NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
520176 |
2lde   |
17661 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 HT1 CYS 1 4.184 8.452 -4.986
2 H2 CYS 1 HT2 CYS 1 2.620 8.031 -4.484
3 H3 CYS 1 HT3 CYS 1 3.233 7.423 -5.940
4 HA CYS 1 HA CYS 1 4.245 6.807 -3.229
5 HB2 CYS 1 HB2 CYS 1 2.094 5.738 -3.736
6 HB3 CYS 1 HB1 CYS 1 2.748 5.114 -5.247
7 H SER 2 HN SER 2 6.382 6.563 -3.294
8 HA SER 2 HA SER 2 7.548 5.252 -5.668
9 HB2 SER 2 HB2 SER 2 8.806 7.476 -4.041
10 HB3 SER 2 HB1 SER 2 9.521 6.680 -5.441
11 HG SER 2 HG SER 2 8.522 8.706 -5.938
12 H CYS 3 HN CYS 3 8.125 3.257 -4.999
13 HA CYS 3 HA CYS 3 9.762 3.114 -2.565
14 HB2 CYS 3 HB2 CYS 3 8.918 0.730 -2.383
15 HB3 CYS 3 HB1 CYS 3 7.761 1.993 -1.998
16 H THR 4 HN THR 4 11.690 3.274 -3.599
17 HA THR 4 HA THR 4 12.441 0.958 -5.213
18 HB THR 4 HB THR 4 12.142 2.823 -6.769
19 HG1 THR 4 HG1 THR 4 14.301 2.752 -7.656
20 HG21 THR 4 HG21 THR 4 13.607 4.777 -6.669
21 HG22 THR 4 HG22 THR 4 14.291 4.187 -5.153
22 HG23 THR 4 HG23 THR 4 12.596 4.663 -5.229
23 H ASP 5 HN ASP 5 13.276 3.401 -2.993
24 HA ASP 5 HA ASP 5 15.760 2.105 -2.198
25 HB2 ASP 5 HB2 ASP 5 15.946 3.934 -0.595
26 HB3 ASP 5 HB1 ASP 5 15.548 4.604 -2.174
27 H MET 6 HN MET 6 13.228 0.761 -2.169
28 HA MET 6 HA MET 6 12.804 0.139 0.630
29 HB2 MET 6 HB2 MET 6 11.350 2.046 0.331
30 HB3 MET 6 HB1 MET 6 10.726 1.393 -1.175
31 HG2 MET 6 HG2 MET 6 9.608 -0.382 0.015
32 HG3 MET 6 HG1 MET 6 10.315 0.169 1.526
33 HE1 MET 6 HE1 MET 6 8.502 3.550 2.176
34 HE2 MET 6 HE2 MET 6 10.076 3.312 1.413
35 HE3 MET 6 HE3 MET 6 9.617 2.337 2.808
36 H SER 7 HN SER 7 11.698 -1.872 0.903
37 HA SER 7 HA SER 7 12.044 -3.662 -1.291
38 HB2 SER 7 HB2 SER 7 11.374 -5.378 0.369
39 HB3 SER 7 HB1 SER 7 12.664 -4.341 0.977
40 HG SER 7 HG SER 7 11.389 -3.932 2.589
41 H ASP 8 HN ASP 8 10.143 -5.453 -1.066
42 HA ASP 8 HA ASP 8 7.931 -4.195 -2.411
43 HB2 ASP 8 HB2 ASP 8 7.113 -6.466 -2.825
44 HB3 ASP 8 HB1 ASP 8 8.819 -6.334 -3.238
45 H LEU 9 HN LEU 9 8.362 -6.092 0.545
46 HA LEU 9 HA LEU 9 5.677 -6.021 1.380
47 HB2 LEU 9 HB2 LEU 9 7.361 -7.590 2.269
48 HB3 LEU 9 HB1 LEU 9 8.178 -6.254 3.056
49 HG LEU 9 HG LEU 9 6.174 -5.869 4.451
50 HD11 LEU 9 HD11 LEU 9 4.397 -7.546 4.497
51 HD12 LEU 9 HD12 LEU 9 5.142 -8.372 3.127
52 HD13 LEU 9 HD13 LEU 9 4.491 -6.745 2.930
53 HD21 LEU 9 HD21 LEU 9 7.958 -7.234 5.329
54 HD22 LEU 9 HD22 LEU 9 7.307 -8.660 4.526
55 HD23 LEU 9 HD23 LEU 9 6.405 -7.899 5.835
56 H GLU 10 HN GLU 10 8.452 -3.959 2.154
57 HA GLU 10 HA GLU 10 7.103 -2.294 3.980
58 HB2 GLU 10 HB2 GLU 10 9.576 -2.470 3.745
59 HB3 GLU 10 HB1 GLU 10 9.461 -1.580 2.235
60 HG2 GLU 10 HG2 GLU 10 10.135 -0.093 3.979
61 HG3 GLU 10 HG1 GLU 10 8.502 0.326 3.468
62 H CYS 11 HN CYS 11 7.477 -2.165 0.480
63 HA CYS 11 HA CYS 11 6.333 0.392 0.106
64 HB2 CYS 11 HB2 CYS 11 7.604 -0.750 -1.665
65 HB3 CYS 11 HB1 CYS 11 6.341 -1.975 -1.787
66 H MET 12 HN MET 12 4.927 -2.878 0.035
67 HA MET 12 HA MET 12 2.299 -2.082 -0.539
68 HB2 MET 12 HB2 MET 12 3.265 -4.495 1.005
69 HB3 MET 12 HB1 MET 12 1.621 -4.270 0.424
70 HG2 MET 12 HG2 MET 12 2.571 -4.113 -1.895
71 HG3 MET 12 HG1 MET 12 4.116 -4.610 -1.210
72 HE1 MET 12 HE1 MET 12 4.507 -6.986 -0.020
73 HE2 MET 12 HE2 MET 12 3.230 -8.184 0.193
74 HE3 MET 12 HE3 MET 12 3.154 -6.651 1.061
75 H ASN 13 HN ASN 13 4.091 -2.203 2.460
76 HA ASN 13 HA ASN 13 1.966 -1.932 4.255
77 HB2 ASN 13 HB2 ASN 13 4.833 -1.006 4.421
78 HB3 ASN 13 HB1 ASN 13 3.694 -0.811 5.748
79 HD21 ASN 13 HD21 ASN 13 6.153 -2.339 5.610
80 HD22 ASN 13 HD22 ASN 13 5.722 -3.976 5.998
81 H PHE 14 HN PHE 14 4.105 0.700 3.083
82 HA PHE 14 HA PHE 14 2.398 2.640 4.332
83 HB2 PHE 14 HB2 PHE 14 4.049 4.193 3.910
84 HB3 PHE 14 HB1 PHE 14 4.994 2.711 3.875
85 HD1 PHE 14 HD2 PHE 14 5.440 1.665 1.562
86 HD2 PHE 14 HD1 PHE 14 4.081 5.658 2.124
87 HE1 PHE 14 HE2 PHE 14 6.232 2.254 -0.692
88 HE2 PHE 14 HE1 PHE 14 4.872 6.250 -0.126
89 HZ PHE 14 HZ PHE 14 5.950 4.547 -1.540
90 H CYS 15 HN CYS 15 2.595 1.262 1.161
91 HA CYS 15 HA CYS 15 1.252 3.558 -0.048
92 HB2 CYS 15 HB2 CYS 15 3.267 2.361 -1.057
93 HB3 CYS 15 HB1 CYS 15 2.160 1.058 -1.456
94 H HIS 16 HN HIS 16 0.517 0.408 1.126
95 HA HIS 16 HA HIS 16 -2.084 0.517 -0.262
96 HB2 HIS 16 HB2 HIS 16 -0.431 -1.869 0.575
97 HB3 HIS 16 HB1 HIS 16 -2.140 -2.004 0.178
98 HD1 HIS 16 HD1 HIS 16 -1.963 -3.331 -1.961
99 HD2 HIS 16 HD2 HIS 16 0.456 0.057 -1.968
100 HE1 HIS 16 HE1 HIS 16 -1.094 -3.119 -4.308
101 HE2 HIS 16 HE2 HIS 16 0.301 -1.021 -4.317
102 H LYS 17 HN LYS 17 -1.170 1.664 2.387
103 HA LYS 17 HA LYS 17 -2.857 0.149 4.226
104 HB2 LYS 17 HB2 LYS 17 -2.095 1.744 5.950
105 HB3 LYS 17 HB1 LYS 17 -0.760 0.918 5.162
106 HG2 LYS 17 HG2 LYS 17 -0.077 2.821 4.035
107 HG3 LYS 17 HG1 LYS 17 -1.652 3.602 4.193
108 HD2 LYS 17 HD2 LYS 17 0.128 3.006 6.547
109 HD3 LYS 17 HD1 LYS 17 0.201 4.526 5.651
110 HE2 LYS 17 HE2 LYS 17 -2.311 3.441 6.923
111 HE3 LYS 17 HE1 LYS 17 -1.227 4.585 7.713
112 HZ1 LYS 17 HZ1 LYS 17 -3.113 5.679 6.635
113 HZ2 LYS 17 HZ2 LYS 17 -2.622 5.076 5.128
114 HZ3 LYS 17 HZ3 LYS 17 -1.635 6.173 5.969
115 H ASP 18 HN ASP 18 -3.591 2.013 1.898
116 HA ASP 18 HA ASP 18 -5.827 3.231 3.343
117 HB2 ASP 18 HB2 ASP 18 -4.150 4.578 1.227
118 HB3 ASP 18 HB1 ASP 18 -5.682 5.182 1.815
119 H VAL 19 HN VAL 19 -5.224 0.858 1.492
120 HA VAL 19 HA VAL 19 -6.740 1.309 -0.867
121 HB VAL 19 HB VAL 19 -6.913 -1.218 -0.937
122 HG11 VAL 19 HG11 VAL 19 -4.530 -1.520 -1.463
123 HG12 VAL 19 HG12 VAL 19 -4.177 0.027 -0.693
124 HG13 VAL 19 HG13 VAL 19 -5.183 -0.029 -2.142
125 HG21 VAL 19 HG21 VAL 19 -5.139 -0.974 1.489
126 HG22 VAL 19 HG22 VAL 19 -5.432 -2.462 0.585
127 HG23 VAL 19 HG23 VAL 19 -6.757 -1.671 1.440
128 H ILE 20 HN ILE 20 -8.859 0.960 -1.293
129 HA ILE 20 HA ILE 20 -10.537 1.031 1.095
130 HB ILE 20 HB ILE 20 -10.541 2.669 -1.019
131 HG12 ILE 20 HG12 ILE 20 -12.859 3.303 -0.352
132 HG13 ILE 20 HG11 ILE 20 -12.958 1.814 0.583
133 HG21 ILE 20 HG21 ILE 20 -11.165 0.970 -2.632
134 HG22 ILE 20 HG22 ILE 20 -12.452 2.169 -2.480
135 HG23 ILE 20 HG23 ILE 20 -12.617 0.593 -1.704
136 HD11 ILE 20 HD11 ILE 20 -10.987 4.041 1.043
137 HD12 ILE 20 HD12 ILE 20 -11.119 2.559 1.988
138 HD13 ILE 20 HD13 ILE 20 -12.441 3.729 1.996
139 H TRP 21 HN TRP 21 -9.610 -1.155 -1.301
140 HA TRP 21 HA TRP 21 -12.145 -2.499 -1.521
141 HB2 TRP 21 HB2 TRP 21 -10.817 -4.130 -2.939
142 HB3 TRP 21 HB1 TRP 21 -10.875 -2.474 -3.521
143 HD1 TRP 21 HD1 TRP 21 -8.612 -1.278 -3.920
144 HE1 TRP 21 HE1 TRP 21 -6.138 -1.950 -3.638
145 HE3 TRP 21 HE3 TRP 21 -9.250 -5.604 -1.288
146 HZ2 TRP 21 HZ2 TRP 21 -4.669 -4.040 -2.449
147 HZ3 TRP 21 HZ3 TRP 21 -7.262 -6.888 -0.613
148 HH2 TRP 21 HH2 TRP 21 -5.014 -6.117 -1.184
149 H VAL 22 HN VAL 22 -10.718 -2.352 1.068
150 HA VAL 22 HA VAL 22 -10.062 -5.134 1.624
151 HB VAL 22 HB VAL 22 -9.533 -4.336 3.923
152 HG11 VAL 22 HG11 VAL 22 -8.177 -2.884 1.659
153 HG12 VAL 22 HG12 VAL 22 -7.789 -4.497 2.260
154 HG13 VAL 22 HG13 VAL 22 -7.515 -3.085 3.281
155 HG21 VAL 22 HG21 VAL 22 -11.058 -2.435 4.016
156 HG22 VAL 22 HG22 VAL 22 -10.127 -1.613 2.763
157 HG23 VAL 22 HG23 VAL 22 -9.400 -1.926 4.340
158 H ASN 23 HN ASN 23 -12.782 -4.004 1.045
159 HA ASN 23 HA ASN 23 -14.186 -5.539 3.061
160 HB2 ASN 23 HB2 ASN 23 -14.279 -3.319 4.041
161 HB3 ASN 23 HB1 ASN 23 -14.822 -2.635 2.510
162 HD21 ASN 23 HD21 ASN 23 -15.722 -4.448 5.329
163 HD22 ASN 23 HD22 ASN 23 -17.434 -4.419 5.049
164 H ARG 24 HN ARG 24 -14.724 -3.312 0.380
165 HA ARG 24 HA ARG 24 -16.391 -5.360 -0.922
166 HB2 ARG 24 HB2 ARG 24 -17.764 -3.461 -0.493
167 HB3 ARG 24 HB1 ARG 24 -16.515 -2.347 -1.034
168 HG2 ARG 24 HG2 ARG 24 -16.757 -3.351 -3.322
169 HG3 ARG 24 HG1 ARG 24 -18.177 -4.201 -2.715
170 HD2 ARG 24 HD2 ARG 24 -19.326 -2.174 -2.304
171 HD3 ARG 24 HD1 ARG 24 -17.860 -1.219 -2.532
172 HE ARG 24 HE ARG 24 -18.650 -2.757 -4.842
173 HH11 ARG 24 HH11 ARG 24 -18.943 0.293 -3.145
174 HH12 ARG 24 HH12 ARG 24 -19.450 1.171 -4.558
175 HH21 ARG 24 HH21 ARG 24 -19.255 -1.591 -6.705
176 HH22 ARG 24 HH22 ARG 24 -19.589 0.109 -6.590
177 H ASN 25 HN ASN 25 -15.746 -6.113 -2.843
178 HA ASN 25 HA ASN 25 -14.290 -4.428 -4.666
179 HB2 ASN 25 HB2 ASN 25 -12.443 -5.454 -3.364
180 HB3 ASN 25 HB1 ASN 25 -13.049 -7.051 -3.797
181 HD21 ASN 25 HD21 ASN 25 -11.101 -7.571 -4.855
182 HD22 ASN 25 HD22 ASN 25 -10.698 -6.890 -6.395
Start of MODEL 2
1 H1 CYS 1 HT1 CYS 1 2.619 2.549 -6.892
2 H2 CYS 1 HT2 CYS 1 2.324 4.187 -6.560
3 H3 CYS 1 HT3 CYS 1 1.284 2.999 -5.948
4 HA CYS 1 HA CYS 1 2.755 3.867 -4.246
5 HB2 CYS 1 HB2 CYS 1 3.341 1.009 -5.044
6 HB3 CYS 1 HB1 CYS 1 3.602 1.698 -3.446
7 H SER 2 HN SER 2 4.512 5.087 -4.154
8 HA SER 2 HA SER 2 6.790 4.496 -5.890
9 HB2 SER 2 HB2 SER 2 6.314 6.867 -4.062
10 HB3 SER 2 HB1 SER 2 7.612 6.710 -5.246
11 HG SER 2 HG SER 2 5.765 6.427 -6.805
12 H CYS 3 HN CYS 3 8.128 3.003 -5.048
13 HA CYS 3 HA CYS 3 8.600 2.978 -2.160
14 HB2 CYS 3 HB2 CYS 3 9.812 0.942 -3.964
15 HB3 CYS 3 HB1 CYS 3 9.111 0.748 -2.358
16 H THR 4 HN THR 4 9.972 4.800 -2.037
17 HA THR 4 HA THR 4 12.248 5.132 -3.700
18 HB THR 4 HB THR 4 11.773 6.367 -1.014
19 HG1 THR 4 HG1 THR 4 10.835 7.096 -3.610
20 HG21 THR 4 HG21 THR 4 13.326 7.344 -3.408
21 HG22 THR 4 HG22 THR 4 14.032 6.677 -1.936
22 HG23 THR 4 HG23 THR 4 13.138 8.196 -1.874
23 H ASP 5 HN ASP 5 13.587 3.418 -3.685
24 HA ASP 5 HA ASP 5 14.982 1.769 -2.971
25 HB2 ASP 5 HB2 ASP 5 16.276 3.939 -2.526
26 HB3 ASP 5 HB1 ASP 5 15.865 3.708 -0.828
27 H MET 6 HN MET 6 12.664 1.096 -2.180
28 HA MET 6 HA MET 6 12.761 0.522 0.705
29 HB2 MET 6 HB2 MET 6 11.081 2.195 0.310
30 HB3 MET 6 HB1 MET 6 10.425 1.295 -1.047
31 HG2 MET 6 HG2 MET 6 9.653 -0.439 0.454
32 HG3 MET 6 HG1 MET 6 10.341 0.422 1.823
33 HE1 MET 6 HE1 MET 6 8.107 3.610 2.030
34 HE2 MET 6 HE2 MET 6 9.671 3.447 1.225
35 HE3 MET 6 HE3 MET 6 9.398 2.678 2.792
36 H SER 7 HN SER 7 11.988 -1.523 1.346
37 HA SER 7 HA SER 7 12.294 -3.659 -0.392
38 HB2 SER 7 HB2 SER 7 10.715 -3.674 2.187
39 HB3 SER 7 HB1 SER 7 11.594 -5.014 1.448
40 HG SER 7 HG SER 7 12.621 -3.792 3.270
41 H ASP 8 HN ASP 8 10.926 -4.684 -1.611
42 HA ASP 8 HA ASP 8 8.692 -3.390 -2.653
43 HB2 ASP 8 HB2 ASP 8 8.354 -5.258 -4.046
44 HB3 ASP 8 HB1 ASP 8 10.085 -5.229 -3.739
45 H LEU 9 HN LEU 9 8.839 -5.945 -0.209
46 HA LEU 9 HA LEU 9 6.006 -6.203 0.054
47 HB2 LEU 9 HB2 LEU 9 7.601 -7.953 0.755
48 HB3 LEU 9 HB1 LEU 9 8.191 -6.897 2.022
49 HG LEU 9 HG LEU 9 5.940 -6.933 3.065
50 HD11 LEU 9 HD11 LEU 9 4.313 -8.575 2.336
51 HD12 LEU 9 HD12 LEU 9 5.352 -9.039 0.990
52 HD13 LEU 9 HD13 LEU 9 4.647 -7.423 1.046
53 HD21 LEU 9 HD21 LEU 9 7.214 -9.626 2.605
54 HD22 LEU 9 HD22 LEU 9 6.106 -9.218 3.918
55 HD23 LEU 9 HD23 LEU 9 7.688 -8.440 3.825
56 H GLU 10 HN GLU 10 8.486 -4.306 1.662
57 HA GLU 10 HA GLU 10 6.920 -3.176 3.709
58 HB2 GLU 10 HB2 GLU 10 9.448 -3.080 3.465
59 HB3 GLU 10 HB1 GLU 10 9.202 -1.834 2.253
60 HG2 GLU 10 HG2 GLU 10 8.124 -0.413 3.921
61 HG3 GLU 10 HG1 GLU 10 8.370 -1.662 5.141
62 H CYS 11 HN CYS 11 7.532 -2.246 0.382
63 HA CYS 11 HA CYS 11 6.239 0.245 0.377
64 HB2 CYS 11 HB2 CYS 11 7.806 -0.615 -1.373
65 HB3 CYS 11 HB1 CYS 11 6.530 -1.691 -1.930
66 H MET 12 HN MET 12 5.052 -3.006 -0.426
67 HA MET 12 HA MET 12 2.435 -2.159 -1.114
68 HB2 MET 12 HB2 MET 12 3.455 -4.863 -0.233
69 HB3 MET 12 HB1 MET 12 1.833 -4.566 -0.844
70 HG2 MET 12 HG2 MET 12 2.860 -3.729 -2.954
71 HG3 MET 12 HG1 MET 12 4.428 -4.244 -2.332
72 HE1 MET 12 HE1 MET 12 3.811 -6.917 -0.831
73 HE2 MET 12 HE2 MET 12 5.144 -6.751 -1.971
74 HE3 MET 12 HE3 MET 12 4.030 -8.112 -2.107
75 H ASN 13 HN ASN 13 3.999 -2.761 1.909
76 HA ASN 13 HA ASN 13 1.560 -2.985 3.397
77 HB2 ASN 13 HB2 ASN 13 4.452 -2.808 4.060
78 HB3 ASN 13 HB1 ASN 13 3.310 -2.304 5.303
79 HD21 ASN 13 HD21 ASN 13 4.422 -4.976 3.350
80 HD22 ASN 13 HD22 ASN 13 3.684 -6.226 4.302
81 H PHE 14 HN PHE 14 3.987 -0.373 3.052
82 HA PHE 14 HA PHE 14 2.474 1.397 4.686
83 HB2 PHE 14 HB2 PHE 14 4.287 2.739 4.620
84 HB3 PHE 14 HB1 PHE 14 5.069 1.346 3.889
85 HD1 PHE 14 HD2 PHE 14 5.287 1.240 1.393
86 HD2 PHE 14 HD1 PHE 14 4.025 4.760 3.427
87 HE1 PHE 14 HE2 PHE 14 5.842 2.584 -0.593
88 HE2 PHE 14 HE1 PHE 14 4.578 6.107 1.443
89 HZ PHE 14 HZ PHE 14 5.443 5.035 -0.571
90 H CYS 15 HN CYS 15 2.599 0.843 1.221
91 HA CYS 15 HA CYS 15 1.232 3.303 0.602
92 HB2 CYS 15 HB2 CYS 15 2.799 2.451 -1.006
93 HB3 CYS 15 HB1 CYS 15 1.961 0.905 -1.082
94 H HIS 16 HN HIS 16 0.346 -0.120 0.806
95 HA HIS 16 HA HIS 16 -2.230 0.316 -0.381
96 HB2 HIS 16 HB2 HIS 16 -0.945 -2.066 0.936
97 HB3 HIS 16 HB1 HIS 16 -2.627 -2.089 0.413
98 HD1 HIS 16 HD1 HIS 16 -2.039 -3.978 -1.277
99 HD2 HIS 16 HD2 HIS 16 -0.053 -0.379 -1.946
100 HE1 HIS 16 HE1 HIS 16 -1.019 -4.178 -3.569
101 HE2 HIS 16 HE2 HIS 16 0.292 -2.049 -3.900
102 H LYS 17 HN LYS 17 -1.031 0.784 2.758
103 HA LYS 17 HA LYS 17 -3.534 0.131 4.053
104 HB2 LYS 17 HB2 LYS 17 -2.445 0.702 6.149
105 HB3 LYS 17 HB1 LYS 17 -1.427 -0.390 5.221
106 HG2 LYS 17 HG2 LYS 17 -0.035 1.456 4.512
107 HG3 LYS 17 HG1 LYS 17 -1.089 2.598 5.347
108 HD2 LYS 17 HD2 LYS 17 -0.535 1.549 7.486
109 HD3 LYS 17 HD1 LYS 17 0.503 0.391 6.652
110 HE2 LYS 17 HE2 LYS 17 1.831 2.173 7.624
111 HE3 LYS 17 HE1 LYS 17 1.914 2.237 5.865
112 HZ1 LYS 17 HZ1 LYS 17 0.274 4.023 5.893
113 HZ2 LYS 17 HZ2 LYS 17 1.637 4.434 6.812
114 HZ3 LYS 17 HZ3 LYS 17 0.212 3.959 7.589
115 H ASP 18 HN ASP 18 -2.565 2.622 2.299
116 HA ASP 18 HA ASP 18 -4.351 4.446 3.735
117 HB2 ASP 18 HB2 ASP 18 -1.704 5.263 2.551
118 HB3 ASP 18 HB1 ASP 18 -2.876 6.314 3.304
119 H VAL 19 HN VAL 19 -4.231 2.757 1.125
120 HA VAL 19 HA VAL 19 -4.296 4.638 -0.993
121 HB VAL 19 HB VAL 19 -5.514 2.833 -2.272
122 HG11 VAL 19 HG11 VAL 19 -3.534 1.392 -2.423
123 HG12 VAL 19 HG12 VAL 19 -2.897 2.142 -0.958
124 HG13 VAL 19 HG13 VAL 19 -3.122 3.108 -2.417
125 HG21 VAL 19 HG21 VAL 19 -4.986 1.249 0.233
126 HG22 VAL 19 HG22 VAL 19 -5.562 0.599 -1.301
127 HG23 VAL 19 HG23 VAL 19 -6.569 1.719 -0.382
128 H ILE 20 HN ILE 20 -5.746 6.092 -1.413
129 HA ILE 20 HA ILE 20 -8.302 6.038 -0.061
130 HB ILE 20 HB ILE 20 -6.675 8.072 -0.620
131 HG12 ILE 20 HG12 ILE 20 -8.596 9.571 -0.257
132 HG13 ILE 20 HG11 ILE 20 -9.693 8.239 -0.622
133 HG21 ILE 20 HG21 ILE 20 -7.520 9.400 -2.490
134 HG22 ILE 20 HG22 ILE 20 -8.604 8.080 -2.935
135 HG23 ILE 20 HG23 ILE 20 -6.858 7.857 -3.038
136 HD11 ILE 20 HD11 ILE 20 -7.709 8.252 1.642
137 HD12 ILE 20 HD12 ILE 20 -8.931 7.023 1.309
138 HD13 ILE 20 HD13 ILE 20 -9.425 8.647 1.792
139 H TRP 21 HN TRP 21 -7.047 4.856 -2.880
140 HA TRP 21 HA TRP 21 -9.549 5.055 -4.380
141 HB2 TRP 21 HB2 TRP 21 -8.051 4.043 -6.219
142 HB3 TRP 21 HB1 TRP 21 -7.815 5.732 -5.775
143 HD1 TRP 21 HD1 TRP 21 -5.578 6.279 -4.270
144 HE1 TRP 21 HE1 TRP 21 -3.300 5.086 -4.221
145 HE3 TRP 21 HE3 TRP 21 -6.968 1.867 -6.352
146 HZ2 TRP 21 HZ2 TRP 21 -2.238 2.583 -4.968
147 HZ3 TRP 21 HZ3 TRP 21 -5.268 0.103 -6.658
148 HH2 TRP 21 HH2 TRP 21 -2.952 0.460 -5.975
149 H VAL 22 HN VAL 22 -9.060 3.345 -2.092
150 HA VAL 22 HA VAL 22 -8.633 0.688 -2.923
151 HB VAL 22 HB VAL 22 -8.308 1.248 -0.626
152 HG11 VAL 22 HG11 VAL 22 -10.105 1.948 0.858
153 HG12 VAL 22 HG12 VAL 22 -11.230 1.959 -0.503
154 HG13 VAL 22 HG13 VAL 22 -9.877 3.094 -0.465
155 HG21 VAL 22 HG21 VAL 22 -10.708 -0.545 -0.927
156 HG22 VAL 22 HG22 VAL 22 -9.678 -0.453 0.501
157 HG23 VAL 22 HG23 VAL 22 -9.013 -1.022 -1.031
158 H ASN 23 HN ASN 23 -9.815 -0.151 -4.442
159 HA ASN 23 HA ASN 23 -11.556 -1.576 -5.023
160 HB2 ASN 23 HB2 ASN 23 -13.325 0.261 -3.408
161 HB3 ASN 23 HB1 ASN 23 -13.917 -1.035 -4.429
162 HD21 ASN 23 HD21 ASN 23 -12.564 -0.186 -1.426
163 HD22 ASN 23 HD22 ASN 23 -12.550 -1.770 -0.722
164 H ARG 24 HN ARG 24 -13.132 -1.489 -6.655
165 HA ARG 24 HA ARG 24 -14.231 -0.728 -8.472
166 HB2 ARG 24 HB2 ARG 24 -15.044 1.117 -7.016
167 HB3 ARG 24 HB1 ARG 24 -13.652 2.067 -7.519
168 HG2 ARG 24 HG2 ARG 24 -14.507 1.650 -9.917
169 HG3 ARG 24 HG1 ARG 24 -16.026 1.212 -9.132
170 HD2 ARG 24 HD2 ARG 24 -16.179 3.509 -9.688
171 HD3 ARG 24 HD1 ARG 24 -15.923 3.426 -7.944
172 HE ARG 24 HE ARG 24 -13.535 3.767 -9.577
173 HH11 ARG 24 HH11 ARG 24 -15.987 5.255 -7.562
174 HH12 ARG 24 HH12 ARG 24 -15.095 6.733 -7.363
175 HH21 ARG 24 HH21 ARG 24 -12.366 5.713 -9.304
176 HH22 ARG 24 HH22 ARG 24 -13.049 6.991 -8.349
177 H ASN 25 HN ASN 25 -11.711 1.706 -7.981
178 HA ASN 25 HA ASN 25 -10.195 2.642 -9.394
179 HB2 ASN 25 HB2 ASN 25 -9.297 0.336 -9.621
180 HB3 ASN 25 HB1 ASN 25 -10.405 0.054 -10.958
181 HD21 ASN 25 HD21 ASN 25 -8.721 3.081 -10.376
182 HD22 ASN 25 HD22 ASN 25 -7.706 2.994 -11.780
Start of MODEL 3
1 H1 CYS 1 HT1 CYS 1 3.024 7.124 -6.147
2 H2 CYS 1 HT2 CYS 1 3.745 5.976 -7.167
3 H3 CYS 1 HT3 CYS 1 4.559 7.417 -6.807
4 HA CYS 1 HA CYS 1 4.714 6.789 -4.489
5 HB2 CYS 1 HB2 CYS 1 3.435 4.227 -5.469
6 HB3 CYS 1 HB1 CYS 1 4.176 4.425 -3.884
7 H SER 2 HN SER 2 6.832 7.030 -4.805
8 HA SER 2 HA SER 2 8.305 5.109 -6.424
9 HB2 SER 2 HB2 SER 2 9.215 7.600 -4.962
10 HB3 SER 2 HB1 SER 2 10.229 6.609 -6.013
11 HG SER 2 HG SER 2 8.996 7.187 -7.758
12 H CYS 3 HN CYS 3 8.761 3.265 -5.457
13 HA CYS 3 HA CYS 3 9.371 3.272 -2.595
14 HB2 CYS 3 HB2 CYS 3 8.716 0.908 -4.368
15 HB3 CYS 3 HB1 CYS 3 8.767 0.943 -2.609
16 H THR 4 HN THR 4 11.499 3.939 -2.705
17 HA THR 4 HA THR 4 13.358 2.469 -4.403
18 HB THR 4 HB THR 4 13.886 4.949 -2.798
19 HG1 THR 4 HG1 THR 4 12.703 4.576 -5.317
20 HG21 THR 4 HG21 THR 4 15.341 3.730 -5.141
21 HG22 THR 4 HG22 THR 4 15.890 3.715 -3.462
22 HG23 THR 4 HG23 THR 4 15.768 5.242 -4.340
23 H ASP 5 HN ASP 5 14.294 0.770 -3.518
24 HA ASP 5 HA ASP 5 15.351 -0.625 -2.057
25 HB2 ASP 5 HB2 ASP 5 15.971 2.005 -0.706
26 HB3 ASP 5 HB1 ASP 5 16.550 0.463 -0.082
27 H MET 6 HN MET 6 12.539 0.261 -1.752
28 HA MET 6 HA MET 6 12.017 -0.012 1.099
29 HB2 MET 6 HB2 MET 6 10.878 1.662 -0.480
30 HB3 MET 6 HB1 MET 6 9.999 0.290 -1.125
31 HG2 MET 6 HG2 MET 6 9.074 -0.140 1.074
32 HG3 MET 6 HG1 MET 6 9.964 1.229 1.724
33 HE1 MET 6 HE1 MET 6 9.723 3.278 -0.721
34 HE2 MET 6 HE2 MET 6 9.543 3.733 0.972
35 HE3 MET 6 HE3 MET 6 8.321 4.219 -0.204
36 H SER 7 HN SER 7 11.135 -1.844 2.005
37 HA SER 7 HA SER 7 11.620 -4.255 0.578
38 HB2 SER 7 HB2 SER 7 10.242 -3.979 3.250
39 HB3 SER 7 HB1 SER 7 11.124 -5.374 2.634
40 HG SER 7 HG SER 7 13.027 -4.319 2.900
41 H ASP 8 HN ASP 8 10.146 -4.059 -1.160
42 HA ASP 8 HA ASP 8 8.161 -4.239 -2.310
43 HB2 ASP 8 HB2 ASP 8 9.195 -6.476 -2.078
44 HB3 ASP 8 HB1 ASP 8 8.148 -6.786 -0.693
45 H LEU 9 HN LEU 9 7.119 -5.883 0.636
46 HA LEU 9 HA LEU 9 4.420 -5.196 0.429
47 HB2 LEU 9 HB2 LEU 9 5.231 -6.989 1.882
48 HB3 LEU 9 HB1 LEU 9 6.043 -5.819 2.902
49 HG LEU 9 HG LEU 9 3.813 -4.857 3.479
50 HD11 LEU 9 HD11 LEU 9 2.561 -5.611 1.531
51 HD12 LEU 9 HD12 LEU 9 1.819 -6.188 3.022
52 HD13 LEU 9 HD13 LEU 9 2.777 -7.289 2.032
53 HD21 LEU 9 HD21 LEU 9 4.958 -6.460 4.940
54 HD22 LEU 9 HD22 LEU 9 4.166 -7.788 4.091
55 HD23 LEU 9 HD23 LEU 9 3.206 -6.637 5.019
56 H GLU 10 HN GLU 10 7.098 -3.556 1.996
57 HA GLU 10 HA GLU 10 5.756 -1.564 3.371
58 HB2 GLU 10 HB2 GLU 10 8.458 -1.757 2.072
59 HB3 GLU 10 HB1 GLU 10 7.969 -0.378 3.016
60 HG2 GLU 10 HG2 GLU 10 8.077 -3.201 4.014
61 HG3 GLU 10 HG1 GLU 10 9.297 -1.963 4.312
62 H CYS 11 HN CYS 11 6.648 -1.851 -0.010
63 HA CYS 11 HA CYS 11 6.233 0.800 -0.835
64 HB2 CYS 11 HB2 CYS 11 7.321 -0.915 -2.245
65 HB3 CYS 11 HB1 CYS 11 5.791 -1.775 -2.378
66 H MET 12 HN MET 12 4.054 -1.975 -0.659
67 HA MET 12 HA MET 12 1.790 -0.530 -1.635
68 HB2 MET 12 HB2 MET 12 1.978 -3.191 -0.213
69 HB3 MET 12 HB1 MET 12 0.521 -2.553 -0.964
70 HG2 MET 12 HG2 MET 12 1.609 -2.568 -3.135
71 HG3 MET 12 HG1 MET 12 3.093 -3.167 -2.403
72 HE1 MET 12 HE1 MET 12 2.264 -5.298 -0.370
73 HE2 MET 12 HE2 MET 12 3.482 -5.613 -1.602
74 HE3 MET 12 HE3 MET 12 2.178 -6.768 -1.335
75 H ASN 13 HN ASN 13 3.112 -1.336 1.502
76 HA ASN 13 HA ASN 13 0.936 -0.609 3.106
77 HB2 ASN 13 HB2 ASN 13 3.909 -0.605 3.618
78 HB3 ASN 13 HB1 ASN 13 2.759 -0.101 4.851
79 HD21 ASN 13 HD21 ASN 13 4.598 -2.328 4.922
80 HD22 ASN 13 HD22 ASN 13 3.629 -3.751 5.108
81 H PHE 14 HN PHE 14 3.776 1.362 2.163
82 HA PHE 14 HA PHE 14 2.763 3.675 3.473
83 HB2 PHE 14 HB2 PHE 14 4.823 4.491 3.124
84 HB3 PHE 14 HB1 PHE 14 5.216 2.922 2.444
85 HD1 PHE 14 HD2 PHE 14 5.282 2.613 -0.001
86 HD2 PHE 14 HD1 PHE 14 4.631 6.433 1.758
87 HE1 PHE 14 HE2 PHE 14 5.832 3.689 -2.143
88 HE2 PHE 14 HE1 PHE 14 5.178 7.515 -0.383
89 HZ PHE 14 HZ PHE 14 5.777 6.143 -2.335
90 H CYS 15 HN CYS 15 2.628 2.510 0.153
91 HA CYS 15 HA CYS 15 1.727 4.960 -0.966
92 HB2 CYS 15 HB2 CYS 15 2.840 3.189 -2.283
93 HB3 CYS 15 HB1 CYS 15 1.444 2.149 -2.044
94 H HIS 16 HN HIS 16 0.020 1.989 0.000
95 HA HIS 16 HA HIS 16 -2.509 3.284 -0.682
96 HB2 HIS 16 HB2 HIS 16 -1.639 0.457 -0.356
97 HB3 HIS 16 HB1 HIS 16 -3.321 0.845 -0.019
98 HD1 HIS 16 HD1 HIS 16 -4.843 1.318 -1.979
99 HD2 HIS 16 HD2 HIS 16 -0.860 0.853 -3.073
100 HE1 HIS 16 HE1 HIS 16 -4.842 1.190 -4.496
101 HE2 HIS 16 HE2 HIS 16 -2.411 1.016 -5.139
102 H LYS 17 HN LYS 17 -1.020 1.531 2.026
103 HA LYS 17 HA LYS 17 -1.580 1.326 4.206
104 HB2 LYS 17 HB2 LYS 17 -2.867 4.000 3.682
105 HB3 LYS 17 HB1 LYS 17 -2.832 3.260 5.275
106 HG2 LYS 17 HG2 LYS 17 -0.424 3.334 5.310
107 HG3 LYS 17 HG1 LYS 17 -0.385 3.925 3.648
108 HD2 LYS 17 HD2 LYS 17 -1.757 5.399 5.883
109 HD3 LYS 17 HD1 LYS 17 -0.064 5.664 5.457
110 HE2 LYS 17 HE2 LYS 17 -2.332 5.905 3.491
111 HE3 LYS 17 HE1 LYS 17 -1.721 7.265 4.428
112 HZ1 LYS 17 HZ1 LYS 17 -0.780 7.019 2.132
113 HZ2 LYS 17 HZ2 LYS 17 0.008 5.618 2.666
114 HZ3 LYS 17 HZ3 LYS 17 0.373 7.114 3.374
115 H ASP 18 HN ASP 18 -3.300 0.369 2.025
116 HA ASP 18 HA ASP 18 -5.809 0.024 3.501
117 HB2 ASP 18 HB2 ASP 18 -5.140 -0.747 0.666
118 HB3 ASP 18 HB1 ASP 18 -6.695 -0.913 1.439
119 H VAL 19 HN VAL 19 -2.970 -1.253 3.522
120 HA VAL 19 HA VAL 19 -3.540 -3.969 2.862
121 HB VAL 19 HB VAL 19 -1.169 -2.865 4.354
122 HG11 VAL 19 HG11 VAL 19 -1.675 -5.447 2.920
123 HG12 VAL 19 HG12 VAL 19 -1.505 -5.222 4.660
124 HG13 VAL 19 HG13 VAL 19 -0.122 -4.953 3.596
125 HG21 VAL 19 HG21 VAL 19 -0.019 -2.964 2.176
126 HG22 VAL 19 HG22 VAL 19 -1.367 -1.827 2.148
127 HG23 VAL 19 HG23 VAL 19 -1.537 -3.418 1.406
128 H ILE 20 HN ILE 20 -5.192 -4.616 4.127
129 HA ILE 20 HA ILE 20 -4.872 -4.647 7.018
130 HB ILE 20 HB ILE 20 -7.090 -4.595 5.324
131 HG12 ILE 20 HG12 ILE 20 -8.369 -4.710 7.451
132 HG13 ILE 20 HG11 ILE 20 -6.895 -5.221 8.272
133 HG21 ILE 20 HG21 ILE 20 -8.384 -6.591 5.867
134 HG22 ILE 20 HG22 ILE 20 -6.989 -7.279 6.699
135 HG23 ILE 20 HG23 ILE 20 -6.928 -7.001 4.958
136 HD11 ILE 20 HD11 ILE 20 -7.348 -2.831 8.569
137 HD12 ILE 20 HD12 ILE 20 -7.254 -2.606 6.820
138 HD13 ILE 20 HD13 ILE 20 -5.828 -3.118 7.722
139 H TRP 21 HN TRP 21 -4.301 -6.521 4.266
140 HA TRP 21 HA TRP 21 -4.253 -9.089 5.564
141 HB2 TRP 21 HB2 TRP 21 -3.272 -9.696 3.213
142 HB3 TRP 21 HB1 TRP 21 -4.970 -9.281 3.395
143 HD1 TRP 21 HD1 TRP 21 -5.798 -6.958 2.373
144 HE1 TRP 21 HE1 TRP 21 -4.771 -5.376 0.616
145 HE3 TRP 21 HE3 TRP 21 -1.052 -8.809 2.328
146 HZ2 TRP 21 HZ2 TRP 21 -2.274 -4.995 -0.633
147 HZ3 TRP 21 HZ3 TRP 21 0.602 -7.797 0.808
148 HH2 TRP 21 HH2 TRP 21 -0.002 -5.925 -0.642
149 H VAL 22 HN VAL 22 -2.515 -6.969 6.454
150 HA VAL 22 HA VAL 22 0.107 -8.220 6.073
151 HB VAL 22 HB VAL 22 -0.031 -5.777 5.653
152 HG11 VAL 22 HG11 VAL 22 -1.833 -5.261 7.192
153 HG12 VAL 22 HG12 VAL 22 -0.426 -4.238 7.505
154 HG13 VAL 22 HG13 VAL 22 -0.777 -5.605 8.565
155 HG21 VAL 22 HG21 VAL 22 2.082 -6.723 6.425
156 HG22 VAL 22 HG22 VAL 22 1.592 -6.464 8.099
157 HG23 VAL 22 HG23 VAL 22 1.854 -5.083 7.034
158 H ASN 23 HN ASN 23 -2.423 -8.733 7.722
159 HA ASN 23 HA ASN 23 -1.592 -8.574 10.470
160 HB2 ASN 23 HB2 ASN 23 -3.957 -8.328 9.860
161 HB3 ASN 23 HB1 ASN 23 -3.962 -9.952 9.184
162 HD21 ASN 23 HD21 ASN 23 -2.381 -8.940 12.161
163 HD22 ASN 23 HD22 ASN 23 -3.361 -9.896 13.214
164 H ARG 24 HN ARG 24 0.124 -9.820 10.909
165 HA ARG 24 HA ARG 24 -0.102 -12.692 10.285
166 HB2 ARG 24 HB2 ARG 24 2.346 -10.991 10.777
167 HB3 ARG 24 HB1 ARG 24 2.380 -12.744 10.643
168 HG2 ARG 24 HG2 ARG 24 1.461 -12.562 8.365
169 HG3 ARG 24 HG1 ARG 24 1.527 -10.804 8.508
170 HD2 ARG 24 HD2 ARG 24 3.897 -12.644 8.759
171 HD3 ARG 24 HD1 ARG 24 3.460 -11.767 7.294
172 HE ARG 24 HE ARG 24 3.681 -9.725 8.907
173 HH11 ARG 24 HH11 ARG 24 5.658 -12.618 8.987
174 HH12 ARG 24 HH12 ARG 24 7.110 -11.773 9.436
175 HH21 ARG 24 HH21 ARG 24 5.565 -8.614 9.525
176 HH22 ARG 24 HH22 ARG 24 7.055 -9.482 9.749
177 H ASN 25 HN ASN 25 -0.334 -10.418 12.712
178 HA ASN 25 HA ASN 25 -0.404 -12.531 14.700
179 HB2 ASN 25 HB2 ASN 25 0.869 -11.235 16.356
180 HB3 ASN 25 HB1 ASN 25 1.858 -11.628 14.959
181 HD21 ASN 25 HD21 ASN 25 0.357 -9.113 16.792
182 HD22 ASN 25 HD22 ASN 25 1.112 -7.784 15.982
Start of MODEL 4
1 H1 CYS 1 HT1 CYS 1 2.375 4.043 -6.757
2 H2 CYS 1 HT2 CYS 1 1.226 3.112 -5.936
3 H3 CYS 1 HT3 CYS 1 2.384 2.352 -6.917
4 HA CYS 1 HA CYS 1 2.851 3.799 -4.381
5 HB2 CYS 1 HB2 CYS 1 3.298 0.907 -5.164
6 HB3 CYS 1 HB1 CYS 1 3.648 1.615 -3.591
7 H SER 2 HN SER 2 4.649 4.940 -4.447
8 HA SER 2 HA SER 2 6.808 4.159 -6.280
9 HB2 SER 2 HB2 SER 2 5.928 6.495 -6.409
10 HB3 SER 2 HB1 SER 2 6.443 6.752 -4.741
11 HG SER 2 HG SER 2 8.370 5.781 -6.505
12 H CYS 3 HN CYS 3 8.244 2.845 -5.370
13 HA CYS 3 HA CYS 3 8.586 2.821 -2.494
14 HB2 CYS 3 HB2 CYS 3 10.131 1.132 -4.443
15 HB3 CYS 3 HB1 CYS 3 9.680 0.763 -2.785
16 H THR 4 HN THR 4 9.740 4.617 -1.891
17 HA THR 4 HA THR 4 12.226 5.257 -3.213
18 HB THR 4 HB THR 4 11.091 6.468 -0.718
19 HG1 THR 4 HG1 THR 4 10.607 8.165 -2.517
20 HG21 THR 4 HG21 THR 4 13.465 6.939 -1.051
21 HG22 THR 4 HG22 THR 4 12.498 8.394 -1.309
22 HG23 THR 4 HG23 THR 4 13.128 7.497 -2.692
23 H ASP 5 HN ASP 5 13.723 3.722 -2.880
24 HA ASP 5 HA ASP 5 15.228 2.353 -1.859
25 HB2 ASP 5 HB2 ASP 5 15.793 4.664 -0.876
26 HB3 ASP 5 HB1 ASP 5 14.981 4.111 0.584
27 H MET 6 HN MET 6 12.457 1.719 -1.649
28 HA MET 6 HA MET 6 12.161 0.527 1.006
29 HB2 MET 6 HB2 MET 6 10.477 2.140 -0.206
30 HB3 MET 6 HB1 MET 6 10.014 0.688 -1.072
31 HG2 MET 6 HG2 MET 6 8.526 0.879 0.676
32 HG3 MET 6 HG1 MET 6 9.658 -0.363 1.185
33 HE1 MET 6 HE1 MET 6 8.442 3.323 1.668
34 HE2 MET 6 HE2 MET 6 10.087 3.501 1.053
35 HE3 MET 6 HE3 MET 6 9.708 3.977 2.711
36 H SER 7 HN SER 7 11.265 -1.685 1.089
37 HA SER 7 HA SER 7 12.387 -3.387 -0.927
38 HB2 SER 7 HB2 SER 7 10.652 -4.179 1.422
39 HB3 SER 7 HB1 SER 7 11.825 -5.175 0.559
40 HG SER 7 HG SER 7 12.385 -2.905 2.188
41 H ASP 8 HN ASP 8 10.522 -5.423 -0.986
42 HA ASP 8 HA ASP 8 8.675 -4.311 -2.926
43 HB2 ASP 8 HB2 ASP 8 9.855 -6.396 -3.446
44 HB3 ASP 8 HB1 ASP 8 9.088 -7.183 -2.070
45 H LEU 9 HN LEU 9 8.131 -6.708 -0.342
46 HA LEU 9 HA LEU 9 5.376 -6.207 -0.115
47 HB2 LEU 9 HB2 LEU 9 6.495 -8.249 0.723
48 HB3 LEU 9 HB1 LEU 9 7.270 -7.294 1.972
49 HG LEU 9 HG LEU 9 5.009 -6.759 2.891
50 HD11 LEU 9 HD11 LEU 9 4.125 -8.795 0.854
51 HD12 LEU 9 HD12 LEU 9 3.675 -7.090 0.908
52 HD13 LEU 9 HD13 LEU 9 3.130 -8.186 2.177
53 HD21 LEU 9 HD21 LEU 9 4.676 -8.936 3.927
54 HD22 LEU 9 HD22 LEU 9 6.395 -8.553 3.823
55 HD23 LEU 9 HD23 LEU 9 5.674 -9.692 2.686
56 H GLU 10 HN GLU 10 8.174 -4.949 1.578
57 HA GLU 10 HA GLU 10 6.992 -3.360 3.520
58 HB2 GLU 10 HB2 GLU 10 9.391 -3.806 3.360
59 HB3 GLU 10 HB1 GLU 10 9.483 -2.860 1.886
60 HG2 GLU 10 HG2 GLU 10 8.919 -0.851 3.117
61 HG3 GLU 10 HG1 GLU 10 8.765 -1.791 4.601
62 H CYS 11 HN CYS 11 7.584 -2.666 0.110
63 HA CYS 11 HA CYS 11 6.779 0.052 0.181
64 HB2 CYS 11 HB2 CYS 11 8.131 -0.975 -1.650
65 HB3 CYS 11 HB1 CYS 11 6.700 -1.862 -2.163
66 H MET 12 HN MET 12 5.081 -2.970 -0.467
67 HA MET 12 HA MET 12 2.618 -1.688 -1.090
68 HB2 MET 12 HB2 MET 12 3.216 -4.537 -0.276
69 HB3 MET 12 HB1 MET 12 1.643 -3.970 -0.821
70 HG2 MET 12 HG2 MET 12 2.696 -3.276 -2.961
71 HG3 MET 12 HG1 MET 12 4.196 -4.013 -2.411
72 HE1 MET 12 HE1 MET 12 3.297 -7.796 -2.263
73 HE2 MET 12 HE2 MET 12 3.248 -6.638 -0.934
74 HE3 MET 12 HE3 MET 12 4.568 -6.584 -2.102
75 H ASN 13 HN ASN 13 4.218 -2.572 1.846
76 HA ASN 13 HA ASN 13 1.965 -2.631 3.557
77 HB2 ASN 13 HB2 ASN 13 4.880 -2.076 4.088
78 HB3 ASN 13 HB1 ASN 13 3.671 -2.044 5.366
79 HD21 ASN 13 HD21 ASN 13 5.935 -3.767 5.144
80 HD22 ASN 13 HD22 ASN 13 5.330 -5.389 5.066
81 H PHE 14 HN PHE 14 4.318 0.000 2.922
82 HA PHE 14 HA PHE 14 2.831 1.796 4.581
83 HB2 PHE 14 HB2 PHE 14 4.517 3.367 4.240
84 HB3 PHE 14 HB1 PHE 14 5.374 1.843 4.084
85 HD1 PHE 14 HD2 PHE 14 6.065 1.039 1.859
86 HD2 PHE 14 HD1 PHE 14 4.356 4.893 2.423
87 HE1 PHE 14 HE2 PHE 14 6.911 1.730 -0.344
88 HE2 PHE 14 HE1 PHE 14 5.193 5.587 0.217
89 HZ PHE 14 HZ PHE 14 6.519 4.068 -1.127
90 H CYS 15 HN CYS 15 2.836 1.024 1.191
91 HA CYS 15 HA CYS 15 1.416 3.429 0.463
92 HB2 CYS 15 HB2 CYS 15 2.949 2.443 -1.135
93 HB3 CYS 15 HB1 CYS 15 2.042 0.936 -1.122
94 H HIS 16 HN HIS 16 0.541 -0.005 0.894
95 HA HIS 16 HA HIS 16 -2.127 0.508 -0.107
96 HB2 HIS 16 HB2 HIS 16 -0.741 -1.974 0.872
97 HB3 HIS 16 HB1 HIS 16 -2.466 -1.956 0.525
98 HD1 HIS 16 HD1 HIS 16 -2.022 -3.710 -1.372
99 HD2 HIS 16 HD2 HIS 16 -0.214 -0.007 -1.945
100 HE1 HIS 16 HE1 HIS 16 -1.330 -3.654 -3.788
101 HE2 HIS 16 HE2 HIS 16 -0.461 -1.321 -4.165
102 H LYS 17 HN LYS 17 -0.752 1.153 2.779
103 HA LYS 17 HA LYS 17 -3.049 0.388 4.371
104 HB2 LYS 17 HB2 LYS 17 -1.887 1.305 6.281
105 HB3 LYS 17 HB1 LYS 17 -0.776 0.288 5.375
106 HG2 LYS 17 HG2 LYS 17 0.323 2.181 4.443
107 HG3 LYS 17 HG1 LYS 17 -0.909 3.275 5.074
108 HD2 LYS 17 HD2 LYS 17 -0.233 2.659 7.368
109 HD3 LYS 17 HD1 LYS 17 1.039 1.639 6.695
110 HE2 LYS 17 HE2 LYS 17 1.909 3.816 7.400
111 HE3 LYS 17 HE1 LYS 17 2.076 3.579 5.659
112 HZ1 LYS 17 HZ1 LYS 17 0.208 4.994 5.266
113 HZ2 LYS 17 HZ2 LYS 17 1.273 5.815 6.300
114 HZ3 LYS 17 HZ3 LYS 17 -0.136 5.107 6.923
115 H ASP 18 HN ASP 18 -2.449 2.650 2.231
116 HA ASP 18 HA ASP 18 -4.238 4.577 3.537
117 HB2 ASP 18 HB2 ASP 18 -1.859 5.258 1.802
118 HB3 ASP 18 HB1 ASP 18 -3.005 6.391 2.482
119 H VAL 19 HN VAL 19 -4.826 2.419 1.673
120 HA VAL 19 HA VAL 19 -5.215 3.364 -0.922
121 HB VAL 19 HB VAL 19 -7.016 1.691 -1.138
122 HG11 VAL 19 HG11 VAL 19 -5.600 -0.261 -0.812
123 HG12 VAL 19 HG12 VAL 19 -4.537 0.670 0.243
124 HG13 VAL 19 HG13 VAL 19 -4.663 1.083 -1.468
125 HG21 VAL 19 HG21 VAL 19 -7.463 0.180 0.744
126 HG22 VAL 19 HG22 VAL 19 -7.967 1.837 1.079
127 HG23 VAL 19 HG23 VAL 19 -6.477 1.210 1.781
128 H ILE 20 HN ILE 20 -6.580 4.758 -1.809
129 HA ILE 20 HA ILE 20 -8.111 6.383 0.019
130 HB ILE 20 HB ILE 20 -6.599 7.260 -1.808
131 HG12 ILE 20 HG12 ILE 20 -8.114 9.157 -2.338
132 HG13 ILE 20 HG11 ILE 20 -9.460 8.237 -1.671
133 HG21 ILE 20 HG21 ILE 20 -8.934 6.445 -3.524
134 HG22 ILE 20 HG22 ILE 20 -7.280 5.835 -3.615
135 HG23 ILE 20 HG23 ILE 20 -7.626 7.513 -4.036
136 HD11 ILE 20 HD11 ILE 20 -8.639 9.849 -0.061
137 HD12 ILE 20 HD12 ILE 20 -7.020 9.155 -0.164
138 HD13 ILE 20 HD13 ILE 20 -8.344 8.205 0.508
139 H TRP 21 HN TRP 21 -8.854 3.622 -1.580
140 HA TRP 21 HA TRP 21 -11.599 4.471 -2.173
141 HB2 TRP 21 HB2 TRP 21 -11.595 2.145 -3.389
142 HB3 TRP 21 HB1 TRP 21 -10.924 3.577 -4.150
143 HD1 TRP 21 HD1 TRP 21 -8.370 3.591 -4.714
144 HE1 TRP 21 HE1 TRP 21 -6.538 1.783 -4.678
145 HE3 TRP 21 HE3 TRP 21 -10.812 0.029 -1.973
146 HZ2 TRP 21 HZ2 TRP 21 -6.179 -0.803 -3.614
147 HZ3 TRP 21 HZ3 TRP 21 -9.654 -2.088 -1.495
148 HH2 TRP 21 HH2 TRP 21 -7.384 -2.494 -2.300
149 H VAL 22 HN VAL 22 -10.874 3.971 0.488
150 HA VAL 22 HA VAL 22 -11.743 1.354 1.247
151 HB VAL 22 HB VAL 22 -11.550 3.845 2.945
152 HG11 VAL 22 HG11 VAL 22 -12.979 2.156 3.943
153 HG12 VAL 22 HG12 VAL 22 -11.456 2.274 4.826
154 HG13 VAL 22 HG13 VAL 22 -11.727 0.934 3.710
155 HG21 VAL 22 HG21 VAL 22 -9.565 1.618 2.507
156 HG22 VAL 22 HG22 VAL 22 -9.382 2.942 3.660
157 HG23 VAL 22 HG23 VAL 22 -9.413 3.276 1.926
158 H ASN 23 HN ASN 23 -13.737 0.806 0.648
159 HA ASN 23 HA ASN 23 -15.979 0.567 0.832
160 HB2 ASN 23 HB2 ASN 23 -15.765 1.247 3.197
161 HB3 ASN 23 HB1 ASN 23 -15.913 2.935 2.719
162 HD21 ASN 23 HD21 ASN 23 -17.892 3.760 2.211
163 HD22 ASN 23 HD22 ASN 23 -19.373 2.887 2.423
164 H ARG 24 HN ARG 24 -17.212 0.995 -0.834
165 HA ARG 24 HA ARG 24 -17.044 3.675 -2.031
166 HB2 ARG 24 HB2 ARG 24 -18.035 1.169 -3.393
167 HB3 ARG 24 HB1 ARG 24 -17.555 2.684 -4.142
168 HG2 ARG 24 HG2 ARG 24 -15.771 0.651 -2.825
169 HG3 ARG 24 HG1 ARG 24 -15.842 1.075 -4.535
170 HD2 ARG 24 HD2 ARG 24 -14.967 2.896 -2.294
171 HD3 ARG 24 HD1 ARG 24 -13.901 2.074 -3.432
172 HE ARG 24 HE ARG 24 -15.476 3.466 -5.089
173 HH11 ARG 24 HH11 ARG 24 -13.803 4.425 -2.166
174 HH12 ARG 24 HH12 ARG 24 -13.504 6.047 -2.714
175 HH21 ARG 24 HH21 ARG 24 -15.139 5.611 -5.785
176 HH22 ARG 24 HH22 ARG 24 -14.306 6.731 -4.749
177 H ASN 25 HN ASN 25 -19.154 1.404 -0.576
178 HA ASN 25 HA ASN 25 -21.463 3.126 -1.181
179 HB2 ASN 25 HB2 ASN 25 -21.677 0.910 -2.234
180 HB3 ASN 25 HB1 ASN 25 -21.458 0.146 -0.664
181 HD21 ASN 25 HD21 ASN 25 -23.309 3.067 -1.255
182 HD22 ASN 25 HD22 ASN 25 -24.852 2.389 -0.879
Start of MODEL 5
1 H1 CYS 1 HT1 CYS 1 3.850 2.331 -7.896
2 H2 CYS 1 HT2 CYS 1 2.522 1.924 -6.928
3 H3 CYS 1 HT3 CYS 1 4.023 1.178 -6.661
4 HA CYS 1 HA CYS 1 3.408 4.052 -6.276
5 HB2 CYS 1 HB2 CYS 1 4.110 1.965 -4.196
6 HB3 CYS 1 HB1 CYS 1 3.557 3.614 -3.915
7 H SER 2 HN SER 2 5.177 5.304 -5.481
8 HA SER 2 HA SER 2 7.704 4.480 -6.560
9 HB2 SER 2 HB2 SER 2 6.876 6.827 -6.690
10 HB3 SER 2 HB1 SER 2 7.037 6.955 -4.938
11 HG SER 2 HG SER 2 8.897 7.339 -6.810
12 H CYS 3 HN CYS 3 8.707 2.900 -5.454
13 HA CYS 3 HA CYS 3 8.814 2.981 -2.544
14 HB2 CYS 3 HB2 CYS 3 10.207 0.900 -4.183
15 HB3 CYS 3 HB1 CYS 3 9.401 0.740 -2.624
16 H THR 4 HN THR 4 10.253 4.566 -1.981
17 HA THR 4 HA THR 4 12.849 4.676 -3.290
18 HB THR 4 HB THR 4 11.891 6.506 -1.128
19 HG1 THR 4 HG1 THR 4 11.444 6.705 -3.942
20 HG21 THR 4 HG21 THR 4 14.260 6.632 -1.678
21 HG22 THR 4 HG22 THR 4 13.425 8.094 -2.209
22 HG23 THR 4 HG23 THR 4 13.863 6.852 -3.383
23 H ASP 5 HN ASP 5 14.365 3.398 -2.494
24 HA ASP 5 HA ASP 5 15.745 2.284 -1.063
25 HB2 ASP 5 HB2 ASP 5 14.850 4.386 0.929
26 HB3 ASP 5 HB1 ASP 5 16.245 3.330 1.110
27 H MET 6 HN MET 6 13.351 1.137 -1.440
28 HA MET 6 HA MET 6 12.645 -0.080 1.092
29 HB2 MET 6 HB2 MET 6 11.269 1.852 1.224
30 HB3 MET 6 HB1 MET 6 10.825 1.739 -0.466
31 HG2 MET 6 HG2 MET 6 9.387 -0.073 -0.076
32 HG3 MET 6 HG1 MET 6 10.026 -0.319 1.546
33 HE1 MET 6 HE1 MET 6 8.261 2.363 -0.733
34 HE2 MET 6 HE2 MET 6 9.475 3.260 0.180
35 HE3 MET 6 HE3 MET 6 7.759 3.538 0.483
36 H SER 7 HN SER 7 11.544 -2.062 0.820
37 HA SER 7 HA SER 7 11.985 -3.193 -1.799
38 HB2 SER 7 HB2 SER 7 11.664 -5.359 -0.607
39 HB3 SER 7 HB1 SER 7 12.934 -4.366 0.104
40 HG SER 7 HG SER 7 11.581 -3.827 1.778
41 H ASP 8 HN ASP 8 10.256 -5.249 -1.821
42 HA ASP 8 HA ASP 8 8.005 -3.995 -3.001
43 HB2 ASP 8 HB2 ASP 8 8.629 -6.898 -2.467
44 HB3 ASP 8 HB1 ASP 8 7.158 -6.370 -3.277
45 H LEU 9 HN LEU 9 8.262 -6.175 -0.190
46 HA LEU 9 HA LEU 9 5.542 -6.110 0.484
47 HB2 LEU 9 HB2 LEU 9 7.117 -7.774 1.370
48 HB3 LEU 9 HB1 LEU 9 7.922 -6.522 2.296
49 HG LEU 9 HG LEU 9 5.818 -6.170 3.575
50 HD11 LEU 9 HD11 LEU 9 4.262 -7.010 1.873
51 HD12 LEU 9 HD12 LEU 9 4.036 -7.810 3.429
52 HD13 LEU 9 HD13 LEU 9 4.881 -8.642 2.121
53 HD21 LEU 9 HD21 LEU 9 7.562 -7.577 4.494
54 HD22 LEU 9 HD22 LEU 9 6.941 -8.967 3.609
55 HD23 LEU 9 HD23 LEU 9 5.978 -8.240 4.893
56 H GLU 10 HN GLU 10 8.263 -4.180 1.666
57 HA GLU 10 HA GLU 10 6.949 -2.600 3.506
58 HB2 GLU 10 HB2 GLU 10 9.290 -2.100 1.685
59 HB3 GLU 10 HB1 GLU 10 8.809 -1.011 2.951
60 HG2 GLU 10 HG2 GLU 10 9.197 -2.746 4.613
61 HG3 GLU 10 HG1 GLU 10 9.691 -3.843 3.323
62 H CYS 11 HN CYS 11 7.438 -2.173 0.029
63 HA CYS 11 HA CYS 11 6.324 0.413 -0.159
64 HB2 CYS 11 HB2 CYS 11 7.829 -0.799 -1.832
65 HB3 CYS 11 HB1 CYS 11 6.377 -1.628 -2.380
66 H MET 12 HN MET 12 4.954 -2.818 -0.610
67 HA MET 12 HA MET 12 2.373 -1.920 -1.363
68 HB2 MET 12 HB2 MET 12 3.243 -4.527 -0.102
69 HB3 MET 12 HB1 MET 12 1.637 -4.216 -0.749
70 HG2 MET 12 HG2 MET 12 2.671 -3.786 -2.961
71 HG3 MET 12 HG1 MET 12 4.224 -4.264 -2.279
72 HE1 MET 12 HE1 MET 12 3.408 -6.639 -0.341
73 HE2 MET 12 HE2 MET 12 4.782 -6.723 -1.443
74 HE3 MET 12 HE3 MET 12 3.601 -8.032 -1.403
75 H ASN 13 HN ASN 13 3.899 -2.601 1.734
76 HA ASN 13 HA ASN 13 1.624 -2.389 3.344
77 HB2 ASN 13 HB2 ASN 13 4.520 -1.770 3.913
78 HB3 ASN 13 HB1 ASN 13 3.270 -1.617 5.141
79 HD21 ASN 13 HD21 ASN 13 5.545 -3.353 5.171
80 HD22 ASN 13 HD22 ASN 13 4.944 -4.970 5.237
81 H PHE 14 HN PHE 14 4.047 0.175 2.704
82 HA PHE 14 HA PHE 14 2.579 2.104 4.141
83 HB2 PHE 14 HB2 PHE 14 4.336 3.490 3.777
84 HB3 PHE 14 HB1 PHE 14 5.121 2.016 3.234
85 HD1 PHE 14 HD2 PHE 14 5.148 1.517 0.753
86 HD2 PHE 14 HD1 PHE 14 4.056 5.311 2.335
87 HE1 PHE 14 HE2 PHE 14 5.581 2.552 -1.438
88 HE2 PHE 14 HE1 PHE 14 4.481 6.350 0.148
89 HZ PHE 14 HZ PHE 14 5.231 4.988 -1.742
90 H CYS 15 HN CYS 15 2.390 1.076 0.825
91 HA CYS 15 HA CYS 15 0.981 3.475 0.019
92 HB2 CYS 15 HB2 CYS 15 2.654 2.142 -1.405
93 HB3 CYS 15 HB1 CYS 15 1.343 0.998 -1.652
94 H HIS 16 HN HIS 16 0.201 0.215 0.998
95 HA HIS 16 HA HIS 16 -2.575 0.571 0.093
96 HB2 HIS 16 HB2 HIS 16 -0.910 -1.831 0.744
97 HB3 HIS 16 HB1 HIS 16 -2.663 -1.936 0.876
98 HD1 HIS 16 HD1 HIS 16 -3.078 -3.464 -1.062
99 HD2 HIS 16 HD2 HIS 16 -0.848 -0.121 -2.134
100 HE1 HIS 16 HE1 HIS 16 -2.965 -3.504 -3.574
101 HE2 HIS 16 HE2 HIS 16 -1.717 -1.411 -4.212
102 H LYS 17 HN LYS 17 -0.804 1.108 2.834
103 HA LYS 17 HA LYS 17 -2.376 -0.241 4.764
104 HB2 LYS 17 HB2 LYS 17 -1.108 0.944 6.449
105 HB3 LYS 17 HB1 LYS 17 -0.035 0.355 5.184
106 HG2 LYS 17 HG2 LYS 17 -0.017 2.586 4.176
107 HG3 LYS 17 HG1 LYS 17 -1.065 3.166 5.474
108 HD2 LYS 17 HD2 LYS 17 0.664 2.584 7.117
109 HD3 LYS 17 HD1 LYS 17 1.710 2.025 5.807
110 HE2 LYS 17 HE2 LYS 17 2.363 4.256 6.450
111 HE3 LYS 17 HE1 LYS 17 1.648 4.293 4.840
112 HZ1 LYS 17 HZ1 LYS 17 0.306 5.071 7.373
113 HZ2 LYS 17 HZ2 LYS 17 -0.448 5.030 5.855
114 HZ3 LYS 17 HZ3 LYS 17 0.822 6.119 6.144
115 H ASP 18 HN ASP 18 -3.134 2.414 3.033
116 HA ASP 18 HA ASP 18 -5.217 3.087 4.966
117 HB2 ASP 18 HB2 ASP 18 -3.642 5.179 3.473
118 HB3 ASP 18 HB1 ASP 18 -4.969 5.453 4.578
119 H VAL 19 HN VAL 19 -4.444 2.180 1.952
120 HA VAL 19 HA VAL 19 -5.299 2.372 -0.143
121 HB VAL 19 HB VAL 19 -7.882 2.654 1.400
122 HG11 VAL 19 HG11 VAL 19 -7.390 1.786 -1.443
123 HG12 VAL 19 HG12 VAL 19 -8.202 3.261 -0.918
124 HG13 VAL 19 HG13 VAL 19 -8.938 1.690 -0.603
125 HG21 VAL 19 HG21 VAL 19 -6.620 0.677 2.046
126 HG22 VAL 19 HG22 VAL 19 -6.479 0.203 0.351
127 HG23 VAL 19 HG23 VAL 19 -8.061 0.229 1.134
128 H ILE 20 HN ILE 20 -4.081 4.542 0.263
129 HA ILE 20 HA ILE 20 -5.611 6.938 0.146
130 HB ILE 20 HB ILE 20 -3.232 6.864 0.858
131 HG12 ILE 20 HG12 ILE 20 -2.544 8.920 -0.321
132 HG13 ILE 20 HG11 ILE 20 -3.826 8.670 -1.497
133 HG21 ILE 20 HG21 ILE 20 -2.695 6.435 -2.067
134 HG22 ILE 20 HG22 ILE 20 -2.399 5.279 -0.770
135 HG23 ILE 20 HG23 ILE 20 -1.476 6.782 -0.841
136 HD11 ILE 20 HD11 ILE 20 -5.487 8.905 0.277
137 HD12 ILE 20 HD12 ILE 20 -4.454 10.330 0.156
138 HD13 ILE 20 HD13 ILE 20 -4.195 9.161 1.449
139 H TRP 21 HN TRP 21 -4.891 4.477 -2.015
140 HA TRP 21 HA TRP 21 -5.228 6.026 -4.437
141 HB2 TRP 21 HB2 TRP 21 -5.068 3.614 -5.419
142 HB3 TRP 21 HB1 TRP 21 -3.635 4.365 -4.725
143 HD1 TRP 21 HD1 TRP 21 -2.640 3.334 -2.524
144 HE1 TRP 21 HE1 TRP 21 -3.044 1.144 -1.267
145 HE3 TRP 21 HE3 TRP 21 -6.968 1.856 -4.814
146 HZ2 TRP 21 HZ2 TRP 21 -4.932 -0.951 -1.246
147 HZ3 TRP 21 HZ3 TRP 21 -8.006 -0.259 -4.119
148 HH2 TRP 21 HH2 TRP 21 -7.008 -1.633 -2.367
149 H VAL 22 HN VAL 22 -7.343 5.687 -2.422
150 HA VAL 22 HA VAL 22 -9.323 3.904 -3.280
151 HB VAL 22 HB VAL 22 -9.465 4.800 -1.075
152 HG11 VAL 22 HG11 VAL 22 -9.836 7.165 -0.606
153 HG12 VAL 22 HG12 VAL 22 -9.755 7.527 -2.332
154 HG13 VAL 22 HG13 VAL 22 -8.328 6.919 -1.491
155 HG21 VAL 22 HG21 VAL 22 -11.766 5.615 -0.988
156 HG22 VAL 22 HG22 VAL 22 -11.605 4.286 -2.137
157 HG23 VAL 22 HG23 VAL 22 -11.721 5.948 -2.719
158 H ASN 23 HN ASN 23 -9.665 3.967 -5.438
159 HA ASN 23 HA ASN 23 -11.212 6.270 -6.380
160 HB2 ASN 23 HB2 ASN 23 -9.062 4.785 -7.888
161 HB3 ASN 23 HB1 ASN 23 -10.282 5.766 -8.693
162 HD21 ASN 23 HD21 ASN 23 -7.442 5.786 -6.722
163 HD22 ASN 23 HD22 ASN 23 -7.157 7.492 -6.797
164 H ARG 24 HN ARG 24 -13.176 5.547 -6.421
165 HA ARG 24 HA ARG 24 -14.040 3.340 -7.951
166 HB2 ARG 24 HB2 ARG 24 -14.990 2.099 -5.863
167 HB3 ARG 24 HB1 ARG 24 -13.324 1.818 -6.339
168 HG2 ARG 24 HG2 ARG 24 -13.124 2.074 -4.066
169 HG3 ARG 24 HG1 ARG 24 -12.791 3.709 -4.631
170 HD2 ARG 24 HD2 ARG 24 -14.258 3.915 -2.786
171 HD3 ARG 24 HD1 ARG 24 -15.225 4.217 -4.229
172 HE ARG 24 HE ARG 24 -15.275 1.481 -3.352
173 HH11 ARG 24 HH11 ARG 24 -16.770 4.647 -3.011
174 HH12 ARG 24 HH12 ARG 24 -18.260 4.003 -2.376
175 HH21 ARG 24 HH21 ARG 24 -17.202 0.650 -2.492
176 HH22 ARG 24 HH22 ARG 24 -18.499 1.731 -2.061
177 H ASN 25 HN ASN 25 -14.584 5.555 -5.352
178 HA ASN 25 HA ASN 25 -16.519 7.094 -6.430
179 HB2 ASN 25 HB2 ASN 25 -17.986 5.034 -6.445
180 HB3 ASN 25 HB1 ASN 25 -17.893 5.027 -4.685
181 HD21 ASN 25 HD21 ASN 25 -19.091 6.700 -7.486
182 HD22 ASN 25 HD22 ASN 25 -20.223 7.718 -6.656
Start of MODEL 6
1 H1 CYS 1 HT1 CYS 1 2.534 5.317 -5.742
2 H2 CYS 1 HT2 CYS 1 1.419 4.071 -5.462
3 H3 CYS 1 HT3 CYS 1 2.549 3.937 -6.725
4 HA CYS 1 HA CYS 1 3.219 4.075 -3.849
5 HB2 CYS 1 HB2 CYS 1 3.156 1.714 -5.741
6 HB3 CYS 1 HB1 CYS 1 3.826 1.682 -4.113
7 H SER 2 HN SER 2 4.937 5.484 -4.075
8 HA SER 2 HA SER 2 6.993 4.864 -6.047
9 HB2 SER 2 HB2 SER 2 6.870 7.085 -3.989
10 HB3 SER 2 HB1 SER 2 8.024 6.960 -5.316
11 HG SER 2 HG SER 2 6.214 8.358 -5.761
12 H CYS 3 HN CYS 3 8.003 3.016 -5.385
13 HA CYS 3 HA CYS 3 8.737 2.651 -2.611
14 HB2 CYS 3 HB2 CYS 3 9.674 0.893 -4.855
15 HB3 CYS 3 HB1 CYS 3 9.326 0.465 -3.187
16 H THR 4 HN THR 4 10.222 4.289 -2.194
17 HA THR 4 HA THR 4 12.679 4.303 -3.770
18 HB THR 4 HB THR 4 11.871 6.165 -1.563
19 HG1 THR 4 HG1 THR 4 10.901 5.951 -4.038
20 HG21 THR 4 HG21 THR 4 13.569 7.646 -2.516
21 HG22 THR 4 HG22 THR 4 13.964 6.417 -3.717
22 HG23 THR 4 HG23 THR 4 14.279 6.114 -2.008
23 H ASP 5 HN ASP 5 14.000 2.699 -3.150
24 HA ASP 5 HA ASP 5 15.405 1.432 -1.893
25 HB2 ASP 5 HB2 ASP 5 16.116 3.720 -1.032
26 HB3 ASP 5 HB1 ASP 5 15.054 3.446 0.345
27 H MET 6 HN MET 6 12.426 1.352 -1.751
28 HA MET 6 HA MET 6 11.911 0.217 0.884
29 HB2 MET 6 HB2 MET 6 10.415 1.887 -0.542
30 HB3 MET 6 HB1 MET 6 9.823 0.373 -1.219
31 HG2 MET 6 HG2 MET 6 8.395 0.868 0.547
32 HG3 MET 6 HG1 MET 6 9.463 -0.388 1.149
33 HE1 MET 6 HE1 MET 6 8.559 3.450 1.277
34 HE2 MET 6 HE2 MET 6 10.177 3.395 0.579
35 HE3 MET 6 HE3 MET 6 9.932 4.078 2.188
36 H SER 7 HN SER 7 12.082 -1.913 1.163
37 HA SER 7 HA SER 7 12.553 -3.674 -1.020
38 HB2 SER 7 HB2 SER 7 12.015 -4.390 1.870
39 HB3 SER 7 HB1 SER 7 12.837 -5.383 0.666
40 HG SER 7 HG SER 7 14.292 -3.383 0.550
41 H ASP 8 HN ASP 8 10.734 -3.569 -2.279
42 HA ASP 8 HA ASP 8 8.622 -3.995 -3.048
43 HB2 ASP 8 HB2 ASP 8 9.979 -6.010 -3.450
44 HB3 ASP 8 HB1 ASP 8 9.396 -6.690 -1.934
45 H LEU 9 HN LEU 9 8.507 -6.256 -0.354
46 HA LEU 9 HA LEU 9 5.752 -6.027 0.047
47 HB2 LEU 9 HB2 LEU 9 7.070 -7.919 0.853
48 HB3 LEU 9 HB1 LEU 9 7.890 -6.879 2.002
49 HG LEU 9 HG LEU 9 5.707 -6.481 3.132
50 HD11 LEU 9 HD11 LEU 9 4.728 -8.633 1.265
51 HD12 LEU 9 HD12 LEU 9 4.234 -6.939 1.246
52 HD13 LEU 9 HD13 LEU 9 3.833 -7.962 2.629
53 HD21 LEU 9 HD21 LEU 9 5.586 -8.703 4.176
54 HD22 LEU 9 HD22 LEU 9 7.246 -8.138 3.993
55 HD23 LEU 9 HD23 LEU 9 6.598 -9.348 2.885
56 H GLU 10 HN GLU 10 8.434 -4.273 1.483
57 HA GLU 10 HA GLU 10 6.922 -2.962 3.492
58 HB2 GLU 10 HB2 GLU 10 9.479 -3.197 3.317
59 HB3 GLU 10 HB1 GLU 10 9.404 -1.836 2.208
60 HG2 GLU 10 HG2 GLU 10 9.947 -1.190 4.524
61 HG3 GLU 10 HG1 GLU 10 8.484 -0.420 3.909
62 H CYS 11 HN CYS 11 7.491 -2.340 0.105
63 HA CYS 11 HA CYS 11 6.476 0.329 0.078
64 HB2 CYS 11 HB2 CYS 11 7.890 -0.687 -1.754
65 HB3 CYS 11 HB1 CYS 11 6.487 -1.645 -2.222
66 H MET 12 HN MET 12 5.128 -2.872 -0.244
67 HA MET 12 HA MET 12 2.495 -2.124 -0.949
68 HB2 MET 12 HB2 MET 12 3.426 -4.571 0.571
69 HB3 MET 12 HB1 MET 12 1.885 -4.390 -0.256
70 HG2 MET 12 HG2 MET 12 3.007 -4.270 -2.391
71 HG3 MET 12 HG1 MET 12 4.578 -4.337 -1.600
72 HE1 MET 12 HE1 MET 12 1.235 -6.347 -2.302
73 HE2 MET 12 HE2 MET 12 1.391 -6.348 -0.545
74 HE3 MET 12 HE3 MET 12 1.583 -7.851 -1.446
75 H ASN 13 HN ASN 13 4.228 -2.368 2.072
76 HA ASN 13 HA ASN 13 1.970 -2.210 3.777
77 HB2 ASN 13 HB2 ASN 13 4.855 -1.476 4.290
78 HB3 ASN 13 HB1 ASN 13 3.608 -1.527 5.529
79 HD21 ASN 13 HD21 ASN 13 6.058 -3.028 5.342
80 HD22 ASN 13 HD22 ASN 13 5.608 -4.702 5.326
81 H PHE 14 HN PHE 14 4.382 0.298 2.917
82 HA PHE 14 HA PHE 14 2.966 2.267 4.397
83 HB2 PHE 14 HB2 PHE 14 4.710 3.708 3.953
84 HB3 PHE 14 HB1 PHE 14 5.503 2.156 3.740
85 HD1 PHE 14 HD2 PHE 14 6.009 1.338 1.455
86 HD2 PHE 14 HD1 PHE 14 4.463 5.238 2.164
87 HE1 PHE 14 HE2 PHE 14 6.726 2.030 -0.793
88 HE2 PHE 14 HE1 PHE 14 5.182 5.935 -0.084
89 HZ PHE 14 HZ PHE 14 6.312 4.328 -1.565
90 H CYS 15 HN CYS 15 2.703 1.186 1.124
91 HA CYS 15 HA CYS 15 1.372 3.667 0.344
92 HB2 CYS 15 HB2 CYS 15 3.079 2.764 -1.165
93 HB3 CYS 15 HB1 CYS 15 2.153 1.276 -1.331
94 H HIS 16 HN HIS 16 0.632 0.283 0.944
95 HA HIS 16 HA HIS 16 -2.046 0.655 -0.182
96 HB2 HIS 16 HB2 HIS 16 -0.626 -1.847 0.737
97 HB3 HIS 16 HB1 HIS 16 -2.294 -1.814 0.182
98 HD1 HIS 16 HD1 HIS 16 -2.574 -2.374 -2.196
99 HD2 HIS 16 HD2 HIS 16 1.188 -0.778 -1.429
100 HE1 HIS 16 HE1 HIS 16 -1.323 -2.507 -4.375
101 HE2 HIS 16 HE2 HIS 16 1.005 -1.695 -3.844
102 H LYS 17 HN LYS 17 -0.807 1.481 2.587
103 HA LYS 17 HA LYS 17 -2.909 0.407 4.298
104 HB2 LYS 17 HB2 LYS 17 -1.818 1.665 6.106
105 HB3 LYS 17 HB1 LYS 17 -0.693 0.585 5.299
106 HG2 LYS 17 HG2 LYS 17 0.452 2.330 4.285
107 HG3 LYS 17 HG1 LYS 17 -0.895 3.452 4.476
108 HD2 LYS 17 HD2 LYS 17 0.723 2.330 6.757
109 HD3 LYS 17 HD1 LYS 17 1.009 3.903 6.011
110 HE2 LYS 17 HE2 LYS 17 -1.586 3.052 7.292
111 HE3 LYS 17 HE1 LYS 17 -0.348 4.023 8.084
112 HZ1 LYS 17 HZ1 LYS 17 -1.738 4.820 5.575
113 HZ2 LYS 17 HZ2 LYS 17 -0.672 5.764 6.498
114 HZ3 LYS 17 HZ3 LYS 17 -2.185 5.342 7.127
115 H ASP 18 HN ASP 18 -3.151 2.341 2.005
116 HA ASP 18 HA ASP 18 -4.919 4.204 3.398
117 HB2 ASP 18 HB2 ASP 18 -2.748 4.894 1.438
118 HB3 ASP 18 HB1 ASP 18 -4.162 5.906 1.622
119 H VAL 19 HN VAL 19 -5.700 1.864 2.199
120 HA VAL 19 HA VAL 19 -6.413 2.129 -0.509
121 HB VAL 19 HB VAL 19 -8.065 0.337 -0.093
122 HG11 VAL 19 HG11 VAL 19 -5.343 -0.164 1.106
123 HG12 VAL 19 HG12 VAL 19 -5.735 -0.203 -0.612
124 HG13 VAL 19 HG13 VAL 19 -6.444 -1.395 0.478
125 HG21 VAL 19 HG21 VAL 19 -8.758 0.934 2.140
126 HG22 VAL 19 HG22 VAL 19 -7.142 0.606 2.756
127 HG23 VAL 19 HG23 VAL 19 -8.127 -0.713 2.133
128 H ILE 20 HN ILE 20 -8.142 3.014 -1.505
129 HA ILE 20 HA ILE 20 -9.586 4.947 0.101
130 HB ILE 20 HB ILE 20 -8.417 5.384 -2.171
131 HG12 ILE 20 HG12 ILE 20 -10.107 7.129 -2.719
132 HG13 ILE 20 HG11 ILE 20 -11.209 6.368 -1.573
133 HG21 ILE 20 HG21 ILE 20 -9.880 5.149 -4.119
134 HG22 ILE 20 HG22 ILE 20 -11.052 4.283 -3.126
135 HG23 ILE 20 HG23 ILE 20 -9.459 3.587 -3.417
136 HD11 ILE 20 HD11 ILE 20 -10.089 8.304 -0.610
137 HD12 ILE 20 HD12 ILE 20 -8.524 7.540 -0.897
138 HD13 ILE 20 HD13 ILE 20 -9.662 6.815 0.238
139 H TRP 21 HN TRP 21 -10.105 1.838 -1.073
140 HA TRP 21 HA TRP 21 -12.947 2.205 -1.522
141 HB2 TRP 21 HB2 TRP 21 -12.767 -0.370 -1.945
142 HB3 TRP 21 HB1 TRP 21 -12.170 0.772 -3.138
143 HD1 TRP 21 HD1 TRP 21 -9.633 0.716 -3.719
144 HE1 TRP 21 HE1 TRP 21 -7.696 -0.862 -3.100
145 HE3 TRP 21 HE3 TRP 21 -11.856 -1.824 0.123
146 HZ2 TRP 21 HZ2 TRP 21 -7.193 -2.927 -1.233
147 HZ3 TRP 21 HZ3 TRP 21 -10.583 -3.590 1.265
148 HH2 TRP 21 HH2 TRP 21 -8.298 -4.126 0.600
149 H VAL 22 HN VAL 22 -12.171 2.721 1.099
150 HA VAL 22 HA VAL 22 -13.077 0.419 2.647
151 HB VAL 22 HB VAL 22 -12.666 1.868 4.640
152 HG11 VAL 22 HG11 VAL 22 -10.933 0.366 3.825
153 HG12 VAL 22 HG12 VAL 22 -10.232 1.848 4.476
154 HG13 VAL 22 HG13 VAL 22 -10.349 1.620 2.732
155 HG21 VAL 22 HG21 VAL 22 -11.586 3.824 2.611
156 HG22 VAL 22 HG22 VAL 22 -11.487 3.983 4.365
157 HG23 VAL 22 HG23 VAL 22 -13.057 4.038 3.559
158 H ASN 23 HN ASN 23 -14.653 2.210 0.775
159 HA ASN 23 HA ASN 23 -16.929 2.656 2.562
160 HB2 ASN 23 HB2 ASN 23 -16.005 4.851 2.390
161 HB3 ASN 23 HB1 ASN 23 -15.726 4.676 0.663
162 HD21 ASN 23 HD21 ASN 23 -18.133 5.235 3.140
163 HD22 ASN 23 HD22 ASN 23 -19.371 5.797 2.068
164 H ARG 24 HN ARG 24 -18.757 1.914 1.768
165 HA ARG 24 HA ARG 24 -20.329 1.048 0.404
166 HB2 ARG 24 HB2 ARG 24 -20.084 3.269 -0.711
167 HB3 ARG 24 HB1 ARG 24 -18.935 2.534 -1.821
168 HG2 ARG 24 HG2 ARG 24 -20.614 1.105 -2.728
169 HG3 ARG 24 HG1 ARG 24 -21.776 1.602 -1.495
170 HD2 ARG 24 HD2 ARG 24 -21.665 3.904 -2.372
171 HD3 ARG 24 HD1 ARG 24 -20.575 3.349 -3.638
172 HE ARG 24 HE ARG 24 -22.480 1.873 -4.348
173 HH11 ARG 24 HH11 ARG 24 -23.027 4.843 -2.583
174 HH12 ARG 24 HH12 ARG 24 -24.621 5.092 -3.242
175 HH21 ARG 24 HH21 ARG 24 -24.566 2.232 -5.264
176 HH22 ARG 24 HH22 ARG 24 -25.466 3.642 -4.793
177 H ASN 25 HN ASN 25 -19.401 -1.004 0.837
178 HA ASN 25 HA ASN 25 -18.564 -2.346 -1.614
179 HB2 ASN 25 HB2 ASN 25 -16.445 -1.917 -0.497
180 HB3 ASN 25 HB1 ASN 25 -17.072 -2.573 1.012
181 HD21 ASN 25 HD21 ASN 25 -15.992 -3.322 -2.212
182 HD22 ASN 25 HD22 ASN 25 -15.750 -5.017 -1.951
Start of MODEL 7
1 H1 CYS 1 HT1 CYS 1 3.526 2.296 -6.157
2 H2 CYS 1 HT2 CYS 1 3.460 3.486 -7.359
3 H3 CYS 1 HT3 CYS 1 2.195 3.346 -6.239
4 HA CYS 1 HA CYS 1 3.580 5.216 -5.689
5 HB2 CYS 1 HB2 CYS 1 3.995 2.892 -3.787
6 HB3 CYS 1 HB1 CYS 1 4.107 4.600 -3.371
7 H SER 2 HN SER 2 5.699 5.892 -4.771
8 HA SER 2 HA SER 2 7.821 4.650 -6.353
9 HB2 SER 2 HB2 SER 2 7.871 7.273 -4.842
10 HB3 SER 2 HB1 SER 2 9.032 6.722 -6.048
11 HG SER 2 HG SER 2 6.590 7.915 -6.385
12 H CYS 3 HN CYS 3 8.582 2.932 -5.212
13 HA CYS 3 HA CYS 3 9.234 3.281 -2.388
14 HB2 CYS 3 HB2 CYS 3 10.012 0.726 -3.517
15 HB3 CYS 3 HB1 CYS 3 8.913 1.071 -2.189
16 H THR 4 HN THR 4 11.069 4.435 -2.201
17 HA THR 4 HA THR 4 13.372 3.724 -3.861
18 HB THR 4 HB THR 4 13.216 5.995 -1.917
19 HG1 THR 4 HG1 THR 4 12.144 5.741 -4.497
20 HG21 THR 4 HG21 THR 4 14.923 5.528 -4.357
21 HG22 THR 4 HG22 THR 4 15.453 5.380 -2.681
22 HG23 THR 4 HG23 THR 4 14.978 6.954 -3.321
23 H ASP 5 HN ASP 5 14.591 2.186 -3.067
24 HA ASP 5 HA ASP 5 15.857 0.919 -1.673
25 HB2 ASP 5 HB2 ASP 5 16.676 3.004 -0.653
26 HB3 ASP 5 HB1 ASP 5 15.292 3.013 0.436
27 H MET 6 HN MET 6 12.758 2.021 -0.617
28 HA MET 6 HA MET 6 12.057 0.158 1.317
29 HB2 MET 6 HB2 MET 6 10.809 2.228 0.352
30 HB3 MET 6 HB1 MET 6 10.153 1.087 -0.811
31 HG2 MET 6 HG2 MET 6 8.565 1.246 0.867
32 HG3 MET 6 HG1 MET 6 9.402 -0.266 1.174
33 HE1 MET 6 HE1 MET 6 9.994 3.619 3.557
34 HE2 MET 6 HE2 MET 6 8.738 3.378 2.343
35 HE3 MET 6 HE3 MET 6 10.432 3.437 1.857
36 H SER 7 HN SER 7 11.735 -1.990 1.227
37 HA SER 7 HA SER 7 12.175 -3.247 -1.355
38 HB2 SER 7 HB2 SER 7 12.258 -4.462 1.413
39 HB3 SER 7 HB1 SER 7 12.794 -5.229 -0.084
40 HG SER 7 HG SER 7 13.912 -2.765 0.323
41 H ASP 8 HN ASP 8 10.366 -3.448 -2.402
42 HA ASP 8 HA ASP 8 8.302 -4.142 -3.075
43 HB2 ASP 8 HB2 ASP 8 9.538 -6.557 -1.786
44 HB3 ASP 8 HB1 ASP 8 8.001 -6.647 -2.636
45 H LEU 9 HN LEU 9 8.364 -6.110 -0.190
46 HA LEU 9 HA LEU 9 5.612 -6.002 0.259
47 HB2 LEU 9 HB2 LEU 9 7.056 -7.754 1.160
48 HB3 LEU 9 HB1 LEU 9 7.842 -6.585 2.203
49 HG LEU 9 HG LEU 9 5.678 -6.239 3.377
50 HD11 LEU 9 HD11 LEU 9 3.874 -7.836 3.036
51 HD12 LEU 9 HD12 LEU 9 4.766 -8.577 1.708
52 HD13 LEU 9 HD13 LEU 9 4.186 -6.918 1.562
53 HD21 LEU 9 HD21 LEU 9 5.735 -8.349 4.600
54 HD22 LEU 9 HD22 LEU 9 7.365 -7.770 4.254
55 HD23 LEU 9 HD23 LEU 9 6.675 -9.082 3.301
56 H GLU 10 HN GLU 10 8.243 -4.183 1.789
57 HA GLU 10 HA GLU 10 6.590 -2.778 3.597
58 HB2 GLU 10 HB2 GLU 10 9.160 -3.062 3.610
59 HB3 GLU 10 HB1 GLU 10 9.173 -1.692 2.511
60 HG2 GLU 10 HG2 GLU 10 9.548 -1.020 4.832
61 HG3 GLU 10 HG1 GLU 10 8.092 -0.297 4.150
62 H CYS 11 HN CYS 11 7.449 -2.259 0.255
63 HA CYS 11 HA CYS 11 6.614 0.439 0.058
64 HB2 CYS 11 HB2 CYS 11 7.980 -0.591 -1.706
65 HB3 CYS 11 HB1 CYS 11 6.658 -1.692 -2.089
66 H MET 12 HN MET 12 4.946 -2.637 -0.565
67 HA MET 12 HA MET 12 2.495 -1.522 -1.358
68 HB2 MET 12 HB2 MET 12 3.033 -4.158 0.022
69 HB3 MET 12 HB1 MET 12 1.511 -3.715 -0.741
70 HG2 MET 12 HG2 MET 12 2.775 -3.430 -2.884
71 HG3 MET 12 HG1 MET 12 4.177 -4.114 -2.068
72 HE1 MET 12 HE1 MET 12 2.851 -6.287 -0.183
73 HE2 MET 12 HE2 MET 12 4.281 -6.634 -1.154
74 HE3 MET 12 HE3 MET 12 2.898 -7.729 -1.196
75 H ASN 13 HN ASN 13 3.809 -2.176 1.830
76 HA ASN 13 HA ASN 13 1.479 -1.767 3.320
77 HB2 ASN 13 HB2 ASN 13 4.381 -1.276 3.996
78 HB3 ASN 13 HB1 ASN 13 3.086 -1.034 5.163
79 HD21 ASN 13 HD21 ASN 13 5.327 -2.893 5.195
80 HD22 ASN 13 HD22 ASN 13 4.628 -4.479 5.333
81 H PHE 14 HN PHE 14 4.053 0.665 2.631
82 HA PHE 14 HA PHE 14 2.384 2.752 3.687
83 HB2 PHE 14 HB2 PHE 14 4.177 4.199 3.427
84 HB3 PHE 14 HB1 PHE 14 4.989 2.654 3.625
85 HD1 PHE 14 HD2 PHE 14 6.144 1.613 1.745
86 HD2 PHE 14 HD1 PHE 14 4.223 5.389 1.349
87 HE1 PHE 14 HE2 PHE 14 7.375 2.019 -0.344
88 HE2 PHE 14 HE1 PHE 14 5.455 5.802 -0.744
89 HZ PHE 14 HZ PHE 14 7.032 4.112 -1.591
90 H CYS 15 HN CYS 15 2.573 1.191 0.704
91 HA CYS 15 HA CYS 15 1.641 3.412 -0.885
92 HB2 CYS 15 HB2 CYS 15 3.069 1.592 -1.809
93 HB3 CYS 15 HB1 CYS 15 1.731 0.473 -1.591
94 H HIS 16 HN HIS 16 0.219 0.389 0.387
95 HA HIS 16 HA HIS 16 -2.290 0.913 -0.869
96 HB2 HIS 16 HB2 HIS 16 -2.993 -1.156 -0.097
97 HB3 HIS 16 HB1 HIS 16 -1.252 -1.373 -0.183
98 HD1 HIS 16 HD1 HIS 16 -4.066 -1.853 2.028
99 HD2 HIS 16 HD2 HIS 16 0.011 -1.168 2.465
100 HE1 HIS 16 HE1 HIS 16 -3.508 -2.558 4.373
101 HE2 HIS 16 HE2 HIS 16 -1.001 -2.362 4.528
102 H LYS 17 HN LYS 17 -0.891 1.675 2.210
103 HA LYS 17 HA LYS 17 -1.604 2.958 3.957
104 HB2 LYS 17 HB2 LYS 17 -3.056 4.213 1.640
105 HB3 LYS 17 HB1 LYS 17 -3.076 4.912 3.252
106 HG2 LYS 17 HG2 LYS 17 -0.605 4.378 1.626
107 HG3 LYS 17 HG1 LYS 17 -1.404 5.941 1.784
108 HD2 LYS 17 HD2 LYS 17 -0.446 4.407 4.184
109 HD3 LYS 17 HD1 LYS 17 0.634 5.459 3.274
110 HE2 LYS 17 HE2 LYS 17 -0.207 6.722 5.103
111 HE3 LYS 17 HE1 LYS 17 -1.004 7.318 3.650
112 HZ1 LYS 17 HZ1 LYS 17 -2.207 5.367 5.545
113 HZ2 LYS 17 HZ2 LYS 17 -2.972 6.109 4.227
114 HZ3 LYS 17 HZ3 LYS 17 -2.512 7.037 5.565
115 H ASP 18 HN ASP 18 -3.161 0.536 3.547
116 HA ASP 18 HA ASP 18 -4.918 -0.531 4.487
117 HB2 ASP 18 HB2 ASP 18 -5.291 2.057 6.000
118 HB3 ASP 18 HB1 ASP 18 -6.018 0.510 6.401
119 H VAL 19 HN VAL 19 -5.221 1.580 2.227
120 HA VAL 19 HA VAL 19 -6.825 2.593 1.003
121 HB VAL 19 HB VAL 19 -8.491 0.258 1.973
122 HG11 VAL 19 HG11 VAL 19 -9.778 0.557 -0.065
123 HG12 VAL 19 HG12 VAL 19 -8.772 1.933 -0.519
124 HG13 VAL 19 HG13 VAL 19 -9.815 2.036 0.898
125 HG21 VAL 19 HG21 VAL 19 -7.728 -0.867 -0.049
126 HG22 VAL 19 HG22 VAL 19 -6.353 -0.410 0.959
127 HG23 VAL 19 HG23 VAL 19 -6.753 0.542 -0.474
128 H ILE 20 HN ILE 20 -6.452 3.801 3.316
129 HA ILE 20 HA ILE 20 -8.950 4.428 4.608
130 HB ILE 20 HB ILE 20 -6.731 4.628 5.746
131 HG12 ILE 20 HG12 ILE 20 -7.250 6.760 6.880
132 HG13 ILE 20 HG11 ILE 20 -8.395 7.150 5.603
133 HG21 ILE 20 HG21 ILE 20 -6.422 7.031 3.962
134 HG22 ILE 20 HG22 ILE 20 -5.452 5.561 3.912
135 HG23 ILE 20 HG23 ILE 20 -5.372 6.621 5.320
136 HD11 ILE 20 HD11 ILE 20 -8.590 4.820 7.498
137 HD12 ILE 20 HD12 ILE 20 -9.744 5.217 6.225
138 HD13 ILE 20 HD13 ILE 20 -9.518 6.316 7.587
139 H TRP 21 HN TRP 21 -7.482 5.163 1.720
140 HA TRP 21 HA TRP 21 -8.502 7.840 1.410
141 HB2 TRP 21 HB2 TRP 21 -7.611 7.353 -1.016
142 HB3 TRP 21 HB1 TRP 21 -6.509 7.674 0.310
143 HD1 TRP 21 HD1 TRP 21 -4.823 5.789 0.980
144 HE1 TRP 21 HE1 TRP 21 -4.233 3.483 0.003
145 HE3 TRP 21 HE3 TRP 21 -8.760 5.229 -2.232
146 HZ2 TRP 21 HZ2 TRP 21 -5.286 1.681 -1.877
147 HZ3 TRP 21 HZ3 TRP 21 -8.890 3.185 -3.589
148 HH2 TRP 21 HH2 TRP 21 -7.189 1.445 -3.412
149 H VAL 22 HN VAL 22 -10.342 5.634 1.820
150 HA VAL 22 HA VAL 22 -11.830 5.624 -0.699
151 HB VAL 22 HB VAL 22 -11.391 3.446 0.407
152 HG11 VAL 22 HG11 VAL 22 -12.533 2.888 2.490
153 HG12 VAL 22 HG12 VAL 22 -13.121 4.548 2.611
154 HG13 VAL 22 HG13 VAL 22 -11.389 4.216 2.698
155 HG21 VAL 22 HG21 VAL 22 -13.672 2.568 0.302
156 HG22 VAL 22 HG22 VAL 22 -13.332 3.665 -1.037
157 HG23 VAL 22 HG23 VAL 22 -14.305 4.215 0.327
158 H ASN 23 HN ASN 23 -11.453 7.542 1.720
159 HA ASN 23 HA ASN 23 -14.286 8.310 1.934
160 HB2 ASN 23 HB2 ASN 23 -13.643 7.602 4.119
161 HB3 ASN 23 HB1 ASN 23 -12.100 8.442 4.017
162 HD21 ASN 23 HD21 ASN 23 -15.560 8.834 4.429
163 HD22 ASN 23 HD22 ASN 23 -15.477 10.430 5.109
164 H ARG 24 HN ARG 24 -14.684 10.142 0.905
165 HA ARG 24 HA ARG 24 -12.910 12.388 1.012
166 HB2 ARG 24 HB2 ARG 24 -12.442 12.530 -1.373
167 HB3 ARG 24 HB1 ARG 24 -11.811 11.019 -0.733
168 HG2 ARG 24 HG2 ARG 24 -13.791 9.846 -1.607
169 HG3 ARG 24 HG1 ARG 24 -14.365 11.367 -2.293
170 HD2 ARG 24 HD2 ARG 24 -13.285 10.109 -4.020
171 HD3 ARG 24 HD1 ARG 24 -12.268 11.490 -3.615
172 HE ARG 24 HE ARG 24 -11.072 9.739 -2.123
173 HH11 ARG 24 HH11 ARG 24 -12.507 9.131 -5.264
174 HH12 ARG 24 HH12 ARG 24 -11.391 7.858 -5.667
175 HH21 ARG 24 HH21 ARG 24 -9.630 8.040 -2.642
176 HH22 ARG 24 HH22 ARG 24 -9.750 7.245 -4.186
177 H ASN 25 HN ASN 25 -13.770 14.121 -0.568
178 HA ASN 25 HA ASN 25 -16.556 13.896 -1.277
179 HB2 ASN 25 HB2 ASN 25 -17.347 15.732 0.094
180 HB3 ASN 25 HB1 ASN 25 -16.626 14.521 1.146
181 HD21 ASN 25 HD21 ASN 25 -16.386 17.726 -0.116
182 HD22 ASN 25 HD22 ASN 25 -15.106 18.261 0.918
Start of MODEL 8
1 H1 CYS 1 HT1 CYS 1 3.397 3.812 -7.674
2 H2 CYS 1 HT2 CYS 1 3.465 5.348 -6.961
3 H3 CYS 1 HT3 CYS 1 2.205 4.290 -6.571
4 HA CYS 1 HA CYS 1 3.854 4.413 -4.817
5 HB2 CYS 1 HB2 CYS 1 3.722 1.763 -6.273
6 HB3 CYS 1 HB1 CYS 1 4.239 1.970 -4.603
7 H SER 2 HN SER 2 5.758 5.413 -4.813
8 HA SER 2 HA SER 2 7.898 4.344 -6.523
9 HB2 SER 2 HB2 SER 2 7.795 6.972 -5.020
10 HB3 SER 2 HB1 SER 2 9.040 6.469 -6.165
11 HG SER 2 HG SER 2 6.285 6.753 -6.806
12 H CYS 3 HN CYS 3 8.922 2.758 -5.468
13 HA CYS 3 HA CYS 3 9.211 2.892 -2.573
14 HB2 CYS 3 HB2 CYS 3 10.251 0.633 -4.236
15 HB3 CYS 3 HB1 CYS 3 9.540 0.601 -2.627
16 H THR 4 HN THR 4 10.868 4.237 -2.038
17 HA THR 4 HA THR 4 13.372 4.038 -3.521
18 HB THR 4 HB THR 4 12.600 5.951 -1.340
19 HG1 THR 4 HG1 THR 4 12.185 5.921 -4.089
20 HG21 THR 4 HG21 THR 4 14.938 5.951 -3.244
21 HG22 THR 4 HG22 THR 4 15.010 5.675 -1.502
22 HG23 THR 4 HG23 THR 4 14.535 7.255 -2.126
23 H ASP 5 HN ASP 5 14.435 2.260 -2.889
24 HA ASP 5 HA ASP 5 15.697 0.868 -1.621
25 HB2 ASP 5 HB2 ASP 5 15.706 3.236 0.259
26 HB3 ASP 5 HB1 ASP 5 16.671 1.786 0.512
27 H MET 6 HN MET 6 12.774 0.948 -1.385
28 HA MET 6 HA MET 6 12.413 -0.107 1.324
29 HB2 MET 6 HB2 MET 6 11.008 1.852 0.482
30 HB3 MET 6 HB1 MET 6 10.240 0.704 -0.605
31 HG2 MET 6 HG2 MET 6 9.501 -0.598 1.284
32 HG3 MET 6 HG1 MET 6 10.319 0.498 2.382
33 HE1 MET 6 HE1 MET 6 9.699 3.303 0.962
34 HE2 MET 6 HE2 MET 6 9.625 3.031 2.705
35 HE3 MET 6 HE3 MET 6 8.269 3.793 1.869
36 H SER 7 HN SER 7 11.311 -2.118 1.582
37 HA SER 7 HA SER 7 11.839 -3.902 -0.654
38 HB2 SER 7 HB2 SER 7 11.125 -4.494 2.228
39 HB3 SER 7 HB1 SER 7 11.525 -5.706 1.012
40 HG SER 7 HG SER 7 13.353 -3.633 1.318
41 H ASP 8 HN ASP 8 10.271 -3.824 -2.039
42 HA ASP 8 HA ASP 8 8.118 -3.840 -2.941
43 HB2 ASP 8 HB2 ASP 8 8.595 -6.562 -1.740
44 HB3 ASP 8 HB1 ASP 8 7.412 -6.214 -2.994
45 H LEU 9 HN LEU 9 7.578 -5.965 -0.171
46 HA LEU 9 HA LEU 9 4.813 -5.541 -0.089
47 HB2 LEU 9 HB2 LEU 9 5.951 -7.478 0.904
48 HB3 LEU 9 HB1 LEU 9 6.644 -6.439 2.133
49 HG LEU 9 HG LEU 9 4.358 -5.947 2.965
50 HD11 LEU 9 HD11 LEU 9 2.500 -7.360 2.222
51 HD12 LEU 9 HD12 LEU 9 3.532 -8.052 0.969
52 HD13 LEU 9 HD13 LEU 9 3.111 -6.340 0.918
53 HD21 LEU 9 HD21 LEU 9 5.099 -8.870 2.839
54 HD22 LEU 9 HD22 LEU 9 3.999 -8.133 4.004
55 HD23 LEU 9 HD23 LEU 9 5.704 -7.688 4.002
56 H GLU 10 HN GLU 10 7.419 -4.016 1.742
57 HA GLU 10 HA GLU 10 5.789 -2.542 3.512
58 HB2 GLU 10 HB2 GLU 10 8.355 -2.987 3.568
59 HB3 GLU 10 HB1 GLU 10 8.457 -1.569 2.535
60 HG2 GLU 10 HG2 GLU 10 8.814 -0.867 4.772
61 HG3 GLU 10 HG1 GLU 10 7.227 -0.285 4.272
62 H CYS 11 HN CYS 11 6.974 -1.957 0.282
63 HA CYS 11 HA CYS 11 6.311 0.778 0.098
64 HB2 CYS 11 HB2 CYS 11 7.837 -0.421 -1.460
65 HB3 CYS 11 HB1 CYS 11 6.446 -1.278 -2.116
66 H MET 12 HN MET 12 4.545 -2.187 -0.607
67 HA MET 12 HA MET 12 2.245 -0.856 -1.643
68 HB2 MET 12 HB2 MET 12 2.575 -3.654 -0.542
69 HB3 MET 12 HB1 MET 12 1.130 -3.063 -1.353
70 HG2 MET 12 HG2 MET 12 2.532 -2.604 -3.362
71 HG3 MET 12 HG1 MET 12 3.876 -3.391 -2.540
72 HE1 MET 12 HE1 MET 12 2.596 -7.067 -2.202
73 HE2 MET 12 HE2 MET 12 2.435 -5.774 -1.014
74 HE3 MET 12 HE3 MET 12 3.935 -5.954 -1.924
75 H ASN 13 HN ASN 13 3.314 -1.828 1.534
76 HA ASN 13 HA ASN 13 0.895 -1.510 2.917
77 HB2 ASN 13 HB2 ASN 13 3.751 -1.114 3.818
78 HB3 ASN 13 HB1 ASN 13 2.376 -1.023 4.911
79 HD21 ASN 13 HD21 ASN 13 4.608 -2.840 4.963
80 HD22 ASN 13 HD22 ASN 13 3.939 -4.438 4.851
81 H PHE 14 HN PHE 14 3.561 0.853 2.502
82 HA PHE 14 HA PHE 14 2.043 2.895 3.811
83 HB2 PHE 14 HB2 PHE 14 3.957 4.135 3.828
84 HB3 PHE 14 HB1 PHE 14 4.685 2.569 3.513
85 HD1 PHE 14 HD2 PHE 14 5.374 1.984 1.197
86 HD2 PHE 14 HD1 PHE 14 4.113 5.904 2.268
87 HE1 PHE 14 HE2 PHE 14 6.434 2.875 -0.837
88 HE2 PHE 14 HE1 PHE 14 5.167 6.801 0.236
89 HZ PHE 14 HZ PHE 14 6.323 5.324 -1.307
90 H CYS 15 HN CYS 15 2.729 2.095 0.443
91 HA CYS 15 HA CYS 15 1.754 4.564 -0.588
92 HB2 CYS 15 HB2 CYS 15 3.338 3.206 -1.865
93 HB3 CYS 15 HB1 CYS 15 2.154 1.910 -1.979
94 H HIS 16 HN HIS 16 0.260 1.496 0.186
95 HA HIS 16 HA HIS 16 -2.229 2.368 -1.085
96 HB2 HIS 16 HB2 HIS 16 -1.312 -0.294 -0.011
97 HB3 HIS 16 HB1 HIS 16 -2.995 0.011 -0.442
98 HD1 HIS 16 HD1 HIS 16 -3.177 1.013 -3.077
99 HD2 HIS 16 HD2 HIS 16 0.113 -1.316 -2.046
100 HE1 HIS 16 HE1 HIS 16 -2.248 0.148 -5.249
101 HE2 HIS 16 HE2 HIS 16 -0.159 -1.111 -4.616
102 H LYS 17 HN LYS 17 -0.755 2.794 1.779
103 HA LYS 17 HA LYS 17 -1.389 3.385 3.873
104 HB2 LYS 17 HB2 LYS 17 -3.823 4.204 2.302
105 HB3 LYS 17 HB1 LYS 17 -3.637 4.553 4.013
106 HG2 LYS 17 HG2 LYS 17 -1.547 5.782 3.485
107 HG3 LYS 17 HG1 LYS 17 -1.880 5.519 1.771
108 HD2 LYS 17 HD2 LYS 17 -3.956 6.751 1.946
109 HD3 LYS 17 HD1 LYS 17 -3.736 6.929 3.687
110 HE2 LYS 17 HE2 LYS 17 -3.110 8.983 2.615
111 HE3 LYS 17 HE1 LYS 17 -1.660 8.208 3.246
112 HZ1 LYS 17 HZ1 LYS 17 -2.573 8.200 0.416
113 HZ2 LYS 17 HZ2 LYS 17 -1.222 7.360 0.997
114 HZ3 LYS 17 HZ3 LYS 17 -1.251 9.054 1.049
115 H ASP 18 HN ASP 18 -1.502 0.775 3.773
116 HA ASP 18 HA ASP 18 -2.283 -1.062 4.836
117 HB2 ASP 18 HB2 ASP 18 -3.861 1.049 6.292
118 HB3 ASP 18 HB1 ASP 18 -3.970 -0.655 6.686
119 H VAL 19 HN VAL 19 -3.829 0.343 2.528
120 HA VAL 19 HA VAL 19 -5.670 0.008 1.273
121 HB VAL 19 HB VAL 19 -5.904 -2.553 2.845
122 HG11 VAL 19 HG11 VAL 19 -7.184 -1.746 0.240
123 HG12 VAL 19 HG12 VAL 19 -8.012 -1.964 1.780
124 HG13 VAL 19 HG13 VAL 19 -7.274 -3.347 0.975
125 HG21 VAL 19 HG21 VAL 19 -4.813 -3.593 0.915
126 HG22 VAL 19 HG22 VAL 19 -3.786 -2.345 1.623
127 HG23 VAL 19 HG23 VAL 19 -4.684 -2.014 0.140
128 H ILE 20 HN ILE 20 -6.348 1.845 2.581
129 HA ILE 20 HA ILE 20 -8.463 1.387 4.506
130 HB ILE 20 HB ILE 20 -6.868 3.272 4.761
131 HG12 ILE 20 HG12 ILE 20 -8.563 4.985 5.309
132 HG13 ILE 20 HG11 ILE 20 -9.768 4.072 4.413
133 HG21 ILE 20 HG21 ILE 20 -8.278 4.381 2.338
134 HG22 ILE 20 HG22 ILE 20 -6.601 3.847 2.417
135 HG23 ILE 20 HG23 ILE 20 -7.120 5.255 3.344
136 HD11 ILE 20 HD11 ILE 20 -9.979 3.710 6.800
137 HD12 ILE 20 HD12 ILE 20 -8.312 3.141 6.875
138 HD13 ILE 20 HD13 ILE 20 -9.521 2.220 5.979
139 H TRP 21 HN TRP 21 -8.094 1.639 1.181
140 HA TRP 21 HA TRP 21 -10.680 2.746 0.567
141 HB2 TRP 21 HB2 TRP 21 -9.889 1.863 -1.806
142 HB3 TRP 21 HB1 TRP 21 -9.227 3.332 -1.102
143 HD1 TRP 21 HD1 TRP 21 -6.690 3.283 -0.309
144 HE1 TRP 21 HE1 TRP 21 -4.747 1.679 -0.792
145 HE3 TRP 21 HE3 TRP 21 -9.332 -0.650 -2.218
146 HZ2 TRP 21 HZ2 TRP 21 -4.375 -0.906 -1.850
147 HZ3 TRP 21 HZ3 TRP 21 -8.105 -2.653 -2.949
148 HH2 TRP 21 HH2 TRP 21 -5.675 -2.776 -2.766
149 H VAL 22 HN VAL 22 -11.280 0.776 2.152
150 HA VAL 22 HA VAL 22 -11.763 -1.705 0.724
151 HB VAL 22 HB VAL 22 -13.009 -1.118 3.372
152 HG11 VAL 22 HG11 VAL 22 -11.650 -3.549 2.217
153 HG12 VAL 22 HG12 VAL 22 -13.388 -3.283 2.357
154 HG13 VAL 22 HG13 VAL 22 -12.404 -3.460 3.810
155 HG21 VAL 22 HG21 VAL 22 -10.759 -0.154 3.495
156 HG22 VAL 22 HG22 VAL 22 -10.081 -1.720 3.049
157 HG23 VAL 22 HG23 VAL 22 -10.962 -1.542 4.566
158 H ASN 23 HN ASN 23 -12.971 1.026 0.242
159 HA ASN 23 HA ASN 23 -14.846 1.893 -0.662
160 HB2 ASN 23 HB2 ASN 23 -15.837 -0.963 -0.545
161 HB3 ASN 23 HB1 ASN 23 -16.703 0.362 -1.311
162 HD21 ASN 23 HD21 ASN 23 -14.261 1.634 -2.285
163 HD22 ASN 23 HD22 ASN 23 -13.716 0.667 -3.610
164 H ARG 24 HN ARG 24 -14.366 1.230 2.266
165 HA ARG 24 HA ARG 24 -16.610 2.714 3.209
166 HB2 ARG 24 HB2 ARG 24 -17.338 1.115 4.922
167 HB3 ARG 24 HB1 ARG 24 -17.579 0.454 3.314
168 HG2 ARG 24 HG2 ARG 24 -16.740 -1.358 4.444
169 HG3 ARG 24 HG1 ARG 24 -15.272 -0.687 3.732
170 HD2 ARG 24 HD2 ARG 24 -14.781 0.456 5.847
171 HD3 ARG 24 HD1 ARG 24 -16.245 -0.226 6.552
172 HE ARG 24 HE ARG 24 -14.777 -2.372 5.634
173 HH11 ARG 24 HH11 ARG 24 -14.279 0.245 7.927
174 HH12 ARG 24 HH12 ARG 24 -13.272 -0.707 8.979
175 HH21 ARG 24 HH21 ARG 24 -13.414 -3.605 7.010
176 HH22 ARG 24 HH22 ARG 24 -12.761 -2.872 8.443
177 H ASN 25 HN ASN 25 -16.198 3.508 5.389
178 HA ASN 25 HA ASN 25 -13.328 3.347 6.037
179 HB2 ASN 25 HB2 ASN 25 -14.319 5.609 5.420
180 HB3 ASN 25 HB1 ASN 25 -15.233 5.511 6.923
181 HD21 ASN 25 HD21 ASN 25 -14.136 5.628 8.892
182 HD22 ASN 25 HD22 ASN 25 -12.508 6.222 8.999
Start of MODEL 9
1 H1 CYS 1 HT1 CYS 1 2.269 4.955 -5.881
2 H2 CYS 1 HT2 CYS 1 2.680 6.598 -5.998
3 H3 CYS 1 HT3 CYS 1 1.383 6.119 -5.016
4 HA CYS 1 HA CYS 1 3.313 6.670 -3.707
5 HB2 CYS 1 HB2 CYS 1 3.453 4.519 -2.439
6 HB3 CYS 1 HB1 CYS 1 1.806 5.030 -2.786
7 H SER 2 HN SER 2 5.425 6.971 -3.830
8 HA SER 2 HA SER 2 6.965 5.461 -5.781
9 HB2 SER 2 HB2 SER 2 7.680 7.860 -4.076
10 HB3 SER 2 HB1 SER 2 8.749 7.130 -5.275
11 HG SER 2 HG SER 2 7.797 8.520 -6.550
12 H CYS 3 HN CYS 3 7.589 3.521 -5.048
13 HA CYS 3 HA CYS 3 8.726 3.309 -2.371
14 HB2 CYS 3 HB2 CYS 3 8.116 1.180 -4.440
15 HB3 CYS 3 HB1 CYS 3 8.712 0.879 -2.810
16 H THR 4 HN THR 4 10.728 4.164 -2.416
17 HA THR 4 HA THR 4 12.555 3.291 -4.543
18 HB THR 4 HB THR 4 12.763 5.847 -2.994
19 HG1 THR 4 HG1 THR 4 11.484 5.242 -5.450
20 HG21 THR 4 HG21 THR 4 14.320 6.495 -4.786
21 HG22 THR 4 HG22 THR 4 14.113 4.906 -5.521
22 HG23 THR 4 HG23 THR 4 14.871 5.050 -3.936
23 H ASP 5 HN ASP 5 14.192 2.098 -3.888
24 HA ASP 5 HA ASP 5 15.734 1.053 -2.598
25 HB2 ASP 5 HB2 ASP 5 16.467 3.416 -2.168
26 HB3 ASP 5 HB1 ASP 5 15.460 3.418 -0.724
27 H MET 6 HN MET 6 12.777 0.935 -2.164
28 HA MET 6 HA MET 6 12.732 -0.104 0.576
29 HB2 MET 6 HB2 MET 6 11.307 1.891 0.106
30 HB3 MET 6 HB1 MET 6 10.422 0.931 -1.067
31 HG2 MET 6 HG2 MET 6 9.431 -0.363 0.547
32 HG3 MET 6 HG1 MET 6 10.687 -0.012 1.726
33 HE1 MET 6 HE1 MET 6 7.808 1.753 -0.377
34 HE2 MET 6 HE2 MET 6 9.221 2.803 -0.454
35 HE3 MET 6 HE3 MET 6 7.789 3.318 0.436
36 H SER 7 HN SER 7 12.131 -2.174 0.883
37 HA SER 7 HA SER 7 12.154 -3.808 -1.496
38 HB2 SER 7 HB2 SER 7 12.305 -4.605 1.415
39 HB3 SER 7 HB1 SER 7 12.610 -5.655 0.031
40 HG SER 7 HG SER 7 14.086 -3.316 0.719
41 H ASP 8 HN ASP 8 10.268 -3.967 -2.388
42 HA ASP 8 HA ASP 8 8.020 -4.401 -2.718
43 HB2 ASP 8 HB2 ASP 8 9.281 -6.907 -1.642
44 HB3 ASP 8 HB1 ASP 8 7.682 -6.886 -2.374
45 H LEU 9 HN LEU 9 8.477 -6.337 0.204
46 HA LEU 9 HA LEU 9 5.807 -6.224 1.009
47 HB2 LEU 9 HB2 LEU 9 7.396 -7.878 1.852
48 HB3 LEU 9 HB1 LEU 9 8.280 -6.619 2.690
49 HG LEU 9 HG LEU 9 6.281 -6.207 4.105
50 HD11 LEU 9 HD11 LEU 9 4.577 -7.030 2.568
51 HD12 LEU 9 HD12 LEU 9 4.487 -7.856 4.125
52 HD13 LEU 9 HD13 LEU 9 5.210 -8.669 2.736
53 HD21 LEU 9 HD21 LEU 9 6.531 -8.223 5.460
54 HD22 LEU 9 HD22 LEU 9 8.093 -7.651 4.870
55 HD23 LEU 9 HD23 LEU 9 7.316 -9.039 4.106
56 H GLU 10 HN GLU 10 8.566 -4.220 1.997
57 HA GLU 10 HA GLU 10 7.127 -2.659 3.880
58 HB2 GLU 10 HB2 GLU 10 9.704 -2.934 3.509
59 HB3 GLU 10 HB1 GLU 10 9.504 -1.599 2.383
60 HG2 GLU 10 HG2 GLU 10 10.200 -0.831 4.589
61 HG3 GLU 10 HG1 GLU 10 8.611 -0.200 4.152
62 H CYS 11 HN CYS 11 7.649 -2.422 0.436
63 HA CYS 11 HA CYS 11 6.582 0.149 -0.036
64 HB2 CYS 11 HB2 CYS 11 7.789 -1.078 -1.768
65 HB3 CYS 11 HB1 CYS 11 6.573 -2.348 -1.749
66 H MET 12 HN MET 12 5.092 -3.063 0.150
67 HA MET 12 HA MET 12 2.479 -2.127 -0.410
68 HB2 MET 12 HB2 MET 12 3.384 -4.656 0.981
69 HB3 MET 12 HB1 MET 12 1.732 -4.331 0.475
70 HG2 MET 12 HG2 MET 12 2.617 -4.085 -1.868
71 HG3 MET 12 HG1 MET 12 4.150 -4.706 -1.263
72 HE1 MET 12 HE1 MET 12 3.188 -6.850 0.904
73 HE2 MET 12 HE2 MET 12 4.473 -7.154 -0.266
74 HE3 MET 12 HE3 MET 12 3.158 -8.313 -0.080
75 H ASN 13 HN ASN 13 4.282 -2.648 2.581
76 HA ASN 13 HA ASN 13 2.216 -2.250 4.413
77 HB2 ASN 13 HB2 ASN 13 5.136 -1.489 4.631
78 HB3 ASN 13 HB1 ASN 13 4.003 -1.431 5.973
79 HD21 ASN 13 HD21 ASN 13 6.415 -2.934 5.785
80 HD22 ASN 13 HD22 ASN 13 5.985 -4.609 5.921
81 H PHE 14 HN PHE 14 4.140 0.091 2.621
82 HA PHE 14 HA PHE 14 2.974 2.288 4.129
83 HB2 PHE 14 HB2 PHE 14 4.940 3.267 3.766
84 HB3 PHE 14 HB1 PHE 14 5.458 1.847 2.875
85 HD1 PHE 14 HD2 PHE 14 5.054 1.793 0.371
86 HD2 PHE 14 HD1 PHE 14 4.650 5.323 2.712
87 HE1 PHE 14 HE2 PHE 14 5.226 3.163 -1.666
88 HE2 PHE 14 HE1 PHE 14 4.818 6.695 0.683
89 HZ PHE 14 HZ PHE 14 5.232 5.615 -1.500
90 H CYS 15 HN CYS 15 2.604 0.774 1.010
91 HA CYS 15 HA CYS 15 1.126 3.082 0.005
92 HB2 CYS 15 HB2 CYS 15 2.792 1.848 -1.424
93 HB3 CYS 15 HB1 CYS 15 1.682 0.482 -1.430
94 H HIS 16 HN HIS 16 0.516 -0.075 1.344
95 HA HIS 16 HA HIS 16 -2.177 -0.193 0.275
96 HB2 HIS 16 HB2 HIS 16 -0.561 -2.008 2.031
97 HB3 HIS 16 HB1 HIS 16 -2.301 -2.226 1.894
98 HD1 HIS 16 HD1 HIS 16 -2.195 -4.444 0.663
99 HD2 HIS 16 HD2 HIS 16 -0.090 -1.400 -1.244
100 HE1 HIS 16 HE1 HIS 16 -1.571 -5.357 -1.600
101 HE2 HIS 16 HE2 HIS 16 -0.468 -3.437 -2.799
102 H LYS 17 HN LYS 17 -1.081 1.828 2.404
103 HA LYS 17 HA LYS 17 -3.192 1.471 4.381
104 HB2 LYS 17 HB2 LYS 17 -2.194 3.368 5.563
105 HB3 LYS 17 HB1 LYS 17 -0.976 2.144 5.224
106 HG2 LYS 17 HG2 LYS 17 -0.012 3.415 3.510
107 HG3 LYS 17 HG1 LYS 17 -1.408 4.489 3.413
108 HD2 LYS 17 HD2 LYS 17 -0.880 5.365 5.640
109 HD3 LYS 17 HD1 LYS 17 0.526 4.297 5.722
110 HE2 LYS 17 HE2 LYS 17 1.111 6.601 5.061
111 HE3 LYS 17 HE1 LYS 17 1.532 5.409 3.833
112 HZ1 LYS 17 HZ1 LYS 17 0.537 7.284 2.779
113 HZ2 LYS 17 HZ2 LYS 17 -0.804 7.247 3.813
114 HZ3 LYS 17 HZ3 LYS 17 -0.568 6.003 2.682
115 H ASP 18 HN ASP 18 -3.066 2.492 1.434
116 HA ASP 18 HA ASP 18 -4.999 4.662 1.881
117 HB2 ASP 18 HB2 ASP 18 -3.077 4.265 -0.417
118 HB3 ASP 18 HB1 ASP 18 -4.345 5.463 -0.372
119 H VAL 19 HN VAL 19 -5.249 1.665 1.616
120 HA VAL 19 HA VAL 19 -6.459 1.125 -0.876
121 HB VAL 19 HB VAL 19 -7.351 -0.912 0.159
122 HG11 VAL 19 HG11 VAL 19 -4.474 -0.348 0.847
123 HG12 VAL 19 HG12 VAL 19 -5.083 -0.884 -0.718
124 HG13 VAL 19 HG13 VAL 19 -5.203 -1.946 0.684
125 HG21 VAL 19 HG21 VAL 19 -6.144 0.176 2.692
126 HG22 VAL 19 HG22 VAL 19 -6.802 -1.447 2.481
127 HG23 VAL 19 HG23 VAL 19 -7.863 -0.044 2.366
128 H ILE 20 HN ILE 20 -8.339 1.740 -1.631
129 HA ILE 20 HA ILE 20 -10.125 3.251 0.023
130 HB ILE 20 HB ILE 20 -9.542 3.427 -2.578
131 HG12 ILE 20 HG12 ILE 20 -11.582 4.815 -2.811
132 HG13 ILE 20 HG11 ILE 20 -12.197 4.121 -1.312
133 HG21 ILE 20 HG21 ILE 20 -11.394 2.638 -3.960
134 HG22 ILE 20 HG22 ILE 20 -12.117 1.858 -2.551
135 HG23 ILE 20 HG23 ILE 20 -10.566 1.293 -3.171
136 HD11 ILE 20 HD11 ILE 20 -10.310 5.070 -0.094
137 HD12 ILE 20 HD12 ILE 20 -11.214 6.320 -0.951
138 HD13 ILE 20 HD13 ILE 20 -9.675 5.744 -1.597
139 H TRP 21 HN TRP 21 -9.820 0.002 -0.878
140 HA TRP 21 HA TRP 21 -12.594 -0.673 -0.308
141 HB2 TRP 21 HB2 TRP 21 -11.651 -3.041 -0.815
142 HB3 TRP 21 HB1 TRP 21 -11.847 -1.893 -2.131
143 HD1 TRP 21 HD1 TRP 21 -9.615 -0.880 -3.232
144 HE1 TRP 21 HE1 TRP 21 -7.175 -1.709 -3.240
145 HE3 TRP 21 HE3 TRP 21 -9.902 -4.255 0.590
146 HZ2 TRP 21 HZ2 TRP 21 -5.594 -3.569 -1.822
147 HZ3 TRP 21 HZ3 TRP 21 -7.888 -5.531 1.196
148 HH2 TRP 21 HH2 TRP 21 -5.779 -5.192 0.013
149 H VAL 22 HN VAL 22 -11.016 0.423 1.753
150 HA VAL 22 HA VAL 22 -9.974 -1.536 3.487
151 HB VAL 22 HB VAL 22 -9.252 0.702 3.791
152 HG11 VAL 22 HG11 VAL 22 -12.122 1.473 4.296
153 HG12 VAL 22 HG12 VAL 22 -11.197 1.827 2.835
154 HG13 VAL 22 HG13 VAL 22 -10.725 2.550 4.375
155 HG21 VAL 22 HG21 VAL 22 -9.717 1.123 6.154
156 HG22 VAL 22 HG22 VAL 22 -9.418 -0.590 5.850
157 HG23 VAL 22 HG23 VAL 22 -11.066 -0.010 6.091
158 H ASN 23 HN ASN 23 -11.293 -3.192 3.887
159 HA ASN 23 HA ASN 23 -13.411 -2.715 5.808
160 HB2 ASN 23 HB2 ASN 23 -14.618 -2.818 3.660
161 HB3 ASN 23 HB1 ASN 23 -13.859 -4.366 3.311
162 HD21 ASN 23 HD21 ASN 23 -16.287 -2.708 5.141
163 HD22 ASN 23 HD22 ASN 23 -17.064 -4.124 5.782
164 H ARG 24 HN ARG 24 -12.600 -5.545 3.896
165 HA ARG 24 HA ARG 24 -10.674 -6.648 5.618
166 HB2 ARG 24 HB2 ARG 24 -12.905 -6.841 6.969
167 HB3 ARG 24 HB1 ARG 24 -13.283 -8.134 5.841
168 HG2 ARG 24 HG2 ARG 24 -11.292 -9.344 6.526
169 HG3 ARG 24 HG1 ARG 24 -10.852 -8.028 7.615
170 HD2 ARG 24 HD2 ARG 24 -13.106 -8.403 8.728
171 HD3 ARG 24 HD1 ARG 24 -13.196 -9.900 7.802
172 HE ARG 24 HE ARG 24 -10.799 -9.526 9.398
173 HH11 ARG 24 HH11 ARG 24 -13.969 -10.980 9.112
174 HH12 ARG 24 HH12 ARG 24 -13.703 -12.111 10.409
175 HH21 ARG 24 HH21 ARG 24 -10.448 -10.994 11.110
176 HH22 ARG 24 HH22 ARG 24 -11.706 -12.117 11.551
177 H ASN 25 HN ASN 25 -9.560 -7.327 3.862
178 HA ASN 25 HA ASN 25 -11.013 -8.837 1.802
179 HB2 ASN 25 HB2 ASN 25 -9.653 -6.847 1.108
180 HB3 ASN 25 HB1 ASN 25 -8.215 -7.705 1.656
181 HD21 ASN 25 HD21 ASN 25 -10.712 -7.537 -0.750
182 HD22 ASN 25 HD22 ASN 25 -9.988 -8.641 -1.873
Start of MODEL 10
1 H1 CYS 1 HT1 CYS 1 1.599 6.218 -6.427
2 H2 CYS 1 HT2 CYS 1 2.175 5.049 -7.505
3 H3 CYS 1 HT3 CYS 1 3.125 6.403 -7.143
4 HA CYS 1 HA CYS 1 3.203 5.662 -4.808
5 HB2 CYS 1 HB2 CYS 1 1.214 4.227 -4.867
6 HB3 CYS 1 HB1 CYS 1 1.999 3.163 -6.031
7 H SER 2 HN SER 2 5.336 5.925 -5.049
8 HA SER 2 HA SER 2 6.806 4.023 -6.753
9 HB2 SER 2 HB2 SER 2 7.673 6.744 -5.746
10 HB3 SER 2 HB1 SER 2 8.569 5.714 -6.860
11 HG SER 2 HG SER 2 6.358 5.881 -8.054
12 H CYS 3 HN CYS 3 8.396 2.772 -5.899
13 HA CYS 3 HA CYS 3 8.633 2.799 -2.987
14 HB2 CYS 3 HB2 CYS 3 9.702 0.679 -4.837
15 HB3 CYS 3 HB1 CYS 3 9.326 0.544 -3.127
16 H THR 4 HN THR 4 10.247 4.052 -2.295
17 HA THR 4 HA THR 4 12.869 3.736 -3.588
18 HB THR 4 HB THR 4 11.919 6.214 -2.191
19 HG1 THR 4 HG1 THR 4 11.583 5.335 -4.798
20 HG21 THR 4 HG21 THR 4 14.340 5.940 -2.186
21 HG22 THR 4 HG22 THR 4 13.880 7.243 -3.284
22 HG23 THR 4 HG23 THR 4 14.325 5.665 -3.929
23 H ASP 5 HN ASP 5 14.392 2.950 -2.310
24 HA ASP 5 HA ASP 5 15.468 2.119 -0.485
25 HB2 ASP 5 HB2 ASP 5 13.979 4.334 0.933
26 HB3 ASP 5 HB1 ASP 5 15.174 3.309 1.714
27 H MET 6 HN MET 6 12.666 1.341 -1.270
28 HA MET 6 HA MET 6 11.874 -0.001 1.219
29 HB2 MET 6 HB2 MET 6 10.396 1.751 -0.439
30 HB3 MET 6 HB1 MET 6 9.728 0.137 -0.668
31 HG2 MET 6 HG2 MET 6 8.507 1.001 1.091
32 HG3 MET 6 HG1 MET 6 9.713 -0.015 1.864
33 HE1 MET 6 HE1 MET 6 8.377 3.620 1.342
34 HE2 MET 6 HE2 MET 6 9.810 3.562 0.312
35 HE3 MET 6 HE3 MET 6 9.800 4.582 1.753
36 H SER 7 HN SER 7 11.339 -2.185 1.070
37 HA SER 7 HA SER 7 12.080 -3.567 -1.333
38 HB2 SER 7 HB2 SER 7 12.657 -4.437 0.951
39 HB3 SER 7 HB1 SER 7 10.937 -4.658 1.258
40 HG SER 7 HG SER 7 12.217 -6.534 0.453
41 H ASP 8 HN ASP 8 10.345 -5.515 -1.607
42 HA ASP 8 HA ASP 8 8.251 -4.134 -2.960
43 HB2 ASP 8 HB2 ASP 8 7.648 -6.187 -3.942
44 HB3 ASP 8 HB1 ASP 8 9.395 -6.267 -3.762
45 H LEU 9 HN LEU 9 8.359 -6.269 -0.141
46 HA LEU 9 HA LEU 9 5.555 -6.117 0.360
47 HB2 LEU 9 HB2 LEU 9 6.930 -7.968 1.214
48 HB3 LEU 9 HB1 LEU 9 7.817 -6.845 2.229
49 HG LEU 9 HG LEU 9 5.688 -6.324 3.426
50 HD11 LEU 9 HD11 LEU 9 3.823 -7.910 3.173
51 HD12 LEU 9 HD12 LEU 9 4.641 -8.626 1.784
52 HD13 LEU 9 HD13 LEU 9 4.099 -6.948 1.721
53 HD21 LEU 9 HD21 LEU 9 6.557 -9.211 3.441
54 HD22 LEU 9 HD22 LEU 9 5.641 -8.401 4.713
55 HD23 LEU 9 HD23 LEU 9 7.292 -7.895 4.355
56 H GLU 10 HN GLU 10 8.399 -4.436 1.617
57 HA GLU 10 HA GLU 10 7.086 -2.946 3.601
58 HB2 GLU 10 HB2 GLU 10 9.572 -3.287 3.366
59 HB3 GLU 10 HB1 GLU 10 9.547 -2.084 2.084
60 HG2 GLU 10 HG2 GLU 10 10.240 -1.090 4.177
61 HG3 GLU 10 HG1 GLU 10 8.692 -0.423 3.659
62 H CYS 11 HN CYS 11 7.667 -2.323 0.183
63 HA CYS 11 HA CYS 11 6.689 0.318 0.128
64 HB2 CYS 11 HB2 CYS 11 7.967 -0.778 -1.731
65 HB3 CYS 11 HB1 CYS 11 6.523 -1.718 -2.103
66 H MET 12 HN MET 12 5.103 -2.818 -0.210
67 HA MET 12 HA MET 12 2.547 -1.722 -0.796
68 HB2 MET 12 HB2 MET 12 3.355 -4.445 0.227
69 HB3 MET 12 HB1 MET 12 1.707 -4.009 -0.213
70 HG2 MET 12 HG2 MET 12 2.554 -3.443 -2.492
71 HG3 MET 12 HG1 MET 12 4.109 -4.118 -2.012
72 HE1 MET 12 HE1 MET 12 3.323 -6.573 -0.218
73 HE2 MET 12 HE2 MET 12 4.545 -6.635 -1.487
74 HE3 MET 12 HE3 MET 12 3.284 -7.866 -1.418
75 H ASN 13 HN ASN 13 4.300 -2.341 2.139
76 HA ASN 13 HA ASN 13 2.164 -2.248 3.955
77 HB2 ASN 13 HB2 ASN 13 5.051 -1.423 4.255
78 HB3 ASN 13 HB1 ASN 13 3.904 -1.366 5.587
79 HD21 ASN 13 HD21 ASN 13 6.325 -2.886 5.327
80 HD22 ASN 13 HD22 ASN 13 5.878 -4.557 5.485
81 H PHE 14 HN PHE 14 4.397 0.416 3.085
82 HA PHE 14 HA PHE 14 2.791 2.325 4.451
83 HB2 PHE 14 HB2 PHE 14 4.384 3.925 3.872
84 HB3 PHE 14 HB1 PHE 14 5.326 2.444 3.895
85 HD1 PHE 14 HD2 PHE 14 6.160 1.467 1.831
86 HD2 PHE 14 HD1 PHE 14 3.986 5.125 1.814
87 HE1 PHE 14 HE2 PHE 14 6.939 1.912 -0.457
88 HE2 PHE 14 HE1 PHE 14 4.752 5.564 -0.485
89 HZ PHE 14 HZ PHE 14 6.268 4.048 -1.588
90 H CYS 15 HN CYS 15 2.766 1.080 1.219
91 HA CYS 15 HA CYS 15 1.306 3.336 0.142
92 HB2 CYS 15 HB2 CYS 15 3.022 2.037 -1.147
93 HB3 CYS 15 HB1 CYS 15 1.896 0.685 -1.181
94 H HIS 16 HN HIS 16 0.563 0.077 1.281
95 HA HIS 16 HA HIS 16 -2.165 0.367 0.239
96 HB2 HIS 16 HB2 HIS 16 -0.671 -2.075 1.188
97 HB3 HIS 16 HB1 HIS 16 -2.385 -2.083 0.791
98 HD1 HIS 16 HD1 HIS 16 -0.511 -3.889 -0.768
99 HD2 HIS 16 HD2 HIS 16 -1.475 -0.012 -1.937
100 HE1 HIS 16 HE1 HIS 16 -0.112 -3.807 -3.252
101 HE2 HIS 16 HE2 HIS 16 -0.928 -1.529 -3.961
102 H LYS 17 HN LYS 17 -0.654 1.151 3.006
103 HA LYS 17 HA LYS 17 -2.691 0.231 4.826
104 HB2 LYS 17 HB2 LYS 17 -1.592 1.569 6.508
105 HB3 LYS 17 HB1 LYS 17 -0.383 0.643 5.623
106 HG2 LYS 17 HG2 LYS 17 0.148 2.617 4.287
107 HG3 LYS 17 HG1 LYS 17 -1.068 3.541 5.171
108 HD2 LYS 17 HD2 LYS 17 0.207 2.992 7.272
109 HD3 LYS 17 HD1 LYS 17 1.487 2.356 6.236
110 HE2 LYS 17 HE2 LYS 17 1.965 4.651 6.881
111 HE3 LYS 17 HE1 LYS 17 1.674 4.543 5.144
112 HZ1 LYS 17 HZ1 LYS 17 0.551 6.445 6.148
113 HZ2 LYS 17 HZ2 LYS 17 -0.322 5.409 7.168
114 HZ3 LYS 17 HZ3 LYS 17 -0.569 5.351 5.489
115 H ASP 18 HN ASP 18 -2.529 2.408 2.514
116 HA ASP 18 HA ASP 18 -4.901 3.786 3.509
117 HB2 ASP 18 HB2 ASP 18 -2.653 5.088 1.977
118 HB3 ASP 18 HB1 ASP 18 -4.165 5.843 2.424
119 H VAL 19 HN VAL 19 -5.973 2.189 2.277
120 HA VAL 19 HA VAL 19 -5.210 1.603 -0.370
121 HB VAL 19 HB VAL 19 -7.203 0.280 -0.565
122 HG11 VAL 19 HG11 VAL 19 -5.922 0.111 2.151
123 HG12 VAL 19 HG12 VAL 19 -5.350 -0.636 0.659
124 HG13 VAL 19 HG13 VAL 19 -6.863 -1.174 1.387
125 HG21 VAL 19 HG21 VAL 19 -8.877 0.193 1.209
126 HG22 VAL 19 HG22 VAL 19 -8.808 1.784 0.448
127 HG23 VAL 19 HG23 VAL 19 -8.071 1.529 2.029
128 H ILE 20 HN ILE 20 -5.175 3.045 -1.878
129 HA ILE 20 HA ILE 20 -7.098 5.144 -2.117
130 HB ILE 20 HB ILE 20 -4.669 5.214 -2.889
131 HG12 ILE 20 HG12 ILE 20 -5.216 6.629 -4.860
132 HG13 ILE 20 HG11 ILE 20 -6.873 6.044 -4.786
133 HG21 ILE 20 HG21 ILE 20 -4.256 4.443 -5.190
134 HG22 ILE 20 HG22 ILE 20 -5.846 3.671 -5.190
135 HG23 ILE 20 HG23 ILE 20 -4.595 3.120 -4.076
136 HD11 ILE 20 HD11 ILE 20 -5.455 7.595 -2.636
137 HD12 ILE 20 HD12 ILE 20 -7.118 7.018 -2.570
138 HD13 ILE 20 HD13 ILE 20 -6.653 8.235 -3.759
139 H TRP 21 HN TRP 21 -6.947 1.890 -2.994
140 HA TRP 21 HA TRP 21 -8.675 2.110 -5.284
141 HB2 TRP 21 HB2 TRP 21 -8.533 -0.408 -5.271
142 HB3 TRP 21 HB1 TRP 21 -7.028 0.459 -5.490
143 HD1 TRP 21 HD1 TRP 21 -5.101 -0.011 -3.818
144 HE1 TRP 21 HE1 TRP 21 -4.814 -1.618 -1.824
145 HE3 TRP 21 HE3 TRP 21 -9.959 -1.451 -3.213
146 HZ2 TRP 21 HZ2 TRP 21 -6.432 -3.273 -0.217
147 HZ3 TRP 21 HZ3 TRP 21 -10.514 -3.048 -1.428
148 HH2 TRP 21 HH2 TRP 21 -8.782 -3.939 0.043
149 H VAL 22 HN VAL 22 -9.488 2.863 -2.560
150 HA VAL 22 HA VAL 22 -11.534 1.072 -1.749
151 HB VAL 22 HB VAL 22 -10.529 2.634 -0.163
152 HG11 VAL 22 HG11 VAL 22 -10.107 4.452 -1.744
153 HG12 VAL 22 HG12 VAL 22 -10.935 5.026 -0.293
154 HG13 VAL 22 HG13 VAL 22 -11.836 4.807 -1.796
155 HG21 VAL 22 HG21 VAL 22 -13.462 3.198 -0.614
156 HG22 VAL 22 HG22 VAL 22 -12.572 3.527 0.874
157 HG23 VAL 22 HG23 VAL 22 -12.786 1.866 0.321
158 H ASN 23 HN ASN 23 -11.177 3.294 -4.147
159 HA ASN 23 HA ASN 23 -14.034 3.611 -4.655
160 HB2 ASN 23 HB2 ASN 23 -13.291 5.156 -6.486
161 HB3 ASN 23 HB1 ASN 23 -12.807 5.659 -4.875
162 HD21 ASN 23 HD21 ASN 23 -11.294 3.258 -7.024
163 HD22 ASN 23 HD22 ASN 23 -9.778 4.083 -7.154
164 H ARG 24 HN ARG 24 -12.069 1.244 -5.024
165 HA ARG 24 HA ARG 24 -11.820 -0.553 -6.356
166 HB2 ARG 24 HB2 ARG 24 -14.448 0.415 -7.481
167 HB3 ARG 24 HB1 ARG 24 -13.735 -1.159 -7.816
168 HG2 ARG 24 HG2 ARG 24 -13.776 -1.612 -5.356
169 HG3 ARG 24 HG1 ARG 24 -14.692 -0.116 -5.163
170 HD2 ARG 24 HD2 ARG 24 -16.211 -1.982 -5.232
171 HD3 ARG 24 HD1 ARG 24 -16.410 -1.009 -6.689
172 HE ARG 24 HE ARG 24 -14.627 -3.308 -6.874
173 HH11 ARG 24 HH11 ARG 24 -17.758 -1.897 -7.524
174 HH12 ARG 24 HH12 ARG 24 -18.226 -3.123 -8.666
175 HH21 ARG 24 HH21 ARG 24 -15.220 -4.928 -8.378
176 HH22 ARG 24 HH22 ARG 24 -16.778 -4.868 -9.138
177 H ASN 25 HN ASN 25 -10.256 1.448 -7.121
178 HA ASN 25 HA ASN 25 -9.692 0.818 -9.821
179 HB2 ASN 25 HB2 ASN 25 -11.531 2.496 -10.154
180 HB3 ASN 25 HB1 ASN 25 -10.530 3.686 -9.324
181 HD21 ASN 25 HD21 ASN 25 -10.396 5.008 -11.119
182 HD22 ASN 25 HD22 ASN 25 -9.477 4.587 -12.524
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