NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
12392 |
1sx1   |
6191 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 10.035 -3.544 3.165
2 2H LYS 1 2HT LYS 1 11.214 -2.336 3.471
3 3H LYS 1 3HT LYS 1 11.285 -3.262 2.027
4 HA LYS 1 HA LYS 1 9.284 -1.254 2.804
5 1HB LYS 1 2HB LYS 1 11.546 -0.588 1.875
6 2HB LYS 1 1HB LYS 1 11.099 -1.424 0.395
7 1HG LYS 1 2HG LYS 1 9.029 0.411 1.204
8 2HG LYS 1 1HG LYS 1 10.586 1.229 1.056
9 1HD LYS 1 2HD LYS 1 10.592 -0.311 -1.179
10 2HD LYS 1 1HD LYS 1 8.869 0.031 -1.011
11 1HE LYS 1 2HE LYS 1 9.127 2.243 -1.434
12 2HE LYS 1 1HE LYS 1 10.709 2.317 -0.659
13 1HZ LYS 1 1HZ LYS 1 10.374 0.893 -3.216
14 2HZ LYS 1 2HZ LYS 1 11.768 1.591 -2.561
15 3HZ LYS 1 3HZ LYS 1 10.550 2.576 -3.198
16 H VAL 2 H VAL 2 7.399 -1.167 1.656
17 HA VAL 2 HA VAL 2 6.940 -3.314 -0.315
18 HB VAL 2 HB VAL 2 5.759 -3.766 1.814
19 1HG1 VAL 2 1HG1 VAL 2 3.780 -2.297 2.344
20 2HG1 VAL 2 2HG1 VAL 2 4.463 -1.107 1.234
21 3HG1 VAL 2 3HG1 VAL 2 5.360 -1.587 2.675
22 1HG2 VAL 2 1HG2 VAL 2 3.659 -4.322 0.844
23 2HG2 VAL 2 2HG2 VAL 2 4.861 -4.436 -0.442
24 3HG2 VAL 2 3HG2 VAL 2 3.797 -3.033 -0.352
25 H GLY 3 H GLY 3 5.264 -2.868 -1.900
26 1HA GLY 3 2HA GLY 3 5.429 -0.140 -2.845
27 2HA GLY 3 1HA GLY 3 4.651 -1.488 -3.666
28 H ARG 4 H ARG 4 4.284 0.938 -1.160
29 HA ARG 4 HA ARG 4 1.908 0.527 -0.041
30 1HB ARG 4 2HB ARG 4 1.532 3.144 -0.527
31 2HB ARG 4 1HB ARG 4 2.623 2.520 0.699
32 1HG ARG 4 2HG ARG 4 4.308 2.578 -1.375
33 2HG ARG 4 1HG ARG 4 3.210 3.871 -1.857
34 1HD ARG 4 2HD ARG 4 3.569 5.007 0.237
35 2HD ARG 4 1HD ARG 4 4.547 3.667 0.832
36 HE ARG 4 HE ARG 4 5.769 4.525 -1.483
37 1HH1 ARG 4 1HH1 ARG 4 4.946 5.920 1.608
38 2HH1 ARG 4 2HH1 ARG 4 6.272 7.033 1.600
39 1HH2 ARG 4 1HH2 ARG 4 7.515 5.989 -1.496
40 2HH2 ARG 4 2HH2 ARG 4 7.730 7.073 -0.162
41 H ASN 5 H ASN 5 2.301 1.287 -3.422
42 HA ASN 5 HA ASN 5 -0.413 1.957 -3.932
43 1HB ASN 5 2HB ASN 5 1.781 2.321 -5.360
44 2HB ASN 5 1HB ASN 5 1.311 0.777 -6.064
45 1HD2 ASN 5 1HD2 ASN 5 -0.485 0.655 -7.353
46 2HD2 ASN 5 2HD2 ASN 5 -1.334 2.049 -7.921
47 H ASP 6 H ASP 6 0.792 -0.915 -2.900
48 HA ASP 6 HA ASP 6 -1.084 -2.525 -4.482
49 1HB ASP 6 2HB ASP 6 1.159 -3.385 -4.624
50 2HB ASP 6 1HB ASP 6 1.364 -3.292 -2.879
51 HA PRO 7 HA PRO 7 -3.972 -2.968 -1.178
52 1HB PRO 7 2HB PRO 7 -4.207 -5.782 -1.324
53 2HB PRO 7 1HB PRO 7 -5.229 -4.590 -2.127
54 1HG PRO 7 2HG PRO 7 -2.917 -6.129 -3.191
55 2HG PRO 7 1HG PRO 7 -4.381 -5.574 -4.023
56 1HD PRO 7 2HD PRO 7 -2.030 -4.361 -4.409
57 2HD PRO 7 1HD PRO 7 -3.540 -3.426 -4.328
58 H CYS 8 H CYS 8 -3.474 -2.848 0.896
59 HA CYS 8 HA CYS 8 -1.224 -3.484 2.204
60 1HB CYS 8 2HB CYS 8 -3.447 -2.385 3.033
61 2HB CYS 8 1HB CYS 8 -3.811 -4.002 3.625
62 HA PRO 9 HA PRO 9 -0.730 -7.899 2.160
63 1HB PRO 9 2HB PRO 9 0.865 -8.096 4.402
64 2HB PRO 9 1HB PRO 9 1.450 -7.680 2.789
65 1HG PRO 9 2HG PRO 9 0.790 -5.887 5.087
66 2HG PRO 9 1HG PRO 9 2.143 -5.794 3.944
67 1HD PRO 9 2HD PRO 9 0.004 -4.197 3.710
68 2HD PRO 9 1HD PRO 9 0.835 -4.843 2.281
69 H CYS 10 H CYS 10 -1.976 -6.129 4.884
70 HA CYS 10 HA CYS 10 -2.568 -8.211 6.640
71 1HB CYS 10 2HB CYS 10 -4.182 -6.721 7.649
72 2HB CYS 10 1HB CYS 10 -2.766 -5.789 7.176
73 H GLY 11 H GLY 11 -4.157 -7.193 3.704
74 1HA GLY 11 2HA GLY 11 -5.599 -8.492 2.406
75 2HA GLY 11 1HA GLY 11 -5.766 -9.611 3.750
76 H SER 12 H SER 12 -6.262 -6.134 3.946
77 HA SER 12 HA SER 12 -8.971 -6.609 4.893
78 1HB SER 12 2HB SER 12 -8.938 -4.315 5.646
79 2HB SER 12 1HB SER 12 -7.414 -5.071 6.110
80 HG SER 12 HG SER 12 -7.039 -3.038 5.192
81 H GLY 13 H GLY 13 -7.300 -4.901 2.285
82 1HA GLY 13 2HA GLY 13 -8.686 -5.183 0.137
83 2HA GLY 13 1HA GLY 13 -9.912 -4.317 1.051
84 H LYS 14 H LYS 14 -7.858 -2.637 2.371
85 HA LYS 14 HA LYS 14 -7.616 -0.674 0.234
86 1HB LYS 14 2HB LYS 14 -6.858 -0.301 3.129
87 2HB LYS 14 1HB LYS 14 -7.238 0.939 1.942
88 1HG LYS 14 2HG LYS 14 -9.255 0.949 2.894
89 2HG LYS 14 1HG LYS 14 -9.536 -0.520 1.957
90 1HD LYS 14 2HD LYS 14 -10.051 -1.382 3.982
91 2HD LYS 14 1HD LYS 14 -8.300 -1.565 4.112
92 1HE LYS 14 2HE LYS 14 -8.508 0.931 5.012
93 2HE LYS 14 1HE LYS 14 -10.120 0.364 5.443
94 1HZ LYS 14 1HZ LYS 14 -7.938 -1.411 6.151
95 2HZ LYS 14 2HZ LYS 14 -9.315 -0.981 7.035
96 3HZ LYS 14 3HZ LYS 14 -7.978 0.056 6.994
97 H LYS 15 H LYS 15 -5.641 0.430 -0.221
98 HA LYS 15 HA LYS 15 -3.371 -1.313 -0.248
99 1HB LYS 15 2HB LYS 15 -2.250 0.456 -1.485
100 2HB LYS 15 1HB LYS 15 -3.864 0.189 -2.130
101 1HG LYS 15 2HG LYS 15 -4.036 2.192 -0.130
102 2HG LYS 15 1HG LYS 15 -2.700 2.597 -1.208
103 1HD LYS 15 2HD LYS 15 -4.406 3.559 -2.374
104 2HD LYS 15 1HD LYS 15 -4.487 1.933 -3.053
105 1HE LYS 15 2HE LYS 15 -6.435 1.441 -2.000
106 2HE LYS 15 1HE LYS 15 -6.046 2.424 -0.590
107 1HZ LYS 15 1HZ LYS 15 -7.874 3.127 -2.351
108 2HZ LYS 15 2HZ LYS 15 -6.531 3.839 -3.093
109 3HZ LYS 15 3HZ LYS 15 -6.946 4.267 -1.510
110 H TYR 16 H TYR 16 -1.200 -0.577 0.463
111 HA TYR 16 HA TYR 16 -0.993 -0.284 3.166
112 1HB TYR 16 2HB TYR 16 0.768 -0.555 1.100
113 2HB TYR 16 1HB TYR 16 1.163 1.058 1.683
114 HD1 TYR 16 1HD TYR 16 0.054 -1.897 3.651
115 HD2 TYR 16 2HD TYR 16 3.234 0.768 2.706
116 HE1 TYR 16 1HE TYR 16 1.407 -2.887 5.451
117 HE2 TYR 16 2HE TYR 16 4.597 -0.212 4.508
118 HH TYR 16 HH TYR 16 3.753 -3.115 6.079
119 H LYS 17 H LYS 17 -0.429 2.390 0.864
120 HA LYS 17 HA LYS 17 -0.101 4.438 2.661
121 1HB LYS 17 2HB LYS 17 -0.589 5.954 0.894
122 2HB LYS 17 1HB LYS 17 0.182 4.550 0.169
123 1HG LYS 17 2HG LYS 17 -1.550 4.216 -1.169
124 2HG LYS 17 1HG LYS 17 -2.670 4.205 0.194
125 1HD LYS 17 2HD LYS 17 -3.363 5.963 -1.241
126 2HD LYS 17 1HD LYS 17 -2.576 6.724 0.143
127 1HE LYS 17 2HE LYS 17 -0.801 7.443 -1.087
128 2HE LYS 17 1HE LYS 17 -0.878 6.076 -2.197
129 1HZ LYS 17 1HZ LYS 17 -1.612 8.512 -2.884
130 2HZ LYS 17 2HZ LYS 17 -3.095 7.967 -2.281
131 3HZ LYS 17 3HZ LYS 17 -2.337 7.132 -3.540
132 H GLN 18 H GLN 18 -3.052 2.813 1.853
133 HA GLN 18 HA GLN 18 -4.658 4.895 3.135
134 1HB GLN 18 2HB GLN 18 -5.127 3.266 0.955
135 2HB GLN 18 1HB GLN 18 -6.074 2.507 2.228
136 1HG GLN 18 2HG GLN 18 -6.698 5.144 2.548
137 2HG GLN 18 1HG GLN 18 -6.494 5.021 0.801
138 1HE2 GLN 18 1HE2 GLN 18 -8.270 3.832 3.568
139 2HE2 GLN 18 2HE2 GLN 18 -9.613 3.202 2.681
140 H CYS 19 H CYS 19 -3.493 1.653 3.650
141 HA CYS 19 HA CYS 19 -5.122 1.464 6.081
142 1HB CYS 19 2HB CYS 19 -5.236 -0.311 4.264
143 2HB CYS 19 1HB CYS 19 -3.622 -0.797 4.770
144 H HIS 20 H HIS 20 -2.685 -0.786 6.325
145 HA HIS 20 HA HIS 20 -1.534 0.404 8.575
146 1HB HIS 20 2HB HIS 20 -0.685 -1.893 6.827
147 2HB HIS 20 1HB HIS 20 0.281 -1.382 8.206
148 HD2 HIS 20 2HD HIS 20 -0.851 -1.862 10.721
149 HE1 HIS 20 1HE HIS 20 -3.954 -4.306 9.203
150 HE2 HIS 20 2HE HIS 20 -2.636 -3.662 11.270
151 H GLY 21 H GLY 21 -0.472 0.358 5.203
152 1HA GLY 21 2HA GLY 21 2.110 1.255 5.399
153 2HA GLY 21 1HA GLY 21 1.022 1.733 4.108
154 H ARG 22 H ARG 22 -0.788 3.070 6.071
155 HA ARG 22 HA ARG 22 0.798 5.208 7.190
156 1HB ARG 22 2HB ARG 22 -0.606 5.479 4.611
157 2HB ARG 22 1HB ARG 22 -0.916 6.770 5.763
158 1HG ARG 22 2HG ARG 22 1.904 5.969 5.336
159 2HG ARG 22 1HG ARG 22 1.095 6.851 4.039
160 1HD ARG 22 2HD ARG 22 0.426 8.558 5.752
161 2HD ARG 22 1HD ARG 22 1.473 7.723 6.898
162 HE ARG 22 HE ARG 22 2.987 8.278 4.630
163 1HH1 ARG 22 1HH1 ARG 22 1.339 10.029 7.159
164 2HH1 ARG 22 2HH1 ARG 22 2.419 11.381 7.099
165 1HH2 ARG 22 1HH2 ARG 22 4.409 10.055 4.549
166 2HH2 ARG 22 2HH2 ARG 22 4.162 11.397 5.617
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 11.889 -1.392 2.071
2 2H LYS 1 2HT LYS 1 11.429 -1.709 0.447
3 3H LYS 1 3HT LYS 1 11.314 -2.945 1.632
4 HA LYS 1 HA LYS 1 9.638 -1.757 2.783
5 1HB LYS 1 2HB LYS 1 8.732 0.319 1.667
6 2HB LYS 1 1HB LYS 1 10.326 0.493 2.389
7 1HG LYS 1 2HG LYS 1 11.392 0.531 0.311
8 2HG LYS 1 1HG LYS 1 9.987 -0.141 -0.521
9 1HD LYS 1 2HD LYS 1 9.803 2.068 -1.110
10 2HD LYS 1 1HD LYS 1 8.829 2.050 0.361
11 1HE LYS 1 2HE LYS 1 10.621 2.955 1.647
12 2HE LYS 1 1HE LYS 1 11.757 2.750 0.315
13 1HZ LYS 1 1HZ LYS 1 10.429 4.374 -0.953
14 2HZ LYS 1 2HZ LYS 1 11.104 5.034 0.450
15 3HZ LYS 1 3HZ LYS 1 9.462 4.631 0.412
16 H VAL 2 H VAL 2 7.354 -1.131 1.642
17 HA VAL 2 HA VAL 2 6.959 -3.184 -0.437
18 HB VAL 2 HB VAL 2 5.863 -3.736 1.703
19 1HG1 VAL 2 1HG1 VAL 2 4.493 -1.091 1.263
20 2HG1 VAL 2 2HG1 VAL 2 5.414 -1.627 2.669
21 3HG1 VAL 2 3HG1 VAL 2 3.838 -2.341 2.323
22 1HG2 VAL 2 1HG2 VAL 2 3.975 -4.567 0.721
23 2HG2 VAL 2 2HG2 VAL 2 4.866 -4.095 -0.726
24 3HG2 VAL 2 3HG2 VAL 2 3.595 -3.049 -0.093
25 H GLY 3 H GLY 3 5.505 -2.761 -2.128
26 1HA GLY 3 2HA GLY 3 5.418 -0.027 -2.971
27 2HA GLY 3 1HA GLY 3 4.686 -1.397 -3.800
28 H ARG 4 H ARG 4 4.266 0.890 -1.160
29 HA ARG 4 HA ARG 4 1.929 0.364 -0.040
30 1HB ARG 4 2HB ARG 4 1.440 2.981 -0.425
31 2HB ARG 4 1HB ARG 4 2.577 2.358 0.758
32 1HG ARG 4 2HG ARG 4 4.198 2.559 -1.381
33 2HG ARG 4 1HG ARG 4 3.055 3.855 -1.730
34 1HD ARG 4 2HD ARG 4 3.439 4.737 0.550
35 2HD ARG 4 1HD ARG 4 4.662 3.491 0.791
36 HE ARG 4 HE ARG 4 4.927 5.917 -0.735
37 1HH1 ARG 4 1HH1 ARG 4 6.139 2.678 -0.269
38 2HH1 ARG 4 2HH1 ARG 4 7.692 3.027 -0.951
39 1HH2 ARG 4 1HH2 ARG 4 6.969 6.378 -1.631
40 2HH2 ARG 4 2HH2 ARG 4 8.164 5.128 -1.723
41 H ASN 5 H ASN 5 2.212 1.380 -3.382
42 HA ASN 5 HA ASN 5 -0.488 1.976 -3.867
43 1HB ASN 5 2HB ASN 5 1.655 2.309 -5.344
44 2HB ASN 5 1HB ASN 5 1.219 0.728 -5.985
45 1HD2 ASN 5 1HD2 ASN 5 0.554 4.068 -5.982
46 2HD2 ASN 5 2HD2 ASN 5 -0.769 4.042 -7.093
47 H ASP 6 H ASP 6 0.851 -0.974 -3.008
48 HA ASP 6 HA ASP 6 -1.125 -2.552 -4.472
49 1HB ASP 6 2HB ASP 6 1.105 -3.443 -4.584
50 2HB ASP 6 1HB ASP 6 1.300 -3.325 -2.839
51 HA PRO 7 HA PRO 7 -4.027 -2.886 -1.167
52 1HB PRO 7 2HB PRO 7 -4.358 -5.684 -1.287
53 2HB PRO 7 1HB PRO 7 -5.325 -4.472 -2.127
54 1HG PRO 7 2HG PRO 7 -3.042 -6.101 -3.125
55 2HG PRO 7 1HG PRO 7 -4.482 -5.529 -3.988
56 1HD PRO 7 2HD PRO 7 -2.097 -4.381 -4.367
57 2HD PRO 7 1HD PRO 7 -3.584 -3.409 -4.326
58 H CYS 8 H CYS 8 -3.431 -2.693 0.877
59 HA CYS 8 HA CYS 8 -1.239 -3.402 2.204
60 1HB CYS 8 2HB CYS 8 -3.374 -2.218 3.058
61 2HB CYS 8 1HB CYS 8 -3.879 -3.820 3.583
62 HA PRO 9 HA PRO 9 -0.860 -7.828 2.174
63 1HB PRO 9 2HB PRO 9 0.828 -8.054 4.333
64 2HB PRO 9 1HB PRO 9 1.350 -7.635 2.699
65 1HG PRO 9 2HG PRO 9 0.809 -5.847 5.034
66 2HG PRO 9 1HG PRO 9 2.123 -5.771 3.845
67 1HD PRO 9 2HD PRO 9 0.000 -4.139 3.697
68 2HD PRO 9 1HD PRO 9 0.777 -4.784 2.236
69 H CYS 10 H CYS 10 -2.057 -6.003 4.860
70 HA CYS 10 HA CYS 10 -2.555 -8.016 6.720
71 1HB CYS 10 2HB CYS 10 -4.192 -6.535 7.694
72 2HB CYS 10 1HB CYS 10 -2.825 -5.576 7.138
73 H GLY 11 H GLY 11 -4.179 -7.252 3.738
74 1HA GLY 11 2HA GLY 11 -5.574 -8.707 2.549
75 2HA GLY 11 1HA GLY 11 -5.758 -9.681 3.999
76 H SER 12 H SER 12 -6.255 -6.220 3.963
77 HA SER 12 HA SER 12 -9.012 -6.637 4.797
78 1HB SER 12 2HB SER 12 -8.985 -4.260 5.386
79 2HB SER 12 1HB SER 12 -7.583 -5.078 6.074
80 HG SER 12 HG SER 12 -7.676 -3.027 4.319
81 H GLY 13 H GLY 13 -7.241 -4.794 2.322
82 1HA GLY 13 2HA GLY 13 -8.456 -5.199 0.062
83 2HA GLY 13 1HA GLY 13 -9.771 -4.375 0.886
84 H LYS 14 H LYS 14 -7.818 -2.634 2.326
85 HA LYS 14 HA LYS 14 -7.583 -0.636 0.231
86 1HB LYS 14 2HB LYS 14 -7.089 -0.489 3.209
87 2HB LYS 14 1HB LYS 14 -6.954 0.877 2.109
88 1HG LYS 14 2HG LYS 14 -9.442 0.035 1.515
89 2HG LYS 14 1HG LYS 14 -9.341 -0.440 3.213
90 1HD LYS 14 2HD LYS 14 -8.412 1.970 3.548
91 2HD LYS 14 1HD LYS 14 -9.182 2.286 1.991
92 1HE LYS 14 2HE LYS 14 -10.840 0.850 3.954
93 2HE LYS 14 1HE LYS 14 -10.425 2.508 4.387
94 1HZ LYS 14 1HZ LYS 14 -12.507 2.349 3.131
95 2HZ LYS 14 2HZ LYS 14 -11.669 1.688 1.818
96 3HZ LYS 14 3HZ LYS 14 -11.348 3.273 2.316
97 H LYS 15 H LYS 15 -5.652 0.469 -0.271
98 HA LYS 15 HA LYS 15 -3.352 -1.180 -0.415
99 1HB LYS 15 2HB LYS 15 -3.902 1.698 -1.087
100 2HB LYS 15 1HB LYS 15 -2.272 1.047 -1.188
101 1HG LYS 15 2HG LYS 15 -2.692 0.074 -3.135
102 2HG LYS 15 1HG LYS 15 -4.169 -0.671 -2.525
103 1HD LYS 15 2HD LYS 15 -4.462 2.193 -2.941
104 2HD LYS 15 1HD LYS 15 -4.004 1.343 -4.417
105 1HE LYS 15 2HE LYS 15 -6.125 0.091 -2.786
106 2HE LYS 15 1HE LYS 15 -6.545 1.608 -3.581
107 1HZ LYS 15 1HZ LYS 15 -5.373 0.331 -5.586
108 2HZ LYS 15 2HZ LYS 15 -7.030 0.217 -5.268
109 3HZ LYS 15 3HZ LYS 15 -5.982 -1.000 -4.738
110 H TYR 16 H TYR 16 -1.187 -0.564 0.390
111 HA TYR 16 HA TYR 16 -1.009 -0.493 3.118
112 1HB TYR 16 2HB TYR 16 0.789 -0.732 1.132
113 2HB TYR 16 1HB TYR 16 1.167 0.902 1.666
114 HD1 TYR 16 1HD TYR 16 0.079 -1.997 3.728
115 HD2 TYR 16 2HD TYR 16 3.244 0.655 2.700
116 HE1 TYR 16 1HE TYR 16 1.435 -2.918 5.561
117 HE2 TYR 16 2HE TYR 16 4.610 -0.258 4.531
118 HH TYR 16 HH TYR 16 3.309 -2.319 6.946
119 H LYS 17 H LYS 17 -0.159 2.328 1.101
120 HA LYS 17 HA LYS 17 0.000 4.207 3.106
121 1HB LYS 17 2HB LYS 17 -0.605 5.882 1.305
122 2HB LYS 17 1HB LYS 17 0.744 4.815 0.943
123 1HG LYS 17 2HG LYS 17 -0.305 3.877 -0.794
124 2HG LYS 17 1HG LYS 17 -1.851 3.799 0.054
125 1HD LYS 17 2HD LYS 17 -2.558 5.764 -0.797
126 2HD LYS 17 1HD LYS 17 -0.963 6.508 -0.670
127 1HE LYS 17 2HE LYS 17 -0.420 4.816 -2.630
128 2HE LYS 17 1HE LYS 17 -2.161 4.928 -2.887
129 1HZ LYS 17 1HZ LYS 17 -1.829 7.408 -2.887
130 2HZ LYS 17 2HZ LYS 17 -1.188 6.584 -4.218
131 3HZ LYS 17 3HZ LYS 17 -0.164 7.113 -2.981
132 H GLN 18 H GLN 18 -2.836 2.779 1.723
133 HA GLN 18 HA GLN 18 -4.618 4.779 2.856
134 1HB GLN 18 2HB GLN 18 -5.445 2.183 1.577
135 2HB GLN 18 1HB GLN 18 -6.369 3.673 1.716
136 1HG GLN 18 2HG GLN 18 -3.836 3.634 0.137
137 2HG GLN 18 1HG GLN 18 -5.327 3.005 -0.560
138 1HE2 GLN 18 1HE2 GLN 18 -6.681 4.389 -1.476
139 2HE2 GLN 18 2HE2 GLN 18 -6.603 6.110 -1.342
140 H CYS 19 H CYS 19 -3.242 1.754 3.723
141 HA CYS 19 HA CYS 19 -5.163 1.521 5.937
142 1HB CYS 19 2HB CYS 19 -5.171 -0.286 4.150
143 2HB CYS 19 1HB CYS 19 -3.593 -0.770 4.762
144 H HIS 20 H HIS 20 -2.755 -0.744 6.367
145 HA HIS 20 HA HIS 20 -1.733 0.550 8.655
146 1HB HIS 20 2HB HIS 20 -0.862 -1.922 7.165
147 2HB HIS 20 1HB HIS 20 -0.090 -1.382 8.652
148 HD2 HIS 20 2HD HIS 20 -2.017 -1.196 10.871
149 HE1 HIS 20 1HE HIS 20 -4.342 -4.303 9.183
150 HE2 HIS 20 2HE HIS 20 -3.775 -3.051 11.314
151 H GLY 21 H GLY 21 -0.734 0.600 5.343
152 1HA GLY 21 2HA GLY 21 1.972 1.032 5.451
153 2HA GLY 21 1HA GLY 21 0.912 1.842 4.312
154 H ARG 22 H ARG 22 -0.537 3.180 6.557
155 HA ARG 22 HA ARG 22 0.954 5.572 6.598
156 1HB ARG 22 2HB ARG 22 -1.627 5.004 7.042
157 2HB ARG 22 1HB ARG 22 -1.083 5.114 8.711
158 1HG ARG 22 2HG ARG 22 -0.328 7.295 6.842
159 2HG ARG 22 1HG ARG 22 -1.996 7.212 7.413
160 1HD ARG 22 2HD ARG 22 0.294 7.045 9.336
161 2HD ARG 22 1HD ARG 22 -0.276 8.606 8.750
162 HE ARG 22 HE ARG 22 -2.363 6.922 9.788
163 1HH1 ARG 22 1HH1 ARG 22 0.070 9.293 10.590
164 2HH1 ARG 22 2HH1 ARG 22 -0.735 9.814 12.032
165 1HH2 ARG 22 1HH2 ARG 22 -3.423 7.605 11.684
166 2HH2 ARG 22 2HH2 ARG 22 -2.717 8.856 12.653
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 11.610 -2.013 1.257
2 2H LYS 1 2HT LYS 1 10.910 -3.299 2.153
3 3H LYS 1 3HT LYS 1 11.579 -1.946 2.970
4 HA LYS 1 HA LYS 1 9.332 -1.607 3.053
5 1HB LYS 1 2HB LYS 1 10.804 -0.104 0.933
6 2HB LYS 1 1HB LYS 1 9.089 0.217 1.146
7 1HG LYS 1 2HG LYS 1 10.325 0.226 3.707
8 2HG LYS 1 1HG LYS 1 11.274 1.243 2.620
9 1HD LYS 1 2HD LYS 1 9.650 2.798 2.458
10 2HD LYS 1 1HD LYS 1 8.362 1.592 2.420
11 1HE LYS 1 2HE LYS 1 8.830 1.260 4.905
12 2HE LYS 1 1HE LYS 1 9.773 2.747 4.809
13 1HZ LYS 1 1HZ LYS 1 6.869 2.379 4.436
14 2HZ LYS 1 2HZ LYS 1 7.657 3.727 3.786
15 3HZ LYS 1 3HZ LYS 1 7.680 3.458 5.456
16 H VAL 2 H VAL 2 7.301 -1.139 1.696
17 HA VAL 2 HA VAL 2 7.034 -3.223 -0.374
18 HB VAL 2 HB VAL 2 5.830 -3.811 1.702
19 1HG1 VAL 2 1HG1 VAL 2 3.745 -2.457 2.207
20 2HG1 VAL 2 2HG1 VAL 2 4.441 -1.188 1.198
21 3HG1 VAL 2 3HG1 VAL 2 5.284 -1.719 2.654
22 1HG2 VAL 2 1HG2 VAL 2 3.750 -3.119 -0.341
23 2HG2 VAL 2 2HG2 VAL 2 3.905 -4.572 0.648
24 3HG2 VAL 2 3HG2 VAL 2 5.006 -4.304 -0.703
25 H GLY 3 H GLY 3 5.382 -2.834 -1.997
26 1HA GLY 3 2HA GLY 3 5.442 -0.110 -2.922
27 2HA GLY 3 1HA GLY 3 4.661 -1.469 -3.723
28 H ARG 4 H ARG 4 4.327 0.901 -1.148
29 HA ARG 4 HA ARG 4 1.962 0.463 -0.023
30 1HB ARG 4 2HB ARG 4 1.590 3.096 -0.415
31 2HB ARG 4 1HB ARG 4 2.693 2.428 0.775
32 1HG ARG 4 2HG ARG 4 4.356 2.552 -1.314
33 2HG ARG 4 1HG ARG 4 3.256 3.863 -1.740
34 1HD ARG 4 2HD ARG 4 3.701 5.015 0.266
35 2HD ARG 4 1HD ARG 4 4.481 3.608 0.987
36 HE ARG 4 HE ARG 4 5.673 5.542 -0.778
37 1HH1 ARG 4 1HH1 ARG 4 5.863 2.276 0.439
38 2HH1 ARG 4 2HH1 ARG 4 7.555 2.116 0.102
39 1HH2 ARG 4 1HH2 ARG 4 7.896 5.334 -1.222
40 2HH2 ARG 4 2HH2 ARG 4 8.709 3.852 -0.841
41 H ASN 5 H ASN 5 2.317 1.344 -3.384
42 HA ASN 5 HA ASN 5 -0.395 2.045 -3.840
43 1HB ASN 5 2HB ASN 5 1.700 2.516 -5.296
44 2HB ASN 5 1HB ASN 5 1.398 0.916 -5.969
45 1HD2 ASN 5 1HD2 ASN 5 0.855 4.103 -6.409
46 2HD2 ASN 5 2HD2 ASN 5 -0.578 4.032 -7.371
47 H ASP 6 H ASP 6 0.812 -0.875 -2.923
48 HA ASP 6 HA ASP 6 -1.101 -2.424 -4.520
49 1HB ASP 6 2HB ASP 6 1.135 -3.306 -4.664
50 2HB ASP 6 1HB ASP 6 1.325 -3.258 -2.916
51 HA PRO 7 HA PRO 7 -4.013 -2.895 -1.240
52 1HB PRO 7 2HB PRO 7 -4.265 -5.706 -1.424
53 2HB PRO 7 1HB PRO 7 -5.274 -4.497 -2.219
54 1HG PRO 7 2HG PRO 7 -2.963 -6.035 -3.287
55 2HG PRO 7 1HG PRO 7 -4.420 -5.463 -4.122
56 1HD PRO 7 2HD PRO 7 -2.064 -4.254 -4.480
57 2HD PRO 7 1HD PRO 7 -3.569 -3.313 -4.390
58 H CYS 8 H CYS 8 -3.497 -2.778 0.832
59 HA CYS 8 HA CYS 8 -1.260 -3.479 2.136
60 1HB CYS 8 2HB CYS 8 -3.411 -2.303 2.992
61 2HB CYS 8 1HB CYS 8 -3.886 -3.910 3.528
62 HA PRO 9 HA PRO 9 -0.952 -7.912 2.070
63 1HB PRO 9 2HB PRO 9 0.811 -8.195 4.147
64 2HB PRO 9 1HB PRO 9 1.281 -7.713 2.513
65 1HG PRO 9 2HG PRO 9 0.799 -6.009 4.926
66 2HG PRO 9 1HG PRO 9 2.093 -5.900 3.718
67 1HD PRO 9 2HD PRO 9 -0.032 -4.258 3.660
68 2HD PRO 9 1HD PRO 9 0.730 -4.847 2.169
69 H CYS 10 H CYS 10 -1.971 -6.092 4.847
70 HA CYS 10 HA CYS 10 -2.451 -8.110 6.695
71 1HB CYS 10 2HB CYS 10 -3.987 -6.606 7.765
72 2HB CYS 10 1HB CYS 10 -2.658 -5.652 7.118
73 H GLY 11 H GLY 11 -4.205 -7.257 3.809
74 1HA GLY 11 2HA GLY 11 -5.659 -8.702 2.661
75 2HA GLY 11 1HA GLY 11 -5.828 -9.659 4.124
76 H SER 12 H SER 12 -6.226 -6.178 4.031
77 HA SER 12 HA SER 12 -8.955 -6.498 4.992
78 1HB SER 12 2HB SER 12 -8.827 -4.041 5.400
79 2HB SER 12 1HB SER 12 -7.547 -4.942 6.210
80 HG SER 12 HG SER 12 -7.369 -3.020 4.297
81 H GLY 13 H GLY 13 -7.251 -4.771 2.387
82 1HA GLY 13 2HA GLY 13 -8.568 -5.210 0.193
83 2HA GLY 13 1HA GLY 13 -9.831 -4.339 1.048
84 H LYS 14 H LYS 14 -7.817 -2.587 2.359
85 HA LYS 14 HA LYS 14 -7.592 -0.674 0.178
86 1HB LYS 14 2HB LYS 14 -6.935 -0.309 3.107
87 2HB LYS 14 1HB LYS 14 -7.106 0.962 1.903
88 1HG LYS 14 2HG LYS 14 -9.494 0.222 1.618
89 2HG LYS 14 1HG LYS 14 -9.257 -0.806 3.034
90 1HD LYS 14 2HD LYS 14 -8.392 1.975 3.390
91 2HD LYS 14 1HD LYS 14 -10.123 1.779 3.105
92 1HE LYS 14 2HE LYS 14 -9.837 -0.138 4.901
93 2HE LYS 14 1HE LYS 14 -8.443 0.831 5.372
94 1HZ LYS 14 1HZ LYS 14 -10.287 1.551 6.651
95 2HZ LYS 14 2HZ LYS 14 -11.282 1.685 5.291
96 3HZ LYS 14 3HZ LYS 14 -9.995 2.761 5.504
97 H LYS 15 H LYS 15 -5.632 0.465 -0.278
98 HA LYS 15 HA LYS 15 -3.352 -1.236 -0.392
99 1HB LYS 15 2HB LYS 15 -3.709 1.689 -1.062
100 2HB LYS 15 1HB LYS 15 -2.229 0.790 -1.363
101 1HG LYS 15 2HG LYS 15 -3.026 0.021 -3.276
102 2HG LYS 15 1HG LYS 15 -4.447 -0.640 -2.464
103 1HD LYS 15 2HD LYS 15 -4.542 2.261 -2.777
104 2HD LYS 15 1HD LYS 15 -4.449 1.397 -4.313
105 1HE LYS 15 2HE LYS 15 -6.298 -0.077 -2.952
106 2HE LYS 15 1HE LYS 15 -6.629 1.551 -2.360
107 1HZ LYS 15 1HZ LYS 15 -7.384 2.218 -4.356
108 2HZ LYS 15 2HZ LYS 15 -7.658 0.566 -4.602
109 3HZ LYS 15 3HZ LYS 15 -6.267 1.293 -5.230
110 H TYR 16 H TYR 16 -1.182 -0.600 0.396
111 HA TYR 16 HA TYR 16 -0.994 -0.459 3.114
112 1HB TYR 16 2HB TYR 16 0.792 -0.665 1.080
113 2HB TYR 16 1HB TYR 16 1.182 0.938 1.690
114 HD1 TYR 16 1HD TYR 16 0.056 -2.033 3.622
115 HD2 TYR 16 2HD TYR 16 3.256 0.618 2.706
116 HE1 TYR 16 1HE TYR 16 1.399 -3.048 5.416
117 HE2 TYR 16 2HE TYR 16 4.608 -0.387 4.501
118 HH TYR 16 HH TYR 16 4.526 -2.890 5.685
119 H LYS 17 H LYS 17 -0.262 2.328 1.005
120 HA LYS 17 HA LYS 17 -0.042 4.261 2.951
121 1HB LYS 17 2HB LYS 17 -0.734 5.882 1.149
122 2HB LYS 17 1HB LYS 17 0.578 4.794 0.719
123 1HG LYS 17 2HG LYS 17 -1.612 3.400 -0.125
124 2HG LYS 17 1HG LYS 17 -2.091 5.070 -0.431
125 1HD LYS 17 2HD LYS 17 0.632 4.652 -1.255
126 2HD LYS 17 1HD LYS 17 -0.419 3.445 -1.998
127 1HE LYS 17 2HE LYS 17 -1.795 5.118 -2.971
128 2HE LYS 17 1HE LYS 17 -1.033 6.392 -2.019
129 1HZ LYS 17 1HZ LYS 17 0.735 4.844 -3.731
130 2HZ LYS 17 2HZ LYS 17 0.717 6.504 -3.410
131 3HZ LYS 17 3HZ LYS 17 -0.369 5.849 -4.529
132 H GLN 18 H GLN 18 -2.926 2.749 1.758
133 HA GLN 18 HA GLN 18 -4.669 4.764 2.926
134 1HB GLN 18 2HB GLN 18 -5.496 2.124 1.727
135 2HB GLN 18 1HB GLN 18 -6.475 3.571 1.937
136 1HG GLN 18 2HG GLN 18 -4.112 4.024 0.297
137 2HG GLN 18 1HG GLN 18 -5.202 2.806 -0.366
138 1HE2 GLN 18 1HE2 GLN 18 -6.801 3.518 -1.575
139 2HE2 GLN 18 2HE2 GLN 18 -7.442 5.122 -1.574
140 H CYS 19 H CYS 19 -3.545 1.508 3.556
141 HA CYS 19 HA CYS 19 -5.216 1.391 5.962
142 1HB CYS 19 2HB CYS 19 -5.276 -0.442 4.200
143 2HB CYS 19 1HB CYS 19 -3.663 -0.887 4.739
144 H HIS 20 H HIS 20 -2.751 -0.830 6.310
145 HA HIS 20 HA HIS 20 -1.673 0.305 8.582
146 1HB HIS 20 2HB HIS 20 -0.678 -1.788 6.680
147 2HB HIS 20 1HB HIS 20 0.343 -1.252 8.009
148 HD2 HIS 20 2HD HIS 20 -0.302 -2.218 10.479
149 HE1 HIS 20 1HE HIS 20 -3.708 -4.394 9.227
150 HE2 HIS 20 2HE HIS 20 -2.019 -4.065 11.088
151 H GLY 21 H GLY 21 -0.413 0.438 5.260
152 1HA GLY 21 2HA GLY 21 1.974 1.763 5.730
153 2HA GLY 21 1HA GLY 21 1.025 1.927 4.260
154 H ARG 22 H ARG 22 -1.244 3.180 5.234
155 HA ARG 22 HA ARG 22 -2.080 5.247 5.677
156 1HB ARG 22 2HB ARG 22 -0.475 4.570 7.856
157 2HB ARG 22 1HB ARG 22 0.006 6.212 7.454
158 1HG ARG 22 2HG ARG 22 -2.742 6.322 7.348
159 2HG ARG 22 1HG ARG 22 -2.429 5.230 8.697
160 1HD ARG 22 2HD ARG 22 -0.604 7.231 9.118
161 2HD ARG 22 1HD ARG 22 -1.985 8.110 8.464
162 HE ARG 22 HE ARG 22 -1.785 6.893 11.041
163 1HH1 ARG 22 1HH1 ARG 22 -4.022 7.764 8.507
164 2HH1 ARG 22 2HH1 ARG 22 -5.381 7.873 9.573
165 1HH2 ARG 22 1HH2 ARG 22 -3.571 7.038 12.445
166 2HH2 ARG 22 2HH2 ARG 22 -5.126 7.461 11.809
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 10.037 -3.861 2.718
2 2H LYS 1 2HT LYS 1 11.398 -2.861 2.411
3 3H LYS 1 3HT LYS 1 10.812 -3.916 1.190
4 HA LYS 1 HA LYS 1 9.186 -1.771 2.355
5 1HB LYS 1 2HB LYS 1 11.539 -1.490 0.827
6 2HB LYS 1 1HB LYS 1 10.207 -1.207 -0.284
7 1HG LYS 1 2HG LYS 1 9.883 0.159 2.271
8 2HG LYS 1 1HG LYS 1 11.328 0.651 1.385
9 1HD LYS 1 2HD LYS 1 10.138 1.679 -0.229
10 2HD LYS 1 1HD LYS 1 8.900 0.423 -0.252
11 1HE LYS 1 2HE LYS 1 7.576 1.531 1.187
12 2HE LYS 1 1HE LYS 1 8.933 2.048 2.187
13 1HZ LYS 1 1HZ LYS 1 7.753 3.357 -0.162
14 2HZ LYS 1 2HZ LYS 1 9.393 3.604 0.172
15 3HZ LYS 1 3HZ LYS 1 8.224 4.026 1.319
16 H VAL 2 H VAL 2 7.145 -2.031 1.751
17 HA VAL 2 HA VAL 2 6.550 -3.821 -0.501
18 HB VAL 2 HB VAL 2 5.527 -4.402 1.672
19 1HG1 VAL 2 1HG1 VAL 2 4.076 -1.770 1.372
20 2HG1 VAL 2 2HG1 VAL 2 5.291 -2.157 2.591
21 3HG1 VAL 2 3HG1 VAL 2 3.742 -2.998 2.594
22 1HG2 VAL 2 1HG2 VAL 2 4.383 -4.504 -0.769
23 2HG2 VAL 2 2HG2 VAL 2 3.166 -3.577 0.110
24 3HG2 VAL 2 3HG2 VAL 2 3.647 -5.173 0.688
25 H GLY 3 H GLY 3 5.101 -3.221 -2.133
26 1HA GLY 3 2HA GLY 3 5.205 -0.552 -2.994
27 2HA GLY 3 1HA GLY 3 4.109 -1.777 -3.622
28 H ARG 4 H ARG 4 4.486 0.894 -1.457
29 HA ARG 4 HA ARG 4 2.331 0.764 0.182
30 1HB ARG 4 2HB ARG 4 4.140 2.624 -0.193
31 2HB ARG 4 1HB ARG 4 2.875 3.365 -1.169
32 1HG ARG 4 2HG ARG 4 1.379 3.399 0.717
33 2HG ARG 4 1HG ARG 4 2.559 2.534 1.706
34 1HD ARG 4 2HD ARG 4 4.074 4.385 1.631
35 2HD ARG 4 1HD ARG 4 3.074 5.221 0.444
36 HE ARG 4 HE ARG 4 1.724 4.663 2.923
37 1HH1 ARG 4 1HH1 ARG 4 3.765 6.921 1.216
38 2HH1 ARG 4 2HH1 ARG 4 3.300 8.273 2.193
39 1HH2 ARG 4 1HH2 ARG 4 1.112 6.440 4.210
40 2HH2 ARG 4 2HH2 ARG 4 1.795 8.000 3.893
41 H ASN 5 H ASN 5 2.262 1.316 -3.253
42 HA ASN 5 HA ASN 5 -0.489 2.208 -3.229
43 1HB ASN 5 2HB ASN 5 1.408 2.895 -4.886
44 2HB ASN 5 1HB ASN 5 0.976 1.404 -5.719
45 1HD2 ASN 5 1HD2 ASN 5 0.655 3.457 -7.224
46 2HD2 ASN 5 2HD2 ASN 5 -0.990 3.971 -7.344
47 H ASP 6 H ASP 6 0.859 -0.732 -2.806
48 HA ASP 6 HA ASP 6 -1.115 -2.190 -4.403
49 1HB ASP 6 2HB ASP 6 1.130 -3.016 -4.666
50 2HB ASP 6 1HB ASP 6 1.366 -3.089 -2.925
51 HA PRO 7 HA PRO 7 -3.997 -2.980 -1.166
52 1HB PRO 7 2HB PRO 7 -3.965 -5.819 -1.464
53 2HB PRO 7 1HB PRO 7 -5.146 -4.678 -2.110
54 1HG PRO 7 2HG PRO 7 -2.806 -5.928 -3.431
55 2HG PRO 7 1HG PRO 7 -4.329 -5.359 -4.137
56 1HD PRO 7 2HD PRO 7 -2.043 -4.008 -4.487
57 2HD PRO 7 1HD PRO 7 -3.590 -3.161 -4.267
58 H CYS 8 H CYS 8 -3.423 -2.809 0.887
59 HA CYS 8 HA CYS 8 -1.156 -3.419 2.173
60 1HB CYS 8 2HB CYS 8 -3.415 -2.384 3.024
61 2HB CYS 8 1HB CYS 8 -3.698 -4.009 3.636
62 HA PRO 9 HA PRO 9 -0.584 -7.822 2.099
63 1HB PRO 9 2HB PRO 9 1.043 -8.011 4.314
64 2HB PRO 9 1HB PRO 9 1.599 -7.558 2.700
65 1HG PRO 9 2HG PRO 9 0.922 -5.813 5.032
66 2HG PRO 9 1HG PRO 9 2.264 -5.676 3.881
67 1HD PRO 9 2HD PRO 9 0.090 -4.123 3.684
68 2HD PRO 9 1HD PRO 9 0.925 -4.730 2.241
69 H CYS 10 H CYS 10 -1.817 -6.100 4.865
70 HA CYS 10 HA CYS 10 -2.350 -8.213 6.602
71 1HB CYS 10 2HB CYS 10 -3.997 -6.764 7.639
72 2HB CYS 10 1HB CYS 10 -2.580 -5.818 7.195
73 H GLY 11 H GLY 11 -4.177 -7.021 3.829
74 1HA GLY 11 2HA GLY 11 -5.537 -8.431 2.494
75 2HA GLY 11 1HA GLY 11 -5.713 -9.516 3.864
76 H SER 12 H SER 12 -6.172 -6.036 4.012
77 HA SER 12 HA SER 12 -8.895 -6.471 4.942
78 1HB SER 12 2HB SER 12 -6.890 -4.303 5.168
79 2HB SER 12 1HB SER 12 -8.575 -3.784 5.082
80 HG SER 12 HG SER 12 -9.022 -5.082 6.868
81 H GLY 13 H GLY 13 -7.184 -5.173 2.194
82 1HA GLY 13 2HA GLY 13 -8.502 -5.309 0.086
83 2HA GLY 13 1HA GLY 13 -9.784 -4.487 0.964
84 H LYS 14 H LYS 14 -7.811 -2.747 2.342
85 HA LYS 14 HA LYS 14 -7.619 -0.748 0.240
86 1HB LYS 14 2HB LYS 14 -7.186 -0.643 3.226
87 2HB LYS 14 1HB LYS 14 -6.889 0.728 2.168
88 1HG LYS 14 2HG LYS 14 -9.006 1.278 2.595
89 2HG LYS 14 1HG LYS 14 -9.419 0.003 1.447
90 1HD LYS 14 2HD LYS 14 -8.916 -0.997 4.141
91 2HD LYS 14 1HD LYS 14 -10.253 0.152 4.067
92 1HE LYS 14 2HE LYS 14 -10.195 -1.905 1.954
93 2HE LYS 14 1HE LYS 14 -10.514 -2.486 3.589
94 1HZ LYS 14 1HZ LYS 14 -12.153 -0.818 1.859
95 2HZ LYS 14 2HZ LYS 14 -12.153 -0.408 3.500
96 3HZ LYS 14 3HZ LYS 14 -12.615 -1.962 3.017
97 H LYS 15 H LYS 15 -5.685 0.376 -0.270
98 HA LYS 15 HA LYS 15 -3.378 -1.293 -0.380
99 1HB LYS 15 2HB LYS 15 -3.941 1.543 -1.205
100 2HB LYS 15 1HB LYS 15 -2.310 0.885 -1.284
101 1HG LYS 15 2HG LYS 15 -3.279 0.661 -3.436
102 2HG LYS 15 1HG LYS 15 -3.208 -0.950 -2.721
103 1HD LYS 15 2HD LYS 15 -5.346 -0.578 -3.842
104 2HD LYS 15 1HD LYS 15 -5.568 -0.783 -2.103
105 1HE LYS 15 2HE LYS 15 -6.446 1.257 -1.884
106 2HE LYS 15 1HE LYS 15 -5.154 1.995 -2.831
107 1HZ LYS 15 1HZ LYS 15 -6.542 0.787 -4.748
108 2HZ LYS 15 2HZ LYS 15 -6.833 2.379 -4.257
109 3HZ LYS 15 3HZ LYS 15 -7.795 1.121 -3.662
110 H TYR 16 H TYR 16 -1.190 -0.468 0.300
111 HA TYR 16 HA TYR 16 -0.950 -0.342 3.024
112 1HB TYR 16 2HB TYR 16 0.792 -0.439 0.928
113 2HB TYR 16 1HB TYR 16 1.124 1.164 1.574
114 HD1 TYR 16 1HD TYR 16 0.120 -1.778 3.592
115 HD2 TYR 16 2HD TYR 16 3.307 0.776 2.388
116 HE1 TYR 16 1HE TYR 16 1.555 -2.765 5.324
117 HE2 TYR 16 2HE TYR 16 4.751 -0.205 4.123
118 HH TYR 16 HH TYR 16 3.967 -3.052 5.775
119 H LYS 17 H LYS 17 -0.381 2.480 0.910
120 HA LYS 17 HA LYS 17 -0.254 4.410 2.878
121 1HB LYS 17 2HB LYS 17 -1.124 5.975 1.025
122 2HB LYS 17 1HB LYS 17 0.381 5.112 0.744
123 1HG LYS 17 2HG LYS 17 -0.444 4.062 -1.031
124 2HG LYS 17 1HG LYS 17 -1.912 3.597 -0.169
125 1HD LYS 17 2HD LYS 17 -2.975 5.018 -1.531
126 2HD LYS 17 1HD LYS 17 -2.253 6.302 -0.560
127 1HE LYS 17 2HE LYS 17 -0.461 6.571 -2.089
128 2HE LYS 17 1HE LYS 17 -0.875 5.083 -2.941
129 1HZ LYS 17 1HZ LYS 17 -2.886 7.208 -2.824
130 2HZ LYS 17 2HZ LYS 17 -2.579 6.079 -4.045
131 3HZ LYS 17 3HZ LYS 17 -1.568 7.422 -3.864
132 H GLN 18 H GLN 18 -3.043 2.774 1.642
133 HA GLN 18 HA GLN 18 -4.901 4.700 2.778
134 1HB GLN 18 2HB GLN 18 -5.547 2.020 1.554
135 2HB GLN 18 1HB GLN 18 -6.632 3.386 1.781
136 1HG GLN 18 2HG GLN 18 -4.271 3.972 0.149
137 2HG GLN 18 1HG GLN 18 -5.364 2.771 -0.537
138 1HE2 GLN 18 1HE2 GLN 18 -7.296 3.400 -1.342
139 2HE2 GLN 18 2HE2 GLN 18 -7.828 5.043 -1.412
140 H CYS 19 H CYS 19 -3.459 1.641 3.556
141 HA CYS 19 HA CYS 19 -5.199 1.433 5.916
142 1HB CYS 19 2HB CYS 19 -5.232 -0.415 4.168
143 2HB CYS 19 1HB CYS 19 -3.605 -0.821 4.701
144 H HIS 20 H HIS 20 -2.680 -0.728 6.263
145 HA HIS 20 HA HIS 20 -1.598 0.560 8.487
146 1HB HIS 20 2HB HIS 20 -0.615 -1.708 6.771
147 2HB HIS 20 1HB HIS 20 0.321 -1.123 8.142
148 HD2 HIS 20 2HD HIS 20 -0.746 -1.672 10.660
149 HE1 HIS 20 1HE HIS 20 -3.762 -4.249 9.185
150 HE2 HIS 20 2HE HIS 20 -2.677 -3.294 11.268
151 H GLY 21 H GLY 21 -0.423 0.395 5.144
152 1HA GLY 21 2HA GLY 21 2.046 1.619 5.461
153 2HA GLY 21 1HA GLY 21 1.065 1.727 4.007
154 H ARG 22 H ARG 22 -1.105 3.038 5.677
155 HA ARG 22 HA ARG 22 -0.549 5.692 5.038
156 1HB ARG 22 2HB ARG 22 -2.812 4.714 5.482
157 2HB ARG 22 1HB ARG 22 -2.434 4.741 7.199
158 1HG ARG 22 2HG ARG 22 -1.911 7.303 6.561
159 2HG ARG 22 1HG ARG 22 -3.175 6.935 5.387
160 1HD ARG 22 2HD ARG 22 -4.761 6.969 6.954
161 2HD ARG 22 1HD ARG 22 -3.828 5.916 8.018
162 HE ARG 22 HE ARG 22 -2.889 8.632 7.967
163 1HH1 ARG 22 1HH1 ARG 22 -5.146 6.414 9.437
164 2HH1 ARG 22 2HH1 ARG 22 -5.309 7.343 10.889
165 1HH2 ARG 22 1HH2 ARG 22 -3.100 9.856 9.876
166 2HH2 ARG 22 2HH2 ARG 22 -4.146 9.299 11.138
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 11.119 -4.077 1.244
2 2H LYS 1 2HT LYS 1 9.850 -4.599 2.274
3 3H LYS 1 3HT LYS 1 11.002 -3.458 2.837
4 HA LYS 1 HA LYS 1 9.172 -2.204 2.369
5 1HB LYS 1 2HB LYS 1 11.174 -2.256 0.125
6 2HB LYS 1 1HB LYS 1 9.862 -1.085 0.139
7 1HG LYS 1 2HG LYS 1 11.423 -1.274 2.627
8 2HG LYS 1 1HG LYS 1 12.286 -0.647 1.220
9 1HD LYS 1 2HD LYS 1 10.939 1.208 1.051
10 2HD LYS 1 1HD LYS 1 9.570 0.416 1.834
11 1HE LYS 1 2HE LYS 1 10.259 0.982 3.905
12 2HE LYS 1 1HE LYS 1 11.963 0.749 3.513
13 1HZ LYS 1 1HZ LYS 1 11.459 3.066 3.984
14 2HZ LYS 1 2HZ LYS 1 10.323 3.099 2.731
15 3HZ LYS 1 3HZ LYS 1 11.962 2.877 2.379
16 H VAL 2 H VAL 2 7.154 -2.106 1.575
17 HA VAL 2 HA VAL 2 6.464 -3.941 -0.628
18 HB VAL 2 HB VAL 2 5.437 -4.561 1.532
19 1HG1 VAL 2 1HG1 VAL 2 4.170 -1.828 1.344
20 2HG1 VAL 2 2HG1 VAL 2 5.266 -2.413 2.597
21 3HG1 VAL 2 3HG1 VAL 2 3.647 -3.098 2.452
22 1HG2 VAL 2 1HG2 VAL 2 3.546 -5.248 0.522
23 2HG2 VAL 2 2HG2 VAL 2 4.257 -4.502 -0.909
24 3HG2 VAL 2 3HG2 VAL 2 3.079 -3.611 0.055
25 H GLY 3 H GLY 3 5.043 -3.234 -2.236
26 1HA GLY 3 2HA GLY 3 5.213 -0.542 -2.999
27 2HA GLY 3 1HA GLY 3 4.072 -1.709 -3.657
28 H ARG 4 H ARG 4 4.543 0.895 -1.443
29 HA ARG 4 HA ARG 4 2.422 0.767 0.244
30 1HB ARG 4 2HB ARG 4 4.253 2.605 -0.141
31 2HB ARG 4 1HB ARG 4 2.970 3.388 -1.055
32 1HG ARG 4 2HG ARG 4 1.552 3.465 0.849
33 2HG ARG 4 1HG ARG 4 2.652 2.444 1.779
34 1HD ARG 4 2HD ARG 4 4.319 4.444 1.090
35 2HD ARG 4 1HD ARG 4 2.794 5.325 1.162
36 HE ARG 4 HE ARG 4 2.781 5.063 3.443
37 1HH1 ARG 4 1HH1 ARG 4 5.193 2.953 2.060
38 2HH1 ARG 4 2HH1 ARG 4 5.878 2.527 3.592
39 1HH2 ARG 4 1HH2 ARG 4 3.683 4.504 5.458
40 2HH2 ARG 4 2HH2 ARG 4 5.021 3.406 5.521
41 H ASN 5 H ASN 5 2.294 1.393 -3.176
42 HA ASN 5 HA ASN 5 -0.451 2.313 -3.063
43 1HB ASN 5 2HB ASN 5 1.157 3.263 -4.698
44 2HB ASN 5 1HB ASN 5 1.260 1.688 -5.479
45 1HD2 ASN 5 1HD2 ASN 5 -0.807 4.417 -4.796
46 2HD2 ASN 5 2HD2 ASN 5 -1.962 4.101 -6.042
47 H ASP 6 H ASP 6 0.887 -0.648 -2.779
48 HA ASP 6 HA ASP 6 -1.098 -2.039 -4.415
49 1HB ASP 6 2HB ASP 6 1.038 -2.974 -4.755
50 2HB ASP 6 1HB ASP 6 1.443 -2.899 -3.046
51 HA PRO 7 HA PRO 7 -4.024 -2.934 -1.247
52 1HB PRO 7 2HB PRO 7 -3.506 -5.782 -2.017
53 2HB PRO 7 1HB PRO 7 -5.046 -4.951 -1.765
54 1HG PRO 7 2HG PRO 7 -4.127 -5.403 -4.227
55 2HG PRO 7 1HG PRO 7 -4.968 -3.896 -3.825
56 1HD PRO 7 2HD PRO 7 -2.090 -4.372 -4.346
57 2HD PRO 7 1HD PRO 7 -3.051 -2.898 -4.571
58 H CYS 8 H CYS 8 -3.466 -2.760 0.812
59 HA CYS 8 HA CYS 8 -1.195 -3.423 2.104
60 1HB CYS 8 2HB CYS 8 -3.359 -2.244 2.949
61 2HB CYS 8 1HB CYS 8 -3.801 -3.845 3.532
62 HA PRO 9 HA PRO 9 -0.890 -7.856 2.099
63 1HB PRO 9 2HB PRO 9 0.866 -8.114 4.184
64 2HB PRO 9 1HB PRO 9 1.342 -7.658 2.546
65 1HG PRO 9 2HG PRO 9 0.865 -5.919 4.934
66 2HG PRO 9 1HG PRO 9 2.156 -5.828 3.722
67 1HD PRO 9 2HD PRO 9 0.031 -4.185 3.650
68 2HD PRO 9 1HD PRO 9 0.793 -4.788 2.166
69 H CYS 10 H CYS 10 -1.943 -5.999 4.832
70 HA CYS 10 HA CYS 10 -2.416 -7.988 6.714
71 1HB CYS 10 2HB CYS 10 -4.010 -6.479 7.726
72 2HB CYS 10 1HB CYS 10 -2.642 -5.547 7.129
73 H GLY 11 H GLY 11 -4.098 -7.280 3.762
74 1HA GLY 11 2HA GLY 11 -5.547 -8.744 2.652
75 2HA GLY 11 1HA GLY 11 -5.721 -9.664 4.138
76 H SER 12 H SER 12 -6.144 -6.202 4.056
77 HA SER 12 HA SER 12 -8.906 -6.546 4.905
78 1HB SER 12 2HB SER 12 -8.825 -4.218 5.554
79 2HB SER 12 1HB SER 12 -7.355 -5.007 6.127
80 HG SER 12 HG SER 12 -7.638 -2.952 4.384
81 H GLY 13 H GLY 13 -7.060 -5.270 2.214
82 1HA GLY 13 2HA GLY 13 -8.244 -5.460 0.034
83 2HA GLY 13 1HA GLY 13 -9.607 -4.687 0.830
84 H LYS 14 H LYS 14 -7.800 -2.860 2.311
85 HA LYS 14 HA LYS 14 -7.619 -0.832 0.257
86 1HB LYS 14 2HB LYS 14 -7.290 -0.850 3.244
87 2HB LYS 14 1HB LYS 14 -6.789 0.543 2.295
88 1HG LYS 14 2HG LYS 14 -8.907 1.188 1.867
89 2HG LYS 14 1HG LYS 14 -9.507 -0.468 1.769
90 1HD LYS 14 2HD LYS 14 -9.338 -0.628 4.237
91 2HD LYS 14 1HD LYS 14 -8.856 1.069 4.283
92 1HE LYS 14 2HE LYS 14 -10.959 1.790 3.999
93 2HE LYS 14 1HE LYS 14 -11.302 0.585 2.759
94 1HZ LYS 14 1HZ LYS 14 -11.287 0.063 5.683
95 2HZ LYS 14 2HZ LYS 14 -11.687 -1.048 4.473
96 3HZ LYS 14 3HZ LYS 14 -12.675 0.297 4.744
97 H LYS 15 H LYS 15 -5.715 0.379 -0.210
98 HA LYS 15 HA LYS 15 -3.371 -1.234 -0.422
99 1HB LYS 15 2HB LYS 15 -3.804 1.700 -1.016
100 2HB LYS 15 1HB LYS 15 -2.358 0.793 -1.441
101 1HG LYS 15 2HG LYS 15 -3.297 0.044 -3.301
102 2HG LYS 15 1HG LYS 15 -4.697 -0.559 -2.416
103 1HD LYS 15 2HD LYS 15 -4.659 2.349 -2.709
104 2HD LYS 15 1HD LYS 15 -4.722 1.485 -4.246
105 1HE LYS 15 2HE LYS 15 -6.578 0.092 -3.007
106 2HE LYS 15 1HE LYS 15 -6.693 1.542 -2.011
107 1HZ LYS 15 1HZ LYS 15 -8.201 1.422 -4.014
108 2HZ LYS 15 2HZ LYS 15 -6.822 1.644 -4.968
109 3HZ LYS 15 3HZ LYS 15 -7.284 2.836 -3.859
110 H TYR 16 H TYR 16 -1.204 -0.468 0.292
111 HA TYR 16 HA TYR 16 -0.951 -0.356 3.013
112 1HB TYR 16 2HB TYR 16 0.788 -0.420 0.895
113 2HB TYR 16 1HB TYR 16 1.138 1.152 1.600
114 HD1 TYR 16 1HD TYR 16 0.083 -1.823 3.535
115 HD2 TYR 16 2HD TYR 16 3.328 0.677 2.378
116 HE1 TYR 16 1HE TYR 16 1.500 -2.893 5.232
117 HE2 TYR 16 2HE TYR 16 4.755 -0.387 4.078
118 HH TYR 16 HH TYR 16 4.837 -2.577 5.304
119 H LYS 17 H LYS 17 -0.464 2.477 0.888
120 HA LYS 17 HA LYS 17 -0.317 4.397 2.885
121 1HB LYS 17 2HB LYS 17 -0.951 6.030 1.147
122 2HB LYS 17 1HB LYS 17 0.265 4.895 0.577
123 1HG LYS 17 2HG LYS 17 -1.244 3.778 -0.799
124 2HG LYS 17 1HG LYS 17 -2.646 4.433 0.051
125 1HD LYS 17 2HD LYS 17 -2.440 6.517 -0.959
126 2HD LYS 17 1HD LYS 17 -0.745 6.255 -1.376
127 1HE LYS 17 2HE LYS 17 -1.779 6.007 -3.423
128 2HE LYS 17 1HE LYS 17 -1.684 4.338 -2.860
129 1HZ LYS 17 1HZ LYS 17 -4.083 5.800 -2.116
130 2HZ LYS 17 2HZ LYS 17 -3.905 4.197 -2.626
131 3HZ LYS 17 3HZ LYS 17 -3.917 5.449 -3.763
132 H GLN 18 H GLN 18 -3.097 2.839 1.474
133 HA GLN 18 HA GLN 18 -4.964 4.645 2.784
134 1HB GLN 18 2HB GLN 18 -5.071 3.152 0.462
135 2HB GLN 18 1HB GLN 18 -6.076 2.230 1.574
136 1HG GLN 18 2HG GLN 18 -7.130 4.581 2.066
137 2HG GLN 18 1HG GLN 18 -6.470 4.966 0.477
138 1HE2 GLN 18 1HE2 GLN 18 -9.172 4.028 1.983
139 2HE2 GLN 18 2HE2 GLN 18 -9.943 3.135 0.721
140 H CYS 19 H CYS 19 -3.112 2.322 3.983
141 HA CYS 19 HA CYS 19 -5.061 1.635 6.016
142 1HB CYS 19 2HB CYS 19 -5.151 -0.087 4.136
143 2HB CYS 19 1HB CYS 19 -3.542 -0.584 4.649
144 H HIS 20 H HIS 20 -2.609 -0.622 6.209
145 HA HIS 20 HA HIS 20 -1.467 0.504 8.494
146 1HB HIS 20 2HB HIS 20 -0.599 -1.705 6.649
147 2HB HIS 20 1HB HIS 20 0.409 -1.210 8.003
148 HD2 HIS 20 2HD HIS 20 -0.372 -2.090 10.466
149 HE1 HIS 20 1HE HIS 20 -3.873 -4.062 9.138
150 HE2 HIS 20 2HE HIS 20 -2.418 -3.533 11.145
151 H GLY 21 H GLY 21 -0.407 0.563 5.122
152 1HA GLY 21 2HA GLY 21 2.122 1.693 5.487
153 2HA GLY 21 1HA GLY 21 1.137 1.876 4.044
154 H ARG 22 H ARG 22 -1.039 3.257 5.185
155 HA ARG 22 HA ARG 22 -1.736 5.379 5.605
156 1HB ARG 22 2HB ARG 22 -0.181 4.684 7.719
157 2HB ARG 22 1HB ARG 22 0.657 6.128 7.166
158 1HG ARG 22 2HG ARG 22 -2.199 6.545 7.263
159 2HG ARG 22 1HG ARG 22 -1.568 6.010 8.822
160 1HD ARG 22 2HD ARG 22 0.142 7.792 8.696
161 2HD ARG 22 1HD ARG 22 -0.589 8.353 7.193
162 HE ARG 22 HE ARG 22 -2.232 9.367 8.416
163 1HH1 ARG 22 1HH1 ARG 22 -0.602 7.042 10.446
164 2HH1 ARG 22 2HH1 ARG 22 -1.424 7.537 11.888
165 1HH2 ARG 22 1HH2 ARG 22 -3.313 10.019 10.311
166 2HH2 ARG 22 2HH2 ARG 22 -2.964 9.227 11.811
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 11.035 -4.019 1.067
2 2H LYS 1 2HT LYS 1 10.194 -4.251 2.544
3 3H LYS 1 3HT LYS 1 11.457 -3.092 2.445
4 HA LYS 1 HA LYS 1 9.260 -2.112 2.432
5 1HB LYS 1 2HB LYS 1 11.492 -1.657 0.754
6 2HB LYS 1 1HB LYS 1 10.064 -1.377 -0.233
7 1HG LYS 1 2HG LYS 1 9.342 -0.011 1.944
8 2HG LYS 1 1HG LYS 1 11.095 0.129 2.090
9 1HD LYS 1 2HD LYS 1 10.719 0.666 -0.556
10 2HD LYS 1 1HD LYS 1 9.257 1.351 0.157
11 1HE LYS 1 2HE LYS 1 11.407 2.107 1.819
12 2HE LYS 1 1HE LYS 1 11.925 2.387 0.157
13 1HZ LYS 1 1HZ LYS 1 10.360 3.978 -0.162
14 2HZ LYS 1 2HZ LYS 1 10.560 4.169 1.506
15 3HZ LYS 1 3HZ LYS 1 9.247 3.285 0.908
16 H VAL 2 H VAL 2 7.275 -1.808 1.404
17 HA VAL 2 HA VAL 2 6.600 -3.799 -0.665
18 HB VAL 2 HB VAL 2 5.615 -4.402 1.525
19 1HG1 VAL 2 1HG1 VAL 2 3.688 -2.157 1.412
20 2HG1 VAL 2 2HG1 VAL 2 5.313 -1.780 1.983
21 3HG1 VAL 2 3HG1 VAL 2 4.355 -3.014 2.803
22 1HG2 VAL 2 1HG2 VAL 2 3.744 -5.189 0.545
23 2HG2 VAL 2 2HG2 VAL 2 4.436 -4.472 -0.911
24 3HG2 VAL 2 3HG2 VAL 2 3.222 -3.588 0.017
25 H GLY 3 H GLY 3 5.130 -3.174 -2.266
26 1HA GLY 3 2HA GLY 3 5.207 -0.488 -3.080
27 2HA GLY 3 1HA GLY 3 4.102 -1.706 -3.708
28 H ARG 4 H ARG 4 4.517 0.918 -1.491
29 HA ARG 4 HA ARG 4 2.393 0.738 0.187
30 1HB ARG 4 2HB ARG 4 4.188 2.609 -0.170
31 2HB ARG 4 1HB ARG 4 2.908 3.374 -1.105
32 1HG ARG 4 2HG ARG 4 1.447 3.379 0.793
33 2HG ARG 4 1HG ARG 4 2.613 2.454 1.742
34 1HD ARG 4 2HD ARG 4 2.699 4.803 2.347
35 2HD ARG 4 1HD ARG 4 4.206 4.305 1.581
36 HE ARG 4 HE ARG 4 2.209 6.130 0.508
37 1HH1 ARG 4 1HH1 ARG 4 5.136 4.303 -0.048
38 2HH1 ARG 4 2HH1 ARG 4 5.605 5.243 -1.423
39 1HH2 ARG 4 1HH2 ARG 4 2.832 7.362 -1.299
40 2HH2 ARG 4 2HH2 ARG 4 4.301 6.977 -2.132
41 H ASN 5 H ASN 5 2.260 1.371 -3.230
42 HA ASN 5 HA ASN 5 -0.489 2.261 -3.143
43 1HB ASN 5 2HB ASN 5 1.297 3.040 -4.813
44 2HB ASN 5 1HB ASN 5 1.032 1.502 -5.630
45 1HD2 ASN 5 1HD2 ASN 5 0.008 2.062 -7.434
46 2HD2 ASN 5 2HD2 ASN 5 -1.459 2.971 -7.508
47 H ASP 6 H ASP 6 0.854 -0.691 -2.778
48 HA ASP 6 HA ASP 6 -1.134 -2.126 -4.375
49 1HB ASP 6 2HB ASP 6 1.002 -3.068 -4.695
50 2HB ASP 6 1HB ASP 6 1.411 -2.949 -2.989
51 HA PRO 7 HA PRO 7 -4.047 -2.943 -1.174
52 1HB PRO 7 2HB PRO 7 -3.547 -5.808 -1.888
53 2HB PRO 7 1HB PRO 7 -5.081 -4.962 -1.651
54 1HG PRO 7 2HG PRO 7 -4.174 -5.472 -4.104
55 2HG PRO 7 1HG PRO 7 -5.000 -3.949 -3.732
56 1HD PRO 7 2HD PRO 7 -2.125 -4.464 -4.242
57 2HD PRO 7 1HD PRO 7 -3.074 -2.990 -4.509
58 H CYS 8 H CYS 8 -3.468 -2.729 0.885
59 HA CYS 8 HA CYS 8 -1.198 -3.379 2.177
60 1HB CYS 8 2HB CYS 8 -3.350 -2.191 3.025
61 2HB CYS 8 1HB CYS 8 -3.803 -3.785 3.613
62 HA PRO 9 HA PRO 9 -0.852 -7.808 2.204
63 1HB PRO 9 2HB PRO 9 0.851 -8.031 4.349
64 2HB PRO 9 1HB PRO 9 1.364 -7.619 2.711
65 1HG PRO 9 2HG PRO 9 0.845 -5.820 5.043
66 2HG PRO 9 1HG PRO 9 2.154 -5.757 3.848
67 1HD PRO 9 2HD PRO 9 0.038 -4.114 3.703
68 2HD PRO 9 1HD PRO 9 0.810 -4.763 2.242
69 H CYS 10 H CYS 10 -2.040 -5.942 4.856
70 HA CYS 10 HA CYS 10 -2.528 -7.908 6.765
71 1HB CYS 10 2HB CYS 10 -4.228 -6.416 7.663
72 2HB CYS 10 1HB CYS 10 -2.819 -5.488 7.163
73 H GLY 11 H GLY 11 -4.119 -7.283 3.744
74 1HA GLY 11 2HA GLY 11 -5.510 -8.778 2.604
75 2HA GLY 11 1HA GLY 11 -5.694 -9.701 4.088
76 H SER 12 H SER 12 -6.208 -6.253 3.997
77 HA SER 12 HA SER 12 -8.980 -6.670 4.778
78 1HB SER 12 2HB SER 12 -7.111 -4.315 4.841
79 2HB SER 12 1HB SER 12 -8.849 -4.090 5.040
80 HG SER 12 HG SER 12 -7.576 -4.414 7.017
81 H GLY 13 H GLY 13 -7.114 -5.109 2.216
82 1HA GLY 13 2HA GLY 13 -8.263 -5.414 -0.024
83 2HA GLY 13 1HA GLY 13 -9.634 -4.637 0.754
84 H LYS 14 H LYS 14 -7.811 -2.832 2.265
85 HA LYS 14 HA LYS 14 -7.595 -0.800 0.211
86 1HB LYS 14 2HB LYS 14 -6.840 -0.521 3.118
87 2HB LYS 14 1HB LYS 14 -7.283 0.752 1.989
88 1HG LYS 14 2HG LYS 14 -9.562 0.047 1.971
89 2HG LYS 14 1HG LYS 14 -9.172 -1.407 2.891
90 1HD LYS 14 2HD LYS 14 -8.239 0.387 4.609
91 2HD LYS 14 1HD LYS 14 -9.426 1.411 3.798
92 1HE LYS 14 2HE LYS 14 -10.676 0.514 5.515
93 2HE LYS 14 1HE LYS 14 -11.029 -0.600 4.194
94 1HZ LYS 14 1HZ LYS 14 -10.560 -1.906 6.083
95 2HZ LYS 14 2HZ LYS 14 -9.174 -1.015 6.468
96 3HZ LYS 14 3HZ LYS 14 -9.185 -2.012 5.102
97 H LYS 15 H LYS 15 -5.694 0.326 -0.319
98 HA LYS 15 HA LYS 15 -3.354 -1.272 -0.451
99 1HB LYS 15 2HB LYS 15 -3.942 1.593 -1.156
100 2HB LYS 15 1HB LYS 15 -2.321 0.925 -1.302
101 1HG LYS 15 2HG LYS 15 -3.309 0.779 -3.439
102 2HG LYS 15 1HG LYS 15 -3.302 -0.857 -2.779
103 1HD LYS 15 2HD LYS 15 -5.430 -0.339 -3.873
104 2HD LYS 15 1HD LYS 15 -5.646 -0.623 -2.145
105 1HE LYS 15 2HE LYS 15 -6.372 1.465 -1.779
106 2HE LYS 15 1HE LYS 15 -5.132 2.173 -2.813
107 1HZ LYS 15 1HZ LYS 15 -6.994 2.661 -4.003
108 2HZ LYS 15 2HZ LYS 15 -7.838 1.285 -3.497
109 3HZ LYS 15 3HZ LYS 15 -6.636 1.153 -4.680
110 H TYR 16 H TYR 16 -1.180 -0.454 0.254
111 HA TYR 16 HA TYR 16 -0.952 -0.386 2.989
112 1HB TYR 16 2HB TYR 16 0.802 -0.464 0.899
113 2HB TYR 16 1HB TYR 16 1.139 1.125 1.570
114 HD1 TYR 16 1HD TYR 16 0.093 -1.789 3.596
115 HD2 TYR 16 2HD TYR 16 3.340 0.660 2.337
116 HE1 TYR 16 1HE TYR 16 1.520 -2.807 5.317
117 HE2 TYR 16 2HE TYR 16 4.774 -0.352 4.060
118 HH TYR 16 HH TYR 16 3.582 -2.189 6.603
119 H LYS 17 H LYS 17 -0.385 2.468 0.910
120 HA LYS 17 HA LYS 17 -0.256 4.369 2.909
121 1HB LYS 17 2HB LYS 17 -0.917 6.016 1.181
122 2HB LYS 17 1HB LYS 17 0.326 4.907 0.621
123 1HG LYS 17 2HG LYS 17 -1.161 3.753 -0.763
124 2HG LYS 17 1HG LYS 17 -2.576 4.418 0.055
125 1HD LYS 17 2HD LYS 17 -0.620 6.123 -1.472
126 2HD LYS 17 1HD LYS 17 -2.040 5.389 -2.223
127 1HE LYS 17 2HE LYS 17 -2.542 6.862 0.276
128 2HE LYS 17 1HE LYS 17 -2.014 7.845 -1.089
129 1HZ LYS 17 1HZ LYS 17 -4.247 7.830 -1.438
130 2HZ LYS 17 2HZ LYS 17 -4.477 6.301 -0.752
131 3HZ LYS 17 3HZ LYS 17 -3.840 6.439 -2.313
132 H GLN 18 H GLN 18 -3.051 2.838 1.503
133 HA GLN 18 HA GLN 18 -4.900 4.658 2.816
134 1HB GLN 18 2HB GLN 18 -5.020 3.141 0.505
135 2HB GLN 18 1HB GLN 18 -6.045 2.251 1.626
136 1HG GLN 18 2HG GLN 18 -6.895 4.801 2.026
137 2HG GLN 18 1HG GLN 18 -6.470 4.836 0.316
138 1HE2 GLN 18 1HE2 GLN 18 -7.977 4.213 -1.052
139 2HE2 GLN 18 2HE2 GLN 18 -9.345 3.227 -0.678
140 H CYS 19 H CYS 19 -3.065 2.336 4.041
141 HA CYS 19 HA CYS 19 -5.036 1.676 6.061
142 1HB CYS 19 2HB CYS 19 -5.132 -0.055 4.196
143 2HB CYS 19 1HB CYS 19 -3.531 -0.566 4.719
144 H HIS 20 H HIS 20 -2.618 -0.606 6.288
145 HA HIS 20 HA HIS 20 -1.469 0.604 8.559
146 1HB HIS 20 2HB HIS 20 -0.687 -1.806 6.924
147 2HB HIS 20 1HB HIS 20 0.194 -1.313 8.367
148 HD2 HIS 20 2HD HIS 20 -1.542 -1.235 10.736
149 HE1 HIS 20 1HE HIS 20 -4.007 -4.266 9.111
150 HE2 HIS 20 2HE HIS 20 -3.506 -2.873 11.169
151 H GLY 21 H GLY 21 -0.602 0.651 5.189
152 1HA GLY 21 2HA GLY 21 2.095 1.203 5.242
153 2HA GLY 21 1HA GLY 21 0.983 1.894 4.073
154 H ARG 22 H ARG 22 -0.509 3.253 6.294
155 HA ARG 22 HA ARG 22 0.826 5.732 6.177
156 1HB ARG 22 2HB ARG 22 -1.682 5.181 6.614
157 2HB ARG 22 1HB ARG 22 -1.194 5.090 8.300
158 1HG ARG 22 2HG ARG 22 -0.491 7.491 6.671
159 2HG ARG 22 1HG ARG 22 -2.113 7.314 7.341
160 1HD ARG 22 2HD ARG 22 -0.025 6.738 9.283
161 2HD ARG 22 1HD ARG 22 0.086 8.373 8.633
162 HE ARG 22 HE ARG 22 -2.534 8.137 9.253
163 1HH1 ARG 22 1HH1 ARG 22 0.399 7.567 11.055
164 2HH1 ARG 22 2HH1 ARG 22 -0.312 7.969 12.581
165 1HH2 ARG 22 1HH2 ARG 22 -3.471 8.668 11.260
166 2HH2 ARG 22 2HH2 ARG 22 -2.509 8.595 12.699
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 10.878 -3.971 1.406
2 2H LYS 1 2HT LYS 1 9.508 -4.004 2.437
3 3H LYS 1 3HT LYS 1 10.841 -2.990 2.810
4 HA LYS 1 HA LYS 1 9.276 -1.580 1.951
5 1HB LYS 1 2HB LYS 1 11.440 -2.446 0.086
6 2HB LYS 1 1HB LYS 1 10.271 -1.269 -0.494
7 1HG LYS 1 2HG LYS 1 11.622 -0.824 2.126
8 2HG LYS 1 1HG LYS 1 12.485 -0.485 0.623
9 1HD LYS 1 2HD LYS 1 10.415 0.874 -0.035
10 2HD LYS 1 1HD LYS 1 9.966 0.774 1.668
11 1HE LYS 1 2HE LYS 1 12.684 1.726 0.838
12 2HE LYS 1 1HE LYS 1 11.304 2.825 0.854
13 1HZ LYS 1 1HZ LYS 1 12.673 1.526 3.097
14 2HZ LYS 1 2HZ LYS 1 11.021 1.857 3.250
15 3HZ LYS 1 3HZ LYS 1 12.111 3.116 2.951
16 H VAL 2 H VAL 2 7.178 -2.229 1.755
17 HA VAL 2 HA VAL 2 6.400 -3.933 -0.484
18 HB VAL 2 HB VAL 2 5.433 -4.395 1.738
19 1HG1 VAL 2 1HG1 VAL 2 3.791 -2.871 2.711
20 2HG1 VAL 2 2HG1 VAL 2 4.103 -1.702 1.428
21 3HG1 VAL 2 3HG1 VAL 2 5.373 -2.101 2.587
22 1HG2 VAL 2 1HG2 VAL 2 3.493 -5.098 0.837
23 2HG2 VAL 2 2HG2 VAL 2 4.171 -4.459 -0.660
24 3HG2 VAL 2 3HG2 VAL 2 3.045 -3.484 0.285
25 H GLY 3 H GLY 3 5.017 -3.296 -2.129
26 1HA GLY 3 2HA GLY 3 5.175 -0.639 -3.017
27 2HA GLY 3 1HA GLY 3 4.051 -1.847 -3.630
28 H ARG 4 H ARG 4 4.473 0.874 -1.559
29 HA ARG 4 HA ARG 4 2.333 0.800 0.119
30 1HB ARG 4 2HB ARG 4 4.158 2.630 -0.315
31 2HB ARG 4 1HB ARG 4 2.899 3.360 -1.304
32 1HG ARG 4 2HG ARG 4 1.419 3.490 0.574
33 2HG ARG 4 1HG ARG 4 2.560 2.601 1.587
34 1HD ARG 4 2HD ARG 4 4.173 4.409 1.389
35 2HD ARG 4 1HD ARG 4 3.084 5.287 0.316
36 HE ARG 4 HE ARG 4 1.623 4.901 2.583
37 1HH1 ARG 4 1HH1 ARG 4 4.734 6.321 1.892
38 2HH1 ARG 4 2HH1 ARG 4 4.652 7.447 3.205
39 1HH2 ARG 4 1HH2 ARG 4 1.513 6.382 4.311
40 2HH2 ARG 4 2HH2 ARG 4 2.823 7.481 4.579
41 H ASN 5 H ASN 5 2.249 1.263 -3.328
42 HA ASN 5 HA ASN 5 -0.501 2.170 -3.308
43 1HB ASN 5 2HB ASN 5 1.444 2.750 -5.004
44 2HB ASN 5 1HB ASN 5 0.868 1.297 -5.816
45 1HD2 ASN 5 1HD2 ASN 5 -1.206 1.266 -6.689
46 2HD2 ASN 5 2HD2 ASN 5 -2.095 2.718 -6.985
47 H ASP 6 H ASP 6 0.854 -0.758 -2.830
48 HA ASP 6 HA ASP 6 -1.130 -2.259 -4.375
49 1HB ASP 6 2HB ASP 6 1.118 -3.082 -4.641
50 2HB ASP 6 1HB ASP 6 1.368 -3.115 -2.899
51 HA PRO 7 HA PRO 7 -3.978 -2.995 -1.094
52 1HB PRO 7 2HB PRO 7 -3.912 -5.841 -1.317
53 2HB PRO 7 1HB PRO 7 -5.113 -4.734 -1.982
54 1HG PRO 7 2HG PRO 7 -2.766 -5.985 -3.289
55 2HG PRO 7 1HG PRO 7 -4.305 -5.460 -3.997
56 1HD PRO 7 2HD PRO 7 -2.048 -4.081 -4.409
57 2HD PRO 7 1HD PRO 7 -3.604 -3.251 -4.186
58 H CYS 8 H CYS 8 -3.384 -2.758 0.947
59 HA CYS 8 HA CYS 8 -1.092 -3.323 2.222
60 1HB CYS 8 2HB CYS 8 -3.254 -2.204 3.097
61 2HB CYS 8 1HB CYS 8 -3.684 -3.813 3.663
62 HA PRO 9 HA PRO 9 -0.468 -7.715 2.266
63 1HB PRO 9 2HB PRO 9 1.032 -7.818 4.598
64 2HB PRO 9 1HB PRO 9 1.673 -7.485 2.987
65 1HG PRO 9 2HG PRO 9 0.946 -5.584 5.172
66 2HG PRO 9 1HG PRO 9 2.312 -5.528 4.044
67 1HD PRO 9 2HD PRO 9 0.164 -3.966 3.707
68 2HD PRO 9 1HD PRO 9 1.012 -4.676 2.319
69 H CYS 10 H CYS 10 -1.883 -5.955 4.909
70 HA CYS 10 HA CYS 10 -2.486 -8.053 6.653
71 1HB CYS 10 2HB CYS 10 -4.178 -6.599 7.594
72 2HB CYS 10 1HB CYS 10 -2.751 -5.648 7.200
73 H GLY 11 H GLY 11 -3.940 -7.105 3.636
74 1HA GLY 11 2HA GLY 11 -5.339 -8.380 2.289
75 2HA GLY 11 1HA GLY 11 -5.485 -9.548 3.593
76 H SER 12 H SER 12 -6.137 -6.107 3.906
77 HA SER 12 HA SER 12 -8.848 -6.735 4.755
78 1HB SER 12 2HB SER 12 -7.265 -5.141 5.995
79 2HB SER 12 1HB SER 12 -7.602 -3.990 4.702
80 HG SER 12 HG SER 12 -8.999 -4.243 6.811
81 H GLY 13 H GLY 13 -7.166 -4.953 2.221
82 1HA GLY 13 2HA GLY 13 -8.477 -5.165 0.044
83 2HA GLY 13 1HA GLY 13 -9.770 -4.395 0.951
84 H LYS 14 H LYS 14 -7.811 -2.685 2.397
85 HA LYS 14 HA LYS 14 -7.644 -0.610 0.367
86 1HB LYS 14 2HB LYS 14 -7.383 -0.659 3.358
87 2HB LYS 14 1HB LYS 14 -6.821 0.730 2.441
88 1HG LYS 14 2HG LYS 14 -9.451 0.033 1.569
89 2HG LYS 14 1HG LYS 14 -9.432 0.170 3.328
90 1HD LYS 14 2HD LYS 14 -8.593 2.396 3.226
91 2HD LYS 14 1HD LYS 14 -8.268 2.260 1.497
92 1HE LYS 14 2HE LYS 14 -10.410 2.675 0.931
93 2HE LYS 14 1HE LYS 14 -11.054 1.755 2.291
94 1HZ LYS 14 1HZ LYS 14 -11.624 3.841 2.933
95 2HZ LYS 14 2HZ LYS 14 -10.330 4.582 2.135
96 3HZ LYS 14 3HZ LYS 14 -10.075 3.796 3.610
97 H LYS 15 H LYS 15 -5.776 0.313 -0.382
98 HA LYS 15 HA LYS 15 -3.442 -1.236 -0.451
99 1HB LYS 15 2HB LYS 15 -3.761 1.716 -1.025
100 2HB LYS 15 1HB LYS 15 -2.383 0.731 -1.497
101 1HG LYS 15 2HG LYS 15 -3.409 0.110 -3.354
102 2HG LYS 15 1HG LYS 15 -4.785 -0.501 -2.434
103 1HD LYS 15 2HD LYS 15 -4.663 2.425 -2.684
104 2HD LYS 15 1HD LYS 15 -4.901 1.559 -4.203
105 1HE LYS 15 2HE LYS 15 -6.683 0.248 -2.751
106 2HE LYS 15 1HE LYS 15 -6.662 1.740 -1.812
107 1HZ LYS 15 1HZ LYS 15 -7.697 1.241 -4.475
108 2HZ LYS 15 2HZ LYS 15 -6.866 2.702 -4.286
109 3HZ LYS 15 3HZ LYS 15 -8.201 2.356 -3.308
110 H TYR 16 H TYR 16 -1.253 -0.454 0.239
111 HA TYR 16 HA TYR 16 -0.984 -0.396 2.963
112 1HB TYR 16 2HB TYR 16 0.751 -0.519 0.907
113 2HB TYR 16 1HB TYR 16 1.054 1.127 1.447
114 HD1 TYR 16 1HD TYR 16 0.160 -1.724 3.647
115 HD2 TYR 16 2HD TYR 16 3.249 0.861 2.266
116 HE1 TYR 16 1HE TYR 16 1.644 -2.566 5.414
117 HE2 TYR 16 2HE TYR 16 4.741 0.023 4.033
118 HH TYR 16 HH TYR 16 3.658 -1.773 6.662
119 H LYS 17 H LYS 17 -0.389 2.481 0.930
120 HA LYS 17 HA LYS 17 -0.283 4.346 2.967
121 1HB LYS 17 2HB LYS 17 -1.115 5.973 1.138
122 2HB LYS 17 1HB LYS 17 0.407 5.133 0.888
123 1HG LYS 17 2HG LYS 17 -0.338 4.161 -0.961
124 2HG LYS 17 1HG LYS 17 -1.808 3.606 -0.157
125 1HD LYS 17 2HD LYS 17 -3.036 5.330 -0.937
126 2HD LYS 17 1HD LYS 17 -1.717 6.487 -0.752
127 1HE LYS 17 2HE LYS 17 -1.590 4.403 -2.891
128 2HE LYS 17 1HE LYS 17 -2.568 5.849 -3.131
129 1HZ LYS 17 1HZ LYS 17 0.306 5.907 -2.397
130 2HZ LYS 17 2HZ LYS 17 -0.656 7.218 -2.861
131 3HZ LYS 17 3HZ LYS 17 -0.261 6.019 -3.987
132 H GLN 18 H GLN 18 -3.043 2.754 1.628
133 HA GLN 18 HA GLN 18 -4.925 4.652 2.771
134 1HB GLN 18 2HB GLN 18 -5.594 1.999 1.513
135 2HB GLN 18 1HB GLN 18 -6.626 3.414 1.679
136 1HG GLN 18 2HG GLN 18 -4.153 3.761 0.100
137 2HG GLN 18 1HG GLN 18 -5.411 2.747 -0.601
138 1HE2 GLN 18 1HE2 GLN 18 -7.105 3.687 -1.546
139 2HE2 GLN 18 2HE2 GLN 18 -7.433 5.383 -1.538
140 H CYS 19 H CYS 19 -3.328 1.755 3.667
141 HA CYS 19 HA CYS 19 -5.188 1.439 5.922
142 1HB CYS 19 2HB CYS 19 -5.178 -0.387 4.149
143 2HB CYS 19 1HB CYS 19 -3.567 -0.802 4.720
144 H HIS 20 H HIS 20 -2.682 -0.726 6.302
145 HA HIS 20 HA HIS 20 -1.630 0.639 8.534
146 1HB HIS 20 2HB HIS 20 -0.682 -1.803 7.037
147 2HB HIS 20 1HB HIS 20 0.089 -1.214 8.507
148 HD2 HIS 20 2HD HIS 20 -1.892 -1.041 10.724
149 HE1 HIS 20 1HE HIS 20 -3.931 -4.402 9.159
150 HE2 HIS 20 2HE HIS 20 -3.492 -3.017 11.236
151 H GLY 21 H GLY 21 -0.623 0.463 5.187
152 1HA GLY 21 2HA GLY 21 2.030 1.173 5.312
153 2HA GLY 21 1HA GLY 21 0.943 1.707 4.042
154 H ARG 22 H ARG 22 -0.721 3.161 6.069
155 HA ARG 22 HA ARG 22 0.909 5.581 6.109
156 1HB ARG 22 2HB ARG 22 -1.670 5.216 5.390
157 2HB ARG 22 1HB ARG 22 -1.886 5.666 7.076
158 1HG ARG 22 2HG ARG 22 -0.138 7.565 6.268
159 2HG ARG 22 1HG ARG 22 -1.045 7.286 4.780
160 1HD ARG 22 2HD ARG 22 -2.730 7.471 7.157
161 2HD ARG 22 1HD ARG 22 -1.803 8.936 6.841
162 HE ARG 22 HE ARG 22 -2.879 8.286 4.423
163 1HH1 ARG 22 1HH1 ARG 22 -4.186 8.860 7.608
164 2HH1 ARG 22 2HH1 ARG 22 -5.694 9.471 7.016
165 1HH2 ARG 22 1HH2 ARG 22 -4.863 9.088 3.643
166 2HH2 ARG 22 2HH2 ARG 22 -6.078 9.600 4.765
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 10.997 -2.955 3.166
2 2H LYS 1 2HT LYS 1 10.868 -4.066 1.864
3 3H LYS 1 3HT LYS 1 9.603 -3.942 3.018
4 HA LYS 1 HA LYS 1 9.241 -1.660 2.334
5 1HB LYS 1 2HB LYS 1 11.731 -1.846 1.295
6 2HB LYS 1 1HB LYS 1 10.779 -2.147 -0.152
7 1HG LYS 1 2HG LYS 1 9.971 -0.030 -0.235
8 2HG LYS 1 1HG LYS 1 9.996 0.166 1.519
9 1HD LYS 1 2HD LYS 1 11.780 1.477 1.107
10 2HD LYS 1 1HD LYS 1 12.645 -0.056 0.988
11 1HE LYS 1 2HE LYS 1 13.275 0.733 -1.022
12 2HE LYS 1 1HE LYS 1 11.682 0.172 -1.528
13 1HZ LYS 1 1HZ LYS 1 10.909 2.265 -1.721
14 2HZ LYS 1 2HZ LYS 1 12.545 2.647 -1.918
15 3HZ LYS 1 3HZ LYS 1 11.804 2.853 -0.411
16 H VAL 2 H VAL 2 7.229 -1.814 1.609
17 HA VAL 2 HA VAL 2 6.636 -3.789 -0.500
18 HB VAL 2 HB VAL 2 5.597 -4.286 1.721
19 1HG1 VAL 2 1HG1 VAL 2 5.090 -1.591 1.825
20 2HG1 VAL 2 2HG1 VAL 2 4.359 -2.810 2.868
21 3HG1 VAL 2 3HG1 VAL 2 3.509 -2.261 1.423
22 1HG2 VAL 2 1HG2 VAL 2 3.334 -3.649 -0.091
23 2HG2 VAL 2 2HG2 VAL 2 3.722 -5.148 0.755
24 3HG2 VAL 2 3HG2 VAL 2 4.608 -4.704 -0.705
25 H GLY 3 H GLY 3 5.123 -3.219 -2.112
26 1HA GLY 3 2HA GLY 3 5.263 -0.552 -3.015
27 2HA GLY 3 1HA GLY 3 4.175 -1.787 -3.639
28 H ARG 4 H ARG 4 4.530 0.901 -1.488
29 HA ARG 4 HA ARG 4 2.357 0.780 0.134
30 1HB ARG 4 2HB ARG 4 4.164 2.643 -0.258
31 2HB ARG 4 1HB ARG 4 2.891 3.369 -1.233
32 1HG ARG 4 2HG ARG 4 1.431 3.522 0.614
33 2HG ARG 4 1HG ARG 4 2.470 2.493 1.606
34 1HD ARG 4 2HD ARG 4 4.125 4.565 0.806
35 2HD ARG 4 1HD ARG 4 2.585 5.353 1.143
36 HE ARG 4 HE ARG 4 2.870 4.897 3.374
37 1HH1 ARG 4 1HH1 ARG 4 5.179 3.048 1.523
38 2HH1 ARG 4 2HH1 ARG 4 6.069 2.530 2.914
39 1HH2 ARG 4 1HH2 ARG 4 4.040 4.216 5.206
40 2HH2 ARG 4 2HH2 ARG 4 5.422 3.192 5.005
41 H ASN 5 H ASN 5 2.337 1.331 -3.306
42 HA ASN 5 HA ASN 5 -0.418 2.205 -3.330
43 1HB ASN 5 2HB ASN 5 1.535 2.842 -4.974
44 2HB ASN 5 1HB ASN 5 1.040 1.371 -5.807
45 1HD2 ASN 5 1HD2 ASN 5 0.079 4.571 -4.823
46 2HD2 ASN 5 2HD2 ASN 5 -1.268 4.711 -5.895
47 H ASP 6 H ASP 6 0.922 -0.727 -2.850
48 HA ASP 6 HA ASP 6 -1.028 -2.204 -4.462
49 1HB ASP 6 2HB ASP 6 1.222 -3.027 -4.697
50 2HB ASP 6 1HB ASP 6 1.439 -3.088 -2.952
51 HA PRO 7 HA PRO 7 -3.933 -2.975 -1.240
52 1HB PRO 7 2HB PRO 7 -3.925 -5.809 -1.531
53 2HB PRO 7 1HB PRO 7 -5.084 -4.661 -2.202
54 1HG PRO 7 2HG PRO 7 -2.731 -5.936 -3.477
55 2HG PRO 7 1HG PRO 7 -4.243 -5.372 -4.209
56 1HD PRO 7 2HD PRO 7 -1.950 -4.027 -4.541
57 2HD PRO 7 1HD PRO 7 -3.497 -3.174 -4.347
58 H CYS 8 H CYS 8 -3.372 -2.805 0.817
59 HA CYS 8 HA CYS 8 -1.115 -3.438 2.117
60 1HB CYS 8 2HB CYS 8 -3.367 -2.365 2.947
61 2HB CYS 8 1HB CYS 8 -3.677 -3.984 3.565
62 HA PRO 9 HA PRO 9 -0.646 -7.858 2.068
63 1HB PRO 9 2HB PRO 9 1.035 -8.073 4.229
64 2HB PRO 9 1HB PRO 9 1.559 -7.610 2.607
65 1HG PRO 9 2HG PRO 9 0.945 -5.878 4.968
66 2HG PRO 9 1HG PRO 9 2.276 -5.753 3.802
67 1HD PRO 9 2HD PRO 9 0.120 -4.166 3.642
68 2HD PRO 9 1HD PRO 9 0.934 -4.773 2.185
69 H CYS 10 H CYS 10 -1.790 -6.073 4.825
70 HA CYS 10 HA CYS 10 -2.311 -8.126 6.629
71 1HB CYS 10 2HB CYS 10 -3.917 -6.639 7.655
72 2HB CYS 10 1HB CYS 10 -2.528 -5.699 7.124
73 H GLY 11 H GLY 11 -4.099 -7.091 3.789
74 1HA GLY 11 2HA GLY 11 -5.524 -8.485 2.539
75 2HA GLY 11 1HA GLY 11 -5.654 -9.557 3.925
76 H SER 12 H SER 12 -6.150 -6.075 4.002
77 HA SER 12 HA SER 12 -8.829 -6.514 5.047
78 1HB SER 12 2HB SER 12 -6.875 -4.274 5.076
79 2HB SER 12 1HB SER 12 -8.583 -3.844 5.128
80 HG SER 12 HG SER 12 -8.762 -5.299 6.932
81 H GLY 13 H GLY 13 -7.292 -4.593 2.469
82 1HA GLY 13 2HA GLY 13 -8.745 -5.075 0.321
83 2HA GLY 13 1HA GLY 13 -9.911 -4.144 1.250
84 H LYS 14 H LYS 14 -7.929 -2.391 2.434
85 HA LYS 14 HA LYS 14 -7.644 -0.564 0.193
86 1HB LYS 14 2HB LYS 14 -6.926 -0.088 3.088
87 2HB LYS 14 1HB LYS 14 -7.174 1.125 1.839
88 1HG LYS 14 2HG LYS 14 -9.562 -0.137 1.780
89 2HG LYS 14 1HG LYS 14 -9.129 -0.328 3.480
90 1HD LYS 14 2HD LYS 14 -8.506 2.331 2.779
91 2HD LYS 14 1HD LYS 14 -10.104 1.993 2.109
92 1HE LYS 14 2HE LYS 14 -11.049 1.667 4.168
93 2HE LYS 14 1HE LYS 14 -9.535 1.139 4.899
94 1HZ LYS 14 1HZ LYS 14 -10.377 3.375 5.616
95 2HZ LYS 14 2HZ LYS 14 -10.018 3.939 4.062
96 3HZ LYS 14 3HZ LYS 14 -8.781 3.352 5.053
97 H LYS 15 H LYS 15 -5.684 0.432 -0.407
98 HA LYS 15 HA LYS 15 -3.446 -1.271 -0.492
99 1HB LYS 15 2HB LYS 15 -3.714 1.682 -1.067
100 2HB LYS 15 1HB LYS 15 -2.248 0.762 -1.378
101 1HG LYS 15 2HG LYS 15 -3.047 0.210 -3.363
102 2HG LYS 15 1HG LYS 15 -4.359 -0.664 -2.575
103 1HD LYS 15 2HD LYS 15 -4.777 2.224 -2.643
104 2HD LYS 15 1HD LYS 15 -4.638 1.504 -4.247
105 1HE LYS 15 2HE LYS 15 -6.539 0.261 -4.006
106 2HE LYS 15 1HE LYS 15 -6.361 0.131 -2.258
107 1HZ LYS 15 1HZ LYS 15 -8.175 1.666 -3.369
108 2HZ LYS 15 2HZ LYS 15 -6.902 2.781 -3.359
109 3HZ LYS 15 3HZ LYS 15 -7.428 2.085 -1.909
110 H TYR 16 H TYR 16 -1.197 -0.451 0.201
111 HA TYR 16 HA TYR 16 -0.938 -0.585 2.919
112 1HB TYR 16 2HB TYR 16 0.813 -0.509 0.872
113 2HB TYR 16 1HB TYR 16 1.073 1.098 1.538
114 HD1 TYR 16 1HD TYR 16 0.211 -1.902 3.532
115 HD2 TYR 16 2HD TYR 16 3.286 0.787 2.331
116 HE1 TYR 16 1HE TYR 16 1.696 -2.843 5.249
117 HE2 TYR 16 2HE TYR 16 4.777 -0.147 4.050
118 HH TYR 16 HH TYR 16 4.671 -1.370 6.117
119 H LYS 17 H LYS 17 -0.289 2.466 1.180
120 HA LYS 17 HA LYS 17 -0.386 4.120 3.406
121 1HB LYS 17 2HB LYS 17 -0.989 5.935 1.700
122 2HB LYS 17 1HB LYS 17 0.517 5.062 1.458
123 1HG LYS 17 2HG LYS 17 -0.125 4.483 -0.575
124 2HG LYS 17 1HG LYS 17 -1.541 3.665 0.087
125 1HD LYS 17 2HD LYS 17 -2.786 5.762 0.041
126 2HD LYS 17 1HD LYS 17 -1.365 6.605 -0.576
127 1HE LYS 17 2HE LYS 17 -2.052 4.273 -2.169
128 2HE LYS 17 1HE LYS 17 -3.371 5.442 -2.083
129 1HZ LYS 17 1HZ LYS 17 -0.666 5.780 -3.190
130 2HZ LYS 17 2HZ LYS 17 -1.516 7.131 -2.631
131 3HZ LYS 17 3HZ LYS 17 -2.160 6.183 -3.876
132 H GLN 18 H GLN 18 -2.964 2.655 1.638
133 HA GLN 18 HA GLN 18 -4.990 4.409 2.793
134 1HB GLN 18 2HB GLN 18 -5.501 1.963 1.120
135 2HB GLN 18 1HB GLN 18 -6.533 3.372 1.336
136 1HG GLN 18 2HG GLN 18 -3.859 3.708 0.062
137 2HG GLN 18 1HG GLN 18 -5.192 3.036 -0.874
138 1HE2 GLN 18 1HE2 GLN 18 -6.577 4.392 -1.790
139 2HE2 GLN 18 2HE2 GLN 18 -6.684 6.086 -1.470
140 H CYS 19 H CYS 19 -3.273 2.150 4.175
141 HA CYS 19 HA CYS 19 -5.496 1.216 5.794
142 1HB CYS 19 2HB CYS 19 -5.041 -0.388 3.843
143 2HB CYS 19 1HB CYS 19 -3.561 -0.807 4.697
144 H HIS 20 H HIS 20 -2.147 0.058 5.463
145 HA HIS 20 HA HIS 20 -1.702 0.902 8.251
146 1HB HIS 20 2HB HIS 20 -0.763 -1.502 6.718
147 2HB HIS 20 1HB HIS 20 0.135 -0.933 8.123
148 HD2 HIS 20 2HD HIS 20 -1.487 -0.868 10.542
149 HE1 HIS 20 1HE HIS 20 -4.018 -3.917 9.057
150 HE2 HIS 20 2HE HIS 20 -3.429 -2.502 11.076
151 H GLY 21 H GLY 21 -0.329 0.767 5.019
152 1HA GLY 21 2HA GLY 21 2.254 1.630 5.473
153 2HA GLY 21 1HA GLY 21 1.324 2.027 4.038
154 H ARG 22 H ARG 22 -0.690 3.446 5.769
155 HA ARG 22 HA ARG 22 0.459 6.037 5.564
156 1HB ARG 22 2HB ARG 22 -2.113 4.995 5.785
157 2HB ARG 22 1HB ARG 22 -1.894 5.903 7.273
158 1HG ARG 22 2HG ARG 22 -0.998 7.321 4.879
159 2HG ARG 22 1HG ARG 22 -2.721 6.941 4.892
160 1HD ARG 22 2HD ARG 22 -3.118 8.557 6.364
161 2HD ARG 22 1HD ARG 22 -1.913 7.902 7.472
162 HE ARG 22 HE ARG 22 -0.770 9.400 5.308
163 1HH1 ARG 22 1HH1 ARG 22 -2.195 9.627 8.485
164 2HH1 ARG 22 2HH1 ARG 22 -1.415 11.126 8.864
165 1HH2 ARG 22 1HH2 ARG 22 0.258 11.370 5.806
166 2HH2 ARG 22 2HH2 ARG 22 -0.022 12.115 7.343
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 8.762 -3.140 3.003
2 2H LYS 1 2HT LYS 1 8.852 -1.454 2.698
3 3H LYS 1 3HT LYS 1 10.221 -2.292 3.304
4 HA LYS 1 HA LYS 1 10.202 -1.713 0.888
5 1HB LYS 1 2HB LYS 1 10.971 -4.107 2.346
6 2HB LYS 1 1HB LYS 1 10.729 -4.446 0.638
7 1HG LYS 1 2HG LYS 1 12.201 -2.252 0.389
8 2HG LYS 1 1HG LYS 1 12.775 -2.775 1.973
9 1HD LYS 1 2HD LYS 1 13.146 -5.055 0.931
10 2HD LYS 1 1HD LYS 1 12.873 -4.282 -0.631
11 1HE LYS 1 2HE LYS 1 14.791 -2.884 1.085
12 2HE LYS 1 1HE LYS 1 15.292 -4.509 0.616
13 1HZ LYS 1 1HZ LYS 1 14.521 -3.653 -1.727
14 2HZ LYS 1 2HZ LYS 1 16.073 -3.323 -1.142
15 3HZ LYS 1 3HZ LYS 1 14.867 -2.141 -1.050
16 H VAL 2 H VAL 2 7.355 -2.089 1.545
17 HA VAL 2 HA VAL 2 6.555 -3.869 -0.664
18 HB VAL 2 HB VAL 2 5.620 -4.502 1.530
19 1HG1 VAL 2 1HG1 VAL 2 3.963 -3.062 2.618
20 2HG1 VAL 2 2HG1 VAL 2 4.288 -1.793 1.436
21 3HG1 VAL 2 3HG1 VAL 2 5.551 -2.295 2.563
22 1HG2 VAL 2 1HG2 VAL 2 3.681 -5.158 0.597
23 2HG2 VAL 2 2HG2 VAL 2 4.322 -4.386 -0.854
24 3HG2 VAL 2 3HG2 VAL 2 3.201 -3.510 0.190
25 H GLY 3 H GLY 3 5.149 -3.124 -2.242
26 1HA GLY 3 2HA GLY 3 5.276 -0.407 -2.932
27 2HA GLY 3 1HA GLY 3 4.154 -1.576 -3.619
28 H ARG 4 H ARG 4 4.587 0.974 -1.333
29 HA ARG 4 HA ARG 4 2.473 0.769 0.351
30 1HB ARG 4 2HB ARG 4 4.269 2.649 0.012
31 2HB ARG 4 1HB ARG 4 2.978 3.428 -0.895
32 1HG ARG 4 2HG ARG 4 1.564 3.501 0.994
33 2HG ARG 4 1HG ARG 4 2.619 2.420 1.910
34 1HD ARG 4 2HD ARG 4 4.364 4.374 1.360
35 2HD ARG 4 1HD ARG 4 2.874 5.317 1.360
36 HE ARG 4 HE ARG 4 2.721 3.866 3.651
37 1HH1 ARG 4 1HH1 ARG 4 5.119 6.014 2.303
38 2HH1 ARG 4 2HH1 ARG 4 5.697 6.540 3.848
39 1HH2 ARG 4 1HH2 ARG 4 3.479 4.557 5.684
40 2HH2 ARG 4 2HH2 ARG 4 4.767 5.713 5.768
41 H ASN 5 H ASN 5 2.329 1.487 -3.054
42 HA ASN 5 HA ASN 5 -0.439 2.339 -2.914
43 1HB ASN 5 2HB ASN 5 1.342 3.245 -4.536
44 2HB ASN 5 1HB ASN 5 1.078 1.761 -5.448
45 1HD2 ASN 5 1HD2 ASN 5 -0.079 4.876 -4.710
46 2HD2 ASN 5 2HD2 ASN 5 -1.510 4.829 -5.678
47 H ASP 6 H ASP 6 0.965 -0.599 -2.723
48 HA ASP 6 HA ASP 6 -0.956 -1.988 -4.431
49 1HB ASP 6 2HB ASP 6 1.303 -2.786 -4.639
50 2HB ASP 6 1HB ASP 6 1.471 -2.936 -2.894
51 HA PRO 7 HA PRO 7 -3.978 -2.960 -1.378
52 1HB PRO 7 2HB PRO 7 -3.870 -5.787 -1.793
53 2HB PRO 7 1HB PRO 7 -5.049 -4.642 -2.436
54 1HG PRO 7 2HG PRO 7 -2.633 -5.784 -3.715
55 2HG PRO 7 1HG PRO 7 -4.136 -5.206 -4.456
56 1HD PRO 7 2HD PRO 7 -1.863 -3.803 -4.645
57 2HD PRO 7 1HD PRO 7 -3.430 -2.990 -4.449
58 H CYS 8 H CYS 8 -3.479 -2.830 0.690
59 HA CYS 8 HA CYS 8 -1.260 -3.504 2.050
60 1HB CYS 8 2HB CYS 8 -3.559 -2.428 2.800
61 2HB CYS 8 1HB CYS 8 -3.849 -4.044 3.435
62 HA PRO 9 HA PRO 9 -0.959 -7.939 1.985
63 1HB PRO 9 2HB PRO 9 0.860 -8.248 3.980
64 2HB PRO 9 1HB PRO 9 1.288 -7.675 2.363
65 1HG PRO 9 2HG PRO 9 0.812 -6.102 4.866
66 2HG PRO 9 1HG PRO 9 2.088 -5.910 3.651
67 1HD PRO 9 2HD PRO 9 -0.095 -4.324 3.710
68 2HD PRO 9 1HD PRO 9 0.704 -4.776 2.192
69 H CYS 10 H CYS 10 -1.850 -6.130 4.827
70 HA CYS 10 HA CYS 10 -2.310 -8.169 6.655
71 1HB CYS 10 2HB CYS 10 -3.775 -6.648 7.805
72 2HB CYS 10 1HB CYS 10 -2.441 -5.718 7.134
73 H GLY 11 H GLY 11 -4.153 -7.226 3.852
74 1HA GLY 11 2HA GLY 11 -5.685 -8.620 2.742
75 2HA GLY 11 1HA GLY 11 -5.824 -9.591 4.200
76 H SER 12 H SER 12 -6.140 -6.095 4.118
77 HA SER 12 HA SER 12 -8.824 -6.348 5.214
78 1HB SER 12 2HB SER 12 -6.843 -4.099 4.993
79 2HB SER 12 1HB SER 12 -8.537 -3.761 5.347
80 HG SER 12 HG SER 12 -7.472 -4.019 7.283
81 H GLY 13 H GLY 13 -7.203 -5.241 2.316
82 1HA GLY 13 2HA GLY 13 -8.637 -5.495 0.282
83 2HA GLY 13 1HA GLY 13 -9.844 -4.574 1.165
84 H LYS 14 H LYS 14 -7.862 -2.755 2.323
85 HA LYS 14 HA LYS 14 -7.657 -0.959 0.051
86 1HB LYS 14 2HB LYS 14 -6.871 -0.420 2.916
87 2HB LYS 14 1HB LYS 14 -7.191 0.763 1.655
88 1HG LYS 14 2HG LYS 14 -9.550 -0.506 1.671
89 2HG LYS 14 1HG LYS 14 -9.065 -0.754 3.350
90 1HD LYS 14 2HD LYS 14 -9.175 1.468 3.855
91 2HD LYS 14 1HD LYS 14 -8.751 1.971 2.217
92 1HE LYS 14 2HE LYS 14 -11.010 1.229 1.477
93 2HE LYS 14 1HE LYS 14 -11.412 0.919 3.165
94 1HZ LYS 14 1HZ LYS 14 -10.601 3.397 3.397
95 2HZ LYS 14 2HZ LYS 14 -12.192 3.026 2.961
96 3HZ LYS 14 3HZ LYS 14 -11.072 3.466 1.773
97 H LYS 15 H LYS 15 -5.636 0.384 -0.153
98 HA LYS 15 HA LYS 15 -3.363 -1.406 -0.292
99 1HB LYS 15 2HB LYS 15 -2.294 0.302 -1.619
100 2HB LYS 15 1HB LYS 15 -3.931 0.047 -2.204
101 1HG LYS 15 2HG LYS 15 -3.629 2.179 -0.201
102 2HG LYS 15 1HG LYS 15 -2.826 2.467 -1.742
103 1HD LYS 15 2HD LYS 15 -5.751 1.913 -1.266
104 2HD LYS 15 1HD LYS 15 -5.021 3.395 -1.884
105 1HE LYS 15 2HE LYS 15 -4.127 1.452 -3.631
106 2HE LYS 15 1HE LYS 15 -5.784 0.962 -3.284
107 1HZ LYS 15 1HZ LYS 15 -6.115 3.569 -3.693
108 2HZ LYS 15 2HZ LYS 15 -6.234 2.416 -4.925
109 3HZ LYS 15 3HZ LYS 15 -4.799 3.288 -4.719
110 H TYR 16 H TYR 16 -1.208 -0.675 0.403
111 HA TYR 16 HA TYR 16 -0.950 -0.293 3.072
112 1HB TYR 16 2HB TYR 16 0.776 -0.429 0.907
113 2HB TYR 16 1HB TYR 16 1.153 1.125 1.639
114 HD1 TYR 16 1HD TYR 16 3.308 0.637 2.469
115 HD2 TYR 16 2HD TYR 16 0.035 -1.895 3.472
116 HE1 TYR 16 1HE TYR 16 4.696 -0.480 4.166
117 HE2 TYR 16 2HE TYR 16 1.416 -3.020 5.168
118 HH TYR 16 HH TYR 16 3.428 -2.500 6.544
119 H LYS 17 H LYS 17 -0.424 2.378 0.761
120 HA LYS 17 HA LYS 17 -0.221 4.450 2.548
121 1HB LYS 17 2HB LYS 17 -0.932 5.933 0.728
122 2HB LYS 17 1HB LYS 17 0.200 4.712 0.163
123 1HG LYS 17 2HG LYS 17 -1.299 3.773 -1.217
124 2HG LYS 17 1HG LYS 17 -2.631 3.976 -0.077
125 1HD LYS 17 2HD LYS 17 -3.353 5.752 -1.203
126 2HD LYS 17 1HD LYS 17 -1.797 6.553 -0.975
127 1HE LYS 17 2HE LYS 17 -1.204 4.780 -2.949
128 2HE LYS 17 1HE LYS 17 -2.885 5.161 -3.322
129 1HZ LYS 17 1HZ LYS 17 -1.937 6.870 -4.407
130 2HZ LYS 17 2HZ LYS 17 -0.525 6.845 -3.478
131 3HZ LYS 17 3HZ LYS 17 -1.915 7.596 -2.879
132 H GLN 18 H GLN 18 -3.085 2.719 1.636
133 HA GLN 18 HA GLN 18 -4.863 4.725 2.763
134 1HB GLN 18 2HB GLN 18 -5.120 2.448 0.987
135 2HB GLN 18 1HB GLN 18 -6.334 2.403 2.257
136 1HG GLN 18 2HG GLN 18 -5.971 5.013 0.955
137 2HG GLN 18 1HG GLN 18 -6.605 3.732 -0.076
138 1HE2 GLN 18 1HE2 GLN 18 -8.601 4.770 -0.231
139 2HE2 GLN 18 2HE2 GLN 18 -9.730 4.780 1.077
140 H CYS 19 H CYS 19 -3.808 1.420 3.443
141 HA CYS 19 HA CYS 19 -5.233 1.495 5.989
142 1HB CYS 19 2HB CYS 19 -5.516 -0.419 4.417
143 2HB CYS 19 1HB CYS 19 -3.827 -0.837 4.682
144 H HIS 20 H HIS 20 -2.646 -0.700 6.077
145 HA HIS 20 HA HIS 20 -1.474 0.406 8.328
146 1HB HIS 20 2HB HIS 20 -0.563 -1.609 6.311
147 2HB HIS 20 1HB HIS 20 0.566 -1.046 7.538
148 HD2 HIS 20 2HD HIS 20 0.326 -2.213 9.963
149 HE1 HIS 20 1HE HIS 20 -3.300 -4.249 9.176
150 HE2 HIS 20 2HE HIS 20 -1.497 -3.800 10.902
151 H GLY 21 H GLY 21 -0.242 0.534 4.977
152 1HA GLY 21 2HA GLY 21 2.051 1.982 5.343
153 2HA GLY 21 1HA GLY 21 1.027 2.144 3.926
154 H ARG 22 H ARG 22 -1.223 3.164 5.590
155 HA ARG 22 HA ARG 22 -0.478 5.489 6.969
156 1HB ARG 22 2HB ARG 22 -0.535 5.709 4.050
157 2HB ARG 22 1HB ARG 22 -1.560 6.888 4.855
158 1HG ARG 22 2HG ARG 22 1.082 6.631 6.063
159 2HG ARG 22 1HG ARG 22 1.118 7.159 4.379
160 1HD ARG 22 2HD ARG 22 -0.360 8.995 4.873
161 2HD ARG 22 1HD ARG 22 -0.580 8.423 6.525
162 HE ARG 22 HE ARG 22 1.398 9.419 7.092
163 1HH1 ARG 22 1HH1 ARG 22 1.244 9.136 3.618
164 2HH1 ARG 22 2HH1 ARG 22 2.675 10.073 3.352
165 1HH2 ARG 22 1HH2 ARG 22 3.281 10.651 6.746
166 2HH2 ARG 22 2HH2 ARG 22 3.833 10.933 5.128
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 10.391 -4.299 2.312
2 2H LYS 1 2HT LYS 1 11.521 -3.011 2.226
3 3H LYS 1 3HT LYS 1 11.001 -3.795 0.792
4 HA LYS 1 HA LYS 1 9.213 -2.331 2.608
5 1HB LYS 1 2HB LYS 1 11.074 -1.435 0.497
6 2HB LYS 1 1HB LYS 1 9.440 -0.800 0.366
7 1HG LYS 1 2HG LYS 1 10.397 0.810 1.662
8 2HG LYS 1 1HG LYS 1 9.792 -0.273 2.918
9 1HD LYS 1 2HD LYS 1 11.918 -1.155 3.341
10 2HD LYS 1 1HD LYS 1 12.567 -0.558 1.813
11 1HE LYS 1 2HE LYS 1 12.376 1.738 2.628
12 2HE LYS 1 1HE LYS 1 11.713 1.147 4.150
13 1HZ LYS 1 1HZ LYS 1 14.425 0.534 3.105
14 2HZ LYS 1 2HZ LYS 1 13.789 0.003 4.579
15 3HZ LYS 1 3HZ LYS 1 14.074 1.652 4.326
16 H VAL 2 H VAL 2 7.142 -1.983 1.709
17 HA VAL 2 HA VAL 2 6.454 -3.876 -0.443
18 HB VAL 2 HB VAL 2 5.405 -4.355 1.753
19 1HG1 VAL 2 1HG1 VAL 2 5.262 -1.903 2.395
20 2HG1 VAL 2 2HG1 VAL 2 3.856 -2.896 2.779
21 3HG1 VAL 2 3HG1 VAL 2 3.821 -1.820 1.380
22 1HG2 VAL 2 1HG2 VAL 2 3.536 -5.114 0.756
23 2HG2 VAL 2 2HG2 VAL 2 4.273 -4.465 -0.709
24 3HG2 VAL 2 3HG2 VAL 2 3.073 -3.515 0.171
25 H GLY 3 H GLY 3 5.151 -3.220 -2.139
26 1HA GLY 3 2HA GLY 3 5.319 -0.544 -2.969
27 2HA GLY 3 1HA GLY 3 4.242 -1.754 -3.658
28 H ARG 4 H ARG 4 4.533 0.920 -1.500
29 HA ARG 4 HA ARG 4 2.339 0.811 0.083
30 1HB ARG 4 2HB ARG 4 4.135 2.685 -0.313
31 2HB ARG 4 1HB ARG 4 2.870 3.385 -1.318
32 1HG ARG 4 2HG ARG 4 1.379 3.538 0.514
33 2HG ARG 4 1HG ARG 4 2.436 2.563 1.538
34 1HD ARG 4 2HD ARG 4 4.134 4.531 0.880
35 2HD ARG 4 1HD ARG 4 2.612 5.418 0.790
36 HE ARG 4 HE ARG 4 2.856 3.890 3.195
37 1HH1 ARG 4 1HH1 ARG 4 3.753 6.890 1.656
38 2HH1 ARG 4 2HH1 ARG 4 3.947 7.745 3.149
39 1HH2 ARG 4 1HH2 ARG 4 3.110 5.012 5.162
40 2HH2 ARG 4 2HH2 ARG 4 3.581 6.678 5.140
41 H ASN 5 H ASN 5 2.344 1.306 -3.368
42 HA ASN 5 HA ASN 5 -0.419 2.156 -3.423
43 1HB ASN 5 2HB ASN 5 1.537 2.789 -5.061
44 2HB ASN 5 1HB ASN 5 1.063 1.302 -5.879
45 1HD2 ASN 5 1HD2 ASN 5 0.030 4.491 -4.901
46 2HD2 ASN 5 2HD2 ASN 5 -1.297 4.610 -6.001
47 H ASP 6 H ASP 6 0.951 -0.760 -2.907
48 HA ASP 6 HA ASP 6 -0.989 -2.273 -4.500
49 1HB ASP 6 2HB ASP 6 1.266 -3.073 -4.747
50 2HB ASP 6 1HB ASP 6 1.503 -3.108 -3.004
51 HA PRO 7 HA PRO 7 -3.855 -3.057 -1.245
52 1HB PRO 7 2HB PRO 7 -3.841 -5.888 -1.510
53 2HB PRO 7 1HB PRO 7 -4.996 -4.752 -2.207
54 1HG PRO 7 2HG PRO 7 -2.615 -6.027 -3.440
55 2HG PRO 7 1HG PRO 7 -4.136 -5.512 -4.192
56 1HD PRO 7 2HD PRO 7 -1.883 -4.123 -4.553
57 2HD PRO 7 1HD PRO 7 -3.443 -3.295 -4.358
58 H CYS 8 H CYS 8 -3.288 -2.876 0.805
59 HA CYS 8 HA CYS 8 -1.026 -3.459 2.107
60 1HB CYS 8 2HB CYS 8 -3.344 -2.474 2.921
61 2HB CYS 8 1HB CYS 8 -3.543 -4.093 3.581
62 HA PRO 9 HA PRO 9 -0.385 -7.853 2.065
63 1HB PRO 9 2HB PRO 9 1.154 -8.010 4.352
64 2HB PRO 9 1HB PRO 9 1.769 -7.580 2.753
65 1HG PRO 9 2HG PRO 9 1.001 -5.802 5.030
66 2HG PRO 9 1HG PRO 9 2.378 -5.672 3.919
67 1HD PRO 9 2HD PRO 9 0.205 -4.135 3.628
68 2HD PRO 9 1HD PRO 9 1.082 -4.769 2.220
69 H CYS 10 H CYS 10 -1.633 -6.156 4.859
70 HA CYS 10 HA CYS 10 -2.264 -8.314 6.508
71 1HB CYS 10 2HB CYS 10 -3.840 -6.840 7.603
72 2HB CYS 10 1HB CYS 10 -2.397 -5.927 7.181
73 H GLY 11 H GLY 11 -4.044 -6.906 3.801
74 1HA GLY 11 2HA GLY 11 -5.502 -8.101 2.395
75 2HA GLY 11 1HA GLY 11 -5.606 -9.362 3.613
76 H SER 12 H SER 12 -6.156 -5.883 3.986
77 HA SER 12 HA SER 12 -8.748 -6.460 5.178
78 1HB SER 12 2HB SER 12 -6.774 -4.326 5.381
79 2HB SER 12 1HB SER 12 -8.409 -3.696 5.182
80 HG SER 12 HG SER 12 -9.037 -4.724 7.015
81 H GLY 13 H GLY 13 -7.389 -4.653 2.453
82 1HA GLY 13 2HA GLY 13 -9.077 -5.050 0.482
83 2HA GLY 13 1HA GLY 13 -10.088 -4.033 1.498
84 H LYS 14 H LYS 14 -7.982 -2.339 2.449
85 HA LYS 14 HA LYS 14 -7.720 -0.641 0.098
86 1HB LYS 14 2HB LYS 14 -6.826 0.060 2.886
87 2HB LYS 14 1HB LYS 14 -7.295 1.144 1.584
88 1HG LYS 14 2HG LYS 14 -9.254 1.273 2.635
89 2HG LYS 14 1HG LYS 14 -9.571 -0.324 1.953
90 1HD LYS 14 2HD LYS 14 -8.148 -0.979 4.169
91 2HD LYS 14 1HD LYS 14 -8.987 0.471 4.724
92 1HE LYS 14 2HE LYS 14 -10.940 -0.961 3.381
93 2HE LYS 14 1HE LYS 14 -10.013 -2.200 4.224
94 1HZ LYS 14 1HZ LYS 14 -11.844 -1.344 5.568
95 2HZ LYS 14 2HZ LYS 14 -11.190 0.214 5.494
96 3HZ LYS 14 3HZ LYS 14 -10.348 -1.019 6.291
97 H LYS 15 H LYS 15 -5.639 0.556 -0.211
98 HA LYS 15 HA LYS 15 -3.495 -1.317 -0.441
99 1HB LYS 15 2HB LYS 15 -3.287 1.667 -0.823
100 2HB LYS 15 1HB LYS 15 -2.287 0.415 -1.546
101 1HG LYS 15 2HG LYS 15 -5.221 0.747 -2.115
102 2HG LYS 15 1HG LYS 15 -3.936 1.465 -3.088
103 1HD LYS 15 2HD LYS 15 -4.139 -0.447 -4.272
104 2HD LYS 15 1HD LYS 15 -3.092 -1.091 -3.005
105 1HE LYS 15 2HE LYS 15 -4.777 -2.652 -3.014
106 2HE LYS 15 1HE LYS 15 -5.358 -1.538 -1.778
107 1HZ LYS 15 1HZ LYS 15 -6.220 -1.624 -4.618
108 2HZ LYS 15 2HZ LYS 15 -6.724 -0.464 -3.496
109 3HZ LYS 15 3HZ LYS 15 -7.135 -2.089 -3.274
110 H TYR 16 H TYR 16 -1.192 -0.232 0.156
111 HA TYR 16 HA TYR 16 -0.915 -0.533 2.911
112 1HB TYR 16 2HB TYR 16 0.818 -0.503 0.869
113 2HB TYR 16 1HB TYR 16 1.087 1.126 1.475
114 HD1 TYR 16 1HD TYR 16 0.274 -1.863 3.513
115 HD2 TYR 16 2HD TYR 16 3.275 0.909 2.319
116 HE1 TYR 16 1HE TYR 16 1.770 -2.745 5.251
117 HE2 TYR 16 2HE TYR 16 4.780 0.035 4.058
118 HH TYR 16 HH TYR 16 3.721 -2.000 6.556
119 H LYS 17 H LYS 17 -0.297 2.504 1.142
120 HA LYS 17 HA LYS 17 -0.315 4.170 3.370
121 1HB LYS 17 2HB LYS 17 -0.918 5.983 1.655
122 2HB LYS 17 1HB LYS 17 0.579 5.094 1.414
123 1HG LYS 17 2HG LYS 17 -0.086 4.334 -0.563
124 2HG LYS 17 1HG LYS 17 -1.643 3.809 0.082
125 1HD LYS 17 2HD LYS 17 -2.638 5.892 -0.318
126 2HD LYS 17 1HD LYS 17 -1.080 6.702 -0.491
127 1HE LYS 17 2HE LYS 17 -1.499 6.518 -2.692
128 2HE LYS 17 1HE LYS 17 -0.919 4.867 -2.473
129 1HZ LYS 17 1HZ LYS 17 -3.087 4.040 -2.412
130 2HZ LYS 17 2HZ LYS 17 -3.122 5.179 -3.661
131 3HZ LYS 17 3HZ LYS 17 -3.775 5.564 -2.149
132 H GLN 18 H GLN 18 -2.947 2.645 1.792
133 HA GLN 18 HA GLN 18 -4.932 4.531 2.764
134 1HB GLN 18 2HB GLN 18 -5.454 1.846 1.502
135 2HB GLN 18 1HB GLN 18 -6.527 3.240 1.570
136 1HG GLN 18 2HG GLN 18 -3.971 3.698 0.194
137 2HG GLN 18 1HG GLN 18 -5.059 2.551 -0.585
138 1HE2 GLN 18 1HE2 GLN 18 -7.014 3.262 -1.398
139 2HE2 GLN 18 2HE2 GLN 18 -7.378 4.938 -1.613
140 H CYS 19 H CYS 19 -3.595 1.423 3.590
141 HA CYS 19 HA CYS 19 -5.590 1.115 5.718
142 1HB CYS 19 2HB CYS 19 -5.306 -0.709 4.041
143 2HB CYS 19 1HB CYS 19 -3.677 -0.957 4.639
144 H HIS 20 H HIS 20 -2.358 -0.313 5.643
145 HA HIS 20 HA HIS 20 -1.918 0.643 8.344
146 1HB HIS 20 2HB HIS 20 -0.665 -1.407 6.582
147 2HB HIS 20 1HB HIS 20 0.304 -0.737 7.889
148 HD2 HIS 20 2HD HIS 20 -0.684 -1.255 10.490
149 HE1 HIS 20 1HE HIS 20 -3.265 -4.339 9.175
150 HE2 HIS 20 2HE HIS 20 -2.326 -3.133 11.198
151 H GLY 21 H GLY 21 -0.178 0.793 5.233
152 1HA GLY 21 2HA GLY 21 1.983 2.324 5.928
153 2HA GLY 21 1HA GLY 21 1.178 2.444 4.372
154 H ARG 22 H ARG 22 -1.330 3.397 5.577
155 HA ARG 22 HA ARG 22 -2.362 5.362 6.064
156 1HB ARG 22 2HB ARG 22 -0.206 5.131 7.922
157 2HB ARG 22 1HB ARG 22 -0.350 6.819 7.454
158 1HG ARG 22 2HG ARG 22 -2.337 7.080 8.486
159 2HG ARG 22 1HG ARG 22 -2.870 5.439 8.115
160 1HD ARG 22 2HD ARG 22 -0.927 4.836 9.820
161 2HD ARG 22 1HD ARG 22 -1.286 6.457 10.413
162 HE ARG 22 HE ARG 22 -2.929 4.110 10.667
163 1HH1 ARG 22 1HH1 ARG 22 -2.906 7.600 10.632
164 2HH1 ARG 22 2HH1 ARG 22 -4.370 7.743 11.545
165 1HH2 ARG 22 1HH2 ARG 22 -4.855 4.296 11.867
166 2HH2 ARG 22 2HH2 ARG 22 -5.476 5.868 12.247
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 11.316 -2.736 1.157
2 2H LYS 1 2HT LYS 1 11.879 -1.497 2.201
3 3H LYS 1 3HT LYS 1 11.533 -1.146 0.557
4 HA LYS 1 HA LYS 1 9.694 -1.736 2.757
5 1HB LYS 1 2HB LYS 1 10.423 0.534 1.003
6 2HB LYS 1 1HB LYS 1 8.707 0.350 1.337
7 1HG LYS 1 2HG LYS 1 9.011 0.643 3.642
8 2HG LYS 1 1HG LYS 1 10.752 0.379 3.531
9 1HD LYS 1 2HD LYS 1 10.835 2.632 3.605
10 2HD LYS 1 1HD LYS 1 10.475 2.500 1.883
11 1HE LYS 1 2HE LYS 1 8.384 3.304 2.128
12 2HE LYS 1 1HE LYS 1 8.132 2.465 3.657
13 1HZ LYS 1 1HZ LYS 1 9.784 4.218 4.549
14 2HZ LYS 1 2HZ LYS 1 8.171 4.659 4.295
15 3HZ LYS 1 3HZ LYS 1 9.353 5.096 3.168
16 H VAL 2 H VAL 2 7.349 -1.220 1.763
17 HA VAL 2 HA VAL 2 6.997 -3.180 -0.404
18 HB VAL 2 HB VAL 2 5.886 -3.752 1.725
19 1HG1 VAL 2 1HG1 VAL 2 3.846 -2.382 2.336
20 2HG1 VAL 2 2HG1 VAL 2 4.486 -1.124 1.278
21 3HG1 VAL 2 3HG1 VAL 2 5.409 -1.646 2.690
22 1HG2 VAL 2 1HG2 VAL 2 4.909 -4.077 -0.734
23 2HG2 VAL 2 2HG2 VAL 2 3.611 -3.092 -0.058
24 3HG2 VAL 2 3HG2 VAL 2 4.047 -4.621 0.706
25 H GLY 3 H GLY 3 5.532 -2.756 -2.094
26 1HA GLY 3 2HA GLY 3 5.455 -0.027 -2.938
27 2HA GLY 3 1HA GLY 3 4.705 -1.391 -3.760
28 H ARG 4 H ARG 4 4.326 0.895 -1.111
29 HA ARG 4 HA ARG 4 1.988 0.394 0.016
30 1HB ARG 4 2HB ARG 4 1.534 3.019 -0.346
31 2HB ARG 4 1HB ARG 4 2.672 2.373 0.823
32 1HG ARG 4 2HG ARG 4 4.288 2.565 -1.310
33 2HG ARG 4 1HG ARG 4 3.152 3.864 -1.674
34 1HD ARG 4 2HD ARG 4 4.061 3.773 1.109
35 2HD ARG 4 1HD ARG 4 5.339 4.092 -0.065
36 HE ARG 4 HE ARG 4 2.993 5.708 -0.448
37 1HH1 ARG 4 1HH1 ARG 4 6.022 5.429 1.264
38 2HH1 ARG 4 2HH1 ARG 4 6.168 7.133 1.537
39 1HH2 ARG 4 1HH2 ARG 4 3.183 7.949 -0.089
40 2HH2 ARG 4 2HH2 ARG 4 4.556 8.564 0.769
41 H ASN 5 H ASN 5 2.265 1.392 -3.329
42 HA ASN 5 HA ASN 5 -0.459 2.007 -3.757
43 1HB ASN 5 2HB ASN 5 1.691 2.416 -5.234
44 2HB ASN 5 1HB ASN 5 1.216 0.884 -5.960
45 1HD2 ASN 5 1HD2 ASN 5 -0.091 1.018 -7.625
46 2HD2 ASN 5 2HD2 ASN 5 -1.168 2.322 -7.977
47 H ASP 6 H ASP 6 0.857 -0.919 -2.921
48 HA ASP 6 HA ASP 6 -1.054 -2.490 -4.487
49 1HB ASP 6 2HB ASP 6 1.191 -3.348 -4.603
50 2HB ASP 6 1HB ASP 6 1.369 -3.276 -2.854
51 HA PRO 7 HA PRO 7 -3.990 -2.963 -1.233
52 1HB PRO 7 2HB PRO 7 -4.241 -5.772 -1.415
53 2HB PRO 7 1HB PRO 7 -5.240 -4.565 -2.227
54 1HG PRO 7 2HG PRO 7 -2.916 -6.108 -3.259
55 2HG PRO 7 1HG PRO 7 -4.362 -5.541 -4.114
56 1HD PRO 7 2HD PRO 7 -2.001 -4.331 -4.447
57 2HD PRO 7 1HD PRO 7 -3.508 -3.393 -4.386
58 H CYS 8 H CYS 8 -3.464 -2.821 0.831
59 HA CYS 8 HA CYS 8 -1.259 -3.504 2.172
60 1HB CYS 8 2HB CYS 8 -3.484 -2.396 2.983
61 2HB CYS 8 1HB CYS 8 -3.869 -4.016 3.554
62 HA PRO 9 HA PRO 9 -0.848 -7.928 2.099
63 1HB PRO 9 2HB PRO 9 0.858 -8.177 4.231
64 2HB PRO 9 1HB PRO 9 1.367 -7.690 2.611
65 1HG PRO 9 2HG PRO 9 0.785 -5.991 5.003
66 2HG PRO 9 1HG PRO 9 2.108 -5.858 3.829
67 1HD PRO 9 2HD PRO 9 -0.043 -4.257 3.712
68 2HD PRO 9 1HD PRO 9 0.764 -4.838 2.242
69 H CYS 10 H CYS 10 -1.969 -6.143 4.865
70 HA CYS 10 HA CYS 10 -2.476 -8.207 6.665
71 1HB CYS 10 2HB CYS 10 -4.039 -6.721 7.736
72 2HB CYS 10 1HB CYS 10 -2.676 -5.768 7.160
73 H GLY 11 H GLY 11 -4.269 -7.164 3.839
74 1HA GLY 11 2HA GLY 11 -5.685 -8.590 2.599
75 2HA GLY 11 1HA GLY 11 -5.872 -9.604 4.022
76 H SER 12 H SER 12 -6.263 -6.113 4.013
77 HA SER 12 HA SER 12 -8.989 -6.453 4.976
78 1HB SER 12 2HB SER 12 -7.323 -4.890 6.076
79 2HB SER 12 1HB SER 12 -7.470 -3.860 4.652
80 HG SER 12 HG SER 12 -9.185 -4.199 6.754
81 H GLY 13 H GLY 13 -7.268 -4.844 2.325
82 1HA GLY 13 2HA GLY 13 -8.609 -5.202 0.162
83 2HA GLY 13 1HA GLY 13 -9.861 -4.324 1.029
84 H LYS 14 H LYS 14 -7.839 -2.590 2.338
85 HA LYS 14 HA LYS 14 -7.602 -0.671 0.164
86 1HB LYS 14 2HB LYS 14 -6.910 -0.305 3.082
87 2HB LYS 14 1HB LYS 14 -7.127 0.960 1.881
88 1HG LYS 14 2HG LYS 14 -9.483 0.424 1.700
89 2HG LYS 14 1HG LYS 14 -9.285 -0.909 2.838
90 1HD LYS 14 2HD LYS 14 -9.965 0.648 4.332
91 2HD LYS 14 1HD LYS 14 -8.258 1.096 4.302
92 1HE LYS 14 2HE LYS 14 -9.055 3.152 3.855
93 2HE LYS 14 1HE LYS 14 -9.191 2.533 2.209
94 1HZ LYS 14 1HZ LYS 14 -11.420 2.488 2.320
95 2HZ LYS 14 2HZ LYS 14 -11.215 3.619 3.562
96 3HZ LYS 14 3HZ LYS 14 -11.455 1.987 3.936
97 H LYS 15 H LYS 15 -5.622 0.497 -0.234
98 HA LYS 15 HA LYS 15 -3.353 -1.242 -0.349
99 1HB LYS 15 2HB LYS 15 -3.893 1.580 -1.213
100 2HB LYS 15 1HB LYS 15 -2.252 0.953 -1.223
101 1HG LYS 15 2HG LYS 15 -3.157 0.696 -3.408
102 2HG LYS 15 1HG LYS 15 -3.043 -0.906 -2.678
103 1HD LYS 15 2HD LYS 15 -5.162 -0.669 -3.834
104 2HD LYS 15 1HD LYS 15 -5.433 -0.785 -2.093
105 1HE LYS 15 2HE LYS 15 -6.236 1.317 -1.948
106 2HE LYS 15 1HE LYS 15 -5.093 1.944 -3.135
107 1HZ LYS 15 1HZ LYS 15 -6.555 0.611 -4.786
108 2HZ LYS 15 2HZ LYS 15 -7.084 2.121 -4.239
109 3HZ LYS 15 3HZ LYS 15 -7.726 0.707 -3.568
110 H TYR 16 H TYR 16 -1.192 -0.621 0.439
111 HA TYR 16 HA TYR 16 -1.002 -0.408 3.149
112 1HB TYR 16 2HB TYR 16 0.780 -0.673 1.115
113 2HB TYR 16 1HB TYR 16 1.185 0.938 1.697
114 HD1 TYR 16 1HD TYR 16 3.246 0.634 2.739
115 HD2 TYR 16 2HD TYR 16 0.041 -2.009 3.659
116 HE1 TYR 16 1HE TYR 16 4.588 -0.355 4.550
117 HE2 TYR 16 2HE TYR 16 1.372 -3.006 5.470
118 HH TYR 16 HH TYR 16 3.765 -3.253 6.077
119 H LYS 17 H LYS 17 -0.355 2.319 0.936
120 HA LYS 17 HA LYS 17 -0.052 4.309 2.817
121 1HB LYS 17 2HB LYS 17 -0.724 5.888 1.023
122 2HB LYS 17 1HB LYS 17 0.459 4.699 0.496
123 1HG LYS 17 2HG LYS 17 -1.881 3.460 -0.138
124 2HG LYS 17 1HG LYS 17 -2.283 5.157 -0.408
125 1HD LYS 17 2HD LYS 17 0.115 3.739 -1.567
126 2HD LYS 17 1HD LYS 17 -1.395 4.045 -2.429
127 1HE LYS 17 2HE LYS 17 -1.075 6.422 -2.251
128 2HE LYS 17 1HE LYS 17 0.343 6.195 -1.228
129 1HZ LYS 17 1HZ LYS 17 0.323 4.982 -3.898
130 2HZ LYS 17 2HZ LYS 17 1.627 5.557 -2.988
131 3HZ LYS 17 3HZ LYS 17 0.595 6.647 -3.768
132 H GLN 18 H GLN 18 -2.979 2.759 1.791
133 HA GLN 18 HA GLN 18 -4.660 4.814 2.997
134 1HB GLN 18 2HB GLN 18 -5.555 2.195 1.804
135 2HB GLN 18 1HB GLN 18 -6.519 3.640 2.075
136 1HG GLN 18 2HG GLN 18 -4.449 4.486 0.430
137 2HG GLN 18 1HG GLN 18 -4.899 2.901 -0.194
138 1HE2 GLN 18 1HE2 GLN 18 -5.650 6.176 -0.117
139 2HE2 GLN 18 2HE2 GLN 18 -7.194 6.102 -0.890
140 H CYS 19 H CYS 19 -3.609 1.516 3.556
141 HA CYS 19 HA CYS 19 -5.197 1.418 6.013
142 1HB CYS 19 2HB CYS 19 -5.307 -0.408 4.245
143 2HB CYS 19 1HB CYS 19 -3.687 -0.868 4.754
144 H HIS 20 H HIS 20 -2.745 -0.819 6.304
145 HA HIS 20 HA HIS 20 -1.599 0.366 8.538
146 1HB HIS 20 2HB HIS 20 -0.692 -1.843 6.714
147 2HB HIS 20 1HB HIS 20 0.316 -1.311 8.055
148 HD2 HIS 20 2HD HIS 20 -0.511 -2.074 10.567
149 HE1 HIS 20 1HE HIS 20 -3.843 -4.313 9.227
150 HE2 HIS 20 2HE HIS 20 -2.488 -3.608 11.250
151 H GLY 21 H GLY 21 -0.362 0.241 5.202
152 1HA GLY 21 2HA GLY 21 2.076 1.491 5.573
153 2HA GLY 21 1HA GLY 21 1.122 1.610 4.104
154 H ARG 22 H ARG 22 -1.092 2.898 5.711
155 HA ARG 22 HA ARG 22 -0.417 5.577 5.174
156 1HB ARG 22 2HB ARG 22 -2.745 4.493 5.377
157 2HB ARG 22 1HB ARG 22 -2.573 4.752 7.107
158 1HG ARG 22 2HG ARG 22 -2.335 7.144 6.742
159 2HG ARG 22 1HG ARG 22 -2.464 6.900 5.000
160 1HD ARG 22 2HD ARG 22 -4.718 5.930 5.352
161 2HD ARG 22 1HD ARG 22 -4.581 6.318 7.067
162 HE ARG 22 HE ARG 22 -5.037 8.508 6.574
163 1HH1 ARG 22 1HH1 ARG 22 -4.216 6.833 3.624
164 2HH1 ARG 22 2HH1 ARG 22 -4.660 8.157 2.601
165 1HH2 ARG 22 1HH2 ARG 22 -5.619 10.251 5.230
166 2HH2 ARG 22 2HH2 ARG 22 -5.455 10.099 3.512
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 10.920 -2.543 3.585
2 2H LYS 1 2HT LYS 1 10.812 -3.803 2.424
3 3H LYS 1 3HT LYS 1 9.447 -3.396 3.382
4 HA LYS 1 HA LYS 1 9.444 -1.200 2.381
5 1HB LYS 1 2HB LYS 1 11.583 -2.481 0.667
6 2HB LYS 1 1HB LYS 1 10.790 -0.957 0.292
7 1HG LYS 1 2HG LYS 1 12.222 0.144 1.568
8 2HG LYS 1 1HG LYS 1 11.795 -0.850 2.961
9 1HD LYS 1 2HD LYS 1 13.373 -2.557 1.550
10 2HD LYS 1 1HD LYS 1 14.117 -1.003 1.167
11 1HE LYS 1 2HE LYS 1 14.209 -0.514 3.603
12 2HE LYS 1 1HE LYS 1 13.609 -2.143 3.912
13 1HZ LYS 1 1HZ LYS 1 15.676 -2.671 2.326
14 2HZ LYS 1 2HZ LYS 1 15.793 -2.604 4.012
15 3HZ LYS 1 3HZ LYS 1 16.248 -1.267 3.080
16 H VAL 2 H VAL 2 7.443 -1.398 1.626
17 HA VAL 2 HA VAL 2 6.917 -3.424 -0.454
18 HB VAL 2 HB VAL 2 5.738 -3.892 1.681
19 1HG1 VAL 2 1HG1 VAL 2 5.409 -1.691 2.555
20 2HG1 VAL 2 2HG1 VAL 2 3.818 -2.399 2.275
21 3HG1 VAL 2 3HG1 VAL 2 4.465 -1.210 1.144
22 1HG2 VAL 2 1HG2 VAL 2 3.650 -3.074 -0.299
23 2HG2 VAL 2 2HG2 VAL 2 3.763 -4.543 0.671
24 3HG2 VAL 2 3HG2 VAL 2 4.824 -4.321 -0.720
25 H GLY 3 H GLY 3 5.243 -2.873 -2.007
26 1HA GLY 3 2HA GLY 3 5.481 -0.110 -2.849
27 2HA GLY 3 1HA GLY 3 4.686 -1.410 -3.731
28 H ARG 4 H ARG 4 4.337 0.942 -1.161
29 HA ARG 4 HA ARG 4 1.962 0.533 -0.042
30 1HB ARG 4 2HB ARG 4 1.602 3.161 -0.503
31 2HB ARG 4 1HB ARG 4 2.677 2.513 0.724
32 1HG ARG 4 2HG ARG 4 4.393 2.580 -1.307
33 2HG ARG 4 1HG ARG 4 3.301 3.864 -1.829
34 1HD ARG 4 2HD ARG 4 3.686 5.119 0.118
35 2HD ARG 4 1HD ARG 4 4.406 3.744 0.954
36 HE ARG 4 HE ARG 4 6.416 4.223 -0.045
37 1HH1 ARG 4 1HH1 ARG 4 3.890 6.029 -1.639
38 2HH1 ARG 4 2HH1 ARG 4 4.991 6.987 -2.570
39 1HH2 ARG 4 1HH2 ARG 4 7.865 5.482 -1.268
40 2HH2 ARG 4 2HH2 ARG 4 7.248 6.676 -2.361
41 H ASN 5 H ASN 5 2.348 1.359 -3.416
42 HA ASN 5 HA ASN 5 -0.368 2.043 -3.895
43 1HB ASN 5 2HB ASN 5 1.820 2.432 -5.328
44 2HB ASN 5 1HB ASN 5 1.339 0.907 -6.064
45 1HD2 ASN 5 1HD2 ASN 5 0.011 4.062 -5.154
46 2HD2 ASN 5 2HD2 ASN 5 -1.020 4.218 -6.531
47 H ASP 6 H ASP 6 0.835 -0.857 -2.937
48 HA ASP 6 HA ASP 6 -1.062 -2.422 -4.542
49 1HB ASP 6 2HB ASP 6 1.179 -3.275 -4.740
50 2HB ASP 6 1HB ASP 6 1.404 -3.243 -2.996
51 HA PRO 7 HA PRO 7 -3.918 -2.970 -1.230
52 1HB PRO 7 2HB PRO 7 -4.142 -5.779 -1.447
53 2HB PRO 7 1HB PRO 7 -5.176 -4.570 -2.210
54 1HG PRO 7 2HG PRO 7 -2.865 -6.068 -3.333
55 2HG PRO 7 1HG PRO 7 -4.339 -5.498 -4.138
56 1HD PRO 7 2HD PRO 7 -2.000 -4.261 -4.512
57 2HD PRO 7 1HD PRO 7 -3.511 -3.337 -4.387
58 H CYS 8 H CYS 8 -3.397 -2.878 0.839
59 HA CYS 8 HA CYS 8 -1.158 -3.563 2.139
60 1HB CYS 8 2HB CYS 8 -3.444 -2.500 2.952
61 2HB CYS 8 1HB CYS 8 -3.710 -4.119 3.587
62 HA PRO 9 HA PRO 9 -0.747 -7.986 2.028
63 1HB PRO 9 2HB PRO 9 0.887 -8.269 4.217
64 2HB PRO 9 1HB PRO 9 1.449 -7.781 2.615
65 1HG PRO 9 2HG PRO 9 0.816 -6.086 4.998
66 2HG PRO 9 1HG PRO 9 2.168 -5.957 3.858
67 1HD PRO 9 2HD PRO 9 0.035 -4.338 3.695
68 2HD PRO 9 1HD PRO 9 0.870 -4.923 2.241
69 H CYS 10 H CYS 10 -1.844 -6.260 4.861
70 HA CYS 10 HA CYS 10 -2.478 -8.410 6.528
71 1HB CYS 10 2HB CYS 10 -3.946 -6.894 7.700
72 2HB CYS 10 1HB CYS 10 -2.503 -6.014 7.208
73 H GLY 11 H GLY 11 -4.117 -7.130 3.728
74 1HA GLY 11 2HA GLY 11 -5.693 -8.254 2.425
75 2HA GLY 11 1HA GLY 11 -5.866 -9.447 3.703
76 H SER 12 H SER 12 -6.181 -5.941 4.004
77 HA SER 12 HA SER 12 -8.828 -6.317 5.153
78 1HB SER 12 2HB SER 12 -6.952 -3.959 4.999
79 2HB SER 12 1HB SER 12 -8.607 -3.805 5.588
80 HG SER 12 HG SER 12 -7.707 -4.344 7.418
81 H GLY 13 H GLY 13 -7.307 -4.934 2.318
82 1HA GLY 13 2HA GLY 13 -8.914 -5.100 0.350
83 2HA GLY 13 1HA GLY 13 -9.959 -4.090 1.339
84 H LYS 14 H LYS 14 -7.986 -2.370 2.399
85 HA LYS 14 HA LYS 14 -7.607 -0.642 0.104
86 1HB LYS 14 2HB LYS 14 -6.741 -0.041 2.924
87 2HB LYS 14 1HB LYS 14 -7.173 1.092 1.650
88 1HG LYS 14 2HG LYS 14 -9.473 0.591 1.850
89 2HG LYS 14 1HG LYS 14 -9.150 -0.818 2.863
90 1HD LYS 14 2HD LYS 14 -8.050 0.914 4.461
91 2HD LYS 14 1HD LYS 14 -9.005 2.091 3.555
92 1HE LYS 14 2HE LYS 14 -10.788 0.037 4.116
93 2HE LYS 14 1HE LYS 14 -9.832 0.197 5.589
94 1HZ LYS 14 1HZ LYS 14 -10.672 2.227 6.019
95 2HZ LYS 14 2HZ LYS 14 -11.960 1.689 5.064
96 3HZ LYS 14 3HZ LYS 14 -10.763 2.677 4.390
97 H LYS 15 H LYS 15 -5.501 0.565 -0.097
98 HA LYS 15 HA LYS 15 -3.373 -1.333 -0.361
99 1HB LYS 15 2HB LYS 15 -3.054 1.642 -0.653
100 2HB LYS 15 1HB LYS 15 -2.162 0.362 -1.459
101 1HG LYS 15 2HG LYS 15 -5.083 0.880 -1.927
102 2HG LYS 15 1HG LYS 15 -3.794 1.603 -2.888
103 1HD LYS 15 2HD LYS 15 -4.104 -0.221 -4.181
104 2HD LYS 15 1HD LYS 15 -3.061 -0.988 -2.982
105 1HE LYS 15 2HE LYS 15 -4.885 -2.441 -3.193
106 2HE LYS 15 1HE LYS 15 -5.208 -1.532 -1.717
107 1HZ LYS 15 1HZ LYS 15 -6.609 -1.489 -4.268
108 2HZ LYS 15 2HZ LYS 15 -6.444 0.000 -3.484
109 3HZ LYS 15 3HZ LYS 15 -7.209 -1.288 -2.698
110 H TYR 16 H TYR 16 -1.071 -0.250 0.304
111 HA TYR 16 HA TYR 16 -0.901 -0.602 3.077
112 1HB TYR 16 2HB TYR 16 0.899 -0.621 1.081
113 2HB TYR 16 1HB TYR 16 1.231 0.974 1.747
114 HD1 TYR 16 1HD TYR 16 0.183 -2.056 3.609
115 HD2 TYR 16 2HD TYR 16 3.346 0.645 2.713
116 HE1 TYR 16 1HE TYR 16 1.542 -3.077 5.382
117 HE2 TYR 16 2HE TYR 16 4.721 -0.374 4.485
118 HH TYR 16 HH TYR 16 3.429 -2.556 6.791
119 H LYS 17 H LYS 17 -0.424 2.406 1.208
120 HA LYS 17 HA LYS 17 -0.329 4.093 3.462
121 1HB LYS 17 2HB LYS 17 -0.877 5.909 1.773
122 2HB LYS 17 1HB LYS 17 0.555 4.946 1.438
123 1HG LYS 17 2HG LYS 17 -0.287 4.137 -0.466
124 2HG LYS 17 1HG LYS 17 -1.886 3.885 0.235
125 1HD LYS 17 2HD LYS 17 -2.467 6.183 -0.094
126 2HD LYS 17 1HD LYS 17 -0.816 6.585 -0.569
127 1HE LYS 17 2HE LYS 17 -1.046 5.673 -2.653
128 2HE LYS 17 1HE LYS 17 -2.242 4.491 -2.120
129 1HZ LYS 17 1HZ LYS 17 -3.615 5.877 -3.225
130 2HZ LYS 17 2HZ LYS 17 -2.617 7.230 -3.034
131 3HZ LYS 17 3HZ LYS 17 -3.611 6.726 -1.761
132 H GLN 18 H GLN 18 -2.961 2.699 1.698
133 HA GLN 18 HA GLN 18 -4.940 4.473 2.902
134 1HB GLN 18 2HB GLN 18 -5.507 2.053 1.212
135 2HB GLN 18 1HB GLN 18 -6.517 3.474 1.454
136 1HG GLN 18 2HG GLN 18 -4.181 4.485 0.355
137 2HG GLN 18 1HG GLN 18 -4.462 2.979 -0.518
138 1HE2 GLN 18 1HE2 GLN 18 -6.818 2.690 -1.196
139 2HE2 GLN 18 2HE2 GLN 18 -7.577 4.073 -1.899
140 H CYS 19 H CYS 19 -3.254 2.214 4.278
141 HA CYS 19 HA CYS 19 -5.487 1.272 5.878
142 1HB CYS 19 2HB CYS 19 -5.043 -0.331 3.934
143 2HB CYS 19 1HB CYS 19 -3.544 -0.742 4.763
144 H HIS 20 H HIS 20 -2.167 0.037 5.600
145 HA HIS 20 HA HIS 20 -1.750 0.865 8.386
146 1HB HIS 20 2HB HIS 20 -0.678 -1.403 6.742
147 2HB HIS 20 1HB HIS 20 0.217 -0.837 8.150
148 HD2 HIS 20 2HD HIS 20 -1.218 -1.070 10.616
149 HE1 HIS 20 1HE HIS 20 -3.844 -3.992 9.046
150 HE2 HIS 20 2HE HIS 20 -3.117 -2.757 11.138
151 H GLY 21 H GLY 21 0.741 0.045 6.019
152 1HA GLY 21 2HA GLY 21 2.618 1.186 5.362
153 2HA GLY 21 1HA GLY 21 1.529 2.551 5.181
154 H ARG 22 H ARG 22 1.237 3.976 6.970
155 HA ARG 22 HA ARG 22 3.642 4.132 8.638
156 1HB ARG 22 2HB ARG 22 1.969 6.066 7.295
157 2HB ARG 22 1HB ARG 22 2.098 6.453 9.006
158 1HG ARG 22 2HG ARG 22 4.342 6.865 8.889
159 2HG ARG 22 1HG ARG 22 4.581 5.790 7.510
160 1HD ARG 22 2HD ARG 22 3.330 7.430 6.109
161 2HD ARG 22 1HD ARG 22 3.305 8.522 7.493
162 HE ARG 22 HE ARG 22 5.940 7.626 6.774
163 1HH1 ARG 22 1HH1 ARG 22 3.457 10.000 6.153
164 2HH1 ARG 22 2HH1 ARG 22 4.565 11.182 5.540
165 1HH2 ARG 22 1HH2 ARG 22 7.398 9.179 5.969
166 2HH2 ARG 22 2HH2 ARG 22 6.803 10.716 5.435
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 11.918 -1.556 2.053
2 2H LYS 1 2HT LYS 1 11.467 -1.741 0.408
3 3H LYS 1 3HT LYS 1 11.342 -3.068 1.488
4 HA LYS 1 HA LYS 1 9.662 -1.979 2.720
5 1HB LYS 1 2HB LYS 1 10.805 0.298 1.597
6 2HB LYS 1 1HB LYS 1 9.224 0.200 0.834
7 1HG LYS 1 2HG LYS 1 8.573 1.350 2.647
8 2HG LYS 1 1HG LYS 1 8.537 -0.246 3.398
9 1HD LYS 1 2HD LYS 1 11.102 1.265 3.401
10 2HD LYS 1 1HD LYS 1 9.827 1.775 4.508
11 1HE LYS 1 2HE LYS 1 10.323 -1.119 4.441
12 2HE LYS 1 1HE LYS 1 11.668 -0.152 5.044
13 1HZ LYS 1 1HZ LYS 1 9.045 0.518 6.099
14 2HZ LYS 1 2HZ LYS 1 10.538 0.426 6.887
15 3HZ LYS 1 3HZ LYS 1 9.663 -0.985 6.570
16 H VAL 2 H VAL 2 7.361 -1.477 1.788
17 HA VAL 2 HA VAL 2 6.974 -3.313 -0.472
18 HB VAL 2 HB VAL 2 5.802 -3.883 1.630
19 1HG1 VAL 2 1HG1 VAL 2 3.794 -2.450 2.213
20 2HG1 VAL 2 2HG1 VAL 2 4.511 -1.197 1.201
21 3HG1 VAL 2 3HG1 VAL 2 5.373 -1.782 2.626
22 1HG2 VAL 2 1HG2 VAL 2 3.816 -4.540 0.614
23 2HG2 VAL 2 2HG2 VAL 2 4.900 -4.305 -0.757
24 3HG2 VAL 2 3HG2 VAL 2 3.709 -3.069 -0.355
25 H GLY 3 H GLY 3 5.305 -2.819 -2.042
26 1HA GLY 3 2HA GLY 3 5.444 -0.065 -2.888
27 2HA GLY 3 1HA GLY 3 4.634 -1.381 -3.732
28 H ARG 4 H ARG 4 4.349 0.959 -1.135
29 HA ARG 4 HA ARG 4 2.001 0.538 0.030
30 1HB ARG 4 2HB ARG 4 1.632 3.173 -0.394
31 2HB ARG 4 1HB ARG 4 2.726 2.509 0.805
32 1HG ARG 4 2HG ARG 4 4.421 2.601 -1.227
33 2HG ARG 4 1HG ARG 4 3.314 3.868 -1.757
34 1HD ARG 4 2HD ARG 4 3.799 5.221 0.025
35 2HD ARG 4 1HD ARG 4 4.237 3.865 1.065
36 HE ARG 4 HE ARG 4 5.971 5.322 -0.718
37 1HH1 ARG 4 1HH1 ARG 4 5.489 2.338 1.027
38 2HH1 ARG 4 2HH1 ARG 4 7.173 1.937 1.055
39 1HH2 ARG 4 1HH2 ARG 4 8.185 4.796 -0.682
40 2HH2 ARG 4 2HH2 ARG 4 8.704 3.333 0.085
41 H ASN 5 H ASN 5 2.312 1.421 -3.334
42 HA ASN 5 HA ASN 5 -0.408 2.109 -3.756
43 1HB ASN 5 2HB ASN 5 1.756 2.512 -5.220
44 2HB ASN 5 1HB ASN 5 1.261 0.995 -5.967
45 1HD2 ASN 5 1HD2 ASN 5 -1.079 0.917 -6.616
46 2HD2 ASN 5 2HD2 ASN 5 -1.732 2.338 -7.350
47 H ASP 6 H ASP 6 0.798 -0.804 -2.850
48 HA ASP 6 HA ASP 6 -1.091 -2.355 -4.470
49 1HB ASP 6 2HB ASP 6 1.040 -3.332 -4.670
50 2HB ASP 6 1HB ASP 6 1.415 -3.088 -2.968
51 HA PRO 7 HA PRO 7 -4.018 -2.916 -1.227
52 1HB PRO 7 2HB PRO 7 -3.747 -5.826 -1.846
53 2HB PRO 7 1HB PRO 7 -5.205 -4.839 -1.700
54 1HG PRO 7 2HG PRO 7 -4.284 -5.545 -4.094
55 2HG PRO 7 1HG PRO 7 -4.965 -3.931 -3.821
56 1HD PRO 7 2HD PRO 7 -2.124 -4.759 -4.141
57 2HD PRO 7 1HD PRO 7 -2.921 -3.248 -4.617
58 H CYS 8 H CYS 8 -3.521 -2.792 0.857
59 HA CYS 8 HA CYS 8 -1.283 -3.475 2.178
60 1HB CYS 8 2HB CYS 8 -3.469 -2.321 3.007
61 2HB CYS 8 1HB CYS 8 -3.899 -3.932 3.570
62 HA PRO 9 HA PRO 9 -0.971 -7.909 2.109
63 1HB PRO 9 2HB PRO 9 0.812 -8.191 4.164
64 2HB PRO 9 1HB PRO 9 1.267 -7.702 2.528
65 1HG PRO 9 2HG PRO 9 0.805 -6.009 4.953
66 2HG PRO 9 1HG PRO 9 2.085 -5.890 3.729
67 1HD PRO 9 2HD PRO 9 -0.053 -4.257 3.710
68 2HD PRO 9 1HD PRO 9 0.706 -4.824 2.209
69 H CYS 10 H CYS 10 -2.062 -6.078 4.826
70 HA CYS 10 HA CYS 10 -2.487 -8.086 6.715
71 1HB CYS 10 2HB CYS 10 -4.081 -6.594 7.748
72 2HB CYS 10 1HB CYS 10 -2.729 -5.644 7.141
73 H GLY 11 H GLY 11 -4.249 -7.285 3.815
74 1HA GLY 11 2HA GLY 11 -5.674 -8.772 2.682
75 2HA GLY 11 1HA GLY 11 -5.845 -9.703 4.162
76 H SER 12 H SER 12 -6.266 -6.232 4.041
77 HA SER 12 HA SER 12 -9.008 -6.563 4.958
78 1HB SER 12 2HB SER 12 -7.079 -4.259 4.883
79 2HB SER 12 1HB SER 12 -8.800 -3.974 5.136
80 HG SER 12 HG SER 12 -8.205 -4.315 7.147
81 H GLY 13 H GLY 13 -7.279 -4.787 2.398
82 1HA GLY 13 2HA GLY 13 -8.565 -5.252 0.179
83 2HA GLY 13 1HA GLY 13 -9.836 -4.374 1.018
84 H LYS 14 H LYS 14 -7.831 -2.622 2.344
85 HA LYS 14 HA LYS 14 -7.591 -0.712 0.166
86 1HB LYS 14 2HB LYS 14 -6.963 -0.387 3.106
87 2HB LYS 14 1HB LYS 14 -7.035 0.904 1.915
88 1HG LYS 14 2HG LYS 14 -9.470 0.056 1.548
89 2HG LYS 14 1HG LYS 14 -9.252 -0.657 3.148
90 1HD LYS 14 2HD LYS 14 -8.382 1.742 3.755
91 2HD LYS 14 1HD LYS 14 -9.323 2.214 2.338
92 1HE LYS 14 2HE LYS 14 -11.006 2.373 3.827
93 2HE LYS 14 1HE LYS 14 -11.105 0.627 3.600
94 1HZ LYS 14 1HZ LYS 14 -10.140 2.151 5.884
95 2HZ LYS 14 2HZ LYS 14 -9.282 0.741 5.514
96 3HZ LYS 14 3HZ LYS 14 -10.941 0.661 5.836
97 H LYS 15 H LYS 15 -5.618 0.466 -0.232
98 HA LYS 15 HA LYS 15 -3.345 -1.259 -0.376
99 1HB LYS 15 2HB LYS 15 -3.753 1.647 -1.082
100 2HB LYS 15 1HB LYS 15 -2.224 0.813 -1.315
101 1HG LYS 15 2HG LYS 15 -3.012 0.382 -3.358
102 2HG LYS 15 1HG LYS 15 -3.946 -0.882 -2.554
103 1HD LYS 15 2HD LYS 15 -5.181 1.778 -2.481
104 2HD LYS 15 1HD LYS 15 -5.006 1.097 -4.099
105 1HE LYS 15 2HE LYS 15 -5.939 -0.974 -2.418
106 2HE LYS 15 1HE LYS 15 -6.912 0.454 -2.071
107 1HZ LYS 15 1HZ LYS 15 -7.740 0.519 -4.189
108 2HZ LYS 15 2HZ LYS 15 -7.573 -1.152 -3.986
109 3HZ LYS 15 3HZ LYS 15 -6.418 -0.287 -4.868
110 H TYR 16 H TYR 16 -1.171 -0.606 0.400
111 HA TYR 16 HA TYR 16 -0.986 -0.452 3.124
112 1HB TYR 16 2HB TYR 16 0.804 -0.663 1.080
113 2HB TYR 16 1HB TYR 16 1.199 0.930 1.713
114 HD1 TYR 16 1HD TYR 16 0.037 -2.033 3.631
115 HD2 TYR 16 2HD TYR 16 3.282 0.557 2.704
116 HE1 TYR 16 1HE TYR 16 1.368 -3.075 5.417
117 HE2 TYR 16 2HE TYR 16 4.624 -0.478 4.489
118 HH TYR 16 HH TYR 16 3.309 -2.459 6.866
119 H LYS 17 H LYS 17 -0.286 2.305 0.970
120 HA LYS 17 HA LYS 17 -0.057 4.263 2.901
121 1HB LYS 17 2HB LYS 17 -0.829 5.839 1.033
122 2HB LYS 17 1HB LYS 17 0.599 4.859 0.733
123 1HG LYS 17 2HG LYS 17 -0.341 4.093 -1.115
124 2HG LYS 17 1HG LYS 17 -1.612 3.350 -0.141
125 1HD LYS 17 2HD LYS 17 -2.995 4.696 -1.290
126 2HD LYS 17 1HD LYS 17 -2.412 5.959 -0.204
127 1HE LYS 17 2HE LYS 17 -0.765 5.410 -2.596
128 2HE LYS 17 1HE LYS 17 -2.338 6.154 -2.882
129 1HZ LYS 17 1HZ LYS 17 -0.551 7.259 -0.821
130 2HZ LYS 17 2HZ LYS 17 -1.756 8.035 -1.718
131 3HZ LYS 17 3HZ LYS 17 -0.285 7.637 -2.449
132 H GLN 18 H GLN 18 -2.926 2.729 1.713
133 HA GLN 18 HA GLN 18 -4.679 4.763 2.839
134 1HB GLN 18 2HB GLN 18 -5.492 2.118 1.642
135 2HB GLN 18 1HB GLN 18 -6.480 3.558 1.847
136 1HG GLN 18 2HG GLN 18 -4.096 3.986 0.213
137 2HG GLN 18 1HG GLN 18 -5.228 2.811 -0.456
138 1HE2 GLN 18 1HE2 GLN 18 -7.141 3.491 -1.276
139 2HE2 GLN 18 2HE2 GLN 18 -7.603 5.151 -1.399
140 H CYS 19 H CYS 19 -3.431 1.605 3.588
141 HA CYS 19 HA CYS 19 -5.157 1.493 5.966
142 1HB CYS 19 2HB CYS 19 -5.280 -0.351 4.222
143 2HB CYS 19 1HB CYS 19 -3.668 -0.828 4.740
144 H HIS 20 H HIS 20 -2.741 -0.779 6.308
145 HA HIS 20 HA HIS 20 -1.599 0.431 8.539
146 1HB HIS 20 2HB HIS 20 -0.723 -1.845 6.781
147 2HB HIS 20 1HB HIS 20 0.262 -1.315 8.140
148 HD2 HIS 20 2HD HIS 20 -0.793 -1.832 10.675
149 HE1 HIS 20 1HE HIS 20 -3.907 -4.304 9.226
150 HE2 HIS 20 2HE HIS 20 -2.537 -3.661 11.260
151 H GLY 21 H GLY 21 -0.393 0.246 5.201
152 1HA GLY 21 2HA GLY 21 2.109 1.367 5.531
153 2HA GLY 21 1HA GLY 21 1.130 1.560 4.086
154 H ARG 22 H ARG 22 -0.978 2.942 5.745
155 HA ARG 22 HA ARG 22 -0.104 5.592 5.272
156 1HB ARG 22 2HB ARG 22 -2.522 4.537 5.445
157 2HB ARG 22 1HB ARG 22 -2.376 5.029 7.126
158 1HG ARG 22 2HG ARG 22 -1.607 7.124 5.257
159 2HG ARG 22 1HG ARG 22 -3.278 6.590 5.061
160 1HD ARG 22 2HD ARG 22 -3.882 7.258 7.182
161 2HD ARG 22 1HD ARG 22 -2.235 7.143 7.801
162 HE ARG 22 HE ARG 22 -1.941 9.329 7.241
163 1HH1 ARG 22 1HH1 ARG 22 -4.586 8.067 5.344
164 2HH1 ARG 22 2HH1 ARG 22 -4.970 9.598 4.632
165 1HH2 ARG 22 1HH2 ARG 22 -2.446 11.344 6.306
166 2HH2 ARG 22 2HH2 ARG 22 -3.756 11.458 5.177
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 10.514 -3.627 2.913
2 2H LYS 1 2HT LYS 1 9.043 -2.888 3.403
3 3H LYS 1 3HT LYS 1 10.544 -2.132 3.752
4 HA LYS 1 HA LYS 1 9.684 -0.971 1.983
5 1HB LYS 1 2HB LYS 1 11.671 -3.067 1.090
6 2HB LYS 1 1HB LYS 1 11.257 -1.655 0.126
7 1HG LYS 1 2HG LYS 1 11.924 -0.762 2.733
8 2HG LYS 1 1HG LYS 1 13.173 -1.891 2.204
9 1HD LYS 1 2HD LYS 1 12.800 -0.395 -0.042
10 2HD LYS 1 1HD LYS 1 12.517 0.799 1.226
11 1HE LYS 1 2HE LYS 1 14.743 -0.477 2.150
12 2HE LYS 1 1HE LYS 1 14.995 -0.537 0.405
13 1HZ LYS 1 1HZ LYS 1 14.454 1.932 0.461
14 2HZ LYS 1 2HZ LYS 1 15.955 1.460 1.079
15 3HZ LYS 1 3HZ LYS 1 14.691 1.840 2.135
16 H VAL 2 H VAL 2 7.500 -1.404 1.584
17 HA VAL 2 HA VAL 2 6.986 -3.429 -0.500
18 HB VAL 2 HB VAL 2 5.843 -3.919 1.650
19 1HG1 VAL 2 1HG1 VAL 2 3.894 -2.457 2.256
20 2HG1 VAL 2 2HG1 VAL 2 4.531 -1.253 1.133
21 3HG1 VAL 2 3HG1 VAL 2 5.479 -1.737 2.541
22 1HG2 VAL 2 1HG2 VAL 2 3.867 -4.607 0.667
23 2HG2 VAL 2 2HG2 VAL 2 4.905 -4.366 -0.738
24 3HG2 VAL 2 3HG2 VAL 2 3.714 -3.140 -0.301
25 H GLY 3 H GLY 3 5.286 -2.908 -2.035
26 1HA GLY 3 2HA GLY 3 5.477 -0.161 -2.908
27 2HA GLY 3 1HA GLY 3 4.637 -1.467 -3.737
28 H ARG 4 H ARG 4 4.419 0.884 -1.143
29 HA ARG 4 HA ARG 4 2.077 0.505 0.051
30 1HB ARG 4 2HB ARG 4 1.749 3.142 -0.354
31 2HB ARG 4 1HB ARG 4 2.871 2.459 0.810
32 1HG ARG 4 2HG ARG 4 4.477 2.532 -1.320
33 2HG ARG 4 1HG ARG 4 3.390 3.858 -1.735
34 1HD ARG 4 2HD ARG 4 4.009 5.109 0.093
35 2HD ARG 4 1HD ARG 4 4.505 3.693 1.020
36 HE ARG 4 HE ARG 4 6.143 4.209 -1.288
37 1HH1 ARG 4 1HH1 ARG 4 5.645 4.928 2.091
38 2HH1 ARG 4 2HH1 ARG 4 7.294 5.379 2.366
39 1HH2 ARG 4 1HH2 ARG 4 8.313 4.802 -0.927
40 2HH2 ARG 4 2HH2 ARG 4 8.808 5.309 0.654
41 H ASN 5 H ASN 5 2.362 1.374 -3.323
42 HA ASN 5 HA ASN 5 -0.372 2.088 -3.686
43 1HB ASN 5 2HB ASN 5 1.693 2.631 -5.169
44 2HB ASN 5 1HB ASN 5 1.374 1.063 -5.902
45 1HD2 ASN 5 1HD2 ASN 5 0.413 1.367 -7.771
46 2HD2 ASN 5 2HD2 ASN 5 -0.889 2.458 -8.082
47 H ASP 6 H ASP 6 0.853 -0.839 -2.869
48 HA ASP 6 HA ASP 6 -1.048 -2.357 -4.511
49 1HB ASP 6 2HB ASP 6 1.199 -3.200 -4.710
50 2HB ASP 6 1HB ASP 6 1.404 -3.218 -2.963
51 HA PRO 7 HA PRO 7 -3.936 -3.002 -1.244
52 1HB PRO 7 2HB PRO 7 -4.098 -5.817 -1.514
53 2HB PRO 7 1HB PRO 7 -5.161 -4.616 -2.246
54 1HG PRO 7 2HG PRO 7 -2.827 -6.041 -3.411
55 2HG PRO 7 1HG PRO 7 -4.308 -5.468 -4.201
56 1HD PRO 7 2HD PRO 7 -1.982 -4.193 -4.538
57 2HD PRO 7 1HD PRO 7 -3.506 -3.291 -4.391
58 H CYS 8 H CYS 8 -3.432 -2.936 0.828
59 HA CYS 8 HA CYS 8 -1.174 -3.621 2.114
60 1HB CYS 8 2HB CYS 8 -3.429 -2.537 2.951
61 2HB CYS 8 1HB CYS 8 -3.734 -4.158 3.562
62 HA PRO 9 HA PRO 9 -0.791 -8.045 1.990
63 1HB PRO 9 2HB PRO 9 0.880 -8.339 4.147
64 2HB PRO 9 1HB PRO 9 1.417 -7.842 2.539
65 1HG PRO 9 2HG PRO 9 0.824 -6.161 4.942
66 2HG PRO 9 1HG PRO 9 2.161 -6.028 3.783
67 1HD PRO 9 2HD PRO 9 0.027 -4.405 3.660
68 2HD PRO 9 1HD PRO 9 0.843 -4.979 2.192
69 H CYS 10 H CYS 10 -1.862 -6.306 4.820
70 HA CYS 10 HA CYS 10 -2.462 -8.447 6.513
71 1HB CYS 10 2HB CYS 10 -3.911 -6.930 7.699
72 2HB CYS 10 1HB CYS 10 -2.492 -6.038 7.166
73 H GLY 11 H GLY 11 -4.168 -7.165 3.745
74 1HA GLY 11 2HA GLY 11 -5.732 -8.345 2.460
75 2HA GLY 11 1HA GLY 11 -5.912 -9.495 3.775
76 H SER 12 H SER 12 -6.182 -5.989 4.032
77 HA SER 12 HA SER 12 -8.849 -6.315 5.147
78 1HB SER 12 2HB SER 12 -6.766 -4.191 5.195
79 2HB SER 12 1HB SER 12 -8.445 -3.670 5.333
80 HG SER 12 HG SER 12 -8.597 -5.300 7.051
81 H GLY 13 H GLY 13 -7.271 -5.016 2.313
82 1HA GLY 13 2HA GLY 13 -8.805 -5.121 0.313
83 2HA GLY 13 1HA GLY 13 -9.906 -4.156 1.287
84 H LYS 14 H LYS 14 -7.990 -2.423 2.444
85 HA LYS 14 HA LYS 14 -7.592 -0.631 0.203
86 1HB LYS 14 2HB LYS 14 -7.807 -0.396 3.109
87 2HB LYS 14 1HB LYS 14 -6.540 0.621 2.435
88 1HG LYS 14 2HG LYS 14 -8.002 1.998 1.416
89 2HG LYS 14 1HG LYS 14 -9.123 0.693 1.021
90 1HD LYS 14 2HD LYS 14 -8.867 1.307 3.888
91 2HD LYS 14 1HD LYS 14 -9.581 2.587 2.906
92 1HE LYS 14 2HE LYS 14 -10.804 0.251 2.017
93 2HE LYS 14 1HE LYS 14 -10.712 0.067 3.768
94 1HZ LYS 14 1HZ LYS 14 -12.179 2.044 2.181
95 2HZ LYS 14 2HZ LYS 14 -11.602 2.513 3.701
96 3HZ LYS 14 3HZ LYS 14 -12.661 1.200 3.567
97 H LYS 15 H LYS 15 -5.570 0.408 -0.258
98 HA LYS 15 HA LYS 15 -3.369 -1.402 -0.243
99 1HB LYS 15 2HB LYS 15 -2.131 0.564 -1.260
100 2HB LYS 15 1HB LYS 15 -3.538 -0.010 -2.144
101 1HG LYS 15 2HG LYS 15 -4.429 1.983 -0.357
102 2HG LYS 15 1HG LYS 15 -2.981 2.597 -1.156
103 1HD LYS 15 2HD LYS 15 -4.611 3.238 -2.647
104 2HD LYS 15 1HD LYS 15 -4.143 1.671 -3.312
105 1HE LYS 15 2HE LYS 15 -6.046 0.609 -2.390
106 2HE LYS 15 1HE LYS 15 -6.415 1.997 -1.369
107 1HZ LYS 15 1HZ LYS 15 -7.888 1.883 -3.278
108 2HZ LYS 15 2HZ LYS 15 -6.569 1.947 -4.334
109 3HZ LYS 15 3HZ LYS 15 -6.930 3.275 -3.352
110 H TYR 16 H TYR 16 -1.137 -0.613 0.450
111 HA TYR 16 HA TYR 16 -0.928 -0.496 3.161
112 1HB TYR 16 2HB TYR 16 0.835 -0.538 1.072
113 2HB TYR 16 1HB TYR 16 1.181 1.029 1.795
114 HD1 TYR 16 1HD TYR 16 3.317 0.616 2.698
115 HD2 TYR 16 2HD TYR 16 0.111 -2.034 3.587
116 HE1 TYR 16 1HE TYR 16 4.702 -0.482 4.414
117 HE2 TYR 16 2HE TYR 16 1.479 -3.134 5.303
118 HH TYR 16 HH TYR 16 4.424 -1.826 6.424
119 H LYS 17 H LYS 17 -0.427 2.376 1.091
120 HA LYS 17 HA LYS 17 -0.300 4.237 3.151
121 1HB LYS 17 2HB LYS 17 -0.948 5.911 1.388
122 2HB LYS 17 1HB LYS 17 0.414 4.879 0.974
123 1HG LYS 17 2HG LYS 17 -0.672 3.904 -0.733
124 2HG LYS 17 1HG LYS 17 -2.216 3.887 0.120
125 1HD LYS 17 2HD LYS 17 -2.854 5.878 -0.728
126 2HD LYS 17 1HD LYS 17 -1.227 6.553 -0.637
127 1HE LYS 17 2HE LYS 17 -0.816 6.082 -2.777
128 2HE LYS 17 1HE LYS 17 -1.408 4.430 -2.602
129 1HZ LYS 17 1HZ LYS 17 -3.437 6.508 -2.647
130 2HZ LYS 17 2HZ LYS 17 -3.433 4.983 -3.376
131 3HZ LYS 17 3HZ LYS 17 -2.604 6.268 -4.100
132 H GLN 18 H GLN 18 -3.084 2.762 1.655
133 HA GLN 18 HA GLN 18 -4.909 4.603 3.023
134 1HB GLN 18 2HB GLN 18 -5.591 2.312 1.190
135 2HB GLN 18 1HB GLN 18 -6.651 3.621 1.695
136 1HG GLN 18 2HG GLN 18 -4.153 4.301 0.231
137 2HG GLN 18 1HG GLN 18 -5.514 3.635 -0.669
138 1HE2 GLN 18 1HE2 GLN 18 -7.204 4.912 -1.145
139 2HE2 GLN 18 2HE2 GLN 18 -7.352 6.564 -0.663
140 H CYS 19 H CYS 19 -3.256 2.317 4.279
141 HA CYS 19 HA CYS 19 -5.470 1.314 5.866
142 1HB CYS 19 2HB CYS 19 -5.050 -0.205 3.860
143 2HB CYS 19 1HB CYS 19 -3.539 -0.651 4.646
144 H HIS 20 H HIS 20 -2.170 0.046 5.552
145 HA HIS 20 HA HIS 20 -1.735 0.830 8.346
146 1HB HIS 20 2HB HIS 20 -0.734 -1.452 6.680
147 2HB HIS 20 1HB HIS 20 0.200 -0.915 8.074
148 HD2 HIS 20 2HD HIS 20 -1.211 -1.102 10.562
149 HE1 HIS 20 1HE HIS 20 -3.920 -3.970 9.033
150 HE2 HIS 20 2HE HIS 20 -2.895 -2.990 11.135
151 H GLY 21 H GLY 21 0.781 -0.033 6.030
152 1HA GLY 21 2HA GLY 21 2.680 1.084 5.396
153 2HA GLY 21 1HA GLY 21 1.613 2.460 5.188
154 H ARG 22 H ARG 22 1.300 3.894 6.970
155 HA ARG 22 HA ARG 22 3.648 3.973 8.734
156 1HB ARG 22 2HB ARG 22 2.173 5.976 7.248
157 2HB ARG 22 1HB ARG 22 2.287 6.410 8.948
158 1HG ARG 22 2HG ARG 22 4.593 6.552 8.894
159 2HG ARG 22 1HG ARG 22 4.723 5.534 7.458
160 1HD ARG 22 2HD ARG 22 3.755 7.311 6.098
161 2HD ARG 22 1HD ARG 22 3.582 8.325 7.528
162 HE ARG 22 HE ARG 22 5.981 7.848 6.021
163 1HH1 ARG 22 1HH1 ARG 22 4.692 8.783 9.125
164 2HH1 ARG 22 2HH1 ARG 22 6.119 9.641 9.599
165 1HH2 ARG 22 1HH2 ARG 22 7.860 8.974 6.642
166 2HH2 ARG 22 2HH2 ARG 22 7.917 9.751 8.189
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 11.075 -3.466 0.765
2 2H LYS 1 2HT LYS 1 10.041 -4.185 1.929
3 3H LYS 1 3HT LYS 1 11.182 -2.997 2.410
4 HA LYS 1 HA LYS 1 9.104 -1.981 2.360
5 1HB LYS 1 2HB LYS 1 11.081 -1.382 0.212
6 2HB LYS 1 1HB LYS 1 9.554 -0.511 0.177
7 1HG LYS 1 2HG LYS 1 10.200 -0.175 2.757
8 2HG LYS 1 1HG LYS 1 11.814 -0.303 2.056
9 1HD LYS 1 2HD LYS 1 10.612 1.376 0.293
10 2HD LYS 1 1HD LYS 1 9.798 1.822 1.794
11 1HE LYS 1 2HE LYS 1 12.144 1.936 2.812
12 2HE LYS 1 1HE LYS 1 12.728 1.916 1.148
13 1HZ LYS 1 1HZ LYS 1 11.132 3.979 2.522
14 2HZ LYS 1 2HZ LYS 1 11.096 3.855 0.835
15 3HZ LYS 1 3HZ LYS 1 12.559 4.156 1.629
16 H VAL 2 H VAL 2 7.049 -2.332 1.854
17 HA VAL 2 HA VAL 2 6.379 -3.912 -0.492
18 HB VAL 2 HB VAL 2 5.316 -4.383 1.713
19 1HG1 VAL 2 1HG1 VAL 2 4.087 -2.886 2.877
20 2HG1 VAL 2 2HG1 VAL 2 3.428 -2.134 1.424
21 3HG1 VAL 2 3HG1 VAL 2 5.047 -1.710 1.980
22 1HG2 VAL 2 1HG2 VAL 2 3.474 -5.178 0.691
23 2HG2 VAL 2 2HG2 VAL 2 4.235 -4.543 -0.768
24 3HG2 VAL 2 3HG2 VAL 2 3.007 -3.594 0.071
25 H GLY 3 H GLY 3 5.028 -3.241 -2.167
26 1HA GLY 3 2HA GLY 3 5.239 -0.567 -2.998
27 2HA GLY 3 1HA GLY 3 4.125 -1.752 -3.670
28 H ARG 4 H ARG 4 4.510 0.907 -1.508
29 HA ARG 4 HA ARG 4 2.360 0.831 0.126
30 1HB ARG 4 2HB ARG 4 4.166 2.684 -0.327
31 2HB ARG 4 1HB ARG 4 2.873 3.402 -1.281
32 1HG ARG 4 2HG ARG 4 1.443 3.538 0.607
33 2HG ARG 4 1HG ARG 4 2.550 2.571 1.587
34 1HD ARG 4 2HD ARG 4 4.211 4.541 0.874
35 2HD ARG 4 1HD ARG 4 2.687 5.426 0.817
36 HE ARG 4 HE ARG 4 2.572 4.186 3.210
37 1HH1 ARG 4 1HH1 ARG 4 5.004 6.176 1.690
38 2HH1 ARG 4 2HH1 ARG 4 5.603 6.805 3.188
39 1HH2 ARG 4 1HH2 ARG 4 3.360 5.013 5.181
40 2HH2 ARG 4 2HH2 ARG 4 4.671 6.145 5.170
41 H ASN 5 H ASN 5 2.262 1.331 -3.325
42 HA ASN 5 HA ASN 5 -0.505 2.188 -3.271
43 1HB ASN 5 2HB ASN 5 1.418 2.844 -4.964
44 2HB ASN 5 1HB ASN 5 0.867 1.399 -5.806
45 1HD2 ASN 5 1HD2 ASN 5 -1.038 1.429 -6.886
46 2HD2 ASN 5 2HD2 ASN 5 -2.023 2.836 -7.062
47 H ASP 6 H ASP 6 0.901 -0.724 -2.864
48 HA ASP 6 HA ASP 6 -1.037 -2.236 -4.452
49 1HB ASP 6 2HB ASP 6 1.223 -3.030 -4.667
50 2HB ASP 6 1HB ASP 6 1.439 -3.061 -2.921
51 HA PRO 7 HA PRO 7 -3.948 -3.019 -1.240
52 1HB PRO 7 2HB PRO 7 -3.899 -5.857 -1.493
53 2HB PRO 7 1HB PRO 7 -5.070 -4.733 -2.186
54 1HG PRO 7 2HG PRO 7 -2.693 -5.994 -3.430
55 2HG PRO 7 1HG PRO 7 -4.207 -5.456 -4.180
56 1HD PRO 7 2HD PRO 7 -1.927 -4.091 -4.511
57 2HD PRO 7 1HD PRO 7 -3.485 -3.254 -4.346
58 H CYS 8 H CYS 8 -3.391 -2.798 0.810
59 HA CYS 8 HA CYS 8 -1.138 -3.399 2.135
60 1HB CYS 8 2HB CYS 8 -3.387 -2.302 2.926
61 2HB CYS 8 1HB CYS 8 -3.717 -3.906 3.568
62 HA PRO 9 HA PRO 9 -0.649 -7.813 2.184
63 1HB PRO 9 2HB PRO 9 0.957 -7.978 4.415
64 2HB PRO 9 1HB PRO 9 1.535 -7.571 2.796
65 1HG PRO 9 2HG PRO 9 0.870 -5.762 5.082
66 2HG PRO 9 1HG PRO 9 2.223 -5.675 3.939
67 1HD PRO 9 2HD PRO 9 0.075 -4.090 3.693
68 2HD PRO 9 1HD PRO 9 0.915 -4.737 2.271
69 H CYS 10 H CYS 10 -1.915 -5.990 4.858
70 HA CYS 10 HA CYS 10 -2.485 -8.030 6.670
71 1HB CYS 10 2HB CYS 10 -4.148 -6.536 7.615
72 2HB CYS 10 1HB CYS 10 -2.717 -5.616 7.166
73 H GLY 11 H GLY 11 -4.054 -7.144 3.687
74 1HA GLY 11 2HA GLY 11 -5.482 -8.486 2.426
75 2HA GLY 11 1HA GLY 11 -5.629 -9.575 3.797
76 H SER 12 H SER 12 -6.186 -6.116 3.980
77 HA SER 12 HA SER 12 -8.907 -6.635 4.870
78 1HB SER 12 2HB SER 12 -7.037 -4.301 5.026
79 2HB SER 12 1HB SER 12 -8.771 -4.026 5.197
80 HG SER 12 HG SER 12 -8.185 -4.454 7.220
81 H GLY 13 H GLY 13 -7.195 -5.249 2.168
82 1HA GLY 13 2HA GLY 13 -8.508 -5.391 0.046
83 2HA GLY 13 1HA GLY 13 -9.792 -4.576 0.926
84 H LYS 14 H LYS 14 -7.854 -2.834 2.324
85 HA LYS 14 HA LYS 14 -7.665 -0.811 0.256
86 1HB LYS 14 2HB LYS 14 -7.108 -0.745 3.225
87 2HB LYS 14 1HB LYS 14 -6.929 0.647 2.165
88 1HG LYS 14 2HG LYS 14 -9.510 -0.452 1.739
89 2HG LYS 14 1HG LYS 14 -9.257 -0.293 3.477
90 1HD LYS 14 2HD LYS 14 -9.246 1.964 3.399
91 2HD LYS 14 1HD LYS 14 -8.386 2.007 1.857
92 1HE LYS 14 2HE LYS 14 -10.330 1.811 0.619
93 2HE LYS 14 1HE LYS 14 -11.225 1.081 1.951
94 1HZ LYS 14 1HZ LYS 14 -12.089 3.133 2.111
95 2HZ LYS 14 2HZ LYS 14 -10.790 3.879 1.326
96 3HZ LYS 14 3HZ LYS 14 -10.672 3.482 2.966
97 H LYS 15 H LYS 15 -5.703 0.421 -0.114
98 HA LYS 15 HA LYS 15 -3.431 -1.272 -0.449
99 1HB LYS 15 2HB LYS 15 -3.425 1.731 -0.713
100 2HB LYS 15 1HB LYS 15 -2.380 0.571 -1.520
101 1HG LYS 15 2HG LYS 15 -5.341 0.774 -1.994
102 2HG LYS 15 1HG LYS 15 -4.118 1.587 -2.971
103 1HD LYS 15 2HD LYS 15 -4.247 -0.283 -4.224
104 2HD LYS 15 1HD LYS 15 -3.165 -0.940 -2.993
105 1HE LYS 15 2HE LYS 15 -4.784 -2.557 -3.026
106 2HE LYS 15 1HE LYS 15 -5.415 -1.495 -1.769
107 1HZ LYS 15 1HZ LYS 15 -6.530 -0.415 -3.924
108 2HZ LYS 15 2HZ LYS 15 -7.269 -1.633 -3.013
109 3HZ LYS 15 3HZ LYS 15 -6.441 -2.027 -4.434
110 H TYR 16 H TYR 16 -1.201 -0.054 0.151
111 HA TYR 16 HA TYR 16 -0.949 -0.348 2.943
112 1HB TYR 16 2HB TYR 16 0.794 -0.397 0.877
113 2HB TYR 16 1HB TYR 16 1.126 1.207 1.518
114 HD1 TYR 16 1HD TYR 16 0.140 -1.740 3.536
115 HD2 TYR 16 2HD TYR 16 3.313 0.833 2.334
116 HE1 TYR 16 1HE TYR 16 1.578 -2.715 5.274
117 HE2 TYR 16 2HE TYR 16 4.760 -0.137 4.073
118 HH TYR 16 HH TYR 16 3.554 -2.172 6.550
119 H LYS 17 H LYS 17 -0.413 2.595 0.983
120 HA LYS 17 HA LYS 17 -0.286 4.392 3.102
121 1HB LYS 17 2HB LYS 17 -0.979 6.115 1.395
122 2HB LYS 17 1HB LYS 17 0.400 5.123 0.939
123 1HG LYS 17 2HG LYS 17 -0.894 3.853 -0.577
124 2HG LYS 17 1HG LYS 17 -2.406 4.514 0.054
125 1HD LYS 17 2HD LYS 17 -1.495 6.791 -0.698
126 2HD LYS 17 1HD LYS 17 -0.324 5.862 -1.638
127 1HE LYS 17 2HE LYS 17 -2.008 6.170 -3.178
128 2HE LYS 17 1HE LYS 17 -2.434 4.601 -2.498
129 1HZ LYS 17 1HZ LYS 17 -4.276 6.307 -2.737
130 2HZ LYS 17 2HZ LYS 17 -3.568 7.112 -1.429
131 3HZ LYS 17 3HZ LYS 17 -4.143 5.534 -1.238
132 H GLN 18 H GLN 18 -3.025 2.903 1.577
133 HA GLN 18 HA GLN 18 -4.934 4.685 2.855
134 1HB GLN 18 2HB GLN 18 -4.946 3.038 0.565
135 2HB GLN 18 1HB GLN 18 -6.127 2.349 1.673
136 1HG GLN 18 2HG GLN 18 -7.341 4.400 1.763
137 2HG GLN 18 1HG GLN 18 -6.074 5.251 0.881
138 1HE2 GLN 18 1HE2 GLN 18 -8.949 3.501 0.653
139 2HE2 GLN 18 2HE2 GLN 18 -9.008 3.344 -1.067
140 H CYS 19 H CYS 19 -3.097 2.352 4.065
141 HA CYS 19 HA CYS 19 -5.071 1.647 6.066
142 1HB CYS 19 2HB CYS 19 -5.144 -0.055 4.169
143 2HB CYS 19 1HB CYS 19 -3.537 -0.557 4.689
144 H HIS 20 H HIS 20 -2.616 -0.610 6.258
145 HA HIS 20 HA HIS 20 -1.495 0.504 8.564
146 1HB HIS 20 2HB HIS 20 -0.602 -1.693 6.715
147 2HB HIS 20 1HB HIS 20 0.378 -1.210 8.094
148 HD2 HIS 20 2HD HIS 20 -0.530 -2.009 10.565
149 HE1 HIS 20 1HE HIS 20 -3.872 -4.146 9.090
150 HE2 HIS 20 2HE HIS 20 -2.556 -3.514 11.163
151 H GLY 21 H GLY 21 -0.419 0.580 5.198
152 1HA GLY 21 2HA GLY 21 2.111 1.709 5.594
153 2HA GLY 21 1HA GLY 21 1.146 1.881 4.136
154 H ARG 22 H ARG 22 -1.050 3.261 5.255
155 HA ARG 22 HA ARG 22 -1.756 5.384 5.656
156 1HB ARG 22 2HB ARG 22 0.187 4.782 7.664
157 2HB ARG 22 1HB ARG 22 0.356 6.474 7.217
158 1HG ARG 22 2HG ARG 22 -2.419 5.739 7.551
159 2HG ARG 22 1HG ARG 22 -1.471 5.392 8.998
160 1HD ARG 22 2HD ARG 22 -0.535 7.849 8.350
161 2HD ARG 22 1HD ARG 22 -2.198 7.970 7.777
162 HE ARG 22 HE ARG 22 -1.307 7.843 10.508
163 1HH1 ARG 22 1HH1 ARG 22 -3.981 7.272 8.339
164 2HH1 ARG 22 2HH1 ARG 22 -5.181 7.420 9.580
165 1HH2 ARG 22 1HH2 ARG 22 -2.883 8.037 12.140
166 2HH2 ARG 22 2HH2 ARG 22 -4.557 7.855 11.737
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 11.514 -2.557 2.901
2 2H LYS 1 2HT LYS 1 11.117 -3.653 1.643
3 3H LYS 1 3HT LYS 1 10.094 -3.510 3.013
4 HA LYS 1 HA LYS 1 9.487 -1.335 2.431
5 1HB LYS 1 2HB LYS 1 11.704 -1.715 0.449
6 2HB LYS 1 1HB LYS 1 10.404 -0.588 0.089
7 1HG LYS 1 2HG LYS 1 11.718 -0.361 2.735
8 2HG LYS 1 1HG LYS 1 12.628 0.157 1.315
9 1HD LYS 1 2HD LYS 1 11.002 1.770 0.739
10 2HD LYS 1 1HD LYS 1 9.820 1.086 1.857
11 1HE LYS 1 2HE LYS 1 11.990 1.699 3.466
12 2HE LYS 1 1HE LYS 1 11.913 3.043 2.326
13 1HZ LYS 1 1HZ LYS 1 9.949 3.750 3.151
14 2HZ LYS 1 2HZ LYS 1 10.494 2.968 4.549
15 3HZ LYS 1 3HZ LYS 1 9.396 2.194 3.522
16 H VAL 2 H VAL 2 7.481 -1.488 1.677
17 HA VAL 2 HA VAL 2 6.926 -3.441 -0.457
18 HB VAL 2 HB VAL 2 5.789 -3.883 1.699
19 1HG1 VAL 2 1HG1 VAL 2 5.506 -1.692 2.591
20 2HG1 VAL 2 2HG1 VAL 2 3.893 -2.353 2.321
21 3HG1 VAL 2 3HG1 VAL 2 4.564 -1.176 1.190
22 1HG2 VAL 2 1HG2 VAL 2 3.767 -4.500 0.749
23 2HG2 VAL 2 2HG2 VAL 2 4.804 -4.322 -0.666
24 3HG2 VAL 2 3HG2 VAL 2 3.668 -3.042 -0.239
25 H GLY 3 H GLY 3 5.232 -2.902 -1.989
26 1HA GLY 3 2HA GLY 3 5.465 -0.159 -2.881
27 2HA GLY 3 1HA GLY 3 4.621 -1.463 -3.711
28 H ARG 4 H ARG 4 4.400 0.908 -1.136
29 HA ARG 4 HA ARG 4 2.046 0.544 0.043
30 1HB ARG 4 2HB ARG 4 1.736 3.180 -0.361
31 2HB ARG 4 1HB ARG 4 2.857 2.494 0.804
32 1HG ARG 4 2HG ARG 4 4.451 2.560 -1.347
33 2HG ARG 4 1HG ARG 4 3.378 3.907 -1.728
34 1HD ARG 4 2HD ARG 4 3.934 5.035 0.268
35 2HD ARG 4 1HD ARG 4 4.701 3.600 0.948
36 HE ARG 4 HE ARG 4 6.619 4.108 -0.206
37 1HH1 ARG 4 1HH1 ARG 4 3.995 6.060 -1.429
38 2HH1 ARG 4 2HH1 ARG 4 5.027 7.066 -2.389
39 1HH2 ARG 4 1HH2 ARG 4 7.976 5.431 -1.470
40 2HH2 ARG 4 2HH2 ARG 4 7.286 6.709 -2.414
41 H ASN 5 H ASN 5 2.360 1.388 -3.331
42 HA ASN 5 HA ASN 5 -0.362 2.126 -3.722
43 1HB ASN 5 2HB ASN 5 1.767 2.571 -5.197
44 2HB ASN 5 1HB ASN 5 1.320 1.040 -5.945
45 1HD2 ASN 5 1HD2 ASN 5 -0.872 0.869 -6.793
46 2HD2 ASN 5 2HD2 ASN 5 -1.620 2.278 -7.456
47 H ASP 6 H ASP 6 0.838 -0.803 -2.869
48 HA ASP 6 HA ASP 6 -1.075 -2.325 -4.491
49 1HB ASP 6 2HB ASP 6 1.165 -3.194 -4.666
50 2HB ASP 6 1HB ASP 6 1.361 -3.190 -2.919
51 HA PRO 7 HA PRO 7 -3.980 -2.890 -1.221
52 1HB PRO 7 2HB PRO 7 -4.179 -5.705 -1.458
53 2HB PRO 7 1HB PRO 7 -5.222 -4.498 -2.209
54 1HG PRO 7 2HG PRO 7 -2.907 -5.972 -3.348
55 2HG PRO 7 1HG PRO 7 -4.376 -5.385 -4.150
56 1HD PRO 7 2HD PRO 7 -2.029 -4.152 -4.492
57 2HD PRO 7 1HD PRO 7 -3.540 -3.226 -4.368
58 H CYS 8 H CYS 8 -3.458 -2.792 0.852
59 HA CYS 8 HA CYS 8 -1.216 -3.503 2.147
60 1HB CYS 8 2HB CYS 8 -3.443 -2.380 2.987
61 2HB CYS 8 1HB CYS 8 -3.794 -3.996 3.586
62 HA PRO 9 HA PRO 9 -0.925 -7.938 2.041
63 1HB PRO 9 2HB PRO 9 0.845 -8.253 4.101
64 2HB PRO 9 1HB PRO 9 1.313 -7.746 2.475
65 1HG PRO 9 2HG PRO 9 0.845 -6.082 4.918
66 2HG PRO 9 1HG PRO 9 2.132 -5.953 3.704
67 1HD PRO 9 2HD PRO 9 0.001 -4.311 3.695
68 2HD PRO 9 1HD PRO 9 0.767 -4.860 2.190
69 H CYS 10 H CYS 10 -1.926 -6.131 4.829
70 HA CYS 10 HA CYS 10 -2.413 -8.150 6.674
71 1HB CYS 10 2HB CYS 10 -3.986 -6.640 7.720
72 2HB CYS 10 1HB CYS 10 -2.608 -5.714 7.136
73 H GLY 11 H GLY 11 -4.178 -7.269 3.797
74 1HA GLY 11 2HA GLY 11 -5.646 -8.691 2.643
75 2HA GLY 11 1HA GLY 11 -5.796 -9.675 4.091
76 H SER 12 H SER 12 -6.212 -6.189 4.019
77 HA SER 12 HA SER 12 -8.914 -6.525 5.045
78 1HB SER 12 2HB SER 12 -6.928 -4.300 4.975
79 2HB SER 12 1HB SER 12 -8.637 -3.879 5.082
80 HG SER 12 HG SER 12 -8.754 -5.246 6.932
81 H GLY 13 H GLY 13 -7.380 -4.499 2.532
82 1HA GLY 13 2HA GLY 13 -8.772 -5.084 0.331
83 2HA GLY 13 1HA GLY 13 -9.959 -4.152 1.230
84 H LYS 14 H LYS 14 -7.838 -2.447 2.413
85 HA LYS 14 HA LYS 14 -7.598 -0.618 0.153
86 1HB LYS 14 2HB LYS 14 -6.819 -0.031 3.002
87 2HB LYS 14 1HB LYS 14 -7.253 1.108 1.735
88 1HG LYS 14 2HG LYS 14 -9.549 -0.179 1.831
89 2HG LYS 14 1HG LYS 14 -8.995 -0.569 3.459
90 1HD LYS 14 2HD LYS 14 -9.860 1.405 4.057
91 2HD LYS 14 1HD LYS 14 -8.462 2.124 3.254
92 1HE LYS 14 2HE LYS 14 -10.686 1.424 1.469
93 2HE LYS 14 1HE LYS 14 -11.057 2.677 2.653
94 1HZ LYS 14 1HZ LYS 14 -8.550 2.899 1.160
95 2HZ LYS 14 2HZ LYS 14 -9.575 4.116 1.733
96 3HZ LYS 14 3HZ LYS 14 -9.988 3.249 0.341
97 H LYS 15 H LYS 15 -5.604 0.492 -0.298
98 HA LYS 15 HA LYS 15 -3.368 -1.251 -0.393
99 1HB LYS 15 2HB LYS 15 -3.634 1.695 -1.005
100 2HB LYS 15 1HB LYS 15 -2.172 0.764 -1.301
101 1HG LYS 15 2HG LYS 15 -2.994 0.361 -3.323
102 2HG LYS 15 1HG LYS 15 -4.136 -0.726 -2.533
103 1HD LYS 15 2HD LYS 15 -4.890 2.115 -2.497
104 2HD LYS 15 1HD LYS 15 -4.843 1.374 -4.099
105 1HE LYS 15 2HE LYS 15 -6.131 -0.529 -2.610
106 2HE LYS 15 1HE LYS 15 -6.717 0.970 -1.888
107 1HZ LYS 15 1HZ LYS 15 -7.852 1.520 -3.735
108 2HZ LYS 15 2HZ LYS 15 -7.808 -0.144 -4.036
109 3HZ LYS 15 3HZ LYS 15 -6.694 0.881 -4.792
110 H TYR 16 H TYR 16 -1.154 -0.558 0.377
111 HA TYR 16 HA TYR 16 -0.952 -0.574 3.095
112 1HB TYR 16 2HB TYR 16 0.832 -0.592 1.059
113 2HB TYR 16 1HB TYR 16 1.148 1.001 1.736
114 HD1 TYR 16 1HD TYR 16 0.161 -2.074 3.573
115 HD2 TYR 16 2HD TYR 16 3.263 0.706 2.699
116 HE1 TYR 16 1HE TYR 16 1.557 -3.094 5.321
117 HE2 TYR 16 2HE TYR 16 4.670 -0.307 4.445
118 HH TYR 16 HH TYR 16 4.021 -1.748 6.727
119 H LYS 17 H LYS 17 -0.203 2.382 1.235
120 HA LYS 17 HA LYS 17 -0.257 4.141 3.378
121 1HB LYS 17 2HB LYS 17 -0.717 5.909 1.653
122 2HB LYS 17 1HB LYS 17 0.653 4.868 1.295
123 1HG LYS 17 2HG LYS 17 -0.233 4.315 -0.653
124 2HG LYS 17 1HG LYS 17 -1.695 3.730 0.143
125 1HD LYS 17 2HD LYS 17 -2.564 6.044 0.169
126 2HD LYS 17 1HD LYS 17 -1.125 6.570 -0.707
127 1HE LYS 17 2HE LYS 17 -2.859 4.379 -1.786
128 2HE LYS 17 1HE LYS 17 -3.295 6.070 -2.027
129 1HZ LYS 17 1HZ LYS 17 -1.719 4.696 -3.675
130 2HZ LYS 17 2HZ LYS 17 -0.550 5.381 -2.664
131 3HZ LYS 17 3HZ LYS 17 -1.638 6.376 -3.493
132 H GLN 18 H GLN 18 -2.873 2.659 1.679
133 HA GLN 18 HA GLN 18 -4.849 4.485 2.826
134 1HB GLN 18 2HB GLN 18 -5.457 2.080 1.133
135 2HB GLN 18 1HB GLN 18 -6.415 3.541 1.345
136 1HG GLN 18 2HG GLN 18 -3.725 3.603 0.021
137 2HG GLN 18 1HG GLN 18 -5.197 3.225 -0.873
138 1HE2 GLN 18 1HE2 GLN 18 -5.951 4.901 -1.926
139 2HE2 GLN 18 2HE2 GLN 18 -5.910 6.546 -1.402
140 H CYS 19 H CYS 19 -3.196 2.169 4.182
141 HA CYS 19 HA CYS 19 -5.446 1.270 5.786
142 1HB CYS 19 2HB CYS 19 -5.000 -0.320 3.805
143 2HB CYS 19 1HB CYS 19 -3.561 -0.802 4.698
144 H HIS 20 H HIS 20 -2.114 0.055 5.442
145 HA HIS 20 HA HIS 20 -1.644 0.895 8.228
146 1HB HIS 20 2HB HIS 20 -0.826 -1.591 6.753
147 2HB HIS 20 1HB HIS 20 0.074 -1.044 8.164
148 HD2 HIS 20 2HD HIS 20 -1.596 -0.832 10.544
149 HE1 HIS 20 1HE HIS 20 -4.247 -3.785 9.074
150 HE2 HIS 20 2HE HIS 20 -3.628 -2.355 11.074
151 H GLY 21 H GLY 21 -0.256 0.577 5.010
152 1HA GLY 21 2HA GLY 21 2.364 1.270 5.405
153 2HA GLY 21 1HA GLY 21 1.435 1.768 4.000
154 H ARG 22 H ARG 22 -0.421 3.344 5.718
155 HA ARG 22 HA ARG 22 0.861 5.835 5.512
156 1HB ARG 22 2HB ARG 22 -1.081 6.696 6.818
157 2HB ARG 22 1HB ARG 22 -1.538 5.714 5.433
158 1HG ARG 22 2HG ARG 22 -1.480 3.819 7.334
159 2HG ARG 22 1HG ARG 22 -1.909 5.224 8.313
160 1HD ARG 22 2HD ARG 22 -3.389 5.016 5.794
161 2HD ARG 22 1HD ARG 22 -3.673 3.680 6.908
162 HE ARG 22 HE ARG 22 -3.851 6.245 8.170
163 1HH1 ARG 22 1HH1 ARG 22 -5.600 3.882 6.291
164 2HH1 ARG 22 2HH1 ARG 22 -7.154 4.405 6.848
165 1HH2 ARG 22 1HH2 ARG 22 -5.893 6.934 8.905
166 2HH2 ARG 22 2HH2 ARG 22 -7.321 6.139 8.331
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 10.841 -3.788 1.303
2 2H LYS 1 2HT LYS 1 10.063 -3.658 2.828
3 3H LYS 1 3HT LYS 1 11.437 -2.691 2.477
4 HA LYS 1 HA LYS 1 9.212 -1.600 2.370
5 1HB LYS 1 2HB LYS 1 9.927 -0.278 0.432
6 2HB LYS 1 1HB LYS 1 11.288 -0.656 1.479
7 1HG LYS 1 2HG LYS 1 12.348 -1.357 -0.338
8 2HG LYS 1 1HG LYS 1 11.252 -2.739 -0.342
9 1HD LYS 1 2HD LYS 1 10.048 -1.945 -2.082
10 2HD LYS 1 1HD LYS 1 10.194 -0.269 -1.552
11 1HE LYS 1 2HE LYS 1 11.485 -0.192 -3.433
12 2HE LYS 1 1HE LYS 1 12.713 -0.637 -2.248
13 1HZ LYS 1 1HZ LYS 1 11.874 -3.039 -2.965
14 2HZ LYS 1 2HZ LYS 1 13.125 -2.232 -3.767
15 3HZ LYS 1 3HZ LYS 1 11.560 -2.210 -4.408
16 H VAL 2 H VAL 2 7.186 -1.986 1.789
17 HA VAL 2 HA VAL 2 6.661 -3.765 -0.485
18 HB VAL 2 HB VAL 2 5.630 -4.324 1.715
19 1HG1 VAL 2 1HG1 VAL 2 4.380 -2.895 2.908
20 2HG1 VAL 2 2HG1 VAL 2 3.528 -2.300 1.482
21 3HG1 VAL 2 3HG1 VAL 2 5.109 -1.641 1.904
22 1HG2 VAL 2 1HG2 VAL 2 4.579 -4.566 -0.769
23 2HG2 VAL 2 2HG2 VAL 2 3.279 -3.706 0.057
24 3HG2 VAL 2 3HG2 VAL 2 3.853 -5.251 0.685
25 H GLY 3 H GLY 3 5.161 -3.207 -2.110
26 1HA GLY 3 2HA GLY 3 5.240 -0.550 -3.006
27 2HA GLY 3 1HA GLY 3 4.136 -1.787 -3.599
28 H ARG 4 H ARG 4 4.554 0.890 -1.438
29 HA ARG 4 HA ARG 4 2.419 0.766 0.226
30 1HB ARG 4 2HB ARG 4 4.225 2.624 -0.181
31 2HB ARG 4 1HB ARG 4 2.939 3.369 -1.123
32 1HG ARG 4 2HG ARG 4 1.516 3.517 0.754
33 2HG ARG 4 1HG ARG 4 2.562 2.466 1.714
34 1HD ARG 4 2HD ARG 4 4.276 4.460 1.003
35 2HD ARG 4 1HD ARG 4 2.758 5.339 1.171
36 HE ARG 4 HE ARG 4 2.835 4.987 3.437
37 1HH1 ARG 4 1HH1 ARG 4 5.183 2.930 1.877
38 2HH1 ARG 4 2HH1 ARG 4 5.925 2.438 3.363
39 1HH2 ARG 4 1HH2 ARG 4 3.809 4.340 5.392
40 2HH2 ARG 4 2HH2 ARG 4 5.145 3.238 5.357
41 H ASN 5 H ASN 5 2.313 1.331 -3.207
42 HA ASN 5 HA ASN 5 -0.446 2.210 -3.137
43 1HB ASN 5 2HB ASN 5 1.379 2.994 -4.790
44 2HB ASN 5 1HB ASN 5 1.061 1.481 -5.634
45 1HD2 ASN 5 1HD2 ASN 5 -0.379 4.483 -4.529
46 2HD2 ASN 5 2HD2 ASN 5 -1.662 4.512 -5.687
47 H ASP 6 H ASP 6 0.920 -0.728 -2.777
48 HA ASP 6 HA ASP 6 -1.032 -2.175 -4.409
49 1HB ASP 6 2HB ASP 6 1.220 -2.988 -4.649
50 2HB ASP 6 1HB ASP 6 1.434 -3.074 -2.905
51 HA PRO 7 HA PRO 7 -3.961 -3.024 -1.230
52 1HB PRO 7 2HB PRO 7 -3.894 -5.860 -1.548
53 2HB PRO 7 1HB PRO 7 -5.076 -4.727 -2.205
54 1HG PRO 7 2HG PRO 7 -2.700 -5.941 -3.496
55 2HG PRO 7 1HG PRO 7 -4.219 -5.385 -4.223
56 1HD PRO 7 2HD PRO 7 -1.945 -4.004 -4.526
57 2HD PRO 7 1HD PRO 7 -3.503 -3.176 -4.323
58 H CYS 8 H CYS 8 -3.427 -2.860 0.827
59 HA CYS 8 HA CYS 8 -1.171 -3.467 2.147
60 1HB CYS 8 2HB CYS 8 -3.439 -2.418 2.958
61 2HB CYS 8 1HB CYS 8 -3.740 -4.039 3.572
62 HA PRO 9 HA PRO 9 -0.642 -7.876 2.102
63 1HB PRO 9 2HB PRO 9 0.994 -8.074 4.303
64 2HB PRO 9 1HB PRO 9 1.547 -7.610 2.691
65 1HG PRO 9 2HG PRO 9 0.874 -5.879 5.036
66 2HG PRO 9 1HG PRO 9 2.220 -5.740 3.889
67 1HD PRO 9 2HD PRO 9 0.048 -4.179 3.698
68 2HD PRO 9 1HD PRO 9 0.893 -4.773 2.254
69 H CYS 10 H CYS 10 -1.833 -6.126 4.872
70 HA CYS 10 HA CYS 10 -2.382 -8.215 6.626
71 1HB CYS 10 2HB CYS 10 -3.999 -6.745 7.665
72 2HB CYS 10 1HB CYS 10 -2.598 -5.799 7.174
73 H GLY 11 H GLY 11 -4.042 -7.204 3.726
74 1HA GLY 11 2HA GLY 11 -5.493 -8.515 2.450
75 2HA GLY 11 1HA GLY 11 -5.618 -9.642 3.792
76 H SER 12 H SER 12 -6.165 -6.166 3.965
77 HA SER 12 HA SER 12 -8.834 -6.675 5.005
78 1HB SER 12 2HB SER 12 -6.931 -4.385 5.061
79 2HB SER 12 1HB SER 12 -8.651 -4.013 5.168
80 HG SER 12 HG SER 12 -8.669 -5.655 6.899
81 H GLY 13 H GLY 13 -7.316 -4.760 2.419
82 1HA GLY 13 2HA GLY 13 -8.768 -5.189 0.283
83 2HA GLY 13 1HA GLY 13 -9.958 -4.310 1.230
84 H LYS 14 H LYS 14 -7.841 -2.611 2.438
85 HA LYS 14 HA LYS 14 -7.676 -0.696 0.244
86 1HB LYS 14 2HB LYS 14 -7.199 -0.437 3.216
87 2HB LYS 14 1HB LYS 14 -6.936 0.875 2.074
88 1HG LYS 14 2HG LYS 14 -9.457 0.182 1.427
89 2HG LYS 14 1HG LYS 14 -9.442 -0.232 3.142
90 1HD LYS 14 2HD LYS 14 -8.189 2.231 3.055
91 2HD LYS 14 1HD LYS 14 -9.471 2.375 1.850
92 1HE LYS 14 2HE LYS 14 -9.922 1.365 4.652
93 2HE LYS 14 1HE LYS 14 -10.103 3.056 4.187
94 1HZ LYS 14 1HZ LYS 14 -11.631 1.957 2.358
95 2HZ LYS 14 2HZ LYS 14 -12.224 2.356 3.891
96 3HZ LYS 14 3HZ LYS 14 -11.788 0.759 3.543
97 H LYS 15 H LYS 15 -5.728 0.389 -0.299
98 HA LYS 15 HA LYS 15 -3.445 -1.323 -0.345
99 1HB LYS 15 2HB LYS 15 -2.345 0.684 -1.445
100 2HB LYS 15 1HB LYS 15 -3.751 0.019 -2.263
101 1HG LYS 15 2HG LYS 15 -4.684 2.003 -0.485
102 2HG LYS 15 1HG LYS 15 -3.300 2.673 -1.347
103 1HD LYS 15 2HD LYS 15 -5.040 3.196 -2.772
104 2HD LYS 15 1HD LYS 15 -4.468 1.669 -3.448
105 1HE LYS 15 2HE LYS 15 -6.231 0.464 -2.319
106 2HE LYS 15 1HE LYS 15 -6.760 1.937 -1.508
107 1HZ LYS 15 1HZ LYS 15 -7.471 2.855 -3.557
108 2HZ LYS 15 2HZ LYS 15 -8.098 1.285 -3.490
109 3HZ LYS 15 3HZ LYS 15 -6.749 1.616 -4.455
110 H TYR 16 H TYR 16 -1.259 -0.586 0.324
111 HA TYR 16 HA TYR 16 -0.988 -0.271 3.015
112 1HB TYR 16 2HB TYR 16 0.732 -0.493 0.890
113 2HB TYR 16 1HB TYR 16 1.117 1.108 1.507
114 HD1 TYR 16 1HD TYR 16 3.274 0.705 2.362
115 HD2 TYR 16 2HD TYR 16 0.045 -1.805 3.542
116 HE1 TYR 16 1HE TYR 16 4.689 -0.291 4.110
117 HE2 TYR 16 2HE TYR 16 1.452 -2.808 5.288
118 HH TYR 16 HH TYR 16 4.206 -1.492 6.413
119 H LYS 17 H LYS 17 -0.485 2.405 0.702
120 HA LYS 17 HA LYS 17 -0.169 4.467 2.479
121 1HB LYS 17 2HB LYS 17 -0.911 5.970 0.701
122 2HB LYS 17 1HB LYS 17 0.136 4.710 0.064
123 1HG LYS 17 2HG LYS 17 -1.469 3.865 -1.246
124 2HG LYS 17 1HG LYS 17 -2.718 4.060 -0.015
125 1HD LYS 17 2HD LYS 17 -3.139 6.274 -0.622
126 2HD LYS 17 1HD LYS 17 -1.595 6.434 -1.462
127 1HE LYS 17 2HE LYS 17 -2.371 5.456 -3.358
128 2HE LYS 17 1HE LYS 17 -3.462 4.380 -2.486
129 1HZ LYS 17 1HZ LYS 17 -3.908 7.279 -2.954
130 2HZ LYS 17 2HZ LYS 17 -4.957 6.241 -2.128
131 3HZ LYS 17 3HZ LYS 17 -4.676 6.018 -3.781
132 H GLN 18 H GLN 18 -3.119 2.813 1.678
133 HA GLN 18 HA GLN 18 -4.765 4.857 2.952
134 1HB GLN 18 2HB GLN 18 -5.505 2.230 1.653
135 2HB GLN 18 1HB GLN 18 -6.655 3.395 2.296
136 1HG GLN 18 2HG GLN 18 -4.685 4.248 0.223
137 2HG GLN 18 1HG GLN 18 -6.132 3.356 -0.244
138 1HE2 GLN 18 1HE2 GLN 18 -4.951 6.269 1.310
139 2HE2 GLN 18 2HE2 GLN 18 -6.379 7.209 1.062
140 H CYS 19 H CYS 19 -3.854 1.476 3.399
141 HA CYS 19 HA CYS 19 -5.266 1.379 5.934
142 1HB CYS 19 2HB CYS 19 -5.290 -0.441 4.147
143 2HB CYS 19 1HB CYS 19 -3.660 -0.839 4.680
144 H HIS 20 H HIS 20 -2.724 -0.743 6.220
145 HA HIS 20 HA HIS 20 -1.605 0.552 8.421
146 1HB HIS 20 2HB HIS 20 -0.656 -1.721 6.696
147 2HB HIS 20 1HB HIS 20 0.310 -1.130 8.043
148 HD2 HIS 20 2HD HIS 20 -0.749 -1.614 10.594
149 HE1 HIS 20 1HE HIS 20 -3.721 -4.281 9.189
150 HE2 HIS 20 2HE HIS 20 -2.649 -3.256 11.246
151 H GLY 21 H GLY 21 -0.425 0.337 5.073
152 1HA GLY 21 2HA GLY 21 2.032 1.556 5.343
153 2HA GLY 21 1HA GLY 21 1.023 1.697 3.914
154 H ARG 22 H ARG 22 -1.105 3.034 5.574
155 HA ARG 22 HA ARG 22 -0.321 5.704 5.059
156 1HB ARG 22 2HB ARG 22 -2.697 4.635 5.221
157 2HB ARG 22 1HB ARG 22 -2.560 5.013 6.932
158 1HG ARG 22 2HG ARG 22 -1.804 7.321 5.469
159 2HG ARG 22 1HG ARG 22 -3.315 6.713 4.792
160 1HD ARG 22 2HD ARG 22 -3.923 6.502 7.373
161 2HD ARG 22 1HD ARG 22 -2.733 7.797 7.493
162 HE ARG 22 HE ARG 22 -4.354 8.644 5.506
163 1HH1 ARG 22 1HH1 ARG 22 -4.964 7.508 8.749
164 2HH1 ARG 22 2HH1 ARG 22 -6.390 8.470 8.952
165 1HH2 ARG 22 1HH2 ARG 22 -6.229 9.909 5.771
166 2HH2 ARG 22 2HH2 ARG 22 -7.109 9.833 7.262
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 8.794 -2.265 3.458
2 2H LYS 1 2HT LYS 1 8.662 -0.600 3.060
3 3H LYS 1 3HT LYS 1 10.086 -1.196 3.812
4 HA LYS 1 HA LYS 1 10.210 -0.747 1.387
5 1HB LYS 1 2HB LYS 1 10.820 -3.470 2.551
6 2HB LYS 1 1HB LYS 1 11.482 -2.883 1.032
7 1HG LYS 1 2HG LYS 1 12.116 -0.853 2.738
8 2HG LYS 1 1HG LYS 1 12.249 -2.269 3.783
9 1HD LYS 1 2HD LYS 1 13.489 -2.329 1.067
10 2HD LYS 1 1HD LYS 1 14.303 -1.463 2.372
11 1HE LYS 1 2HE LYS 1 13.349 -4.129 3.114
12 2HE LYS 1 1HE LYS 1 14.567 -4.130 1.839
13 1HZ LYS 1 1HZ LYS 1 15.657 -2.422 3.557
14 2HZ LYS 1 2HZ LYS 1 15.958 -4.085 3.589
15 3HZ LYS 1 3HZ LYS 1 14.817 -3.412 4.641
16 H VAL 2 H VAL 2 7.414 -1.219 1.639
17 HA VAL 2 HA VAL 2 6.993 -3.259 -0.449
18 HB VAL 2 HB VAL 2 5.881 -3.825 1.687
19 1HG1 VAL 2 1HG1 VAL 2 4.508 -1.178 1.248
20 2HG1 VAL 2 2HG1 VAL 2 5.444 -1.702 2.650
21 3HG1 VAL 2 3HG1 VAL 2 3.872 -2.430 2.317
22 1HG2 VAL 2 1HG2 VAL 2 4.910 -4.177 -0.745
23 2HG2 VAL 2 2HG2 VAL 2 3.647 -3.101 -0.144
24 3HG2 VAL 2 3HG2 VAL 2 3.981 -4.621 0.687
25 H GLY 3 H GLY 3 5.449 -2.799 -2.086
26 1HA GLY 3 2HA GLY 3 5.457 -0.061 -2.929
27 2HA GLY 3 1HA GLY 3 4.647 -1.398 -3.738
28 H ARG 4 H ARG 4 4.396 0.887 -1.077
29 HA ARG 4 HA ARG 4 2.064 0.443 0.094
30 1HB ARG 4 2HB ARG 4 1.695 3.085 -0.211
31 2HB ARG 4 1HB ARG 4 2.841 2.382 0.916
32 1HG ARG 4 2HG ARG 4 4.395 2.560 -1.275
33 2HG ARG 4 1HG ARG 4 3.303 3.917 -1.550
34 1HD ARG 4 2HD ARG 4 4.280 3.725 1.194
35 2HD ARG 4 1HD ARG 4 5.559 3.966 0.004
36 HE ARG 4 HE ARG 4 3.541 5.858 0.792
37 1HH1 ARG 4 1HH1 ARG 4 5.781 4.935 -1.721
38 2HH1 ARG 4 2HH1 ARG 4 5.864 6.525 -2.402
39 1HH2 ARG 4 1HH2 ARG 4 3.648 7.947 -0.103
40 2HH2 ARG 4 2HH2 ARG 4 4.654 8.236 -1.484
41 H ASN 5 H ASN 5 2.312 1.435 -3.251
42 HA ASN 5 HA ASN 5 -0.424 2.132 -3.579
43 1HB ASN 5 2HB ASN 5 1.666 2.645 -5.080
44 2HB ASN 5 1HB ASN 5 1.239 1.121 -5.854
45 1HD2 ASN 5 1HD2 ASN 5 -0.699 0.960 -6.982
46 2HD2 ASN 5 2HD2 ASN 5 -1.586 2.355 -7.482
47 H ASP 6 H ASP 6 0.823 -0.805 -2.823
48 HA ASP 6 HA ASP 6 -1.078 -2.317 -4.464
49 1HB ASP 6 2HB ASP 6 1.170 -3.168 -4.619
50 2HB ASP 6 1HB ASP 6 1.343 -3.177 -2.868
51 HA PRO 7 HA PRO 7 -4.016 -2.929 -1.230
52 1HB PRO 7 2HB PRO 7 -4.219 -5.736 -1.498
53 2HB PRO 7 1HB PRO 7 -5.242 -4.521 -2.265
54 1HG PRO 7 2HG PRO 7 -2.897 -5.988 -3.359
55 2HG PRO 7 1HG PRO 7 -4.355 -5.414 -4.189
56 1HD PRO 7 2HD PRO 7 -2.019 -4.156 -4.491
57 2HD PRO 7 1HD PRO 7 -3.539 -3.242 -4.381
58 H CYS 8 H CYS 8 -3.494 -2.841 0.845
59 HA CYS 8 HA CYS 8 -1.275 -3.555 2.157
60 1HB CYS 8 2HB CYS 8 -3.557 -2.493 2.974
61 2HB CYS 8 1HB CYS 8 -3.837 -4.119 3.584
62 HA PRO 9 HA PRO 9 -0.918 -7.982 1.995
63 1HB PRO 9 2HB PRO 9 0.826 -8.308 4.074
64 2HB PRO 9 1HB PRO 9 1.310 -7.755 2.467
65 1HG PRO 9 2HG PRO 9 0.766 -6.153 4.936
66 2HG PRO 9 1HG PRO 9 2.077 -5.978 3.755
67 1HD PRO 9 2HD PRO 9 -0.078 -4.371 3.728
68 2HD PRO 9 1HD PRO 9 0.726 -4.881 2.230
69 H CYS 10 H CYS 10 -1.877 -6.259 4.876
70 HA CYS 10 HA CYS 10 -2.424 -8.384 6.590
71 1HB CYS 10 2HB CYS 10 -3.860 -6.879 7.798
72 2HB CYS 10 1HB CYS 10 -2.479 -5.963 7.207
73 H GLY 11 H GLY 11 -4.186 -7.203 3.823
74 1HA GLY 11 2HA GLY 11 -5.749 -8.455 2.600
75 2HA GLY 11 1HA GLY 11 -5.928 -9.535 3.975
76 H SER 12 H SER 12 -6.189 -6.016 4.027
77 HA SER 12 HA SER 12 -8.846 -6.269 5.186
78 1HB SER 12 2HB SER 12 -8.628 -3.940 5.786
79 2HB SER 12 1HB SER 12 -7.122 -4.759 6.195
80 HG SER 12 HG SER 12 -7.418 -2.643 4.676
81 H GLY 13 H GLY 13 -7.282 -5.040 2.292
82 1HA GLY 13 2HA GLY 13 -8.770 -5.270 0.278
83 2HA GLY 13 1HA GLY 13 -9.949 -4.362 1.212
84 H LYS 14 H LYS 14 -7.752 -2.669 2.345
85 HA LYS 14 HA LYS 14 -7.603 -0.816 0.088
86 1HB LYS 14 2HB LYS 14 -7.147 -0.433 3.051
87 2HB LYS 14 1HB LYS 14 -6.913 0.833 1.854
88 1HG LYS 14 2HG LYS 14 -9.035 1.376 2.220
89 2HG LYS 14 1HG LYS 14 -9.451 -0.075 1.305
90 1HD LYS 14 2HD LYS 14 -9.655 -1.366 3.301
91 2HD LYS 14 1HD LYS 14 -8.973 -0.065 4.281
92 1HE LYS 14 2HE LYS 14 -10.930 1.036 4.402
93 2HE LYS 14 1HE LYS 14 -11.340 0.692 2.722
94 1HZ LYS 14 1HZ LYS 14 -11.950 -1.572 3.417
95 2HZ LYS 14 2HZ LYS 14 -12.896 -0.391 4.171
96 3HZ LYS 14 3HZ LYS 14 -11.653 -1.152 5.029
97 H LYS 15 H LYS 15 -5.604 0.428 -0.232
98 HA LYS 15 HA LYS 15 -3.342 -1.311 -0.392
99 1HB LYS 15 2HB LYS 15 -3.811 1.577 -1.089
100 2HB LYS 15 1HB LYS 15 -2.207 0.863 -1.191
101 1HG LYS 15 2HG LYS 15 -2.669 -0.040 -3.158
102 2HG LYS 15 1HG LYS 15 -4.112 -0.824 -2.514
103 1HD LYS 15 2HD LYS 15 -4.447 2.047 -2.920
104 2HD LYS 15 1HD LYS 15 -4.066 1.175 -4.407
105 1HE LYS 15 2HE LYS 15 -5.909 -0.480 -3.398
106 2HE LYS 15 1HE LYS 15 -6.461 1.029 -2.674
107 1HZ LYS 15 1HZ LYS 15 -5.818 1.148 -5.501
108 2HZ LYS 15 2HZ LYS 15 -7.106 1.842 -4.653
109 3HZ LYS 15 3HZ LYS 15 -7.171 0.213 -5.103
110 H TYR 16 H TYR 16 -1.147 -0.583 0.381
111 HA TYR 16 HA TYR 16 -0.983 -0.560 3.119
112 1HB TYR 16 2HB TYR 16 0.816 -0.678 1.093
113 2HB TYR 16 1HB TYR 16 1.171 0.919 1.743
114 HD1 TYR 16 1HD TYR 16 0.096 -2.117 3.601
115 HD2 TYR 16 2HD TYR 16 3.249 0.613 2.755
116 HE1 TYR 16 1HE TYR 16 1.453 -3.144 5.377
117 HE2 TYR 16 2HE TYR 16 4.615 -0.407 4.532
118 HH TYR 16 HH TYR 16 4.735 -2.654 5.701
119 H LYS 17 H LYS 17 -0.124 2.306 1.178
120 HA LYS 17 HA LYS 17 -0.067 4.157 3.207
121 1HB LYS 17 2HB LYS 17 -0.488 5.865 1.467
122 2HB LYS 17 1HB LYS 17 0.720 4.682 0.984
123 1HG LYS 17 2HG LYS 17 -1.497 3.534 -0.024
124 2HG LYS 17 1HG LYS 17 -1.943 5.238 -0.134
125 1HD LYS 17 2HD LYS 17 0.786 4.671 -1.021
126 2HD LYS 17 1HD LYS 17 -0.454 3.859 -1.977
127 1HE LYS 17 2HE LYS 17 -1.485 6.379 -1.704
128 2HE LYS 17 1HE LYS 17 0.245 6.696 -1.815
129 1HZ LYS 17 1HZ LYS 17 -1.080 4.901 -3.744
130 2HZ LYS 17 2HZ LYS 17 0.361 5.767 -3.917
131 3HZ LYS 17 3HZ LYS 17 -1.122 6.579 -3.963
132 H GLN 18 H GLN 18 -2.843 2.699 1.743
133 HA GLN 18 HA GLN 18 -4.681 4.691 2.793
134 1HB GLN 18 2HB GLN 18 -5.418 2.066 1.516
135 2HB GLN 18 1HB GLN 18 -6.382 3.535 1.618
136 1HG GLN 18 2HG GLN 18 -3.800 3.534 0.116
137 2HG GLN 18 1HG GLN 18 -5.265 2.891 -0.623
138 1HE2 GLN 18 1HE2 GLN 18 -6.486 4.271 -1.685
139 2HE2 GLN 18 2HE2 GLN 18 -6.473 5.990 -1.506
140 H CYS 19 H CYS 19 -3.471 1.534 3.603
141 HA CYS 19 HA CYS 19 -5.450 1.324 5.764
142 1HB CYS 19 2HB CYS 19 -5.280 -0.497 4.023
143 2HB CYS 19 1HB CYS 19 -3.705 -0.890 4.691
144 H HIS 20 H HIS 20 -2.266 -0.211 5.491
145 HA HIS 20 HA HIS 20 -1.666 0.770 8.187
146 1HB HIS 20 2HB HIS 20 -0.772 -1.592 6.586
147 2HB HIS 20 1HB HIS 20 0.263 -0.991 7.877
148 HD2 HIS 20 2HD HIS 20 -0.994 -1.023 10.471
149 HE1 HIS 20 1HE HIS 20 -3.744 -4.012 9.281
150 HE2 HIS 20 2HE HIS 20 -2.609 -2.896 11.255
151 H GLY 21 H GLY 21 -0.135 0.443 4.992
152 1HA GLY 21 2HA GLY 21 2.319 1.563 5.455
153 2HA GLY 21 1HA GLY 21 1.428 1.783 3.958
154 H ARG 22 H ARG 22 -0.752 3.211 5.395
155 HA ARG 22 HA ARG 22 -1.357 5.376 5.749
156 1HB ARG 22 2HB ARG 22 1.132 5.061 7.376
157 2HB ARG 22 1HB ARG 22 0.404 6.655 7.232
158 1HG ARG 22 2HG ARG 22 -1.387 4.414 7.963
159 2HG ARG 22 1HG ARG 22 -0.226 4.957 9.175
160 1HD ARG 22 2HD ARG 22 -1.125 7.333 8.483
161 2HD ARG 22 1HD ARG 22 -2.529 6.403 7.960
162 HE ARG 22 HE ARG 22 -1.730 5.718 10.607
163 1HH1 ARG 22 1HH1 ARG 22 -3.453 8.113 8.744
164 2HH1 ARG 22 2HH1 ARG 22 -4.458 8.602 10.067
165 1HH2 ARG 22 1HH2 ARG 22 -3.051 6.359 12.349
166 2HH2 ARG 22 2HH2 ARG 22 -4.230 7.607 12.114
Start of MODEL 19
1 1H LYS 1 1HT LYS 1 11.262 -2.963 2.325
2 2H LYS 1 2HT LYS 1 11.311 -3.369 0.658
3 3H LYS 1 3HT LYS 1 10.135 -4.084 1.683
4 HA LYS 1 HA LYS 1 9.352 -1.760 2.122
5 1HB LYS 1 2HB LYS 1 11.479 -1.392 0.139
6 2HB LYS 1 1HB LYS 1 9.970 -0.606 -0.307
7 1HG LYS 1 2HG LYS 1 10.767 1.092 0.911
8 2HG LYS 1 1HG LYS 1 10.185 0.146 2.284
9 1HD LYS 1 2HD LYS 1 12.857 -0.619 1.371
10 2HD LYS 1 1HD LYS 1 12.752 1.047 1.945
11 1HE LYS 1 2HE LYS 1 11.786 -1.365 3.476
12 2HE LYS 1 1HE LYS 1 13.346 -0.581 3.721
13 1HZ LYS 1 1HZ LYS 1 11.180 0.037 5.111
14 2HZ LYS 1 2HZ LYS 1 11.004 1.141 3.842
15 3HZ LYS 1 3HZ LYS 1 12.408 1.154 4.785
16 H VAL 2 H VAL 2 7.315 -2.365 1.780
17 HA VAL 2 HA VAL 2 6.552 -3.832 -0.595
18 HB VAL 2 HB VAL 2 5.587 -4.412 1.610
19 1HG1 VAL 2 1HG1 VAL 2 4.019 -2.999 2.723
20 2HG1 VAL 2 2HG1 VAL 2 4.050 -1.824 1.407
21 3HG1 VAL 2 3HG1 VAL 2 5.471 -2.044 2.430
22 1HG2 VAL 2 1HG2 VAL 2 4.346 -4.392 -0.810
23 2HG2 VAL 2 2HG2 VAL 2 3.184 -3.513 0.183
24 3HG2 VAL 2 3HG2 VAL 2 3.690 -5.138 0.648
25 H GLY 3 H GLY 3 5.145 -3.132 -2.200
26 1HA GLY 3 2HA GLY 3 5.272 -0.429 -2.951
27 2HA GLY 3 1HA GLY 3 4.164 -1.618 -3.625
28 H ARG 4 H ARG 4 4.558 0.981 -1.389
29 HA ARG 4 HA ARG 4 2.439 0.806 0.286
30 1HB ARG 4 2HB ARG 4 4.213 2.698 -0.111
31 2HB ARG 4 1HB ARG 4 2.907 3.435 -1.031
32 1HG ARG 4 2HG ARG 4 1.506 3.555 0.856
33 2HG ARG 4 1HG ARG 4 2.554 2.483 1.793
34 1HD ARG 4 2HD ARG 4 4.261 4.503 1.101
35 2HD ARG 4 1HD ARG 4 2.741 5.367 1.326
36 HE ARG 4 HE ARG 4 2.872 4.953 3.578
37 1HH1 ARG 4 1HH1 ARG 4 5.176 2.931 1.909
38 2HH1 ARG 4 2HH1 ARG 4 5.943 2.389 3.364
39 1HH2 ARG 4 1HH2 ARG 4 3.881 4.242 5.493
40 2HH2 ARG 4 2HH2 ARG 4 5.208 3.133 5.398
41 H ASN 5 H ASN 5 2.294 1.432 -3.137
42 HA ASN 5 HA ASN 5 -0.482 2.257 -3.025
43 1HB ASN 5 2HB ASN 5 1.326 3.102 -4.676
44 2HB ASN 5 1HB ASN 5 1.007 1.611 -5.555
45 1HD2 ASN 5 1HD2 ASN 5 -0.429 1.776 -7.103
46 2HD2 ASN 5 2HD2 ASN 5 -1.730 2.910 -7.176
47 H ASP 6 H ASP 6 0.940 -0.662 -2.741
48 HA ASP 6 HA ASP 6 -0.969 -2.117 -4.408
49 1HB ASP 6 2HB ASP 6 1.298 -2.894 -4.610
50 2HB ASP 6 1HB ASP 6 1.477 -2.998 -2.861
51 HA PRO 7 HA PRO 7 -3.955 -3.042 -1.305
52 1HB PRO 7 2HB PRO 7 -3.840 -5.873 -1.658
53 2HB PRO 7 1HB PRO 7 -5.025 -4.748 -2.323
54 1HG PRO 7 2HG PRO 7 -2.607 -5.910 -3.583
55 2HG PRO 7 1HG PRO 7 -4.117 -5.363 -4.332
56 1HD PRO 7 2HD PRO 7 -1.857 -3.949 -4.568
57 2HD PRO 7 1HD PRO 7 -3.429 -3.144 -4.386
58 H CYS 8 H CYS 8 -3.450 -2.880 0.760
59 HA CYS 8 HA CYS 8 -1.211 -3.505 2.110
60 1HB CYS 8 2HB CYS 8 -3.506 -2.441 2.873
61 2HB CYS 8 1HB CYS 8 -3.784 -4.052 3.524
62 HA PRO 9 HA PRO 9 -0.785 -7.928 2.099
63 1HB PRO 9 2HB PRO 9 0.909 -8.149 4.238
64 2HB PRO 9 1HB PRO 9 1.427 -7.663 2.620
65 1HG PRO 9 2HG PRO 9 0.812 -5.962 5.004
66 2HG PRO 9 1HG PRO 9 2.145 -5.823 3.842
67 1HD PRO 9 2HD PRO 9 -0.023 -4.242 3.703
68 2HD PRO 9 1HD PRO 9 0.812 -4.811 2.244
69 H CYS 10 H CYS 10 -1.890 -6.110 4.855
70 HA CYS 10 HA CYS 10 -2.420 -8.147 6.674
71 1HB CYS 10 2HB CYS 10 -4.000 -6.638 7.707
72 2HB CYS 10 1HB CYS 10 -2.609 -5.714 7.155
73 H GLY 11 H GLY 11 -4.132 -7.212 3.779
74 1HA GLY 11 2HA GLY 11 -5.603 -8.578 2.575
75 2HA GLY 11 1HA GLY 11 -5.743 -9.626 3.979
76 H SER 12 H SER 12 -6.198 -6.142 4.038
77 HA SER 12 HA SER 12 -8.893 -6.545 5.060
78 1HB SER 12 2HB SER 12 -6.942 -4.284 5.052
79 2HB SER 12 1HB SER 12 -8.657 -3.907 5.204
80 HG SER 12 HG SER 12 -7.148 -5.637 6.875
81 H GLY 13 H GLY 13 -7.250 -5.153 2.283
82 1HA GLY 13 2HA GLY 13 -8.645 -5.428 0.196
83 2HA GLY 13 1HA GLY 13 -9.885 -4.559 1.088
84 H LYS 14 H LYS 14 -7.852 -2.797 2.340
85 HA LYS 14 HA LYS 14 -7.698 -0.882 0.159
86 1HB LYS 14 2HB LYS 14 -6.965 -0.547 3.074
87 2HB LYS 14 1HB LYS 14 -7.115 0.740 1.885
88 1HG LYS 14 2HG LYS 14 -9.550 -0.242 1.637
89 2HG LYS 14 1HG LYS 14 -9.225 -0.817 3.274
90 1HD LYS 14 2HD LYS 14 -8.408 1.936 2.956
91 2HD LYS 14 1HD LYS 14 -10.103 1.723 2.519
92 1HE LYS 14 2HE LYS 14 -9.984 0.258 4.788
93 2HE LYS 14 1HE LYS 14 -8.772 1.490 5.136
94 1HZ LYS 14 1HZ LYS 14 -11.658 1.760 4.812
95 2HZ LYS 14 2HZ LYS 14 -10.705 3.028 4.225
96 3HZ LYS 14 3HZ LYS 14 -10.604 2.579 5.852
97 H LYS 15 H LYS 15 -5.703 0.428 -0.095
98 HA LYS 15 HA LYS 15 -3.414 -1.340 -0.279
99 1HB LYS 15 2HB LYS 15 -2.381 0.788 -1.352
100 2HB LYS 15 1HB LYS 15 -3.605 -0.112 -2.233
101 1HG LYS 15 2HG LYS 15 -4.611 2.050 -0.511
102 2HG LYS 15 1HG LYS 15 -3.641 2.556 -1.895
103 1HD LYS 15 2HD LYS 15 -6.078 0.778 -1.993
104 2HD LYS 15 1HD LYS 15 -6.017 2.478 -2.460
105 1HE LYS 15 2HE LYS 15 -4.079 1.627 -4.027
106 2HE LYS 15 1HE LYS 15 -4.907 0.082 -3.836
107 1HZ LYS 15 1HZ LYS 15 -5.735 2.464 -5.271
108 2HZ LYS 15 2HZ LYS 15 -6.957 1.689 -4.394
109 3HZ LYS 15 3HZ LYS 15 -6.092 0.837 -5.572
110 H TYR 16 H TYR 16 -1.263 -0.629 0.404
111 HA TYR 16 HA TYR 16 -0.975 -0.229 3.067
112 1HB TYR 16 2HB TYR 16 0.727 -0.437 0.905
113 2HB TYR 16 1HB TYR 16 1.120 1.146 1.562
114 HD1 TYR 16 1HD TYR 16 0.041 -1.821 3.512
115 HD2 TYR 16 2HD TYR 16 3.273 0.723 2.413
116 HE1 TYR 16 1HE TYR 16 1.448 -2.879 5.227
117 HE2 TYR 16 2HE TYR 16 4.686 -0.326 4.132
118 HH TYR 16 HH TYR 16 4.104 -3.172 5.507
119 H LYS 17 H LYS 17 -0.470 2.407 0.714
120 HA LYS 17 HA LYS 17 -0.166 4.506 2.436
121 1HB LYS 17 2HB LYS 17 -0.852 5.966 0.639
122 2HB LYS 17 1HB LYS 17 0.081 4.631 -0.022
123 1HG LYS 17 2HG LYS 17 -1.700 3.748 -1.129
124 2HG LYS 17 1HG LYS 17 -2.871 4.340 0.051
125 1HD LYS 17 2HD LYS 17 -3.254 5.620 -1.882
126 2HD LYS 17 1HD LYS 17 -2.320 6.672 -0.816
127 1HE LYS 17 2HE LYS 17 -0.313 6.247 -2.044
128 2HE LYS 17 1HE LYS 17 -1.098 4.984 -2.992
129 1HZ LYS 17 1HZ LYS 17 -1.178 6.748 -4.425
130 2HZ LYS 17 2HZ LYS 17 -1.363 7.901 -3.202
131 3HZ LYS 17 3HZ LYS 17 -2.672 6.930 -3.653
132 H GLN 18 H GLN 18 -3.125 2.838 1.679
133 HA GLN 18 HA GLN 18 -4.740 4.900 2.968
134 1HB GLN 18 2HB GLN 18 -5.230 3.218 0.852
135 2HB GLN 18 1HB GLN 18 -6.090 2.425 2.166
136 1HG GLN 18 2HG GLN 18 -7.221 4.600 2.628
137 2HG GLN 18 1HG GLN 18 -6.463 5.239 1.170
138 1HE2 GLN 18 1HE2 GLN 18 -9.292 4.321 2.200
139 2HE2 GLN 18 2HE2 GLN 18 -9.941 3.533 0.808
140 H CYS 19 H CYS 19 -3.695 1.577 3.459
141 HA CYS 19 HA CYS 19 -5.154 1.493 5.990
142 1HB CYS 19 2HB CYS 19 -5.321 -0.347 4.247
143 2HB CYS 19 1HB CYS 19 -3.675 -0.787 4.685
144 H HIS 20 H HIS 20 -2.669 -0.717 6.203
145 HA HIS 20 HA HIS 20 -1.462 0.504 8.388
146 1HB HIS 20 2HB HIS 20 -0.601 -1.729 6.572
147 2HB HIS 20 1HB HIS 20 0.433 -1.180 7.886
148 HD2 HIS 20 2HD HIS 20 -0.435 -1.795 10.454
149 HE1 HIS 20 1HE HIS 20 -3.630 -4.251 9.159
150 HE2 HIS 20 2HE HIS 20 -2.357 -3.383 11.172
151 H GLY 21 H GLY 21 -0.328 0.344 5.015
152 1HA GLY 21 2HA GLY 21 2.134 1.520 5.226
153 2HA GLY 21 1HA GLY 21 1.064 1.770 3.856
154 H ARG 22 H ARG 22 -0.971 3.236 5.024
155 HA ARG 22 HA ARG 22 -1.565 5.367 5.555
156 1HB ARG 22 2HB ARG 22 0.689 4.766 7.356
157 2HB ARG 22 1HB ARG 22 0.376 6.480 7.116
158 1HG ARG 22 2HG ARG 22 -1.727 6.365 8.070
159 2HG ARG 22 1HG ARG 22 -1.866 4.627 7.800
160 1HD ARG 22 2HD ARG 22 0.398 5.098 9.458
161 2HD ARG 22 1HD ARG 22 -0.967 5.995 10.120
162 HE ARG 22 HE ARG 22 -0.639 3.141 10.041
163 1HH1 ARG 22 1HH1 ARG 22 -2.947 5.752 10.230
164 2HH1 ARG 22 2HH1 ARG 22 -4.167 4.785 10.988
165 1HH2 ARG 22 1HH2 ARG 22 -2.243 1.868 11.038
166 2HH2 ARG 22 2HH2 ARG 22 -3.768 2.580 11.448
Start of MODEL 20
1 1H LYS 1 1HT LYS 1 10.371 -2.410 3.185
2 2H LYS 1 2HT LYS 1 9.900 -3.975 2.657
3 3H LYS 1 3HT LYS 1 8.711 -2.774 2.956
4 HA LYS 1 HA LYS 1 9.787 -1.430 1.199
5 1HB LYS 1 2HB LYS 1 11.294 -4.009 1.044
6 2HB LYS 1 1HB LYS 1 10.987 -3.117 -0.440
7 1HG LYS 1 2HG LYS 1 12.544 -1.593 0.024
8 2HG LYS 1 1HG LYS 1 12.019 -1.437 1.701
9 1HD LYS 1 2HD LYS 1 13.465 -3.912 0.903
10 2HD LYS 1 1HD LYS 1 14.394 -2.421 1.073
11 1HE LYS 1 2HE LYS 1 14.527 -3.035 3.233
12 2HE LYS 1 1HE LYS 1 12.904 -2.352 3.332
13 1HZ LYS 1 1HZ LYS 1 13.436 -4.775 4.161
14 2HZ LYS 1 2HZ LYS 1 13.160 -5.155 2.537
15 3HZ LYS 1 3HZ LYS 1 11.951 -4.396 3.443
16 H VAL 2 H VAL 2 7.315 -2.118 1.644
17 HA VAL 2 HA VAL 2 6.431 -3.899 -0.519
18 HB VAL 2 HB VAL 2 5.529 -4.379 1.723
19 1HG1 VAL 2 1HG1 VAL 2 4.216 -1.668 1.516
20 2HG1 VAL 2 2HG1 VAL 2 5.561 -2.073 2.582
21 3HG1 VAL 2 3HG1 VAL 2 3.993 -2.847 2.809
22 1HG2 VAL 2 1HG2 VAL 2 4.176 -4.361 -0.630
23 2HG2 VAL 2 2HG2 VAL 2 3.108 -3.389 0.385
24 3HG2 VAL 2 3HG2 VAL 2 3.547 -5.025 0.878
25 H GLY 3 H GLY 3 5.190 -3.183 -2.197
26 1HA GLY 3 2HA GLY 3 5.289 -0.486 -2.951
27 2HA GLY 3 1HA GLY 3 4.219 -1.693 -3.655
28 H ARG 4 H ARG 4 4.492 0.958 -1.479
29 HA ARG 4 HA ARG 4 2.319 0.763 0.142
30 1HB ARG 4 2HB ARG 4 4.081 2.671 -0.198
31 2HB ARG 4 1HB ARG 4 2.824 3.378 -1.204
32 1HG ARG 4 2HG ARG 4 1.290 3.415 0.635
33 2HG ARG 4 1HG ARG 4 2.432 2.536 1.656
34 1HD ARG 4 2HD ARG 4 2.820 4.679 2.362
35 2HD ARG 4 1HD ARG 4 4.011 4.551 1.068
36 HE ARG 4 HE ARG 4 1.833 5.542 -0.193
37 1HH1 ARG 4 1HH1 ARG 4 3.580 6.511 2.669
38 2HH1 ARG 4 2HH1 ARG 4 3.209 8.191 2.479
39 1HH2 ARG 4 1HH2 ARG 4 1.344 7.752 -0.445
40 2HH2 ARG 4 2HH2 ARG 4 1.939 8.897 0.711
41 H ASN 5 H ASN 5 2.296 1.317 -3.291
42 HA ASN 5 HA ASN 5 -0.474 2.141 -3.332
43 1HB ASN 5 2HB ASN 5 1.431 2.835 -4.970
44 2HB ASN 5 1HB ASN 5 1.058 1.314 -5.775
45 1HD2 ASN 5 1HD2 ASN 5 -0.476 1.340 -7.252
46 2HD2 ASN 5 2HD2 ASN 5 -1.669 2.575 -7.451
47 H ASP 6 H ASP 6 0.918 -0.761 -2.817
48 HA ASP 6 HA ASP 6 -1.003 -2.292 -4.413
49 1HB ASP 6 2HB ASP 6 1.259 -3.075 -4.646
50 2HB ASP 6 1HB ASP 6 1.488 -3.103 -2.902
51 HA PRO 7 HA PRO 7 -3.898 -3.092 -1.189
52 1HB PRO 7 2HB PRO 7 -3.781 -5.936 -1.437
53 2HB PRO 7 1HB PRO 7 -4.995 -4.842 -2.098
54 1HG PRO 7 2HG PRO 7 -2.632 -6.049 -3.407
55 2HG PRO 7 1HG PRO 7 -4.164 -5.511 -4.118
56 1HD PRO 7 2HD PRO 7 -1.894 -4.129 -4.473
57 2HD PRO 7 1HD PRO 7 -3.457 -3.307 -4.282
58 H CYS 8 H CYS 8 -3.358 -2.875 0.869
59 HA CYS 8 HA CYS 8 -1.070 -3.428 2.173
60 1HB CYS 8 2HB CYS 8 -3.254 -2.314 3.012
61 2HB CYS 8 1HB CYS 8 -3.678 -3.923 3.582
62 HA PRO 9 HA PRO 9 -0.479 -7.824 2.231
63 1HB PRO 9 2HB PRO 9 1.039 -7.948 4.538
64 2HB PRO 9 1HB PRO 9 1.671 -7.579 2.931
65 1HG PRO 9 2HG PRO 9 0.934 -5.722 5.152
66 2HG PRO 9 1HG PRO 9 2.308 -5.646 4.034
67 1HD PRO 9 2HD PRO 9 0.156 -4.083 3.711
68 2HD PRO 9 1HD PRO 9 1.021 -4.761 2.318
69 H CYS 10 H CYS 10 -1.885 -6.047 4.863
70 HA CYS 10 HA CYS 10 -2.486 -8.143 6.617
71 1HB CYS 10 2HB CYS 10 -4.142 -6.671 7.584
72 2HB CYS 10 1HB CYS 10 -2.719 -5.727 7.160
73 H GLY 11 H GLY 11 -4.018 -7.100 3.654
74 1HA GLY 11 2HA GLY 11 -5.426 -8.373 2.302
75 2HA GLY 11 1HA GLY 11 -5.569 -9.550 3.599
76 H SER 12 H SER 12 -6.180 -6.096 3.904
77 HA SER 12 HA SER 12 -8.876 -6.690 4.827
78 1HB SER 12 2HB SER 12 -7.024 -4.358 5.034
79 2HB SER 12 1HB SER 12 -8.757 -4.054 5.150
80 HG SER 12 HG SER 12 -7.067 -5.193 6.957
81 H GLY 13 H GLY 13 -7.272 -4.738 2.337
82 1HA GLY 13 2HA GLY 13 -8.645 -5.043 0.154
83 2HA GLY 13 1HA GLY 13 -9.884 -4.225 1.094
84 H LYS 14 H LYS 14 -7.870 -2.543 2.462
85 HA LYS 14 HA LYS 14 -7.643 -0.526 0.370
86 1HB LYS 14 2HB LYS 14 -7.076 -0.305 3.333
87 2HB LYS 14 1HB LYS 14 -7.166 1.028 2.189
88 1HG LYS 14 2HG LYS 14 -9.346 1.200 2.503
89 2HG LYS 14 1HG LYS 14 -9.578 -0.484 2.033
90 1HD LYS 14 2HD LYS 14 -10.260 -0.816 4.137
91 2HD LYS 14 1HD LYS 14 -8.557 -0.684 4.585
92 1HE LYS 14 2HE LYS 14 -9.628 0.829 6.001
93 2HE LYS 14 1HE LYS 14 -8.991 1.841 4.706
94 1HZ LYS 14 1HZ LYS 14 -11.051 2.302 3.925
95 2HZ LYS 14 2HZ LYS 14 -11.478 2.018 5.537
96 3HZ LYS 14 3HZ LYS 14 -11.700 0.806 4.378
97 H LYS 15 H LYS 15 -5.764 0.164 -0.492
98 HA LYS 15 HA LYS 15 -3.454 -1.378 -0.366
99 1HB LYS 15 2HB LYS 15 -2.342 0.751 -1.331
100 2HB LYS 15 1HB LYS 15 -3.604 -0.041 -2.264
101 1HG LYS 15 2HG LYS 15 -4.824 1.875 -0.556
102 2HG LYS 15 1HG LYS 15 -3.475 2.645 -1.391
103 1HD LYS 15 2HD LYS 15 -4.953 2.930 -3.059
104 2HD LYS 15 1HD LYS 15 -4.628 1.232 -3.412
105 1HE LYS 15 2HE LYS 15 -6.639 0.547 -2.632
106 2HE LYS 15 1HE LYS 15 -6.679 1.766 -1.359
107 1HZ LYS 15 1HZ LYS 15 -8.383 2.221 -2.966
108 2HZ LYS 15 2HZ LYS 15 -7.266 2.200 -4.236
109 3HZ LYS 15 3HZ LYS 15 -7.201 3.428 -3.075
110 H TYR 16 H TYR 16 -1.260 -0.575 0.302
111 HA TYR 16 HA TYR 16 -0.993 -0.394 3.006
112 1HB TYR 16 2HB TYR 16 0.736 -0.501 0.914
113 2HB TYR 16 1HB TYR 16 1.038 1.129 1.500
114 HD1 TYR 16 1HD TYR 16 0.140 -1.793 3.604
115 HD2 TYR 16 2HD TYR 16 3.226 0.849 2.330
116 HE1 TYR 16 1HE TYR 16 1.619 -2.686 5.352
117 HE2 TYR 16 2HE TYR 16 4.712 -0.038 4.078
118 HH TYR 16 HH TYR 16 4.919 -2.179 5.407
119 H LYS 17 H LYS 17 -0.598 2.421 0.839
120 HA LYS 17 HA LYS 17 -0.401 4.380 2.771
121 1HB LYS 17 2HB LYS 17 -1.292 5.939 1.010
122 2HB LYS 17 1HB LYS 17 0.061 4.938 0.503
123 1HG LYS 17 2HG LYS 17 -2.133 3.424 -0.183
124 2HG LYS 17 1HG LYS 17 -2.649 5.075 -0.530
125 1HD LYS 17 2HD LYS 17 0.064 4.261 -1.423
126 2HD LYS 17 1HD LYS 17 -1.319 3.603 -2.299
127 1HE LYS 17 2HE LYS 17 -2.023 5.690 -3.017
128 2HE LYS 17 1HE LYS 17 -1.164 6.532 -1.729
129 1HZ LYS 17 1HZ LYS 17 0.738 6.572 -2.903
130 2HZ LYS 17 2HZ LYS 17 -0.291 6.398 -4.235
131 3HZ LYS 17 3HZ LYS 17 0.494 5.045 -3.591
132 H GLN 18 H GLN 18 -3.295 2.868 1.472
133 HA GLN 18 HA GLN 18 -5.040 4.662 2.962
134 1HB GLN 18 2HB GLN 18 -5.792 2.233 1.339
135 2HB GLN 18 1HB GLN 18 -6.857 3.531 1.868
136 1HG GLN 18 2HG GLN 18 -4.528 4.122 0.090
137 2HG GLN 18 1HG GLN 18 -6.032 3.490 -0.579
138 1HE2 GLN 18 1HE2 GLN 18 -7.756 4.811 -0.797
139 2HE2 GLN 18 2HE2 GLN 18 -7.753 6.489 -0.388
140 H CYS 19 H CYS 19 -3.179 2.377 4.084
141 HA CYS 19 HA CYS 19 -5.124 1.551 6.068
142 1HB CYS 19 2HB CYS 19 -5.122 -0.082 4.107
143 2HB CYS 19 1HB CYS 19 -3.513 -0.562 4.646
144 H HIS 20 H HIS 20 -2.615 -0.629 6.227
145 HA HIS 20 HA HIS 20 -1.514 0.580 8.533
146 1HB HIS 20 2HB HIS 20 -0.682 -1.791 6.871
147 2HB HIS 20 1HB HIS 20 0.229 -1.275 8.286
148 HD2 HIS 20 2HD HIS 20 -1.166 -1.520 10.749
149 HE1 HIS 20 1HE HIS 20 -4.040 -4.170 9.128
150 HE2 HIS 20 2HE HIS 20 -3.184 -3.073 11.247
151 H GLY 21 H GLY 21 -0.636 0.665 5.163
152 1HA GLY 21 2HA GLY 21 2.042 1.356 5.275
153 2HA GLY 21 1HA GLY 21 0.926 1.927 4.045
154 H ARG 22 H ARG 22 -0.705 3.251 6.217
155 HA ARG 22 HA ARG 22 1.088 5.543 6.684
156 1HB ARG 22 2HB ARG 22 -1.516 5.395 5.383
157 2HB ARG 22 1HB ARG 22 -1.489 6.574 6.687
158 1HG ARG 22 2HG ARG 22 0.829 6.691 4.898
159 2HG ARG 22 1HG ARG 22 -0.717 7.061 4.132
160 1HD ARG 22 2HD ARG 22 -1.043 8.944 5.382
161 2HD ARG 22 1HD ARG 22 -0.140 8.316 6.759
162 HE ARG 22 HE ARG 22 1.772 9.228 5.883
163 1HH1 ARG 22 1HH1 ARG 22 -0.712 9.223 3.433
164 2HH1 ARG 22 2HH1 ARG 22 0.205 10.185 2.323
165 1HH2 ARG 22 1HH2 ARG 22 2.981 10.493 4.425
166 2HH2 ARG 22 2HH2 ARG 22 2.302 10.906 2.885
Contact the webmaster for help, if required. Tuesday, May 14, 2024 2:16:41 AM GMT (wattos1)