 2.714 -6.935 1.756
62 HA3 GLY 9 1HA GLY 9 0.993 -6.676 2.044
63 H ALA 10 HN ALA 10 0.856 -8.017 0.133
64 HA ALA 10 HA ALA 10 1.586 -6.783 -2.362
65 HB1 ALA 10 1HB ALA 10 0.122 -9.343 -1.778
66 HB2 ALA 10 2HB ALA 10 1.853 -9.186 -2.089
67 HB3 ALA 10 3HB ALA 10 0.685 -8.820 -3.362
68 H PHE 11 HN PHE 11 0.336 -5.664 -3.585
69 HA PHE 11 HA PHE 11 -1.383 -4.742 -4.647
70 HB2 PHE 11 2HB PHE 11 -3.029 -6.955 -3.429
71 HB3 PHE 11 1HB PHE 11 -3.631 -5.816 -4.626
72 HD1 PHE 11 1HD PHE 11 -2.026 -8.919 -4.091
73 HD2 PHE 11 2HD PHE 11 -2.353 -5.712 -6.863
74 HE1 PHE 11 1HE PHE 11 -1.181 -10.388 -5.887
75 HE2 PHE 11 2HE PHE 11 -1.517 -7.170 -8.657
76 HZ PHE 11 HZ PHE 11 -0.929 -9.512 -8.163
77 H LEU 12 HN LEU 12 -0.819 -4.089 -1.711
78 HA LEU 12 HA LEU 12 -3.328 -2.732 -1.099
79 HB2 LEU 12 2HB LEU 12 -0.729 -2.928 0.396
80 HB3 LEU 12 1HB LEU 12 -1.820 -1.610 0.742
81 HG LEU 12 HG LEU 12 -2.153 -3.260 2.404
82 HD11 LEU 12 1HD1 LEU 12 -4.423 -3.464 0.447
83 HD12 LEU 12 2HD1 LEU 12 -4.160 -2.182 1.625
84 HD13 LEU 12 3HD1 LEU 12 -4.485 -3.822 2.171
85 HD21 LEU 12 1HD2 LEU 12 -2.771 -5.586 1.899
86 HD22 LEU 12 2HD2 LEU 12 -1.175 -5.185 1.270
87 HD23 LEU 12 3HD2 LEU 12 -2.559 -5.261 0.178
88 H PHE 13 HN PHE 13 -3.650 -0.568 -1.215
89 HA PHE 13 HA PHE 13 -1.728 0.822 -2.892
90 HB2 PHE 13 2HB PHE 13 -4.138 0.811 -3.588
91 HB3 PHE 13 1HB PHE 13 -4.546 1.615 -2.078
92 HD1 PHE 13 1HD PHE 13 -2.196 2.050 -4.943
93 HD2 PHE 13 2HD PHE 13 -4.853 3.893 -2.180
94 HE1 PHE 13 1HE PHE 13 -1.821 4.209 -6.035
95 HE2 PHE 13 2HE PHE 13 -4.481 6.067 -3.273
96 HZ PHE 13 HZ PHE 13 -2.966 6.229 -5.203
97 H CYS 14 HN CYS 14 -0.327 2.000 -1.838
98 HA CYS 14 HA CYS 14 -0.949 2.611 0.941
99 HB2 CYS 14 2HB CYS 14 1.689 2.901 -0.419
100 HB3 CYS 14 1HB CYS 14 1.359 2.741 1.300
101 H ILE 15 HN ILE 15 -1.319 4.585 1.507
102 HA ILE 15 HA ILE 15 -0.728 6.718 -0.390
103 HB ILE 15 HB ILE 15 -2.860 6.743 1.753
104 HG12 ILE 15 2HG1 ILE 15 -3.225 6.305 -1.222
105 HG13 ILE 15 1HG1 ILE 15 -3.399 5.063 0.011
106 HG21 ILE 15 1HG2 ILE 15 -3.680 8.725 0.477
107 HG22 ILE 15 2HG2 ILE 15 -2.284 8.581 -0.590
108 HG23 ILE 15 3HG2 ILE 15 -2.054 8.952 1.119
109 HD11 ILE 15 1HD1 ILE 15 -5.296 6.281 0.961
110 HD12 ILE 15 2HD1 ILE 15 -5.558 5.892 -0.740
111 HD13 ILE 15 3HD1 ILE 15 -5.096 7.527 -0.266
112 H GLU 16 HN GLU 16 1.016 7.462 0.292
113 HA GLU 16 HA GLU 16 2.609 8.520 1.431
114 HB2 GLU 16 2HB GLU 16 0.382 8.942 3.324
115 HB3 GLU 16 1HB GLU 16 1.947 9.795 3.419
116 HG2 GLU 16 2HG GLU 16 1.462 10.692 1.142
117 HG3 GLU 16 1HG GLU 16 -0.129 9.949 1.230
118 H GLY 17 HN GLY 17 2.024 5.715 1.885
119 HA2 GLY 17 2HA GLY 17 3.577 4.222 2.959
120 HA3 GLY 17 1HA GLY 17 3.730 5.391 4.263
121 H ILE 18 HN ILE 18 0.608 5.454 3.816
122 HA ILE 18 HA ILE 18 0.085 3.477 5.876
123 HB ILE 18 HB ILE 18 -1.635 5.663 4.668
124 HG12 ILE 18 2HG1 ILE 18 -0.301 5.468 7.379
125 HG13 ILE 18 1HG1 ILE 18 0.278 6.437 6.032
126 HG21 ILE 18 1HG2 ILE 18 -3.203 5.221 6.511
127 HG22 ILE 18 2HG2 ILE 18 -2.227 3.831 6.992
128 HG23 ILE 18 3HG2 ILE 18 -3.046 3.835 5.430
129 HD11 ILE 18 1HD1 ILE 18 -0.889 7.770 7.707
130 HD12 ILE 18 2HD1 ILE 18 -2.352 6.808 7.442
131 HD13 ILE 18 3HD1 ILE 18 -1.707 7.813 6.150
132 H CYS 19 HN CYS 19 -1.131 1.646 5.524
133 HA CYS 19 HA CYS 19 -1.421 0.874 2.754
134 HB2 CYS 19 2HB CYS 19 -2.162 -0.925 5.060
135 HB3 CYS 19 1HB CYS 19 -1.474 -1.280 3.508
136 H VAL 20 HN VAL 20 -3.250 1.295 1.725
137 HA VAL 20 HA VAL 20 -5.780 1.197 3.195
138 HB VAL 20 HB VAL 20 -5.003 2.993 0.849
139 HG11 VAL 20 1HG1 VAL 20 -7.519 3.034 2.505
140 HG12 VAL 20 2HG1 VAL 20 -7.383 2.434 0.855
141 HG13 VAL 20 3HG1 VAL 20 -7.113 4.145 1.196
142 HG21 VAL 20 1HG2 VAL 20 -3.866 3.718 2.863
143 HG22 VAL 20 2HG2 VAL 20 -5.387 3.711 3.752
144 HG23 VAL 20 3HG2 VAL 20 -5.139 4.867 2.448
145 HA PRO 21 HA PRO 21 -6.863 -1.994 0.166
146 HB2 PRO 21 2HB PRO 21 -9.534 -1.241 -0.202
147 HB3 PRO 21 1HB PRO 21 -8.952 -2.360 1.032
148 HG2 PRO 21 2HG PRO 21 -9.570 0.555 1.255
149 HG3 PRO 21 1HG PRO 21 -9.879 -0.748 2.417
150 HD2 PRO 21 2HD PRO 21 -7.861 0.945 2.782
151 HD3 PRO 21 1HD PRO 21 -7.662 -0.781 3.148
152 H MET 22 HN MET 22 -6.656 -2.025 -2.005
153 HA MET 22 HA MET 22 -6.474 0.432 -3.335
154 HB2 MET 22 2HB MET 22 -4.852 -1.295 -3.771
155 HB3 MET 22 1HB MET 22 -6.145 -2.356 -4.362
156 HG2 MET 22 2HG MET 22 -6.493 -0.931 -6.264
157 HG3 MET 22 1HG MET 22 -5.325 0.232 -5.647
158 HE1 MET 22 1HE MET 22 -1.934 -1.628 -6.015
159 HE2 MET 22 2HE MET 22 -2.950 -1.615 -4.584
160 HE3 MET 22 3HE MET 22 -2.757 -0.144 -5.539
161 H ILE 23 HN ILE 23 -7.629 1.014 -5.102
162 HA ILE 23 HA ILE 23 -10.318 -0.180 -5.285
163 HB ILE 23 HB ILE 23 -9.579 2.734 -5.745
164 HG12 ILE 23 2HG1 ILE 23 -9.382 2.159 -3.372
165 HG13 ILE 23 1HG1 ILE 23 -10.759 3.218 -3.640
166 HG21 ILE 23 1HG2 ILE 23 -12.290 1.410 -5.625
167 HG22 ILE 23 2HG2 ILE 23 -11.505 2.038 -7.074
168 HG23 ILE 23 3HG2 ILE 23 -12.002 3.142 -5.791
169 HD11 ILE 23 1HD1 ILE 23 -10.859 0.234 -3.193
170 HD12 ILE 23 2HD1 ILE 23 -12.254 1.273 -3.483
171 HD13 ILE 23 3HD1 ILE 23 -11.286 1.485 -2.025
172 HN1 NH2 24 HN1 NH2 24 -9.755 -1.514 -6.946
173 HN2 NH2 24 HN2 NH2 24 -9.351 -0.955 -8.533
Start of MODEL 12
1 H1 ALA 1 1HT ALA 1 4.314 7.310 -2.585
2 H2 ALA 1 2HT ALA 1 3.769 6.026 -3.516
3 H3 ALA 1 3HT ALA 1 4.693 7.247 -4.236
4 HA ALA 1 HA ALA 1 5.973 5.254 -3.875
5 HB1 ALA 1 1HB ALA 1 7.811 6.235 -2.593
6 HB2 ALA 1 2HB ALA 1 6.730 7.503 -2.012
7 HB3 ALA 1 3HB ALA 1 7.127 7.396 -3.727
8 H CYS 2 HN CYS 2 5.542 3.382 -2.882
9 HA CYS 2 HA CYS 2 4.839 3.365 -0.056
10 HB2 CYS 2 2HB CYS 2 4.984 1.127 -2.102
11 HB3 CYS 2 1HB CYS 2 4.376 0.971 -0.457
12 H LYS 3 HN LYS 3 6.198 2.298 1.475
13 HA LYS 3 HA LYS 3 8.934 2.499 0.685
14 HB2 LYS 3 2HB LYS 3 8.288 3.375 2.859
15 HB3 LYS 3 1HB LYS 3 7.727 1.793 3.358
16 HG2 LYS 3 2HG LYS 3 9.922 2.465 4.329
17 HG3 LYS 3 1HG LYS 3 9.959 0.938 3.462
18 HD2 LYS 3 2HD LYS 3 11.939 2.274 2.947
19 HD3 LYS 3 1HD LYS 3 10.940 2.080 1.513
20 HE2 LYS 3 2HE LYS 3 9.998 4.318 1.897
21 HE3 LYS 3 1HE LYS 3 11.060 4.520 3.293
22 HZ1 LYS 3 1HZ LYS 3 12.958 4.276 1.753
23 HZ2 LYS 3 2HZ LYS 3 11.955 5.594 1.368
24 HZ3 LYS 3 3HZ LYS 3 11.866 4.203 0.457
25 H GLU 4 HN GLU 4 7.019 -0.276 2.048
26 HA GLU 4 HA GLU 4 8.782 -1.928 0.521
27 HB2 GLU 4 2HB GLU 4 8.325 -2.132 3.466
28 HB3 GLU 4 1HB GLU 4 8.822 -3.509 2.495
29 HG2 GLU 4 2HG GLU 4 10.799 -2.193 1.747
30 HG3 GLU 4 1HG GLU 4 10.305 -0.903 2.826
31 H TYR 5 HN TYR 5 7.965 -3.716 -0.221
32 HA TYR 5 HA TYR 5 5.306 -3.902 -0.947
33 HB2 TYR 5 2HB TYR 5 7.292 -4.972 -2.037
34 HB3 TYR 5 1HB TYR 5 7.295 -6.161 -0.751
35 HD1 TYR 5 1HD TYR 5 5.502 -7.910 -0.677
36 HD2 TYR 5 2HD TYR 5 5.724 -5.054 -3.821
37 HE1 TYR 5 1HE TYR 5 4.042 -9.313 -2.046
38 HE2 TYR 5 2HE TYR 5 4.268 -6.440 -5.196
39 HH TYR 5 HH TYR 5 3.671 -8.775 -5.375
40 H TRP 6 HN TRP 6 7.019 -5.777 1.413
41 HA TRP 6 HA TRP 6 4.849 -7.387 2.233
42 HB2 TRP 6 2HB TRP 6 6.236 -8.070 4.151
43 HB3 TRP 6 1HB TRP 6 7.123 -8.125 2.633
44 HD1 TRP 6 1HD TRP 6 9.150 -6.420 2.343
45 HE1 TRP 6 1HE TRP 6 10.488 -4.995 4.039
46 HE3 TRP 6 3HE TRP 6 6.010 -6.729 6.368
47 HZ2 TRP 6 2HZ TRP 6 10.258 -4.150 6.696
48 HZ3 TRP 6 3HZ TRP 6 6.646 -5.583 8.448
49 HH2 TRP 6 2HH TRP 6 8.730 -4.325 8.607
50 H GLU 7 HN GLU 7 5.711 -4.194 3.146
51 HA GLU 7 HA GLU 7 4.394 -4.188 5.680
52 HB2 GLU 7 2HB GLU 7 6.201 -2.597 5.160
53 HB3 GLU 7 1HB GLU 7 5.229 -1.896 3.881
54 HG2 GLU 7 2HG GLU 7 5.252 -0.484 5.854
55 HG3 GLU 7 1HG GLU 7 3.630 -1.085 5.522
56 H CYS 8 HN CYS 8 3.457 -3.734 2.437
57 HA CYS 8 HA CYS 8 0.789 -2.864 3.206
58 HB2 CYS 8 2HB CYS 8 2.064 -3.153 0.490
59 HB3 CYS 8 1HB CYS 8 0.523 -2.407 0.883
60 H GLY 9 HN GLY 9 2.388 -5.643 3.074
61 HA2 GLY 9 2HA GLY 9 1.677 -7.846 2.927
62 HA3 GLY 9 1HA GLY 9 0.123 -7.275 2.315
63 H ALA 10 HN ALA 10 -0.005 -6.612 0.198
64 HA ALA 10 HA ALA 10 1.991 -7.732 -1.640
65 HB1 ALA 10 1HB ALA 10 0.114 -7.859 -3.269
66 HB2 ALA 10 2HB ALA 10 -0.988 -7.290 -2.014
67 HB3 ALA 10 3HB ALA 10 -0.189 -8.852 -1.842
68 H PHE 11 HN PHE 11 1.791 -6.331 -3.823
69 HA PHE 11 HA PHE 11 2.353 -3.660 -3.108
70 HB2 PHE 11 2HB PHE 11 3.212 -4.632 -5.226
71 HB3 PHE 11 1HB PHE 11 1.569 -4.690 -5.859
72 HD1 PHE 11 1HD PHE 11 4.296 -2.442 -4.793
73 HD2 PHE 11 2HD PHE 11 0.536 -2.742 -6.773
74 HE1 PHE 11 1HE PHE 11 4.546 -0.146 -5.610
75 HE2 PHE 11 2HE PHE 11 0.790 -0.432 -7.594
76 HZ PHE 11 HZ PHE 11 2.791 0.862 -7.013
77 H LEU 12 HN LEU 12 1.041 -2.127 -2.576
78 HA LEU 12 HA LEU 12 -1.744 -2.224 -3.379
79 HB2 LEU 12 2HB LEU 12 -1.466 -3.403 -1.202
80 HB3 LEU 12 1HB LEU 12 -0.664 -1.986 -0.573
81 HG LEU 12 HG LEU 12 -2.694 -0.745 -0.535
82 HD11 LEU 12 1HD1 LEU 12 -4.827 -1.718 -1.292
83 HD12 LEU 12 2HD1 LEU 12 -4.003 -3.196 -1.779
84 HD13 LEU 12 3HD1 LEU 12 -3.691 -1.688 -2.638
85 HD21 LEU 12 1HD2 LEU 12 -2.270 -2.225 1.337
86 HD22 LEU 12 2HD2 LEU 12 -3.122 -3.534 0.517
87 HD23 LEU 12 3HD2 LEU 12 -4.001 -2.094 1.026
88 H PHE 13 HN PHE 13 -2.722 -0.056 -2.860
89 HA PHE 13 HA PHE 13 -0.846 1.966 -3.677
90 HB2 PHE 13 2HB PHE 13 -3.817 2.114 -3.178
91 HB3 PHE 13 1HB PHE 13 -2.838 3.399 -3.872
92 HD1 PHE 13 1HD PHE 13 -1.627 2.911 -6.056
93 HD2 PHE 13 2HD PHE 13 -4.763 0.472 -4.536
94 HE1 PHE 13 1HE PHE 13 -2.007 2.006 -8.302
95 HE2 PHE 13 2HE PHE 13 -5.142 -0.440 -6.775
96 HZ PHE 13 HZ PHE 13 -3.759 0.339 -8.670
97 H CYS 14 HN CYS 14 -0.187 3.660 -2.485
98 HA CYS 14 HA CYS 14 -0.906 3.551 0.349
99 HB2 CYS 14 2HB CYS 14 1.686 4.475 -0.884
100 HB3 CYS 14 1HB CYS 14 1.324 4.343 0.833
101 H ILE 15 HN ILE 15 -1.396 5.375 1.375
102 HA ILE 15 HA ILE 15 -1.217 7.909 -0.045
103 HB ILE 15 HB ILE 15 -3.526 7.013 1.694
104 HG12 ILE 15 2HG1 ILE 15 -3.498 7.506 -1.296
105 HG13 ILE 15 1HG1 ILE 15 -3.618 5.928 -0.527
106 HG21 ILE 15 1HG2 ILE 15 -3.082 9.379 1.920
107 HG22 ILE 15 2HG2 ILE 15 -4.570 9.161 0.995
108 HG23 ILE 15 3HG2 ILE 15 -3.069 9.576 0.168
109 HD11 ILE 15 1HD1 ILE 15 -5.637 8.156 -0.374
110 HD12 ILE 15 2HD1 ILE 15 -5.773 6.603 0.446
111 HD13 ILE 15 3HD1 ILE 15 -5.782 6.671 -1.318
112 H GLU 16 HN GLU 16 0.226 8.866 1.089
113 HA GLU 16 HA GLU 16 1.376 9.887 2.734
114 HB2 GLU 16 2HB GLU 16 -1.146 9.292 4.170
115 HB3 GLU 16 1HB GLU 16 0.140 10.329 4.829
116 HG2 GLU 16 2HG GLU 16 -1.470 10.822 2.320
117 HG3 GLU 16 1HG GLU 16 -1.711 11.636 3.865
118 H GLY 17 HN GLY 17 1.452 6.983 2.381
119 HA2 GLY 17 2HA GLY 17 3.143 5.599 3.345
120 HA3 GLY 17 1HA GLY 17 2.801 6.325 4.909
121 H ILE 18 HN ILE 18 -0.153 5.970 3.980
122 HA ILE 18 HA ILE 18 -0.447 3.402 5.301
123 HB ILE 18 HB ILE 18 -2.521 5.418 4.383
124 HG12 ILE 18 2HG1 ILE 18 -1.448 4.859 7.152
125 HG13 ILE 18 1HG1 ILE 18 -1.019 6.256 6.168
126 HG21 ILE 18 1HG2 ILE 18 -3.465 3.173 4.507
127 HG22 ILE 18 2HG2 ILE 18 -4.087 4.171 5.824
128 HG23 ILE 18 3HG2 ILE 18 -2.826 2.983 6.139
129 HD11 ILE 18 1HD1 ILE 18 -3.744 5.595 7.260
130 HD12 ILE 18 2HD1 ILE 18 -3.357 6.995 6.261
131 HD13 ILE 18 3HD1 ILE 18 -2.646 6.833 7.868
132 H CYS 19 HN CYS 19 -0.484 1.600 4.050
133 HA CYS 19 HA CYS 19 -1.196 1.812 1.253
134 HB2 CYS 19 2HB CYS 19 -1.029 -0.861 2.579
135 HB3 CYS 19 1HB CYS 19 -0.435 -0.333 1.038
136 H VAL 20 HN VAL 20 -3.259 2.011 0.794
137 HA VAL 20 HA VAL 20 -5.207 1.018 2.712
138 HB VAL 20 HB VAL 20 -5.311 3.419 2.342
139 HG11 VAL 20 1HG1 VAL 20 -5.780 2.810 -0.561
140 HG12 VAL 20 2HG1 VAL 20 -4.371 3.606 0.139
141 HG13 VAL 20 3HG1 VAL 20 -5.949 4.398 0.185
142 HG21 VAL 20 1HG2 VAL 20 -7.414 2.338 2.817
143 HG22 VAL 20 2HG2 VAL 20 -7.661 1.995 1.106
144 HG23 VAL 20 3HG2 VAL 20 -7.682 3.662 1.681
145 HA PRO 21 HA PRO 21 -6.324 -2.348 -0.037
146 HB2 PRO 21 2HB PRO 21 -8.887 -1.949 1.438
147 HB3 PRO 21 1HB PRO 21 -7.987 -3.441 1.135
148 HG2 PRO 21 2HG PRO 21 -7.918 -2.306 3.526
149 HG3 PRO 21 1HG PRO 21 -6.450 -3.006 2.820
150 HD2 PRO 21 2HD PRO 21 -7.247 -0.148 3.084
151 HD3 PRO 21 1HD PRO 21 -5.640 -0.900 3.212
152 H MET 22 HN MET 22 -7.224 -2.315 -2.028
153 HA MET 22 HA MET 22 -8.409 0.017 -2.970
154 HB2 MET 22 2HB MET 22 -7.014 -1.525 -4.346
155 HB3 MET 22 1HB MET 22 -8.372 -2.661 -4.269
156 HG2 MET 22 2HG MET 22 -9.768 -1.137 -5.506
157 HG3 MET 22 1HG MET 22 -8.477 0.061 -5.535
158 HE1 MET 22 1HE MET 22 -9.647 -3.481 -6.791
159 HE2 MET 22 2HE MET 22 -8.110 -3.856 -6.004
160 HE3 MET 22 3HE MET 22 -8.259 -3.989 -7.754
161 H ILE 23 HN ILE 23 -10.450 0.296 -3.681
162 HA ILE 23 HA ILE 23 -12.453 -1.247 -2.189
163 HB ILE 23 HB ILE 23 -12.778 1.486 -3.469
164 HG12 ILE 23 2HG1 ILE 23 -11.143 1.616 -1.650
165 HG13 ILE 23 1HG1 ILE 23 -12.634 2.426 -1.194
166 HG21 ILE 23 1HG2 ILE 23 -14.547 0.021 -1.522
167 HG22 ILE 23 2HG2 ILE 23 -14.879 0.312 -3.231
168 HG23 ILE 23 3HG2 ILE 23 -14.790 1.668 -2.105
169 HD11 ILE 23 1HD1 ILE 23 -11.715 1.169 0.664
170 HD12 ILE 23 2HD1 ILE 23 -11.734 -0.309 -0.295
171 HD13 ILE 23 3HD1 ILE 23 -13.253 0.469 0.155
172 HN1 NH2 24 HN1 NH2 24 -12.986 -2.877 -3.498
173 HN2 NH2 24 HN2 NH2 24 -13.538 -2.727 -5.128
Start of MODEL 13
1 H1 ALA 1 1HT ALA 1 6.229 5.058 -4.758
2 H2 ALA 1 2HT ALA 1 5.883 3.775 -3.708
3 H3 ALA 1 3HT ALA 1 7.459 4.268 -3.933
4 HA ALA 1 HA ALA 1 7.120 6.334 -2.912
5 HB1 ALA 1 1HB ALA 1 5.025 6.996 -1.920
6 HB2 ALA 1 2HB ALA 1 4.268 5.488 -2.395
7 HB3 ALA 1 3HB ALA 1 4.758 6.652 -3.628
8 H CYS 2 HN CYS 2 5.162 3.643 -1.553
9 HA CYS 2 HA CYS 2 6.432 3.912 0.963
10 HB2 CYS 2 2HB CYS 2 4.848 1.617 -0.174
11 HB3 CYS 2 1HB CYS 2 5.275 1.814 1.517
12 H LYS 3 HN LYS 3 8.141 2.922 1.759
13 HA LYS 3 HA LYS 3 10.030 1.820 -0.112
14 HB2 LYS 3 2HB LYS 3 10.245 2.087 2.894
15 HB3 LYS 3 1HB LYS 3 11.569 1.803 1.775
16 HG2 LYS 3 2HG LYS 3 11.247 3.991 0.788
17 HG3 LYS 3 1HG LYS 3 9.853 4.275 1.830
18 HD2 LYS 3 2HD LYS 3 11.348 4.046 3.802
19 HD3 LYS 3 1HD LYS 3 12.715 3.902 2.696
20 HE2 LYS 3 2HE LYS 3 12.243 6.116 1.799
21 HE3 LYS 3 1HE LYS 3 10.835 6.250 2.846
22 HZ1 LYS 3 1HZ LYS 3 12.737 7.422 3.752
23 HZ2 LYS 3 2HZ LYS 3 13.644 6.000 3.762
24 HZ3 LYS 3 3HZ LYS 3 12.290 6.142 4.759
25 H GLU 4 HN GLU 4 8.497 0.703 2.870
26 HA GLU 4 HA GLU 4 9.320 -1.995 2.329
27 HB2 GLU 4 2HB GLU 4 7.409 -1.019 4.409
28 HB3 GLU 4 1HB GLU 4 8.217 -2.581 4.323
29 HG2 GLU 4 2HG GLU 4 9.572 0.072 4.800
30 HG3 GLU 4 1HG GLU 4 9.256 -1.156 6.024
31 H TYR 5 HN TYR 5 8.391 -2.598 0.664
32 HA TYR 5 HA TYR 5 5.677 -2.099 -0.146
33 HB2 TYR 5 2HB TYR 5 7.544 -2.394 -1.722
34 HB3 TYR 5 1HB TYR 5 7.712 -4.049 -1.197
35 HD1 TYR 5 1HD TYR 5 6.811 -5.665 -2.489
36 HD2 TYR 5 2HD TYR 5 5.026 -1.822 -2.555
37 HE1 TYR 5 1HE TYR 5 5.260 -6.439 -4.191
38 HE2 TYR 5 2HE TYR 5 3.445 -2.580 -4.275
39 HH TYR 5 HH TYR 5 3.053 -5.871 -5.064
40 H TRP 6 HN TRP 6 7.443 -4.805 0.968
41 HA TRP 6 HA TRP 6 5.441 -6.759 1.115
42 HB2 TRP 6 2HB TRP 6 7.049 -7.661 3.016
43 HB3 TRP 6 1HB TRP 6 7.522 -7.661 1.319
44 HD1 TRP 6 1HD TRP 6 8.102 -5.529 4.512
45 HE1 TRP 6 1HE TRP 6 10.377 -4.311 4.220
46 HE3 TRP 6 3HE TRP 6 9.235 -6.996 -0.255
47 HZ2 TRP 6 2HZ TRP 6 12.344 -4.048 2.275
48 HZ3 TRP 6 3HZ TRP 6 11.338 -6.213 -1.259
49 HH2 TRP 6 2HH TRP 6 12.861 -4.769 -0.021
50 H GLU 7 HN GLU 7 6.122 -4.133 3.203
51 HA GLU 7 HA GLU 7 4.682 -4.998 5.498
52 HB2 GLU 7 2HB GLU 7 6.341 -3.219 5.677
53 HB3 GLU 7 1HB GLU 7 5.452 -2.233 4.537
54 HG2 GLU 7 2HG GLU 7 3.667 -1.930 6.136
55 HG3 GLU 7 1HG GLU 7 4.460 -3.014 7.272
56 H CYS 8 HN CYS 8 3.722 -3.863 2.462
57 HA CYS 8 HA CYS 8 1.084 -3.080 3.361
58 HB2 CYS 8 2HB CYS 8 2.367 -3.028 0.643
59 HB3 CYS 8 1HB CYS 8 0.834 -2.295 1.117
60 H GLY 9 HN GLY 9 2.637 -5.880 2.602
61 HA2 GLY 9 2HA GLY 9 1.756 -7.974 2.223
62 HA3 GLY 9 1HA GLY 9 0.176 -7.232 1.985
63 H ALA 10 HN ALA 10 -0.282 -8.371 0.115
64 HA ALA 10 HA ALA 10 1.590 -8.201 -2.095
65 HB1 ALA 10 1HB ALA 10 0.605 -10.378 -1.579
66 HB2 ALA 10 2HB ALA 10 0.154 -9.837 -3.197
67 HB3 ALA 10 3HB ALA 10 -1.005 -9.720 -1.874
68 H PHE 11 HN PHE 11 1.484 -6.482 -3.300
69 HA PHE 11 HA PHE 11 0.832 -4.666 -4.435
70 HB2 PHE 11 2HB PHE 11 -1.301 -6.604 -5.314
71 HB3 PHE 11 1HB PHE 11 -1.111 -5.012 -6.028
72 HD1 PHE 11 1HD PHE 11 0.752 -4.517 -7.468
73 HD2 PHE 11 2HD PHE 11 0.338 -8.349 -5.686
74 HE1 PHE 11 1HE PHE 11 2.417 -5.411 -9.023
75 HE2 PHE 11 2HE PHE 11 2.017 -9.259 -7.247
76 HZ PHE 11 HZ PHE 11 3.058 -7.789 -8.917
77 H LEU 12 HN LEU 12 0.433 -3.370 -2.625
78 HA LEU 12 HA LEU 12 -2.392 -2.668 -2.514
79 HB2 LEU 12 2HB LEU 12 -1.519 -3.969 -0.490
80 HB3 LEU 12 1HB LEU 12 -0.559 -2.550 -0.143
81 HG LEU 12 HG LEU 12 -2.580 -1.221 0.152
82 HD11 LEU 12 1HD1 LEU 12 -4.045 -2.392 -1.417
83 HD12 LEU 12 2HD1 LEU 12 -4.766 -2.402 0.193
84 HD13 LEU 12 3HD1 LEU 12 -3.968 -3.846 -0.422
85 HD21 LEU 12 1HD2 LEU 12 -1.642 -2.397 2.085
86 HD22 LEU 12 2HD2 LEU 12 -2.653 -3.796 1.719
87 HD23 LEU 12 3HD2 LEU 12 -3.397 -2.271 2.193
88 H PHE 13 HN PHE 13 -2.804 -0.500 -2.551
89 HA PHE 13 HA PHE 13 -0.656 1.154 -3.542
90 HB2 PHE 13 2HB PHE 13 -3.604 1.743 -3.168
91 HB3 PHE 13 1HB PHE 13 -2.456 2.776 -4.008
92 HD1 PHE 13 1HD PHE 13 -1.628 2.175 -6.213
93 HD2 PHE 13 2HD PHE 13 -4.445 -0.293 -4.182
94 HE1 PHE 13 1HE PHE 13 -2.102 0.991 -8.310
95 HE2 PHE 13 2HE PHE 13 -4.916 -1.482 -6.274
96 HZ PHE 13 HZ PHE 13 -3.748 -0.842 -8.344
97 H CYS 14 HN CYS 14 -0.190 3.285 -2.682
98 HA CYS 14 HA CYS 14 -0.482 3.351 0.221
99 HB2 CYS 14 2HB CYS 14 1.321 4.986 -1.543
100 HB3 CYS 14 1HB CYS 14 1.346 4.910 0.202
101 H ILE 15 HN ILE 15 -1.586 4.867 1.168
102 HA ILE 15 HA ILE 15 -2.419 7.246 -0.224
103 HB ILE 15 HB ILE 15 -4.235 5.378 1.320
104 HG12 ILE 15 2HG1 ILE 15 -3.968 4.644 -1.005
105 HG13 ILE 15 1HG1 ILE 15 -5.600 5.237 -0.737
106 HG21 ILE 15 1HG2 ILE 15 -4.862 8.110 0.251
107 HG22 ILE 15 2HG2 ILE 15 -4.772 7.618 1.945
108 HG23 ILE 15 3HG2 ILE 15 -6.051 6.985 0.910
109 HD11 ILE 15 1HD1 ILE 15 -3.361 6.690 -2.134
110 HD12 ILE 15 2HD1 ILE 15 -4.948 7.369 -1.799
111 HD13 ILE 15 3HD1 ILE 15 -4.796 5.982 -2.882
112 H GLU 16 HN GLU 16 -1.761 8.756 0.979
113 HA GLU 16 HA GLU 16 -1.086 10.094 2.629
114 HB2 GLU 16 2HB GLU 16 -2.823 8.272 4.196
115 HB3 GLU 16 1HB GLU 16 -2.134 9.780 4.852
116 HG2 GLU 16 2HG GLU 16 -3.367 11.029 3.126
117 HG3 GLU 16 1HG GLU 16 -4.040 9.524 2.513
118 H GLY 17 HN GLY 17 0.280 7.498 2.024
119 HA2 GLY 17 2HA GLY 17 2.558 7.105 2.575
120 HA3 GLY 17 1HA GLY 17 2.245 7.710 4.192
121 H ILE 18 HN ILE 18 -0.306 5.880 3.725
122 HA ILE 18 HA ILE 18 1.000 3.443 4.748
123 HB ILE 18 HB ILE 18 -1.817 4.451 5.308
124 HG12 ILE 18 2HG1 ILE 18 0.585 4.462 7.145
125 HG13 ILE 18 1HG1 ILE 18 -0.095 5.884 6.363
126 HG21 ILE 18 1HG2 ILE 18 -0.260 2.166 6.520
127 HG22 ILE 18 2HG2 ILE 18 -1.635 2.021 5.426
128 HG23 ILE 18 3HG2 ILE 18 -1.856 2.697 7.042
129 HD11 ILE 18 1HD1 ILE 18 -0.778 5.714 8.699
130 HD12 ILE 18 2HD1 ILE 18 -1.502 4.139 8.379
131 HD13 ILE 18 3HD1 ILE 18 -2.164 5.586 7.617
132 H CYS 19 HN CYS 19 0.250 1.491 3.809
133 HA CYS 19 HA CYS 19 -1.127 1.844 1.312
134 HB2 CYS 19 2HB CYS 19 -0.112 -0.705 2.581
135 HB3 CYS 19 1HB CYS 19 -0.695 -0.496 0.948
136 H VAL 20 HN VAL 20 -3.173 1.453 0.918
137 HA VAL 20 HA VAL 20 -4.771 -0.038 2.821
138 HB VAL 20 HB VAL 20 -4.868 2.376 3.509
139 HG11 VAL 20 1HG1 VAL 20 -5.970 4.038 2.137
140 HG12 VAL 20 2HG1 VAL 20 -6.103 2.860 0.830
141 HG13 VAL 20 3HG1 VAL 20 -4.513 3.397 1.366
142 HG21 VAL 20 1HG2 VAL 20 -6.797 1.006 4.003
143 HG22 VAL 20 2HG2 VAL 20 -7.471 1.331 2.405
144 HG23 VAL 20 3HG2 VAL 20 -7.315 2.638 3.580
145 HA PRO 21 HA PRO 21 -6.312 -1.541 -1.090
146 HB2 PRO 21 2HB PRO 21 -8.739 -2.481 -0.287
147 HB3 PRO 21 1HB PRO 21 -7.220 -3.340 -0.003
148 HG2 PRO 21 2HG PRO 21 -8.784 -1.579 1.843
149 HG3 PRO 21 1HG PRO 21 -8.012 -3.141 2.180
150 HD2 PRO 21 2HD PRO 21 -6.873 -0.831 2.906
151 HD3 PRO 21 1HD PRO 21 -5.897 -2.197 2.328
152 H MET 22 HN MET 22 -7.494 -0.756 -2.765
153 HA MET 22 HA MET 22 -9.040 1.538 -2.262
154 HB2 MET 22 2HB MET 22 -7.451 1.224 -4.254
155 HB3 MET 22 1HB MET 22 -8.701 0.118 -4.847
156 HG2 MET 22 2HG MET 22 -9.340 2.982 -4.272
157 HG3 MET 22 1HG MET 22 -8.628 2.502 -5.803
158 HE1 MET 22 1HE MET 22 -11.385 4.071 -5.464
159 HE2 MET 22 2HE MET 22 -12.401 3.246 -6.644
160 HE3 MET 22 3HE MET 22 -10.729 3.635 -7.044
161 H ILE 23 HN ILE 23 -11.192 1.604 -2.681
162 HA ILE 23 HA ILE 23 -12.547 -1.000 -2.409
163 HB ILE 23 HB ILE 23 -13.633 1.701 -1.557
164 HG12 ILE 23 2HG1 ILE 23 -11.657 1.158 -0.195
165 HG13 ILE 23 1HG1 ILE 23 -13.120 1.053 0.768
166 HG21 ILE 23 1HG2 ILE 23 -15.271 0.369 -0.274
167 HG22 ILE 23 2HG2 ILE 23 -14.579 -1.104 -0.953
168 HG23 ILE 23 3HG2 ILE 23 -15.369 0.064 -2.009
169 HD11 ILE 23 1HD1 ILE 23 -11.578 -1.264 -0.385
170 HD12 ILE 23 2HD1 ILE 23 -13.057 -1.386 0.569
171 HD13 ILE 23 3HD1 ILE 23 -11.587 -0.746 1.302
172 HN1 NH2 24 HN1 NH2 24 -12.901 -1.443 -4.502
173 HN2 NH2 24 HN2 NH2 24 -13.873 -0.474 -5.559
Start of MODEL 14
1 H1 ALA 1 1HT ALA 1 7.485 6.453 -0.932
2 H2 ALA 1 2HT ALA 1 6.684 7.066 -2.279
3 H3 ALA 1 3HT ALA 1 6.535 5.438 -1.860
4 HA ALA 1 HA ALA 1 5.622 7.710 -0.225
5 HB1 ALA 1 1HB ALA 1 4.047 5.755 -1.899
6 HB2 ALA 1 2HB ALA 1 4.233 7.483 -2.212
7 HB3 ALA 1 3HB ALA 1 3.359 6.924 -0.783
8 H CYS 2 HN CYS 2 4.959 4.236 -0.773
9 HA CYS 2 HA CYS 2 4.619 3.799 2.025
10 HB2 CYS 2 2HB CYS 2 4.806 1.916 -0.336
11 HB3 CYS 2 1HB CYS 2 4.362 1.427 1.296
12 H LYS 3 HN LYS 3 6.044 2.578 3.335
13 HA LYS 3 HA LYS 3 8.761 3.107 2.640
14 HB2 LYS 3 2HB LYS 3 7.586 1.790 5.087
15 HB3 LYS 3 1HB LYS 3 9.299 2.137 4.875
16 HG2 LYS 3 2HG LYS 3 8.761 4.543 4.657
17 HG3 LYS 3 1HG LYS 3 7.067 4.166 4.933
18 HD2 LYS 3 2HD LYS 3 8.080 4.978 6.975
19 HD3 LYS 3 1HD LYS 3 7.647 3.285 7.164
20 HE2 LYS 3 2HE LYS 3 9.822 3.690 8.138
21 HE3 LYS 3 1HE LYS 3 10.002 2.668 6.723
22 HZ1 LYS 3 1HZ LYS 3 10.681 4.641 5.452
23 HZ2 LYS 3 2HZ LYS 3 11.682 4.402 6.784
24 HZ3 LYS 3 3HZ LYS 3 10.502 5.593 6.820
25 H GLU 4 HN GLU 4 7.036 0.064 3.443
26 HA GLU 4 HA GLU 4 8.756 -1.208 1.492
27 HB2 GLU 4 2HB GLU 4 7.999 -2.202 4.192
28 HB3 GLU 4 1HB GLU 4 8.767 -3.176 2.957
29 HG2 GLU 4 2HG GLU 4 10.719 -1.721 2.971
30 HG3 GLU 4 1HG GLU 4 9.957 -0.693 4.181
31 H TYR 5 HN TYR 5 7.479 -1.702 0.028
32 HA TYR 5 HA TYR 5 4.666 -1.842 0.111
33 HB2 TYR 5 2HB TYR 5 6.042 -1.272 -1.874
34 HB3 TYR 5 1HB TYR 5 6.569 -2.926 -1.949
35 HD1 TYR 5 1HD TYR 5 5.613 -4.227 -3.547
36 HD2 TYR 5 2HD TYR 5 3.280 -1.125 -1.806
37 HE1 TYR 5 1HE TYR 5 3.778 -4.797 -5.030
38 HE2 TYR 5 2HE TYR 5 1.419 -1.687 -3.298
39 HH TYR 5 HH TYR 5 1.491 -4.541 -5.317
40 H TRP 6 HN TRP 6 7.099 -4.255 -0.109
41 HA TRP 6 HA TRP 6 5.515 -6.560 -0.353
42 HB2 TRP 6 2HB TRP 6 7.437 -7.874 0.201
43 HB3 TRP 6 1HB TRP 6 8.051 -6.441 -0.608
44 HD1 TRP 6 1HD TRP 6 9.217 -4.543 1.092
45 HE1 TRP 6 1HE TRP 6 10.471 -4.903 3.337
46 HE3 TRP 6 3HE TRP 6 7.644 -9.273 2.179
47 HZ2 TRP 6 2HZ TRP 6 10.762 -6.915 5.253
48 HZ3 TRP 6 3HZ TRP 6 8.462 -10.341 4.234
49 HH2 TRP 6 2HH TRP 6 9.986 -9.182 5.734
50 H GLU 7 HN GLU 7 6.382 -4.767 2.492
51 HA GLU 7 HA GLU 7 5.675 -6.693 4.450
52 HB2 GLU 7 2HB GLU 7 7.252 -4.934 4.922
53 HB3 GLU 7 1HB GLU 7 6.045 -3.711 4.566
54 HG2 GLU 7 2HG GLU 7 4.739 -4.501 6.498
55 HG3 GLU 7 1HG GLU 7 6.042 -5.627 6.876
56 H CYS 8 HN CYS 8 3.990 -4.332 2.682
57 HA CYS 8 HA CYS 8 1.774 -4.056 4.435
58 HB2 CYS 8 2HB CYS 8 2.090 -3.316 1.537
59 HB3 CYS 8 1HB CYS 8 0.827 -2.759 2.631
60 H GLY 9 HN GLY 9 2.689 -6.344 2.035
61 HA2 GLY 9 2HA GLY 9 1.370 -8.416 2.218
62 HA3 GLY 9 1HA GLY 9 -0.050 -7.388 2.035
63 H ALA 10 HN ALA 10 -0.605 -8.633 0.201
64 HA ALA 10 HA ALA 10 1.153 -8.283 -2.094
65 HB1 ALA 10 1HB ALA 10 0.438 -10.570 -1.613
66 HB2 ALA 10 2HB ALA 10 -0.170 -10.021 -3.173
67 HB3 ALA 10 3HB ALA 10 -1.248 -10.079 -1.777
68 H PHE 11 HN PHE 11 0.785 -6.612 -3.255
69 HA PHE 11 HA PHE 11 -0.107 -4.984 -4.501
70 HB2 PHE 11 2HB PHE 11 -1.181 -6.837 -5.705
71 HB3 PHE 11 1HB PHE 11 -2.566 -6.742 -4.626
72 HD1 PHE 11 1HD PHE 11 -0.630 -4.805 -7.123
73 HD2 PHE 11 2HD PHE 11 -4.353 -5.315 -5.130
74 HE1 PHE 11 1HE PHE 11 -1.659 -3.173 -8.636
75 HE2 PHE 11 2HE PHE 11 -5.386 -3.680 -6.640
76 HZ PHE 11 HZ PHE 11 -4.039 -2.604 -8.393
77 H LEU 12 HN LEU 12 -0.131 -3.261 -3.251
78 HA LEU 12 HA LEU 12 -2.694 -2.466 -2.065
79 HB2 LEU 12 2HB LEU 12 0.037 -2.181 -0.778
80 HB3 LEU 12 1HB LEU 12 -1.328 -1.205 -0.309
81 HG LEU 12 HG LEU 12 -1.025 -2.893 1.323
82 HD11 LEU 12 1HD1 LEU 12 -3.370 -3.641 -0.375
83 HD12 LEU 12 2HD1 LEU 12 -3.301 -2.376 0.851
84 HD13 LEU 12 3HD1 LEU 12 -3.130 -4.068 1.319
85 HD21 LEU 12 1HD2 LEU 12 0.275 -4.502 0.061
86 HD22 LEU 12 2HD2 LEU 12 -1.149 -4.936 -0.884
87 HD23 LEU 12 3HD2 LEU 12 -1.094 -5.290 0.844
88 H PHE 13 HN PHE 13 -2.850 -0.070 -1.890
89 HA PHE 13 HA PHE 13 -1.285 1.196 -4.007
90 HB2 PHE 13 2HB PHE 13 -3.959 1.956 -2.787
91 HB3 PHE 13 1HB PHE 13 -3.126 2.870 -4.033
92 HD1 PHE 13 1HD PHE 13 -4.936 -0.240 -3.291
93 HD2 PHE 13 2HD PHE 13 -3.224 2.203 -6.318
94 HE1 PHE 13 1HE PHE 13 -6.100 -1.561 -5.016
95 HE2 PHE 13 2HE PHE 13 -4.383 0.891 -8.037
96 HZ PHE 13 HZ PHE 13 -5.823 -0.990 -7.387
97 H CYS 14 HN CYS 14 -0.391 3.253 -3.517
98 HA CYS 14 HA CYS 14 -0.088 3.651 -0.641
99 HB2 CYS 14 2HB CYS 14 1.532 4.831 -2.875
100 HB3 CYS 14 1HB CYS 14 1.762 5.093 -1.158
101 H ILE 15 HN ILE 15 -0.831 5.309 0.311
102 HA ILE 15 HA ILE 15 -1.327 7.744 -1.003
103 HB ILE 15 HB ILE 15 -3.364 6.636 -1.603
104 HG12 ILE 15 2HG1 ILE 15 -4.001 8.423 0.746
105 HG13 ILE 15 1HG1 ILE 15 -3.507 9.018 -0.836
106 HG21 ILE 15 1HG2 ILE 15 -3.382 4.825 -0.031
107 HG22 ILE 15 2HG2 ILE 15 -4.931 5.660 -0.012
108 HG23 ILE 15 3HG2 ILE 15 -3.769 5.932 1.289
109 HD11 ILE 15 1HD1 ILE 15 -5.987 7.426 -0.224
110 HD12 ILE 15 2HD1 ILE 15 -5.524 8.037 -1.811
111 HD13 ILE 15 3HD1 ILE 15 -5.919 9.163 -0.511
112 H GLU 16 HN GLU 16 -0.643 9.169 0.285
113 HA GLU 16 HA GLU 16 -0.094 10.409 2.005
114 HB2 GLU 16 2HB GLU 16 -2.038 8.646 3.388
115 HB3 GLU 16 1HB GLU 16 -1.314 10.095 4.134
116 HG2 GLU 16 2HG GLU 16 -3.074 10.003 1.673
117 HG3 GLU 16 1HG GLU 16 -3.597 10.518 3.276
118 H GLY 17 HN GLY 17 1.118 7.812 1.337
119 HA2 GLY 17 2HA GLY 17 3.223 6.972 1.976
120 HA3 GLY 17 1HA GLY 17 3.022 7.757 3.536
121 H ILE 18 HN ILE 18 0.268 6.054 2.760
122 HA ILE 18 HA ILE 18 1.149 3.822 4.452
123 HB ILE 18 HB ILE 18 -1.621 5.053 4.232
124 HG12 ILE 18 2HG1 ILE 18 -0.073 6.571 5.373
125 HG13 ILE 18 1HG1 ILE 18 -1.268 5.933 6.489
126 HG21 ILE 18 1HG2 ILE 18 -0.611 2.922 6.117
127 HG22 ILE 18 2HG2 ILE 18 -1.730 2.681 4.779
128 HG23 ILE 18 3HG2 ILE 18 -2.213 3.660 6.165
129 HD11 ILE 18 1HD1 ILE 18 0.410 4.362 7.355
130 HD12 ILE 18 2HD1 ILE 18 0.929 6.040 7.515
131 HD13 ILE 18 3HD1 ILE 18 1.601 5.032 6.236
132 H CYS 19 HN CYS 19 0.543 1.776 3.807
133 HA CYS 19 HA CYS 19 -0.261 1.423 1.058
134 HB2 CYS 19 2HB CYS 19 0.229 -0.609 3.241
135 HB3 CYS 19 1HB CYS 19 0.020 -0.961 1.536
136 H VAL 20 HN VAL 20 -2.368 1.629 0.631
137 HA VAL 20 HA VAL 20 -4.296 0.445 2.508
138 HB VAL 20 HB VAL 20 -4.668 2.971 0.839
139 HG11 VAL 20 1HG1 VAL 20 -6.809 3.240 1.990
140 HG12 VAL 20 2HG1 VAL 20 -6.557 1.710 2.824
141 HG13 VAL 20 3HG1 VAL 20 -6.762 1.733 1.072
142 HG21 VAL 20 1HG2 VAL 20 -4.779 4.166 2.982
143 HG22 VAL 20 2HG2 VAL 20 -3.216 3.380 2.751
144 HG23 VAL 20 3HG2 VAL 20 -4.411 2.663 3.830
145 HA PRO 21 HA PRO 21 -5.512 -1.654 -1.290
146 HB2 PRO 21 2HB PRO 21 -7.654 -2.988 -0.322
147 HB3 PRO 21 1HB PRO 21 -6.003 -3.489 0.060
148 HG2 PRO 21 2HG PRO 21 -7.938 -1.927 1.719
149 HG3 PRO 21 1HG PRO 21 -6.822 -3.212 2.209
150 HD2 PRO 21 2HD PRO 21 -6.329 -0.543 2.571
151 HD3 PRO 21 1HD PRO 21 -5.054 -1.768 2.407
152 H MET 22 HN MET 22 -7.342 -1.494 -2.776
153 HA MET 22 HA MET 22 -8.766 0.902 -2.340
154 HB2 MET 22 2HB MET 22 -7.688 0.454 -4.529
155 HB3 MET 22 1HB MET 22 -8.799 -0.905 -4.726
156 HG2 MET 22 2HG MET 22 -9.439 1.112 -6.011
157 HG3 MET 22 1HG MET 22 -10.673 0.551 -4.880
158 HE1 MET 22 1HE MET 22 -10.525 3.473 -6.275
159 HE2 MET 22 2HE MET 22 -11.034 4.480 -4.919
160 HE3 MET 22 3HE MET 22 -11.845 2.946 -5.230
161 H ILE 23 HN ILE 23 -11.043 0.954 -2.610
162 HA ILE 23 HA ILE 23 -12.272 -1.504 -1.614
163 HB ILE 23 HB ILE 23 -12.348 0.222 0.062
164 HG12 ILE 23 2HG1 ILE 23 -14.825 0.482 0.447
165 HG13 ILE 23 1HG1 ILE 23 -15.081 -0.202 -1.153
166 HG21 ILE 23 1HG2 ILE 23 -12.082 2.194 -1.248
167 HG22 ILE 23 2HG2 ILE 23 -13.472 2.363 -0.181
168 HG23 ILE 23 3HG2 ILE 23 -13.715 2.027 -1.897
169 HD11 ILE 23 1HD1 ILE 23 -14.003 -2.269 -0.442
170 HD12 ILE 23 2HD1 ILE 23 -15.379 -1.866 0.586
171 HD13 ILE 23 3HD1 ILE 23 -13.737 -1.579 1.158
172 HN1 NH2 24 HN1 NH2 24 -12.822 -2.427 -3.503
173 HN2 NH2 24 HN2 NH2 24 -13.972 -1.781 -4.620
Start of MODEL 15
1 H1 ALA 1 1HT ALA 1 4.214 4.769 -3.545
2 H2 ALA 1 2HT ALA 1 4.417 3.103 -3.604
3 H3 ALA 1 3HT ALA 1 5.415 4.101 -4.524
4 HA ALA 1 HA ALA 1 6.542 3.255 -2.602
5 HB1 ALA 1 1HB ALA 1 5.987 6.212 -2.416
6 HB2 ALA 1 2HB ALA 1 7.156 5.455 -3.498
7 HB3 ALA 1 3HB ALA 1 7.384 5.364 -1.750
8 H CYS 2 HN CYS 2 5.193 1.946 -1.321
9 HA CYS 2 HA CYS 2 3.775 3.245 0.853
10 HB2 CYS 2 2HB CYS 2 4.200 0.347 0.084
11 HB3 CYS 2 1HB CYS 2 3.475 0.805 1.607
12 H LYS 3 HN LYS 3 4.475 3.079 3.004
13 HA LYS 3 HA LYS 3 7.217 3.464 3.430
14 HB2 LYS 3 2HB LYS 3 5.138 2.619 5.441
15 HB3 LYS 3 1HB LYS 3 6.708 3.304 5.832
16 HG2 LYS 3 2HG LYS 3 6.086 5.385 4.749
17 HG3 LYS 3 1HG LYS 3 4.533 4.698 4.294
18 HD2 LYS 3 2HD LYS 3 5.468 5.047 7.147
19 HD3 LYS 3 1HD LYS 3 4.483 6.220 6.287
20 HE2 LYS 3 2HE LYS 3 2.944 4.986 7.581
21 HE3 LYS 3 1HE LYS 3 2.801 4.321 5.967
22 HZ1 LYS 3 1HZ LYS 3 2.818 2.673 7.782
23 HZ2 LYS 3 2HZ LYS 3 4.420 3.044 8.118
24 HZ3 LYS 3 3HZ LYS 3 3.994 2.351 6.655
25 H GLU 4 HN GLU 4 5.268 0.664 4.474
26 HA GLU 4 HA GLU 4 7.732 -0.822 4.370
27 HB2 GLU 4 2HB GLU 4 6.623 -2.479 5.713
28 HB3 GLU 4 1HB GLU 4 6.961 -0.952 6.525
29 HG2 GLU 4 2HG GLU 4 4.221 -1.763 5.457
30 HG3 GLU 4 1HG GLU 4 4.709 -2.019 7.124
31 H TYR 5 HN TYR 5 7.701 -1.096 2.403
32 HA TYR 5 HA TYR 5 5.565 -2.060 0.756
33 HB2 TYR 5 2HB TYR 5 7.546 -0.855 -0.134
34 HB3 TYR 5 1HB TYR 5 8.502 -2.287 0.159
35 HD1 TYR 5 1HD TYR 5 8.850 -3.772 -1.596
36 HD2 TYR 5 2HD TYR 5 5.339 -1.364 -1.623
37 HE1 TYR 5 1HE TYR 5 8.234 -4.702 -3.774
38 HE2 TYR 5 2HE TYR 5 4.716 -2.286 -3.802
39 HH TYR 5 HH TYR 5 6.244 -5.016 -5.143
40 H TRP 6 HN TRP 6 8.285 -3.586 2.141
41 HA TRP 6 HA TRP 6 7.868 -6.207 1.120
42 HB2 TRP 6 2HB TRP 6 9.533 -6.959 2.749
43 HB3 TRP 6 1HB TRP 6 10.054 -5.453 2.004
44 HD1 TRP 6 1HD TRP 6 9.147 -6.981 5.345
45 HE1 TRP 6 1HE TRP 6 9.569 -5.286 7.218
46 HE3 TRP 6 3HE TRP 6 10.092 -2.825 2.494
47 HZ2 TRP 6 2HZ TRP 6 10.206 -2.555 7.467
48 HZ3 TRP 6 3HZ TRP 6 10.596 -0.714 3.642
49 HH2 TRP 6 2HH TRP 6 10.655 -0.585 6.078
50 H GLU 7 HN GLU 7 6.501 -4.505 3.763
51 HA GLU 7 HA GLU 7 5.565 -6.845 5.150
52 HB2 GLU 7 2HB GLU 7 6.273 -4.866 6.398
53 HB3 GLU 7 1HB GLU 7 5.053 -3.913 5.574
54 HG2 GLU 7 2HG GLU 7 4.336 -4.435 7.807
55 HG3 GLU 7 1HG GLU 7 3.307 -5.245 6.631
56 H CYS 8 HN CYS 8 4.179 -4.170 3.445
57 HA CYS 8 HA CYS 8 1.518 -5.115 3.604
58 HB2 CYS 8 2HB CYS 8 2.690 -3.086 1.717
59 HB3 CYS 8 1HB CYS 8 0.996 -3.280 2.152
60 H GLY 9 HN GLY 9 3.963 -5.200 1.082
61 HA2 GLY 9 2HA GLY 9 4.171 -6.731 -0.639
62 HA3 GLY 9 1HA GLY 9 2.641 -7.445 -0.150
63 H ALA 10 HN ALA 10 3.415 -6.958 -2.789
64 HA ALA 10 HA ALA 10 2.099 -4.621 -3.753
65 HB1 ALA 10 1HB ALA 10 3.031 -7.075 -5.250
66 HB2 ALA 10 2HB ALA 10 3.980 -5.614 -4.978
67 HB3 ALA 10 3HB ALA 10 2.529 -5.549 -5.978
68 H PHE 11 HN PHE 11 0.085 -4.572 -3.176
69 HA PHE 11 HA PHE 11 -1.934 -5.735 -4.660
70 HB2 PHE 11 2HB PHE 11 -1.466 -7.821 -3.335
71 HB3 PHE 11 1HB PHE 11 -1.771 -6.920 -1.853
72 HD1 PHE 11 1HD PHE 11 -3.902 -6.986 -0.940
73 HD2 PHE 11 2HD PHE 11 -3.417 -7.783 -5.091
74 HE1 PHE 11 1HE PHE 11 -6.297 -7.517 -1.119
75 HE2 PHE 11 2HE PHE 11 -5.812 -8.313 -5.269
76 HZ PHE 11 HZ PHE 11 -7.252 -8.178 -3.284
77 H LEU 12 HN LEU 12 -0.824 -4.321 -1.691
78 HA LEU 12 HA LEU 12 -3.251 -2.834 -1.258
79 HB2 LEU 12 2HB LEU 12 -0.522 -2.720 0.038
80 HB3 LEU 12 1HB LEU 12 -1.798 -1.596 0.433
81 HG LEU 12 HG LEU 12 -1.632 -3.265 2.139
82 HD11 LEU 12 1HD1 LEU 12 -3.900 -4.124 2.195
83 HD12 LEU 12 2HD1 LEU 12 -4.096 -3.718 0.493
84 HD13 LEU 12 3HD1 LEU 12 -3.841 -2.438 1.679
85 HD21 LEU 12 1HD2 LEU 12 -2.050 -5.642 1.724
86 HD22 LEU 12 2HD2 LEU 12 -0.612 -5.077 0.875
87 HD23 LEU 12 3HD2 LEU 12 -2.117 -5.324 -0.009
88 H PHE 13 HN PHE 13 -3.432 -0.608 -1.471
89 HA PHE 13 HA PHE 13 -1.815 0.482 -3.622
90 HB2 PHE 13 2HB PHE 13 -4.405 1.410 -2.347
91 HB3 PHE 13 1HB PHE 13 -3.595 2.228 -3.674
92 HD1 PHE 13 1HD PHE 13 -5.395 -0.852 -2.702
93 HD2 PHE 13 2HD PHE 13 -3.859 1.483 -5.910
94 HE1 PHE 13 1HE PHE 13 -6.652 -2.232 -4.314
95 HE2 PHE 13 2HE PHE 13 -5.109 0.117 -7.510
96 HZ PHE 13 HZ PHE 13 -6.510 -1.745 -6.715
97 H CYS 14 HN CYS 14 -0.753 2.460 -3.335
98 HA CYS 14 HA CYS 14 -0.260 3.081 -0.529
99 HB2 CYS 14 2HB CYS 14 1.276 4.048 -2.900
100 HB3 CYS 14 1HB CYS 14 1.731 4.159 -1.217
101 H ILE 15 HN ILE 15 -1.165 4.734 0.202
102 HA ILE 15 HA ILE 15 -1.693 7.053 -1.464
103 HB ILE 15 HB ILE 15 -3.641 5.892 0.558
104 HG12 ILE 15 2HG1 ILE 15 -3.925 6.211 -2.450
105 HG13 ILE 15 1HG1 ILE 15 -3.705 4.689 -1.599
106 HG21 ILE 15 1HG2 ILE 15 -3.853 8.406 -1.106
107 HG22 ILE 15 2HG2 ILE 15 -3.622 8.328 0.641
108 HG23 ILE 15 3HG2 ILE 15 -5.131 7.761 -0.076
109 HD11 ILE 15 1HD1 ILE 15 -6.016 5.011 -2.290
110 HD12 ILE 15 2HD1 ILE 15 -6.091 6.515 -1.369
111 HD13 ILE 15 3HD1 ILE 15 -5.886 4.977 -0.532
112 H GLU 16 HN GLU 16 -0.511 8.455 -0.662
113 HA GLU 16 HA GLU 16 0.707 9.807 0.642
114 HB2 GLU 16 2HB GLU 16 -1.225 8.790 2.642
115 HB3 GLU 16 1HB GLU 16 -0.009 10.036 3.009
116 HG2 GLU 16 2HG GLU 16 -2.251 10.220 0.992
117 HG3 GLU 16 1HG GLU 16 -2.204 11.032 2.557
118 H GLY 17 HN GLY 17 1.291 6.941 0.300
119 HA2 GLY 17 2HA GLY 17 3.263 5.768 0.805
120 HA3 GLY 17 1HA GLY 17 3.474 6.786 2.224
121 H ILE 18 HN ILE 18 0.393 5.973 2.409
122 HA ILE 18 HA ILE 18 0.908 3.908 4.387
123 HB ILE 18 HB ILE 18 -1.748 5.172 3.655
124 HG12 ILE 18 2HG1 ILE 18 -0.204 6.995 4.277
125 HG13 ILE 18 1HG1 ILE 18 -1.455 6.783 5.490
126 HG21 ILE 18 1HG2 ILE 18 -2.409 4.543 5.937
127 HG22 ILE 18 2HG2 ILE 18 -0.824 3.815 6.183
128 HG23 ILE 18 3HG2 ILE 18 -1.921 3.145 4.976
129 HD11 ILE 18 1HD1 ILE 18 0.161 5.583 6.902
130 HD12 ILE 18 2HD1 ILE 18 0.677 7.225 6.517
131 HD13 ILE 18 3HD1 ILE 18 1.401 5.857 5.675
132 H CYS 19 HN CYS 19 0.310 1.813 4.063
133 HA CYS 19 HA CYS 19 -0.548 0.933 1.444
134 HB2 CYS 19 2HB CYS 19 -0.365 -0.712 3.952
135 HB3 CYS 19 1HB CYS 19 -0.270 -1.259 2.292
136 H VAL 20 HN VAL 20 -2.723 1.196 1.011
137 HA VAL 20 HA VAL 20 -4.554 0.187 3.047
138 HB VAL 20 HB VAL 20 -6.227 1.960 2.417
139 HG11 VAL 20 1HG1 VAL 20 -3.663 2.972 3.621
140 HG12 VAL 20 2HG1 VAL 20 -4.948 2.123 4.477
141 HG13 VAL 20 3HG1 VAL 20 -5.253 3.718 3.786
142 HG21 VAL 20 1HG2 VAL 20 -5.286 2.643 0.284
143 HG22 VAL 20 2HG2 VAL 20 -3.838 3.240 1.094
144 HG23 VAL 20 3HG2 VAL 20 -5.394 4.022 1.379
145 HA PRO 21 HA PRO 21 -6.508 -1.733 -0.520
146 HB2 PRO 21 2HB PRO 21 -9.024 -1.852 0.951
147 HB3 PRO 21 1HB PRO 21 -7.958 -3.188 0.519
148 HG2 PRO 21 2HG PRO 21 -8.324 -2.355 3.084
149 HG3 PRO 21 1HG PRO 21 -6.823 -3.099 2.512
150 HD2 PRO 21 2HD PRO 21 -7.454 -0.211 2.965
151 HD3 PRO 21 1HD PRO 21 -5.971 -1.125 3.328
152 H MET 22 HN MET 22 -7.902 -0.946 -2.176
153 HA MET 22 HA MET 22 -8.636 1.738 -1.737
154 HB2 MET 22 2HB MET 22 -7.488 1.073 -3.845
155 HB3 MET 22 1HB MET 22 -8.948 0.152 -4.247
156 HG2 MET 22 2HG MET 22 -10.245 2.226 -4.276
157 HG3 MET 22 1HG MET 22 -8.782 3.139 -3.927
158 HE1 MET 22 1HE MET 22 -9.522 0.824 -7.855
159 HE2 MET 22 2HE MET 22 -10.682 0.912 -6.531
160 HE3 MET 22 3HE MET 22 -9.173 0.022 -6.327
161 H ILE 23 HN ILE 23 -10.691 2.496 -2.068
162 HA ILE 23 HA ILE 23 -12.840 0.569 -2.295
163 HB ILE 23 HB ILE 23 -12.659 1.094 0.020
164 HG12 ILE 23 2HG1 ILE 23 -15.035 2.554 -1.169
165 HG13 ILE 23 1HG1 ILE 23 -14.940 0.831 -0.836
166 HG21 ILE 23 1HG2 ILE 23 -12.787 4.009 -0.671
167 HG22 ILE 23 2HG2 ILE 23 -11.445 3.126 0.061
168 HG23 ILE 23 3HG2 ILE 23 -12.941 3.364 0.963
169 HD11 ILE 23 1HD1 ILE 23 -16.265 1.977 0.842
170 HD12 ILE 23 2HD1 ILE 23 -14.907 3.041 1.210
171 HD13 ILE 23 3HD1 ILE 23 -14.796 1.317 1.562
172 HN1 NH2 24 HN1 NH2 24 -13.362 1.027 -4.340
173 HN2 NH2 24 HN2 NH2 24 -13.789 2.581 -4.948
Start of MODEL 16
1 H1 ALA 1 1HT ALA 1 7.577 6.546 -1.987
2 H2 ALA 1 2HT ALA 1 6.965 7.306 -3.347
3 H3 ALA 1 3HT ALA 1 6.865 5.639 -3.200
4 HA ALA 1 HA ALA 1 5.535 7.620 -1.457
5 HB1 ALA 1 1HB ALA 1 4.300 5.801 -3.523
6 HB2 ALA 1 2HB ALA 1 4.553 7.534 -3.709
7 HB3 ALA 1 3HB ALA 1 3.446 6.931 -2.476
8 H CYS 2 HN CYS 2 5.354 4.174 -2.454
9 HA CYS 2 HA CYS 2 4.327 3.460 0.118
10 HB2 CYS 2 2HB CYS 2 5.269 1.716 -2.124
11 HB3 CYS 2 1HB CYS 2 4.203 1.253 -0.808
12 H LYS 3 HN LYS 3 5.480 2.894 1.747
13 HA LYS 3 HA LYS 3 8.359 3.036 1.656
14 HB2 LYS 3 2HB LYS 3 6.616 2.237 3.989
15 HB3 LYS 3 1HB LYS 3 8.256 2.839 4.032
16 HG2 LYS 3 2HG LYS 3 5.936 4.478 3.044
17 HG3 LYS 3 1HG LYS 3 6.463 4.460 4.720
18 HD2 LYS 3 2HD LYS 3 8.177 5.268 2.365
19 HD3 LYS 3 1HD LYS 3 7.337 6.389 3.434
20 HE2 LYS 3 2HE LYS 3 9.566 4.487 4.154
21 HE3 LYS 3 1HE LYS 3 9.623 6.246 4.136
22 HZ1 LYS 3 1HZ LYS 3 7.943 6.214 5.972
23 HZ2 LYS 3 2HZ LYS 3 9.394 5.481 6.370
24 HZ3 LYS 3 3HZ LYS 3 8.077 4.536 6.012
25 H GLU 4 HN GLU 4 5.983 0.596 2.692
26 HA GLU 4 HA GLU 4 7.972 -1.513 2.263
27 HB2 GLU 4 2HB GLU 4 5.537 -1.580 4.027
28 HB3 GLU 4 1HB GLU 4 6.868 -2.717 3.981
29 HG2 GLU 4 2HG GLU 4 6.895 0.087 5.083
30 HG3 GLU 4 1HG GLU 4 6.973 -1.420 5.987
31 H TYR 5 HN TYR 5 7.208 -3.154 0.892
32 HA TYR 5 HA TYR 5 4.512 -2.790 -0.166
33 HB2 TYR 5 2HB TYR 5 6.466 -3.272 -1.701
34 HB3 TYR 5 1HB TYR 5 6.571 -4.853 -0.952
35 HD1 TYR 5 1HD TYR 5 4.107 -2.700 -2.765
36 HD2 TYR 5 2HD TYR 5 5.440 -6.648 -1.914
37 HE1 TYR 5 1HE TYR 5 2.484 -3.588 -4.359
38 HE2 TYR 5 2HE TYR 5 3.824 -7.544 -3.495
39 HH TYR 5 HH TYR 5 1.840 -6.990 -4.588
40 H TRP 6 HN TRP 6 6.460 -5.174 1.342
41 HA TRP 6 HA TRP 6 4.788 -7.332 1.683
42 HB2 TRP 6 2HB TRP 6 6.222 -8.010 3.596
43 HB3 TRP 6 1HB TRP 6 7.160 -7.473 2.210
44 HD1 TRP 6 1HD TRP 6 8.199 -4.889 2.435
45 HE1 TRP 6 1HE TRP 6 9.018 -3.627 4.534
46 HE3 TRP 6 3HE TRP 6 6.022 -7.778 6.032
47 HZ2 TRP 6 2HZ TRP 6 8.811 -3.857 7.308
48 HZ3 TRP 6 3HZ TRP 6 6.395 -7.195 8.383
49 HH2 TRP 6 2HH TRP 6 7.762 -5.274 9.010
50 H GLU 7 HN GLU 7 5.036 -4.589 3.906
51 HA GLU 7 HA GLU 7 3.241 -5.561 5.896
52 HB2 GLU 7 2HB GLU 7 4.937 -3.889 6.401
53 HB3 GLU 7 1HB GLU 7 4.251 -2.791 5.224
54 HG2 GLU 7 2HG GLU 7 3.689 -2.011 7.409
55 HG3 GLU 7 1HG GLU 7 2.223 -2.612 6.646
56 H CYS 8 HN CYS 8 2.851 -3.981 2.926
57 HA CYS 8 HA CYS 8 0.240 -2.972 3.582
58 HB2 CYS 8 2HB CYS 8 1.925 -2.670 1.127
59 HB3 CYS 8 1HB CYS 8 0.438 -1.804 1.524
60 H GLY 9 HN GLY 9 1.754 -5.404 1.585
61 HA2 GLY 9 2HA GLY 9 0.458 -7.463 1.369
62 HA3 GLY 9 1HA GLY 9 -0.950 -6.453 1.075
63 H ALA 10 HN ALA 10 -1.440 -7.286 -0.902
64 HA ALA 10 HA ALA 10 0.565 -6.934 -3.005
65 HB1 ALA 10 1HB ALA 10 -1.813 -8.781 -2.907
66 HB2 ALA 10 2HB ALA 10 -0.129 -9.260 -2.688
67 HB3 ALA 10 3HB ALA 10 -0.676 -8.641 -4.246
68 H PHE 11 HN PHE 11 0.185 -5.357 -4.351
69 HA PHE 11 HA PHE 11 -0.694 -3.637 -5.423
70 HB2 PHE 11 2HB PHE 11 -1.964 -5.407 -6.648
71 HB3 PHE 11 1HB PHE 11 -3.289 -5.210 -5.506
72 HD1 PHE 11 1HD PHE 11 -1.317 -3.447 -8.097
73 HD2 PHE 11 2HD PHE 11 -4.903 -3.514 -5.821
74 HE1 PHE 11 1HE PHE 11 -2.242 -1.642 -9.493
75 HE2 PHE 11 2HE PHE 11 -5.828 -1.714 -7.216
76 HZ PHE 11 HZ PHE 11 -4.495 -0.778 -9.050
77 H LEU 12 HN LEU 12 -0.697 -1.930 -4.267
78 HA LEU 12 HA LEU 12 -2.995 -1.397 -2.617
79 HB2 LEU 12 2HB LEU 12 -1.409 -0.395 -0.859
80 HB3 LEU 12 1HB LEU 12 -1.692 -2.110 -0.865
81 HG LEU 12 HG LEU 12 0.653 -1.409 -0.337
82 HD11 LEU 12 1HD1 LEU 12 0.233 -3.651 -1.013
83 HD12 LEU 12 2HD1 LEU 12 1.766 -3.094 -1.684
84 HD13 LEU 12 3HD1 LEU 12 0.337 -3.194 -2.712
85 HD21 LEU 12 1HD2 LEU 12 0.944 0.434 -1.881
86 HD22 LEU 12 2HD2 LEU 12 0.773 -0.660 -3.250
87 HD23 LEU 12 3HD2 LEU 12 2.166 -0.804 -2.175
88 H PHE 13 HN PHE 13 -3.139 0.788 -1.896
89 HA PHE 13 HA PHE 13 -2.035 2.680 -3.856
90 HB2 PHE 13 2HB PHE 13 -4.463 3.064 -2.066
91 HB3 PHE 13 1HB PHE 13 -4.003 4.010 -3.473
92 HD1 PHE 13 1HD PHE 13 -4.253 3.007 -5.759
93 HD2 PHE 13 2HD PHE 13 -5.824 1.140 -2.268
94 HE1 PHE 13 1HE PHE 13 -5.744 1.631 -7.156
95 HE2 PHE 13 2HE PHE 13 -7.307 -0.228 -3.654
96 HZ PHE 13 HZ PHE 13 -7.271 0.010 -6.106
97 H CYS 14 HN CYS 14 -0.985 4.500 -2.850
98 HA CYS 14 HA CYS 14 -0.711 4.085 0.016
99 HB2 CYS 14 2HB CYS 14 1.478 4.923 -1.865
100 HB3 CYS 14 1HB CYS 14 1.617 4.871 -0.112
101 H ILE 15 HN ILE 15 -0.654 5.633 1.393
102 HA ILE 15 HA ILE 15 -1.058 8.323 0.472
103 HB ILE 15 HB ILE 15 -3.279 7.682 0.801
104 HG12 ILE 15 2HG1 ILE 15 -2.365 8.957 3.389
105 HG13 ILE 15 1HG1 ILE 15 -2.768 9.792 1.899
106 HG21 ILE 15 1HG2 ILE 15 -4.161 6.482 2.782
107 HG22 ILE 15 2HG2 ILE 15 -2.496 6.232 3.318
108 HG23 ILE 15 3HG2 ILE 15 -3.045 5.533 1.801
109 HD11 ILE 15 1HD1 ILE 15 -4.555 9.988 3.523
110 HD12 ILE 15 2HD1 ILE 15 -4.660 8.229 3.628
111 HD13 ILE 15 3HD1 ILE 15 -5.078 9.047 2.124
112 H GLU 16 HN GLU 16 0.602 9.233 1.200
113 HA GLU 16 HA GLU 16 2.153 10.172 2.501
114 HB2 GLU 16 2HB GLU 16 0.223 9.302 4.560
115 HB3 GLU 16 1HB GLU 16 1.621 10.344 4.905
116 HG2 GLU 16 2HG GLU 16 -0.707 10.952 3.075
117 HG3 GLU 16 1HG GLU 16 -0.414 11.681 4.654
118 H GLY 17 HN GLY 17 2.264 7.329 1.862
119 HA2 GLY 17 2HA GLY 17 4.231 6.002 2.116
120 HA3 GLY 17 1HA GLY 17 4.400 6.629 3.752
121 H ILE 18 HN ILE 18 1.370 6.187 3.873
122 HA ILE 18 HA ILE 18 1.597 3.507 4.956
123 HB ILE 18 HB ILE 18 -0.594 5.600 5.204
124 HG12 ILE 18 2HG1 ILE 18 1.570 4.823 7.179
125 HG13 ILE 18 1HG1 ILE 18 1.529 6.307 6.243
126 HG21 ILE 18 1HG2 ILE 18 -0.175 3.023 6.721
127 HG22 ILE 18 2HG2 ILE 18 -1.427 3.322 5.517
128 HG23 ILE 18 3HG2 ILE 18 -1.440 4.208 7.045
129 HD11 ILE 18 1HD1 ILE 18 -0.485 7.006 7.424
130 HD12 ILE 18 2HD1 ILE 18 0.827 6.661 8.550
131 HD13 ILE 18 3HD1 ILE 18 -0.479 5.496 8.335
132 H CYS 19 HN CYS 19 0.531 1.856 3.945
133 HA CYS 19 HA CYS 19 -0.672 2.545 1.374
134 HB2 CYS 19 2HB CYS 19 -0.224 -0.188 2.373
135 HB3 CYS 19 1HB CYS 19 -0.203 0.415 0.718
136 H VAL 20 HN VAL 20 -2.678 1.878 0.808
137 HA VAL 20 HA VAL 20 -4.212 0.368 2.755
138 HB VAL 20 HB VAL 20 -6.293 1.395 1.753
139 HG11 VAL 20 1HG1 VAL 20 -6.091 3.587 2.852
140 HG12 VAL 20 2HG1 VAL 20 -4.346 3.348 2.968
141 HG13 VAL 20 3HG1 VAL 20 -5.446 2.272 3.831
142 HG21 VAL 20 1HG2 VAL 20 -5.376 2.092 -0.398
143 HG22 VAL 20 2HG2 VAL 20 -4.358 3.289 0.407
144 HG23 VAL 20 3HG2 VAL 20 -6.116 3.454 0.441
145 HA PRO 21 HA PRO 21 -3.729 -2.600 -0.492
146 HB2 PRO 21 2HB PRO 21 -5.334 -4.542 0.539
147 HB3 PRO 21 1HB PRO 21 -3.699 -4.220 1.126
148 HG2 PRO 21 2HG PRO 21 -6.324 -3.345 2.259
149 HG3 PRO 21 1HG PRO 21 -4.885 -3.947 3.101
150 HD2 PRO 21 2HD PRO 21 -5.492 -1.321 2.971
151 HD3 PRO 21 1HD PRO 21 -3.818 -1.907 3.005
152 H MET 22 HN MET 22 -4.964 -3.806 -2.025
153 HA MET 22 HA MET 22 -6.872 -2.446 -3.399
154 HB2 MET 22 2HB MET 22 -5.399 -4.398 -4.124
155 HB3 MET 22 1HB MET 22 -6.608 -5.396 -3.324
156 HG2 MET 22 2HG MET 22 -7.455 -3.574 -5.526
157 HG3 MET 22 1HG MET 22 -6.686 -5.104 -5.910
158 HE1 MET 22 1HE MET 22 -7.795 -7.049 -3.628
159 HE2 MET 22 2HE MET 22 -7.729 -7.472 -5.337
160 HE3 MET 22 3HE MET 22 -9.224 -7.696 -4.431
161 H ILE 23 HN ILE 23 -8.977 -2.629 -3.579
162 HA ILE 23 HA ILE 23 -10.424 -3.645 -1.214
163 HB ILE 23 HB ILE 23 -11.337 -1.423 -3.075
164 HG12 ILE 23 2HG1 ILE 23 -10.153 -1.201 -0.298
165 HG13 ILE 23 1HG1 ILE 23 -9.300 -0.794 -1.783
166 HG21 ILE 23 1HG2 ILE 23 -13.152 -2.602 -1.950
167 HG22 ILE 23 2HG2 ILE 23 -12.974 -0.970 -1.298
168 HG23 ILE 23 3HG2 ILE 23 -12.365 -2.353 -0.391
169 HD11 ILE 23 1HD1 ILE 23 -10.946 0.968 -2.219
170 HD12 ILE 23 2HD1 ILE 23 -10.119 1.194 -0.681
171 HD13 ILE 23 3HD1 ILE 23 -11.766 0.563 -0.710
172 HN1 NH2 24 HN1 NH2 24 -11.025 -5.593 -1.877
173 HN2 NH2 24 HN2 NH2 24 -11.932 -5.960 -3.301
Start of MODEL 17
1 H1 ALA 1 1HT ALA 1 6.940 7.978 -1.853
2 H2 ALA 1 2HT ALA 1 7.687 7.352 -0.463
3 H3 ALA 1 3HT ALA 1 6.012 7.393 -0.574
4 HA ALA 1 HA ALA 1 6.023 5.805 -2.319
5 HB1 ALA 1 1HB ALA 1 9.015 5.790 -1.917
6 HB2 ALA 1 2HB ALA 1 8.169 6.433 -3.325
7 HB3 ALA 1 3HB ALA 1 8.103 4.708 -2.968
8 H CYS 2 HN CYS 2 5.996 3.559 -1.794
9 HA CYS 2 HA CYS 2 5.819 3.052 1.004
10 HB2 CYS 2 2HB CYS 2 5.941 1.002 -1.180
11 HB3 CYS 2 1HB CYS 2 5.118 0.878 0.362
12 H LYS 3 HN LYS 3 7.497 2.489 2.248
13 HA LYS 3 HA LYS 3 10.042 1.902 0.982
14 HB2 LYS 3 2HB LYS 3 9.348 2.069 3.923
15 HB3 LYS 3 1HB LYS 3 10.973 1.910 3.269
16 HG2 LYS 3 2HG LYS 3 10.699 4.074 2.139
17 HG3 LYS 3 1HG LYS 3 9.106 4.225 2.863
18 HD2 LYS 3 2HD LYS 3 11.731 4.084 4.373
19 HD3 LYS 3 1HD LYS 3 10.811 5.545 4.059
20 HE2 LYS 3 2HE LYS 3 10.236 5.023 6.255
21 HE3 LYS 3 1HE LYS 3 8.901 4.353 5.332
22 HZ1 LYS 3 1HZ LYS 3 11.214 2.806 6.378
23 HZ2 LYS 3 2HZ LYS 3 9.887 2.090 5.636
24 HZ3 LYS 3 3HZ LYS 3 9.718 2.880 7.097
25 H GLU 4 HN GLU 4 7.986 0.378 3.399
26 HA GLU 4 HA GLU 4 9.032 -2.216 2.570
27 HB2 GLU 4 2HB GLU 4 7.447 -1.409 4.964
28 HB3 GLU 4 1HB GLU 4 7.832 -3.061 4.517
29 HG2 GLU 4 2HG GLU 4 9.306 -2.234 6.346
30 HG3 GLU 4 1HG GLU 4 10.198 -2.690 4.905
31 H TYR 5 HN TYR 5 7.919 -2.407 0.886
32 HA TYR 5 HA TYR 5 5.049 -1.952 0.670
33 HB2 TYR 5 2HB TYR 5 6.649 -1.602 -1.211
34 HB3 TYR 5 1HB TYR 5 6.879 -3.328 -1.282
35 HD1 TYR 5 1HD TYR 5 5.582 -4.613 -2.719
36 HD2 TYR 5 2HD TYR 5 4.140 -0.790 -1.517
37 HE1 TYR 5 1HE TYR 5 3.725 -4.821 -4.292
38 HE2 TYR 5 2HE TYR 5 2.281 -0.990 -3.079
39 HH TYR 5 HH TYR 5 1.744 -2.163 -5.115
40 H TRP 6 HN TRP 6 7.223 -4.573 0.785
41 HA TRP 6 HA TRP 6 5.611 -6.791 0.487
42 HB2 TRP 6 2HB TRP 6 7.251 -8.041 1.862
43 HB3 TRP 6 1HB TRP 6 8.004 -7.055 0.616
44 HD1 TRP 6 1HD TRP 6 9.431 -4.929 1.458
45 HE1 TRP 6 1HE TRP 6 10.517 -4.385 3.736
46 HE3 TRP 6 3HE TRP 6 6.999 -8.344 4.382
47 HZ2 TRP 6 2HZ TRP 6 10.367 -5.275 6.388
48 HZ3 TRP 6 3HZ TRP 6 7.538 -8.432 6.777
49 HH2 TRP 6 2HH TRP 6 9.190 -6.923 7.753
50 H GLU 7 HN GLU 7 5.923 -4.787 3.358
51 HA GLU 7 HA GLU 7 4.589 -6.609 5.102
52 HB2 GLU 7 2HB GLU 7 6.118 -4.887 5.982
53 HB3 GLU 7 1HB GLU 7 5.021 -3.630 5.421
54 HG2 GLU 7 2HG GLU 7 3.285 -4.503 6.928
55 HG3 GLU 7 1HG GLU 7 4.425 -5.704 7.517
56 H CYS 8 HN CYS 8 3.608 -4.105 3.006
57 HA CYS 8 HA CYS 8 0.915 -4.050 3.969
58 HB2 CYS 8 2HB CYS 8 2.237 -2.820 1.545
59 HB3 CYS 8 1HB CYS 8 0.596 -2.473 2.069
60 H GLY 9 HN GLY 9 2.716 -5.290 1.249
61 HA2 GLY 9 2HA GLY 9 2.166 -7.558 0.572
62 HA3 GLY 9 1HA GLY 9 0.473 -7.107 0.753
63 H ALA 10 HN ALA 10 1.485 -8.184 -1.554
64 HA ALA 10 HA ALA 10 2.209 -6.231 -3.456
65 HB1 ALA 10 1HB ALA 10 1.775 -7.967 -5.105
66 HB2 ALA 10 2HB ALA 10 0.958 -8.933 -3.878
67 HB3 ALA 10 3HB ALA 10 2.688 -8.619 -3.742
68 H PHE 11 HN PHE 11 1.010 -4.796 -4.429
69 HA PHE 11 HA PHE 11 -0.591 -3.759 -5.436
70 HB2 PHE 11 2HB PHE 11 -2.224 -6.267 -5.074
71 HB3 PHE 11 1HB PHE 11 -2.907 -4.808 -5.787
72 HD1 PHE 11 1HD PHE 11 -0.418 -7.488 -6.221
73 HD2 PHE 11 2HD PHE 11 -2.317 -4.117 -7.993
74 HE1 PHE 11 1HE PHE 11 0.522 -8.107 -8.407
75 HE2 PHE 11 2HE PHE 11 -1.384 -4.734 -10.176
76 HZ PHE 11 HZ PHE 11 0.039 -6.732 -10.387
77 H LEU 12 HN LEU 12 -0.299 -4.123 -2.346
78 HA LEU 12 HA LEU 12 -2.702 -2.588 -1.794
79 HB2 LEU 12 2HB LEU 12 -1.848 -4.390 -0.148
80 HB3 LEU 12 1HB LEU 12 -0.530 -3.287 0.203
81 HG LEU 12 HG LEU 12 -2.165 -1.592 0.973
82 HD11 LEU 12 1HD1 LEU 12 -4.477 -2.285 1.355
83 HD12 LEU 12 2HD1 LEU 12 -4.162 -3.784 0.481
84 HD13 LEU 12 3HD1 LEU 12 -4.062 -2.233 -0.353
85 HD21 LEU 12 1HD2 LEU 12 -1.176 -3.116 2.627
86 HD22 LEU 12 2HD2 LEU 12 -2.462 -4.275 2.312
87 HD23 LEU 12 3HD2 LEU 12 -2.844 -2.713 3.033
88 H PHE 13 HN PHE 13 -2.506 -0.639 -2.467
89 HA PHE 13 HA PHE 13 0.074 0.540 -2.950
90 HB2 PHE 13 2HB PHE 13 -1.674 0.579 -4.659
91 HB3 PHE 13 1HB PHE 13 -2.740 1.454 -3.580
92 HD1 PHE 13 1HD PHE 13 -2.964 3.701 -3.974
93 HD2 PHE 13 2HD PHE 13 0.697 1.796 -5.021
94 HE1 PHE 13 1HE PHE 13 -2.136 5.816 -4.911
95 HE2 PHE 13 2HE PHE 13 1.529 3.910 -5.958
96 HZ PHE 13 HZ PHE 13 0.111 5.922 -5.906
97 H CYS 14 HN CYS 14 0.666 2.644 -2.233
98 HA CYS 14 HA CYS 14 -0.396 3.268 0.410
99 HB2 CYS 14 2HB CYS 14 2.073 4.323 -0.937
100 HB3 CYS 14 1HB CYS 14 1.628 4.528 0.743
101 H ILE 15 HN ILE 15 -1.495 4.988 0.691
102 HA ILE 15 HA ILE 15 -1.598 7.041 -1.363
103 HB ILE 15 HB ILE 15 -3.926 6.088 0.327
104 HG12 ILE 15 2HG1 ILE 15 -3.433 5.641 -2.634
105 HG13 ILE 15 1HG1 ILE 15 -3.352 4.402 -1.389
106 HG21 ILE 15 1HG2 ILE 15 -5.270 7.568 -1.105
107 HG22 ILE 15 2HG2 ILE 15 -3.808 8.059 -1.959
108 HG23 ILE 15 3HG2 ILE 15 -4.007 8.461 -0.254
109 HD11 ILE 15 1HD1 ILE 15 -5.755 4.711 -0.960
110 HD12 ILE 15 2HD1 ILE 15 -5.427 4.255 -2.632
111 HD13 ILE 15 3HD1 ILE 15 -5.809 5.930 -2.232
112 H GLU 16 HN GLU 16 -0.660 8.626 -0.457
113 HA GLU 16 HA GLU 16 -0.017 10.279 0.865
114 HB2 GLU 16 2HB GLU 16 -2.534 10.345 1.273
115 HB3 GLU 16 1HB GLU 16 -2.182 9.470 2.760
116 HG2 GLU 16 2HG GLU 16 -0.664 11.241 3.390
117 HG3 GLU 16 1HG GLU 16 -1.160 12.112 1.937
118 H GLY 17 HN GLY 17 0.775 7.478 1.173
119 HA2 GLY 17 2HA GLY 17 2.797 6.868 2.336
120 HA3 GLY 17 1HA GLY 17 2.238 7.827 3.698
121 H ILE 18 HN ILE 18 -0.481 6.512 3.212
122 HA ILE 18 HA ILE 18 0.071 4.242 4.990
123 HB ILE 18 HB ILE 18 -2.562 5.576 4.259
124 HG12 ILE 18 2HG1 ILE 18 -1.145 7.136 5.478
125 HG13 ILE 18 1HG1 ILE 18 -2.476 6.608 6.501
126 HG21 ILE 18 1HG2 ILE 18 -3.518 4.400 6.181
127 HG22 ILE 18 2HG2 ILE 18 -1.974 3.601 6.460
128 HG23 ILE 18 3HG2 ILE 18 -2.883 3.268 4.985
129 HD11 ILE 18 1HD1 ILE 18 -0.409 6.737 7.752
130 HD12 ILE 18 2HD1 ILE 18 0.369 5.632 6.625
131 HD13 ILE 18 3HD1 ILE 18 -0.956 5.064 7.643
132 H CYS 19 HN CYS 19 -0.420 2.120 4.356
133 HA CYS 19 HA CYS 19 -0.974 1.728 1.553
134 HB2 CYS 19 2HB CYS 19 -0.643 -0.300 3.798
135 HB3 CYS 19 1HB CYS 19 -0.663 -0.655 2.076
136 H VAL 20 HN VAL 20 -2.966 1.866 0.874
137 HA VAL 20 HA VAL 20 -5.151 1.351 2.768
138 HB VAL 20 HB VAL 20 -5.082 3.272 0.424
139 HG11 VAL 20 1HG1 VAL 20 -7.260 4.070 1.225
140 HG12 VAL 20 2HG1 VAL 20 -7.264 2.806 2.453
141 HG13 VAL 20 3HG1 VAL 20 -7.324 2.372 0.746
142 HG21 VAL 20 1HG2 VAL 20 -3.749 4.086 2.287
143 HG22 VAL 20 2HG2 VAL 20 -5.098 3.824 3.391
144 HG23 VAL 20 3HG2 VAL 20 -5.222 5.045 2.127
145 HA PRO 21 HA PRO 21 -6.305 -1.720 -0.283
146 HB2 PRO 21 2HB PRO 21 -8.427 -2.730 1.052
147 HB3 PRO 21 1HB PRO 21 -6.767 -3.121 1.502
148 HG2 PRO 21 2HG PRO 21 -8.655 -1.178 2.759
149 HG3 PRO 21 1HG PRO 21 -7.498 -2.273 3.531
150 HD2 PRO 21 2HD PRO 21 -7.052 0.403 3.126
151 HD3 PRO 21 1HD PRO 21 -5.761 -0.805 3.275
152 H MET 22 HN MET 22 -7.611 -1.462 -2.067
153 HA MET 22 HA MET 22 -9.266 0.702 -2.259
154 HB2 MET 22 2HB MET 22 -9.529 -0.021 -4.480
155 HB3 MET 22 1HB MET 22 -7.890 -0.388 -4.031
156 HG2 MET 22 2HG MET 22 -8.498 -2.279 -5.215
157 HG3 MET 22 1HG MET 22 -8.802 -2.771 -3.551
158 HE1 MET 22 1HE MET 22 -10.383 -4.710 -4.151
159 HE2 MET 22 2HE MET 22 -10.030 -4.425 -5.859
160 HE3 MET 22 3HE MET 22 -11.706 -4.604 -5.313
161 H ILE 23 HN ILE 23 -11.588 0.530 -2.851
162 HA ILE 23 HA ILE 23 -12.930 -1.191 -0.932
163 HB ILE 23 HB ILE 23 -14.114 0.993 -2.683
164 HG12 ILE 23 2HG1 ILE 23 -13.287 1.099 0.235
165 HG13 ILE 23 1HG1 ILE 23 -12.390 1.826 -1.091
166 HG21 ILE 23 1HG2 ILE 23 -15.238 -0.425 -0.252
167 HG22 ILE 23 2HG2 ILE 23 -15.784 -0.634 -1.915
168 HG23 ILE 23 3HG2 ILE 23 -16.008 0.915 -1.102
169 HD11 ILE 23 1HD1 ILE 23 -13.689 3.488 0.097
170 HD12 ILE 23 2HD1 ILE 23 -15.168 2.574 -0.200
171 HD13 ILE 23 3HD1 ILE 23 -14.294 3.302 -1.549
172 HN1 NH2 24 HN1 NH2 24 -13.142 -3.187 -1.718
173 HN2 NH2 24 HN2 NH2 24 -13.865 -3.596 -3.238
Start of MODEL 18
1 H1 ALA 1 1HT ALA 1 3.747 6.024 -2.876
2 H2 ALA 1 2HT ALA 1 2.280 5.543 -2.208
3 H3 ALA 1 3HT ALA 1 2.422 5.671 -3.877
4 HA ALA 1 HA ALA 1 2.463 3.378 -3.145
5 HB1 ALA 1 1HB ALA 1 3.751 3.954 -5.136
6 HB2 ALA 1 2HB ALA 1 4.591 2.713 -4.203
7 HB3 ALA 1 3HB ALA 1 5.132 4.389 -4.133
8 H CYS 2 HN CYS 2 3.998 1.699 -2.117
9 HA CYS 2 HA CYS 2 4.614 2.607 0.526
10 HB2 CYS 2 2HB CYS 2 4.650 -0.047 -0.841
11 HB3 CYS 2 1HB CYS 2 5.625 0.153 0.593
12 H LYS 3 HN LYS 3 6.562 2.617 1.491
13 HA LYS 3 HA LYS 3 8.896 2.934 -0.237
14 HB2 LYS 3 2HB LYS 3 8.478 3.343 2.730
15 HB3 LYS 3 1HB LYS 3 10.000 3.614 1.906
16 HG2 LYS 3 2HG LYS 3 8.933 5.386 0.573
17 HG3 LYS 3 1HG LYS 3 7.431 5.124 1.469
18 HD2 LYS 3 2HD LYS 3 8.480 5.724 3.527
19 HD3 LYS 3 1HD LYS 3 10.060 5.795 2.758
20 HE2 LYS 3 2HE LYS 3 9.205 7.670 1.347
21 HE3 LYS 3 1HE LYS 3 7.712 7.627 2.287
22 HZ1 LYS 3 1HZ LYS 3 9.002 8.105 4.276
23 HZ2 LYS 3 2HZ LYS 3 9.241 9.312 3.137
24 HZ3 LYS 3 3HZ LYS 3 10.418 8.126 3.375
25 H GLU 4 HN GLU 4 7.599 1.139 2.429
26 HA GLU 4 HA GLU 4 9.614 -0.952 2.157
27 HB2 GLU 4 2HB GLU 4 7.606 -0.408 4.329
28 HB3 GLU 4 1HB GLU 4 8.877 -1.617 4.371
29 HG2 GLU 4 2HG GLU 4 10.582 0.101 4.391
30 HG3 GLU 4 1HG GLU 4 9.351 1.354 4.252
31 H TYR 5 HN TYR 5 8.894 -2.520 0.957
32 HA TYR 5 HA TYR 5 6.395 -2.803 -0.220
33 HB2 TYR 5 2HB TYR 5 8.493 -3.906 -0.987
34 HB3 TYR 5 1HB TYR 5 8.367 -5.011 0.365
35 HD1 TYR 5 1HD TYR 5 6.745 -6.821 0.375
36 HD2 TYR 5 2HD TYR 5 6.938 -4.082 -2.873
37 HE1 TYR 5 1HE TYR 5 5.328 -8.301 -0.943
38 HE2 TYR 5 2HE TYR 5 5.530 -5.560 -4.201
39 HH TYR 5 HH TYR 5 4.878 -7.912 -4.282
40 H TRP 6 HN TRP 6 7.719 -4.451 2.471
41 HA TRP 6 HA TRP 6 5.650 -6.264 3.016
42 HB2 TRP 6 2HB TRP 6 6.836 -6.580 5.196
43 HB3 TRP 6 1HB TRP 6 7.802 -6.729 3.726
44 HD1 TRP 6 1HD TRP 6 7.484 -4.574 6.865
45 HE1 TRP 6 1HE TRP 6 9.523 -3.002 6.983
46 HE3 TRP 6 3HE TRP 6 9.517 -5.501 2.263
47 HZ2 TRP 6 2HZ TRP 6 11.700 -2.260 5.337
48 HZ3 TRP 6 3HZ TRP 6 11.560 -4.320 1.620
49 HH2 TRP 6 2HH TRP 6 12.625 -2.739 3.128
50 H GLU 7 HN GLU 7 5.673 -3.015 3.574
51 HA GLU 7 HA GLU 7 4.272 -2.837 6.043
52 HB2 GLU 7 2HB GLU 7 5.422 -0.908 4.987
53 HB3 GLU 7 1HB GLU 7 4.198 -0.900 3.728
54 HG2 GLU 7 2HG GLU 7 3.681 0.822 5.289
55 HG3 GLU 7 1HG GLU 7 2.492 -0.464 5.477
56 H CYS 8 HN CYS 8 3.060 -2.551 2.790
57 HA CYS 8 HA CYS 8 0.429 -3.356 3.775
58 HB2 CYS 8 2HB CYS 8 1.168 -1.595 1.465
59 HB3 CYS 8 1HB CYS 8 -0.454 -2.053 1.949
60 H GLY 9 HN GLY 9 2.953 -3.996 1.465
61 HA2 GLY 9 2HA GLY 9 3.185 -5.798 0.049
62 HA3 GLY 9 1HA GLY 9 1.534 -6.282 0.433
63 H ALA 10 HN ALA 10 2.757 -6.112 -2.226
64 HA ALA 10 HA ALA 10 1.559 -3.747 -3.358
65 HB1 ALA 10 1HB ALA 10 2.460 -4.521 -5.491
66 HB2 ALA 10 2HB ALA 10 2.997 -6.018 -4.720
67 HB3 ALA 10 3HB ALA 10 3.696 -4.471 -4.238
68 H PHE 11 HN PHE 11 -0.477 -3.902 -3.104
69 HA PHE 11 HA PHE 11 -2.120 -5.209 -4.962
70 HB2 PHE 11 2HB PHE 11 -1.799 -7.173 -3.429
71 HB3 PHE 11 1HB PHE 11 -2.318 -6.180 -2.076
72 HD1 PHE 11 1HD PHE 11 -3.504 -7.458 -5.370
73 HD2 PHE 11 2HD PHE 11 -4.551 -6.198 -1.438
74 HE1 PHE 11 1HE PHE 11 -5.830 -8.157 -5.761
75 HE2 PHE 11 2HE PHE 11 -6.868 -6.893 -1.829
76 HZ PHE 11 HZ PHE 11 -7.514 -7.877 -3.991
77 H LEU 12 HN LEU 12 -1.817 -3.933 -1.719
78 HA LEU 12 HA LEU 12 -3.997 -2.061 -2.114
79 HB2 LEU 12 2HB LEU 12 -1.956 -2.280 0.132
80 HB3 LEU 12 1HB LEU 12 -3.272 -1.141 0.097
81 HG LEU 12 HG LEU 12 -3.854 -2.773 1.641
82 HD11 LEU 12 1HD1 LEU 12 -5.858 -3.834 0.746
83 HD12 LEU 12 2HD1 LEU 12 -5.320 -3.452 -0.888
84 HD13 LEU 12 3HD1 LEU 12 -5.698 -2.151 0.241
85 HD21 LEU 12 1HD2 LEU 12 -3.898 -5.202 1.179
86 HD22 LEU 12 2HD2 LEU 12 -2.277 -4.516 1.085
87 HD23 LEU 12 3HD2 LEU 12 -3.159 -4.891 -0.394
88 H PHE 13 HN PHE 13 -3.490 0.246 -1.919
89 HA PHE 13 HA PHE 13 -0.871 0.835 -3.052
90 HB2 PHE 13 2HB PHE 13 -3.359 2.566 -2.855
91 HB3 PHE 13 1HB PHE 13 -1.815 3.123 -3.479
92 HD1 PHE 13 1HD PHE 13 -0.813 1.640 -5.394
93 HD2 PHE 13 2HD PHE 13 -4.929 1.792 -4.319
94 HE1 PHE 13 1HE PHE 13 -1.422 0.849 -7.634
95 HE2 PHE 13 2HE PHE 13 -5.541 1.002 -6.546
96 HZ PHE 13 HZ PHE 13 -3.785 0.522 -8.215
97 H CYS 14 HN CYS 14 0.026 3.024 -2.074
98 HA CYS 14 HA CYS 14 -0.505 2.900 0.800
99 HB2 CYS 14 2HB CYS 14 2.298 2.980 -0.191
100 HB3 CYS 14 1HB CYS 14 1.699 2.660 1.424
101 H ILE 15 HN ILE 15 -0.799 4.829 1.446
102 HA ILE 15 HA ILE 15 0.478 6.963 -0.016
103 HB ILE 15 HB ILE 15 -1.872 7.334 0.031
104 HG12 ILE 15 2HG1 ILE 15 -0.497 9.184 1.980
105 HG13 ILE 15 1HG1 ILE 15 -0.485 9.312 0.230
106 HG21 ILE 15 1HG2 ILE 15 -1.809 7.211 3.042
107 HG22 ILE 15 2HG2 ILE 15 -2.483 5.967 1.988
108 HG23 ILE 15 3HG2 ILE 15 -3.229 7.567 2.059
109 HD11 ILE 15 1HD1 ILE 15 -2.878 9.758 0.246
110 HD12 ILE 15 2HD1 ILE 15 -1.991 10.919 1.238
111 HD13 ILE 15 3HD1 ILE 15 -2.894 9.612 2.003
112 H GLU 16 HN GLU 16 2.290 6.954 0.662
113 HA GLU 16 HA GLU 16 4.170 7.290 1.831
114 HB2 GLU 16 2HB GLU 16 2.297 8.622 3.660
115 HB3 GLU 16 1HB GLU 16 4.052 8.935 3.616
116 HG2 GLU 16 2HG GLU 16 1.882 9.758 1.690
117 HG3 GLU 16 1HG GLU 16 3.134 10.757 2.426
118 H GLY 17 HN GLY 17 2.563 4.967 2.427
119 HA2 GLY 17 2HA GLY 17 3.573 3.172 3.765
120 HA3 GLY 17 1HA GLY 17 3.708 4.339 5.074
121 H ILE 18 HN ILE 18 0.897 5.279 4.157
122 HA ILE 18 HA ILE 18 -0.532 3.383 5.848
123 HB ILE 18 HB ILE 18 -1.503 5.887 4.430
124 HG12 ILE 18 2HG1 ILE 18 0.156 6.460 6.112
125 HG13 ILE 18 1HG1 ILE 18 -1.435 6.970 6.657
126 HG21 ILE 18 1HG2 ILE 18 -3.466 5.805 5.896
127 HG22 ILE 18 2HG2 ILE 18 -2.897 4.273 6.557
128 HG23 ILE 18 3HG2 ILE 18 -3.357 4.381 4.859
129 HD11 ILE 18 1HD1 ILE 18 -0.161 6.027 8.485
130 HD12 ILE 18 2HD1 ILE 18 0.082 4.535 7.585
131 HD13 ILE 18 3HD1 ILE 18 -1.537 4.986 8.117
132 H CYS 19 HN CYS 19 -1.994 1.859 5.057
133 HA CYS 19 HA CYS 19 -1.724 1.309 2.249
134 HB2 CYS 19 2HB CYS 19 -3.470 -0.302 4.120
135 HB3 CYS 19 1HB CYS 19 -2.597 -0.783 2.699
136 H VAL 20 HN VAL 20 -3.166 1.674 0.751
137 HA VAL 20 HA VAL 20 -5.698 2.947 1.462
138 HB VAL 20 HB VAL 20 -4.328 2.702 -1.226
139 HG11 VAL 20 1HG1 VAL 20 -5.876 4.468 -1.976
140 HG12 VAL 20 2HG1 VAL 20 -6.670 4.418 -0.402
141 HG13 VAL 20 3HG1 VAL 20 -6.726 3.009 -1.462
142 HG21 VAL 20 1HG2 VAL 20 -4.390 5.055 0.660
143 HG22 VAL 20 2HG2 VAL 20 -3.730 5.082 -0.975
144 HG23 VAL 20 3HG2 VAL 20 -2.984 4.068 0.260
145 HA PRO 21 HA PRO 21 -7.611 -1.041 0.868
146 HB2 PRO 21 2HB PRO 21 -10.013 0.591 0.296
147 HB3 PRO 21 1HB PRO 21 -9.777 -0.698 1.479
148 HG2 PRO 21 2HG PRO 21 -9.887 1.858 2.235
149 HG3 PRO 21 1HG PRO 21 -8.795 0.707 3.021
150 HD2 PRO 21 2HD PRO 21 -8.186 2.848 1.046
151 HD3 PRO 21 1HD PRO 21 -7.244 2.257 2.435
152 H MET 22 HN MET 22 -7.824 -2.318 -0.796
153 HA MET 22 HA MET 22 -7.859 -1.342 -3.423
154 HB2 MET 22 2HB MET 22 -6.469 -3.140 -3.106
155 HB3 MET 22 1HB MET 22 -7.669 -4.058 -2.177
156 HG2 MET 22 2HG MET 22 -7.261 -5.094 -4.327
157 HG3 MET 22 1HG MET 22 -8.891 -4.434 -4.291
158 HE1 MET 22 1HE MET 22 -7.799 -4.045 -8.040
159 HE2 MET 22 2HE MET 22 -9.002 -4.719 -6.940
160 HE3 MET 22 3HE MET 22 -7.358 -5.355 -6.944
161 H ILE 23 HN ILE 23 -9.435 -1.761 -4.840
162 HA ILE 23 HA ILE 23 -12.048 -2.561 -3.739
163 HB ILE 23 HB ILE 23 -11.675 -0.363 -5.813
164 HG12 ILE 23 2HG1 ILE 23 -12.496 -0.140 -2.899
165 HG13 ILE 23 1HG1 ILE 23 -10.913 0.288 -3.528
166 HG21 ILE 23 1HG2 ILE 23 -14.148 -1.359 -4.383
167 HG22 ILE 23 2HG2 ILE 23 -13.779 -1.577 -6.093
168 HG23 ILE 23 3HG2 ILE 23 -14.086 0.039 -5.454
169 HD11 ILE 23 1HD1 ILE 23 -11.939 2.048 -4.880
170 HD12 ILE 23 2HD1 ILE 23 -12.296 2.252 -3.164
171 HD13 ILE 23 3HD1 ILE 23 -13.523 1.598 -4.249
172 HN1 NH2 24 HN1 NH2 24 -11.890 -4.604 -4.464
173 HN2 NH2 24 HN2 NH2 24 -11.874 -5.040 -6.135
Start of MODEL 19
1 H1 ALA 1 1HT ALA 1 4.754 7.237 -1.552
2 H2 ALA 1 2HT ALA 1 3.806 6.301 -2.576
3 H3 ALA 1 3HT ALA 1 5.192 7.083 -3.193
4 HA ALA 1 HA ALA 1 5.555 4.734 -2.857
5 HB1 ALA 1 1HB ALA 1 7.515 4.891 -1.391
6 HB2 ALA 1 2HB ALA 1 6.971 6.471 -0.831
7 HB3 ALA 1 3HB ALA 1 7.446 6.248 -2.511
8 H CYS 2 HN CYS 2 5.906 3.062 -1.126
9 HA CYS 2 HA CYS 2 3.790 3.264 0.873
10 HB2 CYS 2 2HB CYS 2 5.403 0.865 -0.039
11 HB3 CYS 2 1HB CYS 2 3.976 0.839 0.989
12 H LYS 3 HN LYS 3 4.287 2.749 3.098
13 HA LYS 3 HA LYS 3 6.721 3.618 4.110
14 HB2 LYS 3 2HB LYS 3 5.994 2.574 6.261
15 HB3 LYS 3 1HB LYS 3 4.714 3.505 5.507
16 HG2 LYS 3 2HG LYS 3 3.839 1.308 4.589
17 HG3 LYS 3 1HG LYS 3 4.987 0.514 5.662
18 HD2 LYS 3 2HD LYS 3 2.764 2.386 6.509
19 HD3 LYS 3 1HD LYS 3 2.748 0.635 6.656
20 HE2 LYS 3 2HE LYS 3 4.620 2.533 8.083
21 HE3 LYS 3 1HE LYS 3 3.248 1.696 8.796
22 HZ1 LYS 3 1HZ LYS 3 4.448 -0.410 8.096
23 HZ2 LYS 3 2HZ LYS 3 5.073 0.442 9.395
24 HZ3 LYS 3 3HZ LYS 3 5.814 0.560 7.883
25 H GLU 4 HN GLU 4 5.601 0.395 3.341
26 HA GLU 4 HA GLU 4 8.061 -0.320 2.272
27 HB2 GLU 4 2HB GLU 4 8.518 -0.929 4.689
28 HB3 GLU 4 1HB GLU 4 7.100 -1.976 4.620
29 HG2 GLU 4 2HG GLU 4 9.193 -3.202 4.364
30 HG3 GLU 4 1HG GLU 4 8.132 -3.345 2.962
31 H TYR 5 HN TYR 5 7.735 -2.102 0.985
32 HA TYR 5 HA TYR 5 5.020 -2.169 0.021
33 HB2 TYR 5 2HB TYR 5 7.003 -2.067 -1.457
34 HB3 TYR 5 1HB TYR 5 7.440 -3.673 -0.932
35 HD1 TYR 5 1HD TYR 5 4.497 -1.916 -2.460
36 HD2 TYR 5 2HD TYR 5 6.841 -5.467 -2.266
37 HE1 TYR 5 1HE TYR 5 3.168 -2.893 -4.274
38 HE2 TYR 5 2HE TYR 5 5.513 -6.449 -4.063
39 HH TYR 5 HH TYR 5 3.441 -6.235 -5.171
40 H TRP 6 HN TRP 6 7.253 -4.485 1.230
41 HA TRP 6 HA TRP 6 5.499 -6.689 0.738
42 HB2 TRP 6 2HB TRP 6 7.163 -8.165 1.795
43 HB3 TRP 6 1HB TRP 6 7.814 -7.101 0.557
44 HD1 TRP 6 1HD TRP 6 7.645 -7.188 4.438
45 HE1 TRP 6 1HE TRP 6 9.844 -6.243 5.341
46 HE3 TRP 6 3HE TRP 6 9.857 -5.944 0.007
47 HZ2 TRP 6 2HZ TRP 6 12.232 -5.130 4.309
48 HZ3 TRP 6 3HZ TRP 6 12.102 -4.953 0.057
49 HH2 TRP 6 2HH TRP 6 13.259 -4.556 2.163
50 H GLU 7 HN GLU 7 5.937 -4.753 3.565
51 HA GLU 7 HA GLU 7 4.797 -6.608 5.338
52 HB2 GLU 7 2HB GLU 7 4.599 -4.747 6.835
53 HB3 GLU 7 1HB GLU 7 6.193 -4.767 6.100
54 HG2 GLU 7 2HG GLU 7 5.569 -2.980 4.620
55 HG3 GLU 7 1HG GLU 7 3.917 -3.071 5.169
56 H CYS 8 HN CYS 8 3.556 -4.349 3.103
57 HA CYS 8 HA CYS 8 0.932 -4.334 4.236
58 HB2 CYS 8 2HB CYS 8 1.988 -3.216 1.639
59 HB3 CYS 8 1HB CYS 8 0.405 -2.891 2.340
60 H GLY 9 HN GLY 9 2.627 -5.721 1.503
61 HA2 GLY 9 2HA GLY 9 1.796 -8.135 1.294
62 HA3 GLY 9 1HA GLY 9 0.265 -7.340 0.940
63 H ALA 10 HN ALA 10 0.100 -8.053 -1.110
64 HA ALA 10 HA ALA 10 2.207 -7.239 -2.972
65 HB1 ALA 10 1HB ALA 10 0.040 -9.317 -3.289
66 HB2 ALA 10 2HB ALA 10 1.743 -9.636 -2.956
67 HB3 ALA 10 3HB ALA 10 1.265 -8.910 -4.492
68 H PHE 11 HN PHE 11 1.789 -5.557 -4.142
69 HA PHE 11 HA PHE 11 0.849 -3.882 -5.211
70 HB2 PHE 11 2HB PHE 11 -1.174 -5.983 -5.952
71 HB3 PHE 11 1HB PHE 11 -1.145 -4.375 -6.666
72 HD1 PHE 11 1HD PHE 11 0.767 -3.692 -8.066
73 HD2 PHE 11 2HD PHE 11 0.365 -7.670 -6.609
74 HE1 PHE 11 1HE PHE 11 2.403 -4.467 -9.729
75 HE2 PHE 11 2HE PHE 11 2.002 -8.446 -8.266
76 HZ PHE 11 HZ PHE 11 3.026 -6.841 -9.828
77 H LEU 12 HN LEU 12 0.544 -2.668 -3.389
78 HA LEU 12 HA LEU 12 -2.286 -2.083 -2.912
79 HB2 LEU 12 2HB LEU 12 0.039 -1.841 -0.969
80 HB3 LEU 12 1HB LEU 12 -1.492 -1.048 -0.726
81 HG LEU 12 HG LEU 12 -1.416 -2.909 0.705
82 HD11 LEU 12 1HD1 LEU 12 -3.165 -3.617 -1.624
83 HD12 LEU 12 2HD1 LEU 12 -3.561 -2.544 -0.284
84 HD13 LEU 12 3HD1 LEU 12 -3.307 -4.266 0.010
85 HD21 LEU 12 1HD2 LEU 12 0.340 -4.209 -0.343
86 HD22 LEU 12 2HD2 LEU 12 -0.739 -4.631 -1.673
87 HD23 LEU 12 3HD2 LEU 12 -1.073 -5.221 -0.046
88 H PHE 13 HN PHE 13 -2.793 -0.031 -3.465
89 HA PHE 13 HA PHE 13 -0.608 1.597 -4.372
90 HB2 PHE 13 2HB PHE 13 -3.604 2.021 -4.500
91 HB3 PHE 13 1HB PHE 13 -2.422 3.166 -5.135
92 HD1 PHE 13 1HD PHE 13 -4.216 0.087 -5.751
93 HD2 PHE 13 2HD PHE 13 -0.911 2.464 -6.996
94 HE1 PHE 13 1HE PHE 13 -4.111 -1.171 -7.847
95 HE2 PHE 13 2HE PHE 13 -0.802 1.206 -9.103
96 HZ PHE 13 HZ PHE 13 -2.409 -0.620 -9.531
97 H CYS 14 HN CYS 14 0.348 2.995 -3.187
98 HA CYS 14 HA CYS 14 -0.754 3.410 -0.529
99 HB2 CYS 14 2HB CYS 14 2.069 3.692 -1.534
100 HB3 CYS 14 1HB CYS 14 1.539 3.811 0.145
101 H ILE 15 HN ILE 15 -0.799 5.406 0.452
102 HA ILE 15 HA ILE 15 -0.269 7.747 -1.138
103 HB ILE 15 HB ILE 15 -2.903 7.257 0.323
104 HG12 ILE 15 2HG1 ILE 15 -2.454 7.489 -2.672
105 HG13 ILE 15 1HG1 ILE 15 -2.788 5.986 -1.825
106 HG21 ILE 15 1HG2 ILE 15 -1.951 9.586 -1.345
107 HG22 ILE 15 2HG2 ILE 15 -2.179 9.571 0.405
108 HG23 ILE 15 3HG2 ILE 15 -3.570 9.417 -0.669
109 HD11 ILE 15 1HD1 ILE 15 -4.983 6.838 -1.180
110 HD12 ILE 15 2HD1 ILE 15 -4.776 6.864 -2.932
111 HD13 ILE 15 3HD1 ILE 15 -4.637 8.357 -2.003
112 H GLU 16 HN GLU 16 0.924 8.910 0.132
113 HA GLU 16 HA GLU 16 1.835 9.990 1.818
114 HB2 GLU 16 2HB GLU 16 -0.623 10.362 2.413
115 HB3 GLU 16 1HB GLU 16 -0.408 9.039 3.562
116 HG2 GLU 16 2HG GLU 16 1.416 10.230 4.556
117 HG3 GLU 16 1HG GLU 16 1.112 11.564 3.445
118 H GLY 17 HN GLY 17 2.114 7.135 1.253
119 HA2 GLY 17 2HA GLY 17 3.825 5.687 2.010
120 HA3 GLY 17 1HA GLY 17 3.755 6.480 3.582
121 H ILE 18 HN ILE 18 0.710 6.148 3.204
122 HA ILE 18 HA ILE 18 0.569 3.698 4.720
123 HB ILE 18 HB ILE 18 -1.617 5.605 3.811
124 HG12 ILE 18 2HG1 ILE 18 -0.265 5.379 6.513
125 HG13 ILE 18 1HG1 ILE 18 0.034 6.652 5.337
126 HG21 ILE 18 1HG2 ILE 18 -1.713 3.377 5.851
127 HG22 ILE 18 2HG2 ILE 18 -2.511 3.385 4.279
128 HG23 ILE 18 3HG2 ILE 18 -3.017 4.522 5.527
129 HD11 ILE 18 1HD1 ILE 18 -1.435 7.411 7.116
130 HD12 ILE 18 2HD1 ILE 18 -2.572 6.113 6.753
131 HD13 ILE 18 3HD1 ILE 18 -2.288 7.393 5.573
132 H CYS 19 HN CYS 19 -0.052 1.785 3.864
133 HA CYS 19 HA CYS 19 -0.423 1.630 1.020
134 HB2 CYS 19 2HB CYS 19 -0.545 -0.568 3.116
135 HB3 CYS 19 1HB CYS 19 -0.370 -0.773 1.382
136 H VAL 20 HN VAL 20 -2.381 2.085 0.218
137 HA VAL 20 HA VAL 20 -4.686 1.695 1.946
138 HB VAL 20 HB VAL 20 -4.449 3.354 -0.580
139 HG11 VAL 20 1HG1 VAL 20 -6.624 3.255 1.507
140 HG12 VAL 20 2HG1 VAL 20 -6.725 2.627 -0.136
141 HG13 VAL 20 3HG1 VAL 20 -6.563 4.364 0.136
142 HG21 VAL 20 1HG2 VAL 20 -4.426 5.313 0.900
143 HG22 VAL 20 2HG2 VAL 20 -3.033 4.268 1.188
144 HG23 VAL 20 3HG2 VAL 20 -4.398 4.248 2.306
145 HA PRO 21 HA PRO 21 -5.588 -1.556 -0.997
146 HB2 PRO 21 2HB PRO 21 -7.322 -2.914 0.561
147 HB3 PRO 21 1HB PRO 21 -5.574 -3.051 0.767
148 HG2 PRO 21 2HG PRO 21 -7.558 -1.560 2.393
149 HG3 PRO 21 1HG PRO 21 -6.060 -2.349 2.895
150 HD2 PRO 21 2HD PRO 21 -6.398 0.392 2.451
151 HD3 PRO 21 1HD PRO 21 -4.849 -0.462 2.562
152 H MET 22 HN MET 22 -7.493 -2.127 -2.150
153 HA MET 22 HA MET 22 -9.305 -0.119 -2.661
154 HB2 MET 22 2HB MET 22 -8.706 -1.977 -4.211
155 HB3 MET 22 1HB MET 22 -9.592 -3.066 -3.138
156 HG2 MET 22 2HG MET 22 -11.662 -2.006 -3.683
157 HG3 MET 22 1HG MET 22 -10.829 -0.792 -4.654
158 HE1 MET 22 1HE MET 22 -11.098 -5.274 -5.780
159 HE2 MET 22 2HE MET 22 -11.803 -4.582 -4.320
160 HE3 MET 22 3HE MET 22 -10.051 -4.683 -4.491
161 H ILE 23 HN ILE 23 -11.634 -0.219 -2.250
162 HA ILE 23 HA ILE 23 -12.138 -1.086 0.486
163 HB ILE 23 HB ILE 23 -13.900 0.628 -1.325
164 HG12 ILE 23 2HG1 ILE 23 -12.100 1.435 0.975
165 HG13 ILE 23 1HG1 ILE 23 -11.747 1.697 -0.728
166 HG21 ILE 23 1HG2 ILE 23 -15.190 -0.559 0.397
167 HG22 ILE 23 2HG2 ILE 23 -15.146 1.177 0.706
168 HG23 ILE 23 3HG2 ILE 23 -14.120 0.090 1.642
169 HD11 ILE 23 1HD1 ILE 23 -13.687 3.181 -0.892
170 HD12 ILE 23 2HD1 ILE 23 -12.545 3.730 0.336
171 HD13 ILE 23 3HD1 ILE 23 -14.031 2.911 0.816
172 HN1 NH2 24 HN1 NH2 24 -12.386 -3.226 0.321
173 HN2 NH2 24 HN2 NH2 24 -13.629 -4.017 -0.586
Start of MODEL 20
1 H1 ALA 1 1HT ALA 1 4.930 5.049 -5.377
2 H2 ALA 1 2HT ALA 1 3.734 5.667 -4.398
3 H3 ALA 1 3HT ALA 1 3.321 4.980 -5.889
4 HA ALA 1 HA ALA 1 2.813 3.488 -4.055
5 HB1 ALA 1 1HB ALA 1 3.546 2.501 -6.175
6 HB2 ALA 1 2HB ALA 1 4.093 1.541 -4.801
7 HB3 ALA 1 3HB ALA 1 5.221 2.604 -5.641
8 H CYS 2 HN CYS 2 3.551 2.322 -2.202
9 HA CYS 2 HA CYS 2 5.555 3.754 -0.735
10 HB2 CYS 2 2HB CYS 2 3.754 1.443 0.011
11 HB3 CYS 2 1HB CYS 2 4.862 2.240 1.123
12 H LYS 3 HN LYS 3 7.427 2.849 0.182
13 HA LYS 3 HA LYS 3 8.677 0.943 -1.573
14 HB2 LYS 3 2HB LYS 3 9.897 2.939 -0.753
15 HB3 LYS 3 1HB LYS 3 9.798 2.302 0.880
16 HG2 LYS 3 2HG LYS 3 11.158 0.384 0.239
17 HG3 LYS 3 1HG LYS 3 11.232 0.978 -1.419
18 HD2 LYS 3 2HD LYS 3 12.390 2.992 -0.643
19 HD3 LYS 3 1HD LYS 3 12.307 2.404 1.015
20 HE2 LYS 3 2HE LYS 3 14.506 1.953 0.104
21 HE3 LYS 3 1HE LYS 3 13.643 0.440 0.367
22 HZ1 LYS 3 1HZ LYS 3 14.791 0.429 -1.750
23 HZ2 LYS 3 2HZ LYS 3 13.988 1.815 -2.249
24 HZ3 LYS 3 3HZ LYS 3 13.133 0.388 -2.026
25 H GLU 4 HN GLU 4 7.445 0.949 1.716
26 HA GLU 4 HA GLU 4 8.595 -1.562 2.395
27 HB2 GLU 4 2HB GLU 4 6.294 -0.144 3.625
28 HB3 GLU 4 1HB GLU 4 7.008 -1.657 4.165
29 HG2 GLU 4 2HG GLU 4 7.764 0.236 5.568
30 HG3 GLU 4 1HG GLU 4 9.084 -0.563 4.730
31 H TYR 5 HN TYR 5 8.010 -2.580 0.664
32 HA TYR 5 HA TYR 5 5.349 -3.429 -0.043
33 HB2 TYR 5 2HB TYR 5 7.292 -3.466 -1.613
34 HB3 TYR 5 1HB TYR 5 7.986 -4.763 -0.674
35 HD1 TYR 5 1HD TYR 5 7.323 -7.007 -0.989
36 HD2 TYR 5 2HD TYR 5 5.150 -3.901 -2.897
37 HE1 TYR 5 1HE TYR 5 6.172 -8.673 -2.344
38 HE2 TYR 5 2HE TYR 5 3.982 -5.564 -4.276
39 HH TYR 5 HH TYR 5 4.134 -8.929 -3.643
40 H TRP 6 HN TRP 6 7.983 -4.753 1.675
41 HA TRP 6 HA TRP 6 6.982 -7.283 2.387
42 HB2 TRP 6 2HB TRP 6 8.757 -7.254 4.158
43 HB3 TRP 6 1HB TRP 6 9.349 -6.800 2.569
44 HD1 TRP 6 1HD TRP 6 8.661 -5.322 6.032
45 HE1 TRP 6 1HE TRP 6 9.839 -3.042 6.224
46 HE3 TRP 6 3HE TRP 6 10.266 -4.848 1.204
47 HZ2 TRP 6 2HZ TRP 6 11.282 -1.282 4.533
48 HZ3 TRP 6 3HZ TRP 6 11.537 -2.842 0.585
49 HH2 TRP 6 2HH TRP 6 12.033 -1.103 2.218
50 H GLU 7 HN GLU 7 6.545 -4.179 3.858
51 HA GLU 7 HA GLU 7 5.512 -5.250 6.306
52 HB2 GLU 7 2HB GLU 7 6.836 -3.143 6.207
53 HB3 GLU 7 1HB GLU 7 5.497 -2.406 5.338
54 HG2 GLU 7 2HG GLU 7 4.055 -2.690 7.238
55 HG3 GLU 7 1HG GLU 7 5.332 -3.528 8.114
56 H CYS 8 HN CYS 8 4.221 -3.495 3.621
57 HA CYS 8 HA CYS 8 1.568 -3.583 4.612
58 HB2 CYS 8 2HB CYS 8 2.602 -2.871 1.879
59 HB3 CYS 8 1HB CYS 8 0.978 -2.565 2.484
60 H GLY 9 HN GLY 9 3.320 -5.385 2.143
61 HA2 GLY 9 2HA GLY 9 2.677 -7.768 2.039
62 HA3 GLY 9 1HA GLY 9 1.011 -7.200 1.988
63 H ALA 10 HN ALA 10 1.156 -8.594 0.010
64 HA ALA 10 HA ALA 10 2.623 -7.660 -2.217
65 HB1 ALA 10 1HB ALA 10 1.451 -9.352 -3.492
66 HB2 ALA 10 2HB ALA 10 0.298 -9.573 -2.176
67 HB3 ALA 10 3HB ALA 10 1.990 -10.016 -1.947
68 H PHE 11 HN PHE 11 2.171 -5.630 -2.594
69 HA PHE 11 HA PHE 11 1.344 -3.876 -3.648
70 HB2 PHE 11 2HB PHE 11 -0.297 -5.906 -5.136
71 HB3 PHE 11 1HB PHE 11 -0.157 -4.212 -5.601
72 HD1 PHE 11 1HD PHE 11 1.242 -7.448 -5.936
73 HD2 PHE 11 2HD PHE 11 2.228 -3.314 -5.950
74 HE1 PHE 11 1HE PHE 11 3.328 -7.953 -7.129
75 HE2 PHE 11 2HE PHE 11 4.309 -3.807 -7.143
76 HZ PHE 11 HZ PHE 11 4.866 -6.132 -7.740
77 H LEU 12 HN LEU 12 0.576 -2.907 -1.921
78 HA LEU 12 HA LEU 12 -2.341 -2.675 -1.792
79 HB2 LEU 12 2HB LEU 12 -0.208 -2.156 0.286
80 HB3 LEU 12 1HB LEU 12 -1.797 -1.436 0.403
81 HG LEU 12 HG LEU 12 -1.610 -3.315 1.891
82 HD11 LEU 12 1HD1 LEU 12 -3.781 -2.904 0.937
83 HD12 LEU 12 2HD1 LEU 12 -3.536 -4.629 1.208
84 HD13 LEU 12 3HD1 LEU 12 -3.410 -3.969 -0.422
85 HD21 LEU 12 1HD2 LEU 12 -1.326 -5.618 1.079
86 HD22 LEU 12 2HD2 LEU 12 0.097 -4.624 0.763
87 HD23 LEU 12 3HD2 LEU 12 -1.026 -4.997 -0.545
88 H PHE 13 HN PHE 13 -3.075 -0.431 -1.568
89 HA PHE 13 HA PHE 13 -1.264 1.312 -3.034
90 HB2 PHE 13 2HB PHE 13 -4.278 1.296 -2.784
91 HB3 PHE 13 1HB PHE 13 -3.396 2.619 -3.540
92 HD1 PHE 13 1HD PHE 13 -4.196 -0.985 -3.807
93 HD2 PHE 13 2HD PHE 13 -2.516 2.414 -5.742
94 HE1 PHE 13 1HE PHE 13 -4.143 -2.224 -5.933
95 HE2 PHE 13 2HE PHE 13 -2.464 1.185 -7.865
96 HZ PHE 13 HZ PHE 13 -3.274 -1.137 -7.967
97 H CYS 14 HN CYS 14 -1.584 3.745 -2.371
98 HA CYS 14 HA CYS 14 -1.443 3.619 0.554
99 HB2 CYS 14 2HB CYS 14 0.445 5.119 -1.223
100 HB3 CYS 14 1HB CYS 14 0.491 5.057 0.528
101 H ILE 15 HN ILE 15 -2.270 5.156 1.663
102 HA ILE 15 HA ILE 15 -2.990 7.696 0.411
103 HB ILE 15 HB ILE 15 -4.548 6.244 2.554
104 HG12 ILE 15 2HG1 ILE 15 -5.325 6.839 -0.317
105 HG13 ILE 15 1HG1 ILE 15 -4.953 5.253 0.344
106 HG21 ILE 15 1HG2 ILE 15 -6.183 8.110 2.370
107 HG22 ILE 15 2HG2 ILE 15 -5.099 8.909 1.230
108 HG23 ILE 15 3HG2 ILE 15 -4.590 8.658 2.900
109 HD11 ILE 15 1HD1 ILE 15 -6.930 5.398 1.781
110 HD12 ILE 15 2HD1 ILE 15 -7.347 5.557 0.073
111 HD13 ILE 15 3HD1 ILE 15 -7.295 6.985 1.107
112 H GLU 16 HN GLU 16 -1.532 8.909 1.169
113 HA GLU 16 HA GLU 16 -0.179 10.109 2.401
114 HB2 GLU 16 2HB GLU 16 -2.348 10.320 3.743
115 HB3 GLU 16 1HB GLU 16 -1.609 9.147 4.836
116 HG2 GLU 16 2HG GLU 16 0.251 10.559 5.163
117 HG3 GLU 16 1HG GLU 16 -0.398 11.713 4.010
118 H GLY 17 HN GLY 17 0.222 7.290 1.900
119 HA2 GLY 17 2HA GLY 17 2.283 6.109 2.152
120 HA3 GLY 17 1HA GLY 17 2.495 6.888 3.715
121 H ILE 18 HN ILE 18 -0.565 6.068 3.864
122 HA ILE 18 HA ILE 18 -0.006 3.611 5.296
123 HB ILE 18 HB ILE 18 -2.560 5.222 4.969
124 HG12 ILE 18 2HG1 ILE 18 -0.882 6.386 6.307
125 HG13 ILE 18 1HG1 ILE 18 -2.223 5.872 7.319
126 HG21 ILE 18 1HG2 ILE 18 -3.099 2.870 5.337
127 HG22 ILE 18 2HG2 ILE 18 -3.534 3.850 6.737
128 HG23 ILE 18 3HG2 ILE 18 -2.078 2.858 6.778
129 HD11 ILE 18 1HD1 ILE 18 -0.101 5.537 8.446
130 HD12 ILE 18 2HD1 ILE 18 0.470 4.529 7.122
131 HD13 ILE 18 3HD1 ILE 18 -0.876 3.985 8.125
132 H CYS 19 HN CYS 19 -0.316 1.681 4.444
133 HA CYS 19 HA CYS 19 -1.190 1.478 1.721
134 HB2 CYS 19 2HB CYS 19 -0.281 -0.650 3.668
135 HB3 CYS 19 1HB CYS 19 -0.531 -0.872 1.948
136 H VAL 20 HN VAL 20 -3.166 1.088 1.129
137 HA VAL 20 HA VAL 20 -5.021 -0.420 2.829
138 HB VAL 20 HB VAL 20 -6.835 1.173 2.278
139 HG11 VAL 20 1HG1 VAL 20 -5.694 1.513 4.387
140 HG12 VAL 20 2HG1 VAL 20 -6.181 3.057 3.686
141 HG13 VAL 20 3HG1 VAL 20 -4.499 2.537 3.589
142 HG21 VAL 20 1HG2 VAL 20 -4.666 2.872 1.046
143 HG22 VAL 20 2HG2 VAL 20 -6.346 3.360 1.282
144 HG23 VAL 20 3HG2 VAL 20 -5.956 2.041 0.178
145 HA PRO 21 HA PRO 21 -6.159 -2.157 -1.188
146 HB2 PRO 21 2HB PRO 21 -8.895 -2.413 -0.821
147 HB3 PRO 21 1HB PRO 21 -7.715 -3.605 -0.261
148 HG2 PRO 21 2HG PRO 21 -9.139 -1.471 1.249
149 HG3 PRO 21 1HG PRO 21 -8.674 -3.097 1.768
150 HD2 PRO 21 2HD PRO 21 -7.321 -0.874 2.522
151 HD3 PRO 21 1HD PRO 21 -6.538 -2.450 2.314
152 H MET 22 HN MET 22 -6.770 -1.185 -3.134
153 HA MET 22 HA MET 22 -7.117 1.555 -3.024
154 HB2 MET 22 2HB MET 22 -5.942 0.545 -4.853
155 HB3 MET 22 1HB MET 22 -7.452 -0.213 -5.409
156 HG2 MET 22 2HG MET 22 -8.363 1.972 -5.929
157 HG3 MET 22 1HG MET 22 -6.923 2.754 -5.288
158 HE1 MET 22 1HE MET 22 -7.064 -0.525 -7.516
159 HE2 MET 22 2HE MET 22 -6.968 0.179 -9.130
160 HE3 MET 22 3HE MET 22 -8.386 0.470 -8.125
161 H ILE 23 HN ILE 23 -8.650 2.787 -3.381
162 HA ILE 23 HA ILE 23 -11.393 1.802 -3.060
163 HB ILE 23 HB ILE 23 -10.334 4.641 -2.778
164 HG12 ILE 23 2HG1 ILE 23 -11.000 2.624 -0.616
165 HG13 ILE 23 1HG1 ILE 23 -9.372 3.071 -1.108
166 HG21 ILE 23 1HG2 ILE 23 -12.980 3.428 -1.958
167 HG22 ILE 23 2HG2 ILE 23 -12.724 4.558 -3.288
168 HG23 ILE 23 3HG2 ILE 23 -12.464 5.081 -1.625
169 HD11 ILE 23 1HD1 ILE 23 -11.415 4.898 0.138
170 HD12 ILE 23 2HD1 ILE 23 -9.783 5.360 -0.350
171 HD13 ILE 23 3HD1 ILE 23 -10.018 4.189 0.947
172 HN1 NH2 24 HN1 NH2 24 -12.128 1.344 -5.050
173 HN2 NH2 24 HN2 NH2 24 -12.074 2.405 -6.411
Start of MODEL 21
1 H1 ALA 1 1HT ALA 1 4.527 6.831 -3.012
2 H2 ALA 1 2HT ALA 1 4.130 6.455 -4.611
3 H3 ALA 1 3HT ALA 1 5.714 6.250 -4.049
4 HA ALA 1 HA ALA 1 3.382 4.771 -3.045
5 HB1 ALA 1 1HB ALA 1 5.635 3.795 -4.807
6 HB2 ALA 1 2HB ALA 1 4.025 4.211 -5.378
7 HB3 ALA 1 3HB ALA 1 4.233 2.873 -4.255
8 H CYS 2 HN CYS 2 4.124 2.918 -1.676
9 HA CYS 2 HA CYS 2 5.939 3.874 0.301
10 HB2 CYS 2 2HB CYS 2 4.595 1.182 -0.018
11 HB3 CYS 2 1HB CYS 2 5.483 1.698 1.406
12 H LYS 3 HN LYS 3 7.961 3.118 0.811
13 HA LYS 3 HA LYS 3 9.418 1.768 -1.272
14 HB2 LYS 3 2HB LYS 3 10.284 2.496 1.550
15 HB3 LYS 3 1HB LYS 3 11.340 1.835 0.324
16 HG2 LYS 3 2HG LYS 3 11.820 4.131 0.416
17 HG3 LYS 3 1HG LYS 3 10.844 3.915 -1.030
18 HD2 LYS 3 2HD LYS 3 8.883 4.743 0.115
19 HD3 LYS 3 1HD LYS 3 9.777 4.838 1.634
20 HE2 LYS 3 2HE LYS 3 11.264 6.511 0.647
21 HE3 LYS 3 1HE LYS 3 10.370 6.411 -0.870
22 HZ1 LYS 3 1HZ LYS 3 9.707 8.294 0.500
23 HZ2 LYS 3 2HZ LYS 3 9.242 7.249 1.731
24 HZ3 LYS 3 3HZ LYS 3 8.430 7.224 0.232
25 H GLU 4 HN GLU 4 8.224 1.163 1.954
26 HA GLU 4 HA GLU 4 8.893 -1.645 1.770
27 HB2 GLU 4 2HB GLU 4 7.316 -0.231 3.874
28 HB3 GLU 4 1HB GLU 4 7.901 -1.884 3.892
29 HG2 GLU 4 2HG GLU 4 9.273 -0.537 5.393
30 HG3 GLU 4 1HG GLU 4 10.228 -1.058 4.013
31 H TYR 5 HN TYR 5 7.662 -2.166 0.177
32 HA TYR 5 HA TYR 5 4.767 -1.752 0.178
33 HB2 TYR 5 2HB TYR 5 6.250 -1.810 -1.892
34 HB3 TYR 5 1HB TYR 5 6.298 -3.542 -1.670
35 HD1 TYR 5 1HD TYR 5 4.861 -4.764 -2.986
36 HD2 TYR 5 2HD TYR 5 3.639 -0.929 -1.663
37 HE1 TYR 5 1HE TYR 5 2.734 -5.030 -4.181
38 HE2 TYR 5 2HE TYR 5 1.520 -1.178 -2.847
39 HH TYR 5 HH TYR 5 0.656 -2.451 -4.768
40 H TRP 6 HN TRP 6 7.104 -4.098 0.814
41 HA TRP 6 HA TRP 6 5.524 -6.388 1.198
42 HB2 TRP 6 2HB TRP 6 7.325 -7.304 2.556
43 HB3 TRP 6 1HB TRP 6 8.037 -6.423 1.214
44 HD1 TRP 6 1HD TRP 6 9.387 -4.145 1.842
45 HE1 TRP 6 1HE TRP 6 10.409 -3.323 4.067
46 HE3 TRP 6 3HE TRP 6 7.018 -7.322 5.067
47 HZ2 TRP 6 2HZ TRP 6 10.229 -3.929 6.791
48 HZ3 TRP 6 3HZ TRP 6 7.506 -7.136 7.466
49 HH2 TRP 6 2HH TRP 6 9.079 -5.476 8.305
50 H GLU 7 HN GLU 7 5.911 -3.544 3.092
51 HA GLU 7 HA GLU 7 4.862 -4.527 5.543
52 HB2 GLU 7 2HB GLU 7 6.250 -2.502 5.417
53 HB3 GLU 7 1HB GLU 7 5.014 -1.712 4.452
54 HG2 GLU 7 2HG GLU 7 4.921 -0.925 6.721
55 HG3 GLU 7 1HG GLU 7 3.472 -1.854 6.345
56 H CYS 8 HN CYS 8 3.572 -3.191 2.668
57 HA CYS 8 HA CYS 8 0.934 -2.806 3.659
58 HB2 CYS 8 2HB CYS 8 1.916 -3.034 0.819
59 HB3 CYS 8 1HB CYS 8 0.382 -2.371 1.372
60 H GLY 9 HN GLY 9 2.617 -5.192 1.731
61 HA2 GLY 9 2HA GLY 9 2.027 -7.544 2.126
62 HA3 GLY 9 1HA GLY 9 0.344 -7.021 2.148
63 H ALA 10 HN ALA 10 -0.297 -8.281 0.424
64 HA ALA 10 HA ALA 10 1.120 -7.934 -2.089
65 HB1 ALA 10 1HB ALA 10 0.608 -10.221 -1.396
66 HB2 ALA 10 2HB ALA 10 -0.210 -9.804 -2.903
67 HB3 ALA 10 3HB ALA 10 -1.112 -9.831 -1.387
68 H PHE 11 HN PHE 11 0.559 -6.162 -3.050
69 HA PHE 11 HA PHE 11 -0.519 -4.704 -4.264
70 HB2 PHE 11 2HB PHE 11 -2.621 -6.852 -4.461
71 HB3 PHE 11 1HB PHE 11 -2.685 -5.346 -5.373
72 HD1 PHE 11 1HD PHE 11 -1.059 -4.881 -7.127
73 HD2 PHE 11 2HD PHE 11 -1.029 -8.582 -5.025
74 HE1 PHE 11 1HE PHE 11 0.402 -5.849 -8.850
75 HE2 PHE 11 2HE PHE 11 0.432 -9.552 -6.745
76 HZ PHE 11 HZ PHE 11 1.150 -8.187 -8.660
77 H LEU 12 HN LEU 12 -0.569 -3.181 -2.848
78 HA LEU 12 HA LEU 12 -3.200 -2.396 -1.835
79 HB2 LEU 12 2HB LEU 12 -0.631 -2.381 -0.281
80 HB3 LEU 12 1HB LEU 12 -1.954 -1.324 0.142
81 HG LEU 12 HG LEU 12 -2.009 -3.106 1.657
82 HD11 LEU 12 1HD1 LEU 12 -4.135 -4.218 1.223
83 HD12 LEU 12 2HD1 LEU 12 -4.087 -3.636 -0.434
84 HD13 LEU 12 3HD1 LEU 12 -4.180 -2.486 0.903
85 HD21 LEU 12 1HD2 LEU 12 -2.088 -5.475 1.038
86 HD22 LEU 12 2HD2 LEU 12 -0.598 -4.709 0.494
87 HD23 LEU 12 3HD2 LEU 12 -1.893 -5.034 -0.659
88 H PHE 13 HN PHE 13 -3.266 -0.055 -1.384
89 HA PHE 13 HA PHE 13 -1.465 1.392 -3.183
90 HB2 PHE 13 2HB PHE 13 -3.927 1.408 -3.719
91 HB3 PHE 13 1HB PHE 13 -4.214 2.178 -2.166
92 HD1 PHE 13 1HD PHE 13 -2.428 2.604 -5.386
93 HD2 PHE 13 2HD PHE 13 -4.125 4.504 -1.976
94 HE1 PHE 13 1HE PHE 13 -2.089 4.793 -6.439
95 HE2 PHE 13 2HE PHE 13 -3.783 6.693 -3.027
96 HZ PHE 13 HZ PHE 13 -2.761 6.835 -5.263
97 H CYS 14 HN CYS 14 -0.731 3.522 -2.335
98 HA CYS 14 HA CYS 14 -0.689 3.455 0.593
99 HB2 CYS 14 2HB CYS 14 1.462 4.372 -1.279
100 HB3 CYS 14 1HB CYS 14 1.487 4.598 0.457
101 H ILE 15 HN ILE 15 -1.097 5.204 1.642
102 HA ILE 15 HA ILE 15 -1.078 7.728 0.292
103 HB ILE 15 HB ILE 15 -3.392 7.149 0.086
104 HG12 ILE 15 2HG1 ILE 15 -3.085 9.103 2.376
105 HG13 ILE 15 1HG1 ILE 15 -2.891 9.487 0.670
106 HG21 ILE 15 1HG2 ILE 15 -3.605 5.410 1.759
107 HG22 ILE 15 2HG2 ILE 15 -4.861 6.623 2.006
108 HG23 ILE 15 3HG2 ILE 15 -3.443 6.598 3.053
109 HD11 ILE 15 1HD1 ILE 15 -5.256 8.967 0.301
110 HD12 ILE 15 2HD1 ILE 15 -5.040 10.233 1.509
111 HD13 ILE 15 3HD1 ILE 15 -5.434 8.590 2.015
112 H GLU 16 HN GLU 16 0.305 8.757 1.297
113 HA GLU 16 HA GLU 16 1.584 9.762 2.816
114 HB2 GLU 16 2HB GLU 16 -0.802 9.252 4.490
115 HB3 GLU 16 1HB GLU 16 0.514 10.368 4.939
116 HG2 GLU 16 2HG GLU 16 -1.460 10.601 2.659
117 HG3 GLU 16 1HG GLU 16 -1.318 11.669 4.055
118 H GLY 17 HN GLY 17 1.651 6.894 2.558
119 HA2 GLY 17 2HA GLY 17 3.381 5.488 3.419
120 HA3 GLY 17 1HA GLY 17 3.237 6.327 4.958
121 H ILE 18 HN ILE 18 0.189 5.930 4.275
122 HA ILE 18 HA ILE 18 -0.043 3.513 5.848
123 HB ILE 18 HB ILE 18 -2.225 5.345 4.793
124 HG12 ILE 18 2HG1 ILE 18 -0.943 5.331 7.537
125 HG13 ILE 18 1HG1 ILE 18 -0.630 6.535 6.292
126 HG21 ILE 18 1HG2 ILE 18 -3.618 4.315 6.541
127 HG22 ILE 18 2HG2 ILE 18 -2.273 3.268 6.991
128 HG23 ILE 18 3HG2 ILE 18 -3.017 3.107 5.401
129 HD11 ILE 18 1HD1 ILE 18 -2.180 7.371 7.958
130 HD12 ILE 18 2HD1 ILE 18 -3.271 6.021 7.647
131 HD13 ILE 18 3HD1 ILE 18 -2.976 7.226 6.391
132 H CYS 19 HN CYS 19 -0.485 1.612 4.930
133 HA CYS 19 HA CYS 19 -0.973 1.480 2.085
134 HB2 CYS 19 2HB CYS 19 -0.817 -0.834 4.032
135 HB3 CYS 19 1HB CYS 19 -0.584 -0.836 2.304
136 H VAL 20 HN VAL 20 -2.983 1.496 1.336
137 HA VAL 20 HA VAL 20 -5.096 0.474 3.062
138 HB VAL 20 HB VAL 20 -6.675 2.096 2.012
139 HG11 VAL 20 1HG1 VAL 20 -5.712 2.606 4.176
140 HG12 VAL 20 2HG1 VAL 20 -5.903 4.085 3.232
141 HG13 VAL 20 3HG1 VAL 20 -4.311 3.344 3.401
142 HG21 VAL 20 1HG2 VAL 20 -4.174 3.308 0.815
143 HG22 VAL 20 2HG2 VAL 20 -5.775 4.047 0.791
144 HG23 VAL 20 3HG2 VAL 20 -5.487 2.538 -0.076
145 HA PRO 21 HA PRO 21 -6.021 -2.206 -0.393
146 HB2 PRO 21 2HB PRO 21 -8.738 -2.405 0.684
147 HB3 PRO 21 1HB PRO 21 -7.511 -3.664 0.530
148 HG2 PRO 21 2HG PRO 21 -8.273 -2.650 2.920
149 HG3 PRO 21 1HG PRO 21 -6.637 -3.248 2.602
150 HD2 PRO 21 2HD PRO 21 -7.632 -0.441 2.752
151 HD3 PRO 21 1HD PRO 21 -6.094 -1.152 3.282
152 H MET 22 HN MET 22 -6.353 -1.276 -2.329
153 HA MET 22 HA MET 22 -8.412 0.656 -2.579
154 HB2 MET 22 2HB MET 22 -6.126 1.191 -3.362
155 HB3 MET 22 1HB MET 22 -6.263 -0.160 -4.493
156 HG2 MET 22 2HG MET 22 -8.025 0.982 -5.677
157 HG3 MET 22 1HG MET 22 -7.935 2.330 -4.543
158 HE1 MET 22 1HE MET 22 -6.432 3.874 -7.791
159 HE2 MET 22 2HE MET 22 -7.642 4.036 -6.517
160 HE3 MET 22 3HE MET 22 -7.756 2.714 -7.677
161 H ILE 23 HN ILE 23 -9.829 0.425 -4.468
162 HA ILE 23 HA ILE 23 -10.066 -2.340 -5.340
163 HB ILE 23 HB ILE 23 -11.923 -1.832 -3.886
164 HG12 ILE 23 2HG1 ILE 23 -12.874 -1.942 -6.761
165 HG13 ILE 23 1HG1 ILE 23 -12.348 -3.321 -5.806
166 HG21 ILE 23 1HG2 ILE 23 -12.643 0.453 -5.710
167 HG22 ILE 23 2HG2 ILE 23 -12.038 0.580 -4.064
168 HG23 ILE 23 3HG2 ILE 23 -13.627 -0.128 -4.366
169 HD11 ILE 23 1HD1 ILE 23 -14.771 -3.210 -5.957
170 HD12 ILE 23 2HD1 ILE 23 -14.753 -1.596 -5.245
171 HD13 ILE 23 3HD1 ILE 23 -14.236 -2.986 -4.292
172 HN1 NH2 24 HN1 NH2 24 -8.986 -2.252 -7.151
173 HN2 NH2 24 HN2 NH2 24 -9.365 -1.235 -8.496