Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608518 | 5kwo RC | 30140 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 1HT CYS 1 -6.014 9.518 3.213
2 H2 CYS 1 2HT CYS 1 -5.190 9.871 1.788
3 H3 CYS 1 3HT CYS 1 -4.518 10.303 3.263
4 HA CYS 1 HA CYS 1 -3.460 8.388 2.311
5 HB2 CYS 1 2HB CYS 1 -5.124 7.773 4.763
6 HB3 CYS 1 1HB CYS 1 -3.666 6.913 4.278
7 H GLN 2 H GLN 2 -3.614 6.461 1.274
8 HA GLN 2 HA GLN 2 -6.309 5.625 0.476
9 HB2 GLN 2 2HB GLN 2 -3.631 4.785 -0.698
10 HB3 GLN 2 1HB GLN 2 -5.198 4.357 -1.327
11 HG2 GLN 2 2HG GLN 2 -4.053 7.138 -1.211
12 HG3 GLN 2 1HG GLN 2 -4.205 6.128 -2.645
13 HE21 GLN 2 1HE2 GLN 2 -6.245 5.845 -3.575
14 HE22 GLN 2 2HE2 GLN 2 -7.584 6.843 -3.160
15 H THR 3 H THR 3 -6.454 3.102 0.171
16 HA THR 3 HA THR 3 -4.991 1.739 2.281
17 HB THR 3 HB THR 3 -8.014 1.738 2.024
18 HG1 THR 3 1HG THR 3 -6.254 3.228 3.347
19 HG21 THR 3 1HG2 THR 3 -6.221 0.265 3.983
20 HG22 THR 3 2HG2 THR 3 -7.151 -0.485 2.687
21 HG23 THR 3 3HG2 THR 3 -7.984 0.298 4.030
22 H TRP 4 H TRP 4 -4.274 -0.165 1.617
23 HA TRP 4 HA TRP 4 -5.474 -1.379 -0.792
24 HB2 TRP 4 2HB TRP 4 -2.568 -1.589 0.021
25 HB3 TRP 4 1HB TRP 4 -3.301 -2.085 -1.496
26 HD1 TRP 4 HD TRP 4 -1.735 0.824 0.230
27 HE1 TRP 4 1HE TRP 4 -1.621 2.822 -1.383
28 HE3 TRP 4 3HE TRP 4 -4.674 -0.974 -3.519
29 HZ2 TRP 4 2HZ TRP 4 -2.602 3.543 -3.827
30 HZ3 TRP 4 3HZ TRP 4 -5.049 0.446 -5.500
31 HH2 TRP 4 HH TRP 4 -4.033 2.674 -5.658
32 H ARG 5 H ARG 5 -6.015 -3.488 -0.499
33 HA ARG 5 HA ARG 5 -4.981 -4.808 1.897
34 HB2 ARG 5 2HB ARG 5 -7.861 -4.695 1.018
35 HB3 ARG 5 1HB ARG 5 -7.246 -5.742 2.284
36 HG2 ARG 5 2HG ARG 5 -6.781 -3.939 3.707
37 HG3 ARG 5 1HG ARG 5 -6.912 -2.767 2.395
38 HD2 ARG 5 2HD ARG 5 -9.170 -4.404 3.540
39 HD3 ARG 5 1HD ARG 5 -8.848 -2.699 3.861
40 HE ARG 5 HE ARG 5 -9.370 -3.670 1.146
41 HH11 ARG 5 1HH1 ARG 5 -10.240 -1.480 3.806
42 HH12 ARG 5 2HH1 ARG 5 -11.316 -0.551 2.865
43 HH21 ARG 5 1HH2 ARG 5 -10.818 -2.375 -0.130
44 HH22 ARG 5 2HH2 ARG 5 -11.644 -1.065 0.572
45 H DAR 6 H DAR 6 -4.616 -6.905 1.733
46 HA DAR 6 HA DAR 6 -5.691 -8.581 -0.254
47 HB2 DAR 6 1HB DAR 6 -4.210 -10.279 0.618
48 HB3 DAR 6 2HB DAR 6 -5.046 -9.443 1.919
49 HG2 DAR 6 1HG DAR 6 -2.996 -8.140 2.362
50 HG3 DAR 6 2HG DAR 6 -2.176 -9.046 1.090
51 HD2 DAR 6 1HD DAR 6 -2.636 -11.131 2.303
52 HD3 DAR 6 2HD DAR 6 -3.405 -10.206 3.583
53 HE DAR 6 HE DAR 6 -0.789 -9.254 3.151
54 HH11 DAR 6 1HH2 DAR 6 0.948 -9.836 4.583
55 HH12 DAR 6 2HH2 DAR 6 0.797 -11.153 5.641
56 HH21 DAR 6 1HH1 DAR 6 -2.508 -12.010 4.583
57 HH22 DAR 6 2HH1 DAR 6 -1.238 -12.436 5.630
58 H VAL 7 H VAL 7 -2.933 -6.605 -0.197
59 HA VAL 7 HA VAL 7 -2.173 -7.620 -2.827
60 HB VAL 7 HB VAL 7 -0.885 -5.510 -3.088
61 HG11 VAL 7 1HG1 VAL 7 -3.761 -5.122 -2.285
62 HG12 VAL 7 2HG1 VAL 7 -3.170 -5.564 -3.888
63 HG13 VAL 7 3HG1 VAL 7 -2.813 -3.971 -3.220
64 HG21 VAL 7 1HG2 VAL 7 -2.073 -4.753 -0.414
65 HG22 VAL 7 2HG2 VAL 7 -1.118 -3.697 -1.458
66 HG23 VAL 7 3HG2 VAL 7 -0.378 -5.118 -0.720
67 H SER 8 H SER 8 0.184 -7.728 -3.263
68 HA SER 8 HA SER 8 1.447 -9.121 -1.122
69 HB2 SER 8 2HB SER 8 2.375 -8.478 -3.925
70 HB3 SER 8 1HB SER 8 3.176 -9.595 -2.814
71 HG SER 8 HG SER 8 1.163 -10.741 -2.741
72 HA PRO 9 HA PRO 9 3.836 -6.046 0.876
73 HB2 PRO 9 2HB PRO 9 6.177 -7.767 0.207
74 HB3 PRO 9 1HB PRO 9 5.734 -7.005 1.740
75 HG2 PRO 9 2HG PRO 9 5.228 -9.563 1.402
76 HG3 PRO 9 1HG PRO 9 4.016 -8.513 2.157
77 HD2 PRO 9 2HD PRO 9 4.084 -9.635 -0.607
78 HD3 PRO 9 1HD PRO 9 2.701 -9.354 0.473
79 H GLU 10 H GLU 10 5.796 -7.205 -1.947
80 HA GLU 10 HA GLU 10 7.027 -4.680 -2.172
81 HB2 GLU 10 2HB GLU 10 6.918 -6.934 -4.150
82 HB3 GLU 10 1HB GLU 10 7.704 -5.411 -4.536
83 HG2 GLU 10 2HG GLU 10 9.410 -6.859 -3.854
84 HG3 GLU 10 1HG GLU 10 9.130 -5.795 -2.483
85 H GLU 11 H GLU 11 4.237 -5.973 -3.843
86 HA GLU 11 HA GLU 11 3.628 -3.906 -5.625
87 HB2 GLU 11 2HB GLU 11 2.414 -6.089 -5.300
88 HB3 GLU 11 1HB GLU 11 1.726 -5.440 -3.831
89 HG2 GLU 11 2HG GLU 11 0.062 -5.305 -5.510
90 HG3 GLU 11 1HG GLU 11 0.644 -3.672 -5.224
91 H CYS 12 H CYS 12 2.763 -4.383 -2.272
92 HA CYS 12 HA CYS 12 1.448 -2.006 -1.720
93 HB2 CYS 12 2HB CYS 12 1.351 -3.968 -0.283
94 HB3 CYS 12 1HB CYS 12 3.061 -3.797 0.089
95 H ARG 13 H ARG 13 4.874 -2.845 -1.435
96 HA ARG 13 HA ARG 13 5.833 -0.479 -0.276
97 HB2 ARG 13 2HB ARG 13 7.184 -2.371 -2.196
98 HB3 ARG 13 1HB ARG 13 8.016 -1.101 -1.316
99 HG2 ARG 13 2HG ARG 13 6.501 -3.345 -0.011
100 HG3 ARG 13 1HG ARG 13 8.235 -3.369 -0.327
101 HD2 ARG 13 2HD ARG 13 8.557 -1.456 1.081
102 HD3 ARG 13 1HD ARG 13 6.822 -1.277 1.313
103 HE ARG 13 HE ARG 13 6.871 -3.414 2.480
104 HH11 ARG 13 1HH1 ARG 13 9.926 -1.632 2.144
105 HH12 ARG 13 2HH1 ARG 13 10.615 -2.281 3.550
106 HH21 ARG 13 1HH2 ARG 13 7.857 -4.305 4.382
107 HH22 ARG 13 2HH2 ARG 13 9.442 -3.857 4.827
108 H LYS 14 H LYS 14 5.349 -1.340 -3.635
109 HA LYS 14 HA LYS 14 6.383 1.024 -4.764
110 HB2 LYS 14 2HB LYS 14 4.219 -0.798 -5.839
111 HB3 LYS 14 1HB LYS 14 5.158 0.356 -6.782
112 HG2 LYS 14 2HG LYS 14 7.193 -0.871 -6.303
113 HG3 LYS 14 1HG LYS 14 6.293 -1.996 -5.295
114 HD2 LYS 14 2HD LYS 14 4.989 -2.669 -7.278
115 HD3 LYS 14 1HD LYS 14 5.988 -1.602 -8.270
116 HE2 LYS 14 2HE LYS 14 6.939 -3.971 -6.658
117 HE3 LYS 14 1HE LYS 14 6.819 -3.882 -8.414
118 HZ1 LYS 14 1HZ LYS 14 8.615 -2.250 -6.704
119 HZ2 LYS 14 2HZ LYS 14 8.504 -2.131 -8.382
120 HZ3 LYS 14 3HZ LYS 14 9.092 -3.530 -7.675
121 H TYR 15 H TYR 15 3.142 0.090 -3.722
122 HA TYR 15 HA TYR 15 1.850 2.496 -4.405
123 HB2 TYR 15 2HB TYR 15 1.189 0.633 -2.123
124 HB3 TYR 15 1HB TYR 15 0.141 1.901 -2.730
125 HD1 TYR 15 1HD TYR 15 0.782 1.314 -5.735
126 HD2 TYR 15 2HD TYR 15 -0.343 -1.124 -2.440
127 HE1 TYR 15 1HE TYR 15 -0.241 -0.278 -7.267
128 HE2 TYR 15 2HE TYR 15 -1.356 -2.727 -3.970
129 HH TYR 15 HH TYR 15 -0.677 -2.810 -7.110
130 H LYS 16 H LYS 16 3.617 1.550 -1.517
131 HA LYS 16 HA LYS 16 3.021 3.780 0.096
132 HB2 LYS 16 2HB LYS 16 5.665 2.329 0.003
133 HB3 LYS 16 1HB LYS 16 5.081 3.337 1.309
134 HG2 LYS 16 2HG LYS 16 3.313 1.713 1.753
135 HG3 LYS 16 1HG LYS 16 3.926 0.707 0.437
136 HD2 LYS 16 2HD LYS 16 6.158 0.748 1.630
137 HD3 LYS 16 1HD LYS 16 5.301 1.441 3.001
138 HE2 LYS 16 2HE LYS 16 4.662 -1.194 1.695
139 HE3 LYS 16 1HE LYS 16 5.566 -0.992 3.191
140 HZ1 LYS 16 1HZ LYS 16 3.294 -1.601 3.476
141 HZ2 LYS 16 2HZ LYS 16 2.750 -0.125 2.812
142 HZ3 LYS 16 3HZ LYS 16 3.634 -0.148 4.252
143 H GLU 17 H GLU 17 5.824 3.184 -1.978
144 HA GLU 17 HA GLU 17 7.000 5.683 -1.559
145 HB2 GLU 17 2HB GLU 17 7.321 3.876 -3.946
146 HB3 GLU 17 1HB GLU 17 8.417 5.167 -3.469
147 HG2 GLU 17 2HG GLU 17 7.857 2.604 -1.997
148 HG3 GLU 17 1HG GLU 17 9.354 3.074 -2.798
149 H GLU 18 H GLU 18 4.693 4.628 -3.978
150 HA GLU 18 HA GLU 18 4.931 7.065 -5.454
151 HB2 GLU 18 2HB GLU 18 4.493 5.023 -6.637
152 HB3 GLU 18 1HB GLU 18 3.029 4.749 -5.713
153 HG2 GLU 18 2HG GLU 18 1.923 6.555 -6.785
154 HG3 GLU 18 1HG GLU 18 3.422 7.100 -7.536
155 H TYR 19 H TYR 19 2.648 5.899 -3.001
156 HA TYR 19 HA TYR 19 1.050 8.308 -3.525
157 HB2 TYR 19 2HB TYR 19 0.242 5.804 -2.082
158 HB3 TYR 19 1HB TYR 19 -0.785 7.207 -2.315
159 HD1 TYR 19 1HD TYR 19 -1.557 7.756 -4.649
160 HD2 TYR 19 2HD TYR 19 0.505 4.174 -3.732
161 HE1 TYR 19 1HE TYR 19 -2.401 6.749 -6.725
162 HE2 TYR 19 2HE TYR 19 -0.314 3.149 -5.796
163 HH TYR 19 HH TYR 19 -1.727 4.931 -8.261
164 H DSG 20 H DAS 20 3.222 7.049 -1.069
165 HA DSG 20 HA DAS 20 2.642 9.303 0.563
166 HB2 DSG 20 1HB DAS 20 4.930 8.498 -0.016
167 HB3 DSG 20 2HB DAS 20 4.591 7.016 0.854
168 HD21 DSG 20 1HD2 DAS 20 6.660 8.844 1.298
169 HD22 DSG 20 2HD2 DAS 20 6.476 9.417 2.905
170 H CYS 21 H CYS 21 0.938 9.102 1.880
171 HA CYS 21 HA CYS 21 1.003 7.089 3.922
172 HB2 CYS 21 2HB CYS 21 0.404 9.381 4.505
173 HB3 CYS 21 1HB CYS 21 -0.993 9.307 3.439
174 H VAL 22 H VAL 22 0.402 5.090 3.326
175 HA VAL 22 HA VAL 22 -2.330 4.809 2.413
176 HB VAL 22 HB VAL 22 -1.789 3.060 0.772
177 HG11 VAL 22 1HG1 VAL 22 -1.920 5.352 -0.021
178 HG12 VAL 22 2HG1 VAL 22 -0.775 4.401 -0.973
179 HG13 VAL 22 3HG1 VAL 22 -0.191 5.533 0.239
180 HG21 VAL 22 1HG2 VAL 22 1.120 3.663 1.327
181 HG22 VAL 22 2HG2 VAL 22 0.494 2.647 0.025
182 HG23 VAL 22 3HG2 VAL 22 0.274 2.153 1.709
183 H ARG 23 H ARG 23 -3.413 3.267 3.416
184 HA ARG 23 HA ARG 23 -2.089 1.870 5.575
185 HB2 ARG 23 2HB ARG 23 -4.253 2.975 5.958
186 HB3 ARG 23 1HB ARG 23 -4.997 1.955 4.738
187 HG2 ARG 23 2HG ARG 23 -4.603 -0.003 6.096
188 HG3 ARG 23 1HG ARG 23 -3.765 0.973 7.303
189 HD2 ARG 23 2HD ARG 23 -6.663 1.198 6.502
190 HD3 ARG 23 1HD ARG 23 -6.050 0.519 8.010
191 HE ARG 23 HE ARG 23 -5.835 3.342 7.208
192 HH11 ARG 23 1HH1 ARG 23 -5.962 0.904 9.793
193 HH12 ARG 23 2HH1 ARG 23 -6.119 2.069 11.032
194 HH21 ARG 23 1HH2 ARG 23 -6.075 4.881 8.914
195 HH22 ARG 23 2HH2 ARG 23 -6.185 4.342 10.535
196 H CYS 24 H CYS 24 -1.153 -0.010 5.177
197 HA CYS 24 HA CYS 24 -2.471 -1.946 3.486
198 HB2 CYS 24 2HB CYS 24 -1.261 -0.588 1.917
199 HB3 CYS 24 1HB CYS 24 0.200 -0.706 2.879
200 H THR 25 H THR 25 -1.694 -4.089 3.873
201 HA THR 25 HA THR 25 0.022 -4.327 6.227
202 HB THR 25 HB THR 25 -2.048 -6.271 5.177
203 HG1 THR 25 1HG THR 25 -2.701 -4.141 6.085
204 HG21 THR 25 1HG2 THR 25 -0.263 -7.331 6.511
205 HG22 THR 25 2HG2 THR 25 -1.799 -7.347 7.380
206 HG23 THR 25 3HG2 THR 25 -0.554 -6.176 7.811
207 H GLU 26 H GLU 26 1.873 -5.452 6.003
208 HA GLU 26 HA GLU 26 2.729 -6.386 3.403
209 HB2 GLU 26 2HB GLU 26 4.139 -6.707 6.047
210 HB3 GLU 26 1HB GLU 26 4.848 -6.714 4.446
211 HG2 GLU 26 2HG GLU 26 3.656 -4.338 5.845
212 HG3 GLU 26 1HG GLU 26 5.369 -4.708 5.730
Start of MODEL 2
1 H1 CYS 1 1HT CYS 1 -4.663 9.890 1.792
2 H2 CYS 1 2HT CYS 1 -6.217 9.228 1.913
3 H3 CYS 1 3HT CYS 1 -5.267 8.911 0.560
4 HA CYS 1 HA CYS 1 -3.704 7.719 1.857
5 HB2 CYS 1 2HB CYS 1 -5.613 8.176 4.166
6 HB3 CYS 1 1HB CYS 1 -4.131 7.241 4.207
7 H GLN 2 H GLN 2 -4.248 6.102 0.523
8 HA GLN 2 HA GLN 2 -6.870 4.892 0.685
9 HB2 GLN 2 2HB GLN 2 -4.505 4.115 -1.060
10 HB3 GLN 2 1HB GLN 2 -6.130 3.470 -1.196
11 HG2 GLN 2 2HG GLN 2 -6.012 5.017 -2.930
12 HG3 GLN 2 1HG GLN 2 -6.840 5.904 -1.657
13 HE21 GLN 2 1HE2 GLN 2 -3.999 5.652 -3.582
14 HE22 GLN 2 2HE2 GLN 2 -3.282 7.140 -3.096
15 H THR 3 H THR 3 -7.060 2.505 0.925
16 HA THR 3 HA THR 3 -4.993 1.442 2.701
17 HB THR 3 HB THR 3 -7.982 0.974 2.873
18 HG1 THR 3 1HG THR 3 -7.460 3.023 3.587
19 HG21 THR 3 1HG2 THR 3 -6.673 -0.958 3.652
20 HG22 THR 3 2HG2 THR 3 -7.470 -0.159 5.007
21 HG23 THR 3 3HG2 THR 3 -5.749 0.087 4.730
22 H TRP 4 H TRP 4 -4.006 -0.120 1.725
23 HA TRP 4 HA TRP 4 -5.305 -1.652 -0.404
24 HB2 TRP 4 2HB TRP 4 -2.386 -1.591 0.383
25 HB3 TRP 4 1HB TRP 4 -3.077 -2.203 -1.111
26 HD1 TRP 4 HD TRP 4 -1.763 0.916 0.488
27 HE1 TRP 4 1HE TRP 4 -1.875 2.867 -1.188
28 HE3 TRP 4 3HE TRP 4 -4.617 -1.274 -3.118
29 HZ2 TRP 4 2HZ TRP 4 -3.015 3.409 -3.680
30 HZ3 TRP 4 3HZ TRP 4 -5.184 0.041 -5.131
31 HH2 TRP 4 HH TRP 4 -4.397 2.331 -5.397
32 H ARG 5 H ARG 5 -6.183 -3.510 0.282
33 HA ARG 5 HA ARG 5 -4.948 -4.882 2.574
34 HB2 ARG 5 2HB ARG 5 -7.783 -5.015 1.566
35 HB3 ARG 5 1HB ARG 5 -7.144 -5.917 2.929
36 HG2 ARG 5 2HG ARG 5 -6.731 -3.837 4.126
37 HG3 ARG 5 1HG ARG 5 -7.344 -2.922 2.745
38 HD2 ARG 5 2HD ARG 5 -9.062 -3.145 4.423
39 HD3 ARG 5 1HD ARG 5 -9.504 -4.036 2.976
40 HE ARG 5 HE ARG 5 -8.423 -5.261 5.417
41 HH11 ARG 5 1HH1 ARG 5 -10.498 -5.445 2.553
42 HH12 ARG 5 2HH1 ARG 5 -11.218 -6.917 2.964
43 HH21 ARG 5 1HH2 ARG 5 -9.467 -7.293 6.037
44 HH22 ARG 5 2HH2 ARG 5 -10.653 -7.969 5.016
45 H DAR 6 H DAR 6 -4.083 -6.759 2.225
46 HA DAR 6 HA DAR 6 -5.071 -8.871 0.660
47 HB2 DAR 6 1HB DAR 6 -3.461 -9.202 2.473
48 HB3 DAR 6 2HB DAR 6 -2.249 -8.282 1.597
49 HG2 DAR 6 1HG DAR 6 -2.414 -10.047 -0.214
50 HG3 DAR 6 2HG DAR 6 -3.326 -11.014 0.947
51 HD2 DAR 6 1HD DAR 6 -0.984 -11.638 1.004
52 HD3 DAR 6 2HD DAR 6 -1.445 -10.867 2.523
53 HE DAR 6 HE DAR 6 -0.374 -9.049 0.582
54 HH11 DAR 6 1HH2 DAR 6 1.590 -7.922 1.161
55 HH12 DAR 6 2HH2 DAR 6 2.604 -8.577 2.389
56 HH21 DAR 6 1HH1 DAR 6 0.639 -11.428 2.995
57 HH22 DAR 6 2HH1 DAR 6 2.066 -10.597 3.418
58 H VAL 7 H VAL 7 -2.418 -6.656 0.081
59 HA VAL 7 HA VAL 7 -2.570 -7.266 -2.761
60 HB VAL 7 HB VAL 7 -1.345 -5.138 -3.125
61 HG11 VAL 7 1HG1 VAL 7 -3.839 -4.783 -1.460
62 HG12 VAL 7 2HG1 VAL 7 -3.797 -5.174 -3.174
63 HG13 VAL 7 3HG1 VAL 7 -3.187 -3.619 -2.617
64 HG21 VAL 7 1HG2 VAL 7 -0.159 -5.026 -0.997
65 HG22 VAL 7 2HG2 VAL 7 -1.681 -4.758 -0.149
66 HG23 VAL 7 3HG2 VAL 7 -1.073 -3.544 -1.274
67 H SER 8 H SER 8 -0.458 -7.353 -3.857
68 HA SER 8 HA SER 8 1.223 -9.217 -2.646
69 HB2 SER 8 2HB SER 8 1.836 -7.442 -5.015
70 HB3 SER 8 1HB SER 8 2.496 -9.043 -4.669
71 HG SER 8 HG SER 8 0.872 -9.181 -6.188
72 HA PRO 9 HA PRO 9 3.903 -6.809 0.029
73 HB2 PRO 9 2HB PRO 9 6.000 -8.551 -1.196
74 HB3 PRO 9 1HB PRO 9 5.724 -8.153 0.506
75 HG2 PRO 9 2HG PRO 9 4.924 -10.487 -0.417
76 HG3 PRO 9 1HG PRO 9 3.880 -9.558 0.673
77 HD2 PRO 9 2HD PRO 9 3.654 -9.960 -2.273
78 HD3 PRO 9 1HD PRO 9 2.380 -9.831 -1.040
79 H GLU 10 H GLU 10 5.372 -7.503 -3.184
80 HA GLU 10 HA GLU 10 7.060 -5.238 -3.047
81 HB2 GLU 10 2HB GLU 10 7.492 -7.222 -4.508
82 HB3 GLU 10 1HB GLU 10 6.166 -6.706 -5.533
83 HG2 GLU 10 2HG GLU 10 7.333 -4.755 -6.206
84 HG3 GLU 10 1HG GLU 10 8.587 -5.015 -4.995
85 H GLU 11 H GLU 11 3.978 -5.799 -4.674
86 HA GLU 11 HA GLU 11 3.444 -3.289 -5.716
87 HB2 GLU 11 2HB GLU 11 1.675 -5.363 -4.448
88 HB3 GLU 11 1HB GLU 11 1.019 -3.869 -5.089
89 HG2 GLU 11 2HG GLU 11 2.696 -5.713 -6.741
90 HG3 GLU 11 1HG GLU 11 0.944 -5.892 -6.593
91 H CYS 12 H CYS 12 2.896 -4.522 -2.478
92 HA CYS 12 HA CYS 12 1.642 -2.359 -1.315
93 HB2 CYS 12 2HB CYS 12 1.895 -4.612 -0.283
94 HB3 CYS 12 1HB CYS 12 3.580 -4.234 0.044
95 H ARG 13 H ARG 13 5.168 -3.052 -1.436
96 HA ARG 13 HA ARG 13 5.842 -0.646 -0.137
97 HB2 ARG 13 2HB ARG 13 7.551 -2.363 -0.331
98 HB3 ARG 13 1HB ARG 13 7.534 -2.223 -2.093
99 HG2 ARG 13 2HG ARG 13 8.282 0.101 -1.900
100 HG3 ARG 13 1HG ARG 13 8.324 -0.064 -0.153
101 HD2 ARG 13 2HD ARG 13 10.100 -1.663 -0.300
102 HD3 ARG 13 1HD ARG 13 9.972 -1.698 -2.065
103 HE ARG 13 HE ARG 13 10.351 0.899 -1.561
104 HH11 ARG 13 1HH1 ARG 13 12.265 -1.952 -0.604
105 HH12 ARG 13 2HH1 ARG 13 13.695 -1.046 -0.446
106 HH21 ARG 13 1HH2 ARG 13 12.269 2.033 -1.407
107 HH22 ARG 13 2HH2 ARG 13 13.730 1.246 -0.933
108 H LYS 14 H LYS 14 5.398 -1.407 -3.553
109 HA LYS 14 HA LYS 14 6.226 1.031 -4.635
110 HB2 LYS 14 2HB LYS 14 3.970 -0.729 -5.621
111 HB3 LYS 14 1HB LYS 14 4.776 0.527 -6.549
112 HG2 LYS 14 2HG LYS 14 6.884 -0.750 -6.404
113 HG3 LYS 14 1HG LYS 14 6.035 -2.000 -5.507
114 HD2 LYS 14 2HD LYS 14 6.235 -2.654 -7.834
115 HD3 LYS 14 1HD LYS 14 4.548 -2.356 -7.435
116 HE2 LYS 14 2HE LYS 14 5.163 -1.420 -9.621
117 HE3 LYS 14 1HE LYS 14 4.639 -0.173 -8.497
118 HZ1 LYS 14 1HZ LYS 14 6.610 0.493 -9.745
119 HZ2 LYS 14 2HZ LYS 14 7.482 -0.812 -9.134
120 HZ3 LYS 14 3HZ LYS 14 6.958 0.400 -8.110
121 H TYR 15 H TYR 15 3.100 0.078 -3.324
122 HA TYR 15 HA TYR 15 1.765 2.486 -3.930
123 HB2 TYR 15 2HB TYR 15 1.167 0.586 -1.648
124 HB3 TYR 15 1HB TYR 15 0.074 1.795 -2.297
125 HD1 TYR 15 1HD TYR 15 0.682 1.174 -5.297
126 HD2 TYR 15 2HD TYR 15 -0.220 -1.295 -1.950
127 HE1 TYR 15 1HE TYR 15 -0.251 -0.518 -6.796
128 HE2 TYR 15 2HE TYR 15 -1.141 -2.993 -3.453
129 HH TYR 15 HH TYR 15 -0.614 -2.993 -6.755
130 H LYS 16 H LYS 16 3.423 1.383 -0.995
131 HA LYS 16 HA LYS 16 2.889 3.650 0.608
132 HB2 LYS 16 2HB LYS 16 5.264 1.791 0.741
133 HB3 LYS 16 1HB LYS 16 4.801 2.934 1.981
134 HG2 LYS 16 2HG LYS 16 2.726 1.667 2.349
135 HG3 LYS 16 1HG LYS 16 3.235 0.509 1.111
136 HD2 LYS 16 2HD LYS 16 5.283 0.063 2.401
137 HD3 LYS 16 1HD LYS 16 4.719 1.158 3.660
138 HE2 LYS 16 2HE LYS 16 2.759 -0.322 3.988
139 HE3 LYS 16 1HE LYS 16 3.419 -1.418 2.779
140 HZ1 LYS 16 1HZ LYS 16 4.016 -2.218 4.948
141 HZ2 LYS 16 2HZ LYS 16 4.643 -0.734 5.401
142 HZ3 LYS 16 3HZ LYS 16 5.405 -1.646 4.200
143 H GLU 17 H GLU 17 5.547 2.877 -1.541
144 HA GLU 17 HA GLU 17 7.064 5.157 -0.756
145 HB2 GLU 17 2HB GLU 17 8.070 2.984 -1.351
146 HB3 GLU 17 1HB GLU 17 7.516 3.190 -2.999
147 HG2 GLU 17 2HG GLU 17 9.023 4.980 -3.364
148 HG3 GLU 17 1HG GLU 17 9.413 5.085 -1.647
149 H GLU 18 H GLU 18 4.878 4.427 -3.429
150 HA GLU 18 HA GLU 18 5.663 6.832 -4.820
151 HB2 GLU 18 2HB GLU 18 5.015 4.805 -6.065
152 HB3 GLU 18 1HB GLU 18 3.399 4.919 -5.394
153 HG2 GLU 18 2HG GLU 18 3.436 5.739 -7.671
154 HG3 GLU 18 1HG GLU 18 3.070 7.051 -6.552
155 H TYR 19 H TYR 19 2.654 5.718 -3.192
156 HA TYR 19 HA TYR 19 1.384 8.227 -3.733
157 HB2 TYR 19 2HB TYR 19 0.470 5.968 -1.968
158 HB3 TYR 19 1HB TYR 19 -0.499 7.368 -2.399
159 HD1 TYR 19 1HD TYR 19 0.332 4.056 -3.236
160 HD2 TYR 19 2HD TYR 19 -0.834 7.749 -4.969
161 HE1 TYR 19 1HE TYR 19 -0.453 2.863 -5.232
162 HE2 TYR 19 2HE TYR 19 -1.619 6.577 -6.962
163 HH TYR 19 HH TYR 19 -1.177 4.426 -8.117
164 H DSG 20 H DAS 20 2.884 6.839 -0.861
165 HA DSG 20 HA DAS 20 2.501 9.479 0.355
166 HB2 DSG 20 1HB DAS 20 4.653 7.434 0.869
167 HB3 DSG 20 2HB DAS 20 4.436 8.882 1.844
168 HD21 DSG 20 1HD2 DAS 20 6.723 8.092 0.289
169 HD22 DSG 20 2HD2 DAS 20 7.002 9.357 -0.850
170 H CYS 21 H CYS 21 0.786 9.435 1.566
171 HA CYS 21 HA CYS 21 0.705 7.716 3.851
172 HB2 CYS 21 2HB CYS 21 -0.002 10.043 4.076
173 HB3 CYS 21 1HB CYS 21 -1.242 9.806 2.855
174 H VAL 22 H VAL 22 0.359 5.639 3.145
175 HA VAL 22 HA VAL 22 -2.388 5.120 2.422
176 HB VAL 22 HB VAL 22 -1.718 3.281 0.835
177 HG11 VAL 22 1HG1 VAL 22 -1.262 4.687 -1.101
178 HG12 VAL 22 2HG1 VAL 22 -0.904 6.038 -0.025
179 HG13 VAL 22 3HG1 VAL 22 -2.533 5.358 -0.076
180 HG21 VAL 22 1HG2 VAL 22 0.982 4.602 0.955
181 HG22 VAL 22 2HG2 VAL 22 0.505 3.342 -0.186
182 HG23 VAL 22 3HG2 VAL 22 0.588 2.986 1.542
183 H ARG 23 H ARG 23 -3.168 3.311 3.271
184 HA ARG 23 HA ARG 23 -1.520 2.012 5.288
185 HB2 ARG 23 2HB ARG 23 -4.450 1.655 4.629
186 HB3 ARG 23 1HB ARG 23 -3.626 1.036 6.049
187 HG2 ARG 23 2HG ARG 23 -3.258 3.338 6.797
188 HG3 ARG 23 1HG ARG 23 -4.144 3.919 5.382
189 HD2 ARG 23 2HD ARG 23 -5.641 3.875 7.251
190 HD3 ARG 23 1HD ARG 23 -6.093 2.591 6.134
191 HE ARG 23 HE ARG 23 -4.318 1.850 8.299
192 HH11 ARG 23 1HH1 ARG 23 -7.647 1.858 7.081
193 HH12 ARG 23 2HH1 ARG 23 -8.184 0.693 8.205
194 HH21 ARG 23 1HH2 ARG 23 -5.071 0.342 9.833
195 HH22 ARG 23 2HH2 ARG 23 -6.711 -0.155 9.842
196 H CYS 24 H CYS 24 -0.938 -0.109 4.985
197 HA CYS 24 HA CYS 24 -2.050 -1.531 2.739
198 HB2 CYS 24 2HB CYS 24 -0.195 -0.150 1.801
199 HB3 CYS 24 1HB CYS 24 0.910 -0.957 2.906
200 H THR 25 H THR 25 -2.141 -3.622 3.191
201 HA THR 25 HA THR 25 -1.340 -4.459 5.772
202 HB THR 25 HB THR 25 -2.311 -6.652 5.033
203 HG1 THR 25 1HG THR 25 -1.729 -6.128 2.833
204 HG21 THR 25 1HG2 THR 25 -4.627 -5.800 4.882
205 HG22 THR 25 2HG2 THR 25 -4.003 -4.185 4.542
206 HG23 THR 25 3HG2 THR 25 -3.709 -4.931 6.111
207 H GLU 26 H GLU 26 0.875 -4.313 5.772
208 HA GLU 26 HA GLU 26 2.363 -6.568 5.557
209 HB2 GLU 26 2HB GLU 26 2.221 -6.234 3.046
210 HB3 GLU 26 1HB GLU 26 2.956 -4.657 3.245
211 HG2 GLU 26 2HG GLU 26 4.533 -6.360 2.427
212 HG3 GLU 26 1HG GLU 26 5.024 -5.663 3.966
Start of MODEL 3
1 H1 CYS 1 1HT CYS 1 -6.834 8.304 3.212
2 H2 CYS 1 2HT CYS 1 -5.671 9.022 4.221
3 H3 CYS 1 3HT CYS 1 -6.290 7.478 4.561
4 HA CYS 1 HA CYS 1 -4.738 8.109 2.176
5 HB2 CYS 1 2HB CYS 1 -3.955 6.641 4.713
6 HB3 CYS 1 1HB CYS 1 -2.949 6.842 3.286
7 H GLN 2 H GLN 2 -4.502 6.268 0.778
8 HA GLN 2 HA GLN 2 -6.660 4.458 0.923
9 HB2 GLN 2 2HB GLN 2 -4.202 4.314 -0.847
10 HB3 GLN 2 1HB GLN 2 -5.534 3.182 -0.940
11 HG2 GLN 2 2HG GLN 2 -5.871 4.716 -2.684
12 HG3 GLN 2 1HG GLN 2 -7.021 5.167 -1.432
13 HE21 GLN 2 1HE2 GLN 2 -4.161 6.039 -3.130
14 HE22 GLN 2 2HE2 GLN 2 -4.070 7.664 -2.568
15 H THR 3 H THR 3 -6.867 2.495 1.630
16 HA THR 3 HA THR 3 -4.606 1.347 3.060
17 HB THR 3 HB THR 3 -7.556 0.752 3.432
18 HG1 THR 3 1HG THR 3 -6.946 2.963 3.834
19 HG21 THR 3 1HG2 THR 3 -5.138 0.303 5.206
20 HG22 THR 3 2HG2 THR 3 -5.987 -0.949 4.298
21 HG23 THR 3 3HG2 THR 3 -6.804 -0.104 5.614
22 H TRP 4 H TRP 4 -3.706 -0.176 1.948
23 HA TRP 4 HA TRP 4 -5.095 -1.489 -0.246
24 HB2 TRP 4 2HB TRP 4 -2.188 -1.514 0.556
25 HB3 TRP 4 1HB TRP 4 -2.860 -2.228 -0.905
26 HD1 TRP 4 HD TRP 4 -1.926 1.122 0.635
27 HE1 TRP 4 1HE TRP 4 -1.966 2.918 -1.217
28 HE3 TRP 4 3HE TRP 4 -3.970 -1.637 -3.137
29 HZ2 TRP 4 2HZ TRP 4 -2.750 3.130 -3.906
30 HZ3 TRP 4 3HZ TRP 4 -4.320 -0.563 -5.321
31 HH2 TRP 4 HH TRP 4 -3.718 1.775 -5.685
32 H ARG 5 H ARG 5 -6.026 -3.356 0.139
33 HA ARG 5 HA ARG 5 -4.866 -5.072 2.201
34 HB2 ARG 5 2HB ARG 5 -7.708 -4.925 1.212
35 HB3 ARG 5 1HB ARG 5 -7.117 -6.181 2.289
36 HG2 ARG 5 2HG ARG 5 -6.452 -4.375 3.889
37 HG3 ARG 5 1HG ARG 5 -7.271 -3.230 2.830
38 HD2 ARG 5 2HD ARG 5 -9.364 -4.377 3.151
39 HD3 ARG 5 1HD ARG 5 -8.557 -5.632 4.096
40 HE ARG 5 HE ARG 5 -8.187 -2.990 5.107
41 HH11 ARG 5 1HH1 ARG 5 -10.306 -5.811 5.158
42 HH12 ARG 5 2HH1 ARG 5 -10.992 -5.446 6.677
43 HH21 ARG 5 1HH2 ARG 5 -9.081 -2.513 7.227
44 HH22 ARG 5 2HH2 ARG 5 -10.291 -3.520 7.875
45 H DAR 6 H DAR 6 -4.536 -7.182 1.841
46 HA DAR 6 HA DAR 6 -5.230 -8.565 -0.494
47 HB2 DAR 6 1HB DAR 6 -3.623 -10.301 0.253
48 HB3 DAR 6 2HB DAR 6 -4.805 -9.823 1.458
49 HG2 DAR 6 1HG DAR 6 -3.138 -8.511 2.644
50 HG3 DAR 6 2HG DAR 6 -1.937 -8.907 1.411
51 HD2 DAR 6 1HD DAR 6 -2.070 -11.247 1.957
52 HD3 DAR 6 2HD DAR 6 -3.424 -10.947 3.036
53 HE DAR 6 HE DAR 6 -1.795 -9.636 4.410
54 HH11 DAR 6 1HH2 DAR 6 -0.368 -10.479 5.975
55 HH12 DAR 6 2HH2 DAR 6 0.658 -11.816 5.637
56 HH21 DAR 6 1HH1 DAR 6 -0.565 -12.178 2.323
57 HH22 DAR 6 2HH1 DAR 6 0.530 -12.797 3.468
58 H VAL 7 H VAL 7 -2.464 -6.624 0.195
59 HA VAL 7 HA VAL 7 -1.712 -7.026 -2.594
60 HB VAL 7 HB VAL 7 -0.418 -4.906 -2.418
61 HG11 VAL 7 1HG1 VAL 7 -3.322 -4.650 -1.651
62 HG12 VAL 7 2HG1 VAL 7 -2.706 -4.933 -3.275
63 HG13 VAL 7 3HG1 VAL 7 -2.341 -3.419 -2.455
64 HG21 VAL 7 1HG2 VAL 7 -0.775 -3.423 -0.499
65 HG22 VAL 7 2HG2 VAL 7 -0.011 -4.934 0.006
66 HG23 VAL 7 3HG2 VAL 7 -1.728 -4.676 0.295
67 H SER 8 H SER 8 0.313 -7.531 -3.231
68 HA SER 8 HA SER 8 1.947 -9.048 -1.534
69 HB2 SER 8 2HB SER 8 2.578 -7.747 -4.194
70 HB3 SER 8 1HB SER 8 3.421 -9.117 -3.467
71 HG SER 8 HG SER 8 1.758 -10.397 -3.864
72 HA PRO 9 HA PRO 9 4.430 -5.966 0.508
73 HB2 PRO 9 2HB PRO 9 6.959 -7.093 0.190
74 HB3 PRO 9 1HB PRO 9 5.825 -7.485 1.484
75 HG2 PRO 9 2HG PRO 9 6.345 -8.922 -1.082
76 HG3 PRO 9 1HG PRO 9 6.031 -9.585 0.533
77 HD2 PRO 9 2HD PRO 9 4.135 -9.570 -1.338
78 HD3 PRO 9 1HD PRO 9 3.736 -9.230 0.359
79 H GLU 10 H GLU 10 5.612 -7.124 -2.614
80 HA GLU 10 HA GLU 10 7.316 -4.934 -3.129
81 HB2 GLU 10 2HB GLU 10 5.979 -6.772 -5.109
82 HB3 GLU 10 1HB GLU 10 7.347 -5.720 -5.438
83 HG2 GLU 10 2HG GLU 10 8.658 -6.966 -3.756
84 HG3 GLU 10 1HG GLU 10 7.298 -8.073 -3.573
85 H GLU 11 H GLU 11 4.031 -5.675 -4.316
86 HA GLU 11 HA GLU 11 3.620 -3.243 -5.624
87 HB2 GLU 11 2HB GLU 11 1.662 -5.183 -4.399
88 HB3 GLU 11 1HB GLU 11 1.142 -3.734 -5.238
89 HG2 GLU 11 2HG GLU 11 2.775 -5.959 -6.441
90 HG3 GLU 11 1HG GLU 11 1.043 -5.728 -6.659
91 H CYS 12 H CYS 12 3.024 -4.190 -2.284
92 HA CYS 12 HA CYS 12 1.787 -1.850 -1.418
93 HB2 CYS 12 2HB CYS 12 1.868 -3.800 0.011
94 HB3 CYS 12 1HB CYS 12 3.624 -3.709 0.095
95 H ARG 13 H ARG 13 5.273 -2.661 -1.328
96 HA ARG 13 HA ARG 13 6.270 -0.259 -0.339
97 HB2 ARG 13 2HB ARG 13 7.652 -2.238 -0.570
98 HB3 ARG 13 1HB ARG 13 7.444 -2.234 -2.308
99 HG2 ARG 13 2HG ARG 13 9.645 -1.457 -1.793
100 HG3 ARG 13 1HG ARG 13 8.702 -0.104 -2.404
101 HD2 ARG 13 2HD ARG 13 8.324 0.654 -0.096
102 HD3 ARG 13 1HD ARG 13 9.323 -0.679 0.492
103 HE ARG 13 HE ARG 13 10.448 1.149 -1.455
104 HH11 ARG 13 1HH1 ARG 13 10.300 0.174 1.947
105 HH12 ARG 13 2HH1 ARG 13 11.756 0.935 2.392
106 HH21 ARG 13 1HH2 ARG 13 12.518 2.191 -0.808
107 HH22 ARG 13 2HH2 ARG 13 13.012 2.072 0.826
108 H LYS 14 H LYS 14 5.527 -1.240 -3.585
109 HA LYS 14 HA LYS 14 6.374 0.923 -5.110
110 HB2 LYS 14 2HB LYS 14 5.791 -1.175 -6.044
111 HB3 LYS 14 1HB LYS 14 4.203 -1.112 -5.338
112 HG2 LYS 14 2HG LYS 14 3.558 0.619 -6.921
113 HG3 LYS 14 1HG LYS 14 5.180 0.568 -7.638
114 HD2 LYS 14 2HD LYS 14 4.924 -1.743 -8.210
115 HD3 LYS 14 1HD LYS 14 3.402 -1.840 -7.340
116 HE2 LYS 14 2HE LYS 14 2.400 -0.331 -8.959
117 HE3 LYS 14 1HE LYS 14 3.935 -0.255 -9.843
118 HZ1 LYS 14 1HZ LYS 14 2.391 -2.736 -9.311
119 HZ2 LYS 14 2HZ LYS 14 3.788 -2.626 -10.212
120 HZ3 LYS 14 3HZ LYS 14 2.372 -1.914 -10.788
121 H TYR 15 H TYR 15 3.090 0.251 -3.828
122 HA TYR 15 HA TYR 15 1.980 2.689 -4.716
123 HB2 TYR 15 2HB TYR 15 0.995 0.997 -2.406
124 HB3 TYR 15 1HB TYR 15 0.061 2.178 -3.309
125 HD1 TYR 15 1HD TYR 15 0.924 1.391 -6.116
126 HD2 TYR 15 2HD TYR 15 -0.254 -0.942 -2.761
127 HE1 TYR 15 1HE TYR 15 0.197 -0.385 -7.617
128 HE2 TYR 15 2HE TYR 15 -0.981 -2.738 -4.258
129 HH TYR 15 HH TYR 15 -0.072 -2.983 -7.385
130 H LYS 16 H LYS 16 3.498 1.743 -1.720
131 HA LYS 16 HA LYS 16 2.877 4.076 -0.277
132 HB2 LYS 16 2HB LYS 16 5.194 2.177 0.081
133 HB3 LYS 16 1HB LYS 16 4.792 3.469 1.202
134 HG2 LYS 16 2HG LYS 16 2.632 2.436 1.652
135 HG3 LYS 16 1HG LYS 16 2.984 1.163 0.483
136 HD2 LYS 16 2HD LYS 16 3.400 0.296 2.669
137 HD3 LYS 16 1HD LYS 16 4.958 0.548 1.887
138 HE2 LYS 16 2HE LYS 16 5.078 1.303 4.166
139 HE3 LYS 16 1HE LYS 16 5.180 2.693 3.099
140 HZ1 LYS 16 1HZ LYS 16 3.722 3.098 4.972
141 HZ2 LYS 16 2HZ LYS 16 2.735 1.813 4.563
142 HZ3 LYS 16 3HZ LYS 16 2.821 3.163 3.557
143 H GLU 17 H GLU 17 5.714 3.272 -2.246
144 HA GLU 17 HA GLU 17 6.962 5.778 -1.773
145 HB2 GLU 17 2HB GLU 17 7.428 3.715 -3.922
146 HB3 GLU 17 1HB GLU 17 8.418 5.151 -3.722
147 HG2 GLU 17 2HG GLU 17 8.969 4.373 -1.424
148 HG3 GLU 17 1HG GLU 17 8.083 2.889 -1.765
149 H GLU 18 H GLU 18 4.641 4.656 -4.064
150 HA GLU 18 HA GLU 18 4.896 6.801 -5.910
151 HB2 GLU 18 2HB GLU 18 3.938 4.639 -6.549
152 HB3 GLU 18 1HB GLU 18 2.606 4.891 -5.439
153 HG2 GLU 18 2HG GLU 18 1.784 6.725 -6.742
154 HG3 GLU 18 1HG GLU 18 3.183 6.661 -7.804
155 H TYR 19 H TYR 19 2.527 6.098 -3.369
156 HA TYR 19 HA TYR 19 1.278 8.671 -3.849
157 HB2 TYR 19 2HB TYR 19 0.519 6.389 -2.072
158 HB3 TYR 19 1HB TYR 19 -0.348 7.915 -2.106
159 HD1 TYR 19 1HD TYR 19 -1.446 8.628 -4.221
160 HD2 TYR 19 2HD TYR 19 0.140 4.726 -3.707
161 HE1 TYR 19 1HE TYR 19 -2.843 7.843 -6.040
162 HE2 TYR 19 2HE TYR 19 -1.257 3.906 -5.541
163 HH TYR 19 HH TYR 19 -3.457 4.620 -6.591
164 H DSG 20 H DAS 20 2.919 7.081 -1.119
165 HA DSG 20 HA DAS 20 2.710 9.657 0.232
166 HB2 DSG 20 1HB DAS 20 4.948 7.638 0.427
167 HB3 DSG 20 2HB DAS 20 4.777 9.024 1.498
168 HD21 DSG 20 1HD2 DAS 20 4.949 11.104 0.609
169 HD22 DSG 20 2HD2 DAS 20 5.846 11.371 -0.838
170 H CYS 21 H CYS 21 1.135 9.473 1.582
171 HA CYS 21 HA CYS 21 1.288 7.452 3.602
172 HB2 CYS 21 2HB CYS 21 0.691 9.680 4.332
173 HB3 CYS 21 1HB CYS 21 -0.675 9.728 3.231
174 H VAL 22 H VAL 22 0.826 5.565 2.757
175 HA VAL 22 HA VAL 22 -1.959 4.998 2.438
176 HB VAL 22 HB VAL 22 -1.486 3.345 0.559
177 HG11 VAL 22 1HG1 VAL 22 -1.584 4.949 -1.277
178 HG12 VAL 22 2HG1 VAL 22 -1.068 6.230 -0.183
179 HG13 VAL 22 3HG1 VAL 22 -2.626 5.445 0.061
180 HG21 VAL 22 1HG2 VAL 22 0.915 3.232 0.749
181 HG22 VAL 22 2HG2 VAL 22 1.047 4.932 0.292
182 HG23 VAL 22 3HG2 VAL 22 0.461 3.745 -0.877
183 H ARG 23 H ARG 23 -2.449 3.022 3.302
184 HA ARG 23 HA ARG 23 -0.192 1.776 4.691
185 HB2 ARG 23 2HB ARG 23 -1.801 3.010 6.136
186 HB3 ARG 23 1HB ARG 23 -3.079 1.954 5.552
187 HG2 ARG 23 2HG ARG 23 -2.361 1.239 7.707
188 HG3 ARG 23 1HG ARG 23 -1.874 0.027 6.513
189 HD2 ARG 23 2HD ARG 23 0.374 1.090 6.449
190 HD3 ARG 23 1HD ARG 23 -0.142 2.155 7.752
191 HE ARG 23 HE ARG 23 -0.550 -0.464 8.553
192 HH11 ARG 23 1HH1 ARG 23 2.080 1.759 7.774
193 HH12 ARG 23 2HH1 ARG 23 3.245 0.989 8.742
194 HH21 ARG 23 1HH2 ARG 23 1.075 -1.560 9.936
195 HH22 ARG 23 2HH2 ARG 23 2.653 -0.925 10.008
196 H CYS 24 H CYS 24 -0.046 -0.442 4.521
197 HA CYS 24 HA CYS 24 -2.068 -1.735 2.851
198 HB2 CYS 24 2HB CYS 24 0.717 -2.676 3.560
199 HB3 CYS 24 1HB CYS 24 -0.380 -3.412 2.400
200 H THR 25 H THR 25 -2.880 -3.745 3.568
201 HA THR 25 HA THR 25 -2.461 -4.225 6.421
202 HB THR 25 HB THR 25 -4.758 -5.162 4.685
203 HG1 THR 25 1HG THR 25 -4.126 -2.775 5.653
204 HG21 THR 25 1HG2 THR 25 -4.388 -6.467 6.767
205 HG22 THR 25 2HG2 THR 25 -5.887 -5.543 6.842
206 HG23 THR 25 3HG2 THR 25 -4.459 -4.972 7.701
207 H GLU 26 H GLU 26 -0.641 -5.416 6.224
208 HA GLU 26 HA GLU 26 -0.604 -7.744 4.500
209 HB2 GLU 26 2HB GLU 26 1.515 -6.514 6.281
210 HB3 GLU 26 1HB GLU 26 1.767 -7.848 5.165
211 HG2 GLU 26 2HG GLU 26 1.398 -6.421 3.280
212 HG3 GLU 26 1HG GLU 26 0.888 -5.095 4.324
Start of MODEL 4
1 H1 CYS 1 1HT CYS 1 -4.585 8.859 4.362
2 H2 CYS 1 2HT CYS 1 -5.639 7.590 4.748
3 H3 CYS 1 3HT CYS 1 -5.876 8.447 3.346
4 HA CYS 1 HA CYS 1 -3.791 7.624 2.467
5 HB2 CYS 1 2HB CYS 1 -3.727 6.192 5.126
6 HB3 CYS 1 1HB CYS 1 -2.730 5.727 3.762
7 H GLN 2 H GLN 2 -4.379 6.231 0.834
8 HA GLN 2 HA GLN 2 -6.695 4.637 0.982
9 HB2 GLN 2 2HB GLN 2 -4.339 4.496 -0.917
10 HB3 GLN 2 1HB GLN 2 -5.723 3.438 -1.058
11 HG2 GLN 2 2HG GLN 2 -5.968 5.198 -2.641
12 HG3 GLN 2 1HG GLN 2 -7.151 5.454 -1.368
13 HE21 GLN 2 1HE2 GLN 2 -7.352 7.602 -1.856
14 HE22 GLN 2 2HE2 GLN 2 -6.121 8.758 -1.489
15 H THR 3 H THR 3 -7.038 2.707 1.862
16 HA THR 3 HA THR 3 -4.735 1.343 2.996
17 HB THR 3 HB THR 3 -7.695 0.939 3.516
18 HG1 THR 3 1HG THR 3 -6.537 3.004 4.081
19 HG21 THR 3 1HG2 THR 3 -6.924 -0.255 5.539
20 HG22 THR 3 2HG2 THR 3 -5.250 -0.006 5.052
21 HG23 THR 3 3HG2 THR 3 -6.305 -1.031 4.081
22 H TRP 4 H TRP 4 -4.009 -0.489 2.161
23 HA TRP 4 HA TRP 4 -5.595 -1.823 0.063
24 HB2 TRP 4 2HB TRP 4 -2.606 -1.940 0.466
25 HB3 TRP 4 1HB TRP 4 -3.527 -2.492 -0.921
26 HD1 TRP 4 HD TRP 4 -1.995 0.595 0.629
27 HE1 TRP 4 1HE TRP 4 -2.031 2.508 -1.089
28 HE3 TRP 4 3HE TRP 4 -4.887 -1.576 -2.984
29 HZ2 TRP 4 2HZ TRP 4 -3.089 3.037 -3.582
30 HZ3 TRP 4 3HZ TRP 4 -5.368 -0.282 -5.026
31 HH2 TRP 4 HH TRP 4 -4.488 1.978 -5.321
32 H ARG 5 H ARG 5 -6.446 -3.673 0.924
33 HA ARG 5 HA ARG 5 -4.810 -5.105 2.869
34 HB2 ARG 5 2HB ARG 5 -7.738 -5.467 2.185
35 HB3 ARG 5 1HB ARG 5 -6.848 -6.512 3.275
36 HG2 ARG 5 2HG ARG 5 -6.425 -4.485 4.707
37 HG3 ARG 5 1HG ARG 5 -7.561 -3.611 3.674
38 HD2 ARG 5 2HD ARG 5 -8.663 -4.466 5.677
39 HD3 ARG 5 1HD ARG 5 -9.294 -5.255 4.230
40 HE ARG 5 HE ARG 5 -7.138 -6.719 5.368
41 HH11 ARG 5 1HH1 ARG 5 -10.587 -6.121 5.912
42 HH12 ARG 5 2HH1 ARG 5 -10.872 -7.651 6.606
43 HH21 ARG 5 1HH2 ARG 5 -7.542 -8.786 6.310
44 HH22 ARG 5 2HH2 ARG 5 -9.131 -9.202 6.817
45 H DAR 6 H DAR 6 -3.807 -6.840 2.353
46 HA DAR 6 HA DAR 6 -4.679 -8.844 0.568
47 HB2 DAR 6 1HB DAR 6 -3.000 -9.237 2.402
48 HB3 DAR 6 2HB DAR 6 -1.853 -8.290 1.463
49 HG2 DAR 6 1HG DAR 6 -1.933 -9.882 -0.332
50 HG3 DAR 6 2HG DAR 6 -3.090 -10.866 0.557
51 HD2 DAR 6 1HD DAR 6 -0.973 -11.875 0.866
52 HD3 DAR 6 2HD DAR 6 -1.389 -11.075 2.374
53 HE DAR 6 HE DAR 6 0.136 -9.239 1.026
54 HH11 DAR 6 1HH2 DAR 6 2.495 -8.992 1.544
55 HH12 DAR 6 2HH2 DAR 6 3.336 -10.374 2.055
56 HH21 DAR 6 1HH1 DAR 6 0.615 -12.601 1.984
57 HH22 DAR 6 2HH1 DAR 6 2.276 -12.442 2.322
58 H VAL 7 H VAL 7 -1.953 -6.652 0.264
59 HA VAL 7 HA VAL 7 -1.966 -7.136 -2.611
60 HB VAL 7 HB VAL 7 -0.594 -5.000 -2.774
61 HG11 VAL 7 1HG1 VAL 7 -2.967 -4.958 -3.297
62 HG12 VAL 7 2HG1 VAL 7 -2.499 -3.459 -2.495
63 HG13 VAL 7 3HG1 VAL 7 -3.356 -4.712 -1.596
64 HG21 VAL 7 1HG2 VAL 7 0.182 -4.923 -0.435
65 HG22 VAL 7 2HG2 VAL 7 -1.477 -4.610 0.093
66 HG23 VAL 7 3HG2 VAL 7 -0.630 -3.424 -0.895
67 H SER 8 H SER 8 0.336 -7.258 -3.483
68 HA SER 8 HA SER 8 1.743 -8.944 -1.651
69 HB2 SER 8 2HB SER 8 3.311 -9.339 -3.583
70 HB3 SER 8 1HB SER 8 1.628 -9.697 -3.951
71 HG SER 8 HG SER 8 1.511 -7.645 -4.958
72 HA PRO 9 HA PRO 9 4.669 -6.397 0.315
73 HB2 PRO 9 2HB PRO 9 6.862 -7.810 -1.123
74 HB3 PRO 9 1HB PRO 9 6.687 -7.486 0.607
75 HG2 PRO 9 2HG PRO 9 6.195 -9.904 -0.361
76 HG3 PRO 9 1HG PRO 9 5.162 -9.220 0.900
77 HD2 PRO 9 2HD PRO 9 4.629 -9.572 -1.994
78 HD3 PRO 9 1HD PRO 9 3.511 -9.646 -0.619
79 H GLU 10 H GLU 10 5.707 -6.961 -3.050
80 HA GLU 10 HA GLU 10 7.155 -4.521 -3.116
81 HB2 GLU 10 2HB GLU 10 6.351 -6.340 -5.361
82 HB3 GLU 10 1HB GLU 10 7.431 -4.962 -5.524
83 HG2 GLU 10 2HG GLU 10 8.971 -5.960 -3.930
84 HG3 GLU 10 1HG GLU 10 7.891 -7.336 -3.746
85 H GLU 11 H GLU 11 3.895 -5.396 -4.008
86 HA GLU 11 HA GLU 11 3.339 -2.995 -5.428
87 HB2 GLU 11 2HB GLU 11 1.481 -4.795 -3.861
88 HB3 GLU 11 1HB GLU 11 0.952 -3.486 -4.907
89 HG2 GLU 11 2HG GLU 11 1.892 -4.614 -6.827
90 HG3 GLU 11 1HG GLU 11 2.501 -5.900 -5.785
91 H CYS 12 H CYS 12 2.953 -4.044 -2.101
92 HA CYS 12 HA CYS 12 1.959 -1.719 -0.964
93 HB2 CYS 12 2HB CYS 12 2.053 -3.706 0.360
94 HB3 CYS 12 1HB CYS 12 3.795 -3.838 0.149
95 H ARG 13 H ARG 13 5.366 -2.692 -1.397
96 HA ARG 13 HA ARG 13 6.628 -0.455 -0.385
97 HB2 ARG 13 2HB ARG 13 7.933 -2.369 -1.081
98 HB3 ARG 13 1HB ARG 13 7.417 -2.160 -2.755
99 HG2 ARG 13 2HG ARG 13 8.479 0.104 -2.688
100 HG3 ARG 13 1HG ARG 13 9.180 -0.351 -1.145
101 HD2 ARG 13 2HD ARG 13 10.429 -2.115 -2.182
102 HD3 ARG 13 1HD ARG 13 9.599 -1.850 -3.723
103 HE ARG 13 HE ARG 13 10.806 0.505 -2.705
104 HH11 ARG 13 1HH1 ARG 13 11.544 -2.429 -4.594
105 HH12 ARG 13 2HH1 ARG 13 12.837 -1.705 -5.433
106 HH21 ARG 13 1HH2 ARG 13 12.524 1.474 -3.924
107 HH22 ARG 13 2HH2 ARG 13 13.406 0.561 -5.054
108 H LYS 14 H LYS 14 5.591 -1.040 -3.720
109 HA LYS 14 HA LYS 14 6.463 1.426 -4.693
110 HB2 LYS 14 2HB LYS 14 4.413 -0.473 -5.826
111 HB3 LYS 14 1HB LYS 14 5.054 0.926 -6.681
112 HG2 LYS 14 2HG LYS 14 7.301 0.001 -6.563
113 HG3 LYS 14 1HG LYS 14 6.691 -1.385 -5.661
114 HD2 LYS 14 2HD LYS 14 5.294 -1.993 -7.608
115 HD3 LYS 14 1HD LYS 14 5.995 -0.640 -8.504
116 HE2 LYS 14 2HE LYS 14 8.225 -1.616 -8.229
117 HE3 LYS 14 1HE LYS 14 7.527 -2.961 -7.334
118 HZ1 LYS 14 1HZ LYS 14 7.920 -3.595 -9.602
119 HZ2 LYS 14 2HZ LYS 14 7.025 -2.307 -10.187
120 HZ3 LYS 14 3HZ LYS 14 6.262 -3.540 -9.350
121 H TYR 15 H TYR 15 3.332 0.447 -3.389
122 HA TYR 15 HA TYR 15 2.064 2.899 -4.006
123 HB2 TYR 15 2HB TYR 15 1.435 0.964 -1.758
124 HB3 TYR 15 1HB TYR 15 0.389 2.269 -2.296
125 HD1 TYR 15 1HD TYR 15 -0.250 -0.720 -2.108
126 HD2 TYR 15 2HD TYR 15 1.057 1.709 -5.348
127 HE1 TYR 15 1HE TYR 15 -1.300 -2.263 -3.699
128 HE2 TYR 15 2HE TYR 15 0.015 0.194 -6.924
129 HH TYR 15 HH TYR 15 -0.669 -2.121 -7.014
130 H LYS 16 H LYS 16 3.868 1.791 -1.193
131 HA LYS 16 HA LYS 16 3.423 4.135 0.359
132 HB2 LYS 16 2HB LYS 16 5.468 1.952 0.630
133 HB3 LYS 16 1HB LYS 16 5.287 3.268 1.779
134 HG2 LYS 16 2HG LYS 16 3.006 2.510 2.263
135 HG3 LYS 16 1HG LYS 16 3.206 1.196 1.104
136 HD2 LYS 16 2HD LYS 16 3.575 0.348 3.338
137 HD3 LYS 16 1HD LYS 16 5.094 0.334 2.451
138 HE2 LYS 16 2HE LYS 16 5.446 1.125 4.724
139 HE3 LYS 16 1HE LYS 16 5.765 2.424 3.584
140 HZ1 LYS 16 1HZ LYS 16 4.497 3.208 5.452
141 HZ2 LYS 16 2HZ LYS 16 3.295 2.067 5.201
142 HZ3 LYS 16 3HZ LYS 16 3.543 3.307 4.073
143 H GLU 17 H GLU 17 5.666 3.388 -2.131
144 HA GLU 17 HA GLU 17 7.196 5.749 -1.390
145 HB2 GLU 17 2HB GLU 17 7.754 3.626 -3.448
146 HB3 GLU 17 1HB GLU 17 8.737 5.071 -3.266
147 HG2 GLU 17 2HG GLU 17 9.125 4.393 -0.883
148 HG3 GLU 17 1HG GLU 17 8.320 2.872 -1.259
149 H GLU 18 H GLU 18 4.964 4.690 -3.844
150 HA GLU 18 HA GLU 18 5.473 6.983 -5.527
151 HB2 GLU 18 2HB GLU 18 4.905 4.731 -6.439
152 HB3 GLU 18 1HB GLU 18 3.298 4.905 -5.755
153 HG2 GLU 18 2HG GLU 18 3.192 5.429 -8.070
154 HG3 GLU 18 1HG GLU 18 2.993 6.930 -7.165
155 H TYR 19 H TYR 19 2.585 5.745 -3.778
156 HA TYR 19 HA TYR 19 1.175 8.180 -4.390
157 HB2 TYR 19 2HB TYR 19 0.338 5.877 -2.633
158 HB3 TYR 19 1HB TYR 19 -0.700 7.210 -3.114
159 HD1 TYR 19 1HD TYR 19 -0.351 3.939 -3.630
160 HD2 TYR 19 2HD TYR 19 -0.310 7.504 -5.937
161 HE1 TYR 19 1HE TYR 19 -1.036 2.666 -5.598
162 HE2 TYR 19 2HE TYR 19 -0.998 6.239 -7.914
163 HH TYR 19 HH TYR 19 -2.156 3.045 -7.716
164 H DSG 20 H DAS 20 2.793 6.778 -1.671
165 HA DSG 20 HA DAS 20 2.702 9.357 -0.390
166 HB2 DSG 20 1HB DAS 20 4.849 8.358 -0.851
167 HB3 DSG 20 2HB DAS 20 4.378 6.891 -0.015
168 HD21 DSG 20 1HD2 DAS 20 5.991 6.942 1.335
169 HD22 DSG 20 2HD2 DAS 20 6.119 8.075 2.637
170 H CYS 21 H CYS 21 0.694 9.326 0.503
171 HA CYS 21 HA CYS 21 0.462 7.971 3.002
172 HB2 CYS 21 2HB CYS 21 -0.224 10.255 2.871
173 HB3 CYS 21 1HB CYS 21 -1.312 9.933 1.540
174 H VAL 22 H VAL 22 0.333 5.842 2.479
175 HA VAL 22 HA VAL 22 -2.349 4.949 1.831
176 HB VAL 22 HB VAL 22 -1.508 3.024 0.546
177 HG11 VAL 22 1HG1 VAL 22 -0.907 4.153 -1.537
178 HG12 VAL 22 2HG1 VAL 22 -0.614 5.640 -0.634
179 HG13 VAL 22 3HG1 VAL 22 -2.242 4.966 -0.714
180 HG21 VAL 22 1HG2 VAL 22 0.769 2.979 -0.315
181 HG22 VAL 22 2HG2 VAL 22 0.725 2.841 1.451
182 HG23 VAL 22 3HG2 VAL 22 1.178 4.373 0.689
183 H ARG 23 H ARG 23 -2.689 2.746 2.647
184 HA ARG 23 HA ARG 23 -0.886 2.142 4.874
185 HB2 ARG 23 2HB ARG 23 -3.898 1.933 4.839
186 HB3 ARG 23 1HB ARG 23 -2.894 1.171 6.054
187 HG2 ARG 23 2HG ARG 23 -2.094 3.416 6.728
188 HG3 ARG 23 1HG ARG 23 -3.213 4.122 5.553
189 HD2 ARG 23 2HD ARG 23 -4.190 4.093 7.806
190 HD3 ARG 23 1HD ARG 23 -5.097 3.068 6.692
191 HE ARG 23 HE ARG 23 -3.089 1.977 8.548
192 HH11 ARG 23 1HH1 ARG 23 -6.417 1.902 7.268
193 HH12 ARG 23 2HH1 ARG 23 -6.812 0.458 8.079
194 HH21 ARG 23 1HH2 ARG 23 -3.702 -0.014 9.616
195 HH22 ARG 23 2HH2 ARG 23 -5.257 -0.664 9.394
196 H CYS 24 H CYS 24 -0.108 0.151 4.830
197 HA CYS 24 HA CYS 24 -1.259 -1.717 2.908
198 HB2 CYS 24 2HB CYS 24 1.375 -1.740 4.376
199 HB3 CYS 24 1HB CYS 24 0.813 -3.048 3.348
200 H THR 25 H THR 25 -2.327 -3.445 3.574
201 HA THR 25 HA THR 25 -1.854 -4.397 6.269
202 HB THR 25 HB THR 25 -4.570 -4.113 4.964
203 HG1 THR 25 1HG THR 25 -3.036 -2.391 6.412
204 HG21 THR 25 1HG2 THR 25 -3.787 -4.880 7.789
205 HG22 THR 25 2HG2 THR 25 -4.383 -5.990 6.554
206 HG23 THR 25 3HG2 THR 25 -5.436 -4.722 7.181
207 H GLU 26 H GLU 26 -0.617 -5.985 5.451
208 HA GLU 26 HA GLU 26 -1.622 -7.694 3.339
209 HB2 GLU 26 2HB GLU 26 1.034 -7.637 4.774
210 HB3 GLU 26 1HB GLU 26 0.642 -8.666 3.405
211 HG2 GLU 26 2HG GLU 26 0.430 -6.751 1.966
212 HG3 GLU 26 1HG GLU 26 0.645 -5.654 3.331
Start of MODEL 5
1 H1 CYS 1 1HT CYS 1 -5.467 9.366 3.964
2 H2 CYS 1 2HT CYS 1 -6.262 7.930 4.422
3 H3 CYS 1 3HT CYS 1 -6.528 8.567 2.907
4 HA CYS 1 HA CYS 1 -4.332 8.124 2.240
5 HB2 CYS 1 2HB CYS 1 -4.065 6.968 5.025
6 HB3 CYS 1 1HB CYS 1 -2.850 6.837 3.757
7 H GLN 2 H GLN 2 -4.380 6.371 0.923
8 HA GLN 2 HA GLN 2 -6.614 4.714 0.957
9 HB2 GLN 2 2HB GLN 2 -4.053 4.379 -0.598
10 HB3 GLN 2 1HB GLN 2 -5.514 3.457 -0.862
11 HG2 GLN 2 2HG GLN 2 -5.304 6.443 -1.152
12 HG3 GLN 2 1HG GLN 2 -5.198 5.288 -2.475
13 HE21 GLN 2 1HE2 GLN 2 -6.937 6.062 -3.514
14 HE22 GLN 2 2HE2 GLN 2 -8.565 5.902 -2.938
15 H THR 3 H THR 3 -7.003 2.716 1.612
16 HA THR 3 HA THR 3 -4.878 1.352 3.051
17 HB THR 3 HB THR 3 -6.990 1.817 4.328
18 HG1 THR 3 1HG THR 3 -7.210 -0.166 5.178
19 HG21 THR 3 1HG2 THR 3 -8.626 1.648 2.510
20 HG22 THR 3 2HG2 THR 3 -9.039 0.548 3.821
21 HG23 THR 3 3HG2 THR 3 -8.282 -0.074 2.355
22 H TRP 4 H TRP 4 -4.193 -0.613 2.381
23 HA TRP 4 HA TRP 4 -5.351 -1.630 -0.141
24 HB2 TRP 4 2HB TRP 4 -2.456 -1.779 0.702
25 HB3 TRP 4 1HB TRP 4 -3.144 -2.365 -0.796
26 HD1 TRP 4 HD TRP 4 -1.378 0.500 0.619
27 HE1 TRP 4 1HE TRP 4 -1.415 2.491 -1.018
28 HE3 TRP 4 3HE TRP 4 -4.991 -1.128 -2.557
29 HZ2 TRP 4 2HZ TRP 4 -2.794 3.278 -3.330
30 HZ3 TRP 4 3HZ TRP 4 -5.629 0.308 -4.471
31 HH2 TRP 4 HH TRP 4 -4.540 2.468 -4.834
32 H ARG 5 H ARG 5 -6.436 -3.454 0.395
33 HA ARG 5 HA ARG 5 -5.223 -5.292 2.313
34 HB2 ARG 5 2HB ARG 5 -7.939 -5.260 1.010
35 HB3 ARG 5 1HB ARG 5 -7.351 -6.615 1.956
36 HG2 ARG 5 2HG ARG 5 -7.134 -5.134 3.900
37 HG3 ARG 5 1HG ARG 5 -7.786 -3.807 2.938
38 HD2 ARG 5 2HD ARG 5 -9.504 -4.857 4.346
39 HD3 ARG 5 1HD ARG 5 -9.868 -5.014 2.629
40 HE ARG 5 HE ARG 5 -8.635 -7.311 3.107
41 HH11 ARG 5 1HH1 ARG 5 -11.172 -5.752 5.027
42 HH12 ARG 5 2HH1 ARG 5 -11.930 -7.203 5.482
43 HH21 ARG 5 1HH2 ARG 5 -9.671 -9.290 3.710
44 HH22 ARG 5 2HH2 ARG 5 -11.051 -9.295 4.708
45 H DAR 6 H DAR 6 -4.618 -7.345 1.823
46 HA DAR 6 HA DAR 6 -5.177 -8.716 -0.524
47 HB2 DAR 6 1HB DAR 6 -3.436 -10.314 0.142
48 HB3 DAR 6 2HB DAR 6 -4.532 -9.918 1.449
49 HG2 DAR 6 1HG DAR 6 -2.832 -8.421 2.424
50 HG3 DAR 6 2HG DAR 6 -1.726 -8.858 1.118
51 HD2 DAR 6 1HD DAR 6 -1.862 -11.202 1.796
52 HD3 DAR 6 2HD DAR 6 -2.952 -10.769 3.106
53 HE DAR 6 HE DAR 6 -0.817 -9.278 3.704
54 HH11 DAR 6 1HH2 DAR 6 0.944 -9.931 4.969
55 HH12 DAR 6 2HH2 DAR 6 1.484 -11.568 5.005
56 HH21 DAR 6 1HH1 DAR 6 -1.040 -12.688 2.782
57 HH22 DAR 6 2HH1 DAR 6 0.293 -13.159 3.724
58 H VAL 7 H VAL 7 -2.512 -6.562 0.108
59 HA VAL 7 HA VAL 7 -1.852 -6.859 -2.704
60 HB VAL 7 HB VAL 7 -0.504 -4.751 -2.433
61 HG11 VAL 7 1HG1 VAL 7 -2.794 -4.754 -3.316
62 HG12 VAL 7 2HG1 VAL 7 -2.431 -3.281 -2.431
63 HG13 VAL 7 3HG1 VAL 7 -3.421 -4.541 -1.680
64 HG21 VAL 7 1HG2 VAL 7 -1.866 -4.644 0.259
65 HG22 VAL 7 2HG2 VAL 7 -0.858 -3.377 -0.446
66 HG23 VAL 7 3HG2 VAL 7 -0.150 -4.933 -0.002
67 H SER 8 H SER 8 0.160 -7.248 -3.452
68 HA SER 8 HA SER 8 1.734 -8.995 -1.884
69 HB2 SER 8 2HB SER 8 2.340 -7.693 -4.547
70 HB3 SER 8 1HB SER 8 3.083 -9.153 -3.893
71 HG SER 8 HG SER 8 0.558 -9.598 -3.760
72 HA PRO 9 HA PRO 9 4.544 -6.320 0.288
73 HB2 PRO 9 2HB PRO 9 6.934 -7.586 -0.637
74 HB3 PRO 9 1HB PRO 9 6.111 -7.825 0.905
75 HG2 PRO 9 2HG PRO 9 6.002 -9.452 -1.561
76 HG3 PRO 9 1HG PRO 9 5.725 -9.933 0.115
77 HD2 PRO 9 2HD PRO 9 3.718 -9.709 -1.656
78 HD3 PRO 9 1HD PRO 9 3.495 -9.305 0.058
79 H GLU 10 H GLU 10 5.777 -7.157 -2.963
80 HA GLU 10 HA GLU 10 7.350 -4.864 -3.317
81 HB2 GLU 10 2HB GLU 10 7.606 -6.845 -4.721
82 HB3 GLU 10 1HB GLU 10 5.982 -6.596 -5.350
83 HG2 GLU 10 2HG GLU 10 6.686 -4.548 -6.428
84 HG3 GLU 10 1HG GLU 10 8.311 -4.745 -5.777
85 H GLU 11 H GLU 11 4.073 -5.538 -4.609
86 HA GLU 11 HA GLU 11 3.529 -3.032 -5.633
87 HB2 GLU 11 2HB GLU 11 1.780 -5.210 -4.580
88 HB3 GLU 11 1HB GLU 11 1.065 -3.654 -4.955
89 HG2 GLU 11 2HG GLU 11 0.862 -5.291 -6.788
90 HG3 GLU 11 1HG GLU 11 1.727 -3.835 -7.251
91 H CYS 12 H CYS 12 2.964 -4.198 -2.361
92 HA CYS 12 HA CYS 12 1.699 -1.926 -1.370
93 HB2 CYS 12 2HB CYS 12 1.696 -3.978 -0.109
94 HB3 CYS 12 1HB CYS 12 3.447 -3.928 0.055
95 H ARG 13 H ARG 13 5.187 -2.710 -1.343
96 HA ARG 13 HA ARG 13 5.963 -0.312 -0.046
97 HB2 ARG 13 2HB ARG 13 7.557 -2.038 -1.936
98 HB3 ARG 13 1HB ARG 13 8.229 -0.802 -0.885
99 HG2 ARG 13 2HG ARG 13 7.508 -2.089 1.065
100 HG3 ARG 13 1HG ARG 13 6.843 -3.324 -0.006
101 HD2 ARG 13 2HD ARG 13 9.721 -2.491 0.254
102 HD3 ARG 13 1HD ARG 13 9.028 -4.030 0.746
103 HE ARG 13 HE ARG 13 9.193 -3.102 -2.041
104 HH11 ARG 13 1HH1 ARG 13 9.311 -5.741 0.291
105 HH12 ARG 13 2HH1 ARG 13 9.882 -6.910 -0.806
106 HH21 ARG 13 1HH2 ARG 13 9.983 -4.698 -3.593
107 HH22 ARG 13 2HH2 ARG 13 10.261 -6.286 -3.070
108 H LYS 14 H LYS 14 5.536 -1.222 -3.378
109 HA LYS 14 HA LYS 14 6.526 1.097 -4.597
110 HB2 LYS 14 2HB LYS 14 6.260 -0.919 -5.856
111 HB3 LYS 14 1HB LYS 14 4.561 -1.004 -5.454
112 HG2 LYS 14 2HG LYS 14 4.027 0.755 -6.955
113 HG3 LYS 14 1HG LYS 14 5.727 1.172 -7.177
114 HD2 LYS 14 2HD LYS 14 4.724 -0.151 -9.075
115 HD3 LYS 14 1HD LYS 14 6.158 -0.869 -8.354
116 HE2 LYS 14 2HE LYS 14 4.744 -2.370 -7.043
117 HE3 LYS 14 1HE LYS 14 3.294 -1.663 -7.765
118 HZ1 LYS 14 1HZ LYS 14 3.965 -2.554 -9.891
119 HZ2 LYS 14 2HZ LYS 14 4.034 -3.802 -8.747
120 HZ3 LYS 14 3HZ LYS 14 5.439 -3.076 -9.261
121 H TYR 15 H TYR 15 3.209 0.230 -3.596
122 HA TYR 15 HA TYR 15 2.023 2.621 -4.446
123 HB2 TYR 15 2HB TYR 15 1.197 0.845 -2.129
124 HB3 TYR 15 1HB TYR 15 0.219 2.151 -2.775
125 HD1 TYR 15 1HD TYR 15 0.569 1.690 -5.717
126 HD2 TYR 15 2HD TYR 15 -0.080 -1.059 -2.537
127 HE1 TYR 15 1HE TYR 15 -0.477 0.139 -7.285
128 HE2 TYR 15 2HE TYR 15 -1.120 -2.630 -4.104
129 HH TYR 15 HH TYR 15 -2.278 -2.518 -6.276
130 H LYS 16 H LYS 16 3.477 1.740 -1.364
131 HA LYS 16 HA LYS 16 3.027 4.175 -0.033
132 HB2 LYS 16 2HB LYS 16 5.194 2.099 0.321
133 HB3 LYS 16 1HB LYS 16 4.972 3.455 1.415
134 HG2 LYS 16 2HG LYS 16 2.801 2.664 2.060
135 HG3 LYS 16 1HG LYS 16 2.843 1.408 0.825
136 HD2 LYS 16 2HD LYS 16 4.705 0.326 1.995
137 HD3 LYS 16 1HD LYS 16 4.685 1.617 3.199
138 HE2 LYS 16 2HE LYS 16 2.511 0.979 3.960
139 HE3 LYS 16 1HE LYS 16 2.321 -0.163 2.633
140 HZ1 LYS 16 1HZ LYS 16 2.887 -1.354 4.657
141 HZ2 LYS 16 2HZ LYS 16 4.286 -0.421 4.868
142 HZ3 LYS 16 3HZ LYS 16 4.152 -1.451 3.563
143 H GLU 17 H GLU 17 5.601 3.136 -2.112
144 HA GLU 17 HA GLU 17 7.356 5.307 -1.815
145 HB2 GLU 17 2HB GLU 17 7.972 3.145 -2.774
146 HB3 GLU 17 1HB GLU 17 6.912 3.441 -4.136
147 HG2 GLU 17 2HG GLU 17 8.322 5.350 -4.778
148 HG3 GLU 17 1HG GLU 17 9.409 4.960 -3.444
149 H GLU 18 H GLU 18 4.866 4.655 -4.282
150 HA GLU 18 HA GLU 18 5.437 7.127 -5.655
151 HB2 GLU 18 2HB GLU 18 3.150 5.228 -6.175
152 HB3 GLU 18 1HB GLU 18 3.797 6.439 -7.270
153 HG2 GLU 18 2HG GLU 18 5.942 5.182 -7.275
154 HG3 GLU 18 1HG GLU 18 5.143 3.936 -6.322
155 H TYR 19 H TYR 19 2.818 5.916 -3.620
156 HA TYR 19 HA TYR 19 1.204 8.232 -4.203
157 HB2 TYR 19 2HB TYR 19 0.685 5.821 -2.470
158 HB3 TYR 19 1HB TYR 19 -0.460 7.139 -2.674
159 HD1 TYR 19 1HD TYR 19 -2.046 6.982 -4.360
160 HD2 TYR 19 2HD TYR 19 1.509 4.677 -4.709
161 HE1 TYR 19 1HE TYR 19 -2.942 5.902 -6.363
162 HE2 TYR 19 2HE TYR 19 0.635 3.592 -6.702
163 HH TYR 19 HH TYR 19 -1.714 3.119 -7.687
164 H DSG 20 H DAS 20 3.006 6.995 -1.406
165 HA DSG 20 HA DAS 20 2.443 9.582 -0.174
166 HB2 DSG 20 1HB DAS 20 4.964 7.938 -0.066
167 HB3 DSG 20 2HB DAS 20 4.627 9.213 1.100
168 HD21 DSG 20 1HD2 DAS 20 5.477 8.506 -2.197
169 HD22 DSG 20 2HD2 DAS 20 5.802 10.128 -2.654
170 H CYS 21 H CYS 21 0.885 9.298 1.179
171 HA CYS 21 HA CYS 21 1.347 7.512 3.397
172 HB2 CYS 21 2HB CYS 21 0.725 9.807 3.926
173 HB3 CYS 21 1HB CYS 21 -0.745 9.653 2.972
174 H VAL 22 H VAL 22 0.782 5.488 2.862
175 HA VAL 22 HA VAL 22 -2.022 4.956 2.468
176 HB VAL 22 HB VAL 22 -1.571 3.191 0.737
177 HG11 VAL 22 1HG1 VAL 22 -0.776 5.942 -0.194
178 HG12 VAL 22 2HG1 VAL 22 -2.423 5.377 0.029
179 HG13 VAL 22 3HG1 VAL 22 -1.400 4.639 -1.210
180 HG21 VAL 22 1HG2 VAL 22 1.129 4.482 0.584
181 HG22 VAL 22 2HG2 VAL 22 0.511 3.284 -0.557
182 HG23 VAL 22 3HG2 VAL 22 0.783 2.841 1.132
183 H ARG 23 H ARG 23 -2.559 2.789 3.135
184 HA ARG 23 HA ARG 23 -0.450 1.554 4.724
185 HB2 ARG 23 2HB ARG 23 -1.682 2.868 6.284
186 HB3 ARG 23 1HB ARG 23 -3.213 2.300 5.645
187 HG2 ARG 23 2HG ARG 23 -3.004 0.234 6.685
188 HG3 ARG 23 1HG ARG 23 -1.265 0.426 6.924
189 HD2 ARG 23 2HD ARG 23 -3.337 2.173 8.242
190 HD3 ARG 23 1HD ARG 23 -2.651 0.733 9.001
191 HE ARG 23 HE ARG 23 -0.444 2.004 8.385
192 HH11 ARG 23 1HH1 ARG 23 -3.347 3.391 9.850
193 HH12 ARG 23 2HH1 ARG 23 -2.477 4.594 10.696
194 HH21 ARG 23 1HH2 ARG 23 0.696 3.624 9.542
195 HH22 ARG 23 2HH2 ARG 23 -0.163 4.742 10.507
196 H CYS 24 H CYS 24 -0.254 -0.493 4.393
197 HA CYS 24 HA CYS 24 -2.320 -1.876 2.859
198 HB2 CYS 24 2HB CYS 24 0.448 -2.814 3.607
199 HB3 CYS 24 1HB CYS 24 -0.642 -3.550 2.447
200 H THR 25 H THR 25 -3.143 -3.843 3.626
201 HA THR 25 HA THR 25 -2.849 -4.350 6.422
202 HB THR 25 HB THR 25 -4.138 -6.080 4.268
203 HG1 THR 25 1HG THR 25 -4.878 -3.700 5.336
204 HG21 THR 25 1HG2 THR 25 -5.429 -7.010 6.156
205 HG22 THR 25 2HG2 THR 25 -4.543 -5.965 7.268
206 HG23 THR 25 3HG2 THR 25 -3.697 -7.239 6.393
207 H GLU 26 H GLU 26 -0.868 -4.894 6.878
208 HA GLU 26 HA GLU 26 1.069 -5.842 5.131
209 HB2 GLU 26 2HB GLU 26 1.080 -5.939 8.138
210 HB3 GLU 26 1HB GLU 26 2.488 -6.043 7.098
211 HG2 GLU 26 2HG GLU 26 0.669 -3.642 7.353
212 HG3 GLU 26 1HG GLU 26 2.226 -3.822 8.146
Start of MODEL 6
1 H1 CYS 1 1HT CYS 1 -5.294 10.378 2.684
2 H2 CYS 1 2HT CYS 1 -6.621 9.329 2.773
3 H3 CYS 1 3HT CYS 1 -5.947 9.672 1.284
4 HA CYS 1 HA CYS 1 -3.976 8.518 1.836
5 HB2 CYS 1 2HB CYS 1 -5.397 7.976 4.464
6 HB3 CYS 1 1HB CYS 1 -3.858 7.281 3.964
7 H GLN 2 H GLN 2 -3.913 6.103 1.653
8 HA GLN 2 HA GLN 2 -6.583 5.053 1.073
9 HB2 GLN 2 2HB GLN 2 -4.090 4.731 -0.605
10 HB3 GLN 2 1HB GLN 2 -5.490 3.687 -0.765
11 HG2 GLN 2 2HG GLN 2 -5.519 6.674 -1.132
12 HG3 GLN 2 1HG GLN 2 -5.451 5.487 -2.436
13 HE21 GLN 2 1HE2 GLN 2 -7.490 7.506 -1.827
14 HE22 GLN 2 2HE2 GLN 2 -8.966 6.622 -1.688
15 H THR 3 H THR 3 -6.825 2.770 1.269
16 HA THR 3 HA THR 3 -4.829 1.564 3.040
17 HB THR 3 HB THR 3 -7.812 1.004 2.955
18 HG1 THR 3 1HG THR 3 -6.969 3.148 3.773
19 HG21 THR 3 1HG2 THR 3 -5.675 0.201 4.953
20 HG22 THR 3 2HG2 THR 3 -6.442 -0.875 3.786
21 HG23 THR 3 3HG2 THR 3 -7.395 -0.164 5.087
22 H TRP 4 H TRP 4 -4.112 -0.434 2.441
23 HA TRP 4 HA TRP 4 -5.232 -1.589 -0.022
24 HB2 TRP 4 2HB TRP 4 -2.343 -1.603 0.882
25 HB3 TRP 4 1HB TRP 4 -2.981 -2.283 -0.611
26 HD1 TRP 4 HD TRP 4 -1.763 0.923 0.899
27 HE1 TRP 4 1HE TRP 4 -1.868 2.802 -0.874
28 HE3 TRP 4 3HE TRP 4 -4.421 -1.501 -2.701
29 HZ2 TRP 4 2HZ TRP 4 -2.922 3.195 -3.415
30 HZ3 TRP 4 3HZ TRP 4 -4.944 -0.306 -4.789
31 HH2 TRP 4 HH TRP 4 -4.208 1.993 -5.130
32 H ARG 5 H ARG 5 -5.821 -3.668 0.162
33 HA ARG 5 HA ARG 5 -4.774 -5.225 2.397
34 HB2 ARG 5 2HB ARG 5 -7.685 -5.039 1.558
35 HB3 ARG 5 1HB ARG 5 -7.060 -6.237 2.680
36 HG2 ARG 5 2HG ARG 5 -6.411 -4.456 4.228
37 HG3 ARG 5 1HG ARG 5 -7.008 -3.249 3.093
38 HD2 ARG 5 2HD ARG 5 -8.634 -3.614 4.849
39 HD3 ARG 5 1HD ARG 5 -9.273 -4.196 3.316
40 HE ARG 5 HE ARG 5 -8.308 -6.447 4.289
41 HH11 ARG 5 1HH1 ARG 5 -10.169 -3.954 5.986
42 HH12 ARG 5 2HH1 ARG 5 -10.864 -5.024 7.101
43 HH21 ARG 5 1HH2 ARG 5 -9.330 -7.953 5.844
44 HH22 ARG 5 2HH2 ARG 5 -10.406 -7.327 6.997
45 H DAR 6 H DAR 6 -4.114 -7.185 1.827
46 HA DAR 6 HA DAR 6 -5.133 -8.659 -0.390
47 HB2 DAR 6 1HB DAR 6 -2.523 -8.988 1.092
48 HB3 DAR 6 2HB DAR 6 -3.174 -10.132 -0.059
49 HG2 DAR 6 1HG DAR 6 -5.032 -10.611 1.409
50 HG3 DAR 6 2HG DAR 6 -4.406 -9.449 2.586
51 HD2 DAR 6 1HD DAR 6 -2.295 -10.735 2.655
52 HD3 DAR 6 2HD DAR 6 -3.006 -11.921 1.568
53 HE DAR 6 HE DAR 6 -4.748 -12.067 3.453
54 HH11 DAR 6 1HH2 DAR 6 -4.644 -13.203 5.486
55 HH12 DAR 6 2HH2 DAR 6 -3.158 -13.412 6.299
56 HH21 DAR 6 1HH1 DAR 6 -1.233 -11.671 3.854
57 HH22 DAR 6 2HH1 DAR 6 -1.168 -12.501 5.344
58 H VAL 7 H VAL 7 -1.950 -7.245 0.217
59 HA VAL 7 HA VAL 7 -1.517 -7.037 -2.658
60 HB VAL 7 HB VAL 7 -0.174 -4.962 -2.223
61 HG11 VAL 7 1HG1 VAL 7 -3.057 -4.767 -1.370
62 HG12 VAL 7 2HG1 VAL 7 -2.457 -4.793 -3.028
63 HG13 VAL 7 3HG1 VAL 7 -2.055 -3.442 -1.971
64 HG21 VAL 7 1HG2 VAL 7 -1.419 -5.105 0.522
65 HG22 VAL 7 2HG2 VAL 7 -0.492 -3.748 -0.116
66 HG23 VAL 7 3HG2 VAL 7 0.293 -5.307 0.148
67 H SER 8 H SER 8 0.638 -7.338 -3.280
68 HA SER 8 HA SER 8 2.120 -9.135 -1.581
69 HB2 SER 8 2HB SER 8 3.004 -7.953 -4.217
70 HB3 SER 8 1HB SER 8 3.396 -9.533 -3.536
71 HG SER 8 HG SER 8 1.003 -8.600 -4.645
72 HA PRO 9 HA PRO 9 4.976 -6.212 0.349
73 HB2 PRO 9 2HB PRO 9 7.152 -7.839 -0.899
74 HB3 PRO 9 1HB PRO 9 7.001 -7.285 0.772
75 HG2 PRO 9 2HG PRO 9 6.436 -9.799 0.211
76 HG3 PRO 9 1HG PRO 9 5.371 -8.883 1.292
77 HD2 PRO 9 2HD PRO 9 4.960 -9.640 -1.572
78 HD3 PRO 9 1HD PRO 9 3.790 -9.570 -0.236
79 H GLU 10 H GLU 10 5.978 -7.199 -2.927
80 HA GLU 10 HA GLU 10 7.446 -4.910 -3.596
81 HB2 GLU 10 2HB GLU 10 5.902 -6.805 -5.361
82 HB3 GLU 10 1HB GLU 10 6.874 -5.495 -6.006
83 HG2 GLU 10 2HG GLU 10 8.074 -7.581 -6.137
84 HG3 GLU 10 1HG GLU 10 8.869 -6.508 -4.993
85 H GLU 11 H GLU 11 4.038 -5.628 -4.014
86 HA GLU 11 HA GLU 11 3.326 -3.205 -5.304
87 HB2 GLU 11 2HB GLU 11 1.617 -5.010 -3.596
88 HB3 GLU 11 1HB GLU 11 1.031 -3.783 -4.704
89 HG2 GLU 11 2HG GLU 11 1.980 -5.047 -6.571
90 HG3 GLU 11 1HG GLU 11 2.527 -6.277 -5.431
91 H CYS 12 H CYS 12 3.360 -4.327 -2.001
92 HA CYS 12 HA CYS 12 2.095 -2.245 -0.694
93 HB2 CYS 12 2HB CYS 12 2.779 -4.449 0.282
94 HB3 CYS 12 1HB CYS 12 4.434 -3.856 0.342
95 H ARG 13 H ARG 13 5.615 -2.669 -1.250
96 HA ARG 13 HA ARG 13 6.196 -0.106 -0.254
97 HB2 ARG 13 2HB ARG 13 7.914 -1.893 -0.350
98 HB3 ARG 13 1HB ARG 13 7.908 -1.784 -2.104
99 HG2 ARG 13 2HG ARG 13 9.816 -0.584 -1.141
100 HG3 ARG 13 1HG ARG 13 8.730 0.514 -1.990
101 HD2 ARG 13 2HD ARG 13 7.728 1.186 0.140
102 HD3 ARG 13 1HD ARG 13 8.781 0.084 1.009
103 HE ARG 13 HE ARG 13 9.660 2.472 -0.474
104 HH11 ARG 13 1HH1 ARG 13 10.112 0.182 2.228
105 HH12 ARG 13 2HH1 ARG 13 11.390 1.060 2.916
106 HH21 ARG 13 1HH2 ARG 13 11.370 3.668 0.500
107 HH22 ARG 13 2HH2 ARG 13 12.128 3.108 1.925
108 H LYS 14 H LYS 14 5.517 -1.344 -3.475
109 HA LYS 14 HA LYS 14 6.109 0.927 -4.950
110 HB2 LYS 14 2HB LYS 14 5.559 -1.111 -6.107
111 HB3 LYS 14 1HB LYS 14 3.978 -1.165 -5.358
112 HG2 LYS 14 2HG LYS 14 3.896 -0.522 -7.738
113 HG3 LYS 14 1HG LYS 14 3.216 0.705 -6.674
114 HD2 LYS 14 2HD LYS 14 4.570 1.711 -8.440
115 HD3 LYS 14 1HD LYS 14 5.294 1.999 -6.861
116 HE2 LYS 14 2HE LYS 14 6.870 0.182 -7.250
117 HE3 LYS 14 1HE LYS 14 6.127 -0.140 -8.815
118 HZ1 LYS 14 1HZ LYS 14 6.773 2.055 -9.533
119 HZ2 LYS 14 2HZ LYS 14 8.115 1.179 -9.036
120 HZ3 LYS 14 3HZ LYS 14 7.492 2.384 -8.036
121 H TYR 15 H TYR 15 3.038 0.103 -3.341
122 HA TYR 15 HA TYR 15 1.771 2.499 -4.081
123 HB2 TYR 15 2HB TYR 15 1.192 0.698 -1.726
124 HB3 TYR 15 1HB TYR 15 0.152 2.012 -2.259
125 HD1 TYR 15 1HD TYR 15 0.114 -1.294 -2.162
126 HD2 TYR 15 2HD TYR 15 0.080 1.734 -5.145
127 HE1 TYR 15 1HE TYR 15 -1.003 -2.833 -3.714
128 HE2 TYR 15 2HE TYR 15 -1.036 0.215 -6.693
129 HH TYR 15 HH TYR 15 -1.230 -2.249 -7.000
130 H LYS 16 H LYS 16 3.727 1.664 -1.283
131 HA LYS 16 HA LYS 16 3.373 4.110 0.053
132 HB2 LYS 16 2HB LYS 16 5.682 2.178 0.110
133 HB3 LYS 16 1HB LYS 16 5.594 3.600 1.139
134 HG2 LYS 16 2HG LYS 16 3.487 2.746 2.089
135 HG3 LYS 16 1HG LYS 16 3.658 1.305 1.093
136 HD2 LYS 16 2HD LYS 16 5.666 0.668 2.222
137 HD3 LYS 16 1HD LYS 16 5.729 2.206 3.084
138 HE2 LYS 16 2HE LYS 16 3.546 0.148 3.373
139 HE3 LYS 16 1HE LYS 16 4.893 0.357 4.491
140 HZ1 LYS 16 1HZ LYS 16 2.798 2.411 3.912
141 HZ2 LYS 16 2HZ LYS 16 4.115 2.618 4.917
142 HZ3 LYS 16 3HZ LYS 16 2.950 1.494 5.317
143 H GLU 17 H GLU 17 5.826 3.127 -2.280
144 HA GLU 17 HA GLU 17 7.252 5.554 -2.351
145 HB2 GLU 17 2HB GLU 17 6.880 3.432 -4.461
146 HB3 GLU 17 1HB GLU 17 8.044 4.741 -4.563
147 HG2 GLU 17 2HG GLU 17 8.001 2.648 -2.409
148 HG3 GLU 17 1HG GLU 17 9.024 2.591 -3.840
149 H GLU 18 H GLU 18 4.587 4.322 -4.291
150 HA GLU 18 HA GLU 18 4.518 6.381 -6.203
151 HB2 GLU 18 2HB GLU 18 3.537 4.055 -6.364
152 HB3 GLU 18 1HB GLU 18 2.218 4.631 -5.362
153 HG2 GLU 18 2HG GLU 18 1.475 4.711 -7.600
154 HG3 GLU 18 1HG GLU 18 1.785 6.376 -7.109
155 H TYR 19 H TYR 19 2.609 5.865 -3.243
156 HA TYR 19 HA TYR 19 1.285 8.407 -3.822
157 HB2 TYR 19 2HB TYR 19 0.366 6.125 -2.100
158 HB3 TYR 19 1HB TYR 19 -0.481 7.658 -2.262
159 HD1 TYR 19 1HD TYR 19 -1.197 8.347 -4.641
160 HD2 TYR 19 2HD TYR 19 -0.074 4.378 -3.597
161 HE1 TYR 19 1HE TYR 19 -2.390 7.504 -6.607
162 HE2 TYR 19 2HE TYR 19 -1.262 3.519 -5.570
163 HH TYR 19 HH TYR 19 -3.183 4.297 -7.026
164 H DSG 20 H DAS 20 2.359 6.690 -0.849
165 HA DSG 20 HA DAS 20 2.471 9.352 0.363
166 HB2 DSG 20 1HB DAS 20 4.577 7.206 0.717
167 HB3 DSG 20 2HB DAS 20 4.449 8.619 1.752
168 HD21 DSG 20 1HD2 DAS 20 5.369 7.440 -1.315
169 HD22 DSG 20 2HD2 DAS 20 6.157 8.856 -1.907
170 H CYS 21 H CYS 21 0.762 9.310 1.600
171 HA CYS 21 HA CYS 21 0.746 7.676 3.928
172 HB2 CYS 21 2HB CYS 21 -0.037 10.009 4.002
173 HB3 CYS 21 1HB CYS 21 -1.346 9.606 2.904
174 H VAL 22 H VAL 22 0.483 5.574 3.327
175 HA VAL 22 HA VAL 22 -2.196 4.830 2.580
176 HB VAL 22 HB VAL 22 -1.424 3.095 0.959
177 HG11 VAL 22 1HG1 VAL 22 -0.674 5.890 0.138
178 HG12 VAL 22 2HG1 VAL 22 -2.293 5.209 0.124
179 HG13 VAL 22 3HG1 VAL 22 -1.057 4.559 -0.957
180 HG21 VAL 22 1HG2 VAL 22 0.786 3.262 -0.073
181 HG22 VAL 22 2HG2 VAL 22 0.905 2.864 1.645
182 HG23 VAL 22 3HG2 VAL 22 1.239 4.508 1.092
183 H ARG 23 H ARG 23 -2.930 3.290 3.798
184 HA ARG 23 HA ARG 23 -1.110 1.962 5.619
185 HB2 ARG 23 2HB ARG 23 -4.122 1.857 5.414
186 HB3 ARG 23 1HB ARG 23 -3.185 0.991 6.615
187 HG2 ARG 23 2HG ARG 23 -2.377 3.138 7.492
188 HG3 ARG 23 1HG ARG 23 -3.390 3.982 6.322
189 HD2 ARG 23 2HD ARG 23 -4.306 2.123 8.518
190 HD3 ARG 23 1HD ARG 23 -4.540 3.868 8.461
191 HE ARG 23 HE ARG 23 -5.766 3.150 6.250
192 HH11 ARG 23 1HH1 ARG 23 -5.980 1.772 9.481
193 HH12 ARG 23 2HH1 ARG 23 -7.525 1.100 9.274
194 HH21 ARG 23 1HH2 ARG 23 -7.899 2.270 5.957
195 HH22 ARG 23 2HH2 ARG 23 -8.693 1.445 7.232
196 H CYS 24 H CYS 24 -0.120 0.313 4.824
197 HA CYS 24 HA CYS 24 -1.435 -1.337 2.837
198 HB2 CYS 24 2HB CYS 24 0.758 -0.481 2.260
199 HB3 CYS 24 1HB CYS 24 1.437 -1.164 3.731
200 H THR 25 H THR 25 -2.576 -2.962 3.697
201 HA THR 25 HA THR 25 -1.510 -4.311 6.048
202 HB THR 25 HB THR 25 -4.276 -4.537 4.843
203 HG1 THR 25 1HG THR 25 -3.160 -2.602 6.537
204 HG21 THR 25 1HG2 THR 25 -3.560 -6.338 6.360
205 HG22 THR 25 2HG2 THR 25 -4.861 -5.374 7.054
206 HG23 THR 25 3HG2 THR 25 -3.202 -5.138 7.605
207 H GLU 26 H GLU 26 -0.455 -6.151 5.516
208 HA GLU 26 HA GLU 26 -1.240 -7.569 3.088
209 HB2 GLU 26 2HB GLU 26 1.226 -6.898 3.649
210 HB3 GLU 26 1HB GLU 26 1.143 -8.137 4.882
211 HG2 GLU 26 2HG GLU 26 0.720 -8.673 1.942
212 HG3 GLU 26 1HG GLU 26 2.280 -8.786 2.736
Start of MODEL 7
1 H1 CYS 1 1HT CYS 1 -4.461 9.190 4.126
2 H2 CYS 1 2HT CYS 1 -5.645 8.003 4.413
3 H3 CYS 1 3HT CYS 1 -5.495 8.688 2.893
4 HA CYS 1 HA CYS 1 -3.392 7.709 2.562
5 HB2 CYS 1 2HB CYS 1 -3.788 6.443 5.294
6 HB3 CYS 1 1HB CYS 1 -2.411 6.239 4.224
7 H GLN 2 H GLN 2 -4.064 6.402 0.997
8 HA GLN 2 HA GLN 2 -6.391 4.836 0.994
9 HB2 GLN 2 2HB GLN 2 -3.910 4.734 -0.709
10 HB3 GLN 2 1HB GLN 2 -5.274 3.663 -0.976
11 HG2 GLN 2 2HG GLN 2 -5.394 6.670 -1.050
12 HG3 GLN 2 1HG GLN 2 -5.285 5.615 -2.462
13 HE21 GLN 2 1HE2 GLN 2 -7.369 7.477 -1.799
14 HE22 GLN 2 2HE2 GLN 2 -8.826 6.561 -1.661
15 H THR 3 H THR 3 -6.831 2.751 1.561
16 HA THR 3 HA THR 3 -4.611 1.258 2.728
17 HB THR 3 HB THR 3 -7.591 0.872 3.151
18 HG1 THR 3 1HG THR 3 -6.647 2.800 3.996
19 HG21 THR 3 1HG2 THR 3 -6.282 -1.202 3.484
20 HG22 THR 3 2HG2 THR 3 -6.895 -0.587 5.020
21 HG23 THR 3 3HG2 THR 3 -5.204 -0.342 4.583
22 H TRP 4 H TRP 4 -3.820 -0.297 1.607
23 HA TRP 4 HA TRP 4 -5.339 -1.413 -0.615
24 HB2 TRP 4 2HB TRP 4 -2.393 -1.656 0.011
25 HB3 TRP 4 1HB TRP 4 -3.204 -2.137 -1.481
26 HD1 TRP 4 HD TRP 4 -1.720 0.824 0.267
27 HE1 TRP 4 1HE TRP 4 -1.861 2.883 -1.256
28 HE3 TRP 4 3HE TRP 4 -4.722 -1.078 -3.378
29 HZ2 TRP 4 2HZ TRP 4 -3.059 3.612 -3.657
30 HZ3 TRP 4 3HZ TRP 4 -5.335 0.375 -5.281
31 HH2 TRP 4 HH TRP 4 -4.519 2.676 -5.417
32 H ARG 5 H ARG 5 -6.380 -3.157 -0.108
33 HA ARG 5 HA ARG 5 -5.373 -4.757 2.087
34 HB2 ARG 5 2HB ARG 5 -8.111 -4.707 0.825
35 HB3 ARG 5 1HB ARG 5 -7.644 -5.700 2.201
36 HG2 ARG 5 2HG ARG 5 -7.143 -3.665 3.488
37 HG3 ARG 5 1HG ARG 5 -7.671 -2.688 2.119
38 HD2 ARG 5 2HD ARG 5 -9.432 -2.865 3.765
39 HD3 ARG 5 1HD ARG 5 -9.891 -3.698 2.279
40 HE ARG 5 HE ARG 5 -8.783 -5.159 4.574
41 HH11 ARG 5 1HH1 ARG 5 -11.392 -4.635 2.250
42 HH12 ARG 5 2HH1 ARG 5 -12.253 -6.028 2.665
43 HH21 ARG 5 1HH2 ARG 5 -9.994 -7.087 5.195
44 HH22 ARG 5 2HH2 ARG 5 -11.443 -7.452 4.398
45 H DAR 6 H DAR 6 -4.281 -6.461 1.633
46 HA DAR 6 HA DAR 6 -5.182 -8.316 -0.384
47 HB2 DAR 6 1HB DAR 6 -2.899 -8.466 1.583
48 HB3 DAR 6 2HB DAR 6 -3.398 -9.772 0.514
49 HG2 DAR 6 1HG DAR 6 -5.532 -9.922 1.618
50 HG3 DAR 6 2HG DAR 6 -5.139 -8.532 2.631
51 HD2 DAR 6 1HD DAR 6 -3.309 -9.765 3.649
52 HD3 DAR 6 2HD DAR 6 -3.647 -11.150 2.609
53 HE DAR 6 HE DAR 6 -5.959 -10.961 3.747
54 HH11 DAR 6 1HH2 DAR 6 -6.641 -11.845 5.806
55 HH12 DAR 6 2HH2 DAR 6 -5.554 -11.891 7.107
56 HH21 DAR 6 1HH1 DAR 6 -2.814 -10.440 5.395
57 HH22 DAR 6 2HH1 DAR 6 -3.379 -11.081 6.863
58 H VAL 7 H VAL 7 -2.040 -6.806 0.380
59 HA VAL 7 HA VAL 7 -1.313 -7.115 -2.419
60 HB VAL 7 HB VAL 7 -0.212 -4.873 -2.394
61 HG11 VAL 7 1HG1 VAL 7 -2.257 -3.539 -2.642
62 HG12 VAL 7 2HG1 VAL 7 -3.173 -4.841 -1.884
63 HG13 VAL 7 3HG1 VAL 7 -2.368 -5.112 -3.430
64 HG21 VAL 7 1HG2 VAL 7 -0.845 -3.222 -0.692
65 HG22 VAL 7 2HG2 VAL 7 0.031 -4.575 0.030
66 HG23 VAL 7 3HG2 VAL 7 -1.723 -4.467 0.192
67 H SER 8 H SER 8 0.807 -7.582 -2.783
68 HA SER 8 HA SER 8 2.196 -8.732 -0.585
69 HB2 SER 8 2HB SER 8 3.923 -9.268 -2.370
70 HB3 SER 8 1HB SER 8 2.294 -9.836 -2.728
71 HG SER 8 HG SER 8 2.014 -8.133 -4.123
72 HA PRO 9 HA PRO 9 5.036 -5.686 0.979
73 HB2 PRO 9 2HB PRO 9 7.216 -7.319 -0.260
74 HB3 PRO 9 1HB PRO 9 7.135 -6.597 1.353
75 HG2 PRO 9 2HG PRO 9 6.634 -9.167 1.053
76 HG3 PRO 9 1HG PRO 9 5.628 -8.187 2.133
77 HD2 PRO 9 2HD PRO 9 5.003 -9.283 -0.558
78 HD3 PRO 9 1HD PRO 9 3.932 -8.995 0.824
79 H GLU 10 H GLU 10 6.054 -6.756 -2.295
80 HA GLU 10 HA GLU 10 7.283 -4.247 -2.808
81 HB2 GLU 10 2HB GLU 10 6.472 -6.369 -4.767
82 HB3 GLU 10 1HB GLU 10 7.372 -4.922 -5.190
83 HG2 GLU 10 2HG GLU 10 9.050 -5.653 -3.462
84 HG3 GLU 10 1HG GLU 10 8.237 -7.218 -3.485
85 H GLU 11 H GLU 11 4.092 -5.507 -3.498
86 HA GLU 11 HA GLU 11 3.234 -3.376 -5.124
87 HB2 GLU 11 2HB GLU 11 1.687 -5.115 -3.212
88 HB3 GLU 11 1HB GLU 11 0.934 -3.964 -4.305
89 HG2 GLU 11 2HG GLU 11 1.794 -5.211 -6.201
90 HG3 GLU 11 1HG GLU 11 2.581 -6.344 -5.100
91 H CYS 12 H CYS 12 2.993 -3.965 -1.673
92 HA CYS 12 HA CYS 12 1.785 -1.575 -0.919
93 HB2 CYS 12 2HB CYS 12 2.020 -3.480 0.599
94 HB3 CYS 12 1HB CYS 12 3.765 -3.252 0.628
95 H ARG 13 H ARG 13 5.238 -2.386 -1.173
96 HA ARG 13 HA ARG 13 6.289 0.055 -0.328
97 HB2 ARG 13 2HB ARG 13 7.579 -2.048 -0.652
98 HB3 ARG 13 1HB ARG 13 7.441 -1.826 -2.387
99 HG2 ARG 13 2HG ARG 13 8.644 0.330 -2.158
100 HG3 ARG 13 1HG ARG 13 8.892 -0.036 -0.449
101 HD2 ARG 13 2HD ARG 13 10.865 -0.683 -1.651
102 HD3 ARG 13 1HD ARG 13 10.014 -2.139 -1.129
103 HE ARG 13 HE ARG 13 9.680 -1.066 -3.832
104 HH11 ARG 13 1HH1 ARG 13 10.692 -3.732 -1.724
105 HH12 ARG 13 2HH1 ARG 13 10.811 -4.885 -2.962
106 HH21 ARG 13 1HH2 ARG 13 9.866 -2.660 -5.577
107 HH22 ARG 13 2HH2 ARG 13 10.290 -4.270 -5.204
108 H LYS 14 H LYS 14 5.350 -1.069 -3.559
109 HA LYS 14 HA LYS 14 6.264 1.300 -4.796
110 HB2 LYS 14 2HB LYS 14 6.158 -0.864 -5.965
111 HB3 LYS 14 1HB LYS 14 4.404 -0.804 -5.904
112 HG2 LYS 14 2HG LYS 14 4.374 1.138 -7.307
113 HG3 LYS 14 1HG LYS 14 6.130 1.244 -7.259
114 HD2 LYS 14 2HD LYS 14 6.247 -0.969 -8.369
115 HD3 LYS 14 1HD LYS 14 4.485 -0.954 -8.501
116 HE2 LYS 14 2HE LYS 14 5.585 -0.199 -10.568
117 HE3 LYS 14 1HE LYS 14 4.565 1.048 -9.852
118 HZ1 LYS 14 1HZ LYS 14 6.560 2.078 -8.909
119 HZ2 LYS 14 2HZ LYS 14 6.690 1.952 -10.579
120 HZ3 LYS 14 3HZ LYS 14 7.524 0.876 -9.590
121 H TYR 15 H TYR 15 3.159 0.296 -3.497
122 HA TYR 15 HA TYR 15 1.747 2.536 -4.508
123 HB2 TYR 15 2HB TYR 15 1.179 0.831 -2.070
124 HB3 TYR 15 1HB TYR 15 0.134 2.142 -2.586
125 HD1 TYR 15 1HD TYR 15 -0.316 1.877 -5.355
126 HD2 TYR 15 2HD TYR 15 0.311 -1.224 -2.529
127 HE1 TYR 15 1HE TYR 15 -1.578 0.337 -6.784
128 HE2 TYR 15 2HE TYR 15 -0.936 -2.788 -3.958
129 HH TYR 15 HH TYR 15 -2.640 -2.728 -5.707
130 H LYS 16 H LYS 16 3.712 2.021 -1.666
131 HA LYS 16 HA LYS 16 3.263 4.570 -0.479
132 HB2 LYS 16 2HB LYS 16 5.688 2.773 -0.315
133 HB3 LYS 16 1HB LYS 16 5.416 4.183 0.693
134 HG2 LYS 16 2HG LYS 16 3.474 3.128 1.676
135 HG3 LYS 16 1HG LYS 16 3.687 1.729 0.619
136 HD2 LYS 16 2HD LYS 16 5.880 1.314 1.609
137 HD3 LYS 16 1HD LYS 16 5.670 2.712 2.663
138 HE2 LYS 16 2HE LYS 16 3.733 1.661 3.688
139 HE3 LYS 16 1HE LYS 16 3.905 0.275 2.613
140 HZ1 LYS 16 1HZ LYS 16 5.891 1.158 4.623
141 HZ2 LYS 16 2HZ LYS 16 6.046 -0.186 3.603
142 HZ3 LYS 16 3HZ LYS 16 4.836 -0.141 4.774
143 H GLU 17 H GLU 17 5.652 3.321 -2.708
144 HA GLU 17 HA GLU 17 7.261 5.531 -3.142
145 HB2 GLU 17 2HB GLU 17 7.747 3.323 -4.036
146 HB3 GLU 17 1HB GLU 17 6.306 3.380 -5.031
147 HG2 GLU 17 2HG GLU 17 7.288 5.126 -6.391
148 HG3 GLU 17 1HG GLU 17 8.721 5.139 -5.363
149 H GLU 18 H GLU 18 4.205 4.672 -4.599
150 HA GLU 18 HA GLU 18 4.128 6.954 -6.307
151 HB2 GLU 18 2HB GLU 18 3.160 4.836 -6.986
152 HB3 GLU 18 1HB GLU 18 2.037 4.894 -5.641
153 HG2 GLU 18 2HG GLU 18 0.984 5.487 -7.766
154 HG3 GLU 18 1HG GLU 18 0.925 6.807 -6.602
155 H TYR 19 H TYR 19 2.190 6.011 -3.414
156 HA TYR 19 HA TYR 19 0.951 8.656 -3.619
157 HB2 TYR 19 2HB TYR 19 -0.029 6.218 -2.179
158 HB3 TYR 19 1HB TYR 19 -0.873 7.756 -2.280
159 HD1 TYR 19 1HD TYR 19 -0.437 4.573 -3.757
160 HD2 TYR 19 2HD TYR 19 -1.373 8.613 -4.689
161 HE1 TYR 19 1HE TYR 19 -1.451 3.842 -5.855
162 HE2 TYR 19 2HE TYR 19 -2.397 7.901 -6.791
163 HH TYR 19 HH TYR 19 -3.094 4.659 -7.512
164 H DSG 20 H DAS 20 3.314 7.266 -1.639
165 HA DSG 20 HA DAS 20 2.873 9.449 0.214
166 HB2 DSG 20 1HB DAS 20 5.174 7.491 0.092
167 HB3 DSG 20 2HB DAS 20 5.071 8.851 1.204
168 HD21 DSG 20 1HD2 DAS 20 7.089 8.324 -0.812
169 HD22 DSG 20 2HD2 DAS 20 7.021 9.682 -1.885
170 H CYS 21 H CYS 21 1.280 9.010 1.556
171 HA CYS 21 HA CYS 21 1.773 6.950 3.526
172 HB2 CYS 21 2HB CYS 21 1.195 9.215 4.322
173 HB3 CYS 21 1HB CYS 21 -0.338 9.117 3.467
174 H VAL 22 H VAL 22 1.075 5.006 2.935
175 HA VAL 22 HA VAL 22 -1.751 4.772 2.420
176 HB VAL 22 HB VAL 22 -1.461 3.008 0.712
177 HG11 VAL 22 1HG1 VAL 22 -0.164 5.598 -0.051
178 HG12 VAL 22 2HG1 VAL 22 -1.885 5.224 -0.092
179 HG13 VAL 22 3HG1 VAL 22 -0.772 4.400 -1.190
180 HG21 VAL 22 1HG2 VAL 22 1.462 3.738 0.754
181 HG22 VAL 22 2HG2 VAL 22 0.667 2.713 -0.439
182 HG23 VAL 22 3HG2 VAL 22 0.757 2.189 1.249
183 H ARG 23 H ARG 23 -2.603 2.770 3.046
184 HA ARG 23 HA ARG 23 -1.005 1.518 5.180
185 HB2 ARG 23 2HB ARG 23 -3.087 2.794 5.819
186 HB3 ARG 23 1HB ARG 23 -4.013 1.669 4.848
187 HG2 ARG 23 2HG ARG 23 -3.299 -0.167 6.300
188 HG3 ARG 23 1HG ARG 23 -2.393 0.985 7.286
189 HD2 ARG 23 2HD ARG 23 -4.520 2.205 7.707
190 HD3 ARG 23 1HD ARG 23 -5.371 0.931 6.839
191 HE ARG 23 HE ARG 23 -3.790 -0.184 8.871
192 HH11 ARG 23 1HH1 ARG 23 -6.876 1.502 8.384
193 HH12 ARG 23 2HH1 ARG 23 -7.519 1.086 9.893
194 HH21 ARG 23 1HH2 ARG 23 -4.696 -0.764 10.958
195 HH22 ARG 23 2HH2 ARG 23 -6.255 -0.250 11.389
196 H CYS 24 H CYS 24 -0.819 -0.747 5.068
197 HA CYS 24 HA CYS 24 -2.139 -1.988 2.752
198 HB2 CYS 24 2HB CYS 24 0.616 -2.596 3.819
199 HB3 CYS 24 1HB CYS 24 -0.149 -3.322 2.415
200 H THR 25 H THR 25 -3.116 -3.899 3.147
201 HA THR 25 HA THR 25 -3.055 -4.925 5.853
202 HB THR 25 HB THR 25 -4.558 -5.988 3.453
203 HG1 THR 25 1HG THR 25 -5.036 -3.911 5.287
204 HG21 THR 25 1HG2 THR 25 -4.996 -6.308 6.429
205 HG22 THR 25 2HG2 THR 25 -4.385 -7.554 5.340
206 HG23 THR 25 3HG2 THR 25 -6.038 -6.961 5.168
207 H GLU 26 H GLU 26 -1.415 -6.126 6.349
208 HA GLU 26 HA GLU 26 -0.014 -7.666 4.364
209 HB2 GLU 26 2HB GLU 26 1.163 -6.250 6.036
210 HB3 GLU 26 1HB GLU 26 0.548 -7.296 7.304
211 HG2 GLU 26 2HG GLU 26 1.759 -9.182 6.307
212 HG3 GLU 26 1HG GLU 26 2.407 -8.089 5.084
Start of MODEL 8
1 H1 CYS 1 1HT CYS 1 -5.444 8.853 4.082
2 H2 CYS 1 2HT CYS 1 -6.096 7.349 4.553
3 H3 CYS 1 3HT CYS 1 -6.681 8.121 3.176
4 HA CYS 1 HA CYS 1 -4.615 7.829 2.093
5 HB2 CYS 1 2HB CYS 1 -3.789 6.346 4.624
6 HB3 CYS 1 1HB CYS 1 -2.816 6.566 3.180
7 H GLN 2 H GLN 2 -4.668 6.028 0.712
8 HA GLN 2 HA GLN 2 -6.833 4.253 0.918
9 HB2 GLN 2 2HB GLN 2 -4.389 4.184 -0.845
10 HB3 GLN 2 1HB GLN 2 -5.583 2.906 -0.889
11 HG2 GLN 2 2HG GLN 2 -5.962 4.440 -2.704
12 HG3 GLN 2 1HG GLN 2 -7.287 4.556 -1.557
13 HE21 GLN 2 1HE2 GLN 2 -7.595 6.447 -0.447
14 HE22 GLN 2 2HE2 GLN 2 -6.757 7.902 -0.833
15 H THR 3 H THR 3 -7.070 2.327 1.724
16 HA THR 3 HA THR 3 -4.793 1.228 3.141
17 HB THR 3 HB THR 3 -7.747 0.795 3.632
18 HG1 THR 3 1HG THR 3 -7.227 2.851 4.176
19 HG21 THR 3 1HG2 THR 3 -6.328 -1.081 4.393
20 HG22 THR 3 2HG2 THR 3 -6.988 -0.187 5.764
21 HG23 THR 3 3HG2 THR 3 -5.311 0.054 5.278
22 H TRP 4 H TRP 4 -3.868 -0.110 1.839
23 HA TRP 4 HA TRP 4 -5.272 -1.813 -0.012
24 HB2 TRP 4 2HB TRP 4 -2.340 -1.775 0.767
25 HB3 TRP 4 1HB TRP 4 -3.037 -2.570 -0.639
26 HD1 TRP 4 HD TRP 4 -1.914 0.816 0.636
27 HE1 TRP 4 1HE TRP 4 -1.926 2.503 -1.312
28 HE3 TRP 4 3HE TRP 4 -4.228 -2.038 -2.914
29 HZ2 TRP 4 2HZ TRP 4 -2.785 2.616 -3.969
30 HZ3 TRP 4 3HZ TRP 4 -4.600 -1.066 -5.143
31 HH2 TRP 4 HH TRP 4 -3.894 1.216 -5.658
32 H ARG 5 H ARG 5 -5.637 -3.947 0.334
33 HA ARG 5 HA ARG 5 -4.688 -5.113 2.838
34 HB2 ARG 5 2HB ARG 5 -7.556 -5.016 1.890
35 HB3 ARG 5 1HB ARG 5 -6.990 -6.073 3.170
36 HG2 ARG 5 2HG ARG 5 -6.403 -4.172 4.536
37 HG3 ARG 5 1HG ARG 5 -6.819 -3.065 3.225
38 HD2 ARG 5 2HD ARG 5 -8.746 -4.958 4.563
39 HD3 ARG 5 1HD ARG 5 -8.564 -3.257 4.979
40 HE ARG 5 HE ARG 5 -9.079 -3.030 2.414
41 HH11 ARG 5 1HH1 ARG 5 -10.680 -5.215 4.710
42 HH12 ARG 5 2HH1 ARG 5 -12.196 -5.099 3.957
43 HH21 ARG 5 1HH2 ARG 5 -11.145 -2.889 1.403
44 HH22 ARG 5 2HH2 ARG 5 -12.485 -3.746 2.047
45 H DAR 6 H DAR 6 -3.373 -6.610 1.892
46 HA DAR 6 HA DAR 6 -4.845 -8.677 0.433
47 HB2 DAR 6 1HB DAR 6 -2.214 -8.807 1.875
48 HB3 DAR 6 2HB DAR 6 -2.879 -10.148 0.954
49 HG2 DAR 6 1HG DAR 6 -4.829 -10.180 2.465
50 HG3 DAR 6 2HG DAR 6 -4.096 -8.870 3.393
51 HD2 DAR 6 1HD DAR 6 -2.182 -10.269 3.909
52 HD3 DAR 6 2HD DAR 6 -2.848 -11.574 2.930
53 HE DAR 6 HE DAR 6 -4.765 -10.950 4.798
54 HH11 DAR 6 1HH2 DAR 6 -5.059 -12.246 6.765
55 HH12 DAR 6 2HH2 DAR 6 -3.744 -13.126 7.375
56 HH21 DAR 6 1HH1 DAR 6 -1.409 -12.104 4.920
57 HH22 DAR 6 2HH1 DAR 6 -1.649 -13.040 6.321
58 H VAL 7 H VAL 7 -1.680 -7.056 0.238
59 HA VAL 7 HA VAL 7 -1.809 -7.514 -2.670
60 HB VAL 7 HB VAL 7 -0.561 -5.382 -2.996
61 HG11 VAL 7 1HG1 VAL 7 -2.980 -5.376 -3.234
62 HG12 VAL 7 2HG1 VAL 7 -2.423 -3.849 -2.550
63 HG13 VAL 7 3HG1 VAL 7 -3.165 -5.063 -1.508
64 HG21 VAL 7 1HG2 VAL 7 -1.060 -4.955 -0.046
65 HG22 VAL 7 2HG2 VAL 7 -0.399 -3.756 -1.158
66 HG23 VAL 7 3HG2 VAL 7 0.507 -5.228 -0.804
67 H SER 8 H SER 8 0.526 -7.228 -3.663
68 HA SER 8 HA SER 8 2.180 -9.055 -2.177
69 HB2 SER 8 2HB SER 8 2.881 -7.597 -4.727
70 HB3 SER 8 1HB SER 8 3.495 -9.150 -4.156
71 HG SER 8 HG SER 8 1.058 -8.466 -5.289
72 HA PRO 9 HA PRO 9 4.670 -6.041 0.059
73 HB2 PRO 9 2HB PRO 9 6.946 -7.655 -1.024
74 HB3 PRO 9 1HB PRO 9 6.654 -7.100 0.630
75 HG2 PRO 9 2HG PRO 9 6.169 -9.620 -0.015
76 HG3 PRO 9 1HG PRO 9 5.046 -8.735 1.034
77 HD2 PRO 9 2HD PRO 9 4.765 -9.492 -1.835
78 HD3 PRO 9 1HD PRO 9 3.531 -9.374 -0.565
79 H GLU 10 H GLU 10 5.838 -7.049 -3.124
80 HA GLU 10 HA GLU 10 7.426 -4.890 -3.880
81 HB2 GLU 10 2HB GLU 10 7.256 -6.940 -5.152
82 HB3 GLU 10 1HB GLU 10 5.567 -6.622 -5.500
83 HG2 GLU 10 2HG GLU 10 6.267 -4.644 -6.809
84 HG3 GLU 10 1HG GLU 10 7.950 -5.099 -6.520
85 H GLU 11 H GLU 11 3.993 -5.446 -4.470
86 HA GLU 11 HA GLU 11 3.441 -3.030 -5.773
87 HB2 GLU 11 2HB GLU 11 1.583 -4.820 -4.211
88 HB3 GLU 11 1HB GLU 11 1.094 -3.585 -5.362
89 HG2 GLU 11 2HG GLU 11 2.147 -4.807 -7.163
90 HG3 GLU 11 1HG GLU 11 2.723 -6.025 -6.031
91 H CYS 12 H CYS 12 3.015 -4.075 -2.423
92 HA CYS 12 HA CYS 12 1.890 -1.754 -1.397
93 HB2 CYS 12 2HB CYS 12 1.931 -3.703 -0.015
94 HB3 CYS 12 1HB CYS 12 3.688 -3.786 -0.077
95 H ARG 13 H ARG 13 5.349 -2.589 -1.699
96 HA ARG 13 HA ARG 13 6.252 -0.244 -0.434
97 HB2 ARG 13 2HB ARG 13 7.592 -2.350 -0.832
98 HB3 ARG 13 1HB ARG 13 7.747 -1.844 -2.507
99 HG2 ARG 13 2HG ARG 13 9.747 -1.238 -1.317
100 HG3 ARG 13 1HG ARG 13 8.863 0.226 -1.741
101 HD2 ARG 13 2HD ARG 13 7.951 0.366 0.519
102 HD3 ARG 13 1HD ARG 13 8.760 -1.137 0.955
103 HE ARG 13 HE ARG 13 10.660 0.641 0.003
104 HH11 ARG 13 1HH1 ARG 13 8.548 0.304 2.845
105 HH12 ARG 13 2HH1 ARG 13 9.560 1.207 3.861
106 HH21 ARG 13 1HH2 ARG 13 12.048 1.857 1.447
107 HH22 ARG 13 2HH2 ARG 13 11.566 2.112 3.056
108 H LYS 14 H LYS 14 5.622 -1.091 -3.791
109 HA LYS 14 HA LYS 14 6.489 1.267 -4.999
110 HB2 LYS 14 2HB LYS 14 5.997 -0.669 -6.346
111 HB3 LYS 14 1HB LYS 14 4.347 -0.719 -5.766
112 HG2 LYS 14 2HG LYS 14 4.489 0.076 -8.072
113 HG3 LYS 14 1HG LYS 14 3.815 1.298 -7.002
114 HD2 LYS 14 2HD LYS 14 5.942 2.479 -6.973
115 HD3 LYS 14 1HD LYS 14 6.684 1.213 -7.960
116 HE2 LYS 14 2HE LYS 14 5.153 1.712 -9.783
117 HE3 LYS 14 1HE LYS 14 4.345 2.924 -8.798
118 HZ1 LYS 14 1HZ LYS 14 5.961 3.732 -10.472
119 HZ2 LYS 14 2HZ LYS 14 7.222 3.129 -9.513
120 HZ3 LYS 14 3HZ LYS 14 6.170 4.346 -8.934
121 H TYR 15 H TYR 15 3.279 0.391 -3.738
122 HA TYR 15 HA TYR 15 2.070 2.834 -4.421
123 HB2 TYR 15 2HB TYR 15 1.286 0.959 -2.172
124 HB3 TYR 15 1HB TYR 15 0.277 2.239 -2.833
125 HD1 TYR 15 1HD TYR 15 -0.018 -0.943 -2.630
126 HD2 TYR 15 2HD TYR 15 0.850 1.785 -5.782
127 HE1 TYR 15 1HE TYR 15 -0.898 -2.548 -4.264
128 HE2 TYR 15 2HE TYR 15 -0.033 0.196 -7.409
129 HH TYR 15 HH TYR 15 -0.333 -2.262 -7.546
130 H LYS 16 H LYS 16 3.724 1.794 -1.512
131 HA LYS 16 HA LYS 16 3.283 4.083 0.055
132 HB2 LYS 16 2HB LYS 16 5.541 2.086 0.068
133 HB3 LYS 16 1HB LYS 16 5.409 3.395 1.233
134 HG2 LYS 16 2HG LYS 16 3.320 2.487 2.076
135 HG3 LYS 16 1HG LYS 16 3.327 1.255 0.821
136 HD2 LYS 16 2HD LYS 16 4.070 0.398 3.027
137 HD3 LYS 16 1HD LYS 16 5.288 0.218 1.768
138 HE2 LYS 16 2HE LYS 16 6.306 0.960 3.840
139 HE3 LYS 16 1HE LYS 16 6.444 2.200 2.605
140 HZ1 LYS 16 1HZ LYS 16 4.526 2.175 4.882
141 HZ2 LYS 16 2HZ LYS 16 4.537 3.338 3.673
142 HZ3 LYS 16 3HZ LYS 16 5.851 3.191 4.689
143 H GLU 17 H GLU 17 5.924 3.342 -2.167
144 HA GLU 17 HA GLU 17 7.196 5.850 -1.615
145 HB2 GLU 17 2HB GLU 17 7.744 3.754 -3.707
146 HB3 GLU 17 1HB GLU 17 8.738 5.179 -3.443
147 HG2 GLU 17 2HG GLU 17 8.216 3.016 -1.409
148 HG3 GLU 17 1HG GLU 17 9.677 3.175 -2.382
149 H GLU 18 H GLU 18 4.779 4.816 -3.808
150 HA GLU 18 HA GLU 18 5.316 7.013 -5.605
151 HB2 GLU 18 2HB GLU 18 4.585 4.712 -6.369
152 HB3 GLU 18 1HB GLU 18 2.983 5.129 -5.778
153 HG2 GLU 18 2HG GLU 18 3.142 5.513 -8.161
154 HG3 GLU 18 1HG GLU 18 2.926 7.043 -7.302
155 H TYR 19 H TYR 19 2.658 6.025 -3.428
156 HA TYR 19 HA TYR 19 1.281 8.523 -4.042
157 HB2 TYR 19 2HB TYR 19 0.387 6.102 -2.502
158 HB3 TYR 19 1HB TYR 19 -0.585 7.549 -2.712
159 HD1 TYR 19 1HD TYR 19 0.580 4.474 -4.209
160 HD2 TYR 19 2HD TYR 19 -1.405 8.151 -4.973
161 HE1 TYR 19 1HE TYR 19 -0.318 3.549 -6.298
162 HE2 TYR 19 2HE TYR 19 -2.304 7.248 -7.058
163 HH TYR 19 HH TYR 19 -1.819 5.507 -8.651
164 H DSG 20 H DAS 20 3.381 7.386 -1.658
165 HA DSG 20 HA DAS 20 2.641 9.671 -0.027
166 HB2 DSG 20 1HB DAS 20 5.079 7.892 0.061
167 HB3 DSG 20 2HB DAS 20 4.782 9.184 1.215
168 HD21 DSG 20 1HD2 DAS 20 4.921 11.322 0.533
169 HD22 DSG 20 2HD2 DAS 20 5.737 11.763 -0.918
170 H CYS 21 H CYS 21 1.105 9.290 1.353
171 HA CYS 21 HA CYS 21 1.484 7.216 3.312
172 HB2 CYS 21 2HB CYS 21 0.859 9.400 4.132
173 HB3 CYS 21 1HB CYS 21 -0.552 9.433 3.086
174 H VAL 22 H VAL 22 0.894 5.258 2.643
175 HA VAL 22 HA VAL 22 -1.924 4.881 2.114
176 HB VAL 22 HB VAL 22 -1.463 3.023 0.517
177 HG11 VAL 22 1HG1 VAL 22 -0.330 5.643 -0.410
178 HG12 VAL 22 2HG1 VAL 22 -2.024 5.150 -0.444
179 HG13 VAL 22 3HG1 VAL 22 -0.844 4.320 -1.458
180 HG21 VAL 22 1HG2 VAL 22 0.758 2.796 -0.522
181 HG22 VAL 22 2HG2 VAL 22 0.780 2.435 1.207
182 HG23 VAL 22 3HG2 VAL 22 1.379 3.988 0.623
183 H ARG 23 H ARG 23 -2.624 2.817 2.929
184 HA ARG 23 HA ARG 23 -0.731 1.901 4.988
185 HB2 ARG 23 2HB ARG 23 -3.745 1.899 5.144
186 HB3 ARG 23 1HB ARG 23 -2.637 1.380 6.402
187 HG2 ARG 23 2HG ARG 23 -1.766 3.703 6.503
188 HG3 ARG 23 1HG ARG 23 -3.019 4.170 5.354
189 HD2 ARG 23 2HD ARG 23 -3.464 2.954 8.074
190 HD3 ARG 23 1HD ARG 23 -3.690 4.648 7.649
191 HE ARG 23 HE ARG 23 -5.287 3.024 5.977
192 HH11 ARG 23 1HH1 ARG 23 -5.157 4.208 9.308
193 HH12 ARG 23 2HH1 ARG 23 -6.831 4.029 9.581
194 HH21 ARG 23 1HH2 ARG 23 -7.530 2.780 6.341
195 HH22 ARG 23 2HH2 ARG 23 -8.218 3.182 7.857
196 H CYS 24 H CYS 24 0.056 -0.018 4.339
197 HA CYS 24 HA CYS 24 -1.697 -1.860 2.946
198 HB2 CYS 24 2HB CYS 24 1.152 -2.251 3.905
199 HB3 CYS 24 1HB CYS 24 0.273 -3.296 2.802
200 H THR 25 H THR 25 -3.044 -2.927 4.179
201 HA THR 25 HA THR 25 -2.208 -3.688 6.880
202 HB THR 25 HB THR 25 -5.039 -3.272 5.876
203 HG1 THR 25 1HG THR 25 -3.633 -1.410 5.841
204 HG21 THR 25 1HG2 THR 25 -5.563 -3.145 8.280
205 HG22 THR 25 2HG2 THR 25 -3.861 -3.392 8.669
206 HG23 THR 25 3HG2 THR 25 -4.785 -4.680 7.896
207 H GLU 26 H GLU 26 -1.443 -5.638 6.424
208 HA GLU 26 HA GLU 26 -2.819 -7.334 4.515
209 HB2 GLU 26 2HB GLU 26 -0.107 -7.616 5.795
210 HB3 GLU 26 1HB GLU 26 -0.739 -8.551 4.444
211 HG2 GLU 26 2HG GLU 26 -0.248 -5.580 4.404
212 HG3 GLU 26 1HG GLU 26 0.833 -6.798 3.732
Start of MODEL 9
1 H1 CYS 1 1HT CYS 1 -5.514 9.363 2.860
2 H2 CYS 1 2HT CYS 1 -4.509 9.517 4.231
3 H3 CYS 1 3HT CYS 1 -5.982 8.731 4.348
4 HA CYS 1 HA CYS 1 -3.749 7.857 2.682
5 HB2 CYS 1 2HB CYS 1 -4.560 7.046 5.466
6 HB3 CYS 1 1HB CYS 1 -3.675 5.952 4.418
7 H GLN 2 H GLN 2 -4.163 6.288 1.295
8 HA GLN 2 HA GLN 2 -6.860 5.255 1.048
9 HB2 GLN 2 2HB GLN 2 -4.324 4.528 -0.466
10 HB3 GLN 2 1HB GLN 2 -5.900 3.862 -0.801
11 HG2 GLN 2 2HG GLN 2 -5.394 5.516 -2.434
12 HG3 GLN 2 1HG GLN 2 -6.696 6.106 -1.412
13 HE21 GLN 2 1HE2 GLN 2 -6.349 7.902 -0.157
14 HE22 GLN 2 2HE2 GLN 2 -4.954 8.894 -0.288
15 H THR 3 H THR 3 -7.106 2.784 0.872
16 HA THR 3 HA THR 3 -5.338 1.520 2.823
17 HB THR 3 HB THR 3 -8.321 1.037 2.568
18 HG1 THR 3 1HG THR 3 -8.547 2.750 3.697
19 HG21 THR 3 1HG2 THR 3 -7.015 -0.827 3.518
20 HG22 THR 3 2HG2 THR 3 -8.048 -0.082 4.736
21 HG23 THR 3 3HG2 THR 3 -6.321 0.275 4.707
22 H TRP 4 H TRP 4 -4.202 0.064 1.714
23 HA TRP 4 HA TRP 4 -5.428 -1.356 -0.534
24 HB2 TRP 4 2HB TRP 4 -2.540 -1.381 0.398
25 HB3 TRP 4 1HB TRP 4 -3.165 -2.049 -1.102
26 HD1 TRP 4 HD TRP 4 -1.682 1.015 0.319
27 HE1 TRP 4 1HE TRP 4 -1.768 2.930 -1.405
28 HE3 TRP 4 3HE TRP 4 -4.845 -1.084 -3.068
29 HZ2 TRP 4 2HZ TRP 4 -3.012 3.485 -3.848
30 HZ3 TRP 4 3HZ TRP 4 -5.451 0.208 -5.085
31 HH2 TRP 4 HH TRP 4 -4.548 2.444 -5.462
32 H ARG 5 H ARG 5 -6.008 -3.444 -0.273
33 HA ARG 5 HA ARG 5 -5.062 -4.780 2.154
34 HB2 ARG 5 2HB ARG 5 -7.874 -4.870 1.064
35 HB3 ARG 5 1HB ARG 5 -7.282 -5.739 2.470
36 HG2 ARG 5 2HG ARG 5 -6.837 -3.589 3.588
37 HG3 ARG 5 1HG ARG 5 -7.502 -2.749 2.188
38 HD2 ARG 5 2HD ARG 5 -9.166 -2.921 3.921
39 HD3 ARG 5 1HD ARG 5 -9.629 -3.913 2.536
40 HE ARG 5 HE ARG 5 -8.168 -5.306 4.564
41 HH11 ARG 5 1HH1 ARG 5 -11.377 -4.316 3.482
42 HH12 ARG 5 2HH1 ARG 5 -12.215 -5.522 4.336
43 HH21 ARG 5 1HH2 ARG 5 -9.307 -6.997 5.749
44 HH22 ARG 5 2HH2 ARG 5 -11.002 -7.080 5.664
45 H DAR 6 H DAR 6 -4.187 -6.620 1.779
46 HA DAR 6 HA DAR 6 -5.216 -8.592 0.020
47 HB2 DAR 6 1HB DAR 6 -3.931 -9.211 1.996
48 HB3 DAR 6 2HB DAR 6 -2.516 -8.384 1.361
49 HG2 DAR 6 1HG DAR 6 -2.639 -10.002 -0.602
50 HG3 DAR 6 2HG DAR 6 -3.789 -10.921 0.367
51 HD2 DAR 6 1HD DAR 6 -0.994 -10.201 1.205
52 HD3 DAR 6 2HD DAR 6 -1.488 -11.764 0.572
53 HE DAR 6 HE DAR 6 -3.070 -11.738 2.572
54 HH11 DAR 6 1HH2 DAR 6 -2.603 -12.330 4.789
55 HH12 DAR 6 2HH2 DAR 6 -1.120 -11.889 5.492
56 HH21 DAR 6 1HH1 DAR 6 0.123 -10.174 2.654
57 HH22 DAR 6 2HH1 DAR 6 0.455 -10.619 4.245
58 H VAL 7 H VAL 7 -2.529 -6.362 -0.224
59 HA VAL 7 HA VAL 7 -2.256 -7.108 -3.032
60 HB VAL 7 HB VAL 7 -0.861 -5.056 -3.271
61 HG11 VAL 7 1HG1 VAL 7 -2.648 -3.384 -2.885
62 HG12 VAL 7 2HG1 VAL 7 -3.542 -4.602 -1.973
63 HG13 VAL 7 3HG1 VAL 7 -3.212 -4.846 -3.689
64 HG21 VAL 7 1HG2 VAL 7 0.044 -4.996 -1.010
65 HG22 VAL 7 2HG2 VAL 7 -1.548 -4.571 -0.378
66 HG23 VAL 7 3HG2 VAL 7 -0.692 -3.454 -1.442
67 H SER 8 H SER 8 0.038 -7.441 -3.809
68 HA SER 8 HA SER 8 1.268 -9.184 -1.910
69 HB2 SER 8 2HB SER 8 2.881 -9.685 -3.763
70 HB3 SER 8 1HB SER 8 1.202 -9.875 -4.240
71 HG SER 8 HG SER 8 1.298 -7.852 -5.245
72 HA PRO 9 HA PRO 9 4.264 -6.794 0.268
73 HB2 PRO 9 2HB PRO 9 6.291 -8.494 -1.138
74 HB3 PRO 9 1HB PRO 9 6.209 -8.023 0.563
75 HG2 PRO 9 2HG PRO 9 5.397 -10.430 -0.167
76 HG3 PRO 9 1HG PRO 9 4.479 -9.498 1.030
77 HD2 PRO 9 2HD PRO 9 3.828 -10.090 -1.806
78 HD3 PRO 9 1HD PRO 9 2.746 -9.821 -0.427
79 H GLU 10 H GLU 10 5.420 -7.519 -3.027
80 HA GLU 10 HA GLU 10 7.133 -5.296 -3.219
81 HB2 GLU 10 2HB GLU 10 7.224 -7.343 -4.645
82 HB3 GLU 10 1HB GLU 10 5.797 -6.758 -5.489
83 HG2 GLU 10 2HG GLU 10 7.051 -4.748 -6.141
84 HG3 GLU 10 1HG GLU 10 8.486 -5.427 -5.373
85 H GLU 11 H GLU 11 3.801 -5.805 -4.368
86 HA GLU 11 HA GLU 11 3.432 -3.301 -5.624
87 HB2 GLU 11 2HB GLU 11 1.382 -5.021 -4.215
88 HB3 GLU 11 1HB GLU 11 1.017 -3.696 -5.305
89 HG2 GLU 11 2HG GLU 11 2.003 -4.920 -7.145
90 HG3 GLU 11 1HG GLU 11 2.449 -6.228 -6.050
91 H CYS 12 H CYS 12 2.769 -4.477 -2.412
92 HA CYS 12 HA CYS 12 1.542 -2.326 -1.208
93 HB2 CYS 12 2HB CYS 12 1.893 -4.608 -0.233
94 HB3 CYS 12 1HB CYS 12 3.565 -4.163 0.069
95 H ARG 13 H ARG 13 5.013 -3.062 -1.297
96 HA ARG 13 HA ARG 13 5.817 -0.740 0.056
97 HB2 ARG 13 2HB ARG 13 7.305 -2.635 -1.730
98 HB3 ARG 13 1HB ARG 13 8.086 -1.314 -0.876
99 HG2 ARG 13 2HG ARG 13 7.320 -2.267 1.257
100 HG3 ARG 13 1HG ARG 13 6.590 -3.608 0.375
101 HD2 ARG 13 2HD ARG 13 8.783 -4.194 1.302
102 HD3 ARG 13 1HD ARG 13 8.764 -4.277 -0.458
103 HE ARG 13 HE ARG 13 9.614 -1.734 0.416
104 HH11 ARG 13 1HH1 ARG 13 10.757 -5.064 0.243
105 HH12 ARG 13 2HH1 ARG 13 12.390 -4.663 -0.012
106 HH21 ARG 13 1HH2 ARG 13 11.884 -1.154 0.055
107 HH22 ARG 13 2HH2 ARG 13 13.037 -2.405 -0.141
108 H LYS 14 H LYS 14 5.514 -1.492 -3.376
109 HA LYS 14 HA LYS 14 6.600 0.952 -4.234
110 HB2 LYS 14 2HB LYS 14 4.817 -1.037 -5.634
111 HB3 LYS 14 1HB LYS 14 5.433 0.410 -6.428
112 HG2 LYS 14 2HG LYS 14 7.711 -0.313 -6.090
113 HG3 LYS 14 1HG LYS 14 7.163 -1.700 -5.154
114 HD2 LYS 14 2HD LYS 14 6.104 -2.645 -7.122
115 HD3 LYS 14 1HD LYS 14 6.530 -1.213 -8.065
116 HE2 LYS 14 2HE LYS 14 8.889 -1.689 -7.799
117 HE3 LYS 14 1HE LYS 14 8.529 -3.042 -6.735
118 HZ1 LYS 14 1HZ LYS 14 7.674 -2.922 -9.584
119 HZ2 LYS 14 2HZ LYS 14 7.614 -4.269 -8.555
120 HZ3 LYS 14 3HZ LYS 14 9.082 -3.660 -9.049
121 H TYR 15 H TYR 15 3.289 0.033 -3.421
122 HA TYR 15 HA TYR 15 2.112 2.467 -4.252
123 HB2 TYR 15 2HB TYR 15 1.197 0.605 -2.045
124 HB3 TYR 15 1HB TYR 15 0.240 1.913 -2.713
125 HD1 TYR 15 1HD TYR 15 1.035 1.379 -5.678
126 HD2 TYR 15 2HD TYR 15 -0.294 -1.153 -2.522
127 HE1 TYR 15 1HE TYR 15 0.099 -0.158 -7.316
128 HE2 TYR 15 2HE TYR 15 -1.223 -2.708 -4.171
129 HH TYR 15 HH TYR 15 -0.492 -2.526 -7.457
130 H LYS 16 H LYS 16 3.495 1.454 -1.177
131 HA LYS 16 HA LYS 16 2.909 3.845 0.230
132 HB2 LYS 16 2HB LYS 16 5.114 1.837 0.672
133 HB3 LYS 16 1HB LYS 16 4.727 3.156 1.766
134 HG2 LYS 16 2HG LYS 16 2.531 2.200 2.174
135 HG3 LYS 16 1HG LYS 16 2.863 0.908 1.018
136 HD2 LYS 16 2HD LYS 16 3.211 0.114 3.291
137 HD3 LYS 16 1HD LYS 16 4.739 0.157 2.416
138 HE2 LYS 16 2HE LYS 16 5.267 2.321 3.507
139 HE3 LYS 16 1HE LYS 16 3.759 2.208 4.414
140 HZ1 LYS 16 1HZ LYS 16 4.622 0.091 5.346
141 HZ2 LYS 16 2HZ LYS 16 5.579 1.411 5.769
142 HZ3 LYS 16 3HZ LYS 16 6.067 0.371 4.546
143 H GLU 17 H GLU 17 5.624 2.832 -1.712
144 HA GLU 17 HA GLU 17 7.289 5.038 -1.135
145 HB2 GLU 17 2HB GLU 17 8.049 2.835 -1.980
146 HB3 GLU 17 1HB GLU 17 7.287 3.192 -3.518
147 HG2 GLU 17 2HG GLU 17 8.803 5.086 -3.815
148 HG3 GLU 17 1HG GLU 17 9.576 4.697 -2.280
149 H GLU 18 H GLU 18 4.931 4.353 -3.656
150 HA GLU 18 HA GLU 18 5.639 6.658 -5.208
151 HB2 GLU 18 2HB GLU 18 4.826 4.508 -6.166
152 HB3 GLU 18 1HB GLU 18 3.243 4.867 -5.499
153 HG2 GLU 18 2HG GLU 18 3.311 5.460 -7.831
154 HG3 GLU 18 1HG GLU 18 3.153 6.914 -6.843
155 H TYR 19 H TYR 19 2.623 5.703 -3.529
156 HA TYR 19 HA TYR 19 1.430 8.220 -4.169
157 HB2 TYR 19 2HB TYR 19 0.402 6.053 -2.341
158 HB3 TYR 19 1HB TYR 19 -0.521 7.429 -2.927
159 HD1 TYR 19 1HD TYR 19 0.067 4.057 -3.404
160 HD2 TYR 19 2HD TYR 19 -0.455 7.639 -5.629
161 HE1 TYR 19 1HE TYR 19 -0.615 2.740 -5.349
162 HE2 TYR 19 2HE TYR 19 -1.141 6.328 -7.584
163 HH TYR 19 HH TYR 19 -1.953 3.061 -7.397
164 H DSG 20 H DAS 20 2.425 6.738 -1.100
165 HA DSG 20 HA DAS 20 2.272 9.435 0.001
166 HB2 DSG 20 1HB DAS 20 4.401 7.376 0.436
167 HB3 DSG 20 2HB DAS 20 4.130 8.657 1.604
168 HD21 DSG 20 1HD2 DAS 20 5.361 7.860 -1.521
169 HD22 DSG 20 2HD2 DAS 20 6.000 9.415 -1.872
170 H CYS 21 H CYS 21 0.477 9.446 1.024
171 HA CYS 21 HA CYS 21 0.288 8.026 3.504
172 HB2 CYS 21 2HB CYS 21 -0.324 10.407 3.278
173 HB3 CYS 21 1HB CYS 21 -1.557 9.981 2.123
174 H VAL 22 H VAL 22 0.077 5.903 2.911
175 HA VAL 22 HA VAL 22 -2.600 5.093 2.183
176 HB VAL 22 HB VAL 22 -1.797 3.341 0.624
177 HG11 VAL 22 1HG1 VAL 22 -1.247 4.720 -1.323
178 HG12 VAL 22 2HG1 VAL 22 -0.897 6.068 -0.250
179 HG13 VAL 22 3HG1 VAL 22 -2.537 5.446 -0.359
180 HG21 VAL 22 1HG2 VAL 22 0.477 3.389 -0.289
181 HG22 VAL 22 2HG2 VAL 22 0.469 3.044 1.443
182 HG23 VAL 22 3HG2 VAL 22 0.905 4.654 0.864
183 H ARG 23 H ARG 23 -3.175 3.198 3.194
184 HA ARG 23 HA ARG 23 -1.168 2.076 5.007
185 HB2 ARG 23 2HB ARG 23 -4.202 2.035 5.173
186 HB3 ARG 23 1HB ARG 23 -3.127 1.238 6.319
187 HG2 ARG 23 2HG ARG 23 -2.171 3.377 6.952
188 HG3 ARG 23 1HG ARG 23 -3.182 4.196 5.769
189 HD2 ARG 23 2HD ARG 23 -5.175 3.433 7.000
190 HD3 ARG 23 1HD ARG 23 -4.125 2.696 8.210
191 HE ARG 23 HE ARG 23 -3.188 5.131 8.250
192 HH11 ARG 23 1HH1 ARG 23 -6.561 4.058 8.340
193 HH12 ARG 23 2HH1 ARG 23 -7.140 5.511 9.036
194 HH21 ARG 23 1HH2 ARG 23 -4.013 7.114 9.220
195 HH22 ARG 23 2HH2 ARG 23 -5.676 7.254 9.561
196 H CYS 24 H CYS 24 -1.013 -0.256 5.073
197 HA CYS 24 HA CYS 24 -2.175 -1.569 2.775
198 HB2 CYS 24 2HB CYS 24 -0.191 -0.302 1.984
199 HB3 CYS 24 1HB CYS 24 0.798 -1.197 3.125
200 H THR 25 H THR 25 -1.271 -3.905 2.713
201 HA THR 25 HA THR 25 -1.481 -5.011 5.382
202 HB THR 25 HB THR 25 -1.184 -6.541 2.790
203 HG1 THR 25 1HG THR 25 -3.321 -5.048 3.770
204 HG21 THR 25 1HG2 THR 25 -2.548 -8.207 3.982
205 HG22 THR 25 2HG2 THR 25 -2.645 -7.133 5.377
206 HG23 THR 25 3HG2 THR 25 -1.092 -7.816 4.898
207 H GLU 26 H GLU 26 0.636 -4.604 6.285
208 HA GLU 26 HA GLU 26 2.794 -6.129 4.996
209 HB2 GLU 26 2HB GLU 26 3.064 -3.696 6.776
210 HB3 GLU 26 1HB GLU 26 4.396 -4.670 6.192
211 HG2 GLU 26 2HG GLU 26 3.905 -4.032 3.918
212 HG3 GLU 26 1HG GLU 26 2.502 -3.111 4.463
Start of MODEL 10
1 H1 CYS 1 1HT CYS 1 -6.431 8.097 4.394
2 H2 CYS 1 2HT CYS 1 -6.816 8.999 3.023
3 H3 CYS 1 3HT CYS 1 -5.654 9.569 4.114
4 HA CYS 1 HA CYS 1 -4.686 8.621 2.111
5 HB2 CYS 1 2HB CYS 1 -4.157 6.996 4.628
6 HB3 CYS 1 1HB CYS 1 -3.077 7.176 3.260
7 H GLN 2 H GLN 2 -4.173 6.582 0.959
8 HA GLN 2 HA GLN 2 -6.499 5.038 0.451
9 HB2 GLN 2 2HB GLN 2 -3.637 4.559 -0.389
10 HB3 GLN 2 1HB GLN 2 -5.002 3.624 -0.960
11 HG2 GLN 2 2HG GLN 2 -4.670 6.578 -1.347
12 HG3 GLN 2 1HG GLN 2 -4.286 5.345 -2.553
13 HE21 GLN 2 1HE2 GLN 2 -5.976 4.243 -3.552
14 HE22 GLN 2 2HE2 GLN 2 -7.601 4.813 -3.483
15 H THR 3 H THR 3 -6.512 2.627 0.497
16 HA THR 3 HA THR 3 -5.073 1.481 2.752
17 HB THR 3 HB THR 3 -8.062 1.138 2.315
18 HG1 THR 3 1HG THR 3 -7.286 3.264 3.006
19 HG21 THR 3 1HG2 THR 3 -7.998 0.138 4.555
20 HG22 THR 3 2HG2 THR 3 -6.260 0.417 4.637
21 HG23 THR 3 3HG2 THR 3 -6.913 -0.721 3.460
22 H TRP 4 H TRP 4 -3.934 -0.017 1.670
23 HA TRP 4 HA TRP 4 -5.153 -1.447 -0.566
24 HB2 TRP 4 2HB TRP 4 -2.282 -1.520 0.371
25 HB3 TRP 4 1HB TRP 4 -2.922 -2.137 -1.145
26 HD1 TRP 4 HD TRP 4 -1.452 0.879 0.396
27 HE1 TRP 4 1HE TRP 4 -1.480 2.830 -1.275
28 HE3 TRP 4 3HE TRP 4 -4.517 -1.121 -3.130
29 HZ2 TRP 4 2HZ TRP 4 -2.634 3.451 -3.716
30 HZ3 TRP 4 3HZ TRP 4 -5.052 0.224 -5.136
31 HH2 TRP 4 HH TRP 4 -4.128 2.464 -5.421
32 H ARG 5 H ARG 5 -6.192 -3.202 0.052
33 HA ARG 5 HA ARG 5 -4.930 -4.799 2.128
34 HB2 ARG 5 2HB ARG 5 -7.871 -4.387 1.623
35 HB3 ARG 5 1HB ARG 5 -7.236 -5.671 2.651
36 HG2 ARG 5 2HG ARG 5 -6.146 -4.002 4.059
37 HG3 ARG 5 1HG ARG 5 -6.796 -2.727 3.035
38 HD2 ARG 5 2HD ARG 5 -9.035 -3.289 3.691
39 HD3 ARG 5 1HD ARG 5 -8.463 -4.707 4.578
40 HE ARG 5 HE ARG 5 -7.070 -2.672 5.657
41 HH11 ARG 5 1HH1 ARG 5 -10.538 -3.179 5.211
42 HH12 ARG 5 2HH1 ARG 5 -10.969 -2.324 6.622
43 HH21 ARG 5 1HH2 ARG 5 -7.669 -1.536 7.613
44 HH22 ARG 5 2HH2 ARG 5 -9.321 -1.380 8.005
45 H DAR 6 H DAR 6 -4.265 -6.608 1.629
46 HA DAR 6 HA DAR 6 -5.560 -8.382 -0.242
47 HB2 DAR 6 1HB DAR 6 -2.883 -8.593 1.147
48 HB3 DAR 6 2HB DAR 6 -3.705 -9.881 0.281
49 HG2 DAR 6 1HG DAR 6 -5.443 -9.972 1.896
50 HG3 DAR 6 2HG DAR 6 -4.758 -8.592 2.766
51 HD2 DAR 6 1HD DAR 6 -4.155 -10.766 3.792
52 HD3 DAR 6 2HD DAR 6 -2.749 -9.854 3.239
53 HE DAR 6 HE DAR 6 -3.694 -11.639 1.249
54 HH11 DAR 6 1HH2 DAR 6 -2.484 -13.533 0.713
55 HH12 DAR 6 2HH2 DAR 6 -1.311 -14.133 1.794
56 HH21 DAR 6 1HH1 DAR 6 -1.695 -11.548 4.185
57 HH22 DAR 6 2HH1 DAR 6 -0.838 -12.965 3.775
58 H VAL 7 H VAL 7 -2.329 -6.986 0.018
59 HA VAL 7 HA VAL 7 -1.912 -7.335 -2.840
60 HB VAL 7 HB VAL 7 -0.645 -5.189 -2.899
61 HG11 VAL 7 1HG1 VAL 7 -2.541 -3.623 -2.831
62 HG12 VAL 7 2HG1 VAL 7 -3.499 -4.851 -2.001
63 HG13 VAL 7 3HG1 VAL 7 -2.930 -5.137 -3.645
64 HG21 VAL 7 1HG2 VAL 7 -0.050 -5.025 -0.539
65 HG22 VAL 7 2HG2 VAL 7 -1.740 -4.742 -0.121
66 HG23 VAL 7 3HG2 VAL 7 -0.857 -3.553 -1.080
67 H SER 8 H SER 8 0.388 -7.606 -3.305
68 HA SER 8 HA SER 8 1.642 -9.043 -1.157
69 HB2 SER 8 2HB SER 8 3.410 -9.503 -2.858
70 HB3 SER 8 1HB SER 8 1.790 -9.932 -3.409
71 HG SER 8 HG SER 8 1.727 -8.007 -4.594
72 HA PRO 9 HA PRO 9 4.279 -5.948 0.706
73 HB2 PRO 9 2HB PRO 9 6.492 -7.845 0.011
74 HB3 PRO 9 1HB PRO 9 6.177 -6.993 1.528
75 HG2 PRO 9 2HG PRO 9 5.521 -9.539 1.304
76 HG3 PRO 9 1HG PRO 9 4.432 -8.411 2.124
77 HD2 PRO 9 2HD PRO 9 4.182 -9.650 -0.575
78 HD3 PRO 9 1HD PRO 9 2.921 -9.186 0.581
79 H GLU 10 H GLU 10 5.457 -7.357 -2.326
80 HA GLU 10 HA GLU 10 7.208 -5.274 -3.055
81 HB2 GLU 10 2HB GLU 10 7.310 -7.437 -4.143
82 HB3 GLU 10 1HB GLU 10 5.676 -7.246 -4.757
83 HG2 GLU 10 2HG GLU 10 6.371 -5.518 -6.247
84 HG3 GLU 10 1HG GLU 10 7.977 -5.474 -5.523
85 H GLU 11 H GLU 11 3.840 -5.868 -4.031
86 HA GLU 11 HA GLU 11 3.429 -3.492 -5.485
87 HB2 GLU 11 2HB GLU 11 1.461 -5.146 -3.891
88 HB3 GLU 11 1HB GLU 11 1.019 -3.895 -5.044
89 HG2 GLU 11 2HG GLU 11 1.930 -5.152 -6.838
90 HG3 GLU 11 1HG GLU 11 2.571 -6.371 -5.733
91 H CYS 12 H CYS 12 2.954 -4.386 -2.149
92 HA CYS 12 HA CYS 12 1.769 -2.123 -1.114
93 HB2 CYS 12 2HB CYS 12 2.133 -4.309 0.057
94 HB3 CYS 12 1HB CYS 12 3.822 -3.863 0.257
95 H ARG 13 H ARG 13 5.248 -2.884 -1.436
96 HA ARG 13 HA ARG 13 6.165 -0.497 -0.328
97 HB2 ARG 13 2HB ARG 13 7.716 -2.350 -0.584
98 HB3 ARG 13 1HB ARG 13 7.514 -2.320 -2.331
99 HG2 ARG 13 2HG ARG 13 9.610 -1.302 -1.743
100 HG3 ARG 13 1HG ARG 13 8.525 -0.080 -2.397
101 HD2 ARG 13 2HD ARG 13 7.921 0.412 0.070
102 HD3 ARG 13 1HD ARG 13 9.378 -0.502 0.453
103 HE ARG 13 HE ARG 13 9.872 1.492 -1.490
104 HH11 ARG 13 1HH1 ARG 13 9.581 0.978 1.999
105 HH12 ARG 13 2HH1 ARG 13 10.307 2.449 2.434
106 HH21 ARG 13 1HH2 ARG 13 10.823 3.606 -0.887
107 HH22 ARG 13 2HH2 ARG 13 11.049 3.939 0.762
108 H LYS 14 H LYS 14 5.497 -1.395 -3.692
109 HA LYS 14 HA LYS 14 6.401 1.068 -4.690
110 HB2 LYS 14 2HB LYS 14 6.213 -0.863 -6.170
111 HB3 LYS 14 1HB LYS 14 4.466 -0.863 -5.980
112 HG2 LYS 14 2HG LYS 14 4.230 1.144 -7.216
113 HG3 LYS 14 1HG LYS 14 5.957 1.479 -7.133
114 HD2 LYS 14 2HD LYS 14 6.431 -0.417 -8.565
115 HD3 LYS 14 1HD LYS 14 4.729 -0.866 -8.577
116 HE2 LYS 14 2HE LYS 14 5.432 0.302 -10.636
117 HE3 LYS 14 1HE LYS 14 4.151 1.132 -9.772
118 HZ1 LYS 14 1HZ LYS 14 7.021 1.882 -9.528
119 HZ2 LYS 14 2HZ LYS 14 5.656 2.800 -9.041
120 HZ3 LYS 14 3HZ LYS 14 5.981 2.544 -10.654
121 H TYR 15 H TYR 15 3.154 0.066 -3.704
122 HA TYR 15 HA TYR 15 1.879 2.483 -4.424
123 HB2 TYR 15 2HB TYR 15 1.156 0.576 -2.188
124 HB3 TYR 15 1HB TYR 15 0.128 1.872 -2.770
125 HD1 TYR 15 1HD TYR 15 0.483 1.533 -5.735
126 HD2 TYR 15 2HD TYR 15 -0.072 -1.336 -2.643
127 HE1 TYR 15 1HE TYR 15 -0.538 0.005 -7.342
128 HE2 TYR 15 2HE TYR 15 -1.083 -2.879 -4.253
129 HH TYR 15 HH TYR 15 -0.841 -2.482 -7.544
130 H LYS 16 H LYS 16 3.437 1.487 -1.422
131 HA LYS 16 HA LYS 16 2.944 3.765 0.130
132 HB2 LYS 16 2HB LYS 16 5.200 1.778 0.138
133 HB3 LYS 16 1HB LYS 16 5.123 3.110 1.280
134 HG2 LYS 16 2HG LYS 16 3.130 2.250 2.272
135 HG3 LYS 16 1HG LYS 16 2.935 1.063 0.983
136 HD2 LYS 16 2HD LYS 16 3.840 0.110 3.110
137 HD3 LYS 16 1HD LYS 16 4.876 -0.150 1.711
138 HE2 LYS 16 2HE LYS 16 6.229 0.477 3.605
139 HE3 LYS 16 1HE LYS 16 6.261 1.762 2.415
140 HZ1 LYS 16 1HZ LYS 16 4.735 1.709 4.955
141 HZ2 LYS 16 2HZ LYS 16 4.549 2.915 3.789
142 HZ3 LYS 16 3HZ LYS 16 6.029 2.711 4.557
143 H GLU 17 H GLU 17 5.600 3.025 -2.050
144 HA GLU 17 HA GLU 17 7.105 5.373 -1.592
145 HB2 GLU 17 2HB GLU 17 7.929 3.240 -2.615
146 HB3 GLU 17 1HB GLU 17 7.012 3.629 -4.057
147 HG2 GLU 17 2HG GLU 17 9.261 4.222 -4.489
148 HG3 GLU 17 1HG GLU 17 8.380 5.727 -4.234
149 H GLU 18 H GLU 18 4.695 4.422 -3.960
150 HA GLU 18 HA GLU 18 4.879 6.557 -5.754
151 HB2 GLU 18 2HB GLU 18 3.598 4.183 -5.673
152 HB3 GLU 18 1HB GLU 18 2.258 5.268 -5.348
153 HG2 GLU 18 2HG GLU 18 2.355 4.816 -7.688
154 HG3 GLU 18 1HG GLU 18 2.829 6.497 -7.420
155 H TYR 19 H TYR 19 2.391 5.932 -3.280
156 HA TYR 19 HA TYR 19 1.285 8.556 -3.816
157 HB2 TYR 19 2HB TYR 19 0.231 6.333 -2.091
158 HB3 TYR 19 1HB TYR 19 -0.622 7.819 -2.488
159 HD1 TYR 19 1HD TYR 19 -1.134 8.263 -4.954
160 HD2 TYR 19 2HD TYR 19 0.105 4.463 -3.512
161 HE1 TYR 19 1HE TYR 19 -2.043 7.210 -6.965
162 HE2 TYR 19 2HE TYR 19 -0.808 3.401 -5.529
163 HH TYR 19 HH TYR 19 -2.438 3.841 -7.266
164 H DSG 20 H DAS 20 3.033 7.002 -1.211
165 HA DSG 20 HA DAS 20 2.713 9.505 0.274
166 HB2 DSG 20 1HB DAS 20 4.967 7.515 0.255
167 HB3 DSG 20 2HB DAS 20 4.773 8.645 1.588
168 HD21 DSG 20 1HD2 DAS 20 5.562 8.325 -1.809
169 HD22 DSG 20 2HD2 DAS 20 6.177 9.918 -1.989
170 H CYS 21 H CYS 21 1.040 9.305 1.534
171 HA CYS 21 HA CYS 21 1.217 7.409 3.693
172 HB2 CYS 21 2HB CYS 21 0.652 9.687 4.246
173 HB3 CYS 21 1HB CYS 21 -0.715 9.657 3.137
174 H VAL 22 H VAL 22 0.535 5.444 3.241
175 HA VAL 22 HA VAL 22 -2.219 5.159 2.422
176 HB VAL 22 HB VAL 22 -1.730 3.305 0.877
177 HG11 VAL 22 1HG1 VAL 22 -1.908 5.506 -0.141
178 HG12 VAL 22 2HG1 VAL 22 -0.738 4.516 -1.017
179 HG13 VAL 22 3HG1 VAL 22 -0.185 5.760 0.100
180 HG21 VAL 22 1HG2 VAL 22 1.180 3.948 1.318
181 HG22 VAL 22 2HG2 VAL 22 0.545 2.844 0.095
182 HG23 VAL 22 3HG2 VAL 22 0.342 2.469 1.810
183 H ARG 23 H ARG 23 -3.136 3.265 3.273
184 HA ARG 23 HA ARG 23 -1.557 1.984 5.365
185 HB2 ARG 23 2HB ARG 23 -4.548 1.884 4.802
186 HB3 ARG 23 1HB ARG 23 -3.749 1.104 6.161
187 HG2 ARG 23 2HG ARG 23 -3.048 3.322 6.981
188 HG3 ARG 23 1HG ARG 23 -3.928 4.066 5.650
189 HD2 ARG 23 2HD ARG 23 -5.141 2.341 7.813
190 HD3 ARG 23 1HD ARG 23 -5.201 4.098 7.752
191 HE ARG 23 HE ARG 23 -6.309 2.752 5.441
192 HH11 ARG 23 1HH1 ARG 23 -6.984 4.247 8.568
193 HH12 ARG 23 2HH1 ARG 23 -8.664 4.320 8.333
194 HH21 ARG 23 1HH2 ARG 23 -8.577 2.860 5.104
195 HH22 ARG 23 2HH2 ARG 23 -9.619 3.493 6.304
196 H CYS 24 H CYS 24 -1.286 -0.304 5.274
197 HA CYS 24 HA CYS 24 -2.185 -1.625 2.856
198 HB2 CYS 24 2HB CYS 24 -0.176 -0.412 2.159
199 HB3 CYS 24 1HB CYS 24 0.730 -1.143 3.475
200 H THR 25 H THR 25 -2.146 -3.851 3.038
201 HA THR 25 HA THR 25 -1.578 -4.907 5.681
202 HB THR 25 HB THR 25 -2.706 -6.965 4.760
203 HG1 THR 25 1HG THR 25 -2.161 -6.245 2.601
204 HG21 THR 25 1HG2 THR 25 -4.968 -5.964 4.761
205 HG22 THR 25 2HG2 THR 25 -4.228 -4.365 4.586
206 HG23 THR 25 3HG2 THR 25 -3.955 -5.304 6.049
207 H GLU 26 H GLU 26 0.573 -5.281 5.848
208 HA GLU 26 HA GLU 26 1.762 -7.067 3.862
209 HB2 GLU 26 2HB GLU 26 2.831 -4.838 3.834
210 HB3 GLU 26 1HB GLU 26 3.115 -4.949 5.563
211 HG2 GLU 26 2HG GLU 26 4.623 -6.835 5.197
212 HG3 GLU 26 1HG GLU 26 4.320 -6.739 3.466
Start of MODEL 11
1 H1 CYS 1 1HT CYS 1 -4.911 9.784 3.032
2 H2 CYS 1 2HT CYS 1 -6.082 8.666 3.568
3 H3 CYS 1 3HT CYS 1 -5.861 8.927 1.926
4 HA CYS 1 HA CYS 1 -3.687 8.014 2.002
5 HB2 CYS 1 2HB CYS 1 -4.323 7.457 4.919
6 HB3 CYS 1 1HB CYS 1 -2.848 7.014 4.070
7 H GLN 2 H GLN 2 -4.385 6.460 0.636
8 HA GLN 2 HA GLN 2 -6.652 4.843 1.037
9 HB2 GLN 2 2HB GLN 2 -4.324 4.586 -0.847
10 HB3 GLN 2 1HB GLN 2 -5.665 3.462 -0.840
11 HG2 GLN 2 2HG GLN 2 -5.873 6.423 -1.325
12 HG3 GLN 2 1HG GLN 2 -5.929 5.162 -2.559
13 HE21 GLN 2 1HE2 GLN 2 -7.930 7.132 -1.862
14 HE22 GLN 2 2HE2 GLN 2 -9.347 6.234 -1.454
15 H THR 3 H THR 3 -6.893 2.701 1.576
16 HA THR 3 HA THR 3 -4.580 1.455 2.856
17 HB THR 3 HB THR 3 -7.527 0.874 3.308
18 HG1 THR 3 1HG THR 3 -6.769 2.929 4.064
19 HG21 THR 3 1HG2 THR 3 -5.054 -0.055 4.802
20 HG22 THR 3 2HG2 THR 3 -6.050 -1.052 3.746
21 HG23 THR 3 3HG2 THR 3 -6.720 -0.424 5.249
22 H TRP 4 H TRP 4 -3.775 -0.222 1.844
23 HA TRP 4 HA TRP 4 -5.319 -1.491 -0.298
24 HB2 TRP 4 2HB TRP 4 -2.343 -1.677 0.241
25 HB3 TRP 4 1HB TRP 4 -3.196 -2.169 -1.218
26 HD1 TRP 4 HD TRP 4 -1.399 0.718 0.279
27 HE1 TRP 4 1HE TRP 4 -1.589 2.775 -1.243
28 HE3 TRP 4 3HE TRP 4 -5.022 -0.940 -2.867
29 HZ2 TRP 4 2HZ TRP 4 -3.077 3.599 -3.459
30 HZ3 TRP 4 3HZ TRP 4 -5.792 0.555 -4.685
31 HH2 TRP 4 HH TRP 4 -4.837 2.775 -4.966
32 H ARG 5 H ARG 5 -6.281 -3.324 0.362
33 HA ARG 5 HA ARG 5 -5.064 -4.784 2.592
34 HB2 ARG 5 2HB ARG 5 -7.895 -4.824 1.570
35 HB3 ARG 5 1HB ARG 5 -7.280 -5.890 2.817
36 HG2 ARG 5 2HG ARG 5 -6.837 -3.953 4.243
37 HG3 ARG 5 1HG ARG 5 -7.478 -2.893 2.982
38 HD2 ARG 5 2HD ARG 5 -9.630 -4.031 3.095
39 HD3 ARG 5 1HD ARG 5 -8.995 -5.138 4.304
40 HE ARG 5 HE ARG 5 -8.870 -2.351 5.022
41 HH11 ARG 5 1HH1 ARG 5 -10.818 -5.321 5.115
42 HH12 ARG 5 2HH1 ARG 5 -11.750 -4.824 6.443
43 HH21 ARG 5 1HH2 ARG 5 -10.199 -1.666 6.853
44 HH22 ARG 5 2HH2 ARG 5 -11.413 -2.702 7.441
45 H DAR 6 H DAR 6 -3.899 -6.489 2.005
46 HA DAR 6 HA DAR 6 -5.132 -8.502 0.378
47 HB2 DAR 6 1HB DAR 6 -3.787 -9.054 2.388
48 HB3 DAR 6 2HB DAR 6 -2.358 -8.436 1.577
49 HG2 DAR 6 1HG DAR 6 -2.602 -10.151 -0.147
50 HG3 DAR 6 2HG DAR 6 -4.010 -10.796 0.698
51 HD2 DAR 6 1HD DAR 6 -2.588 -11.193 2.676
52 HD3 DAR 6 2HD DAR 6 -1.196 -10.633 1.751
53 HE DAR 6 HE DAR 6 -2.706 -12.786 0.571
54 HH11 DAR 6 1HH2 DAR 6 -1.737 -14.867 0.442
55 HH12 DAR 6 2HH2 DAR 6 -0.216 -15.160 1.178
56 HH21 DAR 6 1HH1 DAR 6 0.189 -11.846 2.366
57 HH22 DAR 6 2HH1 DAR 6 0.891 -13.400 2.304
58 H VAL 7 H VAL 7 -1.976 -6.871 0.161
59 HA VAL 7 HA VAL 7 -2.103 -7.269 -2.726
60 HB VAL 7 HB VAL 7 -0.875 -5.101 -3.020
61 HG11 VAL 7 1HG1 VAL 7 -2.817 -3.632 -2.738
62 HG12 VAL 7 2HG1 VAL 7 -3.577 -4.843 -1.703
63 HG13 VAL 7 3HG1 VAL 7 -3.277 -5.199 -3.404
64 HG21 VAL 7 1HG2 VAL 7 0.020 -4.901 -0.756
65 HG22 VAL 7 2HG2 VAL 7 -1.605 -4.639 -0.127
66 HG23 VAL 7 3HG2 VAL 7 -0.877 -3.453 -1.212
67 H SER 8 H SER 8 0.022 -7.310 -3.719
68 HA SER 8 HA SER 8 1.726 -9.090 -2.397
69 HB2 SER 8 2HB SER 8 1.474 -9.013 -4.832
70 HB3 SER 8 1HB SER 8 2.182 -7.400 -4.870
71 HG SER 8 HG SER 8 3.591 -9.123 -5.417
72 HA PRO 9 HA PRO 9 4.024 -6.502 0.421
73 HB2 PRO 9 2HB PRO 9 6.221 -8.279 -0.519
74 HB3 PRO 9 1HB PRO 9 5.788 -7.812 1.131
75 HG2 PRO 9 2HG PRO 9 5.096 -10.197 0.205
76 HG3 PRO 9 1HG PRO 9 3.980 -9.256 1.206
77 HD2 PRO 9 2HD PRO 9 3.880 -9.792 -1.718
78 HD3 PRO 9 1HD PRO 9 2.567 -9.506 -0.562
79 H GLU 10 H GLU 10 5.781 -7.352 -2.568
80 HA GLU 10 HA GLU 10 7.509 -5.126 -2.484
81 HB2 GLU 10 2HB GLU 10 7.977 -7.157 -3.795
82 HB3 GLU 10 1HB GLU 10 6.645 -6.759 -4.869
83 HG2 GLU 10 2HG GLU 10 7.805 -4.712 -5.537
84 HG3 GLU 10 1HG GLU 10 9.139 -5.134 -4.465
85 H GLU 11 H GLU 11 4.479 -5.709 -4.221
86 HA GLU 11 HA GLU 11 4.377 -3.207 -5.518
87 HB2 GLU 11 2HB GLU 11 2.093 -5.023 -4.710
88 HB3 GLU 11 1HB GLU 11 1.995 -3.719 -5.883
89 HG2 GLU 11 2HG GLU 11 3.705 -6.187 -6.164
90 HG3 GLU 11 1HG GLU 11 2.141 -5.945 -6.928
91 H CYS 12 H CYS 12 3.262 -4.384 -2.443
92 HA CYS 12 HA CYS 12 1.804 -2.275 -1.429
93 HB2 CYS 12 2HB CYS 12 1.886 -4.340 -0.229
94 HB3 CYS 12 1HB CYS 12 3.634 -4.270 -0.110
95 H ARG 13 H ARG 13 5.330 -2.805 -1.011
96 HA ARG 13 HA ARG 13 5.669 -0.264 0.201
97 HB2 ARG 13 2HB ARG 13 8.136 -0.609 -0.130
98 HB3 ARG 13 1HB ARG 13 7.332 -1.937 0.686
99 HG2 ARG 13 2HG ARG 13 7.288 -3.154 -1.470
100 HG3 ARG 13 1HG ARG 13 8.226 -1.847 -2.184
101 HD2 ARG 13 2HD ARG 13 10.023 -2.264 -0.580
102 HD3 ARG 13 1HD ARG 13 9.073 -3.557 0.153
103 HE ARG 13 HE ARG 13 9.584 -3.798 -2.676
104 HH11 ARG 13 1HH1 ARG 13 10.768 -4.657 0.560
105 HH12 ARG 13 2HH1 ARG 13 11.605 -6.045 0.025
106 HH21 ARG 13 1HH2 ARG 13 10.762 -5.769 -3.381
107 HH22 ARG 13 2HH2 ARG 13 11.581 -6.683 -2.203
108 H LYS 14 H LYS 14 5.799 -1.313 -3.117
109 HA LYS 14 HA LYS 14 6.730 1.109 -4.197
110 HB2 LYS 14 2HB LYS 14 5.031 -1.092 -5.368
111 HB3 LYS 14 1HB LYS 14 5.594 0.283 -6.311
112 HG2 LYS 14 2HG LYS 14 7.864 -0.346 -6.066
113 HG3 LYS 14 1HG LYS 14 7.480 -1.502 -4.796
114 HD2 LYS 14 2HD LYS 14 7.991 -2.606 -6.928
115 HD3 LYS 14 1HD LYS 14 6.345 -2.929 -6.402
116 HE2 LYS 14 2HE LYS 14 5.536 -1.209 -7.963
117 HE3 LYS 14 1HE LYS 14 7.194 -0.928 -8.494
118 HZ1 LYS 14 1HZ LYS 14 5.961 -2.439 -9.967
119 HZ2 LYS 14 2HZ LYS 14 5.767 -3.520 -8.683
120 HZ3 LYS 14 3HZ LYS 14 7.300 -3.190 -9.287
121 H TYR 15 H TYR 15 3.443 0.033 -3.360
122 HA TYR 15 HA TYR 15 2.095 2.323 -4.318
123 HB2 TYR 15 2HB TYR 15 1.332 0.536 -1.993
124 HB3 TYR 15 1HB TYR 15 0.287 1.759 -2.689
125 HD1 TYR 15 1HD TYR 15 -0.024 -1.343 -2.337
126 HD2 TYR 15 2HD TYR 15 0.977 1.150 -5.634
127 HE1 TYR 15 1HE TYR 15 -0.899 -3.031 -3.879
128 HE2 TYR 15 2HE TYR 15 0.101 -0.518 -7.170
129 HH TYR 15 HH TYR 15 -0.254 -2.934 -7.154
130 H LYS 16 H LYS 16 3.607 1.584 -1.248
131 HA LYS 16 HA LYS 16 2.884 3.917 0.126
132 HB2 LYS 16 2HB LYS 16 5.382 2.254 0.391
133 HB3 LYS 16 1HB LYS 16 4.935 3.561 1.477
134 HG2 LYS 16 2HG LYS 16 2.901 2.337 2.098
135 HG3 LYS 16 1HG LYS 16 3.377 1.022 1.022
136 HD2 LYS 16 2HD LYS 16 3.965 0.531 3.355
137 HD3 LYS 16 1HD LYS 16 5.404 0.662 2.345
138 HE2 LYS 16 2HE LYS 16 5.764 2.954 3.150
139 HE3 LYS 16 1HE LYS 16 4.308 2.836 4.138
140 HZ1 LYS 16 1HZ LYS 16 6.738 1.163 4.421
141 HZ2 LYS 16 2HZ LYS 16 5.371 1.082 5.392
142 HZ3 LYS 16 3HZ LYS 16 6.324 2.461 5.408
143 H GLU 17 H GLU 17 5.582 3.257 -1.983
144 HA GLU 17 HA GLU 17 6.822 5.785 -1.758
145 HB2 GLU 17 2HB GLU 17 7.879 3.731 -2.626
146 HB3 GLU 17 1HB GLU 17 6.859 3.822 -4.050
147 HG2 GLU 17 2HG GLU 17 7.926 5.912 -4.693
148 HG3 GLU 17 1HG GLU 17 8.916 5.857 -3.234
149 H GLU 18 H GLU 18 4.462 4.467 -3.971
150 HA GLU 18 HA GLU 18 4.355 6.576 -5.836
151 HB2 GLU 18 2HB GLU 18 3.632 4.279 -6.295
152 HB3 GLU 18 1HB GLU 18 2.312 4.465 -5.161
153 HG2 GLU 18 2HG GLU 18 1.521 4.623 -7.441
154 HG3 GLU 18 1HG GLU 18 1.308 6.157 -6.605
155 H TYR 19 H TYR 19 2.056 5.743 -3.228
156 HA TYR 19 HA TYR 19 0.650 8.217 -3.858
157 HB2 TYR 19 2HB TYR 19 -0.211 5.962 -2.069
158 HB3 TYR 19 1HB TYR 19 -1.214 7.306 -2.601
159 HD1 TYR 19 1HD TYR 19 -1.785 7.464 -5.084
160 HD2 TYR 19 2HD TYR 19 0.032 4.028 -3.361
161 HE1 TYR 19 1HE TYR 19 -2.466 6.128 -7.032
162 HE2 TYR 19 2HE TYR 19 -0.640 2.684 -5.291
163 HH TYR 19 HH TYR 19 -2.373 2.745 -7.056
164 H DSG 20 H DAS 20 3.068 7.389 -1.716
165 HA DSG 20 HA DAS 20 2.545 9.745 -0.227
166 HB2 DSG 20 1HB DAS 20 4.772 9.329 -1.038
167 HB3 DSG 20 2HB DAS 20 4.813 7.765 -0.248
168 HD21 DSG 20 1HD2 DAS 20 6.611 8.219 0.845
169 HD22 DSG 20 2HD2 DAS 20 6.653 9.314 2.166
170 H CYS 21 H CYS 21 0.837 9.372 1.074
171 HA CYS 21 HA CYS 21 1.367 7.721 3.412
172 HB2 CYS 21 2HB CYS 21 0.777 10.048 3.852
173 HB3 CYS 21 1HB CYS 21 -0.693 9.880 2.901
174 H VAL 22 H VAL 22 0.736 5.683 3.010
175 HA VAL 22 HA VAL 22 -2.078 5.259 2.562
176 HB VAL 22 HB VAL 22 -1.610 3.308 0.998
177 HG11 VAL 22 1HG1 VAL 22 -2.560 5.358 0.162
178 HG12 VAL 22 2HG1 VAL 22 -1.460 4.650 -1.021
179 HG13 VAL 22 3HG1 VAL 22 -0.949 6.037 -0.052
180 HG21 VAL 22 1HG2 VAL 22 0.474 3.351 -0.293
181 HG22 VAL 22 2HG2 VAL 22 0.774 3.075 1.424
182 HG23 VAL 22 3HG2 VAL 22 1.057 4.671 0.724
183 H ARG 23 H ARG 23 -2.705 3.110 3.114
184 HA ARG 23 HA ARG 23 -0.965 1.999 5.202
185 HB2 ARG 23 2HB ARG 23 -3.979 1.819 4.954
186 HB3 ARG 23 1HB ARG 23 -2.998 1.214 6.279
187 HG2 ARG 23 2HG ARG 23 -3.454 4.100 5.538
188 HG3 ARG 23 1HG ARG 23 -4.106 3.253 6.939
189 HD2 ARG 23 2HD ARG 23 -1.193 3.795 6.378
190 HD3 ARG 23 1HD ARG 23 -2.195 4.651 7.546
191 HE ARG 23 HE ARG 23 -2.409 2.085 8.304
192 HH11 ARG 23 1HH1 ARG 23 0.396 4.144 7.626
193 HH12 ARG 23 2HH1 ARG 23 1.400 3.443 8.804
194 HH21 ARG 23 1HH2 ARG 23 -1.033 1.093 9.935
195 HH22 ARG 23 2HH2 ARG 23 0.542 1.651 10.178
196 H CYS 24 H CYS 24 -0.763 -0.272 5.206
197 HA CYS 24 HA CYS 24 -1.838 -1.602 2.848
198 HB2 CYS 24 2HB CYS 24 0.402 -0.801 2.317
199 HB3 CYS 24 1HB CYS 24 1.035 -1.573 3.761
200 H THR 25 H THR 25 -2.720 -3.479 3.401
201 HA THR 25 HA THR 25 -1.968 -4.613 5.973
202 HB THR 25 HB THR 25 -4.376 -5.388 4.318
203 HG1 THR 25 1HG THR 25 -3.858 -3.065 5.728
204 HG21 THR 25 1HG2 THR 25 -5.263 -6.028 6.524
205 HG22 THR 25 2HG2 THR 25 -3.769 -5.484 7.283
206 HG23 THR 25 3HG2 THR 25 -3.747 -6.861 6.181
207 H GLU 26 H GLU 26 -0.233 -5.791 5.482
208 HA GLU 26 HA GLU 26 -0.483 -8.286 4.264
209 HB2 GLU 26 2HB GLU 26 -0.128 -7.105 2.142
210 HB3 GLU 26 1HB GLU 26 1.234 -6.228 2.817
211 HG2 GLU 26 2HG GLU 26 2.027 -7.960 1.324
212 HG3 GLU 26 1HG GLU 26 2.507 -8.321 2.974
Start of MODEL 12
1 H1 CYS 1 1HT CYS 1 -6.199 8.138 3.857
2 H2 CYS 1 2HT CYS 1 -4.982 8.749 4.876
3 H3 CYS 1 3HT CYS 1 -5.791 7.318 5.266
4 HA CYS 1 HA CYS 1 -4.155 7.644 2.872
5 HB2 CYS 1 2HB CYS 1 -3.495 6.201 5.467
6 HB3 CYS 1 1HB CYS 1 -2.462 6.331 4.048
7 H GLN 2 H GLN 2 -4.612 6.096 1.412
8 HA GLN 2 HA GLN 2 -6.810 4.408 1.723
9 HB2 GLN 2 2HB GLN 2 -4.600 4.255 -0.325
10 HB3 GLN 2 1HB GLN 2 -6.115 3.374 -0.418
11 HG2 GLN 2 2HG GLN 2 -5.761 6.361 -0.494
12 HG3 GLN 2 1HG GLN 2 -6.211 5.312 -1.836
13 HE21 GLN 2 1HE2 GLN 2 -7.618 7.565 -0.746
14 HE22 GLN 2 2HE2 GLN 2 -9.166 6.998 -0.244
15 H THR 3 H THR 3 -7.052 2.213 1.963
16 HA THR 3 HA THR 3 -4.781 0.869 3.217
17 HB THR 3 HB THR 3 -7.723 0.196 3.448
18 HG1 THR 3 1HG THR 3 -6.378 2.274 4.376
19 HG21 THR 3 1HG2 THR 3 -6.140 -1.616 4.050
20 HG22 THR 3 2HG2 THR 3 -6.985 -1.006 5.474
21 HG23 THR 3 3HG2 THR 3 -5.319 -0.519 5.161
22 H TRP 4 H TRP 4 -3.826 -0.490 1.890
23 HA TRP 4 HA TRP 4 -5.308 -1.714 -0.338
24 HB2 TRP 4 2HB TRP 4 -2.327 -1.583 0.140
25 HB3 TRP 4 1HB TRP 4 -3.136 -2.150 -1.315
26 HD1 TRP 4 HD TRP 4 -1.900 0.949 0.384
27 HE1 TRP 4 1HE TRP 4 -2.294 2.979 -1.163
28 HE3 TRP 4 3HE TRP 4 -4.869 -1.249 -3.126
29 HZ2 TRP 4 2HZ TRP 4 -3.646 3.569 -3.500
30 HZ3 TRP 4 3HZ TRP 4 -5.686 0.125 -5.008
31 HH2 TRP 4 HH TRP 4 -5.090 2.486 -5.188
32 H ARG 5 H ARG 5 -5.949 -3.770 -0.020
33 HA ARG 5 HA ARG 5 -4.255 -5.424 1.694
34 HB2 ARG 5 2HB ARG 5 -7.247 -5.756 1.388
35 HB3 ARG 5 1HB ARG 5 -6.193 -6.625 2.490
36 HG2 ARG 5 2HG ARG 5 -5.715 -4.362 3.575
37 HG3 ARG 5 1HG ARG 5 -7.067 -3.761 2.624
38 HD2 ARG 5 2HD ARG 5 -7.925 -4.341 4.754
39 HD3 ARG 5 1HD ARG 5 -8.456 -5.578 3.614
40 HE ARG 5 HE ARG 5 -6.010 -6.273 4.947
41 HH11 ARG 5 1HH1 ARG 5 -9.563 -6.459 5.212
42 HH12 ARG 5 2HH1 ARG 5 -9.496 -7.672 6.409
43 HH21 ARG 5 1HH2 ARG 5 -5.985 -7.882 6.594
44 HH22 ARG 5 2HH2 ARG 5 -7.454 -8.462 7.222
45 H DAR 6 H DAR 6 -4.380 -7.765 1.191
46 HA DAR 6 HA DAR 6 -5.267 -8.818 -1.225
47 HB2 DAR 6 1HB DAR 6 -4.359 -10.165 0.664
48 HB3 DAR 6 2HB DAR 6 -2.752 -9.546 0.324
49 HG2 DAR 6 1HG DAR 6 -2.891 -10.614 -1.927
50 HG3 DAR 6 2HG DAR 6 -4.414 -11.344 -1.422
51 HD2 DAR 6 1HD DAR 6 -1.736 -11.761 -0.101
52 HD3 DAR 6 2HD DAR 6 -2.550 -12.910 -1.152
53 HE DAR 6 HE DAR 6 -4.174 -12.175 1.069
54 HH11 DAR 6 1HH2 DAR 6 -4.486 -13.663 2.819
55 HH12 DAR 6 2HH2 DAR 6 -3.495 -15.033 3.004
56 HH21 DAR 6 1HH1 DAR 6 -1.528 -14.367 0.103
57 HH22 DAR 6 2HH1 DAR 6 -1.764 -15.432 1.413
58 H VAL 7 H VAL 7 -2.183 -7.343 -0.380
59 HA VAL 7 HA VAL 7 -1.514 -7.134 -3.200
60 HB VAL 7 HB VAL 7 -0.477 -4.917 -2.763
61 HG11 VAL 7 1HG1 VAL 7 -2.693 -4.990 -3.692
62 HG12 VAL 7 2HG1 VAL 7 -2.573 -3.617 -2.588
63 HG13 VAL 7 3HG1 VAL 7 -3.400 -5.087 -2.085
64 HG21 VAL 7 1HG2 VAL 7 -1.022 -3.673 -0.708
65 HG22 VAL 7 2HG2 VAL 7 -0.075 -5.121 -0.352
66 HG23 VAL 7 3HG2 VAL 7 -1.814 -5.107 -0.055
67 H SER 8 H SER 8 0.682 -7.289 -3.639
68 HA SER 8 HA SER 8 2.112 -8.968 -1.867
69 HB2 SER 8 2HB SER 8 3.841 -8.792 -3.668
70 HB3 SER 8 1HB SER 8 2.246 -9.264 -4.261
71 HG SER 8 HG SER 8 2.307 -7.612 -5.480
72 HA PRO 9 HA PRO 9 4.687 -6.020 0.340
73 HB2 PRO 9 2HB PRO 9 7.088 -7.423 -0.710
74 HB3 PRO 9 1HB PRO 9 6.639 -7.096 0.966
75 HG2 PRO 9 2HG PRO 9 6.452 -9.554 -0.049
76 HG3 PRO 9 1HG PRO 9 5.245 -8.937 1.090
77 HD2 PRO 9 2HD PRO 9 5.063 -9.272 -1.869
78 HD3 PRO 9 1HD PRO 9 3.814 -9.504 -0.631
79 H GLU 10 H GLU 10 5.543 -6.965 -2.898
80 HA GLU 10 HA GLU 10 7.139 -4.735 -3.555
81 HB2 GLU 10 2HB GLU 10 5.619 -6.597 -5.385
82 HB3 GLU 10 1HB GLU 10 6.864 -5.463 -5.890
83 HG2 GLU 10 2HG GLU 10 7.205 -7.877 -4.128
84 HG3 GLU 10 1HG GLU 10 7.837 -7.641 -5.758
85 H GLU 11 H GLU 11 3.705 -5.518 -4.346
86 HA GLU 11 HA GLU 11 3.114 -3.048 -5.502
87 HB2 GLU 11 2HB GLU 11 1.390 -5.059 -4.084
88 HB3 GLU 11 1HB GLU 11 0.715 -3.537 -4.641
89 HG2 GLU 11 2HG GLU 11 2.092 -5.559 -6.393
90 HG3 GLU 11 1HG GLU 11 0.346 -5.409 -6.197
91 H CYS 12 H CYS 12 2.914 -4.081 -2.143
92 HA CYS 12 HA CYS 12 1.837 -1.796 -1.004
93 HB2 CYS 12 2HB CYS 12 2.169 -3.859 0.264
94 HB3 CYS 12 1HB CYS 12 3.913 -3.690 0.132
95 H ARG 13 H ARG 13 5.292 -2.558 -1.521
96 HA ARG 13 HA ARG 13 6.361 -0.154 -0.534
97 HB2 ARG 13 2HB ARG 13 7.659 -2.231 -1.009
98 HB3 ARG 13 1HB ARG 13 7.463 -1.920 -2.726
99 HG2 ARG 13 2HG ARG 13 9.656 -1.205 -2.058
100 HG3 ARG 13 1HG ARG 13 8.687 0.222 -2.427
101 HD2 ARG 13 2HD ARG 13 10.006 0.515 -0.378
102 HD3 ARG 13 1HD ARG 13 8.275 0.584 -0.060
103 HE ARG 13 HE ARG 13 9.286 -2.042 0.228
104 HH11 ARG 13 1HH1 ARG 13 9.260 1.046 1.941
105 HH12 ARG 13 2HH1 ARG 13 9.257 0.351 3.497
106 HH21 ARG 13 1HH2 ARG 13 9.266 -2.994 2.341
107 HH22 ARG 13 2HH2 ARG 13 9.308 -2.001 3.731
108 H LYS 14 H LYS 14 5.410 -1.188 -3.719
109 HA LYS 14 HA LYS 14 6.171 1.026 -5.195
110 HB2 LYS 14 2HB LYS 14 5.801 -0.996 -6.284
111 HB3 LYS 14 1HB LYS 14 4.236 -1.210 -5.546
112 HG2 LYS 14 2HG LYS 14 3.238 0.322 -7.041
113 HG3 LYS 14 1HG LYS 14 4.816 0.871 -7.632
114 HD2 LYS 14 2HD LYS 14 5.261 -1.164 -8.700
115 HD3 LYS 14 1HD LYS 14 4.018 -2.009 -7.785
116 HE2 LYS 14 2HE LYS 14 3.435 0.146 -9.791
117 HE3 LYS 14 1HE LYS 14 3.498 -1.570 -10.188
118 HZ1 LYS 14 1HZ LYS 14 1.255 -0.916 -9.777
119 HZ2 LYS 14 2HZ LYS 14 1.629 -0.287 -8.262
120 HZ3 LYS 14 3HZ LYS 14 1.750 -1.962 -8.541
121 H TYR 15 H TYR 15 3.045 0.370 -3.589
122 HA TYR 15 HA TYR 15 1.812 2.756 -4.541
123 HB2 TYR 15 2HB TYR 15 1.143 1.207 -2.023
124 HB3 TYR 15 1HB TYR 15 0.140 2.446 -2.757
125 HD1 TYR 15 1HD TYR 15 -0.104 -0.717 -2.121
126 HD2 TYR 15 2HD TYR 15 0.257 1.669 -5.619
127 HE1 TYR 15 1HE TYR 15 -1.221 -2.457 -3.417
128 HE2 TYR 15 2HE TYR 15 -0.866 -0.057 -6.920
129 HH TYR 15 HH TYR 15 -1.089 -2.617 -6.655
130 H LYS 16 H LYS 16 3.594 1.950 -1.629
131 HA LYS 16 HA LYS 16 3.323 4.421 -0.300
132 HB2 LYS 16 2HB LYS 16 5.572 2.395 -0.197
133 HB3 LYS 16 1HB LYS 16 5.402 3.748 0.913
134 HG2 LYS 16 2HG LYS 16 3.404 2.840 1.846
135 HG3 LYS 16 1HG LYS 16 3.298 1.621 0.579
136 HD2 LYS 16 2HD LYS 16 4.109 0.615 2.635
137 HD3 LYS 16 1HD LYS 16 5.374 0.595 1.413
138 HE2 LYS 16 2HE LYS 16 6.345 1.204 3.509
139 HE3 LYS 16 1HE LYS 16 6.344 2.626 2.475
140 HZ1 LYS 16 1HZ LYS 16 5.664 3.155 4.716
141 HZ2 LYS 16 2HZ LYS 16 4.409 2.064 4.667
142 HZ3 LYS 16 3HZ LYS 16 4.372 3.431 3.684
143 H GLU 17 H GLU 17 5.765 3.232 -2.523
144 HA GLU 17 HA GLU 17 7.410 5.514 -2.591
145 HB2 GLU 17 2HB GLU 17 8.031 3.223 -3.304
146 HB3 GLU 17 1HB GLU 17 6.947 3.373 -4.669
147 HG2 GLU 17 2HG GLU 17 8.336 5.165 -5.571
148 HG3 GLU 17 1HG GLU 17 9.416 5.014 -4.182
149 H GLU 18 H GLU 18 4.560 4.578 -4.358
150 HA GLU 18 HA GLU 18 4.666 6.511 -6.430
151 HB2 GLU 18 2HB GLU 18 3.329 4.375 -6.452
152 HB3 GLU 18 1HB GLU 18 2.258 5.111 -5.290
153 HG2 GLU 18 2HG GLU 18 1.316 5.196 -7.511
154 HG3 GLU 18 1HG GLU 18 1.632 6.817 -6.895
155 H TYR 19 H TYR 19 2.604 6.326 -3.537
156 HA TYR 19 HA TYR 19 1.730 9.065 -4.083
157 HB2 TYR 19 2HB TYR 19 0.527 7.009 -2.240
158 HB3 TYR 19 1HB TYR 19 -0.141 8.599 -2.581
159 HD1 TYR 19 1HD TYR 19 -0.788 9.108 -5.015
160 HD2 TYR 19 2HD TYR 19 -0.021 5.171 -3.593
161 HE1 TYR 19 1HE TYR 19 -2.010 8.183 -6.925
162 HE2 TYR 19 2HE TYR 19 -1.242 4.236 -5.506
163 HH TYR 19 HH TYR 19 -2.981 4.969 -7.083
164 H DSG 20 H DAS 20 2.755 7.155 -1.244
165 HA DSG 20 HA DAS 20 2.948 9.668 0.247
166 HB2 DSG 20 1HB DAS 20 5.014 7.439 0.400
167 HB3 DSG 20 2HB DAS 20 4.997 8.879 1.399
168 HD21 DSG 20 1HD2 DAS 20 5.822 7.559 -1.614
169 HD22 DSG 20 2HD2 DAS 20 6.697 8.911 -2.243
170 H CYS 21 H CYS 21 1.302 9.382 1.653
171 HA CYS 21 HA CYS 21 1.574 7.175 3.463
172 HB2 CYS 21 2HB CYS 21 1.056 9.433 4.327
173 HB3 CYS 21 1HB CYS 21 -0.495 9.373 3.496
174 H VAL 22 H VAL 22 0.970 5.308 2.637
175 HA VAL 22 HA VAL 22 -1.875 4.944 2.322
176 HB VAL 22 HB VAL 22 -1.547 3.239 0.544
177 HG11 VAL 22 1HG1 VAL 22 -1.090 4.713 -1.373
178 HG12 VAL 22 2HG1 VAL 22 -0.537 5.959 -0.249
179 HG13 VAL 22 3HG1 VAL 22 -2.213 5.407 -0.207
180 HG21 VAL 22 1HG2 VAL 22 0.758 2.622 0.951
181 HG22 VAL 22 2HG2 VAL 22 1.291 4.223 0.421
182 HG23 VAL 22 3HG2 VAL 22 0.521 3.121 -0.727
183 H ARG 23 H ARG 23 -2.520 2.828 3.099
184 HA ARG 23 HA ARG 23 -0.415 1.724 4.785
185 HB2 ARG 23 2HB ARG 23 -2.329 3.035 5.873
186 HB3 ARG 23 1HB ARG 23 -3.361 1.699 5.388
187 HG2 ARG 23 2HG ARG 23 -2.725 1.415 7.641
188 HG3 ARG 23 1HG ARG 23 -1.900 0.169 6.686
189 HD2 ARG 23 2HD ARG 23 0.123 1.626 6.650
190 HD3 ARG 23 1HD ARG 23 -0.725 2.762 7.693
191 HE ARG 23 HE ARG 23 -0.547 0.084 8.718
192 HH11 ARG 23 1HH1 ARG 23 0.921 3.325 8.646
193 HH12 ARG 23 2HH1 ARG 23 1.985 2.995 9.923
194 HH21 ARG 23 1HH2 ARG 23 0.939 -0.327 10.451
195 HH22 ARG 23 2HH2 ARG 23 1.995 0.925 10.981
196 H CYS 24 H CYS 24 -0.056 -0.388 4.490
197 HA CYS 24 HA CYS 24 -1.762 -1.803 2.624
198 HB2 CYS 24 2HB CYS 24 0.840 -2.687 3.893
199 HB3 CYS 24 1HB CYS 24 0.035 -3.414 2.506
200 H THR 25 H THR 25 -2.131 -4.182 3.209
201 HA THR 25 HA THR 25 -3.641 -4.301 5.557
202 HB THR 25 HB THR 25 -4.182 -5.667 3.599
203 HG1 THR 25 1HG THR 25 -3.629 -7.616 5.508
204 HG21 THR 25 1HG2 THR 25 -2.878 -7.711 3.064
205 HG22 THR 25 2HG2 THR 25 -1.688 -7.239 4.272
206 HG23 THR 25 3HG2 THR 25 -1.932 -6.243 2.842
207 H GLU 26 H GLU 26 -3.282 -5.172 7.510
208 HA GLU 26 HA GLU 26 -0.659 -6.263 8.097
209 HB2 GLU 26 2HB GLU 26 -2.104 -4.089 9.637
210 HB3 GLU 26 1HB GLU 26 -0.644 -4.906 10.179
211 HG2 GLU 26 2HG GLU 26 0.641 -3.952 8.420
212 HG3 GLU 26 1HG GLU 26 -0.803 -3.344 7.616
Start of MODEL 13
1 H1 CYS 1 1HT CYS 1 -6.688 7.882 4.593
2 H2 CYS 1 2HT CYS 1 -7.175 8.556 3.133
3 H3 CYS 1 3HT CYS 1 -6.101 9.405 4.117
4 HA CYS 1 HA CYS 1 -4.985 8.415 2.259
5 HB2 CYS 1 2HB CYS 1 -4.365 7.013 4.885
6 HB3 CYS 1 1HB CYS 1 -3.276 7.159 3.516
7 H GLN 2 H GLN 2 -4.589 6.634 0.934
8 HA GLN 2 HA GLN 2 -6.710 4.840 0.596
9 HB2 GLN 2 2HB GLN 2 -3.881 4.645 -0.484
10 HB3 GLN 2 1HB GLN 2 -5.234 3.691 -1.032
11 HG2 GLN 2 2HG GLN 2 -4.772 5.430 -2.629
12 HG3 GLN 2 1HG GLN 2 -6.325 5.743 -1.868
13 HE21 GLN 2 1HE2 GLN 2 -6.218 7.909 -2.447
14 HE22 GLN 2 2HE2 GLN 2 -5.157 9.021 -1.657
15 H THR 3 H THR 3 -6.852 2.618 0.968
16 HA THR 3 HA THR 3 -4.834 1.503 2.767
17 HB THR 3 HB THR 3 -7.823 0.942 2.872
18 HG1 THR 3 1HG THR 3 -6.725 3.096 3.642
19 HG21 THR 3 1HG2 THR 3 -7.269 -0.163 5.017
20 HG22 THR 3 2HG2 THR 3 -5.562 0.184 4.754
21 HG23 THR 3 3HG2 THR 3 -6.413 -0.918 3.672
22 H TRP 4 H TRP 4 -3.765 0.108 1.553
23 HA TRP 4 HA TRP 4 -5.044 -1.205 -0.681
24 HB2 TRP 4 2HB TRP 4 -2.165 -1.320 0.249
25 HB3 TRP 4 1HB TRP 4 -2.787 -1.907 -1.293
26 HD1 TRP 4 HD TRP 4 -1.325 1.108 0.266
27 HE1 TRP 4 1HE TRP 4 -1.541 3.138 -1.315
28 HE3 TRP 4 3HE TRP 4 -4.570 -0.850 -3.111
29 HZ2 TRP 4 2HZ TRP 4 -2.916 3.821 -3.664
30 HZ3 TRP 4 3HZ TRP 4 -5.313 0.553 -5.009
31 HH2 TRP 4 HH TRP 4 -4.496 2.844 -5.273
32 H ARG 5 H ARG 5 -6.010 -3.028 -0.442
33 HA ARG 5 HA ARG 5 -5.485 -4.659 1.928
34 HB2 ARG 5 2HB ARG 5 -7.822 -4.605 0.035
35 HB3 ARG 5 1HB ARG 5 -7.693 -5.595 1.479
36 HG2 ARG 5 2HG ARG 5 -7.749 -3.680 2.895
37 HG3 ARG 5 1HG ARG 5 -7.610 -2.592 1.513
38 HD2 ARG 5 2HD ARG 5 -9.917 -4.451 2.074
39 HD3 ARG 5 1HD ARG 5 -9.913 -2.704 2.328
40 HE ARG 5 HE ARG 5 -9.239 -3.492 -0.347
41 HH11 ARG 5 1HH1 ARG 5 -11.952 -2.838 1.788
42 HH12 ARG 5 2HH1 ARG 5 -13.018 -2.402 0.529
43 HH21 ARG 5 1HH2 ARG 5 -10.642 -2.855 -2.063
44 HH22 ARG 5 2HH2 ARG 5 -12.229 -2.372 -1.737
45 H DAR 6 H DAR 6 -4.806 -6.658 1.759
46 HA DAR 6 HA DAR 6 -5.142 -8.556 -0.210
47 HB2 DAR 6 1HB DAR 6 -2.903 -8.157 1.751
48 HB3 DAR 6 2HB DAR 6 -2.937 -9.520 0.649
49 HG2 DAR 6 1HG DAR 6 -4.936 -10.369 1.621
50 HG3 DAR 6 2HG DAR 6 -5.123 -8.924 2.612
51 HD2 DAR 6 1HD DAR 6 -4.155 -10.960 3.781
52 HD3 DAR 6 2HD DAR 6 -3.242 -9.467 3.940
53 HE DAR 6 HE DAR 6 -1.995 -10.538 1.880
54 HH11 DAR 6 1HH2 DAR 6 -0.152 -11.895 1.982
55 HH12 DAR 6 2HH2 DAR 6 -0.026 -13.058 3.221
56 HH21 DAR 6 1HH1 DAR 6 -3.037 -12.211 4.842
57 HH22 DAR 6 2HH1 DAR 6 -1.679 -13.224 4.862
58 H VAL 7 H VAL 7 -2.146 -6.737 0.239
59 HA VAL 7 HA VAL 7 -1.592 -7.164 -2.579
60 HB VAL 7 HB VAL 7 -0.236 -5.024 -2.491
61 HG11 VAL 7 1HG1 VAL 7 -2.452 -5.031 -3.497
62 HG12 VAL 7 2HG1 VAL 7 -2.144 -3.504 -2.678
63 HG13 VAL 7 3HG1 VAL 7 -3.181 -4.717 -1.924
64 HG21 VAL 7 1HG2 VAL 7 -0.721 -3.406 -0.716
65 HG22 VAL 7 2HG2 VAL 7 0.048 -4.858 -0.066
66 HG23 VAL 7 3HG2 VAL 7 -1.691 -4.614 0.121
67 H SER 8 H SER 8 0.500 -7.717 -3.069
68 HA SER 8 HA SER 8 1.924 -9.143 -1.038
69 HB2 SER 8 2HB SER 8 2.825 -8.432 -3.844
70 HB3 SER 8 1HB SER 8 3.339 -9.806 -2.864
71 HG SER 8 HG SER 8 0.884 -9.326 -4.139
72 HA PRO 9 HA PRO 9 4.732 -5.995 0.490
73 HB2 PRO 9 2HB PRO 9 6.889 -7.810 -0.525
74 HB3 PRO 9 1HB PRO 9 6.778 -6.976 1.035
75 HG2 PRO 9 2HG PRO 9 6.168 -9.524 0.922
76 HG3 PRO 9 1HG PRO 9 5.105 -8.421 1.816
77 HD2 PRO 9 2HD PRO 9 4.704 -9.655 -0.881
78 HD3 PRO 9 1HD PRO 9 3.523 -9.345 0.407
79 H GLU 10 H GLU 10 5.628 -7.357 -2.652
80 HA GLU 10 HA GLU 10 7.216 -5.237 -3.592
81 HB2 GLU 10 2HB GLU 10 5.435 -7.056 -5.242
82 HB3 GLU 10 1HB GLU 10 6.740 -6.072 -5.870
83 HG2 GLU 10 2HG GLU 10 7.499 -8.333 -5.776
84 HG3 GLU 10 1HG GLU 10 8.323 -7.443 -4.500
85 H GLU 11 H GLU 11 3.810 -5.959 -4.129
86 HA GLU 11 HA GLU 11 3.059 -3.663 -5.566
87 HB2 GLU 11 2HB GLU 11 1.377 -5.346 -3.694
88 HB3 GLU 11 1HB GLU 11 0.764 -4.300 -4.967
89 HG2 GLU 11 2HG GLU 11 1.765 -5.750 -6.643
90 HG3 GLU 11 1HG GLU 11 2.440 -6.772 -5.377
91 H CYS 12 H CYS 12 3.018 -4.485 -2.170
92 HA CYS 12 HA CYS 12 1.736 -2.308 -1.065
93 HB2 CYS 12 2HB CYS 12 2.297 -4.373 0.147
94 HB3 CYS 12 1HB CYS 12 3.998 -3.935 0.093
95 H ARG 13 H ARG 13 5.282 -2.796 -1.329
96 HA ARG 13 HA ARG 13 5.942 -0.227 -0.422
97 HB2 ARG 13 2HB ARG 13 7.522 -2.152 -0.532
98 HB3 ARG 13 1HB ARG 13 7.587 -1.948 -2.279
99 HG2 ARG 13 2HG ARG 13 8.375 0.398 -1.877
100 HG3 ARG 13 1HG ARG 13 8.502 -0.015 -0.169
101 HD2 ARG 13 2HD ARG 13 10.654 -0.230 -1.211
102 HD3 ARG 13 1HD ARG 13 10.062 -1.834 -0.774
103 HE ARG 13 HE ARG 13 9.424 -2.114 -3.103
104 HH11 ARG 13 1HH1 ARG 13 11.834 0.390 -2.404
105 HH12 ARG 13 2HH1 ARG 13 12.536 0.350 -3.945
106 HH21 ARG 13 1HH2 ARG 13 10.385 -2.154 -5.221
107 HH22 ARG 13 2HH2 ARG 13 11.701 -1.146 -5.589
108 H LYS 14 H LYS 14 5.298 -1.507 -3.625
109 HA LYS 14 HA LYS 14 6.142 0.594 -5.223
110 HB2 LYS 14 2HB LYS 14 5.342 -1.598 -6.041
111 HB3 LYS 14 1HB LYS 14 3.708 -1.162 -5.580
112 HG2 LYS 14 2HG LYS 14 3.756 0.667 -7.215
113 HG3 LYS 14 1HG LYS 14 5.382 0.169 -7.695
114 HD2 LYS 14 2HD LYS 14 4.481 -2.062 -8.284
115 HD3 LYS 14 1HD LYS 14 2.862 -1.480 -7.896
116 HE2 LYS 14 2HE LYS 14 4.683 -0.362 -10.025
117 HE3 LYS 14 1HE LYS 14 3.292 -1.405 -10.302
118 HZ1 LYS 14 1HZ LYS 14 1.868 0.321 -9.389
119 HZ2 LYS 14 2HZ LYS 14 2.774 0.930 -10.671
120 HZ3 LYS 14 3HZ LYS 14 3.194 1.301 -9.090
121 H TYR 15 H TYR 15 2.900 0.069 -3.840
122 HA TYR 15 HA TYR 15 1.861 2.555 -4.678
123 HB2 TYR 15 2HB TYR 15 0.920 0.633 -2.557
124 HB3 TYR 15 1HB TYR 15 0.055 2.109 -2.953
125 HD1 TYR 15 1HD TYR 15 -0.679 2.386 -5.419
126 HD2 TYR 15 2HD TYR 15 0.457 -1.337 -3.728
127 HE1 TYR 15 1HE TYR 15 -1.906 1.219 -7.183
128 HE2 TYR 15 2HE TYR 15 -0.769 -2.520 -5.502
129 HH TYR 15 HH TYR 15 -1.904 -0.935 -8.276
130 H LYS 16 H LYS 16 3.368 1.524 -1.671
131 HA LYS 16 HA LYS 16 2.879 3.863 -0.193
132 HB2 LYS 16 2HB LYS 16 5.174 1.906 0.025
133 HB3 LYS 16 1HB LYS 16 4.851 3.185 1.186
134 HG2 LYS 16 2HG LYS 16 2.721 2.185 1.756
135 HG3 LYS 16 1HG LYS 16 2.940 0.952 0.515
136 HD2 LYS 16 2HD LYS 16 3.456 0.031 2.697
137 HD3 LYS 16 1HD LYS 16 4.927 0.126 1.733
138 HE2 LYS 16 2HE LYS 16 5.561 2.172 2.895
139 HE3 LYS 16 1HE LYS 16 4.081 2.111 3.847
140 HZ1 LYS 16 1HZ LYS 16 5.945 1.253 5.081
141 HZ2 LYS 16 2HZ LYS 16 6.278 0.118 3.883
142 HZ3 LYS 16 3HZ LYS 16 4.855 -0.006 4.781
143 H GLU 17 H GLU 17 5.628 2.997 -2.231
144 HA GLU 17 HA GLU 17 7.037 5.409 -1.752
145 HB2 GLU 17 2HB GLU 17 8.054 3.239 -2.437
146 HB3 GLU 17 1HB GLU 17 7.322 3.436 -4.016
147 HG2 GLU 17 2HG GLU 17 8.653 5.403 -4.433
148 HG3 GLU 17 1HG GLU 17 9.335 5.315 -2.809
149 H GLU 18 H GLU 18 4.638 4.406 -4.091
150 HA GLU 18 HA GLU 18 5.061 6.633 -5.831
151 HB2 GLU 18 2HB GLU 18 4.169 4.468 -6.602
152 HB3 GLU 18 1HB GLU 18 2.729 4.726 -5.638
153 HG2 GLU 18 2HG GLU 18 2.076 6.573 -7.015
154 HG3 GLU 18 1HG GLU 18 3.593 6.493 -7.913
155 H TYR 19 H TYR 19 2.978 6.030 -3.072
156 HA TYR 19 HA TYR 19 1.660 8.606 -3.545
157 HB2 TYR 19 2HB TYR 19 0.792 6.242 -1.920
158 HB3 TYR 19 1HB TYR 19 0.031 7.818 -1.759
159 HD1 TYR 19 1HD TYR 19 0.679 5.036 -4.108
160 HD2 TYR 19 2HD TYR 19 -1.544 8.575 -3.335
161 HE1 TYR 19 1HE TYR 19 -0.790 4.520 -5.996
162 HE2 TYR 19 2HE TYR 19 -3.018 8.076 -5.207
163 HH TYR 19 HH TYR 19 -2.946 6.805 -7.264
164 H DSG 20 H DAS 20 2.416 6.858 -0.528
165 HA DSG 20 HA DAS 20 2.872 9.463 0.713
166 HB2 DSG 20 1HB DAS 20 4.703 7.064 1.065
167 HB3 DSG 20 2HB DAS 20 4.754 8.504 2.069
168 HD21 DSG 20 1HD2 DAS 20 5.541 7.148 -0.960
169 HD22 DSG 20 2HD2 DAS 20 6.504 8.452 -1.562
170 H CYS 21 H CYS 21 1.101 9.490 1.939
171 HA CYS 21 HA CYS 21 0.915 7.619 4.090
172 HB2 CYS 21 2HB CYS 21 0.300 9.984 4.455
173 HB3 CYS 21 1HB CYS 21 -1.014 9.820 3.295
174 H VAL 22 H VAL 22 0.555 5.672 3.195
175 HA VAL 22 HA VAL 22 -2.210 5.183 2.516
176 HB VAL 22 HB VAL 22 -1.588 3.474 0.809
177 HG11 VAL 22 1HG1 VAL 22 -0.575 6.210 0.103
178 HG12 VAL 22 2HG1 VAL 22 -2.254 5.700 0.070
179 HG13 VAL 22 3HG1 VAL 22 -1.088 4.969 -1.040
180 HG21 VAL 22 1HG2 VAL 22 1.183 4.635 1.026
181 HG22 VAL 22 2HG2 VAL 22 0.637 3.491 -0.204
182 HG23 VAL 22 3HG2 VAL 22 0.687 3.004 1.493
183 H ARG 23 H ARG 23 -2.932 3.260 3.245
184 HA ARG 23 HA ARG 23 -1.222 2.000 5.245
185 HB2 ARG 23 2HB ARG 23 -4.197 1.851 4.762
186 HB3 ARG 23 1HB ARG 23 -3.346 0.986 6.035
187 HG2 ARG 23 2HG ARG 23 -2.710 3.081 7.064
188 HG3 ARG 23 1HG ARG 23 -3.479 3.977 5.750
189 HD2 ARG 23 2HD ARG 23 -4.926 3.883 7.706
190 HD3 ARG 23 1HD ARG 23 -5.632 3.011 6.348
191 HE ARG 23 HE ARG 23 -4.105 1.430 8.231
192 HH11 ARG 23 1HH1 ARG 23 -7.296 2.469 7.114
193 HH12 ARG 23 2HH1 ARG 23 -8.135 1.339 8.080
194 HH21 ARG 23 1HH2 ARG 23 -5.293 -0.142 9.533
195 HH22 ARG 23 2HH2 ARG 23 -6.990 -0.156 9.443
196 H CYS 24 H CYS 24 -0.942 -0.241 5.203
197 HA CYS 24 HA CYS 24 -1.636 -1.481 2.654
198 HB2 CYS 24 2HB CYS 24 0.705 -0.717 2.652
199 HB3 CYS 24 1HB CYS 24 1.000 -1.617 4.130
200 H THR 25 H THR 25 -1.521 -3.862 2.828
201 HA THR 25 HA THR 25 -2.382 -4.704 5.485
202 HB THR 25 HB THR 25 -2.767 -6.151 2.846
203 HG1 THR 25 1HG THR 25 -3.894 -4.085 3.064
204 HG21 THR 25 1HG2 THR 25 -4.067 -6.524 5.550
205 HG22 THR 25 2HG2 THR 25 -2.843 -7.576 4.848
206 HG23 THR 25 3HG2 THR 25 -4.431 -7.442 4.090
207 H GLU 26 H GLU 26 -1.022 -5.829 6.620
208 HA GLU 26 HA GLU 26 0.606 -7.152 7.338
209 HB2 GLU 26 2HB GLU 26 0.539 -8.298 4.540
210 HB3 GLU 26 1HB GLU 26 1.507 -8.965 5.847
211 HG2 GLU 26 2HG GLU 26 -1.499 -8.737 5.824
212 HG3 GLU 26 1HG GLU 26 -0.583 -10.207 5.503
Start of MODEL 14
1 H1 CYS 1 1HT CYS 1 -5.915 9.021 1.099
2 H2 CYS 1 2HT CYS 1 -5.235 9.893 2.363
3 H3 CYS 1 3HT CYS 1 -6.562 8.856 2.653
4 HA CYS 1 HA CYS 1 -3.875 8.085 1.766
5 HB2 CYS 1 2HB CYS 1 -5.242 7.658 4.437
6 HB3 CYS 1 1HB CYS 1 -3.655 7.054 3.985
7 H GLN 2 H GLN 2 -4.197 6.590 0.287
8 HA GLN 2 HA GLN 2 -6.413 4.871 0.046
9 HB2 GLN 2 2HB GLN 2 -3.614 4.682 -1.087
10 HB3 GLN 2 1HB GLN 2 -4.950 3.656 -1.563
11 HG2 GLN 2 2HG GLN 2 -4.972 6.649 -1.842
12 HG3 GLN 2 1HG GLN 2 -4.457 5.541 -3.116
13 HE21 GLN 2 1HE2 GLN 2 -6.680 7.417 -3.058
14 HE22 GLN 2 2HE2 GLN 2 -8.098 6.474 -3.340
15 H THR 3 H THR 3 -6.551 2.614 0.438
16 HA THR 3 HA THR 3 -4.523 1.591 2.250
17 HB THR 3 HB THR 3 -6.640 1.961 3.464
18 HG1 THR 3 1HG THR 3 -5.263 0.038 3.856
19 HG21 THR 3 1HG2 THR 3 -8.245 1.738 1.636
20 HG22 THR 3 2HG2 THR 3 -8.652 0.608 2.929
21 HG23 THR 3 3HG2 THR 3 -7.846 0.028 1.471
22 H TRP 4 H TRP 4 -3.789 -0.451 1.903
23 HA TRP 4 HA TRP 4 -4.726 -1.850 -0.506
24 HB2 TRP 4 2HB TRP 4 -1.828 -1.669 0.371
25 HB3 TRP 4 1HB TRP 4 -2.458 -2.273 -1.155
26 HD1 TRP 4 HD TRP 4 -1.064 0.765 0.417
27 HE1 TRP 4 1HE TRP 4 -1.281 2.781 -1.166
28 HE3 TRP 4 3HE TRP 4 -4.213 -1.251 -3.027
29 HZ2 TRP 4 2HZ TRP 4 -2.596 3.434 -3.530
30 HZ3 TRP 4 3HZ TRP 4 -4.921 0.144 -4.940
31 HH2 TRP 4 HH TRP 4 -4.125 2.443 -5.177
32 H ARG 5 H ARG 5 -5.528 -3.693 0.320
33 HA ARG 5 HA ARG 5 -4.227 -4.754 2.729
34 HB2 ARG 5 2HB ARG 5 -7.160 -4.905 2.059
35 HB3 ARG 5 1HB ARG 5 -6.382 -5.462 3.534
36 HG2 ARG 5 2HG ARG 5 -5.783 -3.184 4.113
37 HG3 ARG 5 1HG ARG 5 -6.494 -2.608 2.610
38 HD2 ARG 5 2HD ARG 5 -8.673 -3.500 3.365
39 HD3 ARG 5 1HD ARG 5 -7.922 -3.919 4.909
40 HE ARG 5 HE ARG 5 -7.416 -1.235 4.266
41 HH11 ARG 5 1HH1 ARG 5 -10.019 -3.320 5.402
42 HH12 ARG 5 2HH1 ARG 5 -10.860 -2.088 6.221
43 HH21 ARG 5 1HH2 ARG 5 -8.594 0.496 5.335
44 HH22 ARG 5 2HH2 ARG 5 -10.031 0.135 6.161
45 H DAR 6 H DAR 6 -3.283 -6.567 2.330
46 HA DAR 6 HA DAR 6 -4.710 -8.573 0.811
47 HB2 DAR 6 1HB DAR 6 -2.314 -8.752 2.628
48 HB3 DAR 6 2HB DAR 6 -2.984 -10.120 1.742
49 HG2 DAR 6 1HG DAR 6 -5.123 -9.796 2.872
50 HG3 DAR 6 2HG DAR 6 -4.482 -8.389 3.706
51 HD2 DAR 6 1HD DAR 6 -2.939 -9.737 4.952
52 HD3 DAR 6 2HD DAR 6 -3.414 -11.175 4.039
53 HE DAR 6 HE DAR 6 -5.734 -10.532 4.978
54 HH11 DAR 6 1HH2 DAR 6 -6.717 -10.966 7.046
55 HH12 DAR 6 2HH2 DAR 6 -5.773 -10.981 8.450
56 HH21 DAR 6 1HH1 DAR 6 -2.700 -10.240 6.827
57 HH22 DAR 6 2HH1 DAR 6 -3.474 -10.581 8.303
58 H VAL 7 H VAL 7 -2.523 -6.294 0.155
59 HA VAL 7 HA VAL 7 -2.007 -7.394 -2.434
60 HB VAL 7 HB VAL 7 -0.773 -5.328 -2.926
61 HG11 VAL 7 1HG1 VAL 7 -3.197 -5.345 -3.146
62 HG12 VAL 7 2HG1 VAL 7 -2.610 -3.755 -2.679
63 HG13 VAL 7 3HG1 VAL 7 -3.361 -4.808 -1.475
64 HG21 VAL 7 1HG2 VAL 7 0.299 -4.988 -0.754
65 HG22 VAL 7 2HG2 VAL 7 -1.264 -4.612 -0.030
66 HG23 VAL 7 3HG2 VAL 7 -0.577 -3.543 -1.252
67 H SER 8 H SER 8 0.170 -7.448 -3.393
68 HA SER 8 HA SER 8 1.826 -9.100 -1.735
69 HB2 SER 8 2HB SER 8 3.213 -9.287 -3.845
70 HB3 SER 8 1HB SER 8 1.529 -9.762 -4.035
71 HG SER 8 HG SER 8 1.109 -7.706 -4.927
72 HA PRO 9 HA PRO 9 4.853 -6.288 -0.117
73 HB2 PRO 9 2HB PRO 9 6.892 -7.922 -1.558
74 HB3 PRO 9 1HB PRO 9 6.876 -7.381 0.124
75 HG2 PRO 9 2HG PRO 9 6.238 -9.886 -0.453
76 HG3 PRO 9 1HG PRO 9 5.322 -8.984 0.767
77 HD2 PRO 9 2HD PRO 9 4.561 -9.691 -2.030
78 HD3 PRO 9 1HD PRO 9 3.551 -9.576 -0.575
79 H GLU 10 H GLU 10 5.345 -7.160 -3.556
80 HA GLU 10 HA GLU 10 6.907 -4.875 -4.117
81 HB2 GLU 10 2HB GLU 10 6.903 -6.824 -5.621
82 HB3 GLU 10 1HB GLU 10 5.227 -6.493 -6.039
83 HG2 GLU 10 2HG GLU 10 5.834 -4.421 -7.086
84 HG3 GLU 10 1HG GLU 10 7.498 -4.589 -6.530
85 H GLU 11 H GLU 11 3.447 -5.531 -4.657
86 HA GLU 11 HA GLU 11 2.688 -3.024 -5.651
87 HB2 GLU 11 2HB GLU 11 1.149 -4.876 -3.841
88 HB3 GLU 11 1HB GLU 11 0.454 -3.526 -4.718
89 HG2 GLU 11 2HG GLU 11 0.922 -4.606 -6.811
90 HG3 GLU 11 1HG GLU 11 1.758 -5.918 -5.972
91 H CYS 12 H CYS 12 2.875 -4.273 -2.402
92 HA CYS 12 HA CYS 12 1.888 -2.131 -0.963
93 HB2 CYS 12 2HB CYS 12 2.372 -4.408 -0.071
94 HB3 CYS 12 1HB CYS 12 4.090 -4.034 -0.140
95 H ARG 13 H ARG 13 5.287 -2.913 -1.679
96 HA ARG 13 HA ARG 13 6.490 -0.679 -0.512
97 HB2 ARG 13 2HB ARG 13 7.447 -2.891 -1.476
98 HB3 ARG 13 1HB ARG 13 7.490 -2.023 -2.998
99 HG2 ARG 13 2HG ARG 13 9.640 -1.890 -2.027
100 HG3 ARG 13 1HG ARG 13 8.894 -0.299 -1.889
101 HD2 ARG 13 2HD ARG 13 10.060 -1.004 0.172
102 HD3 ARG 13 1HD ARG 13 8.344 -0.709 0.433
103 HE ARG 13 HE ARG 13 8.088 -3.193 0.226
104 HH11 ARG 13 1HH1 ARG 13 11.135 -1.816 1.422
105 HH12 ARG 13 2HH1 ARG 13 11.539 -3.222 2.301
106 HH21 ARG 13 1HH2 ARG 13 8.654 -5.043 1.416
107 HH22 ARG 13 2HH2 ARG 13 10.101 -5.101 2.299
108 H LYS 14 H LYS 14 5.561 -1.353 -3.833
109 HA LYS 14 HA LYS 14 6.285 0.876 -5.241
110 HB2 LYS 14 2HB LYS 14 5.416 -1.161 -6.225
111 HB3 LYS 14 1HB LYS 14 3.859 -0.893 -5.481
112 HG2 LYS 14 2HG LYS 14 3.567 1.104 -6.911
113 HG3 LYS 14 1HG LYS 14 5.096 0.714 -7.710
114 HD2 LYS 14 2HD LYS 14 4.189 -1.508 -8.312
115 HD3 LYS 14 1HD LYS 14 2.659 -1.068 -7.561
116 HE2 LYS 14 2HE LYS 14 2.491 -0.809 -9.939
117 HE3 LYS 14 1HE LYS 14 2.435 0.776 -9.180
118 HZ1 LYS 14 1HZ LYS 14 4.733 1.126 -9.810
119 HZ2 LYS 14 2HZ LYS 14 3.882 0.651 -11.196
120 HZ3 LYS 14 3HZ LYS 14 4.850 -0.439 -10.383
121 H TYR 15 H TYR 15 3.095 0.256 -3.775
122 HA TYR 15 HA TYR 15 2.143 2.837 -4.434
123 HB2 TYR 15 2HB TYR 15 0.975 0.798 -2.554
124 HB3 TYR 15 1HB TYR 15 0.160 2.257 -3.088
125 HD1 TYR 15 1HD TYR 15 0.831 2.253 -6.004
126 HD2 TYR 15 2HD TYR 15 -0.294 -0.916 -3.408
127 HE1 TYR 15 1HE TYR 15 -0.104 1.038 -7.910
128 HE2 TYR 15 2HE TYR 15 -1.225 -2.153 -5.309
129 HH TYR 15 HH TYR 15 -2.121 -1.653 -7.557
130 H LYS 16 H LYS 16 3.606 1.496 -1.549
131 HA LYS 16 HA LYS 16 2.887 3.612 0.147
132 HB2 LYS 16 2HB LYS 16 5.218 1.712 0.325
133 HB3 LYS 16 1HB LYS 16 4.851 2.919 1.552
134 HG2 LYS 16 2HG LYS 16 2.650 1.890 1.898
135 HG3 LYS 16 1HG LYS 16 3.037 0.673 0.686
136 HD2 LYS 16 2HD LYS 16 3.382 -0.212 2.928
137 HD3 LYS 16 1HD LYS 16 4.924 -0.082 2.081
138 HE2 LYS 16 2HE LYS 16 5.440 1.960 3.257
139 HE3 LYS 16 1HE LYS 16 3.857 1.961 4.029
140 HZ1 LYS 16 1HZ LYS 16 5.983 -0.066 4.405
141 HZ2 LYS 16 2HZ LYS 16 4.491 -0.070 5.184
142 HZ3 LYS 16 3HZ LYS 16 5.593 1.168 5.469
143 H GLU 17 H GLU 17 5.727 3.198 -1.906
144 HA GLU 17 HA GLU 17 6.553 5.838 -1.113
145 HB2 GLU 17 2HB GLU 17 8.389 5.560 -2.787
146 HB3 GLU 17 1HB GLU 17 8.355 4.345 -1.523
147 HG2 GLU 17 2HG GLU 17 7.390 2.746 -3.031
148 HG3 GLU 17 1HG GLU 17 7.257 3.971 -4.290
149 H GLU 18 H GLU 18 4.565 4.518 -3.500
150 HA GLU 18 HA GLU 18 4.765 6.558 -5.439
151 HB2 GLU 18 2HB GLU 18 3.788 4.240 -5.736
152 HB3 GLU 18 1HB GLU 18 2.363 4.840 -4.903
153 HG2 GLU 18 2HG GLU 18 1.989 4.895 -7.261
154 HG3 GLU 18 1HG GLU 18 2.096 6.547 -6.651
155 H TYR 19 H TYR 19 2.421 6.016 -2.783
156 HA TYR 19 HA TYR 19 1.263 8.625 -3.469
157 HB2 TYR 19 2HB TYR 19 -0.015 6.381 -1.926
158 HB3 TYR 19 1HB TYR 19 -0.783 7.907 -2.348
159 HD1 TYR 19 1HD TYR 19 0.035 4.587 -3.434
160 HD2 TYR 19 2HD TYR 19 -1.156 8.430 -4.798
161 HE1 TYR 19 1HE TYR 19 -0.673 3.603 -5.558
162 HE2 TYR 19 2HE TYR 19 -1.866 7.461 -6.932
163 HH TYR 19 HH TYR 19 -2.128 4.075 -7.424
164 H DSG 20 H DAS 20 3.134 7.207 -0.872
165 HA DSG 20 HA DAS 20 2.682 9.653 0.555
166 HB2 DSG 20 1HB DAS 20 4.967 9.015 0.036
167 HB3 DSG 20 2HB DAS 20 4.737 7.468 0.843
168 HD21 DSG 20 1HD2 DAS 20 6.298 7.759 2.319
169 HD22 DSG 20 2HD2 DAS 20 6.157 8.904 3.591
170 H CYS 21 H CYS 21 0.808 9.396 1.622
171 HA CYS 21 HA CYS 21 0.832 7.703 3.961
172 HB2 CYS 21 2HB CYS 21 0.066 10.040 4.167
173 HB3 CYS 21 1HB CYS 21 -1.202 9.733 2.992
174 H VAL 22 H VAL 22 0.484 5.622 3.318
175 HA VAL 22 HA VAL 22 -2.217 5.054 2.456
176 HB VAL 22 HB VAL 22 -1.496 3.232 0.944
177 HG11 VAL 22 1HG1 VAL 22 -0.757 4.570 -0.957
178 HG12 VAL 22 2HG1 VAL 22 -0.356 5.887 0.145
179 HG13 VAL 22 3HG1 VAL 22 -2.031 5.381 -0.040
180 HG21 VAL 22 1HG2 VAL 22 0.796 3.116 0.134
181 HG22 VAL 22 2HG2 VAL 22 0.678 2.752 1.860
182 HG23 VAL 22 3HG2 VAL 22 1.277 4.330 1.327
183 H ARG 23 H ARG 23 -2.861 2.905 3.010
184 HA ARG 23 HA ARG 23 -1.299 1.896 5.299
185 HB2 ARG 23 2HB ARG 23 -4.299 1.764 4.956
186 HB3 ARG 23 1HB ARG 23 -3.388 1.206 6.351
187 HG2 ARG 23 2HG ARG 23 -3.636 4.050 5.408
188 HG3 ARG 23 1HG ARG 23 -4.434 3.333 6.806
189 HD2 ARG 23 2HD ARG 23 -2.318 3.014 7.918
190 HD3 ARG 23 1HD ARG 23 -1.438 3.514 6.470
191 HE ARG 23 HE ARG 23 -3.295 5.425 7.509
192 HH11 ARG 23 1HH1 ARG 23 0.057 4.325 7.602
193 HH12 ARG 23 2HH1 ARG 23 0.695 5.852 8.041
194 HH21 ARG 23 1HH2 ARG 23 -2.434 7.501 8.089
195 HH22 ARG 23 2HH2 ARG 23 -0.767 7.696 8.328
196 H CYS 24 H CYS 24 -0.212 0.297 4.486
197 HA CYS 24 HA CYS 24 -1.474 -1.628 2.737
198 HB2 CYS 24 2HB CYS 24 0.759 -0.755 2.173
199 HB3 CYS 24 1HB CYS 24 1.375 -1.361 3.706
200 H THR 25 H THR 25 -2.506 -3.201 3.676
201 HA THR 25 HA THR 25 -1.737 -4.062 6.364
202 HB THR 25 HB THR 25 -4.315 -4.604 4.894
203 HG1 THR 25 1HG THR 25 -3.310 -2.333 6.039
204 HG21 THR 25 1HG2 THR 25 -3.589 -4.560 7.830
205 HG22 THR 25 2HG2 THR 25 -3.835 -6.011 6.859
206 HG23 THR 25 3HG2 THR 25 -5.182 -4.912 7.163
207 H GLU 26 H GLU 26 -0.638 -5.944 6.437
208 HA GLU 26 HA GLU 26 -1.505 -8.152 4.850
209 HB2 GLU 26 2HB GLU 26 0.272 -7.245 3.415
210 HB3 GLU 26 1HB GLU 26 1.379 -7.199 4.782
211 HG2 GLU 26 2HG GLU 26 1.380 -9.594 4.934
212 HG3 GLU 26 1HG GLU 26 0.143 -9.714 3.693
Start of MODEL 15
1 H1 CYS 1 1HT CYS 1 -4.446 9.373 3.640
2 H2 CYS 1 2HT CYS 1 -5.711 8.249 3.849
3 H3 CYS 1 3HT CYS 1 -5.305 8.771 2.314
4 HA CYS 1 HA CYS 1 -3.212 7.700 2.416
5 HB2 CYS 1 2HB CYS 1 -4.099 6.825 5.189
6 HB3 CYS 1 1HB CYS 1 -2.664 6.258 4.349
7 H GLN 2 H GLN 2 -3.332 5.937 1.168
8 HA GLN 2 HA GLN 2 -5.891 4.688 0.938
9 HB2 GLN 2 2HB GLN 2 -3.304 4.031 -0.484
10 HB3 GLN 2 1HB GLN 2 -4.862 3.319 -0.845
11 HG2 GLN 2 2HG GLN 2 -4.148 6.228 -1.123
12 HG3 GLN 2 1HG GLN 2 -4.333 5.064 -2.434
13 HE21 GLN 2 1HE2 GLN 2 -5.740 7.550 -1.909
14 HE22 GLN 2 2HE2 GLN 2 -7.418 7.156 -1.817
15 H THR 3 H THR 3 -6.562 2.868 1.788
16 HA THR 3 HA THR 3 -4.686 1.280 3.358
17 HB THR 3 HB THR 3 -7.724 1.205 3.279
18 HG1 THR 3 1HG THR 3 -7.682 2.738 4.706
19 HG21 THR 3 1HG2 THR 3 -7.507 -0.051 5.393
20 HG22 THR 3 2HG2 THR 3 -5.750 -0.006 5.237
21 HG23 THR 3 3HG2 THR 3 -6.716 -0.899 4.064
22 H TRP 4 H TRP 4 -4.016 -0.610 2.546
23 HA TRP 4 HA TRP 4 -5.487 -1.736 0.245
24 HB2 TRP 4 2HB TRP 4 -2.529 -1.977 0.838
25 HB3 TRP 4 1HB TRP 4 -3.367 -2.654 -0.550
26 HD1 TRP 4 HD TRP 4 -1.845 0.529 0.760
27 HE1 TRP 4 1HE TRP 4 -1.857 2.309 -1.097
28 HE3 TRP 4 3HE TRP 4 -4.764 -1.880 -2.664
29 HZ2 TRP 4 2HZ TRP 4 -2.935 2.656 -3.639
30 HZ3 TRP 4 3HZ TRP 4 -5.245 -0.751 -4.803
31 HH2 TRP 4 HH TRP 4 -4.348 1.476 -5.281
32 H ARG 5 H ARG 5 -5.705 -3.984 0.145
33 HA ARG 5 HA ARG 5 -4.955 -5.448 2.562
34 HB2 ARG 5 2HB ARG 5 -7.626 -5.533 1.171
35 HB3 ARG 5 1HB ARG 5 -7.090 -6.707 2.359
36 HG2 ARG 5 2HG ARG 5 -6.997 -4.982 4.053
37 HG3 ARG 5 1HG ARG 5 -7.472 -3.767 2.863
38 HD2 ARG 5 2HD ARG 5 -9.091 -6.181 3.656
39 HD3 ARG 5 1HD ARG 5 -9.391 -4.531 4.207
40 HE ARG 5 HE ARG 5 -9.505 -4.136 1.644
41 HH11 ARG 5 1HH1 ARG 5 -10.873 -6.881 3.417
42 HH12 ARG 5 2HH1 ARG 5 -12.135 -7.153 2.321
43 HH21 ARG 5 1HH2 ARG 5 -11.215 -4.533 0.107
44 HH22 ARG 5 2HH2 ARG 5 -12.346 -5.780 0.388
45 H DAR 6 H DAR 6 -3.938 -7.186 2.159
46 HA DAR 6 HA DAR 6 -4.535 -9.124 0.231
47 HB2 DAR 6 1HB DAR 6 -3.411 -9.752 2.237
48 HB3 DAR 6 2HB DAR 6 -2.095 -8.640 1.933
49 HG2 DAR 6 1HG DAR 6 -1.364 -10.912 1.563
50 HG3 DAR 6 2HG DAR 6 -1.346 -10.012 0.052
51 HD2 DAR 6 1HD DAR 6 -3.442 -11.023 -0.619
52 HD3 DAR 6 2HD DAR 6 -3.518 -11.918 0.901
53 HE DAR 6 HE DAR 6 -1.242 -12.813 0.063
54 HH11 DAR 6 1HH2 DAR 6 -0.663 -14.426 -1.552
55 HH12 DAR 6 2HH2 DAR 6 -1.666 -14.611 -2.906
56 HH21 DAR 6 1HH1 DAR 6 -4.078 -12.199 -1.961
57 HH22 DAR 6 2HH1 DAR 6 -3.633 -13.330 -3.157
58 H VAL 7 H VAL 7 -2.035 -6.626 0.226
59 HA VAL 7 HA VAL 7 -1.571 -7.282 -2.587
60 HB VAL 7 HB VAL 7 -0.606 -5.019 -2.869
61 HG11 VAL 7 1HG1 VAL 7 -2.666 -3.697 -2.673
62 HG12 VAL 7 2HG1 VAL 7 -3.372 -4.974 -1.681
63 HG13 VAL 7 3HG1 VAL 7 -2.951 -5.295 -3.363
64 HG21 VAL 7 1HG2 VAL 7 -1.479 -4.513 -0.024
65 HG22 VAL 7 2HG2 VAL 7 -0.787 -3.319 -1.125
66 HG23 VAL 7 3HG2 VAL 7 0.187 -4.682 -0.570
67 H SER 8 H SER 8 0.608 -7.359 -3.315
68 HA SER 8 HA SER 8 2.311 -8.679 -1.506
69 HB2 SER 8 2HB SER 8 2.938 -7.513 -4.226
70 HB3 SER 8 1HB SER 8 3.853 -8.768 -3.389
71 HG SER 8 HG SER 8 2.595 -9.819 -4.751
72 HA PRO 9 HA PRO 9 4.266 -5.342 0.725
73 HB2 PRO 9 2HB PRO 9 6.649 -7.087 0.254
74 HB3 PRO 9 1HB PRO 9 6.144 -6.260 1.734
75 HG2 PRO 9 2HG PRO 9 5.634 -8.817 1.472
76 HG3 PRO 9 1HG PRO 9 4.378 -7.742 2.112
77 HD2 PRO 9 2HD PRO 9 4.595 -9.002 -0.586
78 HD3 PRO 9 1HD PRO 9 3.157 -8.643 0.393
79 H GLU 10 H GLU 10 6.032 -6.560 -2.160
80 HA GLU 10 HA GLU 10 7.525 -4.146 -2.362
81 HB2 GLU 10 2HB GLU 10 7.169 -6.359 -4.395
82 HB3 GLU 10 1HB GLU 10 8.300 -5.022 -4.568
83 HG2 GLU 10 2HG GLU 10 9.385 -5.743 -2.448
84 HG3 GLU 10 1HG GLU 10 8.346 -7.160 -2.440
85 H GLU 11 H GLU 11 4.552 -5.269 -3.820
86 HA GLU 11 HA GLU 11 4.189 -3.090 -5.618
87 HB2 GLU 11 2HB GLU 11 2.071 -4.722 -4.186
88 HB3 GLU 11 1HB GLU 11 1.805 -3.709 -5.593
89 HG2 GLU 11 2HG GLU 11 3.514 -6.162 -5.491
90 HG3 GLU 11 1HG GLU 11 1.880 -6.086 -6.156
91 H CYS 12 H CYS 12 3.315 -3.760 -2.305
92 HA CYS 12 HA CYS 12 1.948 -1.392 -1.717
93 HB2 CYS 12 2HB CYS 12 1.868 -3.352 -0.244
94 HB3 CYS 12 1HB CYS 12 3.578 -3.171 0.114
95 H ARG 13 H ARG 13 5.380 -2.164 -1.723
96 HA ARG 13 HA ARG 13 6.268 0.255 -0.544
97 HB2 ARG 13 2HB ARG 13 7.651 -1.829 -0.742
98 HB3 ARG 13 1HB ARG 13 7.743 -1.563 -2.471
99 HG2 ARG 13 2HG ARG 13 8.968 0.529 -2.084
100 HG3 ARG 13 1HG ARG 13 8.850 0.261 -0.349
101 HD2 ARG 13 2HD ARG 13 11.039 -0.443 -1.237
102 HD3 ARG 13 1HD ARG 13 10.141 -1.781 -0.521
103 HE ARG 13 HE ARG 13 9.799 -1.449 -3.358
104 HH11 ARG 13 1HH1 ARG 13 11.818 -2.990 -0.879
105 HH12 ARG 13 2HH1 ARG 13 12.272 -4.305 -1.875
106 HH21 ARG 13 1HH2 ARG 13 10.451 -3.266 -4.694
107 HH22 ARG 13 2HH2 ARG 13 11.458 -4.484 -4.075
108 H LYS 14 H LYS 14 5.646 -0.782 -3.860
109 HA LYS 14 HA LYS 14 6.393 1.609 -5.156
110 HB2 LYS 14 2HB LYS 14 4.314 -0.443 -5.923
111 HB3 LYS 14 1HB LYS 14 4.776 0.898 -6.954
112 HG2 LYS 14 2HG LYS 14 6.637 -1.254 -5.975
113 HG3 LYS 14 1HG LYS 14 5.851 -1.243 -7.551
114 HD2 LYS 14 2HD LYS 14 7.742 0.910 -6.561
115 HD3 LYS 14 1HD LYS 14 8.206 -0.429 -7.602
116 HE2 LYS 14 2HE LYS 14 6.591 0.369 -9.300
117 HE3 LYS 14 1HE LYS 14 6.198 1.731 -8.253
118 HZ1 LYS 14 1HZ LYS 14 8.895 1.182 -9.372
119 HZ2 LYS 14 2HZ LYS 14 8.453 2.523 -8.443
120 HZ3 LYS 14 3HZ LYS 14 7.814 2.321 -9.974
121 H TYR 15 H TYR 15 3.363 0.639 -3.632
122 HA TYR 15 HA TYR 15 1.940 2.965 -4.403
123 HB2 TYR 15 2HB TYR 15 1.454 1.175 -2.009
124 HB3 TYR 15 1HB TYR 15 0.305 2.351 -2.637
125 HD1 TYR 15 1HD TYR 15 0.868 1.635 -5.638
126 HD2 TYR 15 2HD TYR 15 0.020 -0.713 -2.186
127 HE1 TYR 15 1HE TYR 15 -0.056 -0.103 -7.059
128 HE2 TYR 15 2HE TYR 15 -0.907 -2.475 -3.613
129 HH TYR 15 HH TYR 15 -0.385 -2.543 -6.917
130 H LYS 16 H LYS 16 3.902 2.186 -1.620
131 HA LYS 16 HA LYS 16 3.508 4.613 -0.191
132 HB2 LYS 16 2HB LYS 16 5.794 2.633 -0.134
133 HB3 LYS 16 1HB LYS 16 5.623 3.970 0.996
134 HG2 LYS 16 2HG LYS 16 3.569 3.060 1.837
135 HG3 LYS 16 1HG LYS 16 3.596 1.785 0.621
136 HD2 LYS 16 2HD LYS 16 5.580 0.843 1.617
137 HD3 LYS 16 1HD LYS 16 5.665 2.163 2.785
138 HE2 LYS 16 2HE LYS 16 3.437 1.497 3.626
139 HE3 LYS 16 1HE LYS 16 3.448 0.141 2.509
140 HZ1 LYS 16 1HZ LYS 16 4.085 -0.480 4.739
141 HZ2 LYS 16 2HZ LYS 16 5.399 0.559 4.709
142 HZ3 LYS 16 3HZ LYS 16 5.351 -0.781 3.670
143 H GLU 17 H GLU 17 5.521 3.684 -2.790
144 HA GLU 17 HA GLU 17 7.249 5.959 -2.758
145 HB2 GLU 17 2HB GLU 17 7.657 3.661 -3.805
146 HB3 GLU 17 1HB GLU 17 6.574 4.168 -5.085
147 HG2 GLU 17 2HG GLU 17 8.856 4.460 -5.759
148 HG3 GLU 17 1HG GLU 17 8.076 6.036 -5.590
149 H GLU 18 H GLU 18 4.592 4.894 -4.834
150 HA GLU 18 HA GLU 18 4.534 7.213 -6.462
151 HB2 GLU 18 2HB GLU 18 3.873 4.853 -7.076
152 HB3 GLU 18 1HB GLU 18 2.382 5.135 -6.193
153 HG2 GLU 18 2HG GLU 18 1.893 5.519 -8.460
154 HG3 GLU 18 1HG GLU 18 2.001 7.110 -7.705
155 H TYR 19 H TYR 19 2.290 5.999 -3.952
156 HA TYR 19 HA TYR 19 0.635 8.347 -4.371
157 HB2 TYR 19 2HB TYR 19 0.164 5.929 -2.632
158 HB3 TYR 19 1HB TYR 19 -0.978 7.248 -2.858
159 HD1 TYR 19 1HD TYR 19 -1.547 7.769 -5.386
160 HD2 TYR 19 2HD TYR 19 -0.064 4.053 -3.957
161 HE1 TYR 19 1HE TYR 19 -2.456 6.661 -7.358
162 HE2 TYR 19 2HE TYR 19 -0.972 2.923 -5.941
163 HH TYR 19 HH TYR 19 -1.974 4.541 -8.673
164 H DSG 20 H DAS 20 2.395 6.818 -1.710
165 HA DSG 20 HA DAS 20 1.964 9.286 -0.254
166 HB2 DSG 20 1HB DAS 20 4.655 8.021 -0.734
167 HB3 DSG 20 2HB DAS 20 4.369 9.128 0.605
168 HD21 DSG 20 1HD2 DAS 20 4.717 8.854 -2.882
169 HD22 DSG 20 2HD2 DAS 20 4.727 10.551 -3.176
170 H CYS 21 H CYS 21 1.101 8.973 1.523
171 HA CYS 21 HA CYS 21 1.844 6.941 3.383
172 HB2 CYS 21 2HB CYS 21 1.183 9.080 4.254
173 HB3 CYS 21 1HB CYS 21 -0.322 9.051 3.351
174 H VAL 22 H VAL 22 1.334 4.927 2.634
175 HA VAL 22 HA VAL 22 -1.524 4.434 2.465
176 HB VAL 22 HB VAL 22 -1.288 2.744 0.752
177 HG11 VAL 22 1HG1 VAL 22 -1.577 4.997 -0.076
178 HG12 VAL 22 2HG1 VAL 22 -0.633 4.018 -1.199
179 HG13 VAL 22 3HG1 VAL 22 0.172 5.197 -0.165
180 HG21 VAL 22 1HG2 VAL 22 0.801 2.252 -0.384
181 HG22 VAL 22 2HG2 VAL 22 0.901 1.849 1.334
182 HG23 VAL 22 3HG2 VAL 22 1.668 3.318 0.718
183 H ARG 23 H ARG 23 -2.189 2.485 3.351
184 HA ARG 23 HA ARG 23 -0.169 1.171 5.018
185 HB2 ARG 23 2HB ARG 23 -2.970 1.965 5.859
186 HB3 ARG 23 1HB ARG 23 -1.863 1.003 6.830
187 HG2 ARG 23 2HG ARG 23 -0.299 2.842 6.944
188 HG3 ARG 23 1HG ARG 23 -1.322 3.810 5.891
189 HD2 ARG 23 2HD ARG 23 -3.081 3.788 7.617
190 HD3 ARG 23 1HD ARG 23 -2.020 2.839 8.667
191 HE ARG 23 HE ARG 23 -0.577 5.020 7.886
192 HH11 ARG 23 1HH1 ARG 23 -3.564 4.572 9.717
193 HH12 ARG 23 2HH1 ARG 23 -3.324 5.923 10.726
194 HH21 ARG 23 1HH2 ARG 23 -0.269 6.916 9.233
195 HH22 ARG 23 2HH2 ARG 23 -1.406 7.309 10.419
196 H CYS 24 H CYS 24 0.039 -0.759 4.260
197 HA CYS 24 HA CYS 24 -2.220 -2.137 3.070
198 HB2 CYS 24 2HB CYS 24 0.691 -2.947 3.240
199 HB3 CYS 24 1HB CYS 24 -0.543 -3.670 2.215
200 H THR 25 H THR 25 -3.232 -3.770 4.074
201 HA THR 25 HA THR 25 -1.958 -4.985 6.387
202 HB THR 25 HB THR 25 -3.590 -3.272 7.176
203 HG1 THR 25 1HG THR 25 -5.058 -5.014 8.239
204 HG21 THR 25 1HG2 THR 25 -5.656 -4.957 5.753
205 HG22 THR 25 2HG2 THR 25 -5.151 -3.336 5.280
206 HG23 THR 25 3HG2 THR 25 -5.999 -3.582 6.807
207 H GLU 26 H GLU 26 -2.985 -7.145 6.863
208 HA GLU 26 HA GLU 26 -3.713 -8.394 4.321
209 HB2 GLU 26 2HB GLU 26 -2.518 -9.599 6.823
210 HB3 GLU 26 1HB GLU 26 -3.009 -10.531 5.419
211 HG2 GLU 26 2HG GLU 26 -1.341 -9.305 4.075
212 HG3 GLU 26 1HG GLU 26 -0.828 -8.458 5.534
Start of MODEL 16
1 H1 CYS 1 1HT CYS 1 -6.786 8.258 3.464
2 H2 CYS 1 2HT CYS 1 -6.946 8.764 1.866
3 H3 CYS 1 3HT CYS 1 -5.939 9.625 2.938
4 HA CYS 1 HA CYS 1 -4.643 8.233 1.472
5 HB2 CYS 1 2HB CYS 1 -4.734 7.197 4.334
6 HB3 CYS 1 1HB CYS 1 -3.368 7.119 3.235
7 H GLN 2 H GLN 2 -4.499 6.282 0.357
8 HA GLN 2 HA GLN 2 -6.787 4.602 0.374
9 HB2 GLN 2 2HB GLN 2 -4.099 4.265 -0.987
10 HB3 GLN 2 1HB GLN 2 -5.436 3.157 -1.195
11 HG2 GLN 2 2HG GLN 2 -5.326 4.630 -3.076
12 HG3 GLN 2 1HG GLN 2 -6.773 4.994 -2.151
13 HE21 GLN 2 1HE2 GLN 2 -6.948 7.008 -2.942
14 HE22 GLN 2 2HE2 GLN 2 -5.914 8.320 -2.548
15 H THR 3 H THR 3 -6.925 2.413 0.929
16 HA THR 3 HA THR 3 -4.885 1.518 2.818
17 HB THR 3 HB THR 3 -7.870 0.941 2.876
18 HG1 THR 3 1HG THR 3 -7.281 3.057 3.517
19 HG21 THR 3 1HG2 THR 3 -5.685 0.194 4.844
20 HG22 THR 3 2HG2 THR 3 -6.518 -0.925 3.766
21 HG23 THR 3 3HG2 THR 3 -7.409 -0.113 5.053
22 H TRP 4 H TRP 4 -3.852 -0.203 2.171
23 HA TRP 4 HA TRP 4 -4.922 -1.716 -0.092
24 HB2 TRP 4 2HB TRP 4 -2.050 -1.494 0.815
25 HB3 TRP 4 1HB TRP 4 -2.633 -2.288 -0.636
26 HD1 TRP 4 HD TRP 4 -1.223 0.890 0.504
27 HE1 TRP 4 1HE TRP 4 -1.486 2.706 -1.294
28 HE3 TRP 4 3HE TRP 4 -4.593 -1.433 -2.509
29 HZ2 TRP 4 2HZ TRP 4 -2.929 3.124 -3.649
30 HZ3 TRP 4 3HZ TRP 4 -5.386 -0.243 -4.537
31 HH2 TRP 4 HH TRP 4 -4.566 1.984 -5.085
32 H ARG 5 H ARG 5 -5.813 -3.489 0.520
33 HA ARG 5 HA ARG 5 -4.502 -5.195 2.515
34 HB2 ARG 5 2HB ARG 5 -7.459 -4.760 2.025
35 HB3 ARG 5 1HB ARG 5 -6.789 -5.981 3.084
36 HG2 ARG 5 2HG ARG 5 -6.019 -4.407 4.621
37 HG3 ARG 5 1HG ARG 5 -6.207 -3.078 3.473
38 HD2 ARG 5 2HD ARG 5 -8.475 -4.721 4.569
39 HD3 ARG 5 1HD ARG 5 -7.969 -3.158 5.215
40 HE ARG 5 HE ARG 5 -8.524 -3.150 2.398
41 HH11 ARG 5 1HH1 ARG 5 -9.989 -2.842 5.598
42 HH12 ARG 5 2HH1 ARG 5 -11.247 -1.812 5.096
43 HH21 ARG 5 1HH2 ARG 5 -10.245 -1.708 1.681
44 HH22 ARG 5 2HH2 ARG 5 -11.400 -1.159 2.796
45 H DAR 6 H DAR 6 -3.944 -7.083 1.625
46 HA DAR 6 HA DAR 6 -5.586 -8.374 -0.342
47 HB2 DAR 6 1HB DAR 6 -4.362 -9.754 1.275
48 HB3 DAR 6 2HB DAR 6 -2.833 -9.080 0.717
49 HG2 DAR 6 1HG DAR 6 -3.378 -10.014 -1.553
50 HG3 DAR 6 2HG DAR 6 -4.731 -10.852 -0.803
51 HD2 DAR 6 1HD DAR 6 -3.221 -12.065 0.652
52 HD3 DAR 6 2HD DAR 6 -1.845 -11.193 -0.031
53 HE DAR 6 HE DAR 6 -3.560 -12.684 -1.839
54 HH11 DAR 6 1HH2 DAR 6 -2.534 -14.281 -3.169
55 HH12 DAR 6 2HH2 DAR 6 -0.926 -14.747 -2.881
56 HH21 DAR 6 1HH1 DAR 6 -0.460 -12.601 -0.118
57 HH22 DAR 6 2HH1 DAR 6 0.272 -13.783 -1.103
58 H VAL 7 H VAL 7 -2.377 -6.939 -0.217
59 HA VAL 7 HA VAL 7 -2.349 -6.965 -3.130
60 HB VAL 7 HB VAL 7 -0.987 -4.903 -3.101
61 HG11 VAL 7 1HG1 VAL 7 -2.732 -3.300 -2.493
62 HG12 VAL 7 2HG1 VAL 7 -3.580 -4.564 -1.603
63 HG13 VAL 7 3HG1 VAL 7 -3.406 -4.686 -3.351
64 HG21 VAL 7 1HG2 VAL 7 -0.725 -3.577 -1.061
65 HG22 VAL 7 2HG2 VAL 7 0.026 -5.164 -0.882
66 HG23 VAL 7 3HG2 VAL 7 -1.537 -4.836 -0.134
67 H SER 8 H SER 8 -0.156 -7.088 -4.006
68 HA SER 8 HA SER 8 1.324 -9.139 -2.780
69 HB2 SER 8 2HB SER 8 2.170 -7.270 -4.979
70 HB3 SER 8 1HB SER 8 2.699 -8.932 -4.706
71 HG SER 8 HG SER 8 0.590 -9.625 -5.158
72 HA PRO 9 HA PRO 9 4.024 -6.852 0.003
73 HB2 PRO 9 2HB PRO 9 6.216 -8.460 -1.233
74 HB3 PRO 9 1HB PRO 9 5.828 -8.219 0.475
75 HG2 PRO 9 2HG PRO 9 5.204 -10.506 -0.684
76 HG3 PRO 9 1HG PRO 9 4.055 -9.731 0.421
77 HD2 PRO 9 2HD PRO 9 4.023 -9.835 -2.570
78 HD3 PRO 9 1HD PRO 9 2.675 -9.948 -1.417
79 H GLU 10 H GLU 10 5.456 -7.478 -3.186
80 HA GLU 10 HA GLU 10 7.173 -5.266 -3.293
81 HB2 GLU 10 2HB GLU 10 5.816 -6.723 -5.569
82 HB3 GLU 10 1HB GLU 10 7.170 -5.619 -5.747
83 HG2 GLU 10 2HG GLU 10 8.587 -7.103 -4.454
84 HG3 GLU 10 1HG GLU 10 7.225 -8.189 -4.185
85 H GLU 11 H GLU 11 3.857 -5.686 -4.454
86 HA GLU 11 HA GLU 11 3.467 -3.126 -5.513
87 HB2 GLU 11 2HB GLU 11 1.491 -5.058 -4.301
88 HB3 GLU 11 1HB GLU 11 1.037 -3.592 -5.149
89 HG2 GLU 11 2HG GLU 11 2.573 -5.878 -6.346
90 HG3 GLU 11 1HG GLU 11 0.842 -5.606 -6.539
91 H CYS 12 H CYS 12 2.957 -4.440 -2.285
92 HA CYS 12 HA CYS 12 1.690 -2.305 -1.065
93 HB2 CYS 12 2HB CYS 12 2.006 -4.542 -0.029
94 HB3 CYS 12 1HB CYS 12 3.711 -4.175 0.196
95 H ARG 13 H ARG 13 5.206 -2.989 -1.093
96 HA ARG 13 HA ARG 13 5.807 -0.506 0.138
97 HB2 ARG 13 2HB ARG 13 8.167 -0.983 -0.369
98 HB3 ARG 13 1HB ARG 13 7.359 -2.368 0.332
99 HG2 ARG 13 2HG ARG 13 7.129 -3.336 -1.922
100 HG3 ARG 13 1HG ARG 13 8.043 -1.971 -2.565
101 HD2 ARG 13 2HD ARG 13 9.938 -2.576 -1.144
102 HD3 ARG 13 1HD ARG 13 9.018 -3.938 -0.504
103 HE ARG 13 HE ARG 13 9.395 -3.809 -3.376
104 HH11 ARG 13 1HH1 ARG 13 10.354 -5.299 -0.319
105 HH12 ARG 13 2HH1 ARG 13 11.201 -6.590 -1.043
106 HH21 ARG 13 1HH2 ARG 13 10.538 -5.577 -4.370
107 HH22 ARG 13 2HH2 ARG 13 11.305 -6.749 -3.412
108 H LYS 14 H LYS 14 5.516 -1.487 -3.175
109 HA LYS 14 HA LYS 14 6.518 0.745 -4.505
110 HB2 LYS 14 2HB LYS 14 6.030 -1.258 -5.699
111 HB3 LYS 14 1HB LYS 14 4.390 -1.280 -5.111
112 HG2 LYS 14 2HG LYS 14 4.614 -0.769 -7.508
113 HG3 LYS 14 1HG LYS 14 3.754 0.469 -6.599
114 HD2 LYS 14 2HD LYS 14 5.626 1.924 -6.694
115 HD3 LYS 14 1HD LYS 14 6.675 0.637 -7.296
116 HE2 LYS 14 2HE LYS 14 5.879 2.279 -9.035
117 HE3 LYS 14 1HE LYS 14 5.568 0.584 -9.388
118 HZ1 LYS 14 1HZ LYS 14 3.278 0.877 -8.734
119 HZ2 LYS 14 2HZ LYS 14 3.684 2.021 -9.892
120 HZ3 LYS 14 3HZ LYS 14 3.526 2.483 -8.284
121 H TYR 15 H TYR 15 3.184 0.067 -3.436
122 HA TYR 15 HA TYR 15 2.137 2.554 -4.256
123 HB2 TYR 15 2HB TYR 15 1.117 0.793 -2.014
124 HB3 TYR 15 1HB TYR 15 0.211 2.058 -2.823
125 HD1 TYR 15 1HD TYR 15 -0.397 -0.964 -2.436
126 HD2 TYR 15 2HD TYR 15 1.179 1.280 -5.689
127 HE1 TYR 15 1HE TYR 15 -1.215 -2.661 -3.996
128 HE2 TYR 15 2HE TYR 15 0.361 -0.402 -7.250
129 HH TYR 15 HH TYR 15 -0.159 -2.863 -7.131
130 H LYS 16 H LYS 16 3.592 1.446 -1.284
131 HA LYS 16 HA LYS 16 3.039 3.737 0.214
132 HB2 LYS 16 2HB LYS 16 5.164 1.646 0.522
133 HB3 LYS 16 1HB LYS 16 5.000 2.986 1.646
134 HG2 LYS 16 2HG LYS 16 2.699 2.276 2.141
135 HG3 LYS 16 1HG LYS 16 2.877 0.936 1.017
136 HD2 LYS 16 2HD LYS 16 3.183 0.036 3.183
137 HD3 LYS 16 1HD LYS 16 4.776 0.130 2.457
138 HE2 LYS 16 2HE LYS 16 3.645 2.136 4.427
139 HE3 LYS 16 1HE LYS 16 4.704 0.807 4.870
140 HZ1 LYS 16 1HZ LYS 16 5.980 2.762 4.730
141 HZ2 LYS 16 2HZ LYS 16 5.322 3.224 3.284
142 HZ3 LYS 16 3HZ LYS 16 6.385 1.898 3.334
143 H GLU 17 H GLU 17 5.804 3.045 -1.898
144 HA GLU 17 HA GLU 17 7.058 5.533 -1.208
145 HB2 GLU 17 2HB GLU 17 7.553 3.723 -3.569
146 HB3 GLU 17 1HB GLU 17 8.536 5.109 -3.140
147 HG2 GLU 17 2HG GLU 17 9.051 3.984 -0.983
148 HG3 GLU 17 1HG GLU 17 8.182 2.569 -1.584
149 H GLU 18 H GLU 18 4.846 4.459 -3.614
150 HA GLU 18 HA GLU 18 5.166 6.710 -5.339
151 HB2 GLU 18 2HB GLU 18 4.645 4.591 -6.261
152 HB3 GLU 18 1HB GLU 18 3.232 4.428 -5.243
153 HG2 GLU 18 2HG GLU 18 2.067 6.088 -6.493
154 HG3 GLU 18 1HG GLU 18 3.526 6.488 -7.407
155 H TYR 19 H TYR 19 2.548 5.724 -3.120
156 HA TYR 19 HA TYR 19 1.174 8.177 -3.789
157 HB2 TYR 19 2HB TYR 19 0.309 5.866 -2.069
158 HB3 TYR 19 1HB TYR 19 -0.681 7.284 -2.398
159 HD1 TYR 19 1HD TYR 19 0.495 4.100 -3.643
160 HD2 TYR 19 2HD TYR 19 -1.468 7.703 -4.741
161 HE1 TYR 19 1HE TYR 19 -0.339 3.011 -5.682
162 HE2 TYR 19 2HE TYR 19 -2.309 6.636 -6.777
163 HH TYR 19 HH TYR 19 -1.610 4.726 -8.251
164 H DSG 20 H DAS 20 2.947 6.860 -1.089
165 HA DSG 20 HA DAS 20 2.674 9.477 0.193
166 HB2 DSG 20 1HB DAS 20 4.663 7.256 0.703
167 HB3 DSG 20 2HB DAS 20 4.572 8.724 1.659
168 HD21 DSG 20 1HD2 DAS 20 6.649 9.274 1.152
169 HD22 DSG 20 2HD2 DAS 20 7.112 9.869 -0.400
170 H CYS 21 H CYS 21 0.770 9.377 1.243
171 HA CYS 21 HA CYS 21 0.768 7.769 3.633
172 HB2 CYS 21 2HB CYS 21 0.067 10.127 3.779
173 HB3 CYS 21 1HB CYS 21 -1.242 9.798 2.647
174 H VAL 22 H VAL 22 0.387 5.723 3.053
175 HA VAL 22 HA VAL 22 -2.346 5.147 2.322
176 HB VAL 22 HB VAL 22 -1.612 3.216 0.852
177 HG11 VAL 22 1HG1 VAL 22 -0.888 5.953 -0.143
178 HG12 VAL 22 2HG1 VAL 22 -2.499 5.251 -0.125
179 HG13 VAL 22 3HG1 VAL 22 -1.244 4.555 -1.156
180 HG21 VAL 22 1HG2 VAL 22 1.040 4.654 0.890
181 HG22 VAL 22 2HG2 VAL 22 0.613 3.314 -0.176
182 HG23 VAL 22 3HG2 VAL 22 0.710 3.058 1.567
183 H ARG 23 H ARG 23 -3.110 3.324 3.257
184 HA ARG 23 HA ARG 23 -1.422 2.318 5.422
185 HB2 ARG 23 2HB ARG 23 -4.402 2.094 5.009
186 HB3 ARG 23 1HB ARG 23 -3.519 1.524 6.415
187 HG2 ARG 23 2HG ARG 23 -2.862 3.857 6.895
188 HG3 ARG 23 1HG ARG 23 -3.852 4.378 5.530
189 HD2 ARG 23 2HD ARG 23 -5.052 4.615 7.619
190 HD3 ARG 23 1HD ARG 23 -5.813 3.400 6.588
191 HE ARG 23 HE ARG 23 -3.968 2.168 8.307
192 HH11 ARG 23 1HH1 ARG 23 -7.169 3.636 8.341
193 HH12 ARG 23 2HH1 ARG 23 -7.694 2.830 9.745
194 HH21 ARG 23 1HH2 ARG 23 -4.664 1.058 10.244
195 HH22 ARG 23 2HH2 ARG 23 -6.222 1.347 10.861
196 H CYS 24 H CYS 24 -0.284 0.681 4.560
197 HA CYS 24 HA CYS 24 -1.808 -1.332 3.096
198 HB2 CYS 24 2HB CYS 24 -0.025 -0.197 1.777
199 HB3 CYS 24 1HB CYS 24 1.150 -0.763 2.957
200 H THR 25 H THR 25 -2.134 -3.071 4.249
201 HA THR 25 HA THR 25 -0.270 -3.564 6.399
202 HB THR 25 HB THR 25 -2.485 -3.326 7.275
203 HG1 THR 25 1HG THR 25 -1.272 -4.929 8.214
204 HG21 THR 25 1HG2 THR 25 -3.818 -3.791 5.272
205 HG22 THR 25 2HG2 THR 25 -4.380 -4.778 6.622
206 HG23 THR 25 3HG2 THR 25 -3.375 -5.496 5.362
207 H GLU 26 H GLU 26 1.292 -4.788 5.818
208 HA GLU 26 HA GLU 26 0.991 -6.881 3.872
209 HB2 GLU 26 2HB GLU 26 3.061 -5.528 3.969
210 HB3 GLU 26 1HB GLU 26 3.326 -6.073 5.617
211 HG2 GLU 26 2HG GLU 26 3.480 -8.405 4.745
212 HG3 GLU 26 1HG GLU 26 3.425 -7.731 3.116
Start of MODEL 17
1 H1 CYS 1 1HT CYS 1 -6.498 8.092 3.866
2 H2 CYS 1 2HT CYS 1 -6.304 8.759 2.325
3 H3 CYS 1 3HT CYS 1 -5.296 9.255 3.600
4 HA CYS 1 HA CYS 1 -4.213 7.743 2.070
5 HB2 CYS 1 2HB CYS 1 -4.684 6.743 4.889
6 HB3 CYS 1 1HB CYS 1 -3.439 6.121 3.825
7 H GLN 2 H GLN 2 -4.787 6.360 0.485
8 HA GLN 2 HA GLN 2 -7.081 4.717 0.655
9 HB2 GLN 2 2HB GLN 2 -4.737 4.587 -1.263
10 HB3 GLN 2 1HB GLN 2 -6.170 3.589 -1.407
11 HG2 GLN 2 2HG GLN 2 -6.370 5.387 -2.951
12 HG3 GLN 2 1HG GLN 2 -7.513 5.672 -1.645
13 HE21 GLN 2 1HE2 GLN 2 -7.630 7.842 -2.011
14 HE22 GLN 2 2HE2 GLN 2 -6.336 8.934 -1.685
15 H THR 3 H THR 3 -7.358 2.799 1.533
16 HA THR 3 HA THR 3 -5.051 1.497 2.684
17 HB THR 3 HB THR 3 -7.998 0.877 2.936
18 HG1 THR 3 1HG THR 3 -6.959 2.960 3.767
19 HG21 THR 3 1HG2 THR 3 -6.523 -1.040 3.458
20 HG22 THR 3 2HG2 THR 3 -7.334 -0.436 4.898
21 HG23 THR 3 3HG2 THR 3 -5.640 -0.036 4.611
22 H TRP 4 H TRP 4 -4.144 -0.202 1.782
23 HA TRP 4 HA TRP 4 -5.440 -1.454 -0.533
24 HB2 TRP 4 2HB TRP 4 -2.548 -1.584 0.359
25 HB3 TRP 4 1HB TRP 4 -3.207 -2.244 -1.128
26 HD1 TRP 4 HD TRP 4 -1.941 0.964 0.412
27 HE1 TRP 4 1HE TRP 4 -1.836 2.785 -1.392
28 HE3 TRP 4 3HE TRP 4 -4.446 -1.441 -3.333
29 HZ2 TRP 4 2HZ TRP 4 -2.682 3.172 -4.016
30 HZ3 TRP 4 3HZ TRP 4 -4.757 -0.265 -5.475
31 HH2 TRP 4 HH TRP 4 -3.894 1.993 -5.807
32 H ARG 5 H ARG 5 -6.529 -3.228 0.049
33 HA ARG 5 HA ARG 5 -5.418 -4.815 2.231
34 HB2 ARG 5 2HB ARG 5 -8.247 -4.742 1.176
35 HB3 ARG 5 1HB ARG 5 -7.678 -5.857 2.406
36 HG2 ARG 5 2HG ARG 5 -7.103 -3.902 3.833
37 HG3 ARG 5 1HG ARG 5 -7.835 -2.856 2.615
38 HD2 ARG 5 2HD ARG 5 -9.423 -3.303 4.405
39 HD3 ARG 5 1HD ARG 5 -9.967 -4.042 2.899
40 HE ARG 5 HE ARG 5 -8.444 -5.865 4.461
41 HH11 ARG 5 1HH1 ARG 5 -11.718 -4.491 4.224
42 HH12 ARG 5 2HH1 ARG 5 -12.444 -5.831 4.988
43 HH21 ARG 5 1HH2 ARG 5 -9.463 -7.626 5.522
44 HH22 ARG 5 2HH2 ARG 5 -11.162 -7.644 5.733
45 H DAR 6 H DAR 6 -4.474 -6.547 1.772
46 HA DAR 6 HA DAR 6 -5.376 -8.596 0.100
47 HB2 DAR 6 1HB DAR 6 -3.936 -8.986 1.991
48 HB3 DAR 6 2HB DAR 6 -2.657 -8.032 1.265
49 HG2 DAR 6 1HG DAR 6 -2.568 -9.719 -0.585
50 HG3 DAR 6 2HG DAR 6 -3.654 -10.725 0.381
51 HD2 DAR 6 1HD DAR 6 -1.309 -11.335 0.742
52 HD3 DAR 6 2HD DAR 6 -2.045 -10.701 2.217
53 HE DAR 6 HE DAR 6 -0.648 -8.795 0.542
54 HH11 DAR 6 1HH2 DAR 6 1.086 -7.557 1.634
55 HH12 DAR 6 2HH2 DAR 6 1.723 -8.164 3.090
56 HH21 DAR 6 1HH1 DAR 6 -0.378 -10.980 3.319
57 HH22 DAR 6 2HH1 DAR 6 0.871 -10.119 4.066
58 H VAL 7 H VAL 7 -2.643 -6.396 -0.340
59 HA VAL 7 HA VAL 7 -2.635 -7.109 -3.178
60 HB VAL 7 HB VAL 7 -1.243 -5.080 -3.544
61 HG11 VAL 7 1HG1 VAL 7 -3.760 -4.476 -1.997
62 HG12 VAL 7 2HG1 VAL 7 -3.665 -4.876 -3.707
63 HG13 VAL 7 3HG1 VAL 7 -2.946 -3.379 -3.114
64 HG21 VAL 7 1HG2 VAL 7 -0.895 -3.459 -1.739
65 HG22 VAL 7 2HG2 VAL 7 -0.133 -5.012 -1.385
66 HG23 VAL 7 3HG2 VAL 7 -1.648 -4.576 -0.596
67 H SER 8 H SER 8 -0.275 -7.263 -4.085
68 HA SER 8 HA SER 8 0.993 -9.277 -2.529
69 HB2 SER 8 2HB SER 8 2.092 -7.850 -4.953
70 HB3 SER 8 1HB SER 8 2.481 -9.476 -4.389
71 HG SER 8 HG SER 8 0.196 -8.481 -5.629
72 HA PRO 9 HA PRO 9 3.891 -7.085 0.045
73 HB2 PRO 9 2HB PRO 9 5.987 -8.708 -1.347
74 HB3 PRO 9 1HB PRO 9 5.760 -8.431 0.385
75 HG2 PRO 9 2HG PRO 9 4.998 -10.719 -0.671
76 HG3 PRO 9 1HG PRO 9 3.963 -9.902 0.516
77 HD2 PRO 9 2HD PRO 9 3.657 -10.104 -2.445
78 HD3 PRO 9 1HD PRO 9 2.416 -10.103 -1.172
79 H GLU 10 H GLU 10 5.283 -7.736 -3.154
80 HA GLU 10 HA GLU 10 6.955 -5.540 -3.285
81 HB2 GLU 10 2HB GLU 10 5.644 -7.124 -5.494
82 HB3 GLU 10 1HB GLU 10 6.846 -5.883 -5.790
83 HG2 GLU 10 2HG GLU 10 7.824 -8.124 -5.860
84 HG3 GLU 10 1HG GLU 10 8.507 -7.155 -4.561
85 H GLU 11 H GLU 11 3.674 -5.912 -4.588
86 HA GLU 11 HA GLU 11 3.346 -3.369 -5.689
87 HB2 GLU 11 2HB GLU 11 1.258 -5.092 -4.351
88 HB3 GLU 11 1HB GLU 11 0.921 -3.707 -5.368
89 HG2 GLU 11 2HG GLU 11 1.887 -4.861 -7.272
90 HG3 GLU 11 1HG GLU 11 2.264 -6.253 -6.256
91 H CYS 12 H CYS 12 2.593 -4.554 -2.445
92 HA CYS 12 HA CYS 12 1.414 -2.293 -1.352
93 HB2 CYS 12 2HB CYS 12 1.445 -4.511 -0.258
94 HB3 CYS 12 1HB CYS 12 3.163 -4.319 0.046
95 H ARG 13 H ARG 13 4.813 -3.278 -1.263
96 HA ARG 13 HA ARG 13 5.712 -1.040 0.179
97 HB2 ARG 13 2HB ARG 13 7.211 -2.894 -1.670
98 HB3 ARG 13 1HB ARG 13 7.976 -1.731 -0.592
99 HG2 ARG 13 2HG ARG 13 7.069 -2.902 1.338
100 HG3 ARG 13 1HG ARG 13 6.227 -4.026 0.275
101 HD2 ARG 13 2HD ARG 13 8.250 -5.050 1.111
102 HD3 ARG 13 1HD ARG 13 8.388 -4.762 -0.622
103 HE ARG 13 HE ARG 13 9.473 -2.601 0.839
104 HH11 ARG 13 1HH1 ARG 13 10.224 -5.905 -0.189
105 HH12 ARG 13 2HH1 ARG 13 11.908 -5.729 -0.037
106 HH21 ARG 13 1HH2 ARG 13 11.814 -2.350 1.041
107 HH22 ARG 13 2HH2 ARG 13 12.820 -3.674 0.686
108 H LYS 14 H LYS 14 5.384 -1.684 -3.265
109 HA LYS 14 HA LYS 14 6.659 0.679 -4.131
110 HB2 LYS 14 2HB LYS 14 4.591 -1.036 -5.520
111 HB3 LYS 14 1HB LYS 14 5.457 0.287 -6.290
112 HG2 LYS 14 2HG LYS 14 7.568 -0.864 -5.975
113 HG3 LYS 14 1HG LYS 14 6.754 -2.142 -5.078
114 HD2 LYS 14 2HD LYS 14 7.205 -2.892 -7.333
115 HD3 LYS 14 1HD LYS 14 5.469 -2.712 -7.107
116 HE2 LYS 14 2HE LYS 14 5.546 -0.548 -8.260
117 HE3 LYS 14 1HE LYS 14 7.290 -0.722 -8.440
118 HZ1 LYS 14 1HZ LYS 14 6.935 -2.652 -9.823
119 HZ2 LYS 14 2HZ LYS 14 6.059 -1.348 -10.453
120 HZ3 LYS 14 3HZ LYS 14 5.277 -2.551 -9.598
121 H TYR 15 H TYR 15 3.238 -0.084 -3.520
122 HA TYR 15 HA TYR 15 2.202 2.428 -4.225
123 HB2 TYR 15 2HB TYR 15 1.159 0.450 -2.194
124 HB3 TYR 15 1HB TYR 15 0.279 1.874 -2.716
125 HD1 TYR 15 1HD TYR 15 0.860 1.740 -5.682
126 HD2 TYR 15 2HD TYR 15 -0.226 -1.279 -2.885
127 HE1 TYR 15 1HE TYR 15 -0.195 0.473 -7.472
128 HE2 TYR 15 2HE TYR 15 -1.270 -2.570 -4.679
129 HH TYR 15 HH TYR 15 -0.761 -1.920 -7.916
130 H LYS 16 H LYS 16 3.339 1.220 -1.120
131 HA LYS 16 HA LYS 16 2.707 3.517 0.362
132 HB2 LYS 16 2HB LYS 16 4.813 1.404 0.857
133 HB3 LYS 16 1HB LYS 16 4.402 2.665 2.011
134 HG2 LYS 16 2HG LYS 16 2.135 1.820 2.179
135 HG3 LYS 16 1HG LYS 16 2.472 0.613 0.943
136 HD2 LYS 16 2HD LYS 16 2.536 -0.386 3.181
137 HD3 LYS 16 1HD LYS 16 4.124 -0.442 2.422
138 HE2 LYS 16 2HE LYS 16 4.870 1.425 3.742
139 HE3 LYS 16 1HE LYS 16 3.258 1.662 4.406
140 HZ1 LYS 16 1HZ LYS 16 4.965 -0.734 4.825
141 HZ2 LYS 16 2HZ LYS 16 3.445 -0.477 5.523
142 HZ3 LYS 16 3HZ LYS 16 4.736 0.516 5.921
143 H GLU 17 H GLU 17 5.672 2.603 -1.347
144 HA GLU 17 HA GLU 17 7.055 4.953 -0.502
145 HB2 GLU 17 2HB GLU 17 8.006 2.651 -1.242
146 HB3 GLU 17 1HB GLU 17 7.831 3.284 -2.873
147 HG2 GLU 17 2HG GLU 17 10.082 3.643 -2.116
148 HG3 GLU 17 1HG GLU 17 9.254 5.196 -2.246
149 H GLU 18 H GLU 18 4.887 4.205 -3.061
150 HA GLU 18 HA GLU 18 5.708 6.297 -4.846
151 HB2 GLU 18 2HB GLU 18 4.629 4.261 -5.674
152 HB3 GLU 18 1HB GLU 18 3.189 4.637 -4.749
153 HG2 GLU 18 2HG GLU 18 2.857 5.162 -7.070
154 HG3 GLU 18 1HG GLU 18 2.851 6.640 -6.111
155 H TYR 19 H TYR 19 2.792 5.781 -2.890
156 HA TYR 19 HA TYR 19 1.887 8.423 -3.590
157 HB2 TYR 19 2HB TYR 19 0.575 6.294 -1.925
158 HB3 TYR 19 1HB TYR 19 -0.173 7.821 -2.375
159 HD1 TYR 19 1HD TYR 19 0.530 4.441 -3.378
160 HD2 TYR 19 2HD TYR 19 -0.542 8.289 -4.841
161 HE1 TYR 19 1HE TYR 19 -0.268 3.422 -5.464
162 HE2 TYR 19 2HE TYR 19 -1.335 7.285 -6.920
163 HH TYR 19 HH TYR 19 -0.938 5.256 -8.210
164 H DSG 20 H DAS 20 2.723 6.795 -0.530
165 HA DSG 20 HA DAS 20 2.755 9.492 0.608
166 HB2 DSG 20 1HB DAS 20 4.150 7.014 1.632
167 HB3 DSG 20 2HB DAS 20 4.147 8.569 2.455
168 HD21 DSG 20 1HD2 DAS 20 5.461 6.709 -0.062
169 HD22 DSG 20 2HD2 DAS 20 6.644 7.844 -0.613
170 H CYS 21 H CYS 21 0.537 9.517 0.839
171 HA CYS 21 HA CYS 21 -0.283 8.342 3.331
172 HB2 CYS 21 2HB CYS 21 -0.845 10.667 2.945
173 HB3 CYS 21 1HB CYS 21 -1.659 10.264 1.446
174 H VAL 22 H VAL 22 -0.334 6.215 2.830
175 HA VAL 22 HA VAL 22 -2.850 5.290 1.804
176 HB VAL 22 HB VAL 22 -1.767 3.374 0.572
177 HG11 VAL 22 1HG1 VAL 22 -1.186 4.575 -1.486
178 HG12 VAL 22 2HG1 VAL 22 -1.179 6.085 -0.574
179 HG13 VAL 22 3HG1 VAL 22 -2.675 5.165 -0.743
180 HG21 VAL 22 1HG2 VAL 22 0.452 3.451 1.552
181 HG22 VAL 22 2HG2 VAL 22 0.749 5.021 0.796
182 HG23 VAL 22 3HG2 VAL 22 0.538 3.582 -0.206
183 H ARG 23 H ARG 23 -3.258 3.134 2.634
184 HA ARG 23 HA ARG 23 -1.515 2.530 4.906
185 HB2 ARG 23 2HB ARG 23 -3.659 3.458 5.707
186 HB3 ARG 23 1HB ARG 23 -4.527 2.208 4.821
187 HG2 ARG 23 2HG ARG 23 -3.520 0.483 6.202
188 HG3 ARG 23 1HG ARG 23 -2.562 1.699 7.044
189 HD2 ARG 23 2HD ARG 23 -4.589 2.733 7.862
190 HD3 ARG 23 1HD ARG 23 -5.575 1.516 7.043
191 HE ARG 23 HE ARG 23 -3.755 0.194 8.667
192 HH11 ARG 23 1HH1 ARG 23 -6.476 2.412 9.160
193 HH12 ARG 23 2HH1 ARG 23 -6.921 1.758 10.671
194 HH21 ARG 23 1HH2 ARG 23 -4.364 -0.693 10.730
195 HH22 ARG 23 2HH2 ARG 23 -5.692 -0.031 11.583
196 H CYS 24 H CYS 24 -0.484 0.732 4.471
197 HA CYS 24 HA CYS 24 -1.999 -1.514 3.457
198 HB2 CYS 24 2HB CYS 24 -0.936 -0.431 1.491
199 HB3 CYS 24 1HB CYS 24 0.629 -0.579 2.273
200 H THR 25 H THR 25 -1.076 -3.486 4.130
201 HA THR 25 HA THR 25 0.920 -3.135 6.206
202 HB THR 25 HB THR 25 -1.283 -3.608 7.164
203 HG1 THR 25 1HG THR 25 0.191 -6.009 7.434
204 HG21 THR 25 1HG2 THR 25 -2.325 -4.790 5.296
205 HG22 THR 25 2HG2 THR 25 -2.442 -5.750 6.769
206 HG23 THR 25 3HG2 THR 25 -1.244 -6.162 5.541
207 H GLU 26 H GLU 26 2.699 -4.307 6.023
208 HA GLU 26 HA GLU 26 2.809 -6.779 4.565
209 HB2 GLU 26 2HB GLU 26 3.037 -4.652 2.967
210 HB3 GLU 26 1HB GLU 26 4.650 -4.578 3.640
211 HG2 GLU 26 2HG GLU 26 3.524 -6.975 2.194
212 HG3 GLU 26 1HG GLU 26 4.452 -5.693 1.427
Start of MODEL 18
1 H1 CYS 1 1HT CYS 1 -5.027 10.276 2.126
2 H2 CYS 1 2HT CYS 1 -6.472 9.464 2.522
3 H3 CYS 1 3HT CYS 1 -5.946 9.519 0.925
4 HA CYS 1 HA CYS 1 -4.009 8.226 1.483
5 HB2 CYS 1 2HB CYS 1 -5.313 7.956 4.200
6 HB3 CYS 1 1HB CYS 1 -3.750 7.326 3.697
7 H GLN 2 H GLN 2 -4.239 6.109 0.836
8 HA GLN 2 HA GLN 2 -6.981 5.028 0.808
9 HB2 GLN 2 2HB GLN 2 -4.616 4.405 -0.962
10 HB3 GLN 2 1HB GLN 2 -6.138 3.540 -1.016
11 HG2 GLN 2 2HG GLN 2 -5.734 6.458 -1.634
12 HG3 GLN 2 1HG GLN 2 -5.965 5.163 -2.802
13 HE21 GLN 2 1HE2 GLN 2 -7.474 7.205 -0.487
14 HE22 GLN 2 2HE2 GLN 2 -9.102 6.800 -0.866
15 H THR 3 H THR 3 -7.318 2.811 1.236
16 HA THR 3 HA THR 3 -5.174 1.526 2.741
17 HB THR 3 HB THR 3 -8.175 1.065 2.950
18 HG1 THR 3 1HG THR 3 -7.184 3.116 3.722
19 HG21 THR 3 1HG2 THR 3 -7.587 -0.201 4.983
20 HG22 THR 3 2HG2 THR 3 -5.877 0.094 4.671
21 HG23 THR 3 3HG2 THR 3 -6.816 -0.897 3.557
22 H TRP 4 H TRP 4 -4.477 -0.388 2.011
23 HA TRP 4 HA TRP 4 -5.687 -1.411 -0.456
24 HB2 TRP 4 2HB TRP 4 -2.907 -1.849 0.667
25 HB3 TRP 4 1HB TRP 4 -3.496 -2.443 -0.885
26 HD1 TRP 4 HD TRP 4 -2.188 0.681 0.815
27 HE1 TRP 4 1HE TRP 4 -1.883 2.538 -0.942
28 HE3 TRP 4 3HE TRP 4 -4.436 -1.580 -3.175
29 HZ2 TRP 4 2HZ TRP 4 -2.505 2.990 -3.630
30 HZ3 TRP 4 3HZ TRP 4 -4.537 -0.368 -5.309
31 HH2 TRP 4 HH TRP 4 -3.592 1.873 -5.535
32 H ARG 5 H ARG 5 -6.424 -3.486 -0.551
33 HA ARG 5 HA ARG 5 -6.399 -4.923 2.014
34 HB2 ARG 5 2HB ARG 5 -8.466 -5.032 -0.176
35 HB3 ARG 5 1HB ARG 5 -8.509 -5.940 1.320
36 HG2 ARG 5 2HG ARG 5 -8.706 -3.882 2.582
37 HG3 ARG 5 1HG ARG 5 -8.636 -2.954 1.078
38 HD2 ARG 5 2HD ARG 5 -10.682 -4.082 0.319
39 HD3 ARG 5 1HD ARG 5 -10.718 -4.999 1.823
40 HE ARG 5 HE ARG 5 -10.743 -2.107 1.981
41 HH11 ARG 5 1HH1 ARG 5 -12.569 -5.127 2.149
42 HH12 ARG 5 2HH1 ARG 5 -13.868 -4.505 3.031
43 HH21 ARG 5 1HH2 ARG 5 -12.549 -1.202 3.188
44 HH22 ARG 5 2HH2 ARG 5 -13.843 -2.201 3.683
45 H DAR 6 H DAR 6 -4.741 -6.288 1.745
46 HA DAR 6 HA DAR 6 -5.357 -8.608 0.238
47 HB2 DAR 6 1HB DAR 6 -4.243 -8.757 2.419
48 HB3 DAR 6 2HB DAR 6 -2.818 -7.978 1.745
49 HG2 DAR 6 1HG DAR 6 -2.493 -9.839 0.224
50 HG3 DAR 6 2HG DAR 6 -3.947 -10.619 0.835
51 HD2 DAR 6 1HD DAR 6 -1.976 -11.615 1.821
52 HD3 DAR 6 2HD DAR 6 -2.929 -10.790 3.052
53 HE DAR 6 HE DAR 6 -1.298 -8.911 2.733
54 HH11 DAR 6 1HH2 DAR 6 0.972 -8.561 3.247
55 HH12 DAR 6 2HH2 DAR 6 2.055 -9.861 3.143
56 HH21 DAR 6 1HH1 DAR 6 -0.338 -12.297 2.201
57 HH22 DAR 6 2HH1 DAR 6 1.293 -12.016 2.574
58 H VAL 7 H VAL 7 -2.624 -6.323 -0.053
59 HA VAL 7 HA VAL 7 -2.510 -7.191 -2.843
60 HB VAL 7 HB VAL 7 -1.216 -5.120 -3.323
61 HG11 VAL 7 1HG1 VAL 7 -3.622 -5.109 -3.651
62 HG12 VAL 7 2HG1 VAL 7 -3.072 -3.530 -3.087
63 HG13 VAL 7 3HG1 VAL 7 -3.867 -4.640 -1.969
64 HG21 VAL 7 1HG2 VAL 7 -1.095 -3.342 -1.650
65 HG22 VAL 7 2HG2 VAL 7 -0.240 -4.791 -1.114
66 HG23 VAL 7 3HG2 VAL 7 -1.831 -4.414 -0.460
67 H SER 8 H SER 8 -0.332 -7.310 -3.839
68 HA SER 8 HA SER 8 1.253 -9.115 -2.350
69 HB2 SER 8 2HB SER 8 1.898 -7.740 -4.963
70 HB3 SER 8 1HB SER 8 2.514 -9.288 -4.375
71 HG SER 8 HG SER 8 0.641 -9.147 -5.931
72 HA PRO 9 HA PRO 9 3.952 -6.448 0.006
73 HB2 PRO 9 2HB PRO 9 6.043 -8.311 -1.042
74 HB3 PRO 9 1HB PRO 9 5.800 -7.712 0.605
75 HG2 PRO 9 2HG PRO 9 4.968 -10.125 -0.006
76 HG3 PRO 9 1HG PRO 9 3.929 -9.056 0.956
77 HD2 PRO 9 2HD PRO 9 3.698 -9.837 -1.917
78 HD3 PRO 9 1HD PRO 9 2.428 -9.534 -0.710
79 H GLU 10 H GLU 10 5.419 -7.367 -3.150
80 HA GLU 10 HA GLU 10 7.115 -5.110 -3.119
81 HB2 GLU 10 2HB GLU 10 6.337 -6.828 -5.476
82 HB3 GLU 10 1HB GLU 10 7.647 -5.655 -5.464
83 HG2 GLU 10 2HG GLU 10 8.687 -6.935 -3.591
84 HG3 GLU 10 1HG GLU 10 7.461 -8.174 -3.823
85 H GLU 11 H GLU 11 3.999 -5.713 -4.628
86 HA GLU 11 HA GLU 11 3.772 -3.177 -5.856
87 HB2 GLU 11 2HB GLU 11 1.717 -5.186 -4.952
88 HB3 GLU 11 1HB GLU 11 1.265 -3.658 -5.690
89 HG2 GLU 11 2HG GLU 11 2.984 -5.769 -6.962
90 HG3 GLU 11 1HG GLU 11 1.273 -5.495 -7.294
91 H CYS 12 H CYS 12 2.843 -4.453 -2.732
92 HA CYS 12 HA CYS 12 1.569 -2.280 -1.622
93 HB2 CYS 12 2HB CYS 12 1.707 -4.487 -0.524
94 HB3 CYS 12 1HB CYS 12 3.421 -4.232 -0.245
95 H ARG 13 H ARG 13 5.069 -3.031 -1.437
96 HA ARG 13 HA ARG 13 5.651 -0.589 -0.146
97 HB2 ARG 13 2HB ARG 13 8.028 -1.050 -0.584
98 HB3 ARG 13 1HB ARG 13 7.189 -2.433 0.095
99 HG2 ARG 13 2HG ARG 13 7.048 -3.389 -2.160
100 HG3 ARG 13 1HG ARG 13 8.009 -2.038 -2.766
101 HD2 ARG 13 2HD ARG 13 9.424 -3.977 -2.333
102 HD3 ARG 13 1HD ARG 13 9.827 -2.647 -1.247
103 HE ARG 13 HE ARG 13 7.934 -4.558 -0.194
104 HH11 ARG 13 1HH1 ARG 13 11.368 -3.648 -0.392
105 HH12 ARG 13 2HH1 ARG 13 11.804 -4.535 0.972
106 HH21 ARG 13 1HH2 ARG 13 8.576 -5.796 1.656
107 HH22 ARG 13 2HH2 ARG 13 10.203 -5.791 2.163
108 H LYS 14 H LYS 14 5.443 -1.442 -3.518
109 HA LYS 14 HA LYS 14 6.492 0.914 -4.604
110 HB2 LYS 14 2HB LYS 14 5.967 -0.924 -6.055
111 HB3 LYS 14 1HB LYS 14 4.294 -0.935 -5.538
112 HG2 LYS 14 2HG LYS 14 4.538 -0.062 -7.799
113 HG3 LYS 14 1HG LYS 14 3.904 1.161 -6.706
114 HD2 LYS 14 2HD LYS 14 6.054 2.244 -6.595
115 HD3 LYS 14 1HD LYS 14 6.800 0.942 -7.527
116 HE2 LYS 14 2HE LYS 14 5.381 1.491 -9.434
117 HE3 LYS 14 1HE LYS 14 4.608 2.769 -8.501
118 HZ1 LYS 14 1HZ LYS 14 6.353 3.471 -10.095
119 HZ2 LYS 14 2HZ LYS 14 7.519 2.758 -9.111
120 HZ3 LYS 14 3HZ LYS 14 6.566 4.044 -8.543
121 H TYR 15 H TYR 15 3.198 0.126 -3.558
122 HA TYR 15 HA TYR 15 2.142 2.690 -4.127
123 HB2 TYR 15 2HB TYR 15 1.088 0.682 -2.113
124 HB3 TYR 15 1HB TYR 15 0.170 1.983 -2.853
125 HD1 TYR 15 1HD TYR 15 -0.358 -1.091 -2.797
126 HD2 TYR 15 2HD TYR 15 1.338 1.503 -5.720
127 HE1 TYR 15 1HE TYR 15 -0.974 -2.675 -4.566
128 HE2 TYR 15 2HE TYR 15 0.720 -0.067 -7.485
129 HH TYR 15 HH TYR 15 0.315 -2.566 -7.638
130 H LYS 16 H LYS 16 3.587 1.269 -1.297
131 HA LYS 16 HA LYS 16 3.061 3.316 0.550
132 HB2 LYS 16 2HB LYS 16 5.358 1.376 0.452
133 HB3 LYS 16 1HB LYS 16 5.004 2.431 1.805
134 HG2 LYS 16 2HG LYS 16 2.867 1.327 2.148
135 HG3 LYS 16 1HG LYS 16 3.153 0.309 0.736
136 HD2 LYS 16 2HD LYS 16 3.663 -0.924 2.754
137 HD3 LYS 16 1HD LYS 16 5.144 -0.637 1.850
138 HE2 LYS 16 2HE LYS 16 5.495 -0.265 4.225
139 HE3 LYS 16 1HE LYS 16 5.692 1.237 3.334
140 HZ1 LYS 16 1HZ LYS 16 4.397 1.521 5.358
141 HZ2 LYS 16 2HZ LYS 16 3.265 0.421 4.833
142 HZ3 LYS 16 3HZ LYS 16 3.445 1.888 4.019
143 H GLU 17 H GLU 17 5.639 2.951 -1.800
144 HA GLU 17 HA GLU 17 6.978 5.331 -0.797
145 HB2 GLU 17 2HB GLU 17 8.250 3.368 -1.529
146 HB3 GLU 17 1HB GLU 17 7.603 3.560 -3.149
147 HG2 GLU 17 2HG GLU 17 9.805 4.429 -3.126
148 HG3 GLU 17 1HG GLU 17 8.693 5.788 -3.245
149 H GLU 18 H GLU 18 4.928 4.373 -3.471
150 HA GLU 18 HA GLU 18 5.551 6.720 -4.989
151 HB2 GLU 18 2HB GLU 18 4.866 4.409 -5.877
152 HB3 GLU 18 1HB GLU 18 3.221 4.907 -5.511
153 HG2 GLU 18 2HG GLU 18 3.723 5.313 -7.830
154 HG3 GLU 18 1HG GLU 18 3.500 6.847 -6.980
155 H TYR 19 H TYR 19 2.783 5.640 -3.028
156 HA TYR 19 HA TYR 19 1.455 8.152 -3.681
157 HB2 TYR 19 2HB TYR 19 0.382 5.811 -2.126
158 HB3 TYR 19 1HB TYR 19 -0.532 7.219 -2.645
159 HD1 TYR 19 1HD TYR 19 -0.159 3.948 -3.275
160 HD2 TYR 19 2HD TYR 19 -0.019 7.618 -5.394
161 HE1 TYR 19 1HE TYR 19 -0.720 2.760 -5.342
162 HE2 TYR 19 2HE TYR 19 -0.581 6.451 -7.473
163 HH TYR 19 HH TYR 19 -0.346 4.083 -8.355
164 H DSG 20 H DAS 20 3.078 6.648 -1.026
165 HA DSG 20 HA DAS 20 2.747 9.166 0.383
166 HB2 DSG 20 1HB DAS 20 4.556 6.856 1.045
167 HB3 DSG 20 2HB DAS 20 4.519 8.388 1.900
168 HD21 DSG 20 1HD2 DAS 20 6.714 7.180 0.593
169 HD22 DSG 20 2HD2 DAS 20 7.220 8.239 -0.669
170 H CYS 21 H CYS 21 0.907 9.235 1.414
171 HA CYS 21 HA CYS 21 0.643 7.683 3.791
172 HB2 CYS 21 2HB CYS 21 0.030 10.083 3.707
173 HB3 CYS 21 1HB CYS 21 -1.279 9.695 2.603
174 H VAL 22 H VAL 22 0.292 5.579 3.225
175 HA VAL 22 HA VAL 22 -2.436 5.002 2.412
176 HB VAL 22 HB VAL 22 -1.707 3.069 1.000
177 HG11 VAL 22 1HG1 VAL 22 -0.684 5.716 0.023
178 HG12 VAL 22 2HG1 VAL 22 -2.331 5.105 -0.121
179 HG13 VAL 22 3HG1 VAL 22 -1.015 4.308 -0.985
180 HG21 VAL 22 1HG2 VAL 22 1.055 4.254 1.267
181 HG22 VAL 22 2HG2 VAL 22 0.606 2.937 0.182
182 HG23 VAL 22 3HG2 VAL 22 0.519 2.710 1.930
183 H ARG 23 H ARG 23 -3.211 3.073 3.246
184 HA ARG 23 HA ARG 23 -1.524 1.925 5.352
185 HB2 ARG 23 2HB ARG 23 -4.548 1.895 5.114
186 HB3 ARG 23 1HB ARG 23 -3.633 1.122 6.402
187 HG2 ARG 23 2HG ARG 23 -2.758 3.351 7.053
188 HG3 ARG 23 1HG ARG 23 -3.797 4.077 5.832
189 HD2 ARG 23 2HD ARG 23 -4.686 2.471 8.228
190 HD3 ARG 23 1HD ARG 23 -4.837 4.214 8.027
191 HE ARG 23 HE ARG 23 -6.114 2.946 5.891
192 HH11 ARG 23 1HH1 ARG 23 -6.572 3.488 9.356
193 HH12 ARG 23 2HH1 ARG 23 -8.250 3.287 9.314
194 HH21 ARG 23 1HH2 ARG 23 -8.370 2.610 5.824
195 HH22 ARG 23 2HH2 ARG 23 -9.332 2.732 7.239
196 H CYS 24 H CYS 24 -0.595 0.131 4.749
197 HA CYS 24 HA CYS 24 -2.033 -1.691 2.980
198 HB2 CYS 24 2HB CYS 24 -0.376 -0.244 1.761
199 HB3 CYS 24 1HB CYS 24 0.887 -0.928 2.772
200 H THR 25 H THR 25 -0.872 -3.861 2.983
201 HA THR 25 HA THR 25 -0.785 -4.903 5.596
202 HB THR 25 HB THR 25 -1.558 -6.242 3.689
203 HG1 THR 25 1HG THR 25 -0.784 -7.426 5.344
204 HG21 THR 25 1HG2 THR 25 1.297 -6.143 2.698
205 HG22 THR 25 2HG2 THR 25 -0.085 -5.358 1.938
206 HG23 THR 25 3HG2 THR 25 0.003 -7.118 2.002
207 H GLU 26 H GLU 26 0.962 -5.697 6.811
208 HA GLU 26 HA GLU 26 3.625 -5.215 5.747
209 HB2 GLU 26 2HB GLU 26 3.067 -3.416 7.384
210 HB3 GLU 26 1HB GLU 26 2.791 -4.653 8.604
211 HG2 GLU 26 2HG GLU 26 5.104 -5.365 8.440
212 HG3 GLU 26 1HG GLU 26 5.396 -4.171 7.182
Start of MODEL 19
1 H1 CYS 1 1HT CYS 1 -5.726 8.247 3.720
2 H2 CYS 1 2HT CYS 1 -4.454 8.754 4.691
3 H3 CYS 1 3HT CYS 1 -5.428 7.439 5.161
4 HA CYS 1 HA CYS 1 -3.687 7.498 2.793
5 HB2 CYS 1 2HB CYS 1 -3.376 6.138 5.481
6 HB3 CYS 1 1HB CYS 1 -2.391 5.769 4.073
7 H GLN 2 H GLN 2 -4.428 6.120 1.234
8 HA GLN 2 HA GLN 2 -6.663 4.467 1.624
9 HB2 GLN 2 2HB GLN 2 -4.573 4.371 -0.558
10 HB3 GLN 2 1HB GLN 2 -5.883 3.215 -0.486
11 HG2 GLN 2 2HG GLN 2 -6.444 4.885 -2.061
12 HG3 GLN 2 1HG GLN 2 -7.483 5.113 -0.659
13 HE21 GLN 2 1HE2 GLN 2 -4.894 6.344 -2.517
14 HE22 GLN 2 2HE2 GLN 2 -4.825 7.920 -1.836
15 H THR 3 H THR 3 -6.912 2.508 2.417
16 HA THR 3 HA THR 3 -4.499 1.119 3.263
17 HB THR 3 HB THR 3 -7.362 0.467 4.024
18 HG1 THR 3 1HG THR 3 -6.404 2.687 4.573
19 HG21 THR 3 1HG2 THR 3 -6.262 -0.616 5.951
20 HG22 THR 3 2HG2 THR 3 -4.688 -0.152 5.309
21 HG23 THR 3 3HG2 THR 3 -5.694 -1.300 4.428
22 H TRP 4 H TRP 4 -3.807 -0.415 2.018
23 HA TRP 4 HA TRP 4 -5.472 -1.539 -0.072
24 HB2 TRP 4 2HB TRP 4 -2.542 -1.948 0.544
25 HB3 TRP 4 1HB TRP 4 -3.384 -2.529 -0.885
26 HD1 TRP 4 HD TRP 4 -1.793 0.561 0.603
27 HE1 TRP 4 1HE TRP 4 -1.728 2.420 -1.178
28 HE3 TRP 4 3HE TRP 4 -4.677 -1.635 -2.999
29 HZ2 TRP 4 2HZ TRP 4 -2.759 2.904 -3.747
30 HZ3 TRP 4 3HZ TRP 4 -5.083 -0.405 -5.084
31 HH2 TRP 4 HH TRP 4 -4.142 1.824 -5.441
32 H ARG 5 H ARG 5 -6.090 -3.626 -0.180
33 HA ARG 5 HA ARG 5 -5.239 -5.459 1.940
34 HB2 ARG 5 2HB ARG 5 -8.018 -5.147 0.765
35 HB3 ARG 5 1HB ARG 5 -7.509 -6.586 1.617
36 HG2 ARG 5 2HG ARG 5 -8.788 -5.294 3.126
37 HG3 ARG 5 1HG ARG 5 -7.110 -5.136 3.628
38 HD2 ARG 5 2HD ARG 5 -8.259 -3.012 3.757
39 HD3 ARG 5 1HD ARG 5 -6.997 -2.952 2.530
40 HE ARG 5 HE ARG 5 -9.039 -3.512 0.994
41 HH11 ARG 5 1HH1 ARG 5 -9.038 -1.309 3.750
42 HH12 ARG 5 2HH1 ARG 5 -10.163 -0.237 3.083
43 HH21 ARG 5 1HH2 ARG 5 -10.607 -2.065 0.084
44 HH22 ARG 5 2HH2 ARG 5 -11.106 -0.675 0.954
45 H DAR 6 H DAR 6 -4.450 -7.286 1.181
46 HA DAR 6 HA DAR 6 -5.401 -8.370 -1.293
47 HB2 DAR 6 1HB DAR 6 -3.979 -10.260 -0.874
48 HB3 DAR 6 2HB DAR 6 -4.917 -9.862 0.552
49 HG2 DAR 6 1HG DAR 6 -2.954 -8.847 1.585
50 HG3 DAR 6 2HG DAR 6 -2.019 -9.190 0.131
51 HD2 DAR 6 1HD DAR 6 -3.340 -11.230 1.916
52 HD3 DAR 6 2HD DAR 6 -1.611 -10.877 1.836
53 HE DAR 6 HE DAR 6 -2.267 -11.467 -0.716
54 HH11 DAR 6 1HH2 DAR 6 -2.227 -13.563 -1.715
55 HH12 DAR 6 2HH2 DAR 6 -2.390 -14.969 -0.768
56 HH21 DAR 6 1HH1 DAR 6 -2.627 -13.235 2.325
57 HH22 DAR 6 2HH1 DAR 6 -2.626 -14.781 1.615
58 H VAL 7 H VAL 7 -2.599 -6.593 -0.307
59 HA VAL 7 HA VAL 7 -1.676 -6.824 -3.071
60 HB VAL 7 HB VAL 7 -0.383 -4.733 -2.717
61 HG11 VAL 7 1HG1 VAL 7 -2.289 -3.189 -2.720
62 HG12 VAL 7 2HG1 VAL 7 -3.328 -4.490 -2.134
63 HG13 VAL 7 3HG1 VAL 7 -2.578 -4.608 -3.726
64 HG21 VAL 7 1HG2 VAL 7 -1.819 -4.607 -0.060
65 HG22 VAL 7 2HG2 VAL 7 -0.812 -3.331 -0.747
66 HG23 VAL 7 3HG2 VAL 7 -0.091 -4.876 -0.290
67 H SER 8 H SER 8 0.486 -7.182 -3.513
68 HA SER 8 HA SER 8 1.779 -8.840 -1.549
69 HB2 SER 8 2HB SER 8 3.503 -9.122 -3.363
70 HB3 SER 8 1HB SER 8 1.868 -9.535 -3.884
71 HG SER 8 HG SER 8 1.731 -7.561 -4.887
72 HA PRO 9 HA PRO 9 4.601 -6.053 0.451
73 HB2 PRO 9 2HB PRO 9 7.031 -7.264 -0.295
74 HB3 PRO 9 1HB PRO 9 6.114 -7.607 1.172
75 HG2 PRO 9 2HG PRO 9 6.167 -9.055 -1.433
76 HG3 PRO 9 1HG PRO 9 6.011 -9.711 0.205
77 HD2 PRO 9 2HD PRO 9 3.901 -9.579 -1.384
78 HD3 PRO 9 1HD PRO 9 3.743 -9.154 0.332
79 H GLU 10 H GLU 10 5.519 -7.155 -2.736
80 HA GLU 10 HA GLU 10 7.234 -5.128 -3.576
81 HB2 GLU 10 2HB GLU 10 6.932 -7.270 -4.696
82 HB3 GLU 10 1HB GLU 10 5.289 -6.830 -5.118
83 HG2 GLU 10 2HG GLU 10 6.177 -4.999 -6.499
84 HG3 GLU 10 1HG GLU 10 7.812 -5.556 -6.127
85 H GLU 11 H GLU 11 3.786 -5.569 -4.372
86 HA GLU 11 HA GLU 11 3.348 -3.133 -5.641
87 HB2 GLU 11 2HB GLU 11 1.425 -4.836 -4.067
88 HB3 GLU 11 1HB GLU 11 0.960 -3.545 -5.166
89 HG2 GLU 11 2HG GLU 11 1.780 -4.738 -7.037
90 HG3 GLU 11 1HG GLU 11 2.563 -5.933 -6.002
91 H CYS 12 H CYS 12 2.818 -4.084 -2.282
92 HA CYS 12 HA CYS 12 1.746 -1.733 -1.292
93 HB2 CYS 12 2HB CYS 12 1.785 -3.736 0.047
94 HB3 CYS 12 1HB CYS 12 3.545 -3.737 0.068
95 H ARG 13 H ARG 13 5.178 -2.662 -1.505
96 HA ARG 13 HA ARG 13 6.121 -0.322 -0.251
97 HB2 ARG 13 2HB ARG 13 7.393 -2.454 -0.414
98 HB3 ARG 13 1HB ARG 13 7.575 -2.178 -2.136
99 HG2 ARG 13 2HG ARG 13 8.858 -0.178 -1.704
100 HG3 ARG 13 1HG ARG 13 8.626 -0.388 0.029
101 HD2 ARG 13 2HD ARG 13 10.026 -2.353 -1.776
102 HD3 ARG 13 1HD ARG 13 10.824 -1.174 -0.736
103 HE ARG 13 HE ARG 13 9.028 -2.832 0.726
104 HH11 ARG 13 1HH1 ARG 13 12.235 -2.809 -0.732
105 HH12 ARG 13 2HH1 ARG 13 12.926 -3.867 0.406
106 HH21 ARG 13 1HH2 ARG 13 9.987 -4.345 2.324
107 HH22 ARG 13 2HH2 ARG 13 11.624 -4.740 2.154
108 H LYS 14 H LYS 14 5.539 -1.224 -3.591
109 HA LYS 14 HA LYS 14 6.667 1.083 -4.755
110 HB2 LYS 14 2HB LYS 14 6.246 -0.934 -6.082
111 HB3 LYS 14 1HB LYS 14 4.516 -0.763 -5.824
112 HG2 LYS 14 2HG LYS 14 5.059 0.010 -8.035
113 HG3 LYS 14 1HG LYS 14 4.586 1.387 -7.037
114 HD2 LYS 14 2HD LYS 14 7.039 1.808 -6.631
115 HD3 LYS 14 1HD LYS 14 7.374 0.577 -7.848
116 HE2 LYS 14 2HE LYS 14 5.878 3.165 -8.238
117 HE3 LYS 14 1HE LYS 14 7.481 2.773 -8.842
118 HZ1 LYS 14 1HZ LYS 14 6.444 1.013 -10.200
119 HZ2 LYS 14 2HZ LYS 14 5.927 2.556 -10.585
120 HZ3 LYS 14 3HZ LYS 14 4.909 1.552 -9.714
121 H TYR 15 H TYR 15 3.339 0.273 -3.789
122 HA TYR 15 HA TYR 15 2.184 2.670 -4.660
123 HB2 TYR 15 2HB TYR 15 1.282 0.814 -2.451
124 HB3 TYR 15 1HB TYR 15 0.332 2.171 -3.029
125 HD1 TYR 15 1HD TYR 15 -0.126 -0.985 -3.000
126 HD2 TYR 15 2HD TYR 15 0.891 1.848 -6.017
127 HE1 TYR 15 1HE TYR 15 -1.115 -2.438 -4.702
128 HE2 TYR 15 2HE TYR 15 -0.094 0.404 -7.713
129 HH TYR 15 HH TYR 15 -2.063 -2.238 -6.918
130 H LYS 16 H LYS 16 3.666 1.822 -1.585
131 HA LYS 16 HA LYS 16 3.065 4.289 -0.360
132 HB2 LYS 16 2HB LYS 16 5.385 2.439 0.198
133 HB3 LYS 16 1HB LYS 16 4.918 3.806 1.197
134 HG2 LYS 16 2HG LYS 16 2.714 2.711 1.549
135 HG3 LYS 16 1HG LYS 16 3.328 1.297 0.686
136 HD2 LYS 16 2HD LYS 16 3.556 0.902 3.024
137 HD3 LYS 16 1HD LYS 16 5.174 1.205 2.381
138 HE2 LYS 16 2HE LYS 16 4.989 3.561 3.158
139 HE3 LYS 16 1HE LYS 16 3.416 3.172 3.844
140 HZ1 LYS 16 1HZ LYS 16 4.552 1.513 5.243
141 HZ2 LYS 16 2HZ LYS 16 5.039 3.089 5.536
142 HZ3 LYS 16 3HZ LYS 16 6.036 2.060 4.646
143 H GLU 17 H GLU 17 5.809 3.189 -2.240
144 HA GLU 17 HA GLU 17 7.433 5.449 -2.014
145 HB2 GLU 17 2HB GLU 17 8.184 3.304 -2.940
146 HB3 GLU 17 1HB GLU 17 7.146 3.540 -4.334
147 HG2 GLU 17 2HG GLU 17 8.445 5.551 -4.919
148 HG3 GLU 17 1HG GLU 17 9.510 5.217 -3.558
149 H GLU 18 H GLU 18 4.854 4.710 -4.287
150 HA GLU 18 HA GLU 18 5.311 7.136 -5.740
151 HB2 GLU 18 2HB GLU 18 4.596 5.134 -6.942
152 HB3 GLU 18 1HB GLU 18 3.091 5.109 -6.033
153 HG2 GLU 18 2HG GLU 18 2.428 7.206 -7.001
154 HG3 GLU 18 1HG GLU 18 3.949 7.338 -7.873
155 H TYR 19 H TYR 19 2.623 5.976 -3.658
156 HA TYR 19 HA TYR 19 1.283 8.485 -4.109
157 HB2 TYR 19 2HB TYR 19 0.451 6.194 -2.343
158 HB3 TYR 19 1HB TYR 19 -0.532 7.598 -2.733
159 HD1 TYR 19 1HD TYR 19 -0.689 7.998 -5.434
160 HD2 TYR 19 2HD TYR 19 -0.018 4.281 -3.489
161 HE1 TYR 19 1HE TYR 19 -1.573 6.822 -7.388
162 HE2 TYR 19 2HE TYR 19 -0.893 3.093 -5.444
163 HH TYR 19 HH TYR 19 -1.301 4.479 -8.414
164 H DSG 20 H DAS 20 2.950 7.008 -1.342
165 HA DSG 20 HA DAS 20 2.687 9.622 -0.073
166 HB2 DSG 20 1HB DAS 20 4.602 7.376 0.557
167 HB3 DSG 20 2HB DAS 20 4.489 8.863 1.488
168 HD21 DSG 20 1HD2 DAS 20 6.660 7.736 -0.001
169 HD22 DSG 20 2HD2 DAS 20 7.177 8.934 -1.142
170 H CYS 21 H CYS 21 0.609 9.383 0.610
171 HA CYS 21 HA CYS 21 0.442 8.082 3.178
172 HB2 CYS 21 2HB CYS 21 -0.311 10.393 2.957
173 HB3 CYS 21 1HB CYS 21 -1.440 9.933 1.705
174 H VAL 22 H VAL 22 0.406 5.919 2.562
175 HA VAL 22 HA VAL 22 -2.251 4.929 2.066
176 HB VAL 22 HB VAL 22 -1.426 3.135 0.505
177 HG11 VAL 22 1HG1 VAL 22 -1.117 5.912 -0.610
178 HG12 VAL 22 2HG1 VAL 22 -2.627 5.025 -0.439
179 HG13 VAL 22 3HG1 VAL 22 -1.388 4.448 -1.556
180 HG21 VAL 22 1HG2 VAL 22 0.909 3.219 0.997
181 HG22 VAL 22 2HG2 VAL 22 1.034 4.851 0.333
182 HG23 VAL 22 3HG2 VAL 22 0.673 3.486 -0.732
183 H ARG 23 H ARG 23 -2.368 2.637 2.714
184 HA ARG 23 HA ARG 23 -0.206 1.791 4.495
185 HB2 ARG 23 2HB ARG 23 -3.130 1.952 5.290
186 HB3 ARG 23 1HB ARG 23 -1.850 1.216 6.239
187 HG2 ARG 23 2HG ARG 23 -2.054 4.144 5.538
188 HG3 ARG 23 1HG ARG 23 -2.484 3.429 7.089
189 HD2 ARG 23 2HD ARG 23 0.270 3.414 5.841
190 HD3 ARG 23 1HD ARG 23 -0.266 4.484 7.127
191 HE ARG 23 HE ARG 23 -0.722 1.877 7.931
192 HH11 ARG 23 1HH1 ARG 23 2.065 3.968 7.210
193 HH12 ARG 23 2HH1 ARG 23 3.096 3.185 8.312
194 HH21 ARG 23 1HH2 ARG 23 0.769 0.799 9.447
195 HH22 ARG 23 2HH2 ARG 23 2.362 1.399 9.590
196 H CYS 24 H CYS 24 -0.226 -0.488 4.803
197 HA CYS 24 HA CYS 24 -1.995 -1.921 2.938
198 HB2 CYS 24 2HB CYS 24 0.807 -2.660 3.775
199 HB3 CYS 24 1HB CYS 24 -0.192 -3.497 2.593
200 H THR 25 H THR 25 -2.751 -3.963 3.615
201 HA THR 25 HA THR 25 -2.924 -4.241 6.481
202 HB THR 25 HB THR 25 -4.232 -5.830 4.256
203 HG1 THR 25 1HG THR 25 -4.896 -3.739 4.159
204 HG21 THR 25 1HG2 THR 25 -4.217 -7.042 6.395
205 HG22 THR 25 2HG2 THR 25 -5.851 -6.499 6.013
206 HG23 THR 25 3HG2 THR 25 -4.890 -5.637 7.216
207 H GLU 26 H GLU 26 -1.029 -5.025 7.202
208 HA GLU 26 HA GLU 26 -0.209 -7.651 6.243
209 HB2 GLU 26 2HB GLU 26 1.477 -6.060 5.538
210 HB3 GLU 26 1HB GLU 26 1.543 -5.356 7.146
211 HG2 GLU 26 2HG GLU 26 2.507 -7.373 8.041
212 HG3 GLU 26 1HG GLU 26 2.329 -8.184 6.488
Start of MODEL 20
1 H1 CYS 1 1HT CYS 1 -5.538 9.130 0.212
2 H2 CYS 1 2HT CYS 1 -4.991 10.000 1.544
3 H3 CYS 1 3HT CYS 1 -6.479 9.161 1.607
4 HA CYS 1 HA CYS 1 -3.840 7.930 1.295
5 HB2 CYS 1 2HB CYS 1 -5.712 7.944 3.682
6 HB3 CYS 1 1HB CYS 1 -4.135 7.162 3.597
7 H GLN 2 H GLN 2 -3.879 5.772 0.807
8 HA GLN 2 HA GLN 2 -6.522 4.644 0.144
9 HB2 GLN 2 2HB GLN 2 -3.816 4.070 -1.083
10 HB3 GLN 2 1HB GLN 2 -5.314 3.282 -1.521
11 HG2 GLN 2 2HG GLN 2 -4.908 6.244 -1.770
12 HG3 GLN 2 1HG GLN 2 -4.514 5.109 -3.055
13 HE21 GLN 2 1HE2 GLN 2 -6.018 6.080 -4.396
14 HE22 GLN 2 2HE2 GLN 2 -7.717 5.829 -4.218
15 H THR 3 H THR 3 -7.084 2.765 1.109
16 HA THR 3 HA THR 3 -5.113 1.468 2.808
17 HB THR 3 HB THR 3 -8.132 1.142 2.761
18 HG1 THR 3 1HG THR 3 -7.908 2.432 4.742
19 HG21 THR 3 1HG2 THR 3 -7.808 0.111 4.971
20 HG22 THR 3 2HG2 THR 3 -6.068 0.348 4.833
21 HG23 THR 3 3HG2 THR 3 -6.894 -0.763 3.742
22 H TRP 4 H TRP 4 -4.118 -0.148 1.876
23 HA TRP 4 HA TRP 4 -5.392 -1.659 -0.296
24 HB2 TRP 4 2HB TRP 4 -2.491 -1.761 0.563
25 HB3 TRP 4 1HB TRP 4 -3.184 -2.340 -0.940
26 HD1 TRP 4 HD TRP 4 -1.695 0.703 0.671
27 HE1 TRP 4 1HE TRP 4 -1.585 2.622 -1.038
28 HE3 TRP 4 3HE TRP 4 -4.556 -1.323 -3.030
29 HZ2 TRP 4 2HZ TRP 4 -2.566 3.213 -3.582
30 HZ3 TRP 4 3HZ TRP 4 -4.925 -0.002 -5.084
31 HH2 TRP 4 HH TRP 4 -3.952 2.217 -5.347
32 H ARG 5 H ARG 5 -6.410 -3.422 0.461
33 HA ARG 5 HA ARG 5 -5.127 -4.921 2.624
34 HB2 ARG 5 2HB ARG 5 -8.056 -4.702 1.922
35 HB3 ARG 5 1HB ARG 5 -7.428 -5.850 3.094
36 HG2 ARG 5 2HG ARG 5 -6.559 -3.997 4.435
37 HG3 ARG 5 1HG ARG 5 -7.209 -2.856 3.264
38 HD2 ARG 5 2HD ARG 5 -9.469 -3.615 3.769
39 HD3 ARG 5 1HD ARG 5 -8.834 -4.806 4.903
40 HE ARG 5 HE ARG 5 -7.800 -2.381 5.667
41 HH11 ARG 5 1HH1 ARG 5 -11.011 -3.889 5.622
42 HH12 ARG 5 2HH1 ARG 5 -11.671 -2.818 6.758
43 HH21 ARG 5 1HH2 ARG 5 -8.718 -0.967 7.290
44 HH22 ARG 5 2HH2 ARG 5 -10.344 -1.173 7.743
45 H DAR 6 H DAR 6 -4.089 -6.548 1.864
46 HA DAR 6 HA DAR 6 -5.404 -8.485 0.213
47 HB2 DAR 6 1HB DAR 6 -2.606 -8.425 1.319
48 HB3 DAR 6 2HB DAR 6 -3.256 -9.757 0.383
49 HG2 DAR 6 1HG DAR 6 -4.280 -8.812 3.046
50 HG3 DAR 6 2HG DAR 6 -3.302 -10.245 2.755
51 HD2 DAR 6 1HD DAR 6 -5.101 -11.143 1.309
52 HD3 DAR 6 2HD DAR 6 -6.087 -9.741 1.729
53 HE DAR 6 HE DAR 6 -5.127 -11.094 4.017
54 HH11 DAR 6 1HH2 DAR 6 -6.621 -12.359 5.328
55 HH12 DAR 6 2HH2 DAR 6 -8.137 -12.792 4.695
56 HH21 DAR 6 1HH1 DAR 6 -7.695 -11.177 1.573
57 HH22 DAR 6 2HH1 DAR 6 -8.767 -12.078 2.531
58 H VAL 7 H VAL 7 -2.324 -6.725 -0.152
59 HA VAL 7 HA VAL 7 -2.518 -7.304 -3.001
60 HB VAL 7 HB VAL 7 -1.379 -5.173 -3.550
61 HG11 VAL 7 1HG1 VAL 7 -3.202 -3.597 -3.116
62 HG12 VAL 7 2HG1 VAL 7 -3.882 -4.724 -1.942
63 HG13 VAL 7 3HG1 VAL 7 -3.789 -5.174 -3.644
64 HG21 VAL 7 1HG2 VAL 7 -1.686 -4.479 -0.629
65 HG22 VAL 7 2HG2 VAL 7 -1.103 -3.393 -1.892
66 HG23 VAL 7 3HG2 VAL 7 -0.170 -4.826 -1.460
67 H SER 8 H SER 8 -0.454 -7.597 -4.027
68 HA SER 8 HA SER 8 1.187 -9.284 -2.550
69 HB2 SER 8 2HB SER 8 1.760 -7.907 -5.179
70 HB3 SER 8 1HB SER 8 2.513 -9.390 -4.578
71 HG SER 8 HG SER 8 -0.033 -9.825 -4.390
72 HA PRO 9 HA PRO 9 3.940 -6.892 -0.056
73 HB2 PRO 9 2HB PRO 9 6.031 -8.589 -1.345
74 HB3 PRO 9 1HB PRO 9 5.805 -8.186 0.363
75 HG2 PRO 9 2HG PRO 9 5.027 -10.540 -0.548
76 HG3 PRO 9 1HG PRO 9 4.021 -9.647 0.608
77 HD2 PRO 9 2HD PRO 9 3.616 -10.082 -2.307
78 HD3 PRO 9 1HD PRO 9 2.428 -9.888 -1.009
79 H GLU 10 H GLU 10 5.376 -7.563 -3.271
80 HA GLU 10 HA GLU 10 7.102 -5.344 -3.166
81 HB2 GLU 10 2HB GLU 10 6.098 -6.830 -5.598
82 HB3 GLU 10 1HB GLU 10 7.440 -5.695 -5.590
83 HG2 GLU 10 2HG GLU 10 7.319 -8.340 -4.144
84 HG3 GLU 10 1HG GLU 10 8.271 -7.964 -5.576
85 H GLU 11 H GLU 11 3.931 -5.764 -4.644
86 HA GLU 11 HA GLU 11 3.784 -3.158 -5.730
87 HB2 GLU 11 2HB GLU 11 1.571 -5.060 -4.957
88 HB3 GLU 11 1HB GLU 11 1.316 -3.554 -5.826
89 HG2 GLU 11 2HG GLU 11 2.737 -4.382 -7.644
90 HG3 GLU 11 1HG GLU 11 2.938 -5.900 -6.774
91 H CYS 12 H CYS 12 2.862 -4.511 -2.642
92 HA CYS 12 HA CYS 12 1.554 -2.334 -1.495
93 HB2 CYS 12 2HB CYS 12 1.691 -4.570 -0.442
94 HB3 CYS 12 1HB CYS 12 3.409 -4.333 -0.171
95 H ARG 13 H ARG 13 5.000 -3.132 -1.551
96 HA ARG 13 HA ARG 13 6.039 -0.918 -0.168
97 HB2 ARG 13 2HB ARG 13 7.253 -2.474 -2.448
98 HB3 ARG 13 1HB ARG 13 8.137 -1.422 -1.358
99 HG2 ARG 13 2HG ARG 13 7.701 -2.866 0.480
100 HG3 ARG 13 1HG ARG 13 6.624 -3.861 -0.503
101 HD2 ARG 13 2HD ARG 13 8.767 -4.926 -0.288
102 HD3 ARG 13 1HD ARG 13 8.522 -4.427 -1.962
103 HE ARG 13 HE ARG 13 9.918 -2.440 -0.577
104 HH11 ARG 13 1HH1 ARG 13 10.352 -5.702 -1.878
105 HH12 ARG 13 2HH1 ARG 13 12.047 -5.620 -1.914
106 HH21 ARG 13 1HH2 ARG 13 12.244 -2.312 -0.674
107 HH22 ARG 13 2HH2 ARG 13 13.157 -3.635 -1.243
108 H LYS 14 H LYS 14 5.453 -1.487 -3.577
109 HA LYS 14 HA LYS 14 6.442 0.936 -4.532
110 HB2 LYS 14 2HB LYS 14 4.391 -0.927 -5.740
111 HB3 LYS 14 1HB LYS 14 5.131 0.420 -6.598
112 HG2 LYS 14 2HG LYS 14 7.316 -0.577 -6.391
113 HG3 LYS 14 1HG LYS 14 6.672 -1.856 -5.377
114 HD2 LYS 14 2HD LYS 14 7.029 -2.788 -7.540
115 HD3 LYS 14 1HD LYS 14 5.295 -2.596 -7.351
116 HE2 LYS 14 2HE LYS 14 6.991 -0.555 -8.782
117 HE3 LYS 14 1HE LYS 14 6.348 -1.968 -9.602
118 HZ1 LYS 14 1HZ LYS 14 4.110 -1.198 -9.052
119 HZ2 LYS 14 2HZ LYS 14 4.948 -0.047 -9.928
120 HZ3 LYS 14 3HZ LYS 14 4.729 0.170 -8.291
121 H TYR 15 H TYR 15 3.127 0.059 -3.625
122 HA TYR 15 HA TYR 15 2.000 2.563 -4.238
123 HB2 TYR 15 2HB TYR 15 1.112 0.510 -2.206
124 HB3 TYR 15 1HB TYR 15 0.176 1.933 -2.633
125 HD1 TYR 15 1HD TYR 15 0.446 2.004 -5.566
126 HD2 TYR 15 2HD TYR 15 -0.117 -1.309 -2.957
127 HE1 TYR 15 1HE TYR 15 -0.652 0.784 -7.367
128 HE2 TYR 15 2HE TYR 15 -1.204 -2.550 -4.763
129 HH TYR 15 HH TYR 15 -1.031 -1.608 -7.972
130 H LYS 16 H LYS 16 3.483 1.349 -1.302
131 HA LYS 16 HA LYS 16 2.961 3.585 0.329
132 HB2 LYS 16 2HB LYS 16 5.189 1.563 0.424
133 HB3 LYS 16 1HB LYS 16 4.964 2.787 1.656
134 HG2 LYS 16 2HG LYS 16 2.719 1.853 2.117
135 HG3 LYS 16 1HG LYS 16 3.016 0.610 0.907
136 HD2 LYS 16 2HD LYS 16 3.469 -0.422 2.977
137 HD3 LYS 16 1HD LYS 16 5.044 -0.051 2.297
138 HE2 LYS 16 2HE LYS 16 3.625 1.629 4.381
139 HE3 LYS 16 1HE LYS 16 4.833 0.413 4.747
140 HZ1 LYS 16 1HZ LYS 16 5.258 2.980 3.283
141 HZ2 LYS 16 2HZ LYS 16 6.430 1.781 3.411
142 HZ3 LYS 16 3HZ LYS 16 5.839 2.530 4.793
143 H GLU 17 H GLU 17 5.775 2.776 -1.634
144 HA GLU 17 HA GLU 17 7.198 5.132 -1.046
145 HB2 GLU 17 2HB GLU 17 8.242 3.059 -1.874
146 HB3 GLU 17 1HB GLU 17 7.437 3.273 -3.419
147 HG2 GLU 17 2HG GLU 17 8.720 5.256 -3.864
148 HG3 GLU 17 1HG GLU 17 9.426 5.195 -2.252
149 H GLU 18 H GLU 18 4.696 4.402 -3.325
150 HA GLU 18 HA GLU 18 5.155 6.720 -4.961
151 HB2 GLU 18 2HB GLU 18 4.126 4.642 -5.851
152 HB3 GLU 18 1HB GLU 18 2.727 4.935 -4.832
153 HG2 GLU 18 2HG GLU 18 2.210 5.645 -7.051
154 HG3 GLU 18 1HG GLU 18 2.365 7.075 -6.032
155 H TYR 19 H TYR 19 2.506 5.831 -2.719
156 HA TYR 19 HA TYR 19 1.462 8.509 -3.122
157 HB2 TYR 19 2HB TYR 19 0.228 6.134 -1.786
158 HB3 TYR 19 1HB TYR 19 -0.579 7.679 -2.023
159 HD1 TYR 19 1HD TYR 19 0.033 4.467 -3.365
160 HD2 TYR 19 2HD TYR 19 -0.733 8.492 -4.505
161 HE1 TYR 19 1HE TYR 19 -0.724 3.695 -5.569
162 HE2 TYR 19 2HE TYR 19 -1.486 7.737 -6.701
163 HH TYR 19 HH TYR 19 -1.133 5.745 -8.182
164 H DSG 20 H DAS 20 3.213 6.935 -0.621
165 HA DSG 20 HA DAS 20 2.882 9.344 0.951
166 HB2 DSG 20 1HB DAS 20 4.615 6.926 1.506
167 HB3 DSG 20 2HB DAS 20 4.559 8.357 2.524
168 HD21 DSG 20 1HD2 DAS 20 5.696 7.005 -0.395
169 HD22 DSG 20 2HD2 DAS 20 6.692 8.338 -0.875
170 H CYS 21 H CYS 21 0.807 9.281 1.645
171 HA CYS 21 HA CYS 21 0.431 7.686 4.013
172 HB2 CYS 21 2HB CYS 21 -0.251 10.036 4.098
173 HB3 CYS 21 1HB CYS 21 -1.372 9.770 2.769
174 H VAL 22 H VAL 22 0.202 5.638 3.322
175 HA VAL 22 HA VAL 22 -2.438 5.009 2.354
176 HB VAL 22 HB VAL 22 -1.547 3.124 0.953
177 HG11 VAL 22 1HG1 VAL 22 -0.721 5.858 0.042
178 HG12 VAL 22 2HG1 VAL 22 -2.319 5.142 -0.125
179 HG13 VAL 22 3HG1 VAL 22 -0.948 4.456 -1.004
180 HG21 VAL 22 1HG2 VAL 22 1.097 4.537 1.259
181 HG22 VAL 22 2HG2 VAL 22 0.756 3.213 0.140
182 HG23 VAL 22 3HG2 VAL 22 0.687 2.936 1.884
183 H ARG 23 H ARG 23 -3.183 3.105 3.162
184 HA ARG 23 HA ARG 23 -1.500 2.023 5.270
185 HB2 ARG 23 2HB ARG 23 -4.482 2.407 5.190
186 HB3 ARG 23 1HB ARG 23 -3.701 1.358 6.365
187 HG2 ARG 23 2HG ARG 23 -2.415 3.228 7.221
188 HG3 ARG 23 1HG ARG 23 -3.131 4.294 6.014
189 HD2 ARG 23 2HD ARG 23 -4.707 2.771 8.056
190 HD3 ARG 23 1HD ARG 23 -4.159 4.429 8.307
191 HE ARG 23 HE ARG 23 -5.415 4.805 6.121
192 HH11 ARG 23 1HH1 ARG 23 -6.442 2.555 8.662
193 HH12 ARG 23 2HH1 ARG 23 -8.096 2.715 8.310
194 HH21 ARG 23 1HH2 ARG 23 -7.718 5.049 5.703
195 HH22 ARG 23 2HH2 ARG 23 -8.842 4.176 6.622
196 H CYS 24 H CYS 24 -0.585 0.453 4.273
197 HA CYS 24 HA CYS 24 -2.194 -1.517 2.821
198 HB2 CYS 24 2HB CYS 24 -0.237 -0.441 1.659
199 HB3 CYS 24 1HB CYS 24 0.810 -1.110 2.898
200 H THR 25 H THR 25 -1.333 -3.829 3.229
201 HA THR 25 HA THR 25 -0.750 -4.014 6.054
202 HB THR 25 HB THR 25 -2.875 -5.044 5.625
203 HG1 THR 25 1HG THR 25 -0.760 -6.627 6.394
204 HG21 THR 25 1HG2 THR 25 -3.169 -6.948 4.074
205 HG22 THR 25 2HG2 THR 25 -1.511 -6.735 3.535
206 HG23 THR 25 3HG2 THR 25 -2.703 -5.467 3.232
207 H GLU 26 H GLU 26 1.329 -3.959 6.156
208 HA GLU 26 HA GLU 26 2.758 -6.252 5.161
209 HB2 GLU 26 2HB GLU 26 3.141 -4.426 3.512
210 HB3 GLU 26 1HB GLU 26 3.677 -3.369 4.798
211 HG2 GLU 26 2HG GLU 26 5.554 -4.236 3.536
212 HG3 GLU 26 1HG GLU 26 5.595 -4.829 5.195