Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
625474 | 6cei RC | 30406 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 HT1 CYS 1 -7.106 5.630 6.631
2 H2 CYS 1 HT2 CYS 1 -5.654 6.367 7.087
3 H3 CYS 1 HT3 CYS 1 -6.085 4.858 7.747
4 HA CYS 1 HA CYS 1 -5.470 5.440 4.931
5 HB2 CYS 1 HB2 CYS 1 -3.532 3.900 5.395
6 HB3 CYS 1 HB1 CYS 1 -3.441 5.438 6.236
7 H ALA 2 H ALA 2 -5.267 3.431 3.645
8 HA ALA 2 HA ALA 2 -7.393 1.567 4.291
9 HB1 ALA 2 HB1 ALA 2 -7.066 0.775 1.995
10 HB2 ALA 2 HB2 ALA 2 -5.685 1.861 1.818
11 HB3 ALA 2 HB3 ALA 2 -7.307 2.518 2.053
12 H VAL 3 H VAL 3 -7.083 -0.612 4.515
13 HA VAL 3 HA VAL 3 -4.417 -1.277 5.489
14 HB VAL 3 HB VAL 3 -5.430 -3.278 6.479
15 HG11 VAL 3 HG11 VAL 3 -6.992 -0.771 7.067
16 HG12 VAL 3 HG12 VAL 3 -5.449 -1.238 7.783
17 HG13 VAL 3 3HG1 VAL 3 -6.898 -2.190 8.111
18 HG21 VAL 3 HG21 VAL 3 -7.981 -2.299 5.204
19 HG22 VAL 3 HG22 VAL 3 -7.888 -3.616 6.380
20 HG23 VAL 3 HG23 VAL 3 -7.106 -3.769 4.801
21 H THR 4 H THR 4 -4.071 -3.842 5.162
22 HA THR 4 HA THR 4 -3.144 -4.196 2.606
23 HB THR 4 HB THR 4 -3.963 -6.431 4.472
24 HG1 THR 4 HG1 THR 4 -1.603 -6.008 5.102
25 HG21 THR 4 HG21 THR 4 -1.977 -7.529 3.507
26 HG22 THR 4 HG22 THR 4 -1.688 -6.105 2.504
27 HG23 THR 4 HG23 THR 4 -3.130 -7.082 2.247
28 H HIS 5 H HIS 5 -4.047 -4.749 0.778
29 HA HIS 5 HA HIS 5 -5.300 -5.666 -0.787
30 HB2 HIS 5 HB2 HIS 5 -6.790 -7.082 1.425
31 HB3 HIS 5 HB1 HIS 5 -7.159 -7.301 -0.280
32 HD1 HIS 5 HD1 HIS 5 -5.253 -8.839 2.325
33 HD2 HIS 5 HD2 HIS 5 -4.663 -8.166 -1.730
34 HE1 HIS 5 HE1 HIS 5 -3.463 -10.452 1.602
35 H GLU 6 H GLU 6 -6.414 -3.380 1.280
36 HA GLU 6 HA GLU 6 -8.932 -3.013 -0.091
37 HB2 GLU 6 HB2 GLU 6 -7.380 -1.310 1.843
38 HB3 GLU 6 HB1 GLU 6 -8.824 -0.703 1.024
39 HG2 GLU 6 HG2 GLU 6 -9.953 -2.723 2.093
40 HG3 GLU 6 HG1 GLU 6 -8.496 -2.827 3.090
41 H LYS 7 H LYS 7 -9.323 -1.166 -1.490
42 HA LYS 7 HA LYS 7 -7.196 -0.820 -3.320
43 HB2 LYS 7 HB2 LYS 7 -9.950 0.333 -3.148
44 HB3 LYS 7 HB1 LYS 7 -8.776 1.050 -4.238
45 HG2 LYS 7 HG2 LYS 7 -10.135 -0.494 -5.454
46 HG3 LYS 7 HG1 LYS 7 -8.503 -1.140 -5.336
47 HD2 LYS 7 HD2 LYS 7 -9.276 -2.581 -3.466
48 HD3 LYS 7 HD1 LYS 7 -10.910 -1.969 -3.722
49 HE2 LYS 7 HE2 LYS 7 -9.238 -3.465 -5.739
50 HE3 LYS 7 HE1 LYS 7 -10.601 -4.114 -4.832
51 HZ1 LYS 7 HZ1 LYS 7 -11.217 -3.455 -7.102
52 HZ2 LYS 7 HZ2 LYS 7 -10.754 -1.882 -6.790
53 HZ3 LYS 7 HZ3 LYS 7 -12.058 -2.536 -5.966
54 H CYS 8 H CYS 8 -6.063 1.020 -3.834
55 HA CYS 8 HA CYS 8 -5.821 2.847 -1.562
56 HB2 CYS 8 HB2 CYS 8 -3.443 3.034 -2.297
57 HB3 CYS 8 HB1 CYS 8 -3.904 1.451 -1.678
58 H SER 9 H SER 9 -5.794 4.956 -1.958
59 HA SER 9 HA SER 9 -6.398 5.870 -4.600
60 HB2 SER 9 HB2 SER 9 -5.884 7.370 -2.022
61 HB3 SER 9 HB1 SER 9 -6.579 8.057 -3.494
62 HG SER 9 HG SER 9 -8.372 7.501 -2.595
63 H ASP 10 H ASP 10 -3.687 5.936 -2.303
64 HA ASP 10 HA ASP 10 -1.806 6.132 -4.405
65 HB2 ASP 10 HB2 ASP 10 -0.717 8.136 -3.785
66 HB3 ASP 10 HB1 ASP 10 -2.414 8.571 -3.896
67 H ASP 11 H ASP 11 0.475 6.362 -3.127
68 HA ASP 11 HA ASP 11 0.650 3.929 -1.679
69 HB2 ASP 11 HB2 ASP 11 2.719 6.098 -1.991
70 HB3 ASP 11 HB1 ASP 11 3.029 4.514 -1.294
71 H TYR 12 H TYR 12 0.562 7.252 -0.577
72 HA TYR 12 HA TYR 12 1.286 6.428 2.094
73 HB2 TYR 12 HB2 TYR 12 0.762 9.114 0.849
74 HB3 TYR 12 HB1 TYR 12 0.997 8.912 2.581
75 HD1 TYR 12 HD1 TYR 12 2.625 8.775 -0.705
76 HD2 TYR 12 HD2 TYR 12 3.167 8.329 3.480
77 HE1 TYR 12 HE1 TYR 12 5.067 8.822 -1.023
78 HE2 TYR 12 HE2 TYR 12 5.596 8.377 3.179
79 HH TYR 12 HH TYR 12 7.040 9.356 0.294
80 H ASP 13 H ASP 13 -1.364 6.307 0.362
81 HA ASP 13 HA ASP 13 -3.315 7.004 2.371
82 HB2 ASP 13 HB2 ASP 13 -3.903 7.366 0.069
83 HB3 ASP 13 HB1 ASP 13 -3.439 5.735 -0.362
84 H CYS 14 H CYS 14 -1.308 4.409 1.637
85 HA CYS 14 HA CYS 14 -3.035 2.390 2.803
86 HB2 CYS 14 HB2 CYS 14 -0.264 2.208 1.631
87 HB3 CYS 14 HB1 CYS 14 -1.233 0.844 2.191
88 H CYS 15 H CYS 15 -2.657 1.344 4.701
89 HA CYS 15 HA CYS 15 -1.250 2.736 6.757
90 HB2 CYS 15 HB2 CYS 15 -2.465 -0.036 6.791
91 HB3 CYS 15 HB1 CYS 15 -1.986 0.902 8.199
92 H GLY 16 H GLY 16 0.337 1.641 8.190
93 HA2 GLY 16 HA2 GLY 16 2.303 0.584 8.609
94 HA3 GLY 16 HA1 GLY 16 1.759 -0.657 7.494
95 H SER 17 H SER 17 3.563 -1.032 6.369
96 HA SER 17 HA SER 17 4.863 1.241 5.073
97 HB2 SER 17 HB2 SER 17 6.762 -0.347 4.787
98 HB3 SER 17 HB1 SER 17 6.348 -0.077 6.480
99 HG SER 17 HG SER 17 5.795 -2.078 6.676
100 H LEU 18 H LEU 18 2.345 -0.156 4.350
101 HA LEU 18 HA LEU 18 2.882 -1.739 2.017
102 HB2 LEU 18 HB2 LEU 18 0.333 -0.393 2.884
103 HB3 LEU 18 HB1 LEU 18 0.477 -1.627 1.653
104 HG LEU 18 HG LEU 18 0.942 -1.998 4.608
105 HD11 LEU 18 HD11 LEU 18 -1.095 -3.345 4.491
106 HD12 LEU 18 HD12 LEU 18 -1.289 -2.880 2.801
107 HD13 LEU 18 HD13 LEU 18 -1.380 -1.658 4.069
108 HD21 LEU 18 HD21 LEU 18 1.048 -4.397 4.067
109 HD22 LEU 18 HD22 LEU 18 2.364 -3.487 3.334
110 HD23 LEU 18 HD23 LEU 18 0.993 -4.002 2.346
111 H CYS 19 H CYS 19 2.240 -1.099 -0.127
112 HA CYS 19 HA CYS 19 2.367 1.772 -0.566
113 HB2 CYS 19 HB2 CYS 19 3.696 -0.444 -2.146
114 HB3 CYS 19 HB1 CYS 19 3.666 1.254 -2.616
115 H CYS 20 H CYS 20 1.669 2.080 -3.029
116 HA CYS 20 HA CYS 20 -0.935 0.755 -3.136
117 HB2 CYS 20 HB2 CYS 20 -0.922 3.195 -2.935
118 HB3 CYS 20 HB1 CYS 20 0.030 3.306 -4.410
119 H VAL 21 H VAL 21 -1.074 -0.823 -4.482
120 HA VAL 21 HA VAL 21 -0.192 -0.385 -7.171
121 HB VAL 21 HB VAL 21 1.655 -1.711 -6.252
122 HG11 VAL 21 HG11 VAL 21 -0.364 -3.772 -5.410
123 HG12 VAL 21 HG12 VAL 21 0.600 -2.740 -4.356
124 HG13 VAL 21 3HG1 VAL 21 1.390 -3.965 -5.348
125 HG21 VAL 21 HG21 VAL 21 1.631 -3.657 -7.762
126 HG22 VAL 21 HG22 VAL 21 1.063 -2.187 -8.555
127 HG23 VAL 21 HG23 VAL 21 -0.095 -3.409 -8.029
128 H GLY 22 H GLY 22 -2.416 0.187 -7.013
129 HA2 GLY 22 HA2 GLY 22 -4.577 -0.294 -7.769
130 HA3 GLY 22 HA1 GLY 22 -4.187 -2.017 -7.702
131 H ILE 23 H ILE 23 -3.426 -2.511 -5.356
132 HA ILE 23 HA ILE 23 -5.381 -1.530 -3.424
133 HB ILE 23 HB ILE 23 -5.326 -3.798 -2.391
134 HG12 ILE 23 HG12 ILE 23 -3.851 -4.602 -4.919
135 HG13 ILE 23 HG11 ILE 23 -3.162 -4.551 -3.303
136 HG21 ILE 23 HG21 ILE 23 -7.183 -3.210 -3.823
137 HG22 ILE 23 HG22 ILE 23 -6.783 -4.916 -4.024
138 HG23 ILE 23 HG23 ILE 23 -6.289 -3.744 -5.246
139 HD11 ILE 23 HD11 ILE 23 -5.375 -6.373 -4.228
140 HD12 ILE 23 HD12 ILE 23 -4.690 -6.323 -2.605
141 HD13 ILE 23 HD13 ILE 23 -3.690 -6.827 -3.966
142 H CYS 24 H CYS 24 -4.571 -1.785 -1.214
143 HA CYS 24 HA CYS 24 -1.872 -0.932 -1.006
144 HB2 CYS 24 HB2 CYS 24 -3.906 -1.655 1.098
145 HB3 CYS 24 HB1 CYS 24 -2.309 -1.005 1.449
146 H ALA 25 H ALA 25 -0.285 -2.204 -1.243
147 HA ALA 25 HA ALA 25 -0.160 -4.707 0.187
148 HB1 ALA 25 HB1 ALA 25 -1.120 -5.342 -1.968
149 HB2 ALA 25 HB2 ALA 25 0.540 -5.925 -1.823
150 HB3 ALA 25 HB3 ALA 25 0.187 -4.504 -2.807
151 H LYS 26 H LYS 26 2.019 -5.359 0.382
152 HA LYS 26 HA LYS 26 3.832 -3.121 0.171
153 HB2 LYS 26 HB2 LYS 26 3.708 -4.614 2.197
154 HB3 LYS 26 HB1 LYS 26 4.447 -5.871 1.211
155 HG2 LYS 26 HG2 LYS 26 6.365 -4.482 0.808
156 HG3 LYS 26 HG1 LYS 26 5.610 -3.166 1.703
157 HD2 LYS 26 HD2 LYS 26 5.614 -4.569 3.709
158 HD3 LYS 26 HD1 LYS 26 6.467 -5.824 2.794
159 HE2 LYS 26 HE2 LYS 26 8.061 -4.500 4.045
160 HE3 LYS 26 HE1 LYS 26 8.230 -4.248 2.299
161 HZ1 LYS 26 HZ1 LYS 26 8.372 -2.199 3.529
162 HZ2 LYS 26 HZ2 LYS 26 6.834 -2.406 4.165
163 HZ3 LYS 26 HZ3 LYS 26 7.039 -2.157 2.496
164 H THR 27 H THR 27 5.114 -2.792 -1.445
165 HA THR 27 HA THR 27 5.330 -4.695 -3.556
166 HB THR 27 HB THR 27 6.617 -2.653 -4.503
167 HG1 THR 27 HG1 THR 27 6.936 -1.173 -2.963
168 HG21 THR 27 HG21 THR 27 3.700 -2.403 -3.722
169 HG22 THR 27 HG22 THR 27 4.305 -3.246 -5.147
170 HG23 THR 27 HG23 THR 27 4.497 -1.499 -5.008
171 H ILE 28 H ILE 28 7.829 -4.246 -4.566
172 HA ILE 28 HA ILE 28 9.539 -5.556 -2.635
173 HB ILE 28 HB ILE 28 10.188 -4.647 -5.467
174 HG12 ILE 28 HG12 ILE 28 8.370 -6.280 -5.513
175 HG13 ILE 28 HG11 ILE 28 9.845 -6.997 -6.141
176 HG21 ILE 28 HG21 ILE 28 11.643 -6.593 -3.677
177 HG22 ILE 28 HG22 ILE 28 12.190 -4.978 -4.121
178 HG23 ILE 28 HG23 ILE 28 12.058 -6.233 -5.354
179 HD11 ILE 28 HD11 ILE 28 8.684 -7.438 -3.392
180 HD12 ILE 28 HD12 ILE 28 10.182 -8.145 -3.995
181 HD13 ILE 28 HD13 ILE 28 8.643 -8.571 -4.743
182 H ALA 29 H ALA 29 9.345 -2.519 -4.367
183 HA ALA 29 HA ALA 29 11.597 -1.405 -2.935
184 HB1 ALA 29 HB1 ALA 29 11.307 -0.866 -5.322
185 HB2 ALA 29 HB2 ALA 29 11.211 0.575 -4.316
186 HB3 ALA 29 HB3 ALA 29 9.739 -0.150 -4.955
187 HA PRO 30 HA PRO 30 8.837 0.353 0.071
188 HB2 PRO 30 HB2 PRO 30 10.621 1.893 1.369
189 HB3 PRO 30 HB1 PRO 30 10.573 0.137 1.570
190 HG2 PRO 30 HG2 PRO 30 12.456 1.818 -0.010
191 HG3 PRO 30 HG1 PRO 30 12.763 0.315 0.875
192 HD2 PRO 30 HD2 PRO 30 12.413 0.506 -1.868
193 HD3 PRO 30 HD1 PRO 30 12.208 -0.973 -0.909
194 H CYS 31 H CYS 31 7.426 1.742 -0.811
195 HA CYS 31 HA CYS 31 8.101 4.000 -2.363
196 HB2 CYS 31 HB2 CYS 31 5.663 4.522 -2.088
197 HB3 CYS 31 HB1 CYS 31 5.995 2.891 -2.672
198 H LYS 32 H LYS 32 7.590 3.472 1.009
199 HA LYS 32 HA LYS 32 7.517 6.319 1.580
200 HB2 LYS 32 HB2 LYS 32 7.200 3.959 3.440
201 HB3 LYS 32 HB1 LYS 32 6.920 5.646 3.845
202 HG2 LYS 32 HG2 LYS 32 5.082 5.709 2.205
203 HG3 LYS 32 HG1 LYS 32 5.339 3.993 1.886
204 HD2 LYS 32 HD2 LYS 32 4.886 3.513 4.254
205 HD3 LYS 32 HD1 LYS 32 4.585 5.232 4.519
206 HE2 LYS 32 HE2 LYS 32 2.766 5.115 2.836
207 HE3 LYS 32 HE1 LYS 32 3.020 3.372 2.735
208 HZ1 LYS 32 HZ1 LYS 32 2.228 4.902 5.132
209 HZ2 LYS 32 HZ2 LYS 32 2.539 3.259 5.147
210 HZ3 LYS 32 HZ3 LYS 32 1.219 3.870 4.267
Start of MODEL 2
1 H1 CYS 1 HT1 CYS 1 -7.018 5.197 6.744
2 H2 CYS 1 HT2 CYS 1 -5.631 5.965 7.359
3 H3 CYS 1 HT3 CYS 1 -6.064 4.406 7.870
4 HA CYS 1 HA CYS 1 -5.316 5.103 5.125
5 HB2 CYS 1 HB2 CYS 1 -3.273 3.783 5.624
6 HB3 CYS 1 HB1 CYS 1 -3.394 5.232 6.615
7 H ALA 2 H ALA 2 -5.252 3.295 3.734
8 HA ALA 2 HA ALA 2 -7.223 1.300 4.382
9 HB1 ALA 2 HB1 ALA 2 -5.599 1.751 1.879
10 HB2 ALA 2 HB2 ALA 2 -7.214 2.387 2.191
11 HB3 ALA 2 HB3 ALA 2 -6.967 0.649 2.037
12 H VAL 3 H VAL 3 -6.828 -0.865 4.588
13 HA VAL 3 HA VAL 3 -4.087 -1.497 5.328
14 HB VAL 3 HB VAL 3 -4.967 -3.532 6.347
15 HG11 VAL 3 HG11 VAL 3 -4.967 -1.499 7.665
16 HG12 VAL 3 HG12 VAL 3 -6.318 -2.537 8.105
17 HG13 VAL 3 3HG1 VAL 3 -6.592 -1.113 7.096
18 HG21 VAL 3 HG21 VAL 3 -6.747 -4.074 4.792
19 HG22 VAL 3 HG22 VAL 3 -7.632 -2.634 5.257
20 HG23 VAL 3 HG23 VAL 3 -7.425 -3.951 6.421
21 H THR 4 H THR 4 -3.774 -4.083 4.914
22 HA THR 4 HA THR 4 -2.975 -4.292 2.278
23 HB THR 4 HB THR 4 -3.589 -6.621 4.100
24 HG1 THR 4 HG1 THR 4 -1.361 -6.169 4.820
25 HG21 THR 4 HG21 THR 4 -1.588 -7.565 3.006
26 HG22 THR 4 HG22 THR 4 -1.426 -6.082 2.057
27 HG23 THR 4 HG23 THR 4 -2.820 -7.129 1.815
28 H HIS 5 H HIS 5 -4.025 -4.805 0.486
29 HA HIS 5 HA HIS 5 -5.405 -5.662 -0.991
30 HB2 HIS 5 HB2 HIS 5 -6.646 -7.234 1.274
31 HB3 HIS 5 HB1 HIS 5 -7.204 -7.351 -0.392
32 HD1 HIS 5 HD1 HIS 5 -5.146 -9.184 1.832
33 HD2 HIS 5 HD2 HIS 5 -4.750 -7.967 -2.125
34 HE1 HIS 5 HE1 HIS 5 -3.390 -10.661 0.810
35 H GLU 6 H GLU 6 -6.278 -3.445 1.215
36 HA GLU 6 HA GLU 6 -8.900 -3.033 0.055
37 HB2 GLU 6 HB2 GLU 6 -7.263 -1.409 2.003
38 HB3 GLU 6 HB1 GLU 6 -8.775 -0.805 1.321
39 HG2 GLU 6 HG2 GLU 6 -9.797 -2.906 2.332
40 HG3 GLU 6 HG1 GLU 6 -8.272 -3.066 3.209
41 H LYS 7 H LYS 7 -9.378 -1.197 -1.226
42 HA LYS 7 HA LYS 7 -7.604 -0.699 -3.324
43 HB2 LYS 7 HB2 LYS 7 -9.134 1.135 -3.953
44 HB3 LYS 7 HB1 LYS 7 -9.969 -0.371 -3.607
45 HG2 LYS 7 HG2 LYS 7 -10.552 0.465 -1.389
46 HG3 LYS 7 HG1 LYS 7 -9.710 1.969 -1.745
47 HD2 LYS 7 HD2 LYS 7 -11.229 2.432 -3.550
48 HD3 LYS 7 HD1 LYS 7 -12.042 0.884 -3.297
49 HE2 LYS 7 HE2 LYS 7 -13.323 2.654 -2.270
50 HE3 LYS 7 HE1 LYS 7 -12.620 1.568 -1.061
51 HZ1 LYS 7 HZ1 LYS 7 -10.931 3.172 -0.583
52 HZ2 LYS 7 HZ2 LYS 7 -12.432 3.920 -0.448
53 HZ3 LYS 7 HZ3 LYS 7 -11.476 4.195 -1.811
54 H CYS 8 H CYS 8 -6.284 1.117 -3.849
55 HA CYS 8 HA CYS 8 -5.656 2.783 -1.516
56 HB2 CYS 8 HB2 CYS 8 -3.355 2.924 -2.393
57 HB3 CYS 8 HB1 CYS 8 -3.823 1.277 -1.993
58 H SER 9 H SER 9 -5.596 4.922 -1.773
59 HA SER 9 HA SER 9 -6.428 6.013 -4.325
60 HB2 SER 9 HB2 SER 9 -5.707 7.515 -1.806
61 HB3 SER 9 HB1 SER 9 -6.804 8.017 -3.099
62 HG SER 9 HG SER 9 -7.145 6.092 -1.091
63 H ASP 10 H ASP 10 -3.615 5.881 -2.211
64 HA ASP 10 HA ASP 10 -1.784 6.305 -4.269
65 HB2 ASP 10 HB2 ASP 10 -0.651 8.278 -3.305
66 HB3 ASP 10 HB1 ASP 10 -2.265 8.701 -3.855
67 H ASP 11 H ASP 11 0.477 6.386 -3.080
68 HA ASP 11 HA ASP 11 0.647 3.975 -1.613
69 HB2 ASP 11 HB2 ASP 11 2.714 6.175 -1.797
70 HB3 ASP 11 HB1 ASP 11 3.011 4.565 -1.166
71 H TYR 12 H TYR 12 0.445 7.285 -0.562
72 HA TYR 12 HA TYR 12 1.190 6.589 2.144
73 HB2 TYR 12 HB2 TYR 12 0.498 9.275 0.930
74 HB3 TYR 12 HB1 TYR 12 1.183 9.006 2.533
75 HD1 TYR 12 HD1 TYR 12 3.508 8.136 2.754
76 HD2 TYR 12 HD2 TYR 12 1.890 9.248 -1.018
77 HE1 TYR 12 HE1 TYR 12 5.772 8.169 1.794
78 HE2 TYR 12 HE2 TYR 12 4.148 9.283 -1.985
79 HH TYR 12 HH TYR 12 6.783 7.881 -0.531
80 H ASP 13 H ASP 13 -1.438 6.283 0.421
81 HA ASP 13 HA ASP 13 -3.418 7.045 2.432
82 HB2 ASP 13 HB2 ASP 13 -3.961 7.386 0.055
83 HB3 ASP 13 HB1 ASP 13 -3.641 5.698 -0.276
84 H CYS 14 H CYS 14 -1.394 4.503 1.653
85 HA CYS 14 HA CYS 14 -3.051 2.407 2.805
86 HB2 CYS 14 HB2 CYS 14 -0.295 2.313 1.571
87 HB3 CYS 14 HB1 CYS 14 -1.254 0.922 2.079
88 H CYS 15 H CYS 15 -2.414 1.239 4.620
89 HA CYS 15 HA CYS 15 -1.082 2.714 6.671
90 HB2 CYS 15 HB2 CYS 15 -1.970 -0.166 6.655
91 HB3 CYS 15 HB1 CYS 15 -1.529 0.772 8.073
92 H GLY 16 H GLY 16 0.812 2.220 7.764
93 HA2 GLY 16 HA2 GLY 16 2.904 1.446 8.167
94 HA3 GLY 16 HA1 GLY 16 2.303 -0.098 7.596
95 H SER 17 H SER 17 3.851 -0.869 6.331
96 HA SER 17 HA SER 17 5.382 0.895 4.625
97 HB2 SER 17 HB2 SER 17 6.694 -1.235 4.278
98 HB3 SER 17 HB1 SER 17 6.641 -0.635 5.937
99 HG SER 17 HG SER 17 5.910 -2.530 6.409
100 H LEU 18 H LEU 18 2.476 -0.075 4.093
101 HA LEU 18 HA LEU 18 2.707 -1.725 1.741
102 HB2 LEU 18 HB2 LEU 18 0.362 -0.164 2.786
103 HB3 LEU 18 HB1 LEU 18 0.301 -1.336 1.488
104 HG LEU 18 HG LEU 18 0.886 -1.909 4.390
105 HD11 LEU 18 HD11 LEU 18 -1.412 -1.305 3.993
106 HD12 LEU 18 HD12 LEU 18 -1.287 -3.043 4.296
107 HD13 LEU 18 HD13 LEU 18 -1.496 -2.444 2.652
108 HD21 LEU 18 HD21 LEU 18 0.574 -3.792 2.051
109 HD22 LEU 18 HD22 LEU 18 0.723 -4.266 3.743
110 HD23 LEU 18 HD23 LEU 18 2.069 -3.469 2.929
111 H CYS 19 H CYS 19 2.206 -1.101 -0.350
112 HA CYS 19 HA CYS 19 2.358 1.759 -0.885
113 HB2 CYS 19 HB2 CYS 19 3.721 -0.506 -2.352
114 HB3 CYS 19 HB1 CYS 19 3.670 1.157 -2.929
115 H CYS 20 H CYS 20 1.588 2.179 -3.213
116 HA CYS 20 HA CYS 20 -1.023 0.893 -3.335
117 HB2 CYS 20 HB2 CYS 20 -0.942 3.314 -3.076
118 HB3 CYS 20 HB1 CYS 20 0.010 3.450 -4.544
119 H VAL 21 H VAL 21 -1.273 -0.648 -4.733
120 HA VAL 21 HA VAL 21 -0.435 -0.205 -7.444
121 HB VAL 21 HB VAL 21 1.364 -1.622 -6.550
122 HG11 VAL 21 HG11 VAL 21 -0.738 -3.604 -5.744
123 HG12 VAL 21 HG12 VAL 21 0.296 -2.651 -4.680
124 HG13 VAL 21 3HG1 VAL 21 1.004 -3.891 -5.716
125 HG21 VAL 21 HG21 VAL 21 0.783 -2.029 -8.863
126 HG22 VAL 21 HG22 VAL 21 -0.454 -3.188 -8.380
127 HG23 VAL 21 HG23 VAL 21 1.249 -3.550 -8.099
128 H GLY 22 H GLY 22 -2.680 0.464 -7.146
129 HA2 GLY 22 HA2 GLY 22 -4.865 0.086 -7.904
130 HA3 GLY 22 HA1 GLY 22 -4.538 -1.650 -7.918
131 H ILE 23 H ILE 23 -3.691 -2.180 -5.566
132 HA ILE 23 HA ILE 23 -5.583 -1.243 -3.542
133 HB ILE 23 HB ILE 23 -5.483 -3.557 -2.587
134 HG12 ILE 23 HG12 ILE 23 -4.156 -4.272 -5.222
135 HG13 ILE 23 HG11 ILE 23 -3.355 -4.233 -3.658
136 HG21 ILE 23 HG21 ILE 23 -7.421 -2.923 -3.903
137 HG22 ILE 23 HG22 ILE 23 -7.027 -4.619 -4.188
138 HG23 ILE 23 HG23 ILE 23 -6.596 -3.401 -5.388
139 HD11 ILE 23 HD11 ILE 23 -5.589 -6.076 -4.462
140 HD12 ILE 23 HD12 ILE 23 -4.790 -6.044 -2.889
141 HD13 ILE 23 HD13 ILE 23 -3.881 -6.499 -4.331
142 H CYS 24 H CYS 24 -4.624 -1.660 -1.349
143 HA CYS 24 HA CYS 24 -1.873 -0.872 -1.293
144 HB2 CYS 24 HB2 CYS 24 -3.763 -1.618 0.943
145 HB3 CYS 24 HB1 CYS 24 -2.164 -0.922 1.154
146 H ALA 25 H ALA 25 -0.269 -2.212 -1.462
147 HA ALA 25 HA ALA 25 -0.468 -4.865 -0.270
148 HB1 ALA 25 HB1 ALA 25 -1.041 -5.154 -2.636
149 HB2 ALA 25 HB2 ALA 25 0.521 -5.890 -2.272
150 HB3 ALA 25 HB3 ALA 25 0.451 -4.336 -3.100
151 H LYS 26 H LYS 26 1.635 -5.819 0.016
152 HA LYS 26 HA LYS 26 3.578 -3.776 0.671
153 HB2 LYS 26 HB2 LYS 26 3.008 -5.410 2.401
154 HB3 LYS 26 HB1 LYS 26 3.472 -6.725 1.339
155 HG2 LYS 26 HG2 LYS 26 5.169 -6.274 3.041
156 HG3 LYS 26 HG1 LYS 26 5.785 -6.007 1.409
157 HD2 LYS 26 HD2 LYS 26 5.446 -3.596 1.682
158 HD3 LYS 26 HD1 LYS 26 4.829 -3.868 3.314
159 HE2 LYS 26 HE2 LYS 26 7.181 -3.161 3.314
160 HE3 LYS 26 HE1 LYS 26 6.971 -4.767 3.996
161 HZ1 LYS 26 HZ1 LYS 26 8.873 -4.610 2.469
162 HZ2 LYS 26 HZ2 LYS 26 7.840 -4.254 1.187
163 HZ3 LYS 26 HZ3 LYS 26 7.743 -5.735 1.960
164 H THR 27 H THR 27 4.941 -3.229 -0.902
165 HA THR 27 HA THR 27 5.798 -5.156 -2.877
166 HB THR 27 HB THR 27 6.836 -2.990 -3.799
167 HG1 THR 27 HG1 THR 27 6.625 -1.274 -2.567
168 HG21 THR 27 HG21 THR 27 4.717 -3.936 -4.666
169 HG22 THR 27 HG22 THR 27 4.672 -2.173 -4.647
170 HG23 THR 27 HG23 THR 27 3.833 -3.090 -3.398
171 H ILE 28 H ILE 28 8.176 -5.171 -3.382
172 HA ILE 28 HA ILE 28 9.774 -5.432 -1.014
173 HB ILE 28 HB ILE 28 10.619 -5.533 -3.941
174 HG12 ILE 28 HG12 ILE 28 9.942 -7.786 -2.034
175 HG13 ILE 28 HG11 ILE 28 8.950 -7.245 -3.384
176 HG21 ILE 28 HG21 ILE 28 12.079 -6.477 -1.465
177 HG22 ILE 28 HG22 ILE 28 12.518 -5.099 -2.474
178 HG23 ILE 28 HG23 ILE 28 12.610 -6.735 -3.127
179 HD11 ILE 28 HD11 ILE 28 10.695 -7.941 -4.938
180 HD12 ILE 28 HD12 ILE 28 10.158 -9.280 -3.923
181 HD13 ILE 28 HD13 ILE 28 11.690 -8.475 -3.584
182 H ALA 29 H ALA 29 9.372 -3.147 -3.605
183 HA ALA 29 HA ALA 29 11.541 -1.468 -2.710
184 HB1 ALA 29 HB1 ALA 29 9.465 -1.036 -4.856
185 HB2 ALA 29 HB2 ALA 29 11.081 -1.697 -5.100
186 HB3 ALA 29 HB3 ALA 29 10.882 -0.026 -4.570
187 HA PRO 30 HA PRO 30 8.638 0.544 0.128
188 HB2 PRO 30 HB2 PRO 30 10.909 2.231 0.815
189 HB3 PRO 30 HB1 PRO 30 10.016 1.113 1.843
190 HG2 PRO 30 HG2 PRO 30 12.558 0.637 1.050
191 HG3 PRO 30 HG1 PRO 30 11.390 -0.657 1.350
192 HD2 PRO 30 HD2 PRO 30 12.320 0.496 -1.239
193 HD3 PRO 30 HD1 PRO 30 11.943 -1.187 -0.805
194 H CYS 31 H CYS 31 7.299 2.005 -0.597
195 HA CYS 31 HA CYS 31 8.108 4.072 -2.457
196 HB2 CYS 31 HB2 CYS 31 5.641 4.515 -2.456
197 HB3 CYS 31 HB1 CYS 31 6.088 2.870 -2.922
198 H LYS 32 H LYS 32 7.706 3.732 0.891
199 HA LYS 32 HA LYS 32 7.251 6.595 1.226
200 HB2 LYS 32 HB2 LYS 32 7.044 4.389 3.280
201 HB3 LYS 32 HB1 LYS 32 6.646 6.080 3.521
202 HG2 LYS 32 HG2 LYS 32 4.838 5.876 1.887
203 HG3 LYS 32 HG1 LYS 32 5.229 4.164 1.690
204 HD2 LYS 32 HD2 LYS 32 4.805 3.808 4.071
205 HD3 LYS 32 HD1 LYS 32 4.389 5.513 4.243
206 HE2 LYS 32 HE2 LYS 32 2.577 5.198 2.616
207 HE3 LYS 32 HE1 LYS 32 2.967 3.480 2.544
208 HZ1 LYS 32 HZ1 LYS 32 1.158 3.885 4.113
209 HZ2 LYS 32 HZ2 LYS 32 2.140 4.954 4.969
210 HZ3 LYS 32 HZ3 LYS 32 2.548 3.338 4.910
Start of MODEL 3
1 H1 CYS 1 HT1 CYS 1 -6.530 4.427 7.761
2 H2 CYS 1 HT2 CYS 1 -7.561 5.213 6.698
3 H3 CYS 1 HT3 CYS 1 -6.189 6.018 7.293
4 HA CYS 1 HA CYS 1 -5.872 5.291 5.047
5 HB2 CYS 1 HB2 CYS 1 -3.799 3.911 5.463
6 HB3 CYS 1 HB1 CYS 1 -3.894 5.387 6.412
7 H ALA 2 H ALA 2 -5.365 3.332 3.695
8 HA ALA 2 HA ALA 2 -7.450 1.354 4.076
9 HB1 ALA 2 HB1 ALA 2 -7.240 2.443 1.891
10 HB2 ALA 2 HB2 ALA 2 -6.920 0.715 1.767
11 HB3 ALA 2 HB3 ALA 2 -5.582 1.863 1.757
12 H VAL 3 H VAL 3 -7.037 -0.742 4.444
13 HA VAL 3 HA VAL 3 -4.336 -1.292 5.383
14 HB VAL 3 HB VAL 3 -5.273 -3.299 6.444
15 HG11 VAL 3 HG11 VAL 3 -6.694 -2.191 8.103
16 HG12 VAL 3 HG12 VAL 3 -6.837 -0.797 7.031
17 HG13 VAL 3 3HG1 VAL 3 -5.267 -1.235 7.701
18 HG21 VAL 3 HG21 VAL 3 -7.741 -3.649 6.453
19 HG22 VAL 3 HG22 VAL 3 -6.993 -3.874 4.867
20 HG23 VAL 3 HG23 VAL 3 -7.871 -2.395 5.209
21 H THR 4 H THR 4 -3.951 -3.896 5.134
22 HA THR 4 HA THR 4 -3.014 -4.215 2.578
23 HB THR 4 HB THR 4 -3.711 -6.443 4.511
24 HG1 THR 4 HG1 THR 4 -1.177 -5.716 4.742
25 HG21 THR 4 HG21 THR 4 -1.755 -7.542 3.487
26 HG22 THR 4 HG22 THR 4 -1.531 -6.149 2.426
27 HG23 THR 4 HG23 THR 4 -2.967 -7.157 2.262
28 H HIS 5 H HIS 5 -3.857 -4.813 0.748
29 HA HIS 5 HA HIS 5 -5.087 -5.684 -0.857
30 HB2 HIS 5 HB2 HIS 5 -6.529 -7.200 1.311
31 HB3 HIS 5 HB1 HIS 5 -6.960 -7.339 -0.388
32 HD1 HIS 5 HD1 HIS 5 -4.939 -8.955 2.080
33 HD2 HIS 5 HD2 HIS 5 -4.551 -8.159 -1.971
34 HE1 HIS 5 HE1 HIS 5 -3.181 -10.538 1.222
35 H GLU 6 H GLU 6 -6.233 -3.439 1.218
36 HA GLU 6 HA GLU 6 -8.799 -3.192 -0.084
37 HB2 GLU 6 HB2 GLU 6 -7.356 -1.401 1.865
38 HB3 GLU 6 HB1 GLU 6 -8.904 -0.968 1.133
39 HG2 GLU 6 HG2 GLU 6 -9.728 -3.135 2.161
40 HG3 GLU 6 HG1 GLU 6 -8.216 -3.128 3.070
41 H LYS 7 H LYS 7 -9.380 -1.335 -1.357
42 HA LYS 7 HA LYS 7 -7.445 -0.769 -3.346
43 HB2 LYS 7 HB2 LYS 7 -10.169 0.423 -2.822
44 HB3 LYS 7 HB1 LYS 7 -9.179 0.829 -4.217
45 HG2 LYS 7 HG2 LYS 7 -9.232 -1.525 -4.923
46 HG3 LYS 7 HG1 LYS 7 -10.246 -1.900 -3.538
47 HD2 LYS 7 HD2 LYS 7 -12.012 -0.507 -4.352
48 HD3 LYS 7 HD1 LYS 7 -10.989 0.120 -5.641
49 HE2 LYS 7 HE2 LYS 7 -11.819 -2.771 -5.362
50 HE3 LYS 7 HE1 LYS 7 -12.621 -1.598 -6.408
51 HZ1 LYS 7 HZ1 LYS 7 -10.545 -1.324 -7.612
52 HZ2 LYS 7 HZ2 LYS 7 -11.038 -2.925 -7.655
53 HZ3 LYS 7 HZ3 LYS 7 -9.774 -2.462 -6.649
54 H CYS 8 H CYS 8 -6.338 1.110 -3.792
55 HA CYS 8 HA CYS 8 -6.075 2.872 -1.451
56 HB2 CYS 8 HB2 CYS 8 -3.716 3.123 -2.202
57 HB3 CYS 8 HB1 CYS 8 -4.149 1.505 -1.660
58 H SER 9 H SER 9 -5.860 5.033 -1.762
59 HA SER 9 HA SER 9 -6.492 6.035 -4.404
60 HB2 SER 9 HB2 SER 9 -7.670 6.899 -2.366
61 HB3 SER 9 HB1 SER 9 -6.129 7.519 -1.783
62 HG SER 9 HG SER 9 -6.083 8.980 -3.400
63 H ASP 10 H ASP 10 -3.848 5.864 -2.080
64 HA ASP 10 HA ASP 10 -1.928 6.476 -4.048
65 HB2 ASP 10 HB2 ASP 10 -0.914 8.401 -2.921
66 HB3 ASP 10 HB1 ASP 10 -2.549 8.800 -3.431
67 H ASP 11 H ASP 11 0.285 6.613 -2.759
68 HA ASP 11 HA ASP 11 0.475 4.055 -1.517
69 HB2 ASP 11 HB2 ASP 11 2.576 6.225 -1.738
70 HB3 ASP 11 HB1 ASP 11 2.885 4.593 -1.169
71 H TYR 12 H TYR 12 0.372 7.308 -0.242
72 HA TYR 12 HA TYR 12 1.144 6.421 2.403
73 HB2 TYR 12 HB2 TYR 12 0.200 9.121 1.425
74 HB3 TYR 12 HB1 TYR 12 0.820 8.771 3.029
75 HD1 TYR 12 HD1 TYR 12 1.731 9.147 -0.520
76 HD2 TYR 12 HD2 TYR 12 3.177 8.551 3.428
77 HE1 TYR 12 HE1 TYR 12 3.998 9.693 -1.278
78 HE2 TYR 12 HE2 TYR 12 5.456 9.095 2.678
79 HH TYR 12 HH TYR 12 6.041 10.464 -0.407
80 H ASP 13 H ASP 13 -1.542 6.421 0.540
81 HA ASP 13 HA ASP 13 -3.527 6.871 2.547
82 HB2 ASP 13 HB2 ASP 13 -3.989 7.356 0.202
83 HB3 ASP 13 HB1 ASP 13 -3.659 5.690 -0.224
84 H CYS 14 H CYS 14 -1.532 4.348 1.540
85 HA CYS 14 HA CYS 14 -3.163 2.269 2.724
86 HB2 CYS 14 HB2 CYS 14 -0.411 2.188 1.493
87 HB3 CYS 14 HB1 CYS 14 -1.356 0.797 2.035
88 H CYS 15 H CYS 15 -2.792 1.367 4.658
89 HA CYS 15 HA CYS 15 -1.466 2.811 6.660
90 HB2 CYS 15 HB2 CYS 15 -2.404 -0.051 6.693
91 HB3 CYS 15 HB1 CYS 15 -2.009 0.915 8.111
92 H GLY 16 H GLY 16 0.382 2.452 7.787
93 HA2 GLY 16 HA2 GLY 16 2.433 1.663 8.351
94 HA3 GLY 16 HA1 GLY 16 1.992 0.146 7.586
95 H SER 17 H SER 17 3.583 -0.373 6.264
96 HA SER 17 HA SER 17 4.876 1.747 4.747
97 HB2 SER 17 HB2 SER 17 6.642 -0.060 4.426
98 HB3 SER 17 HB1 SER 17 6.439 0.550 6.069
99 HG SER 17 HG SER 17 5.480 -1.275 6.671
100 H LEU 18 H LEU 18 2.290 0.023 4.255
101 HA LEU 18 HA LEU 18 2.775 -1.442 1.877
102 HB2 LEU 18 HB2 LEU 18 0.256 -0.086 2.788
103 HB3 LEU 18 HB1 LEU 18 0.348 -1.258 1.490
104 HG LEU 18 HG LEU 18 0.785 -1.744 4.430
105 HD11 LEU 18 HD11 LEU 18 -1.370 -2.620 2.531
106 HD12 LEU 18 HD12 LEU 18 -1.527 -1.420 3.815
107 HD13 LEU 18 HD13 LEU 18 -1.229 -3.112 4.217
108 HD21 LEU 18 HD21 LEU 18 2.265 -3.194 3.187
109 HD22 LEU 18 HD22 LEU 18 0.958 -3.646 2.100
110 HD23 LEU 18 HD23 LEU 18 0.905 -4.142 3.790
111 H CYS 19 H CYS 19 2.106 -0.884 -0.278
112 HA CYS 19 HA CYS 19 2.308 1.967 -0.870
113 HB2 CYS 19 HB2 CYS 19 3.444 -0.403 -2.385
114 HB3 CYS 19 HB1 CYS 19 3.468 1.262 -2.952
115 H CYS 20 H CYS 20 1.414 2.312 -3.160
116 HA CYS 20 HA CYS 20 -1.166 0.945 -3.222
117 HB2 CYS 20 HB2 CYS 20 -1.093 3.414 -2.995
118 HB3 CYS 20 HB1 CYS 20 -0.252 3.506 -4.534
119 H VAL 21 H VAL 21 -1.313 -0.634 -4.630
120 HA VAL 21 HA VAL 21 -0.192 -0.332 -7.312
121 HB VAL 21 HB VAL 21 0.387 -2.820 -7.294
122 HG11 VAL 21 HG11 VAL 21 1.922 -1.105 -5.345
123 HG12 VAL 21 HG12 VAL 21 2.154 -1.159 -7.091
124 HG13 VAL 21 3HG1 VAL 21 2.525 -2.576 -6.108
125 HG21 VAL 21 HG21 VAL 21 0.078 -2.523 -4.297
126 HG22 VAL 21 HG22 VAL 21 0.756 -3.928 -5.123
127 HG23 VAL 21 HG23 VAL 21 -0.942 -3.504 -5.349
128 H GLY 22 H GLY 22 -2.631 0.351 -6.772
129 HA2 GLY 22 HA2 GLY 22 -4.761 -0.077 -7.686
130 HA3 GLY 22 HA1 GLY 22 -4.361 -1.800 -7.744
131 H ILE 23 H ILE 23 -3.506 -2.413 -5.465
132 HA ILE 23 HA ILE 23 -5.431 -1.573 -3.438
133 HB ILE 23 HB ILE 23 -5.241 -3.865 -2.475
134 HG12 ILE 23 HG12 ILE 23 -3.898 -4.560 -5.106
135 HG13 ILE 23 HG11 ILE 23 -3.082 -4.465 -3.552
136 HG21 ILE 23 HG21 ILE 23 -6.341 -3.743 -5.279
137 HG22 ILE 23 HG22 ILE 23 -7.183 -3.286 -3.797
138 HG23 ILE 23 HG23 ILE 23 -6.741 -4.970 -4.076
139 HD11 ILE 23 HD11 ILE 23 -3.541 -6.764 -4.172
140 HD12 ILE 23 HD12 ILE 23 -5.266 -6.399 -4.288
141 HD13 ILE 23 HD13 ILE 23 -4.444 -6.301 -2.731
142 H CYS 24 H CYS 24 -4.549 -1.983 -1.261
143 HA CYS 24 HA CYS 24 -1.888 -0.973 -1.104
144 HB2 CYS 24 HB2 CYS 24 -3.856 -1.760 1.027
145 HB3 CYS 24 HB1 CYS 24 -2.292 -1.013 1.338
146 H ALA 25 H ALA 25 -0.216 -2.160 -1.315
147 HA ALA 25 HA ALA 25 0.186 -4.503 0.315
148 HB1 ALA 25 HB1 ALA 25 0.398 -4.583 -2.707
149 HB2 ALA 25 HB2 ALA 25 -0.771 -5.471 -1.731
150 HB3 ALA 25 HB3 ALA 25 0.947 -5.855 -1.616
151 H LYS 26 H LYS 26 2.419 -4.698 0.748
152 HA LYS 26 HA LYS 26 3.952 -2.415 -0.093
153 HB2 LYS 26 HB2 LYS 26 4.112 -3.020 2.256
154 HB3 LYS 26 HB1 LYS 26 4.605 -4.651 1.830
155 HG2 LYS 26 HG2 LYS 26 6.742 -3.942 1.153
156 HG3 LYS 26 HG1 LYS 26 6.247 -2.252 1.080
157 HD2 LYS 26 HD2 LYS 26 7.647 -2.800 3.066
158 HD3 LYS 26 HD1 LYS 26 6.068 -2.136 3.471
159 HE2 LYS 26 HE2 LYS 26 5.254 -4.442 3.867
160 HE3 LYS 26 HE1 LYS 26 6.884 -5.039 3.561
161 HZ1 LYS 26 HZ1 LYS 26 6.365 -4.756 5.939
162 HZ2 LYS 26 HZ2 LYS 26 6.178 -3.099 5.700
163 HZ3 LYS 26 HZ3 LYS 26 7.675 -3.814 5.461
164 H THR 27 H THR 27 5.598 -2.383 -1.455
165 HA THR 27 HA THR 27 5.735 -4.491 -3.331
166 HB THR 27 HB THR 27 7.321 -2.751 -4.346
167 HG1 THR 27 HG1 THR 27 7.722 -1.102 -3.059
168 HG21 THR 27 HG21 THR 27 4.984 -3.071 -5.083
169 HG22 THR 27 HG22 THR 27 5.409 -1.360 -5.069
170 HG23 THR 27 HG23 THR 27 4.432 -2.037 -3.767
171 H ILE 28 H ILE 28 8.035 -4.827 -4.259
172 HA ILE 28 HA ILE 28 9.680 -6.104 -2.354
173 HB ILE 28 HB ILE 28 10.328 -5.261 -5.203
174 HG12 ILE 28 HG12 ILE 28 9.277 -7.910 -4.170
175 HG13 ILE 28 HG11 ILE 28 8.317 -6.717 -5.030
176 HG21 ILE 28 HG21 ILE 28 12.018 -7.055 -5.111
177 HG22 ILE 28 HG22 ILE 28 11.633 -7.305 -3.406
178 HG23 ILE 28 HG23 ILE 28 12.331 -5.777 -3.938
179 HD11 ILE 28 HD11 ILE 28 8.983 -8.539 -6.487
180 HD12 ILE 28 HD12 ILE 28 10.682 -8.223 -6.130
181 HD13 ILE 28 HD13 ILE 28 9.728 -7.027 -7.007
182 H ALA 29 H ALA 29 10.030 -3.126 -4.254
183 HA ALA 29 HA ALA 29 12.096 -2.247 -2.405
184 HB1 ALA 29 HB1 ALA 29 12.649 -2.139 -4.797
185 HB2 ALA 29 HB2 ALA 29 12.593 -0.538 -4.064
186 HB3 ALA 29 HB3 ALA 29 11.255 -1.089 -5.069
187 HA PRO 30 HA PRO 30 8.815 -0.110 -0.207
188 HB2 PRO 30 HB2 PRO 30 11.207 1.440 0.673
189 HB3 PRO 30 HB1 PRO 30 9.900 0.746 1.637
190 HG2 PRO 30 HG2 PRO 30 12.263 -0.442 1.554
191 HG3 PRO 30 HG1 PRO 30 10.764 -1.390 1.521
192 HD2 PRO 30 HD2 PRO 30 12.654 -0.776 -0.702
193 HD3 PRO 30 HD1 PRO 30 11.695 -2.234 -0.396
194 H CYS 31 H CYS 31 7.620 1.602 -0.713
195 HA CYS 31 HA CYS 31 8.710 3.659 -2.492
196 HB2 CYS 31 HB2 CYS 31 6.352 4.211 -2.892
197 HB3 CYS 31 HB1 CYS 31 6.621 2.486 -3.128
198 H LYS 32 H LYS 32 7.897 2.982 0.677
199 HA LYS 32 HA LYS 32 7.927 5.773 1.517
200 HB2 LYS 32 HB2 LYS 32 6.169 3.515 2.509
201 HB3 LYS 32 HB1 LYS 32 6.335 5.066 3.318
202 HG2 LYS 32 HG2 LYS 32 5.179 6.204 1.674
203 HG3 LYS 32 HG1 LYS 32 5.509 4.976 0.453
204 HD2 LYS 32 HD2 LYS 32 3.169 4.920 1.113
205 HD3 LYS 32 HD1 LYS 32 3.992 3.441 1.593
206 HE2 LYS 32 HE2 LYS 32 4.172 4.306 3.877
207 HE3 LYS 32 HE1 LYS 32 3.309 5.766 3.378
208 HZ1 LYS 32 HZ1 LYS 32 1.820 4.148 4.399
209 HZ2 LYS 32 HZ2 LYS 32 2.239 3.006 3.223
210 HZ3 LYS 32 HZ3 LYS 32 1.406 4.379 2.777
Start of MODEL 4
1 H1 CYS 1 HT1 CYS 1 -6.241 4.663 7.627
2 H2 CYS 1 HT2 CYS 1 -7.179 5.393 6.440
3 H3 CYS 1 HT3 CYS 1 -5.808 6.201 7.064
4 HA CYS 1 HA CYS 1 -5.385 5.268 4.902
5 HB2 CYS 1 HB2 CYS 1 -3.399 3.907 5.517
6 HB3 CYS 1 HB1 CYS 1 -3.513 5.391 6.446
7 H ALA 2 H ALA 2 -5.228 3.425 3.563
8 HA ALA 2 HA ALA 2 -7.256 1.453 4.151
9 HB1 ALA 2 HB1 ALA 2 -5.542 1.848 1.694
10 HB2 ALA 2 HB2 ALA 2 -7.166 2.492 1.926
11 HB3 ALA 2 HB3 ALA 2 -6.915 0.750 1.825
12 H VAL 3 H VAL 3 -6.874 -0.690 4.449
13 HA VAL 3 HA VAL 3 -4.144 -1.301 5.267
14 HB VAL 3 HB VAL 3 -5.056 -3.230 6.454
15 HG11 VAL 3 HG11 VAL 3 -6.523 -0.672 7.011
16 HG12 VAL 3 HG12 VAL 3 -4.957 -1.163 7.658
17 HG13 VAL 3 3HG1 VAL 3 -6.420 -2.035 8.119
18 HG21 VAL 3 HG21 VAL 3 -6.885 -3.851 5.003
19 HG22 VAL 3 HG22 VAL 3 -7.707 -2.340 5.338
20 HG23 VAL 3 HG23 VAL 3 -7.527 -3.543 6.623
21 H THR 4 H THR 4 -3.913 -3.933 5.081
22 HA THR 4 HA THR 4 -3.061 -4.384 2.509
23 HB THR 4 HB THR 4 -3.887 -6.525 4.483
24 HG1 THR 4 HG1 THR 4 -2.491 -5.516 5.711
25 HG21 THR 4 HG21 THR 4 -3.252 -7.313 2.254
26 HG22 THR 4 HG22 THR 4 -2.010 -7.751 3.437
27 HG23 THR 4 HG23 THR 4 -1.764 -6.379 2.348
28 H HIS 5 H HIS 5 -4.064 -4.876 0.702
29 HA HIS 5 HA HIS 5 -5.410 -5.728 -0.827
30 HB2 HIS 5 HB2 HIS 5 -6.830 -7.191 1.413
31 HB3 HIS 5 HB1 HIS 5 -7.232 -7.381 -0.288
32 HD1 HIS 5 HD1 HIS 5 -5.365 -9.062 2.233
33 HD2 HIS 5 HD2 HIS 5 -4.677 -8.163 -1.769
34 HE1 HIS 5 HE1 HIS 5 -3.589 -10.649 1.457
35 H GLU 6 H GLU 6 -6.345 -3.470 1.340
36 HA GLU 6 HA GLU 6 -8.925 -3.051 0.116
37 HB2 GLU 6 HB2 GLU 6 -7.313 -1.351 2.023
38 HB3 GLU 6 HB1 GLU 6 -8.861 -0.838 1.350
39 HG2 GLU 6 HG2 GLU 6 -9.781 -2.951 2.407
40 HG3 GLU 6 HG1 GLU 6 -8.241 -3.049 3.265
41 H LYS 7 H LYS 7 -9.372 -1.112 -1.088
42 HA LYS 7 HA LYS 7 -7.397 -0.838 -3.122
43 HB2 LYS 7 HB2 LYS 7 -10.082 0.502 -2.802
44 HB3 LYS 7 HB1 LYS 7 -9.070 0.590 -4.243
45 HG2 LYS 7 HG2 LYS 7 -9.214 -1.848 -4.483
46 HG3 LYS 7 HG1 LYS 7 -10.246 -1.912 -3.065
47 HD2 LYS 7 HD2 LYS 7 -11.917 -0.551 -4.202
48 HD3 LYS 7 HD1 LYS 7 -10.868 -0.441 -5.618
49 HE2 LYS 7 HE2 LYS 7 -12.036 -2.984 -4.480
50 HE3 LYS 7 HE1 LYS 7 -12.619 -2.136 -5.908
51 HZ1 LYS 7 HZ1 LYS 7 -10.434 -2.543 -6.942
52 HZ2 LYS 7 HZ2 LYS 7 -11.244 -3.967 -6.541
53 HZ3 LYS 7 HZ3 LYS 7 -9.969 -3.451 -5.585
54 H CYS 8 H CYS 8 -6.299 1.012 -3.729
55 HA CYS 8 HA CYS 8 -5.974 2.875 -1.488
56 HB2 CYS 8 HB2 CYS 8 -3.623 3.024 -2.239
57 HB3 CYS 8 HB1 CYS 8 -4.091 1.427 -1.663
58 H SER 9 H SER 9 -5.771 4.982 -1.905
59 HA SER 9 HA SER 9 -6.377 5.863 -4.621
60 HB2 SER 9 HB2 SER 9 -6.288 7.438 -2.037
61 HB3 SER 9 HB1 SER 9 -6.973 7.969 -3.577
62 HG SER 9 HG SER 9 -7.848 5.801 -1.986
63 H ASP 10 H ASP 10 -3.806 5.578 -2.359
64 HA ASP 10 HA ASP 10 -1.855 6.572 -4.151
65 HB2 ASP 10 HB2 ASP 10 -2.632 8.770 -3.280
66 HB3 ASP 10 HB1 ASP 10 -2.371 8.198 -1.634
67 H ASP 11 H ASP 11 0.310 6.434 -3.053
68 HA ASP 11 HA ASP 11 0.559 3.918 -1.768
69 HB2 ASP 11 HB2 ASP 11 2.583 6.123 -2.144
70 HB3 ASP 11 HB1 ASP 11 2.957 4.500 -1.573
71 H TYR 12 H TYR 12 0.701 7.250 -0.646
72 HA TYR 12 HA TYR 12 1.406 6.357 2.002
73 HB2 TYR 12 HB2 TYR 12 0.888 9.130 0.913
74 HB3 TYR 12 HB1 TYR 12 1.407 8.787 2.563
75 HD1 TYR 12 HD1 TYR 12 3.670 7.899 2.984
76 HD2 TYR 12 HD2 TYR 12 2.435 9.014 -0.925
77 HE1 TYR 12 HE1 TYR 12 6.012 7.898 2.249
78 HE2 TYR 12 HE2 TYR 12 4.776 9.015 -1.673
79 HH TYR 12 HH TYR 12 7.228 7.576 -0.022
80 H ASP 13 H ASP 13 -1.258 6.257 0.354
81 HA ASP 13 HA ASP 13 -3.183 7.078 2.364
82 HB2 ASP 13 HB2 ASP 13 -3.799 7.512 0.090
83 HB3 ASP 13 HB1 ASP 13 -3.351 5.897 -0.414
84 H CYS 14 H CYS 14 -1.304 4.390 1.539
85 HA CYS 14 HA CYS 14 -3.070 2.451 2.783
86 HB2 CYS 14 HB2 CYS 14 -0.331 2.149 1.546
87 HB3 CYS 14 HB1 CYS 14 -1.360 0.840 2.125
88 H CYS 15 H CYS 15 -2.511 1.319 4.649
89 HA CYS 15 HA CYS 15 -1.110 2.808 6.647
90 HB2 CYS 15 HB2 CYS 15 -2.113 -0.039 6.776
91 HB3 CYS 15 HB1 CYS 15 -1.717 0.987 8.144
92 H GLY 16 H GLY 16 0.675 1.961 7.968
93 HA2 GLY 16 HA2 GLY 16 2.680 0.963 8.387
94 HA3 GLY 16 HA1 GLY 16 2.073 -0.414 7.483
95 H SER 17 H SER 17 3.597 -0.997 6.108
96 HA SER 17 HA SER 17 5.137 1.050 4.712
97 HB2 SER 17 HB2 SER 17 6.620 -0.968 4.212
98 HB3 SER 17 HB1 SER 17 6.543 -0.454 5.898
99 HG SER 17 HG SER 17 6.330 -2.692 5.686
100 H LEU 18 H LEU 18 2.338 -0.120 4.154
101 HA LEU 18 HA LEU 18 2.602 -1.616 1.732
102 HB2 LEU 18 HB2 LEU 18 0.232 -0.158 2.850
103 HB3 LEU 18 HB1 LEU 18 0.189 -1.339 1.554
104 HG LEU 18 HG LEU 18 0.878 -1.862 4.439
105 HD11 LEU 18 HD11 LEU 18 -1.527 -2.585 2.787
106 HD12 LEU 18 HD12 LEU 18 -1.470 -1.404 4.098
107 HD13 LEU 18 HD13 LEU 18 -1.217 -3.117 4.437
108 HD21 LEU 18 HD21 LEU 18 0.623 -3.769 2.121
109 HD22 LEU 18 HD22 LEU 18 0.860 -4.203 3.816
110 HD23 LEU 18 HD23 LEU 18 2.120 -3.332 2.949
111 H CYS 19 H CYS 19 2.125 -0.940 -0.332
112 HA CYS 19 HA CYS 19 2.103 1.934 -0.768
113 HB2 CYS 19 HB2 CYS 19 3.567 -0.205 -2.331
114 HB3 CYS 19 HB1 CYS 19 3.428 1.487 -2.812
115 H CYS 20 H CYS 20 1.428 2.204 -3.250
116 HA CYS 20 HA CYS 20 -1.150 0.843 -3.295
117 HB2 CYS 20 HB2 CYS 20 -1.101 3.296 -3.060
118 HB3 CYS 20 HB1 CYS 20 -0.263 3.404 -4.600
119 H VAL 21 H VAL 21 -1.288 -0.744 -4.684
120 HA VAL 21 HA VAL 21 -0.440 -0.291 -7.439
121 HB VAL 21 HB VAL 21 -0.128 -3.019 -6.096
122 HG11 VAL 21 HG11 VAL 21 -0.553 -3.134 -8.472
123 HG12 VAL 21 HG12 VAL 21 1.102 -3.640 -8.128
124 HG13 VAL 21 3HG1 VAL 21 0.790 -2.036 -8.790
125 HG21 VAL 21 HG21 VAL 21 1.585 -1.547 -5.155
126 HG22 VAL 21 HG22 VAL 21 2.096 -1.087 -6.778
127 HG23 VAL 21 HG23 VAL 21 2.318 -2.745 -6.222
128 H GLY 22 H GLY 22 -2.707 0.373 -7.136
129 HA2 GLY 22 HA2 GLY 22 -4.928 -0.049 -7.748
130 HA3 GLY 22 HA1 GLY 22 -4.557 -1.775 -7.797
131 H ILE 23 H ILE 23 -3.626 -2.332 -5.455
132 HA ILE 23 HA ILE 23 -5.491 -1.433 -3.396
133 HB ILE 23 HB ILE 23 -5.453 -3.741 -2.466
134 HG12 ILE 23 HG12 ILE 23 -4.110 -4.479 -5.081
135 HG13 ILE 23 HG11 ILE 23 -3.340 -4.486 -3.501
136 HG21 ILE 23 HG21 ILE 23 -7.352 -3.069 -3.794
137 HG22 ILE 23 HG22 ILE 23 -6.981 -4.769 -4.096
138 HG23 ILE 23 HG23 ILE 23 -6.518 -3.542 -5.275
139 HD11 ILE 23 HD11 ILE 23 -3.942 -6.727 -4.222
140 HD12 ILE 23 HD12 ILE 23 -5.631 -6.238 -4.357
141 HD13 ILE 23 HD13 ILE 23 -4.843 -6.263 -2.780
142 H CYS 24 H CYS 24 -4.572 -1.883 -1.237
143 HA CYS 24 HA CYS 24 -1.856 -1.013 -1.152
144 HB2 CYS 24 HB2 CYS 24 -3.738 -1.776 1.064
145 HB3 CYS 24 HB1 CYS 24 -2.167 -1.022 1.277
146 H ALA 25 H ALA 25 -0.189 -2.224 -1.255
147 HA ALA 25 HA ALA 25 0.062 -4.648 0.286
148 HB1 ALA 25 HB1 ALA 25 -0.847 -5.490 -1.831
149 HB2 ALA 25 HB2 ALA 25 0.842 -5.961 -1.646
150 HB3 ALA 25 HB3 ALA 25 0.410 -4.630 -2.720
151 H LYS 26 H LYS 26 2.352 -5.135 0.540
152 HA LYS 26 HA LYS 26 3.951 -2.774 0.061
153 HB2 LYS 26 HB2 LYS 26 4.112 -3.947 2.269
154 HB3 LYS 26 HB1 LYS 26 4.782 -5.347 1.437
155 HG2 LYS 26 HG2 LYS 26 6.701 -4.032 0.714
156 HG3 LYS 26 HG1 LYS 26 6.025 -2.600 1.477
157 HD2 LYS 26 HD2 LYS 26 7.754 -3.527 2.887
158 HD3 LYS 26 HD1 LYS 26 6.192 -3.734 3.668
159 HE2 LYS 26 HE2 LYS 26 6.125 -6.050 3.018
160 HE3 LYS 26 HE1 LYS 26 7.603 -5.878 2.077
161 HZ1 LYS 26 HZ1 LYS 26 7.392 -5.523 5.021
162 HZ2 LYS 26 HZ2 LYS 26 8.798 -5.399 4.102
163 HZ3 LYS 26 HZ3 LYS 26 8.024 -6.882 4.240
164 H THR 27 H THR 27 5.496 -2.566 -1.426
165 HA THR 27 HA THR 27 5.685 -4.523 -3.499
166 HB THR 27 HB THR 27 7.133 -2.625 -4.439
167 HG1 THR 27 HG1 THR 27 7.585 -1.093 -3.028
168 HG21 THR 27 HG21 THR 27 5.152 -1.222 -4.915
169 HG22 THR 27 HG22 THR 27 4.266 -2.059 -3.640
170 HG23 THR 27 HG23 THR 27 4.780 -2.937 -5.079
171 H ILE 28 H ILE 28 8.213 -4.397 -4.395
172 HA ILE 28 HA ILE 28 9.771 -5.842 -2.521
173 HB ILE 28 HB ILE 28 10.732 -4.449 -5.060
174 HG12 ILE 28 HG12 ILE 28 9.885 -7.327 -4.641
175 HG13 ILE 28 HG11 ILE 28 8.913 -6.106 -5.448
176 HG21 ILE 28 HG21 ILE 28 12.000 -6.690 -3.473
177 HG22 ILE 28 HG22 ILE 28 12.556 -5.021 -3.515
178 HG23 ILE 28 HG23 ILE 28 12.617 -6.006 -4.979
179 HD11 ILE 28 HD11 ILE 28 10.006 -7.541 -7.058
180 HD12 ILE 28 HD12 ILE 28 11.581 -7.154 -6.365
181 HD13 ILE 28 HD13 ILE 28 10.642 -5.901 -7.175
182 H ALA 29 H ALA 29 10.257 -2.602 -3.898
183 HA ALA 29 HA ALA 29 11.706 -1.857 -1.465
184 HB1 ALA 29 HB1 ALA 29 12.468 0.100 -2.750
185 HB2 ALA 29 HB2 ALA 29 11.530 -0.444 -4.137
186 HB3 ALA 29 HB3 ALA 29 12.902 -1.398 -3.574
187 HA PRO 30 HA PRO 30 7.744 -0.012 -0.381
188 HB2 PRO 30 HB2 PRO 30 9.477 1.211 1.713
189 HB3 PRO 30 HB1 PRO 30 7.933 0.367 1.892
190 HG2 PRO 30 HG2 PRO 30 10.160 -0.864 2.579
191 HG3 PRO 30 HG1 PRO 30 8.910 -1.739 1.676
192 HD2 PRO 30 HD2 PRO 30 11.473 -0.550 0.666
193 HD3 PRO 30 HD1 PRO 30 10.731 -2.122 0.292
194 H CYS 31 H CYS 31 6.861 1.892 -0.774
195 HA CYS 31 HA CYS 31 8.271 3.857 -2.286
196 HB2 CYS 31 HB2 CYS 31 5.945 4.821 -2.349
197 HB3 CYS 31 HB1 CYS 31 6.098 3.161 -2.943
198 H LYS 32 H LYS 32 7.763 3.412 0.992
199 HA LYS 32 HA LYS 32 7.644 6.274 1.573
200 HB2 LYS 32 HB2 LYS 32 7.258 3.935 3.454
201 HB3 LYS 32 HB1 LYS 32 6.948 5.629 3.806
202 HG2 LYS 32 HG2 LYS 32 5.171 5.636 2.106
203 HG3 LYS 32 HG1 LYS 32 5.459 3.920 1.828
204 HD2 LYS 32 HD2 LYS 32 4.916 3.487 4.198
205 HD3 LYS 32 HD1 LYS 32 4.544 5.201 4.397
206 HE2 LYS 32 HE2 LYS 32 2.836 4.996 2.626
207 HE3 LYS 32 HE1 LYS 32 3.166 3.268 2.541
208 HZ1 LYS 32 HZ1 LYS 32 2.525 3.121 4.911
209 HZ2 LYS 32 HZ2 LYS 32 1.261 3.674 3.940
210 HZ3 LYS 32 HZ3 LYS 32 2.103 4.749 4.878
Start of MODEL 5
1 H1 CYS 1 HT1 CYS 1 -6.511 4.281 7.673
2 H2 CYS 1 HT2 CYS 1 -7.332 5.049 6.418
3 H3 CYS 1 HT3 CYS 1 -6.081 5.860 7.208
4 HA CYS 1 HA CYS 1 -5.440 5.038 5.062
5 HB2 CYS 1 HB2 CYS 1 -3.440 3.777 5.761
6 HB3 CYS 1 HB1 CYS 1 -3.738 5.148 6.821
7 H ALA 2 H ALA 2 -5.180 3.271 3.658
8 HA ALA 2 HA ALA 2 -7.150 1.195 4.098
9 HB1 ALA 2 HB1 ALA 2 -6.787 0.674 1.741
10 HB2 ALA 2 HB2 ALA 2 -5.457 1.829 1.688
11 HB3 ALA 2 HB3 ALA 2 -7.104 2.392 1.966
12 H VAL 3 H VAL 3 -6.707 -0.871 4.407
13 HA VAL 3 HA VAL 3 -3.931 -1.515 5.043
14 HB VAL 3 HB VAL 3 -4.815 -3.592 6.066
15 HG11 VAL 3 HG11 VAL 3 -4.571 -1.613 7.442
16 HG12 VAL 3 HG12 VAL 3 -5.972 -2.555 7.949
17 HG13 VAL 3 3HG1 VAL 3 -6.195 -1.086 6.998
18 HG21 VAL 3 HG21 VAL 3 -7.508 -2.480 5.299
19 HG22 VAL 3 HG22 VAL 3 -7.244 -3.895 6.326
20 HG23 VAL 3 HG23 VAL 3 -6.750 -3.918 4.628
21 H THR 4 H THR 4 -3.629 -4.112 4.633
22 HA THR 4 HA THR 4 -3.046 -4.336 1.944
23 HB THR 4 HB THR 4 -3.479 -6.622 3.886
24 HG1 THR 4 HG1 THR 4 -0.911 -5.824 3.713
25 HG21 THR 4 HG21 THR 4 -1.606 -6.265 1.533
26 HG22 THR 4 HG22 THR 4 -3.058 -7.265 1.538
27 HG23 THR 4 HG23 THR 4 -1.689 -7.692 2.568
28 H HIS 5 H HIS 5 -4.154 -4.977 0.253
29 HA HIS 5 HA HIS 5 -5.660 -5.897 -1.121
30 HB2 HIS 5 HB2 HIS 5 -7.062 -6.986 1.329
31 HB3 HIS 5 HB1 HIS 5 -7.626 -7.247 -0.315
32 HD1 HIS 5 HD1 HIS 5 -5.609 -8.813 2.239
33 HD2 HIS 5 HD2 HIS 5 -5.519 -8.624 -1.915
34 HE1 HIS 5 HE1 HIS 5 -4.255 -10.776 1.486
35 H GLU 6 H GLU 6 -6.403 -3.552 1.184
36 HA GLU 6 HA GLU 6 -8.966 -2.941 0.042
37 HB2 GLU 6 HB2 GLU 6 -7.183 -1.381 1.901
38 HB3 GLU 6 HB1 GLU 6 -8.708 -0.741 1.287
39 HG2 GLU 6 HG2 GLU 6 -9.698 -2.861 2.353
40 HG3 GLU 6 HG1 GLU 6 -8.158 -2.950 3.209
41 H LYS 7 H LYS 7 -9.418 -1.023 -1.120
42 HA LYS 7 HA LYS 7 -7.700 -0.605 -3.312
43 HB2 LYS 7 HB2 LYS 7 -9.287 1.123 -3.995
44 HB3 LYS 7 HB1 LYS 7 -10.135 -0.314 -3.445
45 HG2 LYS 7 HG2 LYS 7 -10.573 0.824 -1.275
46 HG3 LYS 7 HG1 LYS 7 -9.770 2.258 -1.902
47 HD2 LYS 7 HD2 LYS 7 -12.152 2.547 -2.133
48 HD3 LYS 7 HD1 LYS 7 -11.451 2.339 -3.737
49 HE2 LYS 7 HE2 LYS 7 -12.096 -0.070 -3.632
50 HE3 LYS 7 HE1 LYS 7 -12.903 0.257 -2.103
51 HZ1 LYS 7 HZ1 LYS 7 -14.444 0.272 -3.949
52 HZ2 LYS 7 HZ2 LYS 7 -13.564 1.475 -4.718
53 HZ3 LYS 7 HZ3 LYS 7 -14.359 1.815 -3.269
54 H CYS 8 H CYS 8 -6.366 1.176 -3.807
55 HA CYS 8 HA CYS 8 -5.746 2.812 -1.460
56 HB2 CYS 8 HB2 CYS 8 -3.445 2.942 -2.367
57 HB3 CYS 8 HB1 CYS 8 -3.928 1.310 -1.923
58 H SER 9 H SER 9 -5.710 4.942 -1.689
59 HA SER 9 HA SER 9 -6.413 6.024 -4.299
60 HB2 SER 9 HB2 SER 9 -6.139 7.398 -1.619
61 HB3 SER 9 HB1 SER 9 -6.876 8.076 -3.073
62 HG SER 9 HG SER 9 -7.787 5.750 -1.716
63 H ASP 10 H ASP 10 -3.738 5.597 -2.197
64 HA ASP 10 HA ASP 10 -1.860 6.872 -3.923
65 HB2 ASP 10 HB2 ASP 10 -2.898 8.798 -2.577
66 HB3 ASP 10 HB1 ASP 10 -2.276 8.004 -1.138
67 H ASP 11 H ASP 11 0.319 6.558 -2.815
68 HA ASP 11 HA ASP 11 0.496 3.962 -1.596
69 HB2 ASP 11 HB2 ASP 11 2.608 6.109 -2.011
70 HB3 ASP 11 HB1 ASP 11 2.952 4.537 -1.310
71 H TYR 12 H TYR 12 0.568 7.277 -0.548
72 HA TYR 12 HA TYR 12 1.203 6.566 2.179
73 HB2 TYR 12 HB2 TYR 12 0.547 9.244 0.936
74 HB3 TYR 12 HB1 TYR 12 1.085 8.987 2.596
75 HD1 TYR 12 HD1 TYR 12 2.130 9.583 -0.748
76 HD2 TYR 12 HD2 TYR 12 3.361 7.811 2.910
77 HE1 TYR 12 HE1 TYR 12 4.462 9.666 -1.502
78 HE2 TYR 12 HE2 TYR 12 5.704 7.900 2.169
79 HH TYR 12 HH TYR 12 6.930 7.946 -0.086
80 H ASP 13 H ASP 13 -1.406 6.235 0.433
81 HA ASP 13 HA ASP 13 -3.353 7.010 2.473
82 HB2 ASP 13 HB2 ASP 13 -3.999 7.505 0.192
83 HB3 ASP 13 HB1 ASP 13 -3.594 5.883 -0.330
84 H CYS 14 H CYS 14 -1.358 4.488 1.593
85 HA CYS 14 HA CYS 14 -3.010 2.376 2.703
86 HB2 CYS 14 HB2 CYS 14 -0.247 2.322 1.482
87 HB3 CYS 14 HB1 CYS 14 -1.165 0.914 2.014
88 H CYS 15 H CYS 15 -2.553 1.334 4.574
89 HA CYS 15 HA CYS 15 -1.413 2.790 6.685
90 HB2 CYS 15 HB2 CYS 15 -2.093 -0.132 6.509
91 HB3 CYS 15 HB1 CYS 15 -1.748 0.725 8.002
92 H GLY 16 H GLY 16 0.411 2.547 7.859
93 HA2 GLY 16 HA2 GLY 16 2.566 2.147 8.384
94 HA3 GLY 16 HA1 GLY 16 2.206 0.485 8.005
95 H SER 17 H SER 17 3.355 -0.424 6.444
96 HA SER 17 HA SER 17 5.185 1.292 4.962
97 HB2 SER 17 HB2 SER 17 6.355 -0.997 4.737
98 HB3 SER 17 HB1 SER 17 6.373 -0.182 6.305
99 HG SER 17 HG SER 17 5.261 -2.566 5.617
100 H LEU 18 H LEU 18 2.293 0.001 4.382
101 HA LEU 18 HA LEU 18 2.698 -1.572 2.041
102 HB2 LEU 18 HB2 LEU 18 0.272 -0.095 2.994
103 HB3 LEU 18 HB1 LEU 18 0.284 -1.276 1.696
104 HG LEU 18 HG LEU 18 0.881 -1.818 4.601
105 HD11 LEU 18 HD11 LEU 18 -1.448 -1.290 4.195
106 HD12 LEU 18 HD12 LEU 18 -1.250 -3.012 4.538
107 HD13 LEU 18 HD13 LEU 18 -1.495 -2.464 2.882
108 HD21 LEU 18 HD21 LEU 18 2.116 -3.321 3.123
109 HD22 LEU 18 HD22 LEU 18 0.628 -3.696 2.252
110 HD23 LEU 18 HD23 LEU 18 0.805 -4.164 3.945
111 H CYS 19 H CYS 19 2.159 -1.047 -0.081
112 HA CYS 19 HA CYS 19 2.247 1.800 -0.721
113 HB2 CYS 19 HB2 CYS 19 3.618 -0.477 -2.171
114 HB3 CYS 19 HB1 CYS 19 3.514 1.177 -2.764
115 H CYS 20 H CYS 20 1.480 2.106 -3.061
116 HA CYS 20 HA CYS 20 -1.126 0.794 -3.189
117 HB2 CYS 20 HB2 CYS 20 -1.146 3.206 -2.945
118 HB3 CYS 20 HB1 CYS 20 -0.097 3.386 -4.340
119 H VAL 21 H VAL 21 -1.318 -0.763 -4.612
120 HA VAL 21 HA VAL 21 -0.185 -0.419 -7.296
121 HB VAL 21 HB VAL 21 0.131 -2.923 -7.418
122 HG11 VAL 21 HG11 VAL 21 1.732 -1.519 -5.293
123 HG12 VAL 21 HG12 VAL 21 2.063 -1.543 -7.028
124 HG13 VAL 21 3HG1 VAL 21 2.195 -3.025 -6.079
125 HG21 VAL 21 HG21 VAL 21 0.256 -4.229 -5.332
126 HG22 VAL 21 HG22 VAL 21 -1.369 -3.601 -5.608
127 HG23 VAL 21 HG23 VAL 21 -0.315 -2.824 -4.429
128 H GLY 22 H GLY 22 -2.639 0.410 -6.448
129 HA2 GLY 22 HA2 GLY 22 -4.778 0.278 -7.529
130 HA3 GLY 22 HA1 GLY 22 -4.486 -1.447 -7.802
131 H ILE 23 H ILE 23 -3.623 -2.264 -5.554
132 HA ILE 23 HA ILE 23 -5.567 -1.574 -3.464
133 HB ILE 23 HB ILE 23 -5.344 -3.901 -2.622
134 HG12 ILE 23 HG12 ILE 23 -3.807 -4.449 -5.184
135 HG13 ILE 23 HG11 ILE 23 -3.093 -4.367 -3.580
136 HG21 ILE 23 HG21 ILE 23 -7.223 -3.388 -4.053
137 HG22 ILE 23 HG22 ILE 23 -6.666 -5.035 -4.358
138 HG23 ILE 23 HG23 ILE 23 -6.261 -3.744 -5.487
139 HD11 ILE 23 HD11 ILE 23 -5.133 -6.380 -4.504
140 HD12 ILE 23 HD12 ILE 23 -4.396 -6.318 -2.902
141 HD13 ILE 23 HD13 ILE 23 -3.403 -6.665 -4.317
142 H CYS 24 H CYS 24 -4.615 -1.811 -1.300
143 HA CYS 24 HA CYS 24 -1.864 -1.012 -1.282
144 HB2 CYS 24 HB2 CYS 24 -3.741 -1.636 1.000
145 HB3 CYS 24 HB1 CYS 24 -2.127 -0.959 1.180
146 H ALA 25 H ALA 25 -0.198 -2.261 -1.199
147 HA ALA 25 HA ALA 25 -0.346 -4.913 -0.027
148 HB1 ALA 25 HB1 ALA 25 0.432 -4.435 -2.905
149 HB2 ALA 25 HB2 ALA 25 -1.015 -5.278 -2.351
150 HB3 ALA 25 HB3 ALA 25 0.580 -5.968 -2.048
151 H LYS 26 H LYS 26 1.880 -5.896 -0.091
152 HA LYS 26 HA LYS 26 3.805 -3.858 0.654
153 HB2 LYS 26 HB2 LYS 26 3.440 -5.806 2.128
154 HB3 LYS 26 HB1 LYS 26 3.890 -6.873 0.808
155 HG2 LYS 26 HG2 LYS 26 6.156 -5.905 0.818
156 HG3 LYS 26 HG1 LYS 26 5.695 -4.883 2.177
157 HD2 LYS 26 HD2 LYS 26 6.917 -6.833 2.969
158 HD3 LYS 26 HD1 LYS 26 5.247 -6.900 3.524
159 HE2 LYS 26 HE2 LYS 26 4.701 -8.494 1.759
160 HE3 LYS 26 HE1 LYS 26 6.342 -8.376 1.125
161 HZ1 LYS 26 HZ1 LYS 26 6.043 -10.351 2.477
162 HZ2 LYS 26 HZ2 LYS 26 5.606 -9.405 3.814
163 HZ3 LYS 26 HZ3 LYS 26 7.152 -9.307 3.195
164 H THR 27 H THR 27 5.458 -3.301 -0.673
165 HA THR 27 HA THR 27 5.880 -4.956 -3.023
166 HB THR 27 HB THR 27 6.879 -2.805 -3.972
167 HG1 THR 27 HG1 THR 27 7.142 -1.493 -2.273
168 HG21 THR 27 HG21 THR 27 3.943 -2.823 -3.253
169 HG22 THR 27 HG22 THR 27 4.675 -3.591 -4.665
170 HG23 THR 27 HG23 THR 27 4.673 -1.836 -4.518
171 H ILE 28 H ILE 28 8.093 -5.237 -3.713
172 HA ILE 28 HA ILE 28 9.882 -5.748 -1.579
173 HB ILE 28 HB ILE 28 10.529 -5.534 -4.548
174 HG12 ILE 28 HG12 ILE 28 9.784 -7.982 -2.925
175 HG13 ILE 28 HG11 ILE 28 8.709 -7.163 -4.048
176 HG21 ILE 28 HG21 ILE 28 11.989 -6.962 -2.318
177 HG22 ILE 28 HG22 ILE 28 12.518 -5.478 -3.104
178 HG23 ILE 28 HG23 ILE 28 12.441 -6.984 -4.023
179 HD11 ILE 28 HD11 ILE 28 11.290 -8.549 -4.749
180 HD12 ILE 28 HD12 ILE 28 10.224 -7.726 -5.887
181 HD13 ILE 28 HD13 ILE 28 9.662 -9.164 -5.035
182 H ALA 29 H ALA 29 9.675 -3.266 -4.023
183 HA ALA 29 HA ALA 29 11.778 -1.683 -2.835
184 HB1 ALA 29 HB1 ALA 29 9.872 -1.094 -5.099
185 HB2 ALA 29 HB2 ALA 29 11.503 -1.740 -5.269
186 HB3 ALA 29 HB3 ALA 29 11.259 -0.109 -4.635
187 HA PRO 30 HA PRO 30 8.704 0.258 -0.241
188 HB2 PRO 30 HB2 PRO 30 10.315 1.955 1.066
189 HB3 PRO 30 HB1 PRO 30 10.381 0.214 1.366
190 HG2 PRO 30 HG2 PRO 30 12.163 1.912 -0.325
191 HG3 PRO 30 HG1 PRO 30 12.614 0.615 0.791
192 HD2 PRO 30 HD2 PRO 30 12.423 0.306 -1.921
193 HD3 PRO 30 HD1 PRO 30 12.187 -1.022 -0.771
194 H CYS 31 H CYS 31 7.454 2.075 -0.392
195 HA CYS 31 HA CYS 31 8.241 4.035 -2.426
196 HB2 CYS 31 HB2 CYS 31 5.794 4.561 -2.447
197 HB3 CYS 31 HB1 CYS 31 6.168 2.900 -2.899
198 H LYS 32 H LYS 32 8.117 3.618 0.859
199 HA LYS 32 HA LYS 32 7.688 6.463 1.351
200 HB2 LYS 32 HB2 LYS 32 7.381 4.150 3.273
201 HB3 LYS 32 HB1 LYS 32 7.040 5.841 3.620
202 HG2 LYS 32 HG2 LYS 32 5.267 5.790 1.877
203 HG3 LYS 32 HG1 LYS 32 5.569 4.066 1.679
204 HD2 LYS 32 HD2 LYS 32 4.982 3.693 4.017
205 HD3 LYS 32 HD1 LYS 32 4.712 5.425 4.217
206 HE2 LYS 32 HE2 LYS 32 2.948 5.292 2.465
207 HE3 LYS 32 HE1 LYS 32 3.169 3.545 2.427
208 HZ1 LYS 32 HZ1 LYS 32 2.609 3.522 4.813
209 HZ2 LYS 32 HZ2 LYS 32 1.319 4.066 3.874
210 HZ3 LYS 32 HZ3 LYS 32 2.243 5.159 4.744
Start of MODEL 6
1 H1 CYS 1 HT1 CYS 1 -7.581 5.126 6.984
2 H2 CYS 1 HT2 CYS 1 -6.211 5.986 7.525
3 H3 CYS 1 HT3 CYS 1 -6.440 4.374 7.951
4 HA CYS 1 HA CYS 1 -6.093 5.277 5.209
5 HB2 CYS 1 HB2 CYS 1 -3.843 4.138 5.414
6 HB3 CYS 1 HB1 CYS 1 -3.991 5.650 6.288
7 H ALA 2 H ALA 2 -5.366 3.348 3.865
8 HA ALA 2 HA ALA 2 -7.245 1.189 4.371
9 HB1 ALA 2 HB1 ALA 2 -6.855 0.610 2.031
10 HB2 ALA 2 HB2 ALA 2 -5.604 1.849 1.930
11 HB3 ALA 2 HB3 ALA 2 -7.284 2.310 2.203
12 H VAL 3 H VAL 3 -6.662 -0.880 4.605
13 HA VAL 3 HA VAL 3 -3.867 -1.390 5.323
14 HB VAL 3 HB VAL 3 -4.680 -3.448 6.376
15 HG11 VAL 3 HG11 VAL 3 -6.060 -2.449 8.143
16 HG12 VAL 3 HG12 VAL 3 -6.298 -1.024 7.129
17 HG13 VAL 3 3HG1 VAL 3 -4.686 -1.435 7.708
18 HG21 VAL 3 HG21 VAL 3 -7.387 -2.595 5.348
19 HG22 VAL 3 HG22 VAL 3 -7.115 -3.934 6.474
20 HG23 VAL 3 HG23 VAL 3 -6.471 -4.001 4.830
21 H THR 4 H THR 4 -3.493 -4.031 4.908
22 HA THR 4 HA THR 4 -2.903 -4.151 2.163
23 HB THR 4 HB THR 4 -3.048 -6.491 4.106
24 HG1 THR 4 HG1 THR 4 -1.667 -4.994 4.966
25 HG21 THR 4 HG21 THR 4 -1.436 -6.084 1.579
26 HG22 THR 4 HG22 THR 4 -2.840 -7.139 1.743
27 HG23 THR 4 HG23 THR 4 -1.361 -7.497 2.633
28 H HIS 5 H HIS 5 -4.030 -4.812 0.500
29 HA HIS 5 HA HIS 5 -5.465 -5.851 -0.843
30 HB2 HIS 5 HB2 HIS 5 -6.637 -7.202 1.597
31 HB3 HIS 5 HB1 HIS 5 -7.214 -7.486 -0.042
32 HD1 HIS 5 HD1 HIS 5 -5.052 -8.986 2.350
33 HD2 HIS 5 HD2 HIS 5 -4.836 -8.302 -1.741
34 HE1 HIS 5 HE1 HIS 5 -3.316 -10.564 1.475
35 H GLU 6 H GLU 6 -6.201 -3.489 1.234
36 HA GLU 6 HA GLU 6 -8.852 -3.073 0.134
37 HB2 GLU 6 HB2 GLU 6 -7.109 -1.454 1.990
38 HB3 GLU 6 HB1 GLU 6 -8.604 -0.790 1.310
39 HG2 GLU 6 HG2 GLU 6 -9.700 -2.800 2.412
40 HG3 GLU 6 HG1 GLU 6 -8.164 -3.020 3.253
41 H LYS 7 H LYS 7 -9.295 -1.221 -1.208
42 HA LYS 7 HA LYS 7 -7.319 -0.936 -3.249
43 HB2 LYS 7 HB2 LYS 7 -8.939 0.554 -4.359
44 HB3 LYS 7 HB1 LYS 7 -9.686 -0.947 -3.841
45 HG2 LYS 7 HG2 LYS 7 -10.601 0.218 -1.886
46 HG3 LYS 7 HG1 LYS 7 -9.897 1.722 -2.476
47 HD2 LYS 7 HD2 LYS 7 -11.230 1.538 -4.520
48 HD3 LYS 7 HD1 LYS 7 -11.933 0.035 -3.921
49 HE2 LYS 7 HE2 LYS 7 -12.892 1.227 -2.025
50 HE3 LYS 7 HE1 LYS 7 -12.159 2.725 -2.589
51 HZ1 LYS 7 HZ1 LYS 7 -13.511 2.586 -4.589
52 HZ2 LYS 7 HZ2 LYS 7 -14.462 2.599 -3.200
53 HZ3 LYS 7 HZ3 LYS 7 -14.225 1.155 -4.035
54 H CYS 8 H CYS 8 -6.253 1.019 -3.918
55 HA CYS 8 HA CYS 8 -5.840 2.822 -1.638
56 HB2 CYS 8 HB2 CYS 8 -3.525 3.055 -2.487
57 HB3 CYS 8 HB1 CYS 8 -3.926 1.436 -1.929
58 H SER 9 H SER 9 -5.884 4.954 -1.967
59 HA SER 9 HA SER 9 -6.388 5.950 -4.666
60 HB2 SER 9 HB2 SER 9 -6.320 7.437 -2.024
61 HB3 SER 9 HB1 SER 9 -6.990 8.022 -3.549
62 HG SER 9 HG SER 9 -8.073 6.422 -1.650
63 H ASP 10 H ASP 10 -3.958 5.743 -2.219
64 HA ASP 10 HA ASP 10 -1.925 6.827 -3.908
65 HB2 ASP 10 HB2 ASP 10 -2.810 8.908 -2.954
66 HB3 ASP 10 HB1 ASP 10 -2.693 8.219 -1.336
67 H ASP 11 H ASP 11 0.152 6.620 -2.751
68 HA ASP 11 HA ASP 11 0.365 4.042 -1.570
69 HB2 ASP 11 HB2 ASP 11 2.419 6.252 -1.732
70 HB3 ASP 11 HB1 ASP 11 2.758 4.596 -1.243
71 H TYR 12 H TYR 12 0.407 7.314 -0.262
72 HA TYR 12 HA TYR 12 1.031 6.324 2.369
73 HB2 TYR 12 HB2 TYR 12 0.427 9.117 1.370
74 HB3 TYR 12 HB1 TYR 12 0.877 8.730 3.028
75 HD1 TYR 12 HD1 TYR 12 2.099 8.735 -0.475
76 HD2 TYR 12 HD2 TYR 12 3.175 8.394 3.626
77 HE1 TYR 12 HE1 TYR 12 4.468 8.940 -1.090
78 HE2 TYR 12 HE2 TYR 12 5.555 8.596 3.016
79 HH TYR 12 HH TYR 12 6.546 9.663 -0.023
80 H ASP 13 H ASP 13 -1.653 6.567 0.488
81 HA ASP 13 HA ASP 13 -3.656 7.057 2.487
82 HB2 ASP 13 HB2 ASP 13 -4.225 7.511 0.191
83 HB3 ASP 13 HB1 ASP 13 -3.683 5.927 -0.323
84 H CYS 14 H CYS 14 -1.690 4.502 1.501
85 HA CYS 14 HA CYS 14 -3.228 2.420 2.812
86 HB2 CYS 14 HB2 CYS 14 -0.486 2.356 1.547
87 HB3 CYS 14 HB1 CYS 14 -1.449 0.969 2.053
88 H CYS 15 H CYS 15 -2.625 1.535 4.740
89 HA CYS 15 HA CYS 15 -1.207 3.132 6.607
90 HB2 CYS 15 HB2 CYS 15 -2.099 0.259 6.807
91 HB3 CYS 15 HB1 CYS 15 -1.648 1.301 8.154
92 H GLY 16 H GLY 16 0.693 2.526 7.829
93 HA2 GLY 16 HA2 GLY 16 2.778 1.717 8.176
94 HA3 GLY 16 HA1 GLY 16 2.228 0.245 7.398
95 H SER 17 H SER 17 3.878 -0.260 6.137
96 HA SER 17 HA SER 17 5.166 1.759 4.493
97 HB2 SER 17 HB2 SER 17 6.769 -0.166 4.123
98 HB3 SER 17 HB1 SER 17 6.657 0.443 5.778
99 HG SER 17 HG SER 17 5.791 -1.348 6.410
100 H LEU 18 H LEU 18 2.452 0.295 4.073
101 HA LEU 18 HA LEU 18 2.790 -1.336 1.754
102 HB2 LEU 18 HB2 LEU 18 0.355 0.118 2.747
103 HB3 LEU 18 HB1 LEU 18 0.364 -1.132 1.520
104 HG LEU 18 HG LEU 18 1.078 -1.502 4.423
105 HD11 LEU 18 HD11 LEU 18 -1.015 -2.751 4.520
106 HD12 LEU 18 HD12 LEU 18 -1.358 -2.296 2.852
107 HD13 LEU 18 HD13 LEU 18 -1.274 -1.058 4.106
108 HD21 LEU 18 HD21 LEU 18 2.301 -3.052 2.996
109 HD22 LEU 18 HD22 LEU 18 0.802 -3.502 2.183
110 HD23 LEU 18 HD23 LEU 18 1.031 -3.890 3.888
111 H CYS 19 H CYS 19 2.278 -0.821 -0.370
112 HA CYS 19 HA CYS 19 2.240 2.034 -0.970
113 HB2 CYS 19 HB2 CYS 19 3.725 -0.156 -2.442
114 HB3 CYS 19 HB1 CYS 19 3.588 1.511 -2.991
115 H CYS 20 H CYS 20 1.457 2.354 -3.265
116 HA CYS 20 HA CYS 20 -1.062 0.914 -3.409
117 HB2 CYS 20 HB2 CYS 20 -1.062 3.372 -3.217
118 HB3 CYS 20 HB1 CYS 20 -0.148 3.476 -4.712
119 H VAL 21 H VAL 21 -1.218 -0.663 -4.779
120 HA VAL 21 HA VAL 21 -0.090 -0.454 -7.475
121 HB VAL 21 HB VAL 21 0.363 -2.968 -7.400
122 HG11 VAL 21 HG11 VAL 21 2.514 -2.804 -6.222
123 HG12 VAL 21 HG12 VAL 21 1.996 -1.276 -5.510
124 HG13 VAL 21 3HG1 VAL 21 2.215 -1.405 -7.255
125 HG21 VAL 21 HG21 VAL 21 -0.991 -3.529 -5.436
126 HG22 VAL 21 HG22 VAL 21 0.082 -2.577 -4.411
127 HG23 VAL 21 HG23 VAL 21 0.683 -4.034 -5.203
128 H GLY 22 H GLY 22 -2.537 0.306 -6.845
129 HA2 GLY 22 HA2 GLY 22 -4.663 -0.097 -7.812
130 HA3 GLY 22 HA1 GLY 22 -4.286 -1.825 -7.862
131 H ILE 23 H ILE 23 -3.462 -2.451 -5.572
132 HA ILE 23 HA ILE 23 -5.390 -1.533 -3.558
133 HB ILE 23 HB ILE 23 -5.131 -3.755 -2.466
134 HG12 ILE 23 HG12 ILE 23 -3.738 -4.593 -5.029
135 HG13 ILE 23 HG11 ILE 23 -2.925 -4.311 -3.498
136 HG21 ILE 23 HG21 ILE 23 -6.199 -3.849 -5.280
137 HG22 ILE 23 HG22 ILE 23 -7.078 -3.361 -3.830
138 HG23 ILE 23 HG23 ILE 23 -6.546 -5.032 -4.019
139 HD11 ILE 23 HD11 ILE 23 -5.022 -6.410 -4.000
140 HD12 ILE 23 HD12 ILE 23 -4.129 -6.163 -2.497
141 HD13 ILE 23 HD13 ILE 23 -3.282 -6.687 -3.951
142 H CYS 24 H CYS 24 -4.508 -1.797 -1.352
143 HA CYS 24 HA CYS 24 -1.811 -0.842 -1.191
144 HB2 CYS 24 HB2 CYS 24 -3.807 -1.609 0.943
145 HB3 CYS 24 HB1 CYS 24 -2.256 -0.831 1.245
146 H ALA 25 H ALA 25 -0.136 -2.156 -1.240
147 HA ALA 25 HA ALA 25 -0.244 -4.681 0.167
148 HB1 ALA 25 HB1 ALA 25 0.371 -4.536 -2.785
149 HB2 ALA 25 HB2 ALA 25 -1.065 -5.262 -2.066
150 HB3 ALA 25 HB3 ALA 25 0.523 -5.969 -1.770
151 H LYS 26 H LYS 26 1.898 -5.723 0.111
152 HA LYS 26 HA LYS 26 3.989 -3.789 0.559
153 HB2 LYS 26 HB2 LYS 26 3.661 -5.718 2.075
154 HB3 LYS 26 HB1 LYS 26 3.937 -6.813 0.740
155 HG2 LYS 26 HG2 LYS 26 5.953 -6.794 1.941
156 HG3 LYS 26 HG1 LYS 26 6.237 -5.781 0.531
157 HD2 LYS 26 HD2 LYS 26 7.211 -4.742 2.494
158 HD3 LYS 26 HD1 LYS 26 5.842 -3.773 1.942
159 HE2 LYS 26 HE2 LYS 26 4.450 -4.595 3.674
160 HE3 LYS 26 HE1 LYS 26 5.597 -5.873 4.068
161 HZ1 LYS 26 HZ1 LYS 26 7.130 -4.158 4.849
162 HZ2 LYS 26 HZ2 LYS 26 5.706 -4.189 5.690
163 HZ3 LYS 26 HZ3 LYS 26 5.978 -2.943 4.604
164 H THR 27 H THR 27 5.315 -3.190 -1.058
165 HA THR 27 HA THR 27 5.375 -4.644 -3.525
166 HB THR 27 HB THR 27 6.874 -2.626 -4.069
167 HG1 THR 27 HG1 THR 27 7.175 -1.225 -2.519
168 HG21 THR 27 HG21 THR 27 4.910 -1.137 -4.288
169 HG22 THR 27 HG22 THR 27 3.997 -2.204 -3.217
170 HG23 THR 27 HG23 THR 27 4.534 -2.782 -4.792
171 H ILE 28 H ILE 28 7.869 -4.377 -4.476
172 HA ILE 28 HA ILE 28 9.477 -6.126 -2.878
173 HB ILE 28 HB ILE 28 10.321 -4.519 -5.331
174 HG12 ILE 28 HG12 ILE 28 9.269 -7.359 -5.225
175 HG13 ILE 28 HG11 ILE 28 8.333 -5.974 -5.772
176 HG21 ILE 28 HG21 ILE 28 12.051 -6.239 -5.583
177 HG22 ILE 28 HG22 ILE 28 11.492 -7.018 -4.105
178 HG23 ILE 28 HG23 ILE 28 12.191 -5.401 -4.036
179 HD11 ILE 28 HD11 ILE 28 10.841 -7.048 -7.050
180 HD12 ILE 28 HD12 ILE 28 9.916 -5.656 -7.614
181 HD13 ILE 28 HD13 ILE 28 9.193 -7.265 -7.640
182 H ALA 29 H ALA 29 9.804 -2.805 -4.035
183 HA ALA 29 HA ALA 29 11.591 -2.190 -1.791
184 HB1 ALA 29 HB1 ALA 29 12.502 -1.661 -4.001
185 HB2 ALA 29 HB2 ALA 29 12.189 -0.184 -3.093
186 HB3 ALA 29 HB3 ALA 29 11.078 -0.690 -4.364
187 HA PRO 30 HA PRO 30 8.073 -0.006 -0.189
188 HB2 PRO 30 HB2 PRO 30 9.291 1.283 1.864
189 HB3 PRO 30 HB1 PRO 30 8.905 -0.440 1.914
190 HG2 PRO 30 HG2 PRO 30 11.517 0.901 1.404
191 HG3 PRO 30 HG1 PRO 30 11.175 -0.602 2.274
192 HD2 PRO 30 HD2 PRO 30 12.119 -0.470 -0.314
193 HD3 PRO 30 HD1 PRO 30 11.242 -1.851 0.372
194 H CYS 31 H CYS 31 7.158 1.866 -0.728
195 HA CYS 31 HA CYS 31 8.682 3.911 -2.070
196 HB2 CYS 31 HB2 CYS 31 6.397 4.855 -2.448
197 HB3 CYS 31 HB1 CYS 31 6.572 3.191 -3.005
198 H LYS 32 H LYS 32 8.393 3.284 1.022
199 HA LYS 32 HA LYS 32 8.130 6.070 1.854
200 HB2 LYS 32 HB2 LYS 32 7.083 3.584 3.214
201 HB3 LYS 32 HB1 LYS 32 7.137 5.172 3.967
202 HG2 LYS 32 HG2 LYS 32 5.530 6.043 2.485
203 HG3 LYS 32 HG1 LYS 32 5.684 4.665 1.393
204 HD2 LYS 32 HD2 LYS 32 4.700 3.210 3.023
205 HD3 LYS 32 HD1 LYS 32 4.654 4.511 4.215
206 HE2 LYS 32 HE2 LYS 32 3.060 5.719 2.906
207 HE3 LYS 32 HE1 LYS 32 3.220 4.577 1.572
208 HZ1 LYS 32 HZ1 LYS 32 1.221 4.233 2.990
209 HZ2 LYS 32 HZ2 LYS 32 2.241 3.798 4.263
210 HZ3 LYS 32 HZ3 LYS 32 2.228 2.904 2.817
Start of MODEL 7
1 H1 CYS 1 HT1 CYS 1 -6.062 4.627 7.780
2 H2 CYS 1 HT2 CYS 1 -7.202 5.360 6.804
3 H3 CYS 1 HT3 CYS 1 -5.794 6.209 7.263
4 HA CYS 1 HA CYS 1 -5.645 5.408 5.000
5 HB2 CYS 1 HB2 CYS 1 -3.527 4.063 5.316
6 HB3 CYS 1 HB1 CYS 1 -3.570 5.587 6.189
7 H ALA 2 H ALA 2 -5.318 3.441 3.639
8 HA ALA 2 HA ALA 2 -7.363 1.501 4.299
9 HB1 ALA 2 HB1 ALA 2 -7.307 2.469 2.061
10 HB2 ALA 2 HB2 ALA 2 -7.051 0.726 1.996
11 HB3 ALA 2 HB3 ALA 2 -5.684 1.827 1.811
12 H VAL 3 H VAL 3 -7.021 -0.695 4.425
13 HA VAL 3 HA VAL 3 -4.331 -1.381 5.326
14 HB VAL 3 HB VAL 3 -5.330 -3.364 6.377
15 HG11 VAL 3 HG11 VAL 3 -6.669 -2.241 8.086
16 HG12 VAL 3 HG12 VAL 3 -6.766 -0.814 7.051
17 HG13 VAL 3 3HG1 VAL 3 -5.207 -1.344 7.678
18 HG21 VAL 3 HG21 VAL 3 -7.796 -3.634 6.444
19 HG22 VAL 3 HG22 VAL 3 -7.117 -3.826 4.824
20 HG23 VAL 3 HG23 VAL 3 -7.932 -2.333 5.252
21 H THR 4 H THR 4 -4.150 -4.004 5.012
22 HA THR 4 HA THR 4 -3.309 -4.284 2.361
23 HB THR 4 HB THR 4 -3.898 -6.526 4.320
24 HG1 THR 4 HG1 THR 4 -2.448 -4.727 5.020
25 HG21 THR 4 HG21 THR 4 -2.125 -7.709 3.091
26 HG22 THR 4 HG22 THR 4 -1.962 -6.327 2.004
27 HG23 THR 4 HG23 THR 4 -3.451 -7.269 2.012
28 H HIS 5 H HIS 5 -4.238 -4.997 0.591
29 HA HIS 5 HA HIS 5 -5.602 -5.951 -0.905
30 HB2 HIS 5 HB2 HIS 5 -7.168 -7.115 1.413
31 HB3 HIS 5 HB1 HIS 5 -7.473 -7.479 -0.278
32 HD1 HIS 5 HD1 HIS 5 -6.218 -9.231 2.350
33 HD2 HIS 5 HD2 HIS 5 -4.526 -8.222 -1.309
34 HE1 HIS 5 HE1 HIS 5 -4.381 -10.905 1.942
35 H GLU 6 H GLU 6 -6.427 -3.507 1.064
36 HA GLU 6 HA GLU 6 -8.985 -3.082 -0.237
37 HB2 GLU 6 HB2 GLU 6 -7.525 -1.442 1.848
38 HB3 GLU 6 HB1 GLU 6 -9.081 -0.994 1.144
39 HG2 GLU 6 HG2 GLU 6 -9.888 -3.219 2.051
40 HG3 GLU 6 HG1 GLU 6 -8.382 -3.250 2.967
41 H LYS 7 H LYS 7 -9.348 -1.336 -1.612
42 HA LYS 7 HA LYS 7 -7.251 -0.810 -3.411
43 HB2 LYS 7 HB2 LYS 7 -9.903 0.591 -3.129
44 HB3 LYS 7 HB1 LYS 7 -8.823 0.711 -4.513
45 HG2 LYS 7 HG2 LYS 7 -9.074 -1.643 -4.961
46 HG3 LYS 7 HG1 LYS 7 -10.093 -1.833 -3.543
47 HD2 LYS 7 HD2 LYS 7 -11.660 -0.163 -4.585
48 HD3 LYS 7 HD1 LYS 7 -10.677 -0.279 -6.044
49 HE2 LYS 7 HE2 LYS 7 -12.599 -1.748 -6.191
50 HE3 LYS 7 HE1 LYS 7 -11.104 -2.680 -6.149
51 HZ1 LYS 7 HZ1 LYS 7 -12.857 -2.198 -3.793
52 HZ2 LYS 7 HZ2 LYS 7 -11.489 -3.167 -3.819
53 HZ3 LYS 7 HZ3 LYS 7 -12.854 -3.603 -4.708
54 H CYS 8 H CYS 8 -6.156 1.087 -3.897
55 HA CYS 8 HA CYS 8 -5.894 2.868 -1.578
56 HB2 CYS 8 HB2 CYS 8 -3.518 3.066 -2.307
57 HB3 CYS 8 HB1 CYS 8 -3.983 1.467 -1.735
58 H SER 9 H SER 9 -5.562 5.019 -1.955
59 HA SER 9 HA SER 9 -6.099 5.951 -4.675
60 HB2 SER 9 HB2 SER 9 -6.059 7.483 -2.074
61 HB3 SER 9 HB1 SER 9 -6.674 8.060 -3.625
62 HG SER 9 HG SER 9 -7.929 6.733 -1.736
63 H ASP 10 H ASP 10 -3.567 5.565 -2.392
64 HA ASP 10 HA ASP 10 -1.584 6.744 -4.061
65 HB2 ASP 10 HB2 ASP 10 -2.605 8.787 -2.940
66 HB3 ASP 10 HB1 ASP 10 -2.148 8.096 -1.392
67 H ASP 11 H ASP 11 0.565 6.580 -2.790
68 HA ASP 11 HA ASP 11 0.690 3.981 -1.576
69 HB2 ASP 11 HB2 ASP 11 2.814 6.120 -1.913
70 HB3 ASP 11 HB1 ASP 11 3.121 4.513 -1.271
71 H TYR 12 H TYR 12 0.766 7.313 -0.546
72 HA TYR 12 HA TYR 12 1.349 6.618 2.194
73 HB2 TYR 12 HB2 TYR 12 0.704 9.263 0.872
74 HB3 TYR 12 HB1 TYR 12 1.102 9.079 2.577
75 HD1 TYR 12 HD1 TYR 12 3.366 8.600 3.275
76 HD2 TYR 12 HD2 TYR 12 2.432 8.988 -0.849
77 HE1 TYR 12 HE1 TYR 12 5.762 8.769 2.750
78 HE2 TYR 12 HE2 TYR 12 4.828 9.164 -1.383
79 HH TYR 12 HH TYR 12 6.886 9.761 -0.304
80 H ASP 13 H ASP 13 -1.231 6.256 0.372
81 HA ASP 13 HA ASP 13 -3.267 7.093 2.274
82 HB2 ASP 13 HB2 ASP 13 -3.768 7.457 -0.046
83 HB3 ASP 13 HB1 ASP 13 -3.318 5.815 -0.463
84 H CYS 14 H CYS 14 -1.268 4.475 1.641
85 HA CYS 14 HA CYS 14 -3.058 2.487 2.788
86 HB2 CYS 14 HB2 CYS 14 -0.298 2.234 1.591
87 HB3 CYS 14 HB1 CYS 14 -1.296 0.902 2.171
88 H CYS 15 H CYS 15 -2.553 1.363 4.664
89 HA CYS 15 HA CYS 15 -1.150 2.825 6.674
90 HB2 CYS 15 HB2 CYS 15 -2.305 0.039 6.747
91 HB3 CYS 15 HB1 CYS 15 -1.804 0.983 8.145
92 H GLY 16 H GLY 16 0.570 1.994 7.999
93 HA2 GLY 16 HA2 GLY 16 2.612 1.100 8.411
94 HA3 GLY 16 HA1 GLY 16 2.023 -0.334 7.590
95 H SER 17 H SER 17 3.626 -0.939 6.296
96 HA SER 17 HA SER 17 5.084 1.051 4.759
97 HB2 SER 17 HB2 SER 17 6.553 -1.012 4.368
98 HB3 SER 17 HB1 SER 17 6.509 -0.349 6.007
99 HG SER 17 HG SER 17 5.302 -2.688 4.993
100 H LEU 18 H LEU 18 2.299 -0.130 4.237
101 HA LEU 18 HA LEU 18 2.603 -1.707 1.855
102 HB2 LEU 18 HB2 LEU 18 0.194 -0.252 2.912
103 HB3 LEU 18 HB1 LEU 18 0.182 -1.437 1.623
104 HG LEU 18 HG LEU 18 0.803 -1.952 4.528
105 HD11 LEU 18 HD11 LEU 18 -1.308 -3.180 4.483
106 HD12 LEU 18 HD12 LEU 18 -1.576 -2.640 2.828
107 HD13 LEU 18 HD13 LEU 18 -1.524 -1.464 4.142
108 HD21 LEU 18 HD21 LEU 18 0.568 -3.883 2.218
109 HD22 LEU 18 HD22 LEU 18 0.761 -4.325 3.914
110 HD23 LEU 18 HD23 LEU 18 2.055 -3.472 3.073
111 H CYS 19 H CYS 19 2.135 -1.047 -0.219
112 HA CYS 19 HA CYS 19 2.207 1.832 -0.681
113 HB2 CYS 19 HB2 CYS 19 3.632 -0.351 -2.218
114 HB3 CYS 19 HB1 CYS 19 3.600 1.355 -2.661
115 H CYS 20 H CYS 20 1.498 2.222 -3.063
116 HA CYS 20 HA CYS 20 -1.088 0.899 -3.202
117 HB2 CYS 20 HB2 CYS 20 -0.945 3.365 -3.089
118 HB3 CYS 20 HB1 CYS 20 -0.069 3.360 -4.612
119 H VAL 21 H VAL 21 -1.287 -0.710 -4.526
120 HA VAL 21 HA VAL 21 -0.169 -0.559 -7.215
121 HB VAL 21 HB VAL 21 0.270 -3.095 -7.100
122 HG11 VAL 21 HG11 VAL 21 2.483 -2.870 -6.062
123 HG12 VAL 21 HG12 VAL 21 1.992 -1.325 -5.367
124 HG13 VAL 21 3HG1 VAL 21 2.113 -1.506 -7.117
125 HG21 VAL 21 HG21 VAL 21 0.162 -2.578 -4.123
126 HG22 VAL 21 HG22 VAL 21 0.719 -4.068 -4.887
127 HG23 VAL 21 HG23 VAL 21 -0.968 -3.574 -5.040
128 H GLY 22 H GLY 22 -2.628 0.215 -6.640
129 HA2 GLY 22 HA2 GLY 22 -4.739 -0.189 -7.603
130 HA3 GLY 22 HA1 GLY 22 -4.369 -1.916 -7.646
131 H ILE 23 H ILE 23 -3.506 -2.441 -5.288
132 HA ILE 23 HA ILE 23 -5.479 -1.597 -3.313
133 HB ILE 23 HB ILE 23 -5.309 -3.895 -2.341
134 HG12 ILE 23 HG12 ILE 23 -3.914 -4.590 -4.949
135 HG13 ILE 23 HG11 ILE 23 -3.144 -4.521 -3.372
136 HG21 ILE 23 HG21 ILE 23 -6.382 -3.796 -5.157
137 HG22 ILE 23 HG22 ILE 23 -7.242 -3.335 -3.688
138 HG23 ILE 23 HG23 ILE 23 -6.790 -5.019 -3.954
139 HD11 ILE 23 HD11 ILE 23 -3.606 -6.811 -4.067
140 HD12 ILE 23 HD12 ILE 23 -5.327 -6.436 -4.178
141 HD13 ILE 23 HD13 ILE 23 -4.510 -6.388 -2.616
142 H CYS 24 H CYS 24 -4.605 -1.821 -1.143
143 HA CYS 24 HA CYS 24 -1.869 -1.028 -1.025
144 HB2 CYS 24 HB2 CYS 24 -3.851 -1.643 1.165
145 HB3 CYS 24 HB1 CYS 24 -2.253 -0.953 1.421
146 H ALA 25 H ALA 25 -0.256 -2.344 -1.114
147 HA ALA 25 HA ALA 25 -0.242 -4.829 0.370
148 HB1 ALA 25 HB1 ALA 25 0.542 -6.104 -1.587
149 HB2 ALA 25 HB2 ALA 25 0.262 -4.696 -2.612
150 HB3 ALA 25 HB3 ALA 25 -1.098 -5.503 -1.829
151 H LYS 26 H LYS 26 2.080 -5.730 0.207
152 HA LYS 26 HA LYS 26 3.841 -3.453 0.523
153 HB2 LYS 26 HB2 LYS 26 3.766 -5.357 2.213
154 HB3 LYS 26 HB1 LYS 26 4.477 -6.379 0.974
155 HG2 LYS 26 HG2 LYS 26 6.464 -4.972 0.918
156 HG3 LYS 26 HG1 LYS 26 5.750 -3.900 2.120
157 HD2 LYS 26 HD2 LYS 26 5.669 -5.816 3.701
158 HD3 LYS 26 HD1 LYS 26 6.514 -6.794 2.502
159 HE2 LYS 26 HE2 LYS 26 8.408 -5.249 2.562
160 HE3 LYS 26 HE1 LYS 26 7.556 -4.243 3.730
161 HZ1 LYS 26 HZ1 LYS 26 7.596 -6.133 5.276
162 HZ2 LYS 26 HZ2 LYS 26 9.146 -5.668 4.851
163 HZ3 LYS 26 HZ3 LYS 26 8.461 -7.039 4.163
164 H THR 27 H THR 27 5.791 -3.259 -0.644
165 HA THR 27 HA THR 27 5.704 -4.636 -3.205
166 HB THR 27 HB THR 27 6.858 -2.510 -3.994
167 HG1 THR 27 HG1 THR 27 7.225 -1.040 -2.577
168 HG21 THR 27 HG21 THR 27 4.713 -1.254 -4.137
169 HG22 THR 27 HG22 THR 27 4.018 -2.367 -2.956
170 HG23 THR 27 HG23 THR 27 4.524 -2.958 -4.534
171 H ILE 28 H ILE 28 7.901 -4.627 -4.275
172 HA ILE 28 HA ILE 28 9.866 -5.693 -2.523
173 HB ILE 28 HB ILE 28 10.164 -4.814 -5.421
174 HG12 ILE 28 HG12 ILE 28 9.631 -7.559 -4.256
175 HG13 ILE 28 HG11 ILE 28 8.442 -6.562 -5.083
176 HG21 ILE 28 HG21 ILE 28 12.141 -6.286 -5.464
177 HG22 ILE 28 HG22 ILE 28 11.935 -6.605 -3.741
178 HG23 ILE 28 HG23 ILE 28 12.332 -4.979 -4.295
179 HD11 ILE 28 HD11 ILE 28 10.935 -7.740 -6.297
180 HD12 ILE 28 HD12 ILE 28 9.761 -6.735 -7.144
181 HD13 ILE 28 HD13 ILE 28 9.285 -8.318 -6.530
182 H ALA 29 H ALA 29 9.713 -2.703 -4.441
183 HA ALA 29 HA ALA 29 11.797 -1.555 -2.765
184 HB1 ALA 29 HB1 ALA 29 10.406 -0.474 -5.218
185 HB2 ALA 29 HB2 ALA 29 12.015 -1.207 -5.161
186 HB3 ALA 29 HB3 ALA 29 11.708 0.324 -4.340
187 HA PRO 30 HA PRO 30 8.576 0.242 -0.276
188 HB2 PRO 30 HB2 PRO 30 10.141 1.886 1.231
189 HB3 PRO 30 HB1 PRO 30 10.027 0.145 1.501
190 HG2 PRO 30 HG2 PRO 30 12.143 1.710 0.095
191 HG3 PRO 30 HG1 PRO 30 12.316 0.311 1.168
192 HD2 PRO 30 HD2 PRO 30 12.451 0.170 -1.553
193 HD3 PRO 30 HD1 PRO 30 11.919 -1.186 -0.546
194 H CYS 31 H CYS 31 7.335 2.068 -0.276
195 HA CYS 31 HA CYS 31 8.057 4.110 -2.230
196 HB2 CYS 31 HB2 CYS 31 5.618 4.571 -2.141
197 HB3 CYS 31 HB1 CYS 31 6.017 2.927 -2.650
198 H LYS 32 H LYS 32 8.049 3.697 1.111
199 HA LYS 32 HA LYS 32 7.474 6.532 1.539
200 HB2 LYS 32 HB2 LYS 32 7.138 4.276 3.523
201 HB3 LYS 32 HB1 LYS 32 6.801 5.974 3.811
202 HG2 LYS 32 HG2 LYS 32 5.023 5.895 2.128
203 HG3 LYS 32 HG1 LYS 32 5.350 4.177 1.884
204 HD2 LYS 32 HD2 LYS 32 4.854 3.776 4.263
205 HD3 LYS 32 HD1 LYS 32 4.464 5.486 4.445
206 HE2 LYS 32 HE2 LYS 32 2.697 5.220 2.745
207 HE3 LYS 32 HE1 LYS 32 3.056 3.495 2.680
208 HZ1 LYS 32 HZ1 LYS 32 2.520 3.348 5.038
209 HZ2 LYS 32 HZ2 LYS 32 1.192 3.940 4.167
210 HZ3 LYS 32 HZ3 LYS 32 2.143 4.987 5.065
Start of MODEL 8
1 H1 CYS 1 HT1 CYS 1 -6.194 5.769 7.343
2 H2 CYS 1 HT2 CYS 1 -6.562 4.167 7.818
3 H3 CYS 1 HT3 CYS 1 -7.527 4.955 6.697
4 HA CYS 1 HA CYS 1 -5.814 4.986 5.108
5 HB2 CYS 1 HB2 CYS 1 -3.704 3.729 5.611
6 HB3 CYS 1 HB1 CYS 1 -3.881 5.209 6.540
7 H ALA 2 H ALA 2 -5.490 3.164 3.716
8 HA ALA 2 HA ALA 2 -7.347 1.026 4.311
9 HB1 ALA 2 HB1 ALA 2 -7.453 2.135 2.140
10 HB2 ALA 2 HB2 ALA 2 -7.024 0.436 1.949
11 HB3 ALA 2 HB3 ALA 2 -5.782 1.681 1.815
12 H VAL 3 H VAL 3 -6.759 -1.131 4.437
13 HA VAL 3 HA VAL 3 -3.935 -1.554 5.043
14 HB VAL 3 HB VAL 3 -4.601 -3.647 6.094
15 HG11 VAL 3 HG11 VAL 3 -5.993 -2.800 7.923
16 HG12 VAL 3 HG12 VAL 3 -6.381 -1.378 6.954
17 HG13 VAL 3 3HG1 VAL 3 -4.720 -1.666 7.471
18 HG21 VAL 3 HG21 VAL 3 -7.380 -2.982 5.142
19 HG22 VAL 3 HG22 VAL 3 -6.997 -4.285 6.273
20 HG23 VAL 3 HG23 VAL 3 -6.382 -4.331 4.615
21 H THR 4 H THR 4 -3.480 -4.139 4.523
22 HA THR 4 HA THR 4 -2.940 -4.222 1.826
23 HB THR 4 HB THR 4 -3.217 -6.585 3.706
24 HG1 THR 4 HG1 THR 4 -0.709 -5.804 3.503
25 HG21 THR 4 HG21 THR 4 -1.455 -6.121 1.280
26 HG22 THR 4 HG22 THR 4 -2.880 -7.157 1.320
27 HG23 THR 4 HG23 THR 4 -1.463 -7.573 2.282
28 H HIS 5 H HIS 5 -4.032 -4.848 0.136
29 HA HIS 5 HA HIS 5 -5.473 -5.770 -1.263
30 HB2 HIS 5 HB2 HIS 5 -6.673 -7.236 1.096
31 HB3 HIS 5 HB1 HIS 5 -7.180 -7.476 -0.571
32 HD1 HIS 5 HD1 HIS 5 -5.182 -9.102 1.829
33 HD2 HIS 5 HD2 HIS 5 -4.611 -8.135 -2.171
34 HE1 HIS 5 HE1 HIS 5 -3.402 -10.658 0.981
35 H GLU 6 H GLU 6 -6.289 -3.540 0.993
36 HA GLU 6 HA GLU 6 -8.943 -3.105 -0.124
37 HB2 GLU 6 HB2 GLU 6 -7.317 -1.613 1.939
38 HB3 GLU 6 HB1 GLU 6 -8.811 -0.945 1.279
39 HG2 GLU 6 HG2 GLU 6 -9.909 -3.042 2.169
40 HG3 GLU 6 HG1 GLU 6 -8.380 -3.361 2.995
41 H LYS 7 H LYS 7 -9.422 -1.241 -1.398
42 HA LYS 7 HA LYS 7 -7.495 -0.650 -3.357
43 HB2 LYS 7 HB2 LYS 7 -10.036 0.810 -2.664
44 HB3 LYS 7 HB1 LYS 7 -9.081 1.106 -4.113
45 HG2 LYS 7 HG2 LYS 7 -9.485 -1.214 -4.810
46 HG3 LYS 7 HG1 LYS 7 -10.487 -1.456 -3.389
47 HD2 LYS 7 HD2 LYS 7 -11.035 0.540 -5.605
48 HD3 LYS 7 HD1 LYS 7 -11.811 -1.028 -5.441
49 HE2 LYS 7 HE2 LYS 7 -13.396 0.447 -4.552
50 HE3 LYS 7 HE1 LYS 7 -12.570 -0.157 -3.126
51 HZ1 LYS 7 HZ1 LYS 7 -12.909 2.200 -2.985
52 HZ2 LYS 7 HZ2 LYS 7 -12.129 2.463 -4.438
53 HZ3 LYS 7 HZ3 LYS 7 -11.247 1.955 -3.115
54 H CYS 8 H CYS 8 -6.302 1.191 -3.765
55 HA CYS 8 HA CYS 8 -5.898 2.898 -1.413
56 HB2 CYS 8 HB2 CYS 8 -3.552 3.133 -2.275
57 HB3 CYS 8 HB1 CYS 8 -3.978 1.534 -1.681
58 H SER 9 H SER 9 -5.903 5.045 -1.678
59 HA SER 9 HA SER 9 -6.540 6.094 -4.308
60 HB2 SER 9 HB2 SER 9 -6.174 7.571 -1.696
61 HB3 SER 9 HB1 SER 9 -7.042 8.128 -3.130
62 HG SER 9 HG SER 9 -7.719 6.129 -1.283
63 H ASP 10 H ASP 10 -3.889 5.737 -2.144
64 HA ASP 10 HA ASP 10 -1.934 6.682 -3.952
65 HB2 ASP 10 HB2 ASP 10 -2.810 8.867 -2.989
66 HB3 ASP 10 HB1 ASP 10 -2.356 8.288 -1.393
67 H ASP 11 H ASP 11 0.229 6.511 -2.678
68 HA ASP 11 HA ASP 11 0.315 3.972 -1.401
69 HB2 ASP 11 HB2 ASP 11 2.451 6.111 -1.495
70 HB3 ASP 11 HB1 ASP 11 2.695 4.415 -1.100
71 H TYR 12 H TYR 12 0.400 7.299 -0.293
72 HA TYR 12 HA TYR 12 0.974 6.509 2.419
73 HB2 TYR 12 HB2 TYR 12 0.328 9.198 1.219
74 HB3 TYR 12 HB1 TYR 12 0.711 8.943 2.917
75 HD1 TYR 12 HD1 TYR 12 2.960 8.839 3.643
76 HD2 TYR 12 HD2 TYR 12 2.100 8.592 -0.510
77 HE1 TYR 12 HE1 TYR 12 5.360 9.021 3.134
78 HE2 TYR 12 HE2 TYR 12 4.498 8.768 -1.023
79 HH TYR 12 HH TYR 12 6.491 9.627 0.001
80 H ASP 13 H ASP 13 -1.681 6.412 0.583
81 HA ASP 13 HA ASP 13 -3.635 7.010 2.638
82 HB2 ASP 13 HB2 ASP 13 -4.169 7.489 0.288
83 HB3 ASP 13 HB1 ASP 13 -3.855 5.821 -0.146
84 H CYS 14 H CYS 14 -1.600 4.538 1.702
85 HA CYS 14 HA CYS 14 -3.148 2.369 2.864
86 HB2 CYS 14 HB2 CYS 14 -0.399 2.408 1.612
87 HB3 CYS 14 HB1 CYS 14 -1.287 0.974 2.126
88 H CYS 15 H CYS 15 -2.625 1.416 4.756
89 HA CYS 15 HA CYS 15 -1.380 2.923 6.768
90 HB2 CYS 15 HB2 CYS 15 -2.023 -0.025 6.758
91 HB3 CYS 15 HB1 CYS 15 -1.691 0.954 8.178
92 H GLY 16 H GLY 16 0.598 2.936 7.587
93 HA2 GLY 16 HA2 GLY 16 2.738 2.403 8.082
94 HA3 GLY 16 HA1 GLY 16 2.333 0.752 7.646
95 H SER 17 H SER 17 3.894 0.085 6.386
96 HA SER 17 HA SER 17 5.088 1.915 4.500
97 HB2 SER 17 HB2 SER 17 6.784 0.045 4.344
98 HB3 SER 17 HB1 SER 17 6.644 0.843 5.910
99 HG SER 17 HG SER 17 6.215 -1.024 6.713
100 H LEU 18 H LEU 18 2.410 0.354 4.185
101 HA LEU 18 HA LEU 18 2.861 -1.354 1.931
102 HB2 LEU 18 HB2 LEU 18 0.365 0.024 2.888
103 HB3 LEU 18 HB1 LEU 18 0.402 -1.158 1.597
104 HG LEU 18 HG LEU 18 1.083 -1.683 4.491
105 HD11 LEU 18 HD11 LEU 18 -1.013 -2.936 4.493
106 HD12 LEU 18 HD12 LEU 18 -1.308 -2.429 2.830
107 HD13 LEU 18 HD13 LEU 18 -1.282 -1.230 4.125
108 HD21 LEU 18 HD21 LEU 18 0.833 -3.567 2.142
109 HD22 LEU 18 HD22 LEU 18 1.076 -4.040 3.823
110 HD23 LEU 18 HD23 LEU 18 2.330 -3.140 2.973
111 H CYS 19 H CYS 19 2.206 -0.912 -0.251
112 HA CYS 19 HA CYS 19 2.321 1.933 -0.930
113 HB2 CYS 19 HB2 CYS 19 3.588 -0.388 -2.406
114 HB3 CYS 19 HB1 CYS 19 3.595 1.289 -2.943
115 H CYS 20 H CYS 20 1.409 2.323 -3.137
116 HA CYS 20 HA CYS 20 -1.162 0.990 -3.206
117 HB2 CYS 20 HB2 CYS 20 -0.945 3.487 -3.231
118 HB3 CYS 20 HB1 CYS 20 -0.158 3.357 -4.797
119 H VAL 21 H VAL 21 -1.454 -0.687 -4.474
120 HA VAL 21 HA VAL 21 -0.111 -0.826 -7.097
121 HB VAL 21 HB VAL 21 -0.788 -3.225 -5.324
122 HG11 VAL 21 HG11 VAL 21 0.707 -4.487 -6.793
123 HG12 VAL 21 HG12 VAL 21 0.995 -3.028 -7.742
124 HG13 VAL 21 3HG1 VAL 21 -0.616 -3.743 -7.694
125 HG21 VAL 21 HG21 VAL 21 1.915 -1.907 -5.619
126 HG22 VAL 21 HG22 VAL 21 1.613 -3.435 -4.795
127 HG23 VAL 21 HG23 VAL 21 0.924 -1.938 -4.161
128 H GLY 22 H GLY 22 -2.557 0.350 -6.421
129 HA2 GLY 22 HA2 GLY 22 -4.685 0.376 -7.435
130 HA3 GLY 22 HA1 GLY 22 -4.567 -1.372 -7.710
131 H ILE 23 H ILE 23 -3.793 -2.248 -5.429
132 HA ILE 23 HA ILE 23 -5.611 -1.370 -3.339
133 HB ILE 23 HB ILE 23 -5.521 -3.753 -2.520
134 HG12 ILE 23 HG12 ILE 23 -4.318 -4.288 -5.255
135 HG13 ILE 23 HG11 ILE 23 -3.504 -4.483 -3.710
136 HG21 ILE 23 HG21 ILE 23 -7.496 -2.962 -3.670
137 HG22 ILE 23 HG22 ILE 23 -7.182 -4.644 -4.098
138 HG23 ILE 23 HG23 ILE 23 -6.769 -3.355 -5.228
139 HD11 ILE 23 HD11 ILE 23 -5.884 -6.063 -4.657
140 HD12 ILE 23 HD12 ILE 23 -5.029 -6.295 -3.132
141 HD13 ILE 23 HD13 ILE 23 -4.212 -6.615 -4.659
142 H CYS 24 H CYS 24 -4.631 -1.578 -1.247
143 HA CYS 24 HA CYS 24 -1.891 -0.865 -1.253
144 HB2 CYS 24 HB2 CYS 24 -3.699 -1.653 1.032
145 HB3 CYS 24 HB1 CYS 24 -2.109 -0.912 1.203
146 H ALA 25 H ALA 25 -0.193 -2.131 -1.305
147 HA ALA 25 HA ALA 25 -0.342 -4.804 -0.202
148 HB1 ALA 25 HB1 ALA 25 0.474 -5.845 -2.248
149 HB2 ALA 25 HB2 ALA 25 0.398 -4.291 -3.081
150 HB3 ALA 25 HB3 ALA 25 -1.085 -5.065 -2.519
151 H LYS 26 H LYS 26 1.816 -5.840 -0.344
152 HA LYS 26 HA LYS 26 3.836 -3.904 0.401
153 HB2 LYS 26 HB2 LYS 26 3.420 -5.739 1.940
154 HB3 LYS 26 HB1 LYS 26 3.679 -6.911 0.668
155 HG2 LYS 26 HG2 LYS 26 5.572 -6.799 2.219
156 HG3 LYS 26 HG1 LYS 26 6.034 -6.362 0.579
157 HD2 LYS 26 HD2 LYS 26 7.086 -4.893 2.224
158 HD3 LYS 26 HD1 LYS 26 5.994 -4.003 1.179
159 HE2 LYS 26 HE2 LYS 26 4.290 -4.001 2.939
160 HE3 LYS 26 HE1 LYS 26 5.347 -4.966 3.970
161 HZ1 LYS 26 HZ1 LYS 26 5.404 -2.593 4.540
162 HZ2 LYS 26 HZ2 LYS 26 6.001 -2.227 3.000
163 HZ3 LYS 26 HZ3 LYS 26 6.901 -3.172 4.051
164 H THR 27 H THR 27 5.443 -3.363 -0.916
165 HA THR 27 HA THR 27 5.849 -4.835 -3.383
166 HB THR 27 HB THR 27 7.220 -2.739 -3.911
167 HG1 THR 27 HG1 THR 27 7.469 -1.382 -2.334
168 HG21 THR 27 HG21 THR 27 4.949 -3.070 -4.794
169 HG22 THR 27 HG22 THR 27 5.216 -1.375 -4.383
170 HG23 THR 27 HG23 THR 27 4.272 -2.407 -3.308
171 H ILE 28 H ILE 28 8.180 -5.049 -4.060
172 HA ILE 28 HA ILE 28 9.701 -6.320 -2.019
173 HB ILE 28 HB ILE 28 10.598 -5.464 -4.803
174 HG12 ILE 28 HG12 ILE 28 9.588 -8.144 -3.818
175 HG13 ILE 28 HG11 ILE 28 8.673 -7.020 -4.815
176 HG21 ILE 28 HG21 ILE 28 12.382 -7.136 -4.544
177 HG22 ILE 28 HG22 ILE 28 11.849 -7.446 -2.892
178 HG23 ILE 28 HG23 ILE 28 12.503 -5.866 -3.324
179 HD11 ILE 28 HD11 ILE 28 10.306 -7.305 -6.615
180 HD12 ILE 28 HD12 ILE 28 9.582 -8.842 -6.137
181 HD13 ILE 28 HD13 ILE 28 11.214 -8.433 -5.606
182 H ALA 29 H ALA 29 9.907 -3.251 -3.673
183 HA ALA 29 HA ALA 29 11.967 -2.379 -1.790
184 HB1 ALA 29 HB1 ALA 29 12.536 -0.674 -3.449
185 HB2 ALA 29 HB2 ALA 29 11.240 -1.251 -4.495
186 HB3 ALA 29 HB3 ALA 29 12.624 -2.289 -4.153
187 HA PRO 30 HA PRO 30 8.809 0.153 0.153
188 HB2 PRO 30 HB2 PRO 30 11.137 1.891 0.791
189 HB3 PRO 30 HB1 PRO 30 9.916 1.214 1.873
190 HG2 PRO 30 HG2 PRO 30 12.361 0.199 1.817
191 HG3 PRO 30 HG1 PRO 30 10.948 -0.865 1.944
192 HD2 PRO 30 HD2 PRO 30 12.667 -0.275 -0.429
193 HD3 PRO 30 HD1 PRO 30 11.941 -1.808 0.107
194 H CYS 31 H CYS 31 7.696 2.012 -0.297
195 HA CYS 31 HA CYS 31 8.698 3.681 -2.493
196 HB2 CYS 31 HB2 CYS 31 6.301 4.193 -2.877
197 HB3 CYS 31 HB1 CYS 31 6.646 2.470 -3.013
198 H LYS 32 H LYS 32 8.558 3.678 0.755
199 HA LYS 32 HA LYS 32 8.031 6.558 0.922
200 HB2 LYS 32 HB2 LYS 32 7.372 4.475 3.022
201 HB3 LYS 32 HB1 LYS 32 7.104 6.204 3.165
202 HG2 LYS 32 HG2 LYS 32 5.474 6.111 1.358
203 HG3 LYS 32 HG1 LYS 32 5.763 4.381 1.181
204 HD2 LYS 32 HD2 LYS 32 5.000 4.055 3.511
205 HD3 LYS 32 HD1 LYS 32 4.630 5.781 3.603
206 HE2 LYS 32 HE2 LYS 32 3.073 5.534 1.733
207 HE3 LYS 32 HE1 LYS 32 3.436 3.814 1.662
208 HZ1 LYS 32 HZ1 LYS 32 2.112 5.242 3.910
209 HZ2 LYS 32 HZ2 LYS 32 2.595 3.657 3.975
210 HZ3 LYS 32 HZ3 LYS 32 1.411 4.118 2.856
Start of MODEL 9
1 H1 CYS 1 HT1 CYS 1 -5.925 6.166 7.027
2 H2 CYS 1 HT2 CYS 1 -6.297 4.603 7.575
3 H3 CYS 1 HT3 CYS 1 -7.296 5.349 6.448
4 HA CYS 1 HA CYS 1 -5.553 5.291 4.839
5 HB2 CYS 1 HB2 CYS 1 -3.540 3.892 5.418
6 HB3 CYS 1 HB1 CYS 1 -3.613 5.432 6.261
7 H ALA 2 H ALA 2 -5.316 3.413 3.506
8 HA ALA 2 HA ALA 2 -7.343 1.438 4.022
9 HB1 ALA 2 HB1 ALA 2 -7.101 2.501 1.823
10 HB2 ALA 2 HB2 ALA 2 -6.918 0.750 1.737
11 HB3 ALA 2 HB3 ALA 2 -5.496 1.791 1.667
12 H VAL 3 H VAL 3 -6.998 -0.702 4.289
13 HA VAL 3 HA VAL 3 -4.320 -1.393 5.224
14 HB VAL 3 HB VAL 3 -5.333 -3.370 6.255
15 HG11 VAL 3 HG11 VAL 3 -6.734 -2.251 7.917
16 HG12 VAL 3 HG12 VAL 3 -6.818 -0.830 6.872
17 HG13 VAL 3 3HG1 VAL 3 -5.271 -1.336 7.551
18 HG21 VAL 3 HG21 VAL 3 -7.797 -3.655 6.256
19 HG22 VAL 3 HG22 VAL 3 -7.070 -3.849 4.656
20 HG23 VAL 3 HG23 VAL 3 -7.905 -2.359 5.054
21 H THR 4 H THR 4 -4.117 -4.039 4.901
22 HA THR 4 HA THR 4 -3.178 -4.311 2.342
23 HB THR 4 HB THR 4 -4.026 -6.603 4.099
24 HG1 THR 4 HG1 THR 4 -1.755 -6.178 4.905
25 HG21 THR 4 HG21 THR 4 -1.655 -6.117 2.281
26 HG22 THR 4 HG22 THR 4 -3.055 -7.115 1.894
27 HG23 THR 4 HG23 THR 4 -1.959 -7.598 3.189
28 H HIS 5 H HIS 5 -4.061 -4.872 0.516
29 HA HIS 5 HA HIS 5 -5.345 -5.674 -1.077
30 HB2 HIS 5 HB2 HIS 5 -6.779 -7.197 1.095
31 HB3 HIS 5 HB1 HIS 5 -7.239 -7.305 -0.602
32 HD1 HIS 5 HD1 HIS 5 -5.271 -9.117 1.746
33 HD2 HIS 5 HD2 HIS 5 -4.762 -7.969 -2.213
34 HE1 HIS 5 HE1 HIS 5 -3.470 -10.592 0.819
35 H GLU 6 H GLU 6 -6.456 -3.489 1.111
36 HA GLU 6 HA GLU 6 -8.962 -3.031 -0.223
37 HB2 GLU 6 HB2 GLU 6 -7.376 -1.338 1.714
38 HB3 GLU 6 HB1 GLU 6 -8.884 -0.778 0.981
39 HG2 GLU 6 HG2 GLU 6 -9.887 -2.863 2.028
40 HG3 GLU 6 HG1 GLU 6 -8.380 -2.976 2.942
41 H LYS 7 H LYS 7 -9.378 -0.983 -1.431
42 HA LYS 7 HA LYS 7 -7.512 -0.749 -3.530
43 HB2 LYS 7 HB2 LYS 7 -10.042 -0.531 -3.636
44 HB3 LYS 7 HB1 LYS 7 -9.854 1.035 -2.865
45 HG2 LYS 7 HG2 LYS 7 -8.555 1.828 -4.722
46 HG3 LYS 7 HG1 LYS 7 -8.639 0.231 -5.475
47 HD2 LYS 7 HD2 LYS 7 -10.299 1.586 -6.568
48 HD3 LYS 7 HD1 LYS 7 -11.147 0.479 -5.500
49 HE2 LYS 7 HE2 LYS 7 -12.130 2.680 -5.331
50 HE3 LYS 7 HE1 LYS 7 -11.330 2.282 -3.814
51 HZ1 LYS 7 HZ1 LYS 7 -10.884 4.559 -4.543
52 HZ2 LYS 7 HZ2 LYS 7 -10.158 3.994 -5.950
53 HZ3 LYS 7 HZ3 LYS 7 -9.469 3.664 -4.461
54 H CYS 8 H CYS 8 -6.157 1.021 -3.988
55 HA CYS 8 HA CYS 8 -5.701 2.747 -1.652
56 HB2 CYS 8 HB2 CYS 8 -3.353 2.809 -2.335
57 HB3 CYS 8 HB1 CYS 8 -3.894 1.170 -1.991
58 H SER 9 H SER 9 -5.392 4.883 -1.977
59 HA SER 9 HA SER 9 -5.792 5.879 -4.704
60 HB2 SER 9 HB2 SER 9 -5.975 7.341 -2.056
61 HB3 SER 9 HB1 SER 9 -6.468 7.960 -3.635
62 HG SER 9 HG SER 9 -7.529 5.580 -2.579
63 H ASP 10 H ASP 10 -3.438 5.478 -2.222
64 HA ASP 10 HA ASP 10 -1.321 6.727 -3.683
65 HB2 ASP 10 HB2 ASP 10 -2.508 8.707 -2.618
66 HB3 ASP 10 HB1 ASP 10 -2.159 7.976 -1.056
67 H ASP 11 H ASP 11 0.692 6.500 -2.343
68 HA ASP 11 HA ASP 11 0.769 3.949 -1.031
69 HB2 ASP 11 HB2 ASP 11 2.899 6.098 -1.165
70 HB3 ASP 11 HB1 ASP 11 3.147 4.497 -0.487
71 H TYR 12 H TYR 12 0.701 7.281 0.020
72 HA TYR 12 HA TYR 12 1.033 6.540 2.795
73 HB2 TYR 12 HB2 TYR 12 0.554 9.180 1.424
74 HB3 TYR 12 HB1 TYR 12 0.640 9.007 3.173
75 HD1 TYR 12 HD1 TYR 12 2.718 8.883 4.281
76 HD2 TYR 12 HD2 TYR 12 2.596 8.608 0.038
77 HE1 TYR 12 HE1 TYR 12 5.161 9.080 4.205
78 HE2 TYR 12 HE2 TYR 12 5.043 8.806 -0.049
79 HH TYR 12 HH TYR 12 6.857 9.639 1.305
80 H ASP 13 H ASP 13 -1.378 6.476 0.616
81 HA ASP 13 HA ASP 13 -3.553 7.038 2.428
82 HB2 ASP 13 HB2 ASP 13 -3.951 7.537 0.116
83 HB3 ASP 13 HB1 ASP 13 -3.377 5.957 -0.387
84 H CYS 14 H CYS 14 -1.430 4.537 1.694
85 HA CYS 14 HA CYS 14 -3.156 2.460 2.780
86 HB2 CYS 14 HB2 CYS 14 -0.359 2.319 1.636
87 HB3 CYS 14 HB1 CYS 14 -1.329 0.947 2.161
88 H CYS 15 H CYS 15 -2.663 1.379 4.669
89 HA CYS 15 HA CYS 15 -1.422 2.904 6.699
90 HB2 CYS 15 HB2 CYS 15 -2.364 0.040 6.738
91 HB3 CYS 15 HB1 CYS 15 -1.921 0.991 8.151
92 H GLY 16 H GLY 16 0.469 2.698 7.713
93 HA2 GLY 16 HA2 GLY 16 2.605 2.118 8.187
94 HA3 GLY 16 HA1 GLY 16 2.057 0.472 7.966
95 H SER 17 H SER 17 3.346 -0.588 6.731
96 HA SER 17 HA SER 17 5.113 0.749 4.928
97 HB2 SER 17 HB2 SER 17 6.078 -1.620 4.839
98 HB3 SER 17 HB1 SER 17 6.167 -0.740 6.367
99 HG SER 17 HG SER 17 5.234 -2.425 7.136
100 H LEU 18 H LEU 18 2.088 -0.066 4.395
101 HA LEU 18 HA LEU 18 2.388 -1.775 2.089
102 HB2 LEU 18 HB2 LEU 18 0.022 -0.229 3.079
103 HB3 LEU 18 HB1 LEU 18 -0.011 -1.394 1.770
104 HG LEU 18 HG LEU 18 0.516 -1.959 4.681
105 HD11 LEU 18 HD11 LEU 18 -1.621 -3.153 4.498
106 HD12 LEU 18 HD12 LEU 18 -1.772 -2.544 2.849
107 HD13 LEU 18 HD13 LEU 18 -1.768 -1.419 4.208
108 HD21 LEU 18 HD21 LEU 18 1.802 -3.491 3.268
109 HD22 LEU 18 HD22 LEU 18 0.354 -3.852 2.330
110 HD23 LEU 18 HD23 LEU 18 0.448 -4.329 4.025
111 H CYS 19 H CYS 19 1.939 -1.167 -0.037
112 HA CYS 19 HA CYS 19 2.298 1.681 -0.585
113 HB2 CYS 19 HB2 CYS 19 3.421 -0.704 -2.060
114 HB3 CYS 19 HB1 CYS 19 3.673 0.991 -2.471
115 H CYS 20 H CYS 20 1.517 2.206 -2.800
116 HA CYS 20 HA CYS 20 -1.057 0.913 -3.160
117 HB2 CYS 20 HB2 CYS 20 -0.946 3.368 -2.954
118 HB3 CYS 20 HB1 CYS 20 0.066 3.430 -4.391
119 H VAL 21 H VAL 21 -1.227 -0.626 -4.554
120 HA VAL 21 HA VAL 21 0.005 -0.383 -7.172
121 HB VAL 21 HB VAL 21 1.484 -1.786 -5.708
122 HG11 VAL 21 HG11 VAL 21 -0.061 -2.778 -4.215
123 HG12 VAL 21 HG12 VAL 21 0.850 -4.045 -5.037
124 HG13 VAL 21 3HG1 VAL 21 -0.810 -3.697 -5.522
125 HG21 VAL 21 HG21 VAL 21 1.628 -2.180 -8.063
126 HG22 VAL 21 HG22 VAL 21 0.225 -3.239 -8.024
127 HG23 VAL 21 HG23 VAL 21 1.726 -3.738 -7.240
128 H GLY 22 H GLY 22 -2.536 0.261 -6.415
129 HA2 GLY 22 HA2 GLY 22 -4.660 -0.099 -7.394
130 HA3 GLY 22 HA1 GLY 22 -4.229 -1.794 -7.666
131 H ILE 23 H ILE 23 -3.293 -2.541 -5.407
132 HA ILE 23 HA ILE 23 -5.367 -2.150 -3.367
133 HB ILE 23 HB ILE 23 -4.659 -4.388 -2.510
134 HG12 ILE 23 HG12 ILE 23 -3.145 -4.626 -5.126
135 HG13 ILE 23 HG11 ILE 23 -2.404 -4.414 -3.548
136 HG21 ILE 23 HG21 ILE 23 -6.660 -4.251 -3.848
137 HG22 ILE 23 HG22 ILE 23 -5.805 -5.750 -4.214
138 HG23 ILE 23 HG23 ILE 23 -5.714 -4.387 -5.331
139 HD11 ILE 23 HD11 ILE 23 -4.060 -6.773 -4.411
140 HD12 ILE 23 HD12 ILE 23 -3.262 -6.575 -2.847
141 HD13 ILE 23 HD13 ILE 23 -2.299 -6.724 -4.317
142 H CYS 24 H CYS 24 -4.515 -1.983 -1.227
143 HA CYS 24 HA CYS 24 -1.825 -1.028 -1.086
144 HB2 CYS 24 HB2 CYS 24 -3.840 -1.611 1.089
145 HB3 CYS 24 HB1 CYS 24 -2.252 -0.908 1.377
146 H ALA 25 H ALA 25 -0.202 -2.287 -1.164
147 HA ALA 25 HA ALA 25 -0.116 -4.766 0.353
148 HB1 ALA 25 HB1 ALA 25 0.374 -4.626 -2.627
149 HB2 ALA 25 HB2 ALA 25 -0.966 -5.456 -1.838
150 HB3 ALA 25 HB3 ALA 25 0.687 -6.029 -1.607
151 H LYS 26 H LYS 26 2.076 -5.493 0.563
152 HA LYS 26 HA LYS 26 3.925 -3.260 0.544
153 HB2 LYS 26 HB2 LYS 26 3.751 -4.666 2.546
154 HB3 LYS 26 HB1 LYS 26 4.216 -6.078 1.613
155 HG2 LYS 26 HG2 LYS 26 6.416 -5.066 1.194
156 HG3 LYS 26 HG1 LYS 26 5.940 -3.668 2.151
157 HD2 LYS 26 HD2 LYS 26 6.037 -6.493 3.204
158 HD3 LYS 26 HD1 LYS 26 7.332 -5.318 3.401
159 HE2 LYS 26 HE2 LYS 26 5.798 -3.842 4.631
160 HE3 LYS 26 HE1 LYS 26 4.503 -5.017 4.426
161 HZ1 LYS 26 HZ1 LYS 26 7.040 -5.538 5.873
162 HZ2 LYS 26 HZ2 LYS 26 5.742 -6.590 5.732
163 HZ3 LYS 26 HZ3 LYS 26 5.572 -5.165 6.604
164 H THR 27 H THR 27 5.110 -2.900 -1.214
165 HA THR 27 HA THR 27 5.497 -4.965 -3.168
166 HB THR 27 HB THR 27 6.565 -2.985 -4.400
167 HG1 THR 27 HG1 THR 27 7.002 -1.516 -2.784
168 HG21 THR 27 HG21 THR 27 3.684 -2.753 -3.490
169 HG22 THR 27 HG22 THR 27 4.255 -3.745 -4.830
170 HG23 THR 27 HG23 THR 27 4.370 -1.988 -4.923
171 H ILE 28 H ILE 28 7.779 -4.881 -4.258
172 HA ILE 28 HA ILE 28 9.692 -5.667 -2.281
173 HB ILE 28 HB ILE 28 10.066 -5.289 -5.280
174 HG12 ILE 28 HG12 ILE 28 9.462 -7.812 -3.713
175 HG13 ILE 28 HG11 ILE 28 8.302 -6.938 -4.702
176 HG21 ILE 28 HG21 ILE 28 12.193 -5.295 -4.074
177 HG22 ILE 28 HG22 ILE 28 12.012 -6.774 -5.018
178 HG23 ILE 28 HG23 ILE 28 11.749 -6.804 -3.275
179 HD11 ILE 28 HD11 ILE 28 9.639 -7.428 -6.690
180 HD12 ILE 28 HD12 ILE 28 9.151 -8.901 -5.852
181 HD13 ILE 28 HD13 ILE 28 10.801 -8.299 -5.689
182 H ALA 29 H ALA 29 9.310 -2.985 -4.517
183 HA ALA 29 HA ALA 29 11.616 -1.608 -3.470
184 HB1 ALA 29 HB1 ALA 29 9.495 -0.708 -5.432
185 HB2 ALA 29 HB2 ALA 29 11.050 -1.421 -5.855
186 HB3 ALA 29 HB3 ALA 29 10.988 0.156 -5.067
187 HA PRO 30 HA PRO 30 9.292 0.424 -0.255
188 HB2 PRO 30 HB2 PRO 30 10.959 2.527 0.209
189 HB3 PRO 30 HB1 PRO 30 11.314 0.891 0.771
190 HG2 PRO 30 HG2 PRO 30 12.334 2.337 -1.625
191 HG3 PRO 30 HG1 PRO 30 13.215 1.308 -0.482
192 HD2 PRO 30 HD2 PRO 30 12.413 0.421 -2.912
193 HD3 PRO 30 HD1 PRO 30 12.494 -0.645 -1.496
194 H CYS 31 H CYS 31 7.790 2.012 -0.151
195 HA CYS 31 HA CYS 31 7.619 3.788 -2.481
196 HB2 CYS 31 HB2 CYS 31 5.186 3.811 -1.982
197 HB3 CYS 31 HB1 CYS 31 5.822 2.226 -2.420
198 H LYS 32 H LYS 32 8.334 3.800 0.758
199 HA LYS 32 HA LYS 32 7.651 6.628 0.933
200 HB2 LYS 32 HB2 LYS 32 7.421 4.608 3.199
201 HB3 LYS 32 HB1 LYS 32 7.210 6.344 3.346
202 HG2 LYS 32 HG2 LYS 32 5.269 6.171 1.857
203 HG3 LYS 32 HG1 LYS 32 5.485 4.418 1.822
204 HD2 LYS 32 HD2 LYS 32 5.273 4.372 4.270
205 HD3 LYS 32 HD1 LYS 32 4.962 6.115 4.269
206 HE2 LYS 32 HE2 LYS 32 2.866 5.103 4.377
207 HE3 LYS 32 HE1 LYS 32 3.077 5.581 2.686
208 HZ1 LYS 32 HZ1 LYS 32 3.816 3.215 2.272
209 HZ2 LYS 32 HZ2 LYS 32 2.208 3.365 2.698
210 HZ3 LYS 32 HZ3 LYS 32 3.339 2.878 3.846
Start of MODEL 10
1 H1 CYS 1 HT1 CYS 1 -7.046 5.652 6.143
2 H2 CYS 1 HT2 CYS 1 -5.620 6.357 6.736
3 H3 CYS 1 HT3 CYS 1 -6.213 4.922 7.423
4 HA CYS 1 HA CYS 1 -5.300 5.259 4.664
5 HB2 CYS 1 HB2 CYS 1 -3.410 3.801 5.389
6 HB3 CYS 1 HB1 CYS 1 -3.406 5.366 6.182
7 H ALA 2 H ALA 2 -5.206 3.283 3.492
8 HA ALA 2 HA ALA 2 -7.341 1.450 4.173
9 HB1 ALA 2 HB1 ALA 2 -5.644 1.710 1.688
10 HB2 ALA 2 HB2 ALA 2 -7.238 2.422 1.919
11 HB3 ALA 2 HB3 ALA 2 -7.056 0.669 1.868
12 H VAL 3 H VAL 3 -7.003 -0.784 4.269
13 HA VAL 3 HA VAL 3 -4.301 -1.457 5.158
14 HB VAL 3 HB VAL 3 -5.277 -3.431 6.237
15 HG11 VAL 3 HG11 VAL 3 -6.613 -2.297 7.951
16 HG12 VAL 3 HG12 VAL 3 -6.726 -0.881 6.904
17 HG13 VAL 3 3HG1 VAL 3 -5.158 -1.396 7.523
18 HG21 VAL 3 HG21 VAL 3 -7.096 -3.911 4.705
19 HG22 VAL 3 HG22 VAL 3 -7.904 -2.419 5.153
20 HG23 VAL 3 HG23 VAL 3 -7.740 -3.721 6.340
21 H THR 4 H THR 4 -4.105 -4.066 4.842
22 HA THR 4 HA THR 4 -3.307 -4.427 2.215
23 HB THR 4 HB THR 4 -4.052 -6.585 4.212
24 HG1 THR 4 HG1 THR 4 -2.552 -5.263 5.171
25 HG21 THR 4 HG21 THR 4 -2.368 -7.918 3.024
26 HG22 THR 4 HG22 THR 4 -2.105 -6.582 1.900
27 HG23 THR 4 HG23 THR 4 -3.656 -7.419 1.925
28 H HIS 5 H HIS 5 -4.292 -5.012 0.424
29 HA HIS 5 HA HIS 5 -5.700 -5.786 -1.091
30 HB2 HIS 5 HB2 HIS 5 -7.128 -7.159 1.188
31 HB3 HIS 5 HB1 HIS 5 -7.637 -7.307 -0.490
32 HD1 HIS 5 HD1 HIS 5 -5.600 -9.004 1.948
33 HD2 HIS 5 HD2 HIS 5 -5.369 -8.344 -2.153
34 HE1 HIS 5 HE1 HIS 5 -4.037 -10.745 1.045
35 H GLU 6 H GLU 6 -6.564 -3.498 1.091
36 HA GLU 6 HA GLU 6 -9.098 -2.957 -0.199
37 HB2 GLU 6 HB2 GLU 6 -7.527 -1.379 1.839
38 HB3 GLU 6 HB1 GLU 6 -9.049 -0.826 1.143
39 HG2 GLU 6 HG2 GLU 6 -10.040 -2.946 2.086
40 HG3 GLU 6 HG1 GLU 6 -8.521 -3.136 2.968
41 H LYS 7 H LYS 7 -9.446 -1.040 -1.418
42 HA LYS 7 HA LYS 7 -7.376 -0.682 -3.324
43 HB2 LYS 7 HB2 LYS 7 -9.987 0.771 -2.997
44 HB3 LYS 7 HB1 LYS 7 -8.903 0.911 -4.376
45 HG2 LYS 7 HG2 LYS 7 -9.208 -1.488 -4.830
46 HG3 LYS 7 HG1 LYS 7 -10.336 -1.578 -3.476
47 HD2 LYS 7 HD2 LYS 7 -11.567 -1.383 -5.538
48 HD3 LYS 7 HD1 LYS 7 -11.757 0.094 -4.594
49 HE2 LYS 7 HE2 LYS 7 -10.038 1.184 -5.954
50 HE3 LYS 7 HE1 LYS 7 -9.853 -0.294 -6.898
51 HZ1 LYS 7 HZ1 LYS 7 -11.222 1.309 -8.008
52 HZ2 LYS 7 HZ2 LYS 7 -12.301 1.374 -6.719
53 HZ3 LYS 7 HZ3 LYS 7 -12.137 -0.046 -7.625
54 H CYS 8 H CYS 8 -6.129 1.050 -3.737
55 HA CYS 8 HA CYS 8 -5.931 3.012 -1.560
56 HB2 CYS 8 HB2 CYS 8 -3.530 3.049 -2.149
57 HB3 CYS 8 HB1 CYS 8 -4.088 1.496 -1.532
58 H SER 9 H SER 9 -5.499 5.111 -2.134
59 HA SER 9 HA SER 9 -5.650 5.715 -4.992
60 HB2 SER 9 HB2 SER 9 -6.104 8.066 -4.191
61 HB3 SER 9 HB1 SER 9 -7.340 6.885 -3.769
62 HG SER 9 HG SER 9 -6.344 6.759 -1.658
63 H ASP 10 H ASP 10 -3.608 5.841 -2.224
64 HA ASP 10 HA ASP 10 -1.379 6.656 -3.855
65 HB2 ASP 10 HB2 ASP 10 -2.282 8.824 -3.001
66 HB3 ASP 10 HB1 ASP 10 -2.137 8.208 -1.358
67 H ASP 11 H ASP 11 0.623 6.448 -2.518
68 HA ASP 11 HA ASP 11 0.615 3.888 -1.263
69 HB2 ASP 11 HB2 ASP 11 2.823 5.946 -1.418
70 HB3 ASP 11 HB1 ASP 11 3.019 4.262 -0.947
71 H TYR 12 H TYR 12 0.809 7.220 -0.155
72 HA TYR 12 HA TYR 12 1.304 6.443 2.572
73 HB2 TYR 12 HB2 TYR 12 0.668 9.118 1.303
74 HB3 TYR 12 HB1 TYR 12 0.996 8.910 3.021
75 HD1 TYR 12 HD1 TYR 12 2.527 8.241 -0.330
76 HD2 TYR 12 HD2 TYR 12 3.190 9.155 3.769
77 HE1 TYR 12 HE1 TYR 12 4.923 8.494 -0.783
78 HE2 TYR 12 HE2 TYR 12 5.594 9.407 3.320
79 HH TYR 12 HH TYR 12 6.824 9.617 0.175
80 H ASP 13 H ASP 13 -1.288 6.391 0.597
81 HA ASP 13 HA ASP 13 -3.342 6.940 2.565
82 HB2 ASP 13 HB2 ASP 13 -3.803 7.582 0.261
83 HB3 ASP 13 HB1 ASP 13 -3.395 5.983 -0.317
84 H CYS 14 H CYS 14 -1.257 4.466 1.812
85 HA CYS 14 HA CYS 14 -3.018 2.357 2.802
86 HB2 CYS 14 HB2 CYS 14 -0.255 2.245 1.585
87 HB3 CYS 14 HB1 CYS 14 -1.170 0.852 2.164
88 H CYS 15 H CYS 15 -2.666 1.367 4.719
89 HA CYS 15 HA CYS 15 -1.264 2.760 6.755
90 HB2 CYS 15 HB2 CYS 15 -2.397 -0.035 6.774
91 HB3 CYS 15 HB1 CYS 15 -1.947 0.903 8.193
92 H GLY 16 H GLY 16 0.419 1.842 8.146
93 HA2 GLY 16 HA2 GLY 16 2.394 0.857 8.597
94 HA3 GLY 16 HA1 GLY 16 1.878 -0.460 7.555
95 H SER 17 H SER 17 3.580 -0.856 6.352
96 HA SER 17 HA SER 17 4.906 1.374 5.010
97 HB2 SER 17 HB2 SER 17 6.683 -0.450 4.606
98 HB3 SER 17 HB1 SER 17 6.498 0.167 6.250
99 HG SER 17 HG SER 17 5.372 -1.636 6.805
100 H LEU 18 H LEU 18 2.353 -0.183 4.389
101 HA LEU 18 HA LEU 18 2.834 -1.696 2.029
102 HB2 LEU 18 HB2 LEU 18 0.291 -0.384 2.970
103 HB3 LEU 18 HB1 LEU 18 0.408 -1.623 1.738
104 HG LEU 18 HG LEU 18 1.001 -1.975 4.678
105 HD11 LEU 18 HD11 LEU 18 -1.358 -1.683 4.237
106 HD12 LEU 18 HD12 LEU 18 -1.013 -3.358 4.675
107 HD13 LEU 18 HD13 LEU 18 -1.297 -2.927 2.989
108 HD21 LEU 18 HD21 LEU 18 0.972 -4.001 2.437
109 HD22 LEU 18 HD22 LEU 18 1.141 -4.369 4.153
110 HD23 LEU 18 HD23 LEU 18 2.394 -3.447 3.324
111 H CYS 19 H CYS 19 2.226 -1.128 -0.088
112 HA CYS 19 HA CYS 19 2.292 1.734 -0.657
113 HB2 CYS 19 HB2 CYS 19 3.660 -0.519 -2.137
114 HB3 CYS 19 HB1 CYS 19 3.617 1.162 -2.663
115 H CYS 20 H CYS 20 1.526 2.081 -2.986
116 HA CYS 20 HA CYS 20 -1.050 0.739 -3.118
117 HB2 CYS 20 HB2 CYS 20 -0.951 3.198 -2.933
118 HB3 CYS 20 HB1 CYS 20 -0.086 3.258 -4.463
119 H VAL 21 H VAL 21 -1.309 -0.838 -4.528
120 HA VAL 21 HA VAL 21 -0.265 -0.540 -7.243
121 HB VAL 21 HB VAL 21 0.063 -3.069 -7.346
122 HG11 VAL 21 HG11 VAL 21 1.831 -1.604 -5.396
123 HG12 VAL 21 HG12 VAL 21 1.993 -1.616 -7.153
124 HG13 VAL 21 3HG1 VAL 21 2.249 -3.099 -6.232
125 HG21 VAL 21 HG21 VAL 21 -1.261 -3.709 -5.391
126 HG22 VAL 21 HG22 VAL 21 -0.126 -2.874 -4.334
127 HG23 VAL 21 HG23 VAL 21 0.395 -4.299 -5.234
128 H GLY 22 H GLY 22 -2.643 0.330 -6.534
129 HA2 GLY 22 HA2 GLY 22 -4.809 0.141 -7.458
130 HA3 GLY 22 HA1 GLY 22 -4.561 -1.603 -7.638
131 H ILE 23 H ILE 23 -3.694 -2.372 -5.380
132 HA ILE 23 HA ILE 23 -5.511 -1.507 -3.260
133 HB ILE 23 HB ILE 23 -5.413 -3.857 -2.397
134 HG12 ILE 23 HG12 ILE 23 -4.201 -4.472 -5.111
135 HG13 ILE 23 HG11 ILE 23 -3.369 -4.581 -3.567
136 HG21 ILE 23 HG21 ILE 23 -7.049 -4.796 -3.963
137 HG22 ILE 23 HG22 ILE 23 -6.626 -3.543 -5.129
138 HG23 ILE 23 HG23 ILE 23 -7.373 -3.101 -3.593
139 HD11 ILE 23 HD11 ILE 23 -4.856 -6.384 -2.886
140 HD12 ILE 23 HD12 ILE 23 -4.040 -6.768 -4.401
141 HD13 ILE 23 HD13 ILE 23 -5.725 -6.251 -4.413
142 H CYS 24 H CYS 24 -4.574 -1.773 -1.143
143 HA CYS 24 HA CYS 24 -1.827 -1.048 -1.102
144 HB2 CYS 24 HB2 CYS 24 -3.689 -1.769 1.155
145 HB3 CYS 24 HB1 CYS 24 -2.090 -1.058 1.350
146 H ALA 25 H ALA 25 -0.127 -2.289 -1.089
147 HA ALA 25 HA ALA 25 -0.159 -4.910 0.164
148 HB1 ALA 25 HB1 ALA 25 0.745 -6.004 -1.825
149 HB2 ALA 25 HB2 ALA 25 0.609 -4.496 -2.725
150 HB3 ALA 25 HB3 ALA 25 -0.847 -5.321 -2.174
151 H LYS 26 H LYS 26 2.109 -5.747 0.255
152 HA LYS 26 HA LYS 26 3.904 -3.499 0.659
153 HB2 LYS 26 HB2 LYS 26 3.670 -5.100 2.510
154 HB3 LYS 26 HB1 LYS 26 4.141 -6.414 1.449
155 HG2 LYS 26 HG2 LYS 26 5.955 -5.752 2.956
156 HG3 LYS 26 HG1 LYS 26 6.382 -5.506 1.264
157 HD2 LYS 26 HD2 LYS 26 5.922 -3.120 1.477
158 HD3 LYS 26 HD1 LYS 26 5.428 -3.350 3.155
159 HE2 LYS 26 HE2 LYS 26 7.740 -2.489 2.950
160 HE3 LYS 26 HE1 LYS 26 7.669 -4.054 3.756
161 HZ1 LYS 26 HZ1 LYS 26 8.338 -5.109 1.699
162 HZ2 LYS 26 HZ2 LYS 26 9.475 -3.972 2.125
163 HZ3 LYS 26 HZ3 LYS 26 8.376 -3.643 0.894
164 H THR 27 H THR 27 5.206 -2.948 -0.954
165 HA THR 27 HA THR 27 5.792 -4.804 -3.074
166 HB THR 27 HB THR 27 6.882 -2.692 -3.997
167 HG1 THR 27 HG1 THR 27 6.947 -1.007 -2.734
168 HG21 THR 27 HG21 THR 27 4.716 -1.640 -4.538
169 HG22 THR 27 HG22 THR 27 3.946 -2.575 -3.257
170 HG23 THR 27 HG23 THR 27 4.617 -3.395 -4.665
171 H ILE 28 H ILE 28 8.073 -4.876 -3.823
172 HA ILE 28 HA ILE 28 9.901 -5.422 -1.682
173 HB ILE 28 HB ILE 28 10.539 -5.140 -4.637
174 HG12 ILE 28 HG12 ILE 28 9.713 -7.654 -3.165
175 HG13 ILE 28 HG11 ILE 28 8.669 -6.743 -4.248
176 HG21 ILE 28 HG21 ILE 28 12.386 -6.682 -4.109
177 HG22 ILE 28 HG22 ILE 28 11.898 -6.677 -2.415
178 HG23 ILE 28 HG23 ILE 28 12.487 -5.194 -3.165
179 HD11 ILE 28 HD11 ILE 28 10.166 -7.211 -6.106
180 HD12 ILE 28 HD12 ILE 28 9.621 -8.704 -5.339
181 HD13 ILE 28 HD13 ILE 28 11.244 -8.089 -5.022
182 H ALA 29 H ALA 29 9.432 -2.959 -4.135
183 HA ALA 29 HA ALA 29 11.676 -1.406 -3.193
184 HB1 ALA 29 HB1 ALA 29 11.206 -1.525 -5.593
185 HB2 ALA 29 HB2 ALA 29 11.124 0.127 -4.987
186 HB3 ALA 29 HB3 ALA 29 9.636 -0.764 -5.318
187 HA PRO 30 HA PRO 30 9.088 0.690 -0.288
188 HB2 PRO 30 HB2 PRO 30 10.865 2.615 0.442
189 HB3 PRO 30 HB1 PRO 30 10.925 0.949 1.029
190 HG2 PRO 30 HG2 PRO 30 12.538 2.261 -1.107
191 HG3 PRO 30 HG1 PRO 30 13.035 1.074 0.109
192 HD2 PRO 30 HD2 PRO 30 12.504 0.447 -2.488
193 HD3 PRO 30 HD1 PRO 30 12.308 -0.702 -1.161
194 H CYS 31 H CYS 31 7.513 1.997 -0.784
195 HA CYS 31 HA CYS 31 7.846 4.077 -2.771
196 HB2 CYS 31 HB2 CYS 31 5.399 4.358 -2.429
197 HB3 CYS 31 HB1 CYS 31 5.842 2.706 -2.853
198 H LYS 32 H LYS 32 7.593 3.627 0.636
199 HA LYS 32 HA LYS 32 7.404 6.494 1.103
200 HB2 LYS 32 HB2 LYS 32 7.284 4.197 3.079
201 HB3 LYS 32 HB1 LYS 32 6.945 5.886 3.421
202 HG2 LYS 32 HG2 LYS 32 5.007 5.793 1.927
203 HG3 LYS 32 HG1 LYS 32 5.342 4.091 1.613
204 HD2 LYS 32 HD2 LYS 32 5.056 3.621 4.016
205 HD3 LYS 32 HD1 LYS 32 4.651 5.319 4.283
206 HE2 LYS 32 HE2 LYS 32 2.784 5.041 2.640
207 HE3 LYS 32 HE1 LYS 32 3.145 3.321 2.602
208 HZ1 LYS 32 HZ1 LYS 32 2.660 3.234 5.015
209 HZ2 LYS 32 HZ2 LYS 32 1.338 3.785 4.149
210 HZ3 LYS 32 HZ3 LYS 32 2.285 4.866 4.990
Start of MODEL 11
1 H1 CYS 1 HT1 CYS 1 -6.134 5.448 7.718
2 H2 CYS 1 HT2 CYS 1 -6.381 3.821 8.080
3 H3 CYS 1 HT3 CYS 1 -7.419 4.589 7.019
4 HA CYS 1 HA CYS 1 -5.646 4.853 5.439
5 HB2 CYS 1 HB2 CYS 1 -3.527 3.629 5.872
6 HB3 CYS 1 HB1 CYS 1 -3.773 4.962 6.993
7 H ALA 2 H ALA 2 -5.380 3.176 3.873
8 HA ALA 2 HA ALA 2 -7.195 0.980 4.274
9 HB1 ALA 2 HB1 ALA 2 -6.797 0.549 1.902
10 HB2 ALA 2 HB2 ALA 2 -5.517 1.759 1.894
11 HB3 ALA 2 HB3 ALA 2 -7.187 2.246 2.176
12 H VAL 3 H VAL 3 -6.634 -1.075 4.531
13 HA VAL 3 HA VAL 3 -3.832 -1.636 5.105
14 HB VAL 3 HB VAL 3 -4.614 -3.774 6.001
15 HG11 VAL 3 HG11 VAL 3 -6.217 -1.428 6.979
16 HG12 VAL 3 HG12 VAL 3 -4.595 -1.887 7.496
17 HG13 VAL 3 3HG1 VAL 3 -5.969 -2.930 7.867
18 HG21 VAL 3 HG21 VAL 3 -7.034 -4.298 6.114
19 HG22 VAL 3 HG22 VAL 3 -6.440 -4.213 4.452
20 HG23 VAL 3 HG23 VAL 3 -7.359 -2.874 5.115
21 H THR 4 H THR 4 -3.420 -4.181 4.470
22 HA THR 4 HA THR 4 -3.059 -4.144 1.692
23 HB THR 4 HB THR 4 -3.005 -6.547 3.548
24 HG1 THR 4 HG1 THR 4 -1.512 -5.099 4.294
25 HG21 THR 4 HG21 THR 4 -1.747 -6.067 0.839
26 HG22 THR 4 HG22 THR 4 -3.061 -7.188 1.195
27 HG23 THR 4 HG23 THR 4 -1.450 -7.471 1.859
28 H HIS 5 H HIS 5 -4.260 -4.876 0.098
29 HA HIS 5 HA HIS 5 -5.776 -5.960 -1.120
30 HB2 HIS 5 HB2 HIS 5 -6.939 -7.103 1.435
31 HB3 HIS 5 HB1 HIS 5 -7.548 -7.468 -0.176
32 HD1 HIS 5 HD1 HIS 5 -5.577 -9.065 2.246
33 HD2 HIS 5 HD2 HIS 5 -5.059 -8.318 -1.808
34 HE1 HIS 5 HE1 HIS 5 -3.865 -10.713 1.446
35 H GLU 6 H GLU 6 -6.472 -3.619 1.134
36 HA GLU 6 HA GLU 6 -9.052 -3.016 -0.004
37 HB2 GLU 6 HB2 GLU 6 -7.224 -1.498 1.866
38 HB3 GLU 6 HB1 GLU 6 -8.716 -0.788 1.240
39 HG2 GLU 6 HG2 GLU 6 -9.870 -2.764 2.327
40 HG3 GLU 6 HG1 GLU 6 -8.326 -3.103 3.110
41 H LYS 7 H LYS 7 -9.426 -1.255 -1.421
42 HA LYS 7 HA LYS 7 -7.408 -0.939 -3.392
43 HB2 LYS 7 HB2 LYS 7 -8.945 0.649 -4.482
44 HB3 LYS 7 HB1 LYS 7 -9.743 -0.853 -4.052
45 HG2 LYS 7 HG2 LYS 7 -10.695 0.268 -2.062
46 HG3 LYS 7 HG1 LYS 7 -9.957 1.774 -2.591
47 HD2 LYS 7 HD2 LYS 7 -11.960 0.169 -4.181
48 HD3 LYS 7 HD1 LYS 7 -12.340 1.582 -3.204
49 HE2 LYS 7 HE2 LYS 7 -10.443 1.576 -5.552
50 HE3 LYS 7 HE1 LYS 7 -12.135 2.047 -5.636
51 HZ1 LYS 7 HZ1 LYS 7 -11.626 3.824 -4.016
52 HZ2 LYS 7 HZ2 LYS 7 -10.759 3.976 -5.439
53 HZ3 LYS 7 HZ3 LYS 7 -9.996 3.399 -4.078
54 H CYS 8 H CYS 8 -6.324 1.056 -4.046
55 HA CYS 8 HA CYS 8 -5.863 2.733 -1.681
56 HB2 CYS 8 HB2 CYS 8 -3.542 2.974 -2.470
57 HB3 CYS 8 HB1 CYS 8 -3.968 1.317 -2.060
58 H SER 9 H SER 9 -5.719 4.880 -1.907
59 HA SER 9 HA SER 9 -6.473 6.023 -4.463
60 HB2 SER 9 HB2 SER 9 -5.845 7.451 -1.877
61 HB3 SER 9 HB1 SER 9 -6.847 8.023 -3.218
62 HG SER 9 HG SER 9 -7.352 5.993 -1.345
63 H ASP 10 H ASP 10 -3.800 6.045 -2.133
64 HA ASP 10 HA ASP 10 -1.831 6.545 -4.118
65 HB2 ASP 10 HB2 ASP 10 -0.928 8.576 -3.116
66 HB3 ASP 10 HB1 ASP 10 -2.602 8.881 -3.558
67 H ASP 11 H ASP 11 0.343 6.838 -2.629
68 HA ASP 11 HA ASP 11 0.461 4.323 -1.299
69 HB2 ASP 11 HB2 ASP 11 2.542 6.514 -1.427
70 HB3 ASP 11 HB1 ASP 11 2.814 4.941 -0.693
71 H TYR 12 H TYR 12 0.096 7.601 -0.128
72 HA TYR 12 HA TYR 12 0.746 6.818 2.569
73 HB2 TYR 12 HB2 TYR 12 -0.273 9.433 1.449
74 HB3 TYR 12 HB1 TYR 12 0.195 9.168 3.126
75 HD1 TYR 12 HD1 TYR 12 1.377 9.746 -0.263
76 HD2 TYR 12 HD2 TYR 12 2.561 8.754 3.699
77 HE1 TYR 12 HE1 TYR 12 3.706 10.285 -0.828
78 HE2 TYR 12 HE2 TYR 12 4.889 9.294 3.146
79 HH TYR 12 HH TYR 12 6.307 9.443 1.211
80 H ASP 13 H ASP 13 -1.841 6.594 0.587
81 HA ASP 13 HA ASP 13 -3.933 6.896 2.526
82 HB2 ASP 13 HB2 ASP 13 -4.353 7.262 0.134
83 HB3 ASP 13 HB1 ASP 13 -3.877 5.612 -0.213
84 H CYS 14 H CYS 14 -1.680 4.553 1.618
85 HA CYS 14 HA CYS 14 -3.108 2.309 2.780
86 HB2 CYS 14 HB2 CYS 14 -0.343 2.471 1.577
87 HB3 CYS 14 HB1 CYS 14 -1.223 1.004 2.011
88 H CYS 15 H CYS 15 -2.466 1.271 4.625
89 HA CYS 15 HA CYS 15 -1.349 2.781 6.722
90 HB2 CYS 15 HB2 CYS 15 -1.789 -0.195 6.546
91 HB3 CYS 15 HB1 CYS 15 -1.482 0.712 8.019
92 H GLY 16 H GLY 16 0.593 2.729 7.735
93 HA2 GLY 16 HA2 GLY 16 2.800 2.417 8.139
94 HA3 GLY 16 HA1 GLY 16 2.508 0.742 7.717
95 H SER 17 H SER 17 4.036 0.099 6.368
96 HA SER 17 HA SER 17 5.178 2.007 4.528
97 HB2 SER 17 HB2 SER 17 6.863 0.087 4.255
98 HB3 SER 17 HB1 SER 17 6.837 0.960 5.786
99 HG SER 17 HG SER 17 6.850 -1.064 6.344
100 H LEU 18 H LEU 18 2.553 0.295 4.274
101 HA LEU 18 HA LEU 18 2.959 -1.339 1.966
102 HB2 LEU 18 HB2 LEU 18 0.421 -0.026 2.934
103 HB3 LEU 18 HB1 LEU 18 0.520 -1.332 1.773
104 HG LEU 18 HG LEU 18 1.216 -1.498 4.703
105 HD11 LEU 18 HD11 LEU 18 -1.157 -1.278 4.316
106 HD12 LEU 18 HD12 LEU 18 -0.769 -2.920 4.834
107 HD13 LEU 18 HD13 LEU 18 -1.103 -2.584 3.133
108 HD21 LEU 18 HD21 LEU 18 2.601 -3.013 3.381
109 HD22 LEU 18 HD22 LEU 18 1.163 -3.647 2.581
110 HD23 LEU 18 HD23 LEU 18 1.402 -3.912 4.309
111 H CYS 19 H CYS 19 2.246 -0.845 -0.184
112 HA CYS 19 HA CYS 19 2.313 2.023 -0.760
113 HB2 CYS 19 HB2 CYS 19 3.644 -0.203 -2.325
114 HB3 CYS 19 HB1 CYS 19 3.648 1.504 -2.755
115 H CYS 20 H CYS 20 1.469 2.429 -3.012
116 HA CYS 20 HA CYS 20 -1.080 0.990 -3.233
117 HB2 CYS 20 HB2 CYS 20 -1.189 3.403 -2.974
118 HB3 CYS 20 HB1 CYS 20 -0.134 3.625 -4.358
119 H VAL 21 H VAL 21 -1.185 -0.577 -4.589
120 HA VAL 21 HA VAL 21 -0.369 -0.099 -7.290
121 HB VAL 21 HB VAL 21 1.548 -1.344 -6.451
122 HG11 VAL 21 HG11 VAL 21 0.621 -2.391 -4.501
123 HG12 VAL 21 HG12 VAL 21 1.407 -3.601 -5.514
124 HG13 VAL 21 3HG1 VAL 21 -0.353 -3.470 -5.501
125 HG21 VAL 21 HG21 VAL 21 0.913 -1.875 -8.722
126 HG22 VAL 21 HG22 VAL 21 -0.218 -3.100 -8.157
127 HG23 VAL 21 HG23 VAL 21 1.516 -3.338 -7.938
128 H GLY 22 H GLY 22 -2.633 0.363 -7.093
129 HA2 GLY 22 HA2 GLY 22 -4.745 -0.237 -7.947
130 HA3 GLY 22 HA1 GLY 22 -4.271 -1.936 -7.850
131 H ILE 23 H ILE 23 -3.543 -2.360 -5.505
132 HA ILE 23 HA ILE 23 -5.527 -1.428 -3.579
133 HB ILE 23 HB ILE 23 -5.373 -3.697 -2.531
134 HG12 ILE 23 HG12 ILE 23 -3.948 -4.485 -5.095
135 HG13 ILE 23 HG11 ILE 23 -3.186 -4.341 -3.518
136 HG21 ILE 23 HG21 ILE 23 -6.819 -4.880 -4.132
137 HG22 ILE 23 HG22 ILE 23 -6.402 -3.692 -5.367
138 HG23 ILE 23 HG23 ILE 23 -7.287 -3.193 -3.925
139 HD11 ILE 23 HD11 ILE 23 -4.528 -6.190 -2.690
140 HD12 ILE 23 HD12 ILE 23 -3.632 -6.663 -4.132
141 HD13 ILE 23 HD13 ILE 23 -5.356 -6.300 -4.242
142 H CYS 24 H CYS 24 -4.630 -1.632 -1.375
143 HA CYS 24 HA CYS 24 -1.884 -0.840 -1.311
144 HB2 CYS 24 HB2 CYS 24 -3.838 -1.448 0.913
145 HB3 CYS 24 HB1 CYS 24 -2.225 -0.786 1.152
146 H ALA 25 H ALA 25 -0.196 -2.107 -1.052
147 HA ALA 25 HA ALA 25 -0.407 -4.667 0.238
148 HB1 ALA 25 HB1 ALA 25 0.382 -4.459 -2.677
149 HB2 ALA 25 HB2 ALA 25 -1.089 -5.212 -2.062
150 HB3 ALA 25 HB3 ALA 25 0.485 -5.912 -1.683
151 H LYS 26 H LYS 26 1.790 -5.654 0.325
152 HA LYS 26 HA LYS 26 3.708 -3.540 0.778
153 HB2 LYS 26 HB2 LYS 26 3.342 -5.362 2.462
154 HB3 LYS 26 HB1 LYS 26 3.971 -6.513 1.291
155 HG2 LYS 26 HG2 LYS 26 5.702 -5.956 2.862
156 HG3 LYS 26 HG1 LYS 26 6.112 -5.273 1.288
157 HD2 LYS 26 HD2 LYS 26 5.222 -3.090 2.022
158 HD3 LYS 26 HD1 LYS 26 4.867 -3.786 3.598
159 HE2 LYS 26 HE2 LYS 26 6.934 -2.529 3.672
160 HE3 LYS 26 HE1 LYS 26 7.246 -4.245 3.920
161 HZ1 LYS 26 HZ1 LYS 26 8.017 -4.412 1.632
162 HZ2 LYS 26 HZ2 LYS 26 8.842 -3.186 2.418
163 HZ3 LYS 26 HZ3 LYS 26 7.622 -2.801 1.347
164 H THR 27 H THR 27 5.275 -3.089 -0.653
165 HA THR 27 HA THR 27 5.596 -4.860 -2.923
166 HB THR 27 HB THR 27 6.811 -2.837 -3.869
167 HG1 THR 27 HG1 THR 27 7.181 -1.248 -2.572
168 HG21 THR 27 HG21 THR 27 4.472 -3.309 -4.445
169 HG22 THR 27 HG22 THR 27 4.745 -1.571 -4.311
170 HG23 THR 27 HG23 THR 27 3.939 -2.442 -3.005
171 H ILE 28 H ILE 28 7.802 -5.250 -3.680
172 HA ILE 28 HA ILE 28 9.558 -6.016 -1.568
173 HB ILE 28 HB ILE 28 10.085 -5.887 -4.566
174 HG12 ILE 28 HG12 ILE 28 9.151 -8.227 -2.876
175 HG13 ILE 28 HG11 ILE 28 8.137 -7.307 -3.978
176 HG21 ILE 28 HG21 ILE 28 11.856 -7.538 -4.116
177 HG22 ILE 28 HG22 ILE 28 11.514 -7.430 -2.389
178 HG23 ILE 28 HG23 ILE 28 12.146 -6.027 -3.252
179 HD11 ILE 28 HD11 ILE 28 9.501 -8.066 -5.859
180 HD12 ILE 28 HD12 ILE 28 8.826 -9.421 -4.956
181 HD13 ILE 28 HD13 ILE 28 10.521 -8.980 -4.746
182 H ALA 29 H ALA 29 9.502 -3.546 -4.048
183 HA ALA 29 HA ALA 29 11.788 -2.176 -2.891
184 HB1 ALA 29 HB1 ALA 29 11.525 -0.637 -4.811
185 HB2 ALA 29 HB2 ALA 29 10.084 -1.525 -5.306
186 HB3 ALA 29 HB3 ALA 29 11.658 -2.317 -5.330
187 HA PRO 30 HA PRO 30 8.760 -0.020 -0.329
188 HB2 PRO 30 HB2 PRO 30 11.023 1.642 0.521
189 HB3 PRO 30 HB1 PRO 30 10.009 0.563 1.472
190 HG2 PRO 30 HG2 PRO 30 12.578 -0.014 0.893
191 HG3 PRO 30 HG1 PRO 30 11.337 -1.259 1.086
192 HD2 PRO 30 HD2 PRO 30 12.542 -0.148 -1.409
193 HD3 PRO 30 HD1 PRO 30 12.063 -1.813 -1.005
194 H CYS 31 H CYS 31 7.695 1.913 -0.387
195 HA CYS 31 HA CYS 31 8.555 3.870 -2.405
196 HB2 CYS 31 HB2 CYS 31 6.156 4.530 -2.408
197 HB3 CYS 31 HB1 CYS 31 6.391 2.839 -2.845
198 H LYS 32 H LYS 32 8.259 3.296 0.884
199 HA LYS 32 HA LYS 32 8.187 6.151 1.520
200 HB2 LYS 32 HB2 LYS 32 7.226 3.762 3.104
201 HB3 LYS 32 HB1 LYS 32 7.312 5.401 3.736
202 HG2 LYS 32 HG2 LYS 32 5.653 6.172 2.279
203 HG3 LYS 32 HG1 LYS 32 5.765 4.734 1.266
204 HD2 LYS 32 HD2 LYS 32 4.829 3.394 3.039
205 HD3 LYS 32 HD1 LYS 32 4.770 4.802 4.108
206 HE2 LYS 32 HE2 LYS 32 3.189 5.883 2.676
207 HE3 LYS 32 HE1 LYS 32 3.372 4.629 1.453
208 HZ1 LYS 32 HZ1 LYS 32 2.311 4.143 4.177
209 HZ2 LYS 32 HZ2 LYS 32 2.324 3.069 2.847
210 HZ3 LYS 32 HZ3 LYS 32 1.357 4.442 2.817
Start of MODEL 12
1 H1 CYS 1 HT1 CYS 1 -6.340 4.770 7.616
2 H2 CYS 1 HT2 CYS 1 -7.211 5.579 6.429
3 H3 CYS 1 HT3 CYS 1 -5.799 6.276 7.074
4 HA CYS 1 HA CYS 1 -5.409 5.345 4.902
5 HB2 CYS 1 HB2 CYS 1 -3.495 3.904 5.532
6 HB3 CYS 1 HB1 CYS 1 -3.549 5.385 6.472
7 H ALA 2 H ALA 2 -5.375 3.535 3.542
8 HA ALA 2 HA ALA 2 -7.396 1.554 4.116
9 HB1 ALA 2 HB1 ALA 2 -7.269 2.576 1.886
10 HB2 ALA 2 HB2 ALA 2 -6.988 0.839 1.799
11 HB3 ALA 2 HB3 ALA 2 -5.629 1.957 1.694
12 H VAL 3 H VAL 3 -6.978 -0.618 4.439
13 HA VAL 3 HA VAL 3 -4.263 -1.125 5.365
14 HB VAL 3 HB VAL 3 -5.126 -3.047 6.532
15 HG11 VAL 3 HG11 VAL 3 -6.992 -0.714 6.846
16 HG12 VAL 3 HG12 VAL 3 -5.437 -0.930 7.643
17 HG13 VAL 3 3HG1 VAL 3 -6.780 -2.013 8.017
18 HG21 VAL 3 HG21 VAL 3 -7.738 -2.523 5.122
19 HG22 VAL 3 HG22 VAL 3 -7.520 -3.698 6.425
20 HG23 VAL 3 HG23 VAL 3 -6.683 -3.911 4.883
21 H THR 4 H THR 4 -3.772 -3.654 5.094
22 HA THR 4 HA THR 4 -2.969 -4.068 2.499
23 HB THR 4 HB THR 4 -3.600 -6.235 4.522
24 HG1 THR 4 HG1 THR 4 -2.237 -5.014 5.633
25 HG21 THR 4 HG21 THR 4 -3.017 -7.039 2.261
26 HG22 THR 4 HG22 THR 4 -1.758 -7.431 3.429
27 HG23 THR 4 HG23 THR 4 -1.534 -6.085 2.310
28 H HIS 5 H HIS 5 -3.888 -4.801 0.732
29 HA HIS 5 HA HIS 5 -5.215 -5.777 -0.762
30 HB2 HIS 5 HB2 HIS 5 -6.658 -7.097 1.550
31 HB3 HIS 5 HB1 HIS 5 -6.951 -7.458 -0.146
32 HD1 HIS 5 HD1 HIS 5 -5.313 -8.902 2.578
33 HD2 HIS 5 HD2 HIS 5 -4.174 -8.153 -1.347
34 HE1 HIS 5 HE1 HIS 5 -3.392 -10.476 2.085
35 H GLU 6 H GLU 6 -6.245 -3.407 1.253
36 HA GLU 6 HA GLU 6 -8.829 -3.135 -0.043
37 HB2 GLU 6 HB2 GLU 6 -7.341 -1.345 1.889
38 HB3 GLU 6 HB1 GLU 6 -8.887 -0.898 1.160
39 HG2 GLU 6 HG2 GLU 6 -9.764 -3.014 2.222
40 HG3 GLU 6 HG1 GLU 6 -8.244 -3.065 3.116
41 H LYS 7 H LYS 7 -9.294 -1.191 -1.313
42 HA LYS 7 HA LYS 7 -7.311 -0.866 -3.321
43 HB2 LYS 7 HB2 LYS 7 -9.874 0.665 -2.877
44 HB3 LYS 7 HB1 LYS 7 -8.889 0.732 -4.332
45 HG2 LYS 7 HG2 LYS 7 -9.287 -1.663 -4.691
46 HG3 LYS 7 HG1 LYS 7 -10.326 -1.686 -3.264
47 HD2 LYS 7 HD2 LYS 7 -11.786 -0.018 -4.325
48 HD3 LYS 7 HD1 LYS 7 -10.749 -0.044 -5.753
49 HE2 LYS 7 HE2 LYS 7 -11.230 -2.459 -5.997
50 HE3 LYS 7 HE1 LYS 7 -12.357 -2.337 -4.647
51 HZ1 LYS 7 HZ1 LYS 7 -13.493 -2.188 -6.756
52 HZ2 LYS 7 HZ2 LYS 7 -12.561 -0.851 -7.204
53 HZ3 LYS 7 HZ3 LYS 7 -13.642 -0.732 -5.920
54 H CYS 8 H CYS 8 -6.196 1.012 -3.895
55 HA CYS 8 HA CYS 8 -5.692 2.770 -1.587
56 HB2 CYS 8 HB2 CYS 8 -3.390 2.921 -2.480
57 HB3 CYS 8 HB1 CYS 8 -3.846 1.295 -1.981
58 H SER 9 H SER 9 -5.724 4.922 -1.921
59 HA SER 9 HA SER 9 -6.253 5.872 -4.619
60 HB2 SER 9 HB2 SER 9 -6.164 7.360 -1.981
61 HB3 SER 9 HB1 SER 9 -6.750 8.010 -3.514
62 HG SER 9 HG SER 9 -7.827 5.863 -2.017
63 H ASP 10 H ASP 10 -3.744 5.589 -2.295
64 HA ASP 10 HA ASP 10 -1.728 6.518 -4.060
65 HB2 ASP 10 HB2 ASP 10 -2.438 8.716 -3.197
66 HB3 ASP 10 HB1 ASP 10 -2.326 8.110 -1.545
67 H ASP 11 H ASP 11 0.406 6.288 -2.889
68 HA ASP 11 HA ASP 11 0.529 3.727 -1.622
69 HB2 ASP 11 HB2 ASP 11 2.682 5.845 -1.813
70 HB3 ASP 11 HB1 ASP 11 2.939 4.177 -1.337
71 H TYR 12 H TYR 12 0.696 7.060 -0.483
72 HA TYR 12 HA TYR 12 1.304 6.184 2.185
73 HB2 TYR 12 HB2 TYR 12 0.785 8.948 1.081
74 HB3 TYR 12 HB1 TYR 12 1.262 8.603 2.743
75 HD1 TYR 12 HD1 TYR 12 2.377 8.896 -0.712
76 HD2 TYR 12 HD2 TYR 12 3.538 7.778 3.221
77 HE1 TYR 12 HE1 TYR 12 4.741 8.986 -1.386
78 HE2 TYR 12 HE2 TYR 12 5.902 7.866 2.551
79 HH TYR 12 HH TYR 12 7.181 7.615 0.350
80 H ASP 13 H ASP 13 -1.375 6.365 0.336
81 HA ASP 13 HA ASP 13 -3.311 7.053 2.360
82 HB2 ASP 13 HB2 ASP 13 -3.909 7.482 0.066
83 HB3 ASP 13 HB1 ASP 13 -3.468 5.860 -0.418
84 H CYS 14 H CYS 14 -1.424 4.409 1.518
85 HA CYS 14 HA CYS 14 -3.127 2.412 2.760
86 HB2 CYS 14 HB2 CYS 14 -0.394 2.212 1.506
87 HB3 CYS 14 HB1 CYS 14 -1.381 0.859 2.053
88 H CYS 15 H CYS 15 -2.669 1.448 4.676
89 HA CYS 15 HA CYS 15 -1.249 2.876 6.660
90 HB2 CYS 15 HB2 CYS 15 -2.194 0.007 6.748
91 HB3 CYS 15 HB1 CYS 15 -1.833 1.035 8.126
92 H GLY 16 H GLY 16 0.555 2.112 7.925
93 HA2 GLY 16 HA2 GLY 16 2.601 1.181 8.311
94 HA3 GLY 16 HA1 GLY 16 2.001 -0.225 7.454
95 H SER 17 H SER 17 3.810 -0.708 6.326
96 HA SER 17 HA SER 17 5.112 1.356 4.760
97 HB2 SER 17 HB2 SER 17 6.739 -0.589 4.334
98 HB3 SER 17 HB1 SER 17 6.651 0.053 5.976
99 HG SER 17 HG SER 17 5.632 -1.676 6.644
100 H LEU 18 H LEU 18 2.422 -0.047 4.205
101 HA LEU 18 HA LEU 18 2.753 -1.568 1.831
102 HB2 LEU 18 HB2 LEU 18 0.355 -0.078 2.844
103 HB3 LEU 18 HB1 LEU 18 0.344 -1.263 1.557
104 HG LEU 18 HG LEU 18 0.988 -1.812 4.450
105 HD11 LEU 18 HD11 LEU 18 -1.166 -2.963 4.441
106 HD12 LEU 18 HD12 LEU 18 -1.437 -2.413 2.786
107 HD13 LEU 18 HD13 LEU 18 -1.335 -1.240 4.099
108 HD21 LEU 18 HD21 LEU 18 0.678 -3.659 2.086
109 HD22 LEU 18 HD22 LEU 18 0.817 -4.178 3.759
110 HD23 LEU 18 HD23 LEU 18 2.165 -3.351 2.981
111 H CYS 19 H CYS 19 2.000 -0.965 -0.261
112 HA CYS 19 HA CYS 19 2.249 1.865 -0.879
113 HB2 CYS 19 HB2 CYS 19 3.454 -0.511 -2.281
114 HB3 CYS 19 HB1 CYS 19 3.439 1.115 -2.948
115 H CYS 20 H CYS 20 1.486 2.096 -3.286
116 HA CYS 20 HA CYS 20 -1.148 0.859 -3.350
117 HB2 CYS 20 HB2 CYS 20 -1.015 3.317 -3.265
118 HB3 CYS 20 HB1 CYS 20 -0.080 3.310 -4.750
119 H VAL 21 H VAL 21 -1.451 -0.706 -4.713
120 HA VAL 21 HA VAL 21 -0.267 -0.617 -7.369
121 HB VAL 21 HB VAL 21 1.191 -2.058 -5.960
122 HG11 VAL 21 HG11 VAL 21 0.423 -4.190 -5.044
123 HG12 VAL 21 HG12 VAL 21 -1.241 -3.717 -5.410
124 HG13 VAL 21 3HG1 VAL 21 -0.280 -2.774 -4.267
125 HG21 VAL 21 HG21 VAL 21 1.049 -2.656 -8.279
126 HG22 VAL 21 HG22 VAL 21 -0.393 -3.628 -7.985
127 HG23 VAL 21 HG23 VAL 21 1.161 -4.130 -7.314
128 H GLY 22 H GLY 22 -2.717 0.201 -6.565
129 HA2 GLY 22 HA2 GLY 22 -4.904 -0.080 -7.487
130 HA3 GLY 22 HA1 GLY 22 -4.564 -1.812 -7.655
131 H ILE 23 H ILE 23 -3.660 -2.571 -5.456
132 HA ILE 23 HA ILE 23 -5.518 -1.796 -3.337
133 HB ILE 23 HB ILE 23 -5.139 -4.059 -2.378
134 HG12 ILE 23 HG12 ILE 23 -3.768 -4.672 -5.016
135 HG13 ILE 23 HG11 ILE 23 -2.948 -4.496 -3.471
136 HG21 ILE 23 HG21 ILE 23 -7.133 -3.658 -3.689
137 HG22 ILE 23 HG22 ILE 23 -6.553 -5.303 -3.949
138 HG23 ILE 23 HG23 ILE 23 -6.266 -4.065 -5.171
139 HD11 ILE 23 HD11 ILE 23 -4.975 -6.610 -4.166
140 HD12 ILE 23 HD12 ILE 23 -4.142 -6.443 -2.620
141 HD13 ILE 23 HD13 ILE 23 -3.227 -6.831 -4.077
142 H CYS 24 H CYS 24 -4.541 -2.022 -1.201
143 HA CYS 24 HA CYS 24 -1.884 -0.971 -1.168
144 HB2 CYS 24 HB2 CYS 24 -3.794 -1.679 1.050
145 HB3 CYS 24 HB1 CYS 24 -2.225 -0.915 1.295
146 H ALA 25 H ALA 25 -0.197 -2.156 -1.316
147 HA ALA 25 HA ALA 25 0.158 -4.527 0.292
148 HB1 ALA 25 HB1 ALA 25 -0.792 -5.459 -1.773
149 HB2 ALA 25 HB2 ALA 25 0.918 -5.876 -1.652
150 HB3 ALA 25 HB3 ALA 25 0.401 -4.581 -2.730
151 H LYS 26 H LYS 26 2.442 -4.917 0.580
152 HA LYS 26 HA LYS 26 4.003 -2.529 0.053
153 HB2 LYS 26 HB2 LYS 26 4.200 -3.634 2.275
154 HB3 LYS 26 HB1 LYS 26 4.824 -5.072 1.473
155 HG2 LYS 26 HG2 LYS 26 6.759 -3.798 0.680
156 HG3 LYS 26 HG1 LYS 26 6.142 -2.363 1.489
157 HD2 LYS 26 HD2 LYS 26 7.897 -3.422 2.814
158 HD3 LYS 26 HD1 LYS 26 6.350 -3.497 3.654
159 HE2 LYS 26 HE2 LYS 26 6.070 -5.805 3.065
160 HE3 LYS 26 HE1 LYS 26 7.470 -5.764 2.002
161 HZ1 LYS 26 HZ1 LYS 26 8.876 -5.423 3.925
162 HZ2 LYS 26 HZ2 LYS 26 7.957 -6.817 4.102
163 HZ3 LYS 26 HZ3 LYS 26 7.542 -5.438 4.963
164 H THR 27 H THR 27 5.241 -2.294 -1.664
165 HA THR 27 HA THR 27 5.504 -4.394 -3.530
166 HB THR 27 HB THR 27 6.848 -2.524 -4.707
167 HG1 THR 27 HG1 THR 27 7.319 -1.067 -3.121
168 HG21 THR 27 HG21 THR 27 4.777 -1.338 -5.302
169 HG22 THR 27 HG22 THR 27 3.960 -2.069 -3.920
170 HG23 THR 27 HG23 THR 27 4.510 -3.080 -5.256
171 H ILE 28 H ILE 28 7.850 -4.497 -4.629
172 HA ILE 28 HA ILE 28 9.586 -5.824 -2.853
173 HB ILE 28 HB ILE 28 10.260 -4.569 -5.541
174 HG12 ILE 28 HG12 ILE 28 8.428 -6.177 -5.777
175 HG13 ILE 28 HG11 ILE 28 9.895 -6.809 -6.509
176 HG21 ILE 28 HG21 ILE 28 12.112 -6.181 -5.656
177 HG22 ILE 28 HG22 ILE 28 11.730 -6.719 -4.021
178 HG23 ILE 28 HG23 ILE 28 12.279 -5.066 -4.297
179 HD11 ILE 28 HD11 ILE 28 8.750 -7.594 -3.836
180 HD12 ILE 28 HD12 ILE 28 10.250 -8.211 -4.523
181 HD13 ILE 28 HD13 ILE 28 8.713 -8.548 -5.319
182 H ALA 29 H ALA 29 9.658 -2.611 -4.248
183 HA ALA 29 HA ALA 29 11.651 -1.812 -2.272
184 HB1 ALA 29 HB1 ALA 29 11.962 0.156 -3.690
185 HB2 ALA 29 HB2 ALA 29 10.723 -0.439 -4.797
186 HB3 ALA 29 HB3 ALA 29 12.233 -1.333 -4.595
187 HA PRO 30 HA PRO 30 8.018 -0.126 -0.169
188 HB2 PRO 30 HB2 PRO 30 10.143 1.097 1.492
189 HB3 PRO 30 HB1 PRO 30 8.749 0.134 1.998
190 HG2 PRO 30 HG2 PRO 30 11.195 -0.912 2.038
191 HG3 PRO 30 HG1 PRO 30 9.805 -1.880 1.515
192 HD2 PRO 30 HD2 PRO 30 11.920 -0.562 -0.145
193 HD3 PRO 30 HD1 PRO 30 11.148 -2.150 -0.335
194 H CYS 31 H CYS 31 6.982 1.718 -0.479
195 HA CYS 31 HA CYS 31 8.246 3.890 -1.884
196 HB2 CYS 31 HB2 CYS 31 5.853 4.670 -1.994
197 HB3 CYS 31 HB1 CYS 31 6.173 3.096 -2.730
198 H LYS 32 H LYS 32 7.717 3.141 1.332
199 HA LYS 32 HA LYS 32 7.598 5.967 2.040
200 HB2 LYS 32 HB2 LYS 32 6.828 3.578 3.769
201 HB3 LYS 32 HB1 LYS 32 6.858 5.252 4.294
202 HG2 LYS 32 HG2 LYS 32 5.129 5.643 2.486
203 HG3 LYS 32 HG1 LYS 32 5.007 3.881 2.393
204 HD2 LYS 32 HD2 LYS 32 4.544 3.789 4.794
205 HD3 LYS 32 HD1 LYS 32 4.660 5.546 4.871
206 HE2 LYS 32 HE2 LYS 32 2.382 5.130 4.779
207 HE3 LYS 32 HE1 LYS 32 2.877 5.572 3.135
208 HZ1 LYS 32 HZ1 LYS 32 2.768 3.209 2.490
209 HZ2 LYS 32 HZ2 LYS 32 1.326 3.640 3.265
210 HZ3 LYS 32 HZ3 LYS 32 2.509 2.825 4.116
Start of MODEL 13
1 H1 CYS 1 HT1 CYS 1 -6.148 6.012 7.275
2 H2 CYS 1 HT2 CYS 1 -6.430 4.369 7.644
3 H3 CYS 1 HT3 CYS 1 -7.484 5.192 6.631
4 HA CYS 1 HA CYS 1 -5.898 5.365 4.960
5 HB2 CYS 1 HB2 CYS 1 -3.694 4.147 5.268
6 HB3 CYS 1 HB1 CYS 1 -3.860 5.623 6.207
7 H ALA 2 H ALA 2 -5.216 3.414 3.593
8 HA ALA 2 HA ALA 2 -7.258 1.396 4.028
9 HB1 ALA 2 HB1 ALA 2 -7.076 2.450 1.824
10 HB2 ALA 2 HB2 ALA 2 -6.755 0.721 1.730
11 HB3 ALA 2 HB3 ALA 2 -5.419 1.870 1.682
12 H VAL 3 H VAL 3 -6.830 -0.681 4.558
13 HA VAL 3 HA VAL 3 -4.097 -1.240 5.365
14 HB VAL 3 HB VAL 3 -4.948 -3.189 6.516
15 HG11 VAL 3 HG11 VAL 3 -6.508 -2.167 8.100
16 HG12 VAL 3 HG12 VAL 3 -6.737 -0.822 6.983
17 HG13 VAL 3 3HG1 VAL 3 -5.154 -1.109 7.704
18 HG21 VAL 3 HG21 VAL 3 -7.606 -2.570 5.242
19 HG22 VAL 3 HG22 VAL 3 -7.342 -3.796 6.486
20 HG23 VAL 3 HG23 VAL 3 -6.584 -3.963 4.900
21 H THR 4 H THR 4 -3.749 -3.818 5.105
22 HA THR 4 HA THR 4 -2.918 -4.227 2.513
23 HB THR 4 HB THR 4 -3.618 -6.445 4.457
24 HG1 THR 4 HG1 THR 4 -2.355 -5.028 5.625
25 HG21 THR 4 HG21 THR 4 -2.912 -7.144 2.203
26 HG22 THR 4 HG22 THR 4 -1.687 -7.554 3.406
27 HG23 THR 4 HG23 THR 4 -1.463 -6.153 2.355
28 H HIS 5 H HIS 5 -3.868 -4.796 0.726
29 HA HIS 5 HA HIS 5 -5.190 -5.639 -0.808
30 HB2 HIS 5 HB2 HIS 5 -6.503 -7.181 1.424
31 HB3 HIS 5 HB1 HIS 5 -7.005 -7.323 -0.257
32 HD1 HIS 5 HD1 HIS 5 -4.586 -8.651 2.149
33 HD2 HIS 5 HD2 HIS 5 -4.914 -8.341 -1.979
34 HE1 HIS 5 HE1 HIS 5 -2.882 -10.240 1.188
35 H GLU 6 H GLU 6 -6.205 -3.413 1.326
36 HA GLU 6 HA GLU 6 -8.810 -3.060 0.126
37 HB2 GLU 6 HB2 GLU 6 -7.209 -1.361 2.027
38 HB3 GLU 6 HB1 GLU 6 -8.718 -0.798 1.315
39 HG2 GLU 6 HG2 GLU 6 -9.738 -2.875 2.345
40 HG3 GLU 6 HG1 GLU 6 -8.230 -3.014 3.255
41 H LYS 7 H LYS 7 -9.352 -1.080 -1.081
42 HA LYS 7 HA LYS 7 -7.582 -0.719 -3.232
43 HB2 LYS 7 HB2 LYS 7 -10.052 -0.629 -3.353
44 HB3 LYS 7 HB1 LYS 7 -10.016 0.848 -2.398
45 HG2 LYS 7 HG2 LYS 7 -8.739 1.931 -4.141
46 HG3 LYS 7 HG1 LYS 7 -8.822 0.450 -5.107
47 HD2 LYS 7 HD2 LYS 7 -11.294 0.608 -5.052
48 HD3 LYS 7 HD1 LYS 7 -11.152 2.149 -4.202
49 HE2 LYS 7 HE2 LYS 7 -11.523 2.561 -6.548
50 HE3 LYS 7 HE1 LYS 7 -9.881 3.034 -6.115
51 HZ1 LYS 7 HZ1 LYS 7 -9.056 0.988 -7.080
52 HZ2 LYS 7 HZ2 LYS 7 -9.994 1.797 -8.217
53 HZ3 LYS 7 HZ3 LYS 7 -10.624 0.475 -7.413
54 H CYS 8 H CYS 8 -6.299 1.058 -3.707
55 HA CYS 8 HA CYS 8 -5.847 2.913 -1.477
56 HB2 CYS 8 HB2 CYS 8 -3.517 3.039 -2.370
57 HB3 CYS 8 HB1 CYS 8 -3.965 1.470 -1.710
58 H SER 9 H SER 9 -5.685 5.045 -1.928
59 HA SER 9 HA SER 9 -6.311 5.862 -4.655
60 HB2 SER 9 HB2 SER 9 -6.156 7.497 -2.114
61 HB3 SER 9 HB1 SER 9 -6.863 7.985 -3.660
62 HG SER 9 HG SER 9 -7.772 6.076 -1.809
63 H ASP 10 H ASP 10 -3.728 5.621 -2.429
64 HA ASP 10 HA ASP 10 -1.767 6.594 -4.231
65 HB2 ASP 10 HB2 ASP 10 -2.549 8.771 -3.304
66 HB3 ASP 10 HB1 ASP 10 -2.280 8.152 -1.675
67 H ASP 11 H ASP 11 0.407 6.400 -3.072
68 HA ASP 11 HA ASP 11 0.511 3.851 -1.777
69 HB2 ASP 11 HB2 ASP 11 2.714 5.904 -2.095
70 HB3 ASP 11 HB1 ASP 11 2.935 4.240 -1.584
71 H TYR 12 H TYR 12 0.704 7.192 -0.691
72 HA TYR 12 HA TYR 12 1.399 6.350 1.984
73 HB2 TYR 12 HB2 TYR 12 0.772 9.106 0.897
74 HB3 TYR 12 HB1 TYR 12 1.397 8.764 2.507
75 HD1 TYR 12 HD1 TYR 12 2.207 9.100 -1.011
76 HD2 TYR 12 HD2 TYR 12 3.722 7.923 2.775
77 HE1 TYR 12 HE1 TYR 12 4.491 9.201 -1.909
78 HE2 TYR 12 HE2 TYR 12 6.019 8.022 1.886
79 HH TYR 12 HH TYR 12 7.098 7.826 -0.325
80 H ASP 13 H ASP 13 -1.273 6.227 0.273
81 HA ASP 13 HA ASP 13 -3.192 7.055 2.288
82 HB2 ASP 13 HB2 ASP 13 -3.741 7.421 -0.068
83 HB3 ASP 13 HB1 ASP 13 -3.466 5.729 -0.425
84 H CYS 14 H CYS 14 -1.262 4.438 1.525
85 HA CYS 14 HA CYS 14 -2.982 2.431 2.705
86 HB2 CYS 14 HB2 CYS 14 -0.213 2.245 1.513
87 HB3 CYS 14 HB1 CYS 14 -1.195 0.891 2.073
88 H CYS 15 H CYS 15 -2.475 1.348 4.573
89 HA CYS 15 HA CYS 15 -1.131 2.863 6.587
90 HB2 CYS 15 HB2 CYS 15 -2.251 0.066 6.726
91 HB3 CYS 15 HB1 CYS 15 -1.849 1.100 8.088
92 H GLY 16 H GLY 16 0.732 2.274 7.739
93 HA2 GLY 16 HA2 GLY 16 2.657 1.136 8.306
94 HA3 GLY 16 HA1 GLY 16 2.038 -0.252 7.420
95 H SER 17 H SER 17 3.718 -0.817 6.154
96 HA SER 17 HA SER 17 5.075 1.270 4.642
97 HB2 SER 17 HB2 SER 17 6.631 -0.688 4.113
98 HB3 SER 17 HB1 SER 17 6.608 -0.115 5.781
99 HG SER 17 HG SER 17 6.085 -2.012 6.311
100 H LEU 18 H LEU 18 2.345 -0.170 4.164
101 HA LEU 18 HA LEU 18 2.670 -1.625 1.741
102 HB2 LEU 18 HB2 LEU 18 0.260 -0.233 2.843
103 HB3 LEU 18 HB1 LEU 18 0.248 -1.378 1.515
104 HG LEU 18 HG LEU 18 0.945 -1.971 4.381
105 HD11 LEU 18 HD11 LEU 18 -1.167 -3.208 4.333
106 HD12 LEU 18 HD12 LEU 18 -1.469 -2.579 2.711
107 HD13 LEU 18 HD13 LEU 18 -1.381 -1.476 4.085
108 HD21 LEU 18 HD21 LEU 18 0.874 -4.323 3.682
109 HD22 LEU 18 HD22 LEU 18 2.154 -3.441 2.854
110 HD23 LEU 18 HD23 LEU 18 0.653 -3.816 2.008
111 H CYS 19 H CYS 19 2.204 -0.986 -0.328
112 HA CYS 19 HA CYS 19 2.104 1.888 -0.772
113 HB2 CYS 19 HB2 CYS 19 3.673 -0.167 -2.352
114 HB3 CYS 19 HB1 CYS 19 3.561 1.552 -2.725
115 H CYS 20 H CYS 20 1.453 2.160 -3.262
116 HA CYS 20 HA CYS 20 -1.104 0.771 -3.308
117 HB2 CYS 20 HB2 CYS 20 -1.095 3.227 -3.185
118 HB3 CYS 20 HB1 CYS 20 -0.212 3.290 -4.703
119 H VAL 21 H VAL 21 -1.282 -0.839 -4.627
120 HA VAL 21 HA VAL 21 -0.175 -0.649 -7.341
121 HB VAL 21 HB VAL 21 0.083 -3.168 -7.339
122 HG11 VAL 21 HG11 VAL 21 2.053 -1.809 -7.026
123 HG12 VAL 21 HG12 VAL 21 2.166 -3.273 -6.050
124 HG13 VAL 21 3HG1 VAL 21 1.756 -1.736 -5.290
125 HG21 VAL 21 HG21 VAL 21 -0.324 -2.916 -4.355
126 HG22 VAL 21 HG22 VAL 21 0.198 -4.375 -5.199
127 HG23 VAL 21 HG23 VAL 21 -1.412 -3.718 -5.488
128 H GLY 22 H GLY 22 -2.619 0.259 -6.484
129 HA2 GLY 22 HA2 GLY 22 -4.752 0.082 -7.568
130 HA3 GLY 22 HA1 GLY 22 -4.467 -1.658 -7.731
131 H ILE 23 H ILE 23 -3.618 -2.379 -5.476
132 HA ILE 23 HA ILE 23 -5.507 -1.533 -3.402
133 HB ILE 23 HB ILE 23 -5.401 -3.825 -2.466
134 HG12 ILE 23 HG12 ILE 23 -3.911 -4.558 -5.004
135 HG13 ILE 23 HG11 ILE 23 -3.187 -4.446 -3.406
136 HG21 ILE 23 HG21 ILE 23 -7.257 -3.270 -3.923
137 HG22 ILE 23 HG22 ILE 23 -6.805 -4.963 -4.128
138 HG23 ILE 23 HG23 ILE 23 -6.326 -3.770 -5.336
139 HD11 ILE 23 HD11 ILE 23 -5.331 -6.379 -4.249
140 HD12 ILE 23 HD12 ILE 23 -4.611 -6.278 -2.643
141 HD13 ILE 23 HD13 ILE 23 -3.623 -6.752 -4.021
142 H CYS 24 H CYS 24 -4.542 -1.885 -1.231
143 HA CYS 24 HA CYS 24 -1.807 -1.033 -1.232
144 HB2 CYS 24 HB2 CYS 24 -3.672 -1.688 1.048
145 HB3 CYS 24 HB1 CYS 24 -2.069 -0.982 1.224
146 H ALA 25 H ALA 25 -0.176 -2.326 -1.360
147 HA ALA 25 HA ALA 25 -0.199 -4.864 0.045
148 HB1 ALA 25 HB1 ALA 25 -0.937 -5.430 -2.229
149 HB2 ALA 25 HB2 ALA 25 0.686 -6.051 -1.926
150 HB3 ALA 25 HB3 ALA 25 0.466 -4.596 -2.895
151 H LYS 26 H LYS 26 2.014 -5.718 0.151
152 HA LYS 26 HA LYS 26 3.846 -3.531 0.604
153 HB2 LYS 26 HB2 LYS 26 3.459 -5.449 2.218
154 HB3 LYS 26 HB1 LYS 26 4.282 -6.484 1.063
155 HG2 LYS 26 HG2 LYS 26 6.302 -5.154 1.287
156 HG3 LYS 26 HG1 LYS 26 5.476 -4.072 2.409
157 HD2 LYS 26 HD2 LYS 26 5.070 -6.023 3.894
158 HD3 LYS 26 HD1 LYS 26 6.064 -7.000 2.813
159 HE2 LYS 26 HE2 LYS 26 6.958 -4.529 4.276
160 HE3 LYS 26 HE1 LYS 26 7.325 -6.183 4.767
161 HZ1 LYS 26 HZ1 LYS 26 8.186 -4.895 2.229
162 HZ2 LYS 26 HZ2 LYS 26 8.587 -6.461 2.708
163 HZ3 LYS 26 HZ3 LYS 26 9.135 -5.129 3.588
164 H THR 27 H THR 27 5.177 -2.903 -0.939
165 HA THR 27 HA THR 27 5.446 -4.439 -3.318
166 HB THR 27 HB THR 27 6.789 -2.320 -3.939
167 HG1 THR 27 HG1 THR 27 7.004 -0.917 -2.452
168 HG21 THR 27 HG21 THR 27 3.852 -2.164 -3.234
169 HG22 THR 27 HG22 THR 27 4.519 -2.774 -4.749
170 HG23 THR 27 HG23 THR 27 4.696 -1.070 -4.329
171 H ILE 28 H ILE 28 7.738 -4.296 -4.353
172 HA ILE 28 HA ILE 28 9.582 -5.720 -2.707
173 HB ILE 28 HB ILE 28 10.027 -4.422 -5.423
174 HG12 ILE 28 HG12 ILE 28 9.246 -7.277 -4.790
175 HG13 ILE 28 HG11 ILE 28 8.136 -6.040 -5.364
176 HG21 ILE 28 HG21 ILE 28 11.547 -6.630 -4.022
177 HG22 ILE 28 HG22 ILE 28 12.118 -4.982 -4.287
178 HG23 ILE 28 HG23 ILE 28 11.853 -6.055 -5.661
179 HD11 ILE 28 HD11 ILE 28 10.523 -7.094 -6.845
180 HD12 ILE 28 HD12 ILE 28 9.400 -5.866 -7.433
181 HD13 ILE 28 HD13 ILE 28 8.838 -7.517 -7.156
182 H ALA 29 H ALA 29 9.485 -2.535 -4.204
183 HA ALA 29 HA ALA 29 11.593 -1.611 -2.417
184 HB1 ALA 29 HB1 ALA 29 11.713 0.335 -3.911
185 HB2 ALA 29 HB2 ALA 29 10.378 -0.309 -4.864
186 HB3 ALA 29 HB3 ALA 29 11.917 -1.167 -4.810
187 HA PRO 30 HA PRO 30 8.250 0.178 -0.112
188 HB2 PRO 30 HB2 PRO 30 9.719 1.519 1.721
189 HB3 PRO 30 HB1 PRO 30 9.502 -0.235 1.773
190 HG2 PRO 30 HG2 PRO 30 11.836 1.364 0.847
191 HG3 PRO 30 HG1 PRO 30 11.807 -0.192 1.689
192 HD2 PRO 30 HD2 PRO 30 12.212 0.133 -1.023
193 HD3 PRO 30 HD1 PRO 30 11.641 -1.364 -0.266
194 H CYS 31 H CYS 31 7.081 1.970 -0.373
195 HA CYS 31 HA CYS 31 8.149 4.185 -1.858
196 HB2 CYS 31 HB2 CYS 31 5.742 4.918 -1.753
197 HB3 CYS 31 HB1 CYS 31 6.014 3.353 -2.515
198 H LYS 32 H LYS 32 7.990 3.401 1.365
199 HA LYS 32 HA LYS 32 7.841 6.211 2.149
200 HB2 LYS 32 HB2 LYS 32 7.113 3.787 3.802
201 HB3 LYS 32 HB1 LYS 32 7.067 5.454 4.353
202 HG2 LYS 32 HG2 LYS 32 5.340 5.936 2.659
203 HG3 LYS 32 HG1 LYS 32 5.358 4.234 2.195
204 HD2 LYS 32 HD2 LYS 32 4.744 3.633 4.502
205 HD3 LYS 32 HD1 LYS 32 4.658 5.348 4.901
206 HE2 LYS 32 HE2 LYS 32 2.901 5.642 3.226
207 HE3 LYS 32 HE1 LYS 32 2.970 3.918 2.848
208 HZ1 LYS 32 HZ1 LYS 32 2.188 5.144 5.431
209 HZ2 LYS 32 HZ2 LYS 32 2.454 3.517 5.220
210 HZ3 LYS 32 HZ3 LYS 32 1.177 4.263 4.399
Start of MODEL 14
1 H1 CYS 1 HT1 CYS 1 -5.793 6.101 7.140
2 H2 CYS 1 HT2 CYS 1 -6.169 4.561 7.748
3 H3 CYS 1 HT3 CYS 1 -7.230 5.318 6.696
4 HA CYS 1 HA CYS 1 -5.667 5.145 4.933
5 HB2 CYS 1 HB2 CYS 1 -3.619 3.743 5.348
6 HB3 CYS 1 HB1 CYS 1 -3.573 5.327 6.096
7 H ALA 2 H ALA 2 -5.286 3.087 3.746
8 HA ALA 2 HA ALA 2 -7.294 1.131 4.516
9 HB1 ALA 2 HB1 ALA 2 -7.434 2.101 2.300
10 HB2 ALA 2 HB2 ALA 2 -7.089 0.376 2.200
11 HB3 ALA 2 HB3 ALA 2 -5.799 1.553 1.931
12 H VAL 3 H VAL 3 -6.815 -1.061 4.572
13 HA VAL 3 HA VAL 3 -4.059 -1.616 5.361
14 HB VAL 3 HB VAL 3 -4.914 -3.687 6.314
15 HG11 VAL 3 HG11 VAL 3 -6.665 -1.340 7.032
16 HG12 VAL 3 HG12 VAL 3 -5.071 -1.691 7.696
17 HG13 VAL 3 3HG1 VAL 3 -6.422 -2.777 8.025
18 HG21 VAL 3 HG21 VAL 3 -7.341 -4.209 6.264
19 HG22 VAL 3 HG22 VAL 3 -6.585 -4.253 4.666
20 HG23 VAL 3 HG23 VAL 3 -7.563 -2.871 5.127
21 H THR 4 H THR 4 -3.612 -4.196 4.814
22 HA THR 4 HA THR 4 -2.990 -4.267 2.116
23 HB THR 4 HB THR 4 -3.318 -6.650 3.958
24 HG1 THR 4 HG1 THR 4 -0.916 -6.112 4.172
25 HG21 THR 4 HG21 THR 4 -2.865 -7.179 1.597
26 HG22 THR 4 HG22 THR 4 -1.477 -7.584 2.609
27 HG23 THR 4 HG23 THR 4 -1.458 -6.116 1.629
28 H HIS 5 H HIS 5 -4.056 -4.959 0.399
29 HA HIS 5 HA HIS 5 -5.481 -5.933 -0.988
30 HB2 HIS 5 HB2 HIS 5 -6.752 -7.247 1.420
31 HB3 HIS 5 HB1 HIS 5 -7.334 -7.486 -0.225
32 HD1 HIS 5 HD1 HIS 5 -5.395 -9.243 2.102
33 HD2 HIS 5 HD2 HIS 5 -4.846 -8.239 -1.890
34 HE1 HIS 5 HE1 HIS 5 -3.711 -10.875 1.193
35 H GLU 6 H GLU 6 -6.306 -3.610 1.164
36 HA GLU 6 HA GLU 6 -8.876 -3.122 -0.080
37 HB2 GLU 6 HB2 GLU 6 -7.204 -1.598 1.883
38 HB3 GLU 6 HB1 GLU 6 -8.628 -0.862 1.132
39 HG2 GLU 6 HG2 GLU 6 -9.887 -2.822 2.100
40 HG3 GLU 6 HG1 GLU 6 -8.417 -3.181 3.013
41 H LYS 7 H LYS 7 -9.241 -1.148 -1.351
42 HA LYS 7 HA LYS 7 -7.171 -0.860 -3.278
43 HB2 LYS 7 HB2 LYS 7 -9.769 0.623 -2.969
44 HB3 LYS 7 HB1 LYS 7 -8.643 0.886 -4.288
45 HG2 LYS 7 HG2 LYS 7 -8.907 -1.519 -4.892
46 HG3 LYS 7 HG1 LYS 7 -10.186 -1.620 -3.676
47 HD2 LYS 7 HD2 LYS 7 -11.399 0.165 -4.809
48 HD3 LYS 7 HD1 LYS 7 -10.127 0.268 -6.016
49 HE2 LYS 7 HE2 LYS 7 -10.581 -2.072 -6.653
50 HE3 LYS 7 HE1 LYS 7 -11.910 -2.096 -5.493
51 HZ1 LYS 7 HZ1 LYS 7 -12.997 -0.336 -6.743
52 HZ2 LYS 7 HZ2 LYS 7 -12.681 -1.640 -7.749
53 HZ3 LYS 7 HZ3 LYS 7 -11.717 -0.273 -7.831
54 H CYS 8 H CYS 8 -6.127 1.102 -3.869
55 HA CYS 8 HA CYS 8 -5.687 2.790 -1.521
56 HB2 CYS 8 HB2 CYS 8 -3.397 3.074 -2.420
57 HB3 CYS 8 HB1 CYS 8 -3.774 1.425 -1.936
58 H SER 9 H SER 9 -5.811 4.905 -1.766
59 HA SER 9 HA SER 9 -6.540 5.995 -4.359
60 HB2 SER 9 HB2 SER 9 -6.191 7.490 -1.768
61 HB3 SER 9 HB1 SER 9 -7.267 7.872 -3.119
62 HG SER 9 HG SER 9 -7.452 5.885 -1.158
63 H ASP 10 H ASP 10 -3.868 5.747 -2.169
64 HA ASP 10 HA ASP 10 -1.963 6.865 -3.948
65 HB2 ASP 10 HB2 ASP 10 -2.848 8.989 -2.952
66 HB3 ASP 10 HB1 ASP 10 -2.538 8.348 -1.345
67 H ASP 11 H ASP 11 0.227 6.788 -2.701
68 HA ASP 11 HA ASP 11 0.499 4.219 -1.529
69 HB2 ASP 11 HB2 ASP 11 2.470 6.519 -1.556
70 HB3 ASP 11 HB1 ASP 11 2.853 4.846 -1.170
71 H TYR 12 H TYR 12 0.339 7.491 -0.251
72 HA TYR 12 HA TYR 12 0.800 6.541 2.436
73 HB2 TYR 12 HB2 TYR 12 0.349 9.298 1.308
74 HB3 TYR 12 HB1 TYR 12 0.414 8.991 3.042
75 HD1 TYR 12 HD1 TYR 12 2.466 9.091 4.126
76 HD2 TYR 12 HD2 TYR 12 2.382 8.392 -0.058
77 HE1 TYR 12 HE1 TYR 12 4.923 9.206 4.062
78 HE2 TYR 12 HE2 TYR 12 4.828 8.510 -0.140
79 HH TYR 12 HH TYR 12 6.623 9.454 1.136
80 H ASP 13 H ASP 13 -1.684 6.335 0.514
81 HA ASP 13 HA ASP 13 -3.741 6.901 2.489
82 HB2 ASP 13 HB2 ASP 13 -4.243 7.358 0.122
83 HB3 ASP 13 HB1 ASP 13 -3.882 5.692 -0.291
84 H CYS 14 H CYS 14 -1.571 4.513 1.694
85 HA CYS 14 HA CYS 14 -3.143 2.334 2.844
86 HB2 CYS 14 HB2 CYS 14 -0.407 2.313 1.561
87 HB3 CYS 14 HB1 CYS 14 -1.340 0.906 2.067
88 H CYS 15 H CYS 15 -2.571 1.372 4.740
89 HA CYS 15 HA CYS 15 -1.175 2.899 6.680
90 HB2 CYS 15 HB2 CYS 15 -2.094 0.027 6.773
91 HB3 CYS 15 HB1 CYS 15 -1.630 1.010 8.159
92 H GLY 16 H GLY 16 0.696 2.281 7.889
93 HA2 GLY 16 HA2 GLY 16 2.821 1.579 8.195
94 HA3 GLY 16 HA1 GLY 16 2.275 0.048 7.546
95 H SER 17 H SER 17 3.974 -0.513 6.338
96 HA SER 17 HA SER 17 5.267 1.386 4.614
97 HB2 SER 17 HB2 SER 17 6.739 -0.637 4.168
98 HB3 SER 17 HB1 SER 17 6.699 -0.039 5.830
99 HG SER 17 HG SER 17 6.255 -2.052 6.243
100 H LEU 18 H LEU 18 2.451 -0.080 4.189
101 HA LEU 18 HA LEU 18 2.698 -1.545 1.773
102 HB2 LEU 18 HB2 LEU 18 0.335 -0.001 2.798
103 HB3 LEU 18 HB1 LEU 18 0.290 -1.213 1.536
104 HG LEU 18 HG LEU 18 0.869 -1.667 4.451
105 HD11 LEU 18 HD11 LEU 18 -1.295 -2.827 4.416
106 HD12 LEU 18 HD12 LEU 18 -1.501 -2.351 2.737
107 HD13 LEU 18 HD13 LEU 18 -1.439 -1.121 3.998
108 HD21 LEU 18 HD21 LEU 18 0.770 -4.062 3.896
109 HD22 LEU 18 HD22 LEU 18 2.107 -3.259 3.078
110 HD23 LEU 18 HD23 LEU 18 0.638 -3.652 2.185
111 H CYS 19 H CYS 19 2.223 -0.905 -0.323
112 HA CYS 19 HA CYS 19 2.327 1.973 -0.798
113 HB2 CYS 19 HB2 CYS 19 3.761 -0.223 -2.299
114 HB3 CYS 19 HB1 CYS 19 3.674 1.455 -2.829
115 H CYS 20 H CYS 20 1.488 2.513 -3.031
116 HA CYS 20 HA CYS 20 -0.982 1.034 -3.283
117 HB2 CYS 20 HB2 CYS 20 -1.128 3.437 -2.999
118 HB3 CYS 20 HB1 CYS 20 -0.102 3.694 -4.399
119 H VAL 21 H VAL 21 -1.108 -0.470 -4.691
120 HA VAL 21 HA VAL 21 -0.141 -0.026 -7.360
121 HB VAL 21 HB VAL 21 1.676 -1.320 -6.354
122 HG11 VAL 21 HG11 VAL 21 1.386 -3.556 -5.398
123 HG12 VAL 21 HG12 VAL 21 -0.365 -3.348 -5.500
124 HG13 VAL 21 3HG1 VAL 21 0.588 -2.290 -4.464
125 HG21 VAL 21 HG21 VAL 21 1.723 -3.325 -7.797
126 HG22 VAL 21 HG22 VAL 21 1.186 -1.886 -8.661
127 HG23 VAL 21 HG23 VAL 21 0.010 -3.092 -8.143
128 H GLY 22 H GLY 22 -2.429 0.530 -7.164
129 HA2 GLY 22 HA2 GLY 22 -4.580 0.050 -7.906
130 HA3 GLY 22 HA1 GLY 22 -4.177 -1.670 -7.922
131 H ILE 23 H ILE 23 -3.364 -2.235 -5.582
132 HA ILE 23 HA ILE 23 -5.336 -1.349 -3.625
133 HB ILE 23 HB ILE 23 -5.267 -3.633 -2.659
134 HG12 ILE 23 HG12 ILE 23 -3.749 -4.384 -5.178
135 HG13 ILE 23 HG11 ILE 23 -3.046 -4.287 -3.569
136 HG21 ILE 23 HG21 ILE 23 -6.140 -3.539 -5.540
137 HG22 ILE 23 HG22 ILE 23 -7.091 -3.050 -4.137
138 HG23 ILE 23 HG23 ILE 23 -6.647 -4.744 -4.357
139 HD11 ILE 23 HD11 ILE 23 -4.472 -6.118 -2.831
140 HD12 ILE 23 HD12 ILE 23 -3.512 -6.587 -4.235
141 HD13 ILE 23 HD13 ILE 23 -5.219 -6.186 -4.426
142 H CYS 24 H CYS 24 -4.527 -1.742 -1.417
143 HA CYS 24 HA CYS 24 -1.812 -0.885 -1.170
144 HB2 CYS 24 HB2 CYS 24 -3.869 -1.651 0.912
145 HB3 CYS 24 HB1 CYS 24 -2.298 -0.939 1.258
146 H ALA 25 H ALA 25 -0.233 -2.250 -1.349
147 HA ALA 25 HA ALA 25 -0.435 -4.858 -0.066
148 HB1 ALA 25 HB1 ALA 25 -0.978 -5.231 -2.426
149 HB2 ALA 25 HB2 ALA 25 0.591 -5.931 -2.025
150 HB3 ALA 25 HB3 ALA 25 0.506 -4.405 -2.904
151 H LYS 26 H LYS 26 1.721 -5.796 0.232
152 HA LYS 26 HA LYS 26 3.599 -3.700 0.843
153 HB2 LYS 26 HB2 LYS 26 3.130 -5.464 2.527
154 HB3 LYS 26 HB1 LYS 26 3.708 -6.678 1.398
155 HG2 LYS 26 HG2 LYS 26 5.407 -6.208 3.041
156 HG3 LYS 26 HG1 LYS 26 5.937 -5.648 1.454
157 HD2 LYS 26 HD2 LYS 26 5.228 -3.357 2.073
158 HD3 LYS 26 HD1 LYS 26 4.805 -3.951 3.677
159 HE2 LYS 26 HE2 LYS 26 7.000 -2.913 3.708
160 HE3 LYS 26 HE1 LYS 26 7.132 -4.641 4.024
161 HZ1 LYS 26 HZ1 LYS 26 8.815 -3.852 2.481
162 HZ2 LYS 26 HZ2 LYS 26 7.630 -3.368 1.376
163 HZ3 LYS 26 HZ3 LYS 26 7.826 -4.991 1.761
164 H THR 27 H THR 27 4.873 -3.091 -0.750
165 HA THR 27 HA THR 27 5.434 -4.805 -2.954
166 HB THR 27 HB THR 27 6.684 -2.753 -3.724
167 HG1 THR 27 HG1 THR 27 7.023 -1.239 -2.329
168 HG21 THR 27 HG21 THR 27 4.335 -3.143 -4.360
169 HG22 THR 27 HG22 THR 27 4.638 -1.424 -4.108
170 HG23 THR 27 HG23 THR 27 3.805 -2.365 -2.870
171 H ILE 28 H ILE 28 7.693 -5.068 -3.687
172 HA ILE 28 HA ILE 28 9.371 -6.027 -1.588
173 HB ILE 28 HB ILE 28 9.993 -5.624 -4.541
174 HG12 ILE 28 HG12 ILE 28 9.033 -8.117 -3.100
175 HG13 ILE 28 HG11 ILE 28 8.054 -7.120 -4.164
176 HG21 ILE 28 HG21 ILE 28 11.770 -7.287 -4.179
177 HG22 ILE 28 HG22 ILE 28 11.390 -7.306 -2.457
178 HG23 ILE 28 HG23 ILE 28 12.010 -5.837 -3.205
179 HD11 ILE 28 HD11 ILE 28 10.495 -8.690 -4.965
180 HD12 ILE 28 HD12 ILE 28 9.510 -7.697 -6.039
181 HD13 ILE 28 HD13 ILE 28 8.820 -9.134 -5.284
182 H ALA 29 H ALA 29 9.457 -3.394 -3.917
183 HA ALA 29 HA ALA 29 11.667 -2.148 -2.507
184 HB1 ALA 29 HB1 ALA 29 11.630 -0.515 -4.358
185 HB2 ALA 29 HB2 ALA 29 10.208 -1.321 -5.022
186 HB3 ALA 29 HB3 ALA 29 11.749 -2.172 -4.946
187 HA PRO 30 HA PRO 30 8.633 0.191 -0.101
188 HB2 PRO 30 HB2 PRO 30 11.001 1.770 0.680
189 HB3 PRO 30 HB1 PRO 30 9.875 0.877 1.705
190 HG2 PRO 30 HG2 PRO 30 12.366 -0.001 1.297
191 HG3 PRO 30 HG1 PRO 30 11.001 -1.126 1.419
192 HD2 PRO 30 HD2 PRO 30 12.443 -0.155 -1.014
193 HD3 PRO 30 HD1 PRO 30 11.853 -1.784 -0.603
194 H CYS 31 H CYS 31 7.558 2.073 -0.465
195 HA CYS 31 HA CYS 31 8.591 3.798 -2.599
196 HB2 CYS 31 HB2 CYS 31 6.221 4.458 -2.859
197 HB3 CYS 31 HB1 CYS 31 6.465 2.723 -3.060
198 H LYS 32 H LYS 32 8.140 3.701 0.732
199 HA LYS 32 HA LYS 32 7.775 6.596 0.912
200 HB2 LYS 32 HB2 LYS 32 7.381 4.466 3.026
201 HB3 LYS 32 HB1 LYS 32 7.042 6.181 3.215
202 HG2 LYS 32 HG2 LYS 32 5.287 6.050 1.551
203 HG3 LYS 32 HG1 LYS 32 5.662 4.354 1.258
204 HD2 LYS 32 HD2 LYS 32 5.062 3.862 3.614
205 HD3 LYS 32 HD1 LYS 32 4.600 5.556 3.814
206 HE2 LYS 32 HE2 LYS 32 2.936 5.318 2.045
207 HE3 LYS 32 HE1 LYS 32 3.408 3.638 1.818
208 HZ1 LYS 32 HZ1 LYS 32 1.436 3.738 3.146
209 HZ2 LYS 32 HZ2 LYS 32 2.136 4.804 4.235
210 HZ3 LYS 32 HZ3 LYS 32 2.697 3.232 4.145
Start of MODEL 15
1 H1 CYS 1 HT1 CYS 1 -6.304 4.318 7.928
2 H2 CYS 1 HT2 CYS 1 -7.331 5.053 6.824
3 H3 CYS 1 HT3 CYS 1 -5.989 5.913 7.446
4 HA CYS 1 HA CYS 1 -5.589 5.138 5.215
5 HB2 CYS 1 HB2 CYS 1 -3.521 3.814 5.680
6 HB3 CYS 1 HB1 CYS 1 -3.650 5.251 6.682
7 H ALA 2 H ALA 2 -5.368 3.374 3.763
8 HA ALA 2 HA ALA 2 -7.332 1.324 4.263
9 HB1 ALA 2 HB1 ALA 2 -7.254 2.467 2.092
10 HB2 ALA 2 HB2 ALA 2 -6.970 0.737 1.914
11 HB3 ALA 2 HB3 ALA 2 -5.617 1.866 1.837
12 H VAL 3 H VAL 3 -6.919 -0.791 4.549
13 HA VAL 3 HA VAL 3 -4.192 -1.435 5.345
14 HB VAL 3 HB VAL 3 -5.121 -3.453 6.368
15 HG11 VAL 3 HG11 VAL 3 -6.701 -0.990 7.061
16 HG12 VAL 3 HG12 VAL 3 -5.121 -1.443 7.701
17 HG13 VAL 3 3HG1 VAL 3 -6.540 -2.422 8.079
18 HG21 VAL 3 HG21 VAL 3 -6.872 -3.985 4.778
19 HG22 VAL 3 HG22 VAL 3 -7.751 -2.535 5.216
20 HG23 VAL 3 HG23 VAL 3 -7.580 -3.849 6.394
21 H THR 4 H THR 4 -3.832 -4.006 4.943
22 HA THR 4 HA THR 4 -3.096 -4.225 2.293
23 HB THR 4 HB THR 4 -3.587 -6.534 4.192
24 HG1 THR 4 HG1 THR 4 -1.067 -5.775 4.332
25 HG21 THR 4 HG21 THR 4 -1.560 -6.069 1.992
26 HG22 THR 4 HG22 THR 4 -2.972 -7.117 1.874
27 HG23 THR 4 HG23 THR 4 -1.666 -7.519 2.994
28 H HIS 5 H HIS 5 -4.105 -4.863 0.554
29 HA HIS 5 HA HIS 5 -5.484 -5.808 -0.889
30 HB2 HIS 5 HB2 HIS 5 -6.770 -7.156 1.475
31 HB3 HIS 5 HB1 HIS 5 -7.397 -7.330 -0.159
32 HD1 HIS 5 HD1 HIS 5 -5.221 -9.026 2.124
33 HD2 HIS 5 HD2 HIS 5 -5.189 -8.280 -1.963
34 HE1 HIS 5 HE1 HIS 5 -3.706 -10.749 1.109
35 H GLU 6 H GLU 6 -6.432 -3.496 1.296
36 HA GLU 6 HA GLU 6 -8.974 -3.005 0.018
37 HB2 GLU 6 HB2 GLU 6 -7.280 -1.394 1.923
38 HB3 GLU 6 HB1 GLU 6 -8.724 -0.709 1.176
39 HG2 GLU 6 HG2 GLU 6 -9.946 -2.643 2.234
40 HG3 GLU 6 HG1 GLU 6 -8.456 -2.962 3.124
41 H LYS 7 H LYS 7 -9.309 -0.935 -1.282
42 HA LYS 7 HA LYS 7 -7.292 -0.835 -3.261
43 HB2 LYS 7 HB2 LYS 7 -9.717 -0.679 -3.778
44 HB3 LYS 7 HB1 LYS 7 -9.785 0.848 -2.912
45 HG2 LYS 7 HG2 LYS 7 -8.321 1.868 -4.458
46 HG3 LYS 7 HG1 LYS 7 -8.037 0.327 -5.270
47 HD2 LYS 7 HD2 LYS 7 -10.412 0.261 -5.930
48 HD3 LYS 7 HD1 LYS 7 -10.653 1.814 -5.126
49 HE2 LYS 7 HE2 LYS 7 -10.378 2.038 -7.576
50 HE3 LYS 7 HE1 LYS 7 -9.149 2.907 -6.668
51 HZ1 LYS 7 HZ1 LYS 7 -8.774 0.238 -7.929
52 HZ2 LYS 7 HZ2 LYS 7 -7.594 1.120 -7.113
53 HZ3 LYS 7 HZ3 LYS 7 -8.217 1.703 -8.549
54 H CYS 8 H CYS 8 -6.169 1.131 -3.882
55 HA CYS 8 HA CYS 8 -5.563 2.782 -1.516
56 HB2 CYS 8 HB2 CYS 8 -3.305 2.975 -2.539
57 HB3 CYS 8 HB1 CYS 8 -3.738 1.343 -2.038
58 H SER 9 H SER 9 -5.607 4.967 -1.744
59 HA SER 9 HA SER 9 -6.367 6.114 -4.276
60 HB2 SER 9 HB2 SER 9 -5.513 7.523 -1.734
61 HB3 SER 9 HB1 SER 9 -6.505 8.183 -3.033
62 HG SER 9 HG SER 9 -7.132 6.292 -1.063
63 H ASP 10 H ASP 10 -3.560 6.222 -2.080
64 HA ASP 10 HA ASP 10 -1.775 6.369 -4.311
65 HB2 ASP 10 HB2 ASP 10 -0.643 8.351 -3.679
66 HB3 ASP 10 HB1 ASP 10 -2.329 8.795 -3.484
67 H ASP 11 H ASP 11 0.564 6.441 -3.028
68 HA ASP 11 HA ASP 11 0.620 3.924 -1.724
69 HB2 ASP 11 HB2 ASP 11 2.792 6.037 -1.819
70 HB3 ASP 11 HB1 ASP 11 3.021 4.375 -1.301
71 H TYR 12 H TYR 12 0.640 7.227 -0.496
72 HA TYR 12 HA TYR 12 1.169 6.356 2.204
73 HB2 TYR 12 HB2 TYR 12 0.784 9.051 0.941
74 HB3 TYR 12 HB1 TYR 12 0.857 8.846 2.685
75 HD1 TYR 12 HD1 TYR 12 2.773 8.668 -0.445
76 HD2 TYR 12 HD2 TYR 12 2.916 8.305 3.781
77 HE1 TYR 12 HE1 TYR 12 5.233 8.747 -0.527
78 HE2 TYR 12 HE2 TYR 12 5.359 8.384 3.719
79 HH TYR 12 HH TYR 12 7.083 9.310 0.957
80 H ASP 13 H ASP 13 -1.453 6.188 0.407
81 HA ASP 13 HA ASP 13 -3.369 7.027 2.434
82 HB2 ASP 13 HB2 ASP 13 -3.877 7.320 0.016
83 HB3 ASP 13 HB1 ASP 13 -3.778 5.583 -0.205
84 H CYS 14 H CYS 14 -1.470 4.398 1.657
85 HA CYS 14 HA CYS 14 -3.197 2.405 2.885
86 HB2 CYS 14 HB2 CYS 14 -0.484 2.134 1.598
87 HB3 CYS 14 HB1 CYS 14 -1.560 0.825 2.091
88 H CYS 15 H CYS 15 -2.595 1.287 4.732
89 HA CYS 15 HA CYS 15 -1.167 2.736 6.710
90 HB2 CYS 15 HB2 CYS 15 -2.065 -0.147 6.749
91 HB3 CYS 15 HB1 CYS 15 -1.664 0.837 8.151
92 H GLY 16 H GLY 16 0.749 2.110 7.823
93 HA2 GLY 16 HA2 GLY 16 2.868 1.309 8.113
94 HA3 GLY 16 HA1 GLY 16 2.248 -0.197 7.472
95 H SER 17 H SER 17 3.705 -0.923 6.061
96 HA SER 17 HA SER 17 5.220 0.911 4.419
97 HB2 SER 17 HB2 SER 17 6.425 -1.256 3.878
98 HB3 SER 17 HB1 SER 17 6.509 -0.710 5.553
99 HG SER 17 HG SER 17 6.025 -2.838 5.538
100 H LEU 18 H LEU 18 2.277 -0.243 4.074
101 HA LEU 18 HA LEU 18 2.384 -1.673 1.623
102 HB2 LEU 18 HB2 LEU 18 0.101 -0.103 2.768
103 HB3 LEU 18 HB1 LEU 18 -0.006 -1.359 1.551
104 HG LEU 18 HG LEU 18 0.705 -1.722 4.460
105 HD11 LEU 18 HD11 LEU 18 -1.724 -2.437 2.870
106 HD12 LEU 18 HD12 LEU 18 -1.606 -1.189 4.114
107 HD13 LEU 18 HD13 LEU 18 -1.438 -2.894 4.547
108 HD21 LEU 18 HD21 LEU 18 0.581 -4.124 4.004
109 HD22 LEU 18 HD22 LEU 18 1.871 -3.363 3.075
110 HD23 LEU 18 HD23 LEU 18 0.351 -3.789 2.289
111 H CYS 19 H CYS 19 2.080 -0.931 -0.413
112 HA CYS 19 HA CYS 19 2.058 1.958 -0.783
113 HB2 CYS 19 HB2 CYS 19 3.565 -0.134 -2.380
114 HB3 CYS 19 HB1 CYS 19 3.510 1.587 -2.747
115 H CYS 20 H CYS 20 1.452 2.283 -3.277
116 HA CYS 20 HA CYS 20 -1.127 0.941 -3.428
117 HB2 CYS 20 HB2 CYS 20 -1.124 3.375 -3.281
118 HB3 CYS 20 HB1 CYS 20 -0.136 3.472 -4.728
119 H VAL 21 H VAL 21 -1.304 -0.655 -4.753
120 HA VAL 21 HA VAL 21 -0.175 -0.497 -7.444
121 HB VAL 21 HB VAL 21 0.247 -2.996 -7.349
122 HG11 VAL 21 HG11 VAL 21 2.114 -1.460 -7.161
123 HG12 VAL 21 HG12 VAL 21 2.380 -2.862 -6.125
124 HG13 VAL 21 3HG1 VAL 21 1.860 -1.332 -5.422
125 HG21 VAL 21 HG21 VAL 21 -0.088 -2.619 -4.365
126 HG22 VAL 21 HG22 VAL 21 0.520 -4.078 -5.148
127 HG23 VAL 21 HG23 VAL 21 -1.145 -3.561 -5.417
128 H GLY 22 H GLY 22 -2.646 0.282 -6.661
129 HA2 GLY 22 HA2 GLY 22 -4.781 -0.033 -7.647
130 HA3 GLY 22 HA1 GLY 22 -4.423 -1.760 -7.801
131 H ILE 23 H ILE 23 -3.548 -2.491 -5.551
132 HA ILE 23 HA ILE 23 -5.514 -1.760 -3.498
133 HB ILE 23 HB ILE 23 -5.150 -4.003 -2.522
134 HG12 ILE 23 HG12 ILE 23 -3.569 -4.614 -5.037
135 HG13 ILE 23 HG11 ILE 23 -2.855 -4.334 -3.456
136 HG21 ILE 23 HG21 ILE 23 -6.386 -5.317 -4.192
137 HG22 ILE 23 HG22 ILE 23 -6.046 -4.079 -5.401
138 HG23 ILE 23 HG23 ILE 23 -7.045 -3.693 -4.001
139 HD11 ILE 23 HD11 ILE 23 -4.009 -6.307 -2.599
140 HD12 ILE 23 HD12 ILE 23 -2.976 -6.696 -3.974
141 HD13 ILE 23 HD13 ILE 23 -4.723 -6.569 -4.189
142 H CYS 24 H CYS 24 -4.634 -1.908 -1.321
143 HA CYS 24 HA CYS 24 -1.952 -0.913 -1.148
144 HB2 CYS 24 HB2 CYS 24 -3.966 -1.625 0.981
145 HB3 CYS 24 HB1 CYS 24 -2.407 -0.880 1.293
146 H ALA 25 H ALA 25 -0.301 -2.179 -1.206
147 HA ALA 25 HA ALA 25 -0.217 -4.594 0.373
148 HB1 ALA 25 HB1 ALA 25 0.277 -4.617 -2.611
149 HB2 ALA 25 HB2 ALA 25 -1.064 -5.408 -1.781
150 HB3 ALA 25 HB3 ALA 25 0.590 -5.958 -1.511
151 H LYS 26 H LYS 26 1.916 -5.167 0.834
152 HA LYS 26 HA LYS 26 3.795 -3.019 0.706
153 HB2 LYS 26 HB2 LYS 26 3.701 -4.544 2.647
154 HB3 LYS 26 HB1 LYS 26 4.191 -5.876 1.602
155 HG2 LYS 26 HG2 LYS 26 6.254 -4.644 1.067
156 HG3 LYS 26 HG1 LYS 26 5.781 -3.412 2.230
157 HD2 LYS 26 HD2 LYS 26 5.858 -5.039 4.015
158 HD3 LYS 26 HD1 LYS 26 6.239 -6.316 2.852
159 HE2 LYS 26 HE2 LYS 26 7.886 -3.866 3.357
160 HE3 LYS 26 HE1 LYS 26 8.252 -5.480 3.990
161 HZ1 LYS 26 HZ1 LYS 26 8.172 -4.693 1.101
162 HZ2 LYS 26 HZ2 LYS 26 8.459 -6.247 1.668
163 HZ3 LYS 26 HZ3 LYS 26 9.549 -5.025 2.006
164 H THR 27 H THR 27 5.321 -2.696 -0.726
165 HA THR 27 HA THR 27 5.583 -4.578 -2.880
166 HB THR 27 HB THR 27 6.774 -2.564 -3.875
167 HG1 THR 27 HG1 THR 27 7.145 -1.005 -2.477
168 HG21 THR 27 HG21 THR 27 4.439 -3.095 -4.404
169 HG22 THR 27 HG22 THR 27 4.644 -1.344 -4.241
170 HG23 THR 27 HG23 THR 27 3.918 -2.275 -2.937
171 H ILE 28 H ILE 28 7.826 -4.835 -3.705
172 HA ILE 28 HA ILE 28 9.615 -5.629 -1.636
173 HB ILE 28 HB ILE 28 10.135 -5.343 -4.621
174 HG12 ILE 28 HG12 ILE 28 9.320 -7.782 -3.017
175 HG13 ILE 28 HG11 ILE 28 8.258 -6.871 -4.078
176 HG21 ILE 28 HG21 ILE 28 11.645 -6.899 -2.509
177 HG22 ILE 28 HG22 ILE 28 12.207 -5.436 -3.316
178 HG23 ILE 28 HG23 ILE 28 11.985 -6.922 -4.241
179 HD11 ILE 28 HD11 ILE 28 10.709 -8.404 -4.910
180 HD12 ILE 28 HD12 ILE 28 9.651 -7.488 -5.983
181 HD13 ILE 28 HD13 ILE 28 9.032 -8.906 -5.136
182 H ALA 29 H ALA 29 9.518 -2.999 -3.984
183 HA ALA 29 HA ALA 29 11.755 -1.699 -2.681
184 HB1 ALA 29 HB1 ALA 29 11.691 -1.722 -5.124
185 HB2 ALA 29 HB2 ALA 29 11.591 -0.083 -4.487
186 HB3 ALA 29 HB3 ALA 29 10.138 -0.881 -5.098
187 HA PRO 30 HA PRO 30 8.813 0.377 -0.152
188 HB2 PRO 30 HB2 PRO 30 10.491 2.133 1.053
189 HB3 PRO 30 HB1 PRO 30 10.445 0.417 1.472
190 HG2 PRO 30 HG2 PRO 30 12.360 1.882 -0.290
191 HG3 PRO 30 HG1 PRO 30 12.686 0.612 0.901
192 HD2 PRO 30 HD2 PRO 30 12.543 0.146 -1.777
193 HD3 PRO 30 HD1 PRO 30 12.114 -1.074 -0.568
194 H CYS 31 H CYS 31 7.460 1.987 -0.552
195 HA CYS 31 HA CYS 31 8.235 4.091 -2.406
196 HB2 CYS 31 HB2 CYS 31 5.810 4.632 -2.376
197 HB3 CYS 31 HB1 CYS 31 6.111 2.951 -2.807
198 H LYS 32 H LYS 32 7.904 3.474 0.899
199 HA LYS 32 HA LYS 32 7.898 6.346 1.530
200 HB2 LYS 32 HB2 LYS 32 7.112 4.090 3.384
201 HB3 LYS 32 HB1 LYS 32 6.896 5.810 3.632
202 HG2 LYS 32 HG2 LYS 32 5.210 5.878 1.905
203 HG3 LYS 32 HG1 LYS 32 5.465 4.162 1.565
204 HD2 LYS 32 HD2 LYS 32 4.854 3.662 3.911
205 HD3 LYS 32 HD1 LYS 32 4.490 5.372 4.138
206 HE2 LYS 32 HE2 LYS 32 2.798 5.226 2.380
207 HE3 LYS 32 HE1 LYS 32 3.151 3.511 2.188
208 HZ1 LYS 32 HZ1 LYS 32 2.546 3.183 4.505
209 HZ2 LYS 32 HZ2 LYS 32 1.233 3.785 3.637
210 HZ3 LYS 32 HZ3 LYS 32 2.114 4.794 4.658
Start of MODEL 16
1 H1 CYS 1 HT1 CYS 1 -8.396 4.810 6.461
2 H2 CYS 1 HT2 CYS 1 -7.176 5.688 7.268
3 H3 CYS 1 HT3 CYS 1 -7.306 4.016 7.469
4 HA CYS 1 HA CYS 1 -6.718 5.336 4.916
5 HB2 CYS 1 HB2 CYS 1 -4.440 4.470 5.243
6 HB3 CYS 1 HB1 CYS 1 -4.872 5.583 6.535
7 H ALA 2 H ALA 2 -5.393 3.354 3.722
8 HA ALA 2 HA ALA 2 -7.317 1.180 3.819
9 HB1 ALA 2 HB1 ALA 2 -6.570 0.676 1.548
10 HB2 ALA 2 HB2 ALA 2 -5.392 1.984 1.644
11 HB3 ALA 2 HB3 ALA 2 -7.118 2.346 1.683
12 H VAL 3 H VAL 3 -6.731 -0.773 4.284
13 HA VAL 3 HA VAL 3 -3.989 -1.261 5.170
14 HB VAL 3 HB VAL 3 -4.865 -3.228 6.307
15 HG11 VAL 3 HG11 VAL 3 -6.528 -0.789 6.824
16 HG12 VAL 3 HG12 VAL 3 -4.954 -1.168 7.523
17 HG13 VAL 3 3HG1 VAL 3 -6.361 -2.154 7.925
18 HG21 VAL 3 HG21 VAL 3 -7.532 -2.490 5.107
19 HG22 VAL 3 HG22 VAL 3 -7.288 -3.746 6.325
20 HG23 VAL 3 HG23 VAL 3 -6.574 -3.914 4.718
21 H THR 4 H THR 4 -3.666 -3.913 4.889
22 HA THR 4 HA THR 4 -2.955 -4.160 2.201
23 HB THR 4 HB THR 4 -3.292 -6.449 4.169
24 HG1 THR 4 HG1 THR 4 -1.983 -5.041 5.203
25 HG21 THR 4 HG21 THR 4 -1.437 -7.430 2.875
26 HG22 THR 4 HG22 THR 4 -1.446 -6.029 1.805
27 HG23 THR 4 HG23 THR 4 -2.837 -7.113 1.849
28 H HIS 5 H HIS 5 -4.006 -4.844 0.507
29 HA HIS 5 HA HIS 5 -5.411 -5.844 -0.893
30 HB2 HIS 5 HB2 HIS 5 -6.658 -7.171 1.518
31 HB3 HIS 5 HB1 HIS 5 -7.248 -7.420 -0.121
32 HD1 HIS 5 HD1 HIS 5 -4.913 -8.807 2.274
33 HD2 HIS 5 HD2 HIS 5 -5.118 -8.486 -1.862
34 HE1 HIS 5 HE1 HIS 5 -3.313 -10.519 1.357
35 H GLU 6 H GLU 6 -6.212 -3.456 1.139
36 HA GLU 6 HA GLU 6 -8.828 -3.053 -0.057
37 HB2 GLU 6 HB2 GLU 6 -7.190 -1.361 1.833
38 HB3 GLU 6 HB1 GLU 6 -8.716 -0.814 1.138
39 HG2 GLU 6 HG2 GLU 6 -9.730 -2.844 2.226
40 HG3 GLU 6 HG1 GLU 6 -8.193 -3.036 3.073
41 H LYS 7 H LYS 7 -9.246 -1.140 -1.341
42 HA LYS 7 HA LYS 7 -7.217 -0.812 -3.317
43 HB2 LYS 7 HB2 LYS 7 -9.897 0.554 -2.988
44 HB3 LYS 7 HB1 LYS 7 -8.861 0.698 -4.403
45 HG2 LYS 7 HG2 LYS 7 -9.066 -1.704 -4.809
46 HG3 LYS 7 HG1 LYS 7 -10.079 -1.850 -3.375
47 HD2 LYS 7 HD2 LYS 7 -11.761 -0.417 -4.392
48 HD3 LYS 7 HD1 LYS 7 -10.738 -0.201 -5.812
49 HE2 LYS 7 HE2 LYS 7 -12.484 -1.875 -6.221
50 HE3 LYS 7 HE1 LYS 7 -10.877 -2.587 -6.301
51 HZ1 LYS 7 HZ1 LYS 7 -12.718 -2.771 -3.963
52 HZ2 LYS 7 HZ2 LYS 7 -11.204 -3.512 -4.087
53 HZ3 LYS 7 HZ3 LYS 7 -12.455 -3.974 -5.098
54 H CYS 8 H CYS 8 -6.136 1.106 -3.846
55 HA CYS 8 HA CYS 8 -5.862 2.885 -1.523
56 HB2 CYS 8 HB2 CYS 8 -3.499 3.159 -2.359
57 HB3 CYS 8 HB1 CYS 8 -3.904 1.573 -1.710
58 H SER 9 H SER 9 -5.983 5.016 -1.840
59 HA SER 9 HA SER 9 -6.698 5.999 -4.453
60 HB2 SER 9 HB2 SER 9 -6.148 7.585 -1.946
61 HB3 SER 9 HB1 SER 9 -7.210 8.014 -3.292
62 HG SER 9 HG SER 9 -7.558 6.148 -1.233
63 H ASP 10 H ASP 10 -3.941 5.749 -2.404
64 HA ASP 10 HA ASP 10 -2.061 6.580 -4.316
65 HB2 ASP 10 HB2 ASP 10 -2.829 8.846 -3.691
66 HB3 ASP 10 HB1 ASP 10 -2.621 8.453 -1.987
67 H ASP 11 H ASP 11 0.137 6.614 -3.113
68 HA ASP 11 HA ASP 11 0.358 4.250 -1.565
69 HB2 ASP 11 HB2 ASP 11 2.381 6.444 -2.028
70 HB3 ASP 11 HB1 ASP 11 2.732 4.903 -1.260
71 H TYR 12 H TYR 12 0.207 7.668 -0.740
72 HA TYR 12 HA TYR 12 0.871 7.176 2.006
73 HB2 TYR 12 HB2 TYR 12 -0.152 9.632 0.594
74 HB3 TYR 12 HB1 TYR 12 0.193 9.584 2.319
75 HD1 TYR 12 HD1 TYR 12 1.585 9.968 -0.977
76 HD2 TYR 12 HD2 TYR 12 2.517 9.040 3.059
77 HE1 TYR 12 HE1 TYR 12 3.958 10.456 -1.418
78 HE2 TYR 12 HE2 TYR 12 4.878 9.531 2.636
79 HH TYR 12 HH TYR 12 6.365 9.534 0.756
80 H ASP 13 H ASP 13 -1.804 6.566 0.262
81 HA ASP 13 HA ASP 13 -3.752 7.151 2.332
82 HB2 ASP 13 HB2 ASP 13 -4.402 7.414 -0.024
83 HB3 ASP 13 HB1 ASP 13 -3.992 5.742 -0.340
84 H CYS 14 H CYS 14 -1.515 4.802 1.633
85 HA CYS 14 HA CYS 14 -2.973 2.681 3.031
86 HB2 CYS 14 HB2 CYS 14 -0.254 2.504 1.739
87 HB3 CYS 14 HB1 CYS 14 -1.307 1.209 2.316
88 H CYS 15 H CYS 15 -2.283 1.995 4.967
89 HA CYS 15 HA CYS 15 -0.347 3.630 6.374
90 HB2 CYS 15 HB2 CYS 15 -2.389 1.638 7.091
91 HB3 CYS 15 HB1 CYS 15 -1.185 2.086 8.313
92 H GLY 16 H GLY 16 0.973 2.291 8.104
93 HA2 GLY 16 HA2 GLY 16 2.603 0.808 8.597
94 HA3 GLY 16 HA1 GLY 16 1.823 -0.315 7.494
95 H SER 17 H SER 17 3.289 -1.040 6.177
96 HA SER 17 HA SER 17 5.166 0.834 4.930
97 HB2 SER 17 HB2 SER 17 6.548 -1.312 4.612
98 HB3 SER 17 HB1 SER 17 6.438 -0.666 6.249
99 HG SER 17 HG SER 17 4.894 -2.818 5.175
100 H LEU 18 H LEU 18 2.424 0.106 4.217
101 HA LEU 18 HA LEU 18 2.578 -1.621 1.907
102 HB2 LEU 18 HB2 LEU 18 0.345 0.117 2.898
103 HB3 LEU 18 HB1 LEU 18 0.217 -1.147 1.690
104 HG LEU 18 HG LEU 18 0.885 -1.566 4.596
105 HD11 LEU 18 HD11 LEU 18 -1.348 -2.529 4.740
106 HD12 LEU 18 HD12 LEU 18 -1.643 -2.077 3.061
107 HD13 LEU 18 HD13 LEU 18 -1.399 -0.827 4.282
108 HD21 LEU 18 HD21 LEU 18 0.517 -3.923 4.084
109 HD22 LEU 18 HD22 LEU 18 1.883 -3.263 3.185
110 HD23 LEU 18 HD23 LEU 18 0.334 -3.525 2.377
111 H CYS 19 H CYS 19 2.277 -0.976 -0.185
112 HA CYS 19 HA CYS 19 2.412 1.892 -0.734
113 HB2 CYS 19 HB2 CYS 19 3.765 -0.368 -2.241
114 HB3 CYS 19 HB1 CYS 19 3.804 1.336 -2.692
115 H CYS 20 H CYS 20 1.602 2.289 -3.059
116 HA CYS 20 HA CYS 20 -0.933 0.866 -3.193
117 HB2 CYS 20 HB2 CYS 20 -0.981 3.313 -3.031
118 HB3 CYS 20 HB1 CYS 20 -0.040 3.435 -4.509
119 H VAL 21 H VAL 21 -1.111 -0.716 -4.535
120 HA VAL 21 HA VAL 21 -0.027 -0.482 -7.238
121 HB VAL 21 HB VAL 21 0.376 -3.017 -7.207
122 HG11 VAL 21 HG11 VAL 21 2.574 -2.868 -6.135
123 HG12 VAL 21 HG12 VAL 21 2.095 -1.350 -5.380
124 HG13 VAL 21 3HG1 VAL 21 2.240 -1.452 -7.132
125 HG21 VAL 21 HG21 VAL 21 -0.897 -3.565 -5.186
126 HG22 VAL 21 HG22 VAL 21 0.226 -2.620 -4.210
127 HG23 VAL 21 HG23 VAL 21 0.781 -4.084 -5.023
128 H GLY 22 H GLY 22 -2.483 0.282 -6.537
129 HA2 GLY 22 HA2 GLY 22 -4.616 -0.081 -7.534
130 HA3 GLY 22 HA1 GLY 22 -4.233 -1.806 -7.628
131 H ILE 23 H ILE 23 -3.371 -2.432 -5.336
132 HA ILE 23 HA ILE 23 -5.313 -1.618 -3.302
133 HB ILE 23 HB ILE 23 -5.071 -3.886 -2.310
134 HG12 ILE 23 HG12 ILE 23 -3.610 -4.577 -4.875
135 HG13 ILE 23 HG11 ILE 23 -2.857 -4.430 -3.294
136 HG21 ILE 23 HG21 ILE 23 -6.993 -3.438 -3.705
137 HG22 ILE 23 HG22 ILE 23 -6.465 -5.107 -3.927
138 HG23 ILE 23 HG23 ILE 23 -6.083 -3.892 -5.146
139 HD11 ILE 23 HD11 ILE 23 -3.206 -6.756 -3.925
140 HD12 ILE 23 HD12 ILE 23 -4.941 -6.467 -4.068
141 HD13 ILE 23 HD13 ILE 23 -4.147 -6.337 -2.497
142 H CYS 24 H CYS 24 -4.391 -1.817 -1.123
143 HA CYS 24 HA CYS 24 -1.642 -0.965 -1.100
144 HB2 CYS 24 HB2 CYS 24 -3.547 -1.472 1.197
145 HB3 CYS 24 HB1 CYS 24 -1.960 -0.722 1.333
146 H ALA 25 H ALA 25 0.017 -2.247 -0.917
147 HA ALA 25 HA ALA 25 -0.077 -4.692 0.616
148 HB1 ALA 25 HB1 ALA 25 -0.894 -5.453 -1.568
149 HB2 ALA 25 HB2 ALA 25 0.734 -6.066 -1.273
150 HB3 ALA 25 HB3 ALA 25 0.490 -4.699 -2.359
151 H LYS 26 H LYS 26 2.216 -5.621 0.659
152 HA LYS 26 HA LYS 26 4.039 -3.366 0.699
153 HB2 LYS 26 HB2 LYS 26 3.980 -4.922 2.655
154 HB3 LYS 26 HB1 LYS 26 4.518 -6.225 1.601
155 HG2 LYS 26 HG2 LYS 26 6.585 -4.970 1.134
156 HG3 LYS 26 HG1 LYS 26 6.044 -3.711 2.234
157 HD2 LYS 26 HD2 LYS 26 6.090 -5.272 4.090
158 HD3 LYS 26 HD1 LYS 26 6.556 -6.580 2.998
159 HE2 LYS 26 HE2 LYS 26 8.610 -5.357 2.428
160 HE3 LYS 26 HE1 LYS 26 8.145 -4.075 3.540
161 HZ1 LYS 26 HZ1 LYS 26 9.754 -5.626 4.483
162 HZ2 LYS 26 HZ2 LYS 26 8.648 -6.889 4.313
163 HZ3 LYS 26 HZ3 LYS 26 8.312 -5.617 5.362
164 H THR 27 H THR 27 5.583 -3.076 -0.784
165 HA THR 27 HA THR 27 5.550 -4.924 -3.010
166 HB THR 27 HB THR 27 6.606 -2.840 -4.111
167 HG1 THR 27 HG1 THR 27 6.896 -1.240 -2.739
168 HG21 THR 27 HG21 THR 27 4.304 -3.615 -4.522
169 HG22 THR 27 HG22 THR 27 4.373 -1.854 -4.437
170 HG23 THR 27 HG23 THR 27 3.767 -2.781 -3.064
171 H ILE 28 H ILE 28 7.699 -4.885 -4.281
172 HA ILE 28 HA ILE 28 9.890 -5.634 -2.620
173 HB ILE 28 HB ILE 28 9.744 -5.071 -5.607
174 HG12 ILE 28 HG12 ILE 28 9.765 -7.700 -4.100
175 HG13 ILE 28 HG11 ILE 28 8.361 -6.957 -4.856
176 HG21 ILE 28 HG21 ILE 28 11.973 -6.346 -4.031
177 HG22 ILE 28 HG22 ILE 28 12.028 -4.790 -4.860
178 HG23 ILE 28 HG23 ILE 28 11.882 -6.281 -5.792
179 HD11 ILE 28 HD11 ILE 28 9.258 -8.763 -6.215
180 HD12 ILE 28 HD12 ILE 28 10.819 -7.944 -6.288
181 HD13 ILE 28 HD13 ILE 28 9.403 -7.215 -7.047
182 H ALA 29 H ALA 29 9.128 -2.919 -4.712
183 HA ALA 29 HA ALA 29 11.406 -1.397 -3.825
184 HB1 ALA 29 HB1 ALA 29 9.070 -0.625 -5.572
185 HB2 ALA 29 HB2 ALA 29 10.633 -1.218 -6.139
186 HB3 ALA 29 HB3 ALA 29 10.525 0.337 -5.310
187 HA PRO 30 HA PRO 30 8.880 -0.014 -0.440
188 HB2 PRO 30 HB2 PRO 30 10.798 1.306 0.906
189 HB3 PRO 30 HB1 PRO 30 10.719 -0.457 0.864
190 HG2 PRO 30 HG2 PRO 30 12.521 1.390 -0.612
191 HG3 PRO 30 HG1 PRO 30 12.850 -0.223 0.036
192 HD2 PRO 30 HD2 PRO 30 12.278 0.371 -2.620
193 HD3 PRO 30 HD1 PRO 30 12.163 -1.232 -1.869
194 H CYS 31 H CYS 31 7.487 1.620 -0.613
195 HA CYS 31 HA CYS 31 8.298 4.108 -1.849
196 HB2 CYS 31 HB2 CYS 31 5.895 4.696 -1.585
197 HB3 CYS 31 HB1 CYS 31 6.120 3.173 -2.440
198 H LYS 32 H LYS 32 7.859 2.705 1.242
199 HA LYS 32 HA LYS 32 8.238 5.298 2.541
200 HB2 LYS 32 HB2 LYS 32 6.791 2.833 3.602
201 HB3 LYS 32 HB1 LYS 32 7.128 4.295 4.520
202 HG2 LYS 32 HG2 LYS 32 5.672 5.550 3.093
203 HG3 LYS 32 HG1 LYS 32 5.445 4.145 2.046
204 HD2 LYS 32 HD2 LYS 32 4.427 2.927 3.908
205 HD3 LYS 32 HD1 LYS 32 4.660 4.335 4.948
206 HE2 LYS 32 HE2 LYS 32 2.385 4.189 4.113
207 HE3 LYS 32 HE1 LYS 32 3.217 5.643 3.545
208 HZ1 LYS 32 HZ1 LYS 32 2.829 3.159 1.956
209 HZ2 LYS 32 HZ2 LYS 32 3.579 4.582 1.430
210 HZ3 LYS 32 HZ3 LYS 32 1.939 4.581 1.788
Start of MODEL 17
1 H1 CYS 1 HT1 CYS 1 -6.034 5.548 7.732
2 H2 CYS 1 HT2 CYS 1 -6.401 3.918 7.979
3 H3 CYS 1 HT3 CYS 1 -7.384 4.861 6.992
4 HA CYS 1 HA CYS 1 -5.668 5.103 5.396
5 HB2 CYS 1 HB2 CYS 1 -3.613 3.681 5.719
6 HB3 CYS 1 HB1 CYS 1 -3.728 5.045 6.823
7 H ALA 2 H ALA 2 -5.257 3.327 3.803
8 HA ALA 2 HA ALA 2 -7.293 1.284 4.092
9 HB1 ALA 2 HB1 ALA 2 -5.465 1.946 1.775
10 HB2 ALA 2 HB2 ALA 2 -7.118 2.522 1.976
11 HB3 ALA 2 HB3 ALA 2 -6.808 0.803 1.729
12 H VAL 3 H VAL 3 -6.877 -0.811 4.470
13 HA VAL 3 HA VAL 3 -4.146 -1.444 5.261
14 HB VAL 3 HB VAL 3 -5.034 -3.437 6.322
15 HG11 VAL 3 HG11 VAL 3 -6.739 -1.038 6.929
16 HG12 VAL 3 HG12 VAL 3 -5.155 -1.407 7.610
17 HG13 VAL 3 3HG1 VAL 3 -6.537 -2.441 7.979
18 HG21 VAL 3 HG21 VAL 3 -7.685 -2.672 5.105
19 HG22 VAL 3 HG22 VAL 3 -7.467 -3.950 6.308
20 HG23 VAL 3 HG23 VAL 3 -6.723 -4.091 4.711
21 H THR 4 H THR 4 -3.805 -4.039 4.898
22 HA THR 4 HA THR 4 -3.004 -4.379 2.292
23 HB THR 4 HB THR 4 -3.812 -6.634 4.120
24 HG1 THR 4 HG1 THR 4 -2.480 -5.896 5.541
25 HG21 THR 4 HG21 THR 4 -2.923 -7.215 1.912
26 HG22 THR 4 HG22 THR 4 -1.767 -7.663 3.174
27 HG23 THR 4 HG23 THR 4 -1.511 -6.206 2.210
28 H HIS 5 H HIS 5 -4.064 -4.975 0.498
29 HA HIS 5 HA HIS 5 -5.518 -5.890 -0.956
30 HB2 HIS 5 HB2 HIS 5 -6.979 -7.033 1.427
31 HB3 HIS 5 HB1 HIS 5 -7.465 -7.304 -0.238
32 HD1 HIS 5 HD1 HIS 5 -6.137 -9.255 2.168
33 HD2 HIS 5 HD2 HIS 5 -4.677 -8.149 -1.550
34 HE1 HIS 5 HE1 HIS 5 -4.470 -11.036 1.513
35 H GLU 6 H GLU 6 -6.326 -3.462 1.163
36 HA GLU 6 HA GLU 6 -8.893 -3.005 -0.084
37 HB2 GLU 6 HB2 GLU 6 -7.278 -1.392 1.889
38 HB3 GLU 6 HB1 GLU 6 -8.758 -0.766 1.154
39 HG2 GLU 6 HG2 GLU 6 -9.895 -2.778 2.135
40 HG3 GLU 6 HG1 GLU 6 -8.391 -3.094 3.006
41 H LYS 7 H LYS 7 -9.287 -0.995 -1.266
42 HA LYS 7 HA LYS 7 -7.254 -0.682 -3.263
43 HB2 LYS 7 HB2 LYS 7 -9.924 0.659 -2.908
44 HB3 LYS 7 HB1 LYS 7 -8.861 0.933 -4.281
45 HG2 LYS 7 HG2 LYS 7 -9.023 -1.401 -4.915
46 HG3 LYS 7 HG1 LYS 7 -10.029 -1.731 -3.508
47 HD2 LYS 7 HD2 LYS 7 -10.736 0.179 -5.724
48 HD3 LYS 7 HD1 LYS 7 -11.324 -1.477 -5.620
49 HE2 LYS 7 HE2 LYS 7 -11.834 0.750 -3.639
50 HE3 LYS 7 HE1 LYS 7 -12.994 0.085 -4.778
51 HZ1 LYS 7 HZ1 LYS 7 -11.772 -1.331 -2.476
52 HZ2 LYS 7 HZ2 LYS 7 -12.747 -2.075 -3.610
53 HZ3 LYS 7 HZ3 LYS 7 -13.374 -0.862 -2.631
54 H CYS 8 H CYS 8 -6.226 1.236 -3.808
55 HA CYS 8 HA CYS 8 -5.839 2.952 -1.454
56 HB2 CYS 8 HB2 CYS 8 -3.521 3.206 -2.426
57 HB3 CYS 8 HB1 CYS 8 -3.930 1.642 -1.727
58 H SER 9 H SER 9 -5.960 5.094 -1.687
59 HA SER 9 HA SER 9 -6.557 6.204 -4.288
60 HB2 SER 9 HB2 SER 9 -6.187 7.583 -1.608
61 HB3 SER 9 HB1 SER 9 -6.930 8.281 -3.048
62 HG SER 9 HG SER 9 -7.901 6.364 -1.268
63 H ASP 10 H ASP 10 -3.927 5.780 -2.108
64 HA ASP 10 HA ASP 10 -1.996 6.605 -4.000
65 HB2 ASP 10 HB2 ASP 10 -2.683 8.826 -2.943
66 HB3 ASP 10 HB1 ASP 10 -2.111 8.186 -1.405
67 H ASP 11 H ASP 11 0.214 6.343 -2.859
68 HA ASP 11 HA ASP 11 0.335 3.791 -1.605
69 HB2 ASP 11 HB2 ASP 11 2.476 5.925 -1.747
70 HB3 ASP 11 HB1 ASP 11 2.724 4.215 -1.430
71 H TYR 12 H TYR 12 0.579 7.131 -0.554
72 HA TYR 12 HA TYR 12 1.198 6.411 2.162
73 HB2 TYR 12 HB2 TYR 12 0.639 9.064 0.840
74 HB3 TYR 12 HB1 TYR 12 0.990 8.894 2.557
75 HD1 TYR 12 HD1 TYR 12 2.401 8.444 -0.838
76 HD2 TYR 12 HD2 TYR 12 3.209 8.593 3.324
77 HE1 TYR 12 HE1 TYR 12 4.812 8.531 -1.318
78 HE2 TYR 12 HE2 TYR 12 5.624 8.682 2.859
79 HH TYR 12 HH TYR 12 6.826 9.244 -0.280
80 H ASP 13 H ASP 13 -1.497 6.261 0.452
81 HA ASP 13 HA ASP 13 -3.375 7.024 2.539
82 HB2 ASP 13 HB2 ASP 13 -3.984 7.483 0.222
83 HB3 ASP 13 HB1 ASP 13 -3.690 5.811 -0.217
84 H CYS 14 H CYS 14 -1.548 4.395 1.483
85 HA CYS 14 HA CYS 14 -3.159 2.349 2.729
86 HB2 CYS 14 HB2 CYS 14 -0.388 2.244 1.531
87 HB3 CYS 14 HB1 CYS 14 -1.352 0.863 2.044
88 H CYS 15 H CYS 15 -2.581 1.262 4.577
89 HA CYS 15 HA CYS 15 -1.405 2.748 6.631
90 HB2 CYS 15 HB2 CYS 15 -1.985 -0.208 6.528
91 HB3 CYS 15 HB1 CYS 15 -1.671 0.728 7.985
92 H GLY 16 H GLY 16 0.470 2.448 7.801
93 HA2 GLY 16 HA2 GLY 16 2.654 1.983 8.248
94 HA3 GLY 16 HA1 GLY 16 2.299 0.388 7.614
95 H SER 17 H SER 17 3.700 -0.217 6.147
96 HA SER 17 HA SER 17 5.052 1.819 4.570
97 HB2 SER 17 HB2 SER 17 6.738 -0.016 4.239
98 HB3 SER 17 HB1 SER 17 6.552 0.524 5.908
99 HG SER 17 HG SER 17 5.849 -1.386 6.439
100 H LEU 18 H LEU 18 2.392 0.100 4.193
101 HA LEU 18 HA LEU 18 2.778 -1.426 1.832
102 HB2 LEU 18 HB2 LEU 18 0.288 -0.074 2.852
103 HB3 LEU 18 HB1 LEU 18 0.326 -1.273 1.577
104 HG LEU 18 HG LEU 18 1.014 -1.739 4.480
105 HD11 LEU 18 HD11 LEU 18 -1.354 -1.354 4.119
106 HD12 LEU 18 HD12 LEU 18 -1.052 -3.054 4.491
107 HD13 LEU 18 HD13 LEU 18 -1.361 -2.554 2.827
108 HD21 LEU 18 HD21 LEU 18 2.301 -3.202 3.034
109 HD22 LEU 18 HD22 LEU 18 0.841 -3.648 2.153
110 HD23 LEU 18 HD23 LEU 18 1.027 -4.118 3.842
111 H CYS 19 H CYS 19 2.188 -0.904 -0.306
112 HA CYS 19 HA CYS 19 2.171 1.953 -0.885
113 HB2 CYS 19 HB2 CYS 19 3.653 -0.245 -2.353
114 HB3 CYS 19 HB1 CYS 19 3.519 1.423 -2.906
115 H CYS 20 H CYS 20 1.450 2.215 -3.309
116 HA CYS 20 HA CYS 20 -1.109 0.837 -3.363
117 HB2 CYS 20 HB2 CYS 20 -1.122 3.279 -3.190
118 HB3 CYS 20 HB1 CYS 20 -0.218 3.391 -4.692
119 H VAL 21 H VAL 21 -1.309 -0.736 -4.710
120 HA VAL 21 HA VAL 21 -0.205 -0.508 -7.418
121 HB VAL 21 HB VAL 21 0.109 -3.018 -7.427
122 HG11 VAL 21 HG11 VAL 21 2.044 -1.591 -7.083
123 HG12 VAL 21 HG12 VAL 21 2.197 -3.079 -6.148
124 HG13 VAL 21 3HG1 VAL 21 1.739 -1.577 -5.346
125 HG21 VAL 21 HG21 VAL 21 -1.380 -3.610 -5.580
126 HG22 VAL 21 HG22 VAL 21 -0.308 -2.793 -4.443
127 HG23 VAL 21 HG23 VAL 21 0.245 -4.235 -5.295
128 H GLY 22 H GLY 22 -2.645 0.343 -6.470
129 HA2 GLY 22 HA2 GLY 22 -4.812 0.233 -7.434
130 HA3 GLY 22 HA1 GLY 22 -4.548 -1.487 -7.779
131 H ILE 23 H ILE 23 -3.585 -2.394 -5.585
132 HA ILE 23 HA ILE 23 -5.487 -1.793 -3.438
133 HB ILE 23 HB ILE 23 -5.092 -4.101 -2.603
134 HG12 ILE 23 HG12 ILE 23 -3.623 -4.547 -5.223
135 HG13 ILE 23 HG11 ILE 23 -2.859 -4.439 -3.645
136 HG21 ILE 23 HG21 ILE 23 -6.429 -5.295 -4.281
137 HG22 ILE 23 HG22 ILE 23 -6.123 -3.991 -5.429
138 HG23 ILE 23 HG23 ILE 23 -7.047 -3.672 -3.962
139 HD11 ILE 23 HD11 ILE 23 -4.813 -6.555 -4.525
140 HD12 ILE 23 HD12 ILE 23 -4.042 -6.459 -2.941
141 HD13 ILE 23 HD13 ILE 23 -3.065 -6.746 -4.381
142 H CYS 24 H CYS 24 -4.531 -1.982 -1.310
143 HA CYS 24 HA CYS 24 -1.840 -1.020 -1.254
144 HB2 CYS 24 HB2 CYS 24 -3.743 -1.722 0.976
145 HB3 CYS 24 HB1 CYS 24 -2.167 -0.971 1.199
146 H ALA 25 H ALA 25 -0.156 -2.222 -1.290
147 HA ALA 25 HA ALA 25 -0.068 -4.755 0.102
148 HB1 ALA 25 HB1 ALA 25 0.845 -5.914 -1.872
149 HB2 ALA 25 HB2 ALA 25 0.531 -4.481 -2.851
150 HB3 ALA 25 HB3 ALA 25 -0.813 -5.380 -2.148
151 H LYS 26 H LYS 26 2.211 -5.497 0.164
152 HA LYS 26 HA LYS 26 3.921 -3.168 0.406
153 HB2 LYS 26 HB2 LYS 26 3.678 -4.722 2.336
154 HB3 LYS 26 HB1 LYS 26 4.365 -6.005 1.359
155 HG2 LYS 26 HG2 LYS 26 6.004 -5.074 2.897
156 HG3 LYS 26 HG1 LYS 26 6.473 -4.794 1.219
157 HD2 LYS 26 HD2 LYS 26 5.655 -2.500 1.365
158 HD3 LYS 26 HD1 LYS 26 5.121 -2.782 3.022
159 HE2 LYS 26 HE2 LYS 26 7.965 -2.974 2.053
160 HE3 LYS 26 HE1 LYS 26 7.278 -1.572 2.861
161 HZ1 LYS 26 HZ1 LYS 26 6.875 -2.930 4.816
162 HZ2 LYS 26 HZ2 LYS 26 8.503 -2.972 4.408
163 HZ3 LYS 26 HZ3 LYS 26 7.522 -4.293 4.067
164 H THR 27 H THR 27 5.220 -2.682 -1.232
165 HA THR 27 HA THR 27 5.745 -4.508 -3.342
166 HB THR 27 HB THR 27 7.134 -2.504 -4.115
167 HG1 THR 27 HG1 THR 27 7.415 -1.009 -2.671
168 HG21 THR 27 HG21 THR 27 4.197 -2.115 -3.498
169 HG22 THR 27 HG22 THR 27 4.855 -2.918 -4.924
170 HG23 THR 27 HG23 THR 27 5.124 -1.192 -4.678
171 H ILE 28 H ILE 28 7.984 -4.950 -4.068
172 HA ILE 28 HA ILE 28 9.641 -6.039 -2.092
173 HB ILE 28 HB ILE 28 10.518 -5.104 -4.851
174 HG12 ILE 28 HG12 ILE 28 9.460 -7.817 -4.005
175 HG13 ILE 28 HG11 ILE 28 8.566 -6.636 -4.956
176 HG21 ILE 28 HG21 ILE 28 12.255 -6.847 -4.626
177 HG22 ILE 28 HG22 ILE 28 11.699 -7.170 -2.984
178 HG23 ILE 28 HG23 ILE 28 12.397 -5.601 -3.386
179 HD11 ILE 28 HD11 ILE 28 10.201 -6.842 -6.755
180 HD12 ILE 28 HD12 ILE 28 9.501 -8.410 -6.352
181 HD13 ILE 28 HD13 ILE 28 11.120 -7.996 -5.793
182 H ALA 29 H ALA 29 10.064 -3.084 -3.981
183 HA ALA 29 HA ALA 29 11.866 -2.079 -1.926
184 HB1 ALA 29 HB1 ALA 29 12.402 -0.309 -3.544
185 HB2 ALA 29 HB2 ALA 29 11.216 -0.973 -4.664
186 HB3 ALA 29 HB3 ALA 29 12.655 -1.906 -4.249
187 HA PRO 30 HA PRO 30 8.191 -0.076 -0.267
188 HB2 PRO 30 HB2 PRO 30 10.274 1.390 1.256
189 HB3 PRO 30 HB1 PRO 30 8.846 0.520 1.832
190 HG2 PRO 30 HG2 PRO 30 11.280 -0.514 2.134
191 HG3 PRO 30 HG1 PRO 30 9.882 -1.531 1.740
192 HD2 PRO 30 HD2 PRO 30 12.089 -0.581 -0.032
193 HD3 PRO 30 HD1 PRO 30 11.245 -2.141 -0.000
194 H CYS 31 H CYS 31 7.203 1.855 -0.643
195 HA CYS 31 HA CYS 31 8.589 3.784 -2.325
196 HB2 CYS 31 HB2 CYS 31 6.288 4.615 -2.703
197 HB3 CYS 31 HB1 CYS 31 6.453 2.898 -3.079
198 H LYS 32 H LYS 32 8.277 3.312 0.857
199 HA LYS 32 HA LYS 32 7.853 6.128 1.479
200 HB2 LYS 32 HB2 LYS 32 7.087 3.664 3.024
201 HB3 LYS 32 HB1 LYS 32 7.067 5.285 3.713
202 HG2 LYS 32 HG2 LYS 32 5.355 5.980 2.261
203 HG3 LYS 32 HG1 LYS 32 5.550 4.557 1.237
204 HD2 LYS 32 HD2 LYS 32 4.712 3.134 2.952
205 HD3 LYS 32 HD1 LYS 32 4.680 4.468 4.113
206 HE2 LYS 32 HE2 LYS 32 2.978 5.574 2.871
207 HE3 LYS 32 HE1 LYS 32 3.104 4.407 1.557
208 HZ1 LYS 32 HZ1 LYS 32 2.355 3.606 4.302
209 HZ2 LYS 32 HZ2 LYS 32 2.150 2.754 2.825
210 HZ3 LYS 32 HZ3 LYS 32 1.218 4.109 3.166
Start of MODEL 18
1 H1 CYS 1 HT1 CYS 1 -6.206 4.704 7.787
2 H2 CYS 1 HT2 CYS 1 -7.132 5.458 6.591
3 H3 CYS 1 HT3 CYS 1 -5.701 6.190 7.157
4 HA CYS 1 HA CYS 1 -5.391 5.182 5.016
5 HB2 CYS 1 HB2 CYS 1 -3.412 3.834 5.634
6 HB3 CYS 1 HB1 CYS 1 -3.488 5.332 6.547
7 H ALA 2 H ALA 2 -5.216 3.234 3.795
8 HA ALA 2 HA ALA 2 -7.239 1.269 4.504
9 HB1 ALA 2 HB1 ALA 2 -7.328 2.334 2.297
10 HB2 ALA 2 HB2 ALA 2 -7.062 0.596 2.163
11 HB3 ALA 2 HB3 ALA 2 -5.716 1.715 1.935
12 H VAL 3 H VAL 3 -6.801 -0.945 4.541
13 HA VAL 3 HA VAL 3 -4.056 -1.601 5.295
14 HB VAL 3 HB VAL 3 -4.981 -3.738 6.107
15 HG11 VAL 3 HG11 VAL 3 -6.556 -1.363 7.060
16 HG12 VAL 3 HG12 VAL 3 -4.953 -1.832 7.616
17 HG13 VAL 3 3HG1 VAL 3 -6.338 -2.878 7.936
18 HG21 VAL 3 HG21 VAL 3 -7.620 -2.670 5.112
19 HG22 VAL 3 HG22 VAL 3 -7.432 -4.110 6.112
20 HG23 VAL 3 HG23 VAL 3 -6.755 -4.064 4.479
21 H THR 4 H THR 4 -3.584 -4.076 4.680
22 HA THR 4 HA THR 4 -3.034 -4.177 1.958
23 HB THR 4 HB THR 4 -3.272 -6.508 3.900
24 HG1 THR 4 HG1 THR 4 -1.719 -5.339 4.789
25 HG21 THR 4 HG21 THR 4 -1.661 -7.632 2.407
26 HG22 THR 4 HG22 THR 4 -1.706 -6.239 1.323
27 HG23 THR 4 HG23 THR 4 -3.150 -7.225 1.549
28 H HIS 5 H HIS 5 -4.108 -4.939 0.265
29 HA HIS 5 HA HIS 5 -5.562 -6.001 -1.068
30 HB2 HIS 5 HB2 HIS 5 -6.983 -7.025 1.405
31 HB3 HIS 5 HB1 HIS 5 -7.474 -7.412 -0.240
32 HD1 HIS 5 HD1 HIS 5 -5.985 -9.160 2.296
33 HD2 HIS 5 HD2 HIS 5 -4.725 -8.272 -1.558
34 HE1 HIS 5 HE1 HIS 5 -4.227 -10.871 1.721
35 H GLU 6 H GLU 6 -6.451 -3.638 1.139
36 HA GLU 6 HA GLU 6 -8.952 -3.024 -0.122
37 HB2 GLU 6 HB2 GLU 6 -7.145 -1.532 1.743
38 HB3 GLU 6 HB1 GLU 6 -8.502 -0.723 0.964
39 HG2 GLU 6 HG2 GLU 6 -9.925 -2.520 2.042
40 HG3 GLU 6 HG1 GLU 6 -8.482 -2.945 2.967
41 H LYS 7 H LYS 7 -9.338 -1.426 -1.676
42 HA LYS 7 HA LYS 7 -7.387 -0.950 -3.628
43 HB2 LYS 7 HB2 LYS 7 -9.976 -0.910 -3.718
44 HB3 LYS 7 HB1 LYS 7 -9.856 0.713 -3.076
45 HG2 LYS 7 HG2 LYS 7 -8.635 -0.192 -5.661
46 HG3 LYS 7 HG1 LYS 7 -10.241 0.510 -5.524
47 HD2 LYS 7 HD2 LYS 7 -9.178 2.558 -4.572
48 HD3 LYS 7 HD1 LYS 7 -7.602 1.834 -4.894
49 HE2 LYS 7 HE2 LYS 7 -8.119 3.312 -6.706
50 HE3 LYS 7 HE1 LYS 7 -8.251 1.657 -7.288
51 HZ1 LYS 7 HZ1 LYS 7 -10.096 2.946 -8.072
52 HZ2 LYS 7 HZ2 LYS 7 -10.491 3.446 -6.529
53 HZ3 LYS 7 HZ3 LYS 7 -10.697 1.822 -6.969
54 H CYS 8 H CYS 8 -6.155 1.009 -3.990
55 HA CYS 8 HA CYS 8 -5.874 2.642 -1.562
56 HB2 CYS 8 HB2 CYS 8 -3.515 2.922 -2.305
57 HB3 CYS 8 HB1 CYS 8 -3.947 1.273 -1.871
58 H SER 9 H SER 9 -5.932 4.830 -1.750
59 HA SER 9 HA SER 9 -6.437 5.908 -4.398
60 HB2 SER 9 HB2 SER 9 -6.502 7.241 -1.679
61 HB3 SER 9 HB1 SER 9 -7.055 7.959 -3.193
62 HG SER 9 HG SER 9 -8.075 5.514 -2.212
63 H ASP 10 H ASP 10 -3.863 5.476 -2.210
64 HA ASP 10 HA ASP 10 -1.901 6.596 -3.873
65 HB2 ASP 10 HB2 ASP 10 -2.920 8.732 -2.849
66 HB3 ASP 10 HB1 ASP 10 -2.368 8.141 -1.289
67 H ASP 11 H ASP 11 0.236 6.509 -2.546
68 HA ASP 11 HA ASP 11 0.389 4.005 -1.156
69 HB2 ASP 11 HB2 ASP 11 2.452 6.223 -1.232
70 HB3 ASP 11 HB1 ASP 11 2.733 4.548 -0.790
71 H TYR 12 H TYR 12 0.302 7.403 -0.346
72 HA TYR 12 HA TYR 12 0.833 6.951 2.435
73 HB2 TYR 12 HB2 TYR 12 -0.101 9.428 0.981
74 HB3 TYR 12 HB1 TYR 12 0.334 9.374 2.686
75 HD1 TYR 12 HD1 TYR 12 1.542 9.758 -0.651
76 HD2 TYR 12 HD2 TYR 12 2.718 8.672 3.279
77 HE1 TYR 12 HE1 TYR 12 3.888 10.157 -1.258
78 HE2 TYR 12 HE2 TYR 12 5.063 9.066 2.692
79 HH TYR 12 HH TYR 12 5.975 10.685 -0.173
80 H ASP 13 H ASP 13 -1.801 6.523 0.516
81 HA ASP 13 HA ASP 13 -3.788 7.023 2.568
82 HB2 ASP 13 HB2 ASP 13 -4.457 7.492 0.281
83 HB3 ASP 13 HB1 ASP 13 -3.942 5.903 -0.249
84 H CYS 14 H CYS 14 -1.609 4.633 1.680
85 HA CYS 14 HA CYS 14 -3.154 2.453 2.849
86 HB2 CYS 14 HB2 CYS 14 -0.419 2.454 1.553
87 HB3 CYS 14 HB1 CYS 14 -1.310 1.033 2.096
88 H CYS 15 H CYS 15 -2.540 1.421 4.714
89 HA CYS 15 HA CYS 15 -1.268 2.973 6.709
90 HB2 CYS 15 HB2 CYS 15 -2.028 0.053 6.727
91 HB3 CYS 15 HB1 CYS 15 -1.617 1.016 8.137
92 H GLY 16 H GLY 16 0.637 2.642 7.799
93 HA2 GLY 16 HA2 GLY 16 2.779 2.079 8.200
94 HA3 GLY 16 HA1 GLY 16 2.322 0.468 7.700
95 H SER 17 H SER 17 3.723 -0.283 6.318
96 HA SER 17 HA SER 17 5.261 1.542 4.693
97 HB2 SER 17 HB2 SER 17 6.561 -0.638 4.322
98 HB3 SER 17 HB1 SER 17 6.598 0.090 5.931
99 HG SER 17 HG SER 17 6.168 -2.022 6.213
100 H LEU 18 H LEU 18 2.411 0.073 4.283
101 HA LEU 18 HA LEU 18 2.669 -1.393 1.877
102 HB2 LEU 18 HB2 LEU 18 0.297 0.101 2.948
103 HB3 LEU 18 HB1 LEU 18 0.246 -1.082 1.656
104 HG LEU 18 HG LEU 18 0.935 -1.613 4.539
105 HD11 LEU 18 HD11 LEU 18 -1.186 -2.820 4.559
106 HD12 LEU 18 HD12 LEU 18 -1.482 -2.308 2.899
107 HD13 LEU 18 HD13 LEU 18 -1.409 -1.108 4.191
108 HD21 LEU 18 HD21 LEU 18 2.153 -3.118 3.076
109 HD22 LEU 18 HD22 LEU 18 0.669 -3.488 2.197
110 HD23 LEU 18 HD23 LEU 18 0.838 -3.974 3.883
111 H CYS 19 H CYS 19 2.202 -0.820 -0.216
112 HA CYS 19 HA CYS 19 2.252 2.045 -0.784
113 HB2 CYS 19 HB2 CYS 19 3.659 -0.180 -2.291
114 HB3 CYS 19 HB1 CYS 19 3.623 1.516 -2.766
115 H CYS 20 H CYS 20 1.401 2.459 -3.012
116 HA CYS 20 HA CYS 20 -1.120 1.041 -3.211
117 HB2 CYS 20 HB2 CYS 20 -0.947 3.546 -3.174
118 HB3 CYS 20 HB1 CYS 20 -0.106 3.459 -4.713
119 H VAL 21 H VAL 21 -1.257 -0.623 -4.514
120 HA VAL 21 HA VAL 21 0.301 -0.719 -7.031
121 HB VAL 21 HB VAL 21 -0.404 -3.174 -5.402
122 HG11 VAL 21 HG11 VAL 21 0.284 -3.600 -7.651
123 HG12 VAL 21 HG12 VAL 21 1.525 -4.187 -6.540
124 HG13 VAL 21 3HG1 VAL 21 1.767 -2.675 -7.413
125 HG21 VAL 21 HG21 VAL 21 0.879 -1.815 -3.846
126 HG22 VAL 21 HG22 VAL 21 2.153 -1.612 -5.048
127 HG23 VAL 21 HG23 VAL 21 1.828 -3.207 -4.370
128 H GLY 22 H GLY 22 -2.305 0.278 -6.575
129 HA2 GLY 22 HA2 GLY 22 -4.342 0.023 -7.742
130 HA3 GLY 22 HA1 GLY 22 -4.041 -1.721 -7.858
131 H ILE 23 H ILE 23 -3.337 -2.357 -5.491
132 HA ILE 23 HA ILE 23 -5.380 -1.508 -3.583
133 HB ILE 23 HB ILE 23 -5.254 -3.803 -2.604
134 HG12 ILE 23 HG12 ILE 23 -3.690 -4.502 -5.107
135 HG13 ILE 23 HG11 ILE 23 -3.018 -4.410 -3.486
136 HG21 ILE 23 HG21 ILE 23 -7.095 -3.284 -4.078
137 HG22 ILE 23 HG22 ILE 23 -6.598 -4.961 -4.309
138 HG23 ILE 23 HG23 ILE 23 -6.132 -3.733 -5.485
139 HD11 ILE 23 HD11 ILE 23 -4.417 -6.287 -2.799
140 HD12 ILE 23 HD12 ILE 23 -3.414 -6.713 -4.186
141 HD13 ILE 23 HD13 ILE 23 -5.125 -6.354 -4.413
142 H CYS 24 H CYS 24 -4.564 -1.664 -1.368
143 HA CYS 24 HA CYS 24 -1.845 -0.840 -1.160
144 HB2 CYS 24 HB2 CYS 24 -3.843 -1.599 0.982
145 HB3 CYS 24 HB1 CYS 24 -2.268 -0.881 1.287
146 H ALA 25 H ALA 25 -0.206 -2.135 -1.203
147 HA ALA 25 HA ALA 25 -0.325 -4.705 0.113
148 HB1 ALA 25 HB1 ALA 25 0.553 -5.885 -1.855
149 HB2 ALA 25 HB2 ALA 25 0.389 -4.411 -2.810
150 HB3 ALA 25 HB3 ALA 25 -1.047 -5.212 -2.173
151 H LYS 26 H LYS 26 1.861 -5.662 0.095
152 HA LYS 26 HA LYS 26 3.795 -3.561 0.564
153 HB2 LYS 26 HB2 LYS 26 3.433 -5.272 2.298
154 HB3 LYS 26 HB1 LYS 26 3.874 -6.524 1.151
155 HG2 LYS 26 HG2 LYS 26 6.146 -5.765 1.097
156 HG3 LYS 26 HG1 LYS 26 5.735 -4.339 2.049
157 HD2 LYS 26 HD2 LYS 26 6.820 -6.038 3.441
158 HD3 LYS 26 HD1 LYS 26 5.162 -5.752 3.953
159 HE2 LYS 26 HE2 LYS 26 5.630 -8.125 4.003
160 HE3 LYS 26 HE1 LYS 26 4.466 -7.783 2.732
161 HZ1 LYS 26 HZ1 LYS 26 6.246 -7.937 1.107
162 HZ2 LYS 26 HZ2 LYS 26 6.135 -9.338 2.026
163 HZ3 LYS 26 HZ3 LYS 26 7.367 -8.227 2.343
164 H THR 27 H THR 27 5.294 -3.083 -0.879
165 HA THR 27 HA THR 27 5.600 -4.722 -3.230
166 HB THR 27 HB THR 27 6.968 -2.660 -3.926
167 HG1 THR 27 HG1 THR 27 7.121 -1.112 -2.551
168 HG21 THR 27 HG21 THR 27 4.024 -2.353 -3.316
169 HG22 THR 27 HG22 THR 27 4.703 -3.108 -4.759
170 HG23 THR 27 HG23 THR 27 4.941 -1.384 -4.469
171 H ILE 28 H ILE 28 7.800 -5.059 -4.074
172 HA ILE 28 HA ILE 28 9.568 -6.056 -2.059
173 HB ILE 28 HB ILE 28 10.232 -5.640 -5.003
174 HG12 ILE 28 HG12 ILE 28 8.945 -8.064 -3.737
175 HG13 ILE 28 HG11 ILE 28 8.075 -6.893 -4.721
176 HG21 ILE 28 HG21 ILE 28 12.097 -6.226 -3.503
177 HG22 ILE 28 HG22 ILE 28 11.749 -7.528 -4.639
178 HG23 ILE 28 HG23 ILE 28 11.211 -7.652 -2.965
179 HD11 ILE 28 HD11 ILE 28 9.490 -7.491 -6.635
180 HD12 ILE 28 HD12 ILE 28 8.619 -8.885 -5.996
181 HD13 ILE 28 HD13 ILE 28 10.332 -8.670 -5.631
182 H ALA 29 H ALA 29 9.335 -3.256 -4.102
183 HA ALA 29 HA ALA 29 11.685 -2.058 -2.837
184 HB1 ALA 29 HB1 ALA 29 10.115 -1.191 -5.274
185 HB2 ALA 29 HB2 ALA 29 11.676 -2.012 -5.285
186 HB3 ALA 29 HB3 ALA 29 11.544 -0.377 -4.635
187 HA PRO 30 HA PRO 30 8.564 -0.022 -0.241
188 HB2 PRO 30 HB2 PRO 30 10.959 1.473 0.675
189 HB3 PRO 30 HB1 PRO 30 9.780 0.563 1.624
190 HG2 PRO 30 HG2 PRO 30 12.219 -0.408 1.236
191 HG3 PRO 30 HG1 PRO 30 10.802 -1.472 1.189
192 HD2 PRO 30 HD2 PRO 30 12.382 -0.333 -1.090
193 HD3 PRO 30 HD1 PRO 30 11.744 -1.976 -0.856
194 H CYS 31 H CYS 31 7.543 1.948 -0.323
195 HA CYS 31 HA CYS 31 8.576 3.857 -2.296
196 HB2 CYS 31 HB2 CYS 31 6.213 4.614 -2.430
197 HB3 CYS 31 HB1 CYS 31 6.413 2.917 -2.861
198 H LYS 32 H LYS 32 8.137 3.379 1.010
199 HA LYS 32 HA LYS 32 8.118 6.270 1.524
200 HB2 LYS 32 HB2 LYS 32 7.160 4.037 3.324
201 HB3 LYS 32 HB1 LYS 32 7.098 5.750 3.686
202 HG2 LYS 32 HG2 LYS 32 5.480 6.091 1.931
203 HG3 LYS 32 HG1 LYS 32 5.610 4.396 1.454
204 HD2 LYS 32 HD2 LYS 32 4.844 3.759 3.729
205 HD3 LYS 32 HD1 LYS 32 4.587 5.470 4.075
206 HE2 LYS 32 HE2 LYS 32 2.994 5.611 2.249
207 HE3 LYS 32 HE1 LYS 32 3.275 3.916 1.859
208 HZ1 LYS 32 HZ1 LYS 32 2.075 4.971 4.359
209 HZ2 LYS 32 HZ2 LYS 32 2.477 3.378 4.118
210 HZ3 LYS 32 HZ3 LYS 32 1.285 4.092 3.150
Start of MODEL 19
1 H1 CYS 1 HT1 CYS 1 -6.084 6.024 7.390
2 H2 CYS 1 HT2 CYS 1 -6.104 4.387 7.826
3 H3 CYS 1 HT3 CYS 1 -7.401 5.039 6.982
4 HA CYS 1 HA CYS 1 -6.079 5.341 5.083
5 HB2 CYS 1 HB2 CYS 1 -3.747 4.283 5.139
6 HB3 CYS 1 HB1 CYS 1 -3.927 5.830 5.947
7 H ALA 2 H ALA 2 -5.300 3.416 3.690
8 HA ALA 2 HA ALA 2 -7.193 1.315 4.221
9 HB1 ALA 2 HB1 ALA 2 -7.080 2.371 2.019
10 HB2 ALA 2 HB2 ALA 2 -6.729 0.648 1.928
11 HB3 ALA 2 HB3 ALA 2 -5.416 1.820 1.843
12 H VAL 3 H VAL 3 -6.735 -0.714 4.646
13 HA VAL 3 HA VAL 3 -4.014 -1.341 5.478
14 HB VAL 3 HB VAL 3 -4.967 -3.337 6.517
15 HG11 VAL 3 HG11 VAL 3 -6.587 -0.877 7.116
16 HG12 VAL 3 HG12 VAL 3 -5.030 -1.315 7.820
17 HG13 VAL 3 3HG1 VAL 3 -6.458 -2.293 8.159
18 HG21 VAL 3 HG21 VAL 3 -7.576 -2.472 5.270
19 HG22 VAL 3 HG22 VAL 3 -7.419 -3.765 6.466
20 HG23 VAL 3 HG23 VAL 3 -6.658 -3.920 4.878
21 H THR 4 H THR 4 -3.705 -3.961 5.056
22 HA THR 4 HA THR 4 -3.046 -4.130 2.353
23 HB THR 4 HB THR 4 -3.438 -6.462 4.272
24 HG1 THR 4 HG1 THR 4 -1.964 -5.175 5.267
25 HG21 THR 4 HG21 THR 4 -1.683 -6.134 1.824
26 HG22 THR 4 HG22 THR 4 -3.137 -7.128 1.922
27 HG23 THR 4 HG23 THR 4 -1.713 -7.548 2.875
28 H HIS 5 H HIS 5 -4.093 -4.825 0.638
29 HA HIS 5 HA HIS 5 -5.515 -5.846 -0.753
30 HB2 HIS 5 HB2 HIS 5 -7.057 -6.869 1.644
31 HB3 HIS 5 HB1 HIS 5 -7.416 -7.287 -0.026
32 HD1 HIS 5 HD1 HIS 5 -5.971 -8.806 2.753
33 HD2 HIS 5 HD2 HIS 5 -4.708 -8.304 -1.173
34 HE1 HIS 5 HE1 HIS 5 -4.226 -10.567 2.353
35 H GLU 6 H GLU 6 -6.416 -3.407 1.367
36 HA GLU 6 HA GLU 6 -8.949 -2.887 0.083
37 HB2 GLU 6 HB2 GLU 6 -7.232 -1.309 1.986
38 HB3 GLU 6 HB1 GLU 6 -8.690 -0.614 1.262
39 HG2 GLU 6 HG2 GLU 6 -9.899 -2.537 2.356
40 HG3 GLU 6 HG1 GLU 6 -8.381 -2.885 3.191
41 H LYS 7 H LYS 7 -9.327 -1.193 -1.399
42 HA LYS 7 HA LYS 7 -7.380 -0.789 -3.371
43 HB2 LYS 7 HB2 LYS 7 -8.881 0.927 -4.301
44 HB3 LYS 7 HB1 LYS 7 -9.750 -0.539 -3.888
45 HG2 LYS 7 HG2 LYS 7 -10.564 0.532 -1.832
46 HG3 LYS 7 HG1 LYS 7 -9.671 1.992 -2.247
47 HD2 LYS 7 HD2 LYS 7 -11.986 2.289 -2.850
48 HD3 LYS 7 HD1 LYS 7 -11.020 2.176 -4.318
49 HE2 LYS 7 HE2 LYS 7 -13.071 0.907 -4.545
50 HE3 LYS 7 HE1 LYS 7 -11.687 -0.180 -4.565
51 HZ1 LYS 7 HZ1 LYS 7 -13.525 -1.008 -3.193
52 HZ2 LYS 7 HZ2 LYS 7 -13.416 0.336 -2.203
53 HZ3 LYS 7 HZ3 LYS 7 -12.143 -0.766 -2.276
54 H CYS 8 H CYS 8 -6.148 1.053 -3.933
55 HA CYS 8 HA CYS 8 -5.616 2.785 -1.620
56 HB2 CYS 8 HB2 CYS 8 -3.304 2.916 -2.516
57 HB3 CYS 8 HB1 CYS 8 -3.774 1.300 -1.999
58 H SER 9 H SER 9 -5.671 4.931 -1.941
59 HA SER 9 HA SER 9 -6.294 5.914 -4.617
60 HB2 SER 9 HB2 SER 9 -6.037 7.518 -2.076
61 HB3 SER 9 HB1 SER 9 -7.013 7.881 -3.504
62 HG SER 9 HG SER 9 -7.386 5.970 -1.498
63 H ASP 10 H ASP 10 -3.718 5.583 -2.395
64 HA ASP 10 HA ASP 10 -1.766 6.740 -4.094
65 HB2 ASP 10 HB2 ASP 10 -2.765 8.773 -2.919
66 HB3 ASP 10 HB1 ASP 10 -2.270 8.037 -1.400
67 H ASP 11 H ASP 11 0.341 6.415 -2.960
68 HA ASP 11 HA ASP 11 0.491 3.874 -1.662
69 HB2 ASP 11 HB2 ASP 11 2.645 6.004 -1.826
70 HB3 ASP 11 HB1 ASP 11 2.893 4.325 -1.385
71 H TYR 12 H TYR 12 0.588 7.211 -0.563
72 HA TYR 12 HA TYR 12 1.163 6.401 2.162
73 HB2 TYR 12 HB2 TYR 12 0.585 9.154 1.043
74 HB3 TYR 12 HB1 TYR 12 1.154 8.813 2.673
75 HD1 TYR 12 HD1 TYR 12 3.451 7.746 2.941
76 HD2 TYR 12 HD2 TYR 12 2.097 9.381 -0.740
77 HE1 TYR 12 HE1 TYR 12 5.772 7.836 2.129
78 HE2 TYR 12 HE2 TYR 12 4.411 9.473 -1.559
79 HH TYR 12 HH TYR 12 6.928 7.838 -0.040
80 H ASP 13 H ASP 13 -1.450 6.308 0.329
81 HA ASP 13 HA ASP 13 -3.447 7.105 2.293
82 HB2 ASP 13 HB2 ASP 13 -3.896 7.463 -0.109
83 HB3 ASP 13 HB1 ASP 13 -3.663 5.756 -0.423
84 H CYS 14 H CYS 14 -1.463 4.545 1.569
85 HA CYS 14 HA CYS 14 -3.127 2.486 2.768
86 HB2 CYS 14 HB2 CYS 14 -0.347 2.373 1.588
87 HB3 CYS 14 HB1 CYS 14 -1.321 0.997 2.107
88 H CYS 15 H CYS 15 -2.540 1.488 4.676
89 HA CYS 15 HA CYS 15 -1.024 3.043 6.557
90 HB2 CYS 15 HB2 CYS 15 -2.293 0.314 6.807
91 HB3 CYS 15 HB1 CYS 15 -1.696 1.295 8.146
92 H GLY 16 H GLY 16 0.599 1.795 8.012
93 HA2 GLY 16 HA2 GLY 16 2.574 0.696 8.297
94 HA3 GLY 16 HA1 GLY 16 1.894 -0.533 7.250
95 H SER 17 H SER 17 3.720 -1.030 6.120
96 HA SER 17 HA SER 17 5.082 1.096 4.690
97 HB2 SER 17 HB2 SER 17 6.660 -0.937 4.276
98 HB3 SER 17 HB1 SER 17 6.633 -0.182 5.873
99 HG SER 17 HG SER 17 6.347 -2.186 6.404
100 H LEU 18 H LEU 18 2.415 -0.057 4.087
101 HA LEU 18 HA LEU 18 2.698 -1.659 1.717
102 HB2 LEU 18 HB2 LEU 18 0.313 -0.170 2.767
103 HB3 LEU 18 HB1 LEU 18 0.300 -1.419 1.541
104 HG LEU 18 HG LEU 18 0.996 -1.807 4.445
105 HD11 LEU 18 HD11 LEU 18 -1.133 -3.005 4.522
106 HD12 LEU 18 HD12 LEU 18 -1.436 -2.533 2.848
107 HD13 LEU 18 HD13 LEU 18 -1.338 -1.303 4.108
108 HD21 LEU 18 HD21 LEU 18 0.674 -3.809 2.208
109 HD22 LEU 18 HD22 LEU 18 0.907 -4.188 3.915
110 HD23 LEU 18 HD23 LEU 18 2.186 -3.378 3.013
111 H CYS 19 H CYS 19 2.184 -0.981 -0.357
112 HA CYS 19 HA CYS 19 2.192 1.894 -0.794
113 HB2 CYS 19 HB2 CYS 19 3.645 -0.252 -2.361
114 HB3 CYS 19 HB1 CYS 19 3.534 1.447 -2.824
115 H CYS 20 H CYS 20 1.529 2.175 -3.292
116 HA CYS 20 HA CYS 20 -1.083 0.903 -3.344
117 HB2 CYS 20 HB2 CYS 20 -0.971 3.351 -3.306
118 HB3 CYS 20 HB1 CYS 20 -0.034 3.328 -4.792
119 H VAL 21 H VAL 21 -1.349 -0.747 -4.626
120 HA VAL 21 HA VAL 21 -0.249 -0.698 -7.330
121 HB VAL 21 HB VAL 21 0.108 -3.212 -7.196
122 HG11 VAL 21 HG11 VAL 21 2.266 -3.108 -6.033
123 HG12 VAL 21 HG12 VAL 21 1.801 -1.558 -5.331
124 HG13 VAL 21 3HG1 VAL 21 2.009 -1.707 -7.074
125 HG21 VAL 21 HG21 VAL 21 -1.262 -3.676 -5.218
126 HG22 VAL 21 HG22 VAL 21 -0.137 -2.758 -4.217
127 HG23 VAL 21 HG23 VAL 21 0.390 -4.253 -4.994
128 H GLY 22 H GLY 22 -2.685 0.181 -6.633
129 HA2 GLY 22 HA2 GLY 22 -4.832 -0.090 -7.589
130 HA3 GLY 22 HA1 GLY 22 -4.548 -1.835 -7.688
131 H ILE 23 H ILE 23 -3.636 -2.427 -5.363
132 HA ILE 23 HA ILE 23 -5.523 -1.526 -3.324
133 HB ILE 23 HB ILE 23 -5.325 -3.790 -2.298
134 HG12 ILE 23 HG12 ILE 23 -4.009 -4.575 -4.915
135 HG13 ILE 23 HG11 ILE 23 -3.178 -4.435 -3.373
136 HG21 ILE 23 HG21 ILE 23 -7.279 -3.271 -3.613
137 HG22 ILE 23 HG22 ILE 23 -6.828 -4.961 -3.840
138 HG23 ILE 23 HG23 ILE 23 -6.450 -3.770 -5.087
139 HD11 ILE 23 HD11 ILE 23 -3.655 -6.755 -3.956
140 HD12 ILE 23 HD12 ILE 23 -5.383 -6.392 -4.008
141 HD13 ILE 23 HD13 ILE 23 -4.498 -6.276 -2.487
142 H CYS 24 H CYS 24 -4.570 -1.782 -1.176
143 HA CYS 24 HA CYS 24 -1.852 -0.927 -1.171
144 HB2 CYS 24 HB2 CYS 24 -3.758 -1.538 1.084
145 HB3 CYS 24 HB1 CYS 24 -2.161 -0.817 1.284
146 H ALA 25 H ALA 25 -0.224 -2.190 -1.271
147 HA ALA 25 HA ALA 25 -0.051 -4.631 0.244
148 HB1 ALA 25 HB1 ALA 25 0.211 -4.609 -2.775
149 HB2 ALA 25 HB2 ALA 25 -1.049 -5.432 -1.856
150 HB3 ALA 25 HB3 ALA 25 0.628 -5.967 -1.731
151 H LYS 26 H LYS 26 2.211 -5.373 0.177
152 HA LYS 26 HA LYS 26 3.922 -3.026 0.097
153 HB2 LYS 26 HB2 LYS 26 3.862 -4.420 2.125
154 HB3 LYS 26 HB1 LYS 26 4.471 -5.783 1.199
155 HG2 LYS 26 HG2 LYS 26 6.528 -4.500 0.717
156 HG3 LYS 26 HG1 LYS 26 5.920 -3.191 1.727
157 HD2 LYS 26 HD2 LYS 26 6.493 -6.012 2.640
158 HD3 LYS 26 HD1 LYS 26 7.512 -4.607 2.938
159 HE2 LYS 26 HE2 LYS 26 5.707 -3.565 4.221
160 HE3 LYS 26 HE1 LYS 26 4.681 -4.961 3.899
161 HZ1 LYS 26 HZ1 LYS 26 6.279 -6.337 5.114
162 HZ2 LYS 26 HZ2 LYS 26 5.644 -5.122 6.078
163 HZ3 LYS 26 HZ3 LYS 26 7.203 -4.968 5.470
164 H THR 27 H THR 27 5.186 -2.646 -1.589
165 HA THR 27 HA THR 27 5.662 -4.546 -3.639
166 HB THR 27 HB THR 27 7.139 -2.534 -4.354
167 HG1 THR 27 HG1 THR 27 7.245 -0.979 -2.921
168 HG21 THR 27 HG21 THR 27 4.904 -2.991 -5.298
169 HG22 THR 27 HG22 THR 27 5.153 -1.259 -5.067
170 HG23 THR 27 HG23 THR 27 4.163 -2.169 -3.926
171 H ILE 28 H ILE 28 8.193 -4.514 -4.360
172 HA ILE 28 HA ILE 28 9.595 -5.759 -2.203
173 HB ILE 28 HB ILE 28 10.655 -4.948 -4.938
174 HG12 ILE 28 HG12 ILE 28 9.693 -7.624 -3.889
175 HG13 ILE 28 HG11 ILE 28 8.840 -6.605 -5.039
176 HG21 ILE 28 HG21 ILE 28 12.505 -6.511 -4.472
177 HG22 ILE 28 HG22 ILE 28 11.869 -6.773 -2.848
178 HG23 ILE 28 HG23 ILE 28 12.473 -5.181 -3.312
179 HD11 ILE 28 HD11 ILE 28 9.964 -8.478 -6.121
180 HD12 ILE 28 HD12 ILE 28 11.514 -7.908 -5.500
181 HD13 ILE 28 HD13 ILE 28 10.617 -6.933 -6.663
182 H ALA 29 H ALA 29 9.907 -2.712 -3.916
183 HA ALA 29 HA ALA 29 11.686 -1.777 -1.816
184 HB1 ALA 29 HB1 ALA 29 12.192 0.066 -3.332
185 HB2 ALA 29 HB2 ALA 29 11.069 -0.594 -4.525
186 HB3 ALA 29 HB3 ALA 29 12.529 -1.491 -4.088
187 HA PRO 30 HA PRO 30 8.044 0.165 -0.256
188 HB2 PRO 30 HB2 PRO 30 9.215 1.624 1.705
189 HB3 PRO 30 HB1 PRO 30 8.964 -0.121 1.835
190 HG2 PRO 30 HG2 PRO 30 11.434 1.389 1.101
191 HG3 PRO 30 HG1 PRO 30 11.265 -0.034 2.144
192 HD2 PRO 30 HD2 PRO 30 12.098 -0.152 -0.435
193 HD3 PRO 30 HD1 PRO 30 11.228 -1.487 0.343
194 H CYS 31 H CYS 31 6.987 1.952 -0.698
195 HA CYS 31 HA CYS 31 8.166 4.048 -2.246
196 HB2 CYS 31 HB2 CYS 31 5.761 4.841 -2.167
197 HB3 CYS 31 HB1 CYS 31 5.999 3.224 -2.839
198 H LYS 32 H LYS 32 7.884 3.389 0.988
199 HA LYS 32 HA LYS 32 7.835 6.210 1.763
200 HB2 LYS 32 HB2 LYS 32 7.150 3.793 3.447
201 HB3 LYS 32 HB1 LYS 32 6.949 5.481 3.895
202 HG2 LYS 32 HG2 LYS 32 5.213 5.724 2.193
203 HG3 LYS 32 HG1 LYS 32 5.443 4.041 1.718
204 HD2 LYS 32 HD2 LYS 32 4.825 3.342 3.987
205 HD3 LYS 32 HD1 LYS 32 4.534 5.029 4.413
206 HE2 LYS 32 HE2 LYS 32 2.822 5.126 2.626
207 HE3 LYS 32 HE1 LYS 32 3.078 3.406 2.331
208 HZ1 LYS 32 HZ1 LYS 32 2.448 2.999 4.666
209 HZ2 LYS 32 HZ2 LYS 32 1.190 3.716 3.796
210 HZ3 LYS 32 HZ3 LYS 32 2.106 4.633 4.846
Start of MODEL 20
1 H1 CYS 1 HT1 CYS 1 -7.529 5.641 6.342
2 H2 CYS 1 HT2 CYS 1 -6.187 6.502 6.838
3 H3 CYS 1 HT3 CYS 1 -6.535 4.990 7.541
4 HA CYS 1 HA CYS 1 -5.795 5.456 4.746
5 HB2 CYS 1 HB2 CYS 1 -3.744 4.182 5.377
6 HB3 CYS 1 HB1 CYS 1 -3.873 5.744 6.169
7 H ALA 2 H ALA 2 -5.499 3.530 3.538
8 HA ALA 2 HA ALA 2 -7.499 1.530 4.143
9 HB1 ALA 2 HB1 ALA 2 -5.698 1.887 1.747
10 HB2 ALA 2 HB2 ALA 2 -7.354 2.474 1.890
11 HB3 ALA 2 HB3 ALA 2 -7.031 0.741 1.870
12 H VAL 3 H VAL 3 -7.029 -0.701 4.264
13 HA VAL 3 HA VAL 3 -4.311 -1.213 5.231
14 HB VAL 3 HB VAL 3 -5.220 -3.209 6.348
15 HG11 VAL 3 HG11 VAL 3 -5.132 -1.142 7.584
16 HG12 VAL 3 HG12 VAL 3 -6.552 -2.074 8.056
17 HG13 VAL 3 3HG1 VAL 3 -6.723 -0.685 6.981
18 HG21 VAL 3 HG21 VAL 3 -7.030 -3.765 4.839
19 HG22 VAL 3 HG22 VAL 3 -7.867 -2.282 5.244
20 HG23 VAL 3 HG23 VAL 3 -7.681 -3.549 6.468
21 H THR 4 H THR 4 -3.960 -3.826 4.983
22 HA THR 4 HA THR 4 -3.216 -4.139 2.321
23 HB THR 4 HB THR 4 -3.593 -6.345 4.380
24 HG1 THR 4 HG1 THR 4 -2.196 -4.867 5.278
25 HG21 THR 4 HG21 THR 4 -3.219 -7.174 2.101
26 HG22 THR 4 HG22 THR 4 -1.791 -7.455 3.104
27 HG23 THR 4 HG23 THR 4 -1.810 -6.128 1.947
28 H HIS 5 H HIS 5 -4.140 -5.000 0.604
29 HA HIS 5 HA HIS 5 -5.503 -6.063 -0.807
30 HB2 HIS 5 HB2 HIS 5 -6.934 -7.102 1.629
31 HB3 HIS 5 HB1 HIS 5 -7.550 -7.381 0.007
32 HD1 HIS 5 HD1 HIS 5 -5.452 -8.928 2.483
33 HD2 HIS 5 HD2 HIS 5 -5.470 -8.695 -1.664
34 HE1 HIS 5 HE1 HIS 5 -4.099 -10.884 1.672
35 H GLU 6 H GLU 6 -6.579 -3.676 1.283
36 HA GLU 6 HA GLU 6 -8.972 -3.150 -0.234
37 HB2 GLU 6 HB2 GLU 6 -7.501 -1.467 1.818
38 HB3 GLU 6 HB1 GLU 6 -9.041 -1.015 1.083
39 HG2 GLU 6 HG2 GLU 6 -9.945 -3.143 2.084
40 HG3 GLU 6 HG1 GLU 6 -8.423 -3.267 2.965
41 H LYS 7 H LYS 7 -9.195 -1.201 -1.540
42 HA LYS 7 HA LYS 7 -6.993 -0.981 -3.312
43 HB2 LYS 7 HB2 LYS 7 -9.618 0.488 -3.250
44 HB3 LYS 7 HB1 LYS 7 -8.414 0.679 -4.522
45 HG2 LYS 7 HG2 LYS 7 -8.571 -1.722 -5.009
46 HG3 LYS 7 HG1 LYS 7 -9.796 -1.860 -3.749
47 HD2 LYS 7 HD2 LYS 7 -11.265 -0.380 -4.976
48 HD3 LYS 7 HD1 LYS 7 -10.035 -0.164 -6.220
49 HE2 LYS 7 HE2 LYS 7 -11.720 -1.794 -6.909
50 HE3 LYS 7 HE1 LYS 7 -10.130 -2.532 -6.764
51 HZ1 LYS 7 HZ1 LYS 7 -10.780 -3.468 -4.656
52 HZ2 LYS 7 HZ2 LYS 7 -11.937 -3.888 -5.815
53 HZ3 LYS 7 HZ3 LYS 7 -12.263 -2.680 -4.705
54 H CYS 8 H CYS 8 -5.932 0.951 -3.971
55 HA CYS 8 HA CYS 8 -5.497 2.705 -1.661
56 HB2 CYS 8 HB2 CYS 8 -3.175 2.894 -2.471
57 HB3 CYS 8 HB1 CYS 8 -3.613 1.255 -2.007
58 H SER 9 H SER 9 -5.558 4.851 -1.982
59 HA SER 9 HA SER 9 -6.004 5.812 -4.681
60 HB2 SER 9 HB2 SER 9 -6.008 7.286 -2.030
61 HB3 SER 9 HB1 SER 9 -6.607 7.900 -3.576
62 HG SER 9 HG SER 9 -7.679 5.520 -2.997
63 H ASP 10 H ASP 10 -3.566 5.483 -2.274
64 HA ASP 10 HA ASP 10 -1.465 6.358 -3.935
65 HB2 ASP 10 HB2 ASP 10 -2.246 8.607 -3.288
66 HB3 ASP 10 HB1 ASP 10 -2.216 8.135 -1.591
67 H ASP 11 H ASP 11 0.609 6.274 -2.591
68 HA ASP 11 HA ASP 11 0.717 3.777 -1.217
69 HB2 ASP 11 HB2 ASP 11 2.803 5.966 -1.207
70 HB3 ASP 11 HB1 ASP 11 3.059 4.282 -0.787
71 H TYR 12 H TYR 12 0.786 7.146 -0.179
72 HA TYR 12 HA TYR 12 1.194 6.384 2.578
73 HB2 TYR 12 HB2 TYR 12 0.759 9.107 1.332
74 HB3 TYR 12 HB1 TYR 12 1.209 8.811 3.008
75 HD1 TYR 12 HD1 TYR 12 2.368 8.770 -0.473
76 HD2 TYR 12 HD2 TYR 12 3.494 8.173 3.583
77 HE1 TYR 12 HE1 TYR 12 4.729 8.853 -1.125
78 HE2 TYR 12 HE2 TYR 12 5.871 8.252 2.933
79 HH TYR 12 HH TYR 12 7.256 7.887 0.855
80 H ASP 13 H ASP 13 -1.314 6.354 0.589
81 HA ASP 13 HA ASP 13 -3.375 7.161 2.461
82 HB2 ASP 13 HB2 ASP 13 -3.896 7.627 0.178
83 HB3 ASP 13 HB1 ASP 13 -3.354 6.046 -0.349
84 H CYS 14 H CYS 14 -1.445 4.520 1.739
85 HA CYS 14 HA CYS 14 -3.244 2.566 2.913
86 HB2 CYS 14 HB2 CYS 14 -0.477 2.260 1.747
87 HB3 CYS 14 HB1 CYS 14 -1.557 0.963 2.263
88 H CYS 15 H CYS 15 -2.817 1.614 4.849
89 HA CYS 15 HA CYS 15 -1.363 3.095 6.791
90 HB2 CYS 15 HB2 CYS 15 -2.474 0.301 6.981
91 HB3 CYS 15 HB1 CYS 15 -2.064 1.359 8.326
92 H GLY 16 H GLY 16 0.210 1.937 8.300
93 HA2 GLY 16 HA2 GLY 16 2.205 0.934 8.708
94 HA3 GLY 16 HA1 GLY 16 1.677 -0.320 7.598
95 H SER 17 H SER 17 3.292 -0.678 6.266
96 HA SER 17 HA SER 17 4.542 1.631 5.001
97 HB2 SER 17 HB2 SER 17 6.534 0.124 4.756
98 HB3 SER 17 HB1 SER 17 6.153 0.565 6.419
99 HG SER 17 HG SER 17 5.529 -1.412 6.844
100 H LEU 18 H LEU 18 2.135 0.248 4.273
101 HA LEU 18 HA LEU 18 2.625 -1.482 2.052
102 HB2 LEU 18 HB2 LEU 18 0.177 0.064 2.852
103 HB3 LEU 18 HB1 LEU 18 0.224 -1.211 1.650
104 HG LEU 18 HG LEU 18 0.764 -1.559 4.597
105 HD11 LEU 18 HD11 LEU 18 -1.626 -2.298 2.927
106 HD12 LEU 18 HD12 LEU 18 -1.562 -1.016 4.137
107 HD13 LEU 18 HD13 LEU 18 -1.389 -2.703 4.626
108 HD21 LEU 18 HD21 LEU 18 0.654 -3.938 4.091
109 HD22 LEU 18 HD22 LEU 18 1.975 -3.164 3.215
110 HD23 LEU 18 HD23 LEU 18 0.480 -3.576 2.376
111 H CYS 19 H CYS 19 2.098 -0.958 -0.132
112 HA CYS 19 HA CYS 19 2.415 1.865 -0.774
113 HB2 CYS 19 HB2 CYS 19 3.622 -0.533 -2.165
114 HB3 CYS 19 HB1 CYS 19 3.778 1.146 -2.679
115 H CYS 20 H CYS 20 1.674 2.244 -3.065
116 HA CYS 20 HA CYS 20 -0.925 0.971 -3.303
117 HB2 CYS 20 HB2 CYS 20 -0.646 3.463 -3.318
118 HB3 CYS 20 HB1 CYS 20 0.225 3.305 -4.836
119 H VAL 21 H VAL 21 -1.100 -0.722 -4.558
120 HA VAL 21 HA VAL 21 0.121 -0.732 -7.194
121 HB VAL 21 HB VAL 21 1.641 -2.001 -5.679
122 HG11 VAL 21 HG11 VAL 21 -0.674 -3.827 -5.151
123 HG12 VAL 21 HG12 VAL 21 0.145 -2.772 -4.001
124 HG13 VAL 21 3HG1 VAL 21 1.002 -4.147 -4.700
125 HG21 VAL 21 HG21 VAL 21 0.240 -3.762 -7.693
126 HG22 VAL 21 HG22 VAL 21 1.818 -4.097 -6.981
127 HG23 VAL 21 HG23 VAL 21 1.596 -2.677 -8.004
128 H GLY 22 H GLY 22 -2.359 0.016 -6.635
129 HA2 GLY 22 HA2 GLY 22 -4.458 -0.457 -7.598
130 HA3 GLY 22 HA1 GLY 22 -4.053 -2.181 -7.562
131 H ILE 23 H ILE 23 -3.315 -2.773 -5.276
132 HA ILE 23 HA ILE 23 -5.301 -1.848 -3.344
133 HB ILE 23 HB ILE 23 -5.055 -4.046 -2.235
134 HG12 ILE 23 HG12 ILE 23 -3.396 -4.820 -4.652
135 HG13 ILE 23 HG11 ILE 23 -2.751 -4.535 -3.043
136 HG21 ILE 23 HG21 ILE 23 -6.281 -5.402 -3.875
137 HG22 ILE 23 HG22 ILE 23 -5.833 -4.260 -5.141
138 HG23 ILE 23 HG23 ILE 23 -6.875 -3.741 -3.816
139 HD11 ILE 23 HD11 ILE 23 -4.011 -6.446 -2.199
140 HD12 ILE 23 HD12 ILE 23 -2.963 -6.913 -3.537
141 HD13 ILE 23 HD13 ILE 23 -4.695 -6.707 -3.802
142 H CYS 24 H CYS 24 -4.486 -1.911 -1.140
143 HA CYS 24 HA CYS 24 -1.831 -0.890 -0.969
144 HB2 CYS 24 HB2 CYS 24 -3.868 -1.569 1.150
145 HB3 CYS 24 HB1 CYS 24 -2.319 -0.795 1.472
146 H ALA 25 H ALA 25 -0.191 -2.159 -1.120
147 HA ALA 25 HA ALA 25 0.038 -4.506 0.545
148 HB1 ALA 25 HB1 ALA 25 0.221 -4.627 -2.464
149 HB2 ALA 25 HB2 ALA 25 -0.984 -5.434 -1.454
150 HB3 ALA 25 HB3 ALA 25 0.717 -5.904 -1.358
151 H LYS 26 H LYS 26 2.275 -5.201 0.588
152 HA LYS 26 HA LYS 26 4.027 -2.958 0.178
153 HB2 LYS 26 HB2 LYS 26 4.230 -4.153 2.266
154 HB3 LYS 26 HB1 LYS 26 4.508 -5.667 1.417
155 HG2 LYS 26 HG2 LYS 26 6.621 -4.819 0.548
156 HG3 LYS 26 HG1 LYS 26 6.331 -3.277 1.347
157 HD2 LYS 26 HD2 LYS 26 6.540 -5.903 2.809
158 HD3 LYS 26 HD1 LYS 26 7.900 -4.813 2.549
159 HE2 LYS 26 HE2 LYS 26 5.349 -4.115 4.007
160 HE3 LYS 26 HE1 LYS 26 6.891 -4.509 4.757
161 HZ1 LYS 26 HZ1 LYS 26 7.870 -2.579 3.667
162 HZ2 LYS 26 HZ2 LYS 26 6.586 -2.157 4.664
163 HZ3 LYS 26 HZ3 LYS 26 6.375 -2.158 3.004
164 H THR 27 H THR 27 4.855 -2.658 -1.754
165 HA THR 27 HA THR 27 5.173 -4.682 -3.701
166 HB THR 27 HB THR 27 6.364 -2.693 -4.836
167 HG1 THR 27 HG1 THR 27 6.385 -0.813 -3.745
168 HG21 THR 27 HG21 THR 27 4.227 -1.541 -5.260
169 HG22 THR 27 HG22 THR 27 3.511 -2.361 -3.872
170 HG23 THR 27 HG23 THR 27 4.010 -3.291 -5.285
171 H ILE 28 H ILE 28 7.555 -4.440 -4.860
172 HA ILE 28 HA ILE 28 9.359 -5.618 -2.965
173 HB ILE 28 HB ILE 28 9.919 -4.808 -5.848
174 HG12 ILE 28 HG12 ILE 28 8.999 -7.486 -4.765
175 HG13 ILE 28 HG11 ILE 28 7.989 -6.360 -5.661
176 HG21 ILE 28 HG21 ILE 28 11.935 -5.215 -4.512
177 HG22 ILE 28 HG22 ILE 28 11.714 -6.476 -5.725
178 HG23 ILE 28 HG23 ILE 28 11.306 -6.794 -4.040
179 HD11 ILE 28 HD11 ILE 28 10.438 -7.764 -6.713
180 HD12 ILE 28 HD12 ILE 28 9.426 -6.639 -7.619
181 HD13 ILE 28 HD13 ILE 28 8.761 -8.179 -7.073
182 H ALA 29 H ALA 29 9.136 -2.629 -4.787
183 HA ALA 29 HA ALA 29 11.489 -1.532 -3.499
184 HB1 ALA 29 HB1 ALA 29 11.142 -1.101 -5.884
185 HB2 ALA 29 HB2 ALA 29 11.100 0.404 -4.966
186 HB3 ALA 29 HB3 ALA 29 9.598 -0.328 -5.526
187 HA PRO 30 HA PRO 30 8.842 0.125 -0.235
188 HB2 PRO 30 HB2 PRO 30 11.190 1.787 0.409
189 HB3 PRO 30 HB1 PRO 30 10.338 0.609 1.413
190 HG2 PRO 30 HG2 PRO 30 12.778 0.105 0.428
191 HG3 PRO 30 HG1 PRO 30 11.558 -1.169 0.603
192 HD2 PRO 30 HD2 PRO 30 12.418 0.306 -1.853
193 HD3 PRO 30 HD1 PRO 30 12.027 -1.415 -1.627
194 H CYS 31 H CYS 31 7.432 1.698 -0.474
195 HA CYS 31 HA CYS 31 7.991 3.937 -2.226
196 HB2 CYS 31 HB2 CYS 31 5.560 4.392 -1.842
197 HB3 CYS 31 HB1 CYS 31 5.901 2.801 -2.525
198 H LYS 32 H LYS 32 7.815 3.194 1.128
199 HA LYS 32 HA LYS 32 7.825 6.041 1.793
200 HB2 LYS 32 HB2 LYS 32 7.199 3.684 3.594
201 HB3 LYS 32 HB1 LYS 32 7.073 5.383 4.022
202 HG2 LYS 32 HG2 LYS 32 5.291 5.652 2.339
203 HG3 LYS 32 HG1 LYS 32 5.393 3.929 1.985
204 HD2 LYS 32 HD2 LYS 32 4.861 3.479 4.376
205 HD3 LYS 32 HD1 LYS 32 4.610 5.208 4.600
206 HE2 LYS 32 HE2 LYS 32 2.863 5.151 2.858
207 HE3 LYS 32 HE1 LYS 32 3.078 3.408 2.725
208 HZ1 LYS 32 HZ1 LYS 32 2.133 4.897 5.107
209 HZ2 LYS 32 HZ2 LYS 32 2.479 3.282 5.140
210 HZ3 LYS 32 HZ3 LYS 32 1.209 3.851 4.175