Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
12784 | 1tm6 RC | 6289 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 -6.884 -5.244 -4.788
2 2H GLY 1 2HT GLY 1 -5.698 -5.228 -3.572
3 3H GLY 1 3HT GLY 1 -6.964 -6.359 -3.515
4 1HA GLY 1 2HA GLY 1 -6.041 -7.725 -5.040
5 2HA GLY 1 1HA GLY 1 -5.302 -6.379 -5.908
6 H ARG 2 H ARG 2 -5.004 -6.755 -2.427
7 HA ARG 2 HA ARG 2 -3.024 -6.886 -1.123
8 1HB ARG 2 2HB ARG 2 -3.039 -9.100 -3.152
9 2HB ARG 2 1HB ARG 2 -1.642 -8.936 -2.087
10 1HG ARG 2 2HG ARG 2 -2.782 -9.782 -0.337
11 2HG ARG 2 1HG ARG 2 -4.127 -8.672 -0.604
12 1HD ARG 2 2HD ARG 2 -5.360 -10.387 -1.417
13 2HD ARG 2 1HD ARG 2 -4.160 -10.628 -2.703
14 HE ARG 2 HE ARG 2 -3.635 -11.745 0.014
15 1HH1 ARG 2 1HH2 ARG 2 -5.526 -13.095 -2.131
16 2HH1 ARG 2 2HH2 ARG 2 -4.441 -14.306 -2.728
17 1HH2 ARG 2 1HH1 ARG 2 -1.628 -12.871 -1.293
18 2HH2 ARG 2 2HH1 ARG 2 -2.232 -14.179 -2.253
19 H ASN 3 H ASN 3 -2.884 -4.897 -3.247
20 HA ASN 3 HA ASN 3 -0.195 -5.206 -4.454
21 1HB ASN 3 2HB ASN 3 -1.767 -2.672 -4.603
22 2HB ASN 3 1HB ASN 3 -0.869 -3.505 -5.867
23 1HD2 ASN 3 1HD2 ASN 3 -4.011 -3.176 -4.380
24 2HD2 ASN 3 2HD2 ASN 3 -4.821 -4.286 -5.377
25 H ASP 4 H ASP 4 0.818 -5.214 -2.208
26 HA ASP 4 HA ASP 4 1.031 -2.427 -1.136
27 1HB ASP 4 2HB ASP 4 1.497 -5.156 0.091
28 2HB ASP 4 1HB ASP 4 1.850 -3.643 0.920
29 HA PRO 5 HA PRO 5 4.946 -3.600 -3.399
30 1HB PRO 5 2HB PRO 5 5.188 -1.138 -4.604
31 2HB PRO 5 1HB PRO 5 4.271 -2.482 -5.302
32 1HG PRO 5 2HG PRO 5 3.265 -0.189 -3.668
33 2HG PRO 5 1HG PRO 5 2.629 -0.827 -5.190
34 1HD PRO 5 2HD PRO 5 1.478 -1.492 -2.902
35 2HD PRO 5 1HD PRO 5 1.718 -2.717 -4.167
36 H CYS 6 H CYS 6 5.518 -0.230 -3.216
37 HA CYS 6 HA CYS 6 7.226 0.837 -1.949
38 1HB CYS 6 2HB CYS 6 6.106 1.459 0.127
39 2HB CYS 6 1HB CYS 6 4.898 1.219 -1.103
40 HA PRO 7 HA PRO 7 9.559 -2.096 0.495
41 1HB PRO 7 2HB PRO 7 9.950 -1.169 3.013
42 2HB PRO 7 1HB PRO 7 10.627 -0.360 1.587
43 1HG PRO 7 2HG PRO 7 8.495 0.491 3.340
44 2HG PRO 7 1HG PRO 7 9.393 1.417 2.137
45 1HD PRO 7 2HD PRO 7 6.757 0.199 1.930
46 2HD PRO 7 1HD PRO 7 7.570 1.335 0.829
47 H CYS 8 H CYS 8 6.507 -2.283 0.837
48 HA CYS 8 HA CYS 8 6.390 -3.740 3.399
49 1HB CYS 8 2HB CYS 8 4.296 -2.744 1.464
50 2HB CYS 8 1HB CYS 8 3.907 -3.697 2.888
51 H GLY 9 H GLY 9 5.600 -4.188 -0.060
52 1HA GLY 9 2HA GLY 9 5.340 -6.153 -1.325
53 2HA GLY 9 1HA GLY 9 6.576 -6.827 -0.261
54 H SER 10 H SER 10 3.060 -6.084 -0.242
55 HA SER 10 HA SER 10 2.468 -8.767 0.723
56 1HB SER 10 2HB SER 10 1.753 -8.004 2.920
57 2HB SER 10 1HB SER 10 3.438 -7.573 2.670
58 HG SER 10 HG SER 10 1.631 -5.955 3.413
59 H GLY 11 H GLY 11 0.187 -7.077 2.219
60 1HA GLY 11 2HA GLY 11 -1.382 -6.116 -0.062
61 2HA GLY 11 1HA GLY 11 -2.000 -7.583 0.696
62 H LYS 12 H LYS 12 -3.227 -4.887 0.646
63 HA LYS 12 HA LYS 12 -4.463 -3.565 2.155
64 1HB LYS 12 2HB LYS 12 -3.775 -6.056 3.559
65 2HB LYS 12 1HB LYS 12 -4.144 -4.705 4.633
66 1HG LYS 12 2HG LYS 12 -6.256 -4.322 3.371
67 2HG LYS 12 1HG LYS 12 -5.894 -5.735 2.380
68 1HD LYS 12 2HD LYS 12 -6.331 -5.707 5.381
69 2HD LYS 12 1HD LYS 12 -7.421 -6.382 4.170
70 1HE LYS 12 2HE LYS 12 -4.577 -7.343 4.662
71 2HE LYS 12 1HE LYS 12 -6.046 -8.167 5.221
72 1HZ LYS 12 1HZ LYS 12 -6.723 -7.812 2.723
73 2HZ LYS 12 2HZ LYS 12 -5.801 -9.158 3.196
74 3HZ LYS 12 3HZ LYS 12 -5.043 -7.811 2.491
75 H LYS 13 H LYS 13 -1.596 -4.681 3.884
76 HA LYS 13 HA LYS 13 -0.892 -2.713 5.569
77 1HB LYS 13 2HB LYS 13 0.600 -4.507 5.228
78 2HB LYS 13 1HB LYS 13 0.724 -4.169 3.502
79 1HG LYS 13 2HG LYS 13 2.554 -2.930 3.907
80 2HG LYS 13 1HG LYS 13 1.579 -1.822 4.864
81 1HD LYS 13 2HD LYS 13 1.942 -4.011 6.548
82 2HD LYS 13 1HD LYS 13 3.504 -3.825 5.751
83 1HE LYS 13 2HE LYS 13 3.262 -1.296 6.310
84 2HE LYS 13 1HE LYS 13 2.026 -1.829 7.468
85 1HZ LYS 13 1HZ LYS 13 4.782 -2.928 7.286
86 2HZ LYS 13 2HZ LYS 13 3.594 -3.383 8.413
87 3HZ LYS 13 3HZ LYS 13 4.258 -1.820 8.457
88 H TYR 14 H TYR 14 0.465 -2.442 2.363
89 HA TYR 14 HA TYR 14 1.334 0.118 2.223
90 1HB TYR 14 2HB TYR 14 1.161 -1.661 0.464
91 2HB TYR 14 1HB TYR 14 -0.493 -1.131 0.176
92 HD1 TYR 14 HD1 TYR 14 2.789 -0.767 -0.956
93 HD2 TYR 14 HD2 TYR 14 -0.675 1.596 -0.011
94 HE1 TYR 14 HE1 TYR 14 3.641 1.065 -2.384
95 HE2 TYR 14 HE2 TYR 14 0.184 3.422 -1.439
96 HH TYR 14 HH TYR 14 2.446 3.066 -3.713
97 H LYS 15 H LYS 15 -2.126 -0.730 1.692
98 HA LYS 15 HA LYS 15 -3.154 1.839 1.295
99 1HB LYS 15 2HB LYS 15 -4.083 -0.769 2.034
100 2HB LYS 15 1HB LYS 15 -4.886 0.412 3.069
101 1HG LYS 15 2HG LYS 15 -4.792 1.434 0.385
102 2HG LYS 15 1HG LYS 15 -5.470 -0.194 0.358
103 1HD LYS 15 2HD LYS 15 -7.223 0.384 1.837
104 2HD LYS 15 1HD LYS 15 -6.406 1.856 2.364
105 1HE LYS 15 2HE LYS 15 -6.624 2.264 -0.362
106 2HE LYS 15 1HE LYS 15 -8.143 1.434 0.030
107 1HZ LYS 15 1HZ LYS 15 -7.046 3.915 1.204
108 2HZ LYS 15 2HZ LYS 15 -8.187 2.978 2.047
109 3HZ LYS 15 3HZ LYS 15 -8.583 3.651 0.538
110 H GLN 16 H GLN 16 -2.478 0.188 4.377
111 HA GLN 16 HA GLN 16 -3.165 2.522 6.007
112 1HB GLN 16 2HB GLN 16 -1.533 0.114 6.832
113 2HB GLN 16 1HB GLN 16 -2.643 1.067 7.814
114 1HG GLN 16 2HG GLN 16 -4.070 -0.009 5.552
115 2HG GLN 16 1HG GLN 16 -3.214 -1.310 6.379
116 1HE2 GLN 16 1HE2 GLN 16 -4.617 -2.260 7.863
117 2HE2 GLN 16 2HE2 GLN 16 -5.679 -1.409 8.880
118 H CYS 17 H CYS 17 -0.328 1.304 4.390
119 HA CYS 17 HA CYS 17 1.508 2.982 6.015
120 1HB CYS 17 2HB CYS 17 2.259 0.762 5.542
121 2HB CYS 17 1HB CYS 17 1.793 0.891 3.849
122 H HIS 18 H HIS 18 1.160 2.429 2.489
123 HA HIS 18 HA HIS 18 1.870 5.299 2.065
124 1HB HIS 18 2HB HIS 18 2.153 2.748 0.488
125 2HB HIS 18 1HB HIS 18 2.377 4.325 -0.272
126 HD1 HIS 18 HD1 HIS 18 4.307 1.788 1.209
127 HD2 HIS 18 HD2 HIS 18 4.315 5.932 1.595
128 HE1 HIS 18 HE1 HIS 18 6.583 2.409 2.120
129 H GLY 19 H GLY 19 -0.906 3.617 2.333
130 1HA GLY 19 2HA GLY 19 -2.197 4.476 -0.167
131 2HA GLY 19 1HA GLY 19 -2.984 3.638 1.168
132 H ARG 20 H ARG 20 -2.151 5.426 3.248
133 HA ARG 20 HA ARG 20 -4.216 7.436 3.029
134 1HB ARG 20 2HB ARG 20 -3.361 6.277 5.099
135 2HB ARG 20 1HB ARG 20 -1.884 7.231 4.958
136 1HG ARG 20 2HG ARG 20 -3.867 9.146 4.735
137 2HG ARG 20 1HG ARG 20 -4.533 8.033 5.931
138 1HD ARG 20 2HD ARG 20 -2.145 8.151 7.009
139 2HD ARG 20 1HD ARG 20 -1.998 9.653 6.073
140 HE ARG 20 HE ARG 20 -3.497 10.618 7.612
141 1HH1 ARG 20 1HH2 ARG 20 -3.668 7.189 7.721
142 2HH1 ARG 20 2HH2 ARG 20 -5.074 7.153 8.730
143 1HH2 ARG 20 1HH1 ARG 20 -5.458 10.598 8.773
144 2HH2 ARG 20 2HH1 ARG 20 -6.086 9.082 9.329
145 H LEU 21 H LEU 21 -4.009 9.617 2.498
146 HA LEU 21 HA LEU 21 -1.259 10.667 1.954
147 1HB LEU 21 2HB LEU 21 -3.063 9.785 0.043
148 2HB LEU 21 1HB LEU 21 -3.346 11.526 0.078
149 HG LEU 21 HG LEU 21 -0.537 10.450 -0.015
150 1HD1 LEU 21 1HD1 LEU 21 -0.857 10.958 -2.580
151 2HD1 LEU 21 2HD1 LEU 21 -2.553 10.615 -2.235
152 3HD1 LEU 21 3HD1 LEU 21 -1.325 9.384 -1.935
153 1HD2 LEU 21 1HD2 LEU 21 -0.614 12.782 0.399
154 2HD2 LEU 21 2HD2 LEU 21 -1.956 13.022 -0.721
155 3HD2 LEU 21 3HD2 LEU 21 -0.344 12.667 -1.340
156 H GLN 22 HN GLN 22 -2.377 11.419 4.266
157 HA GLN 22 HA GLN 22 -3.409 14.176 3.712
158 1HB GLN 22 2HB GLN 22 -4.917 12.057 4.629
159 2HB GLN 22 1HB GLN 22 -4.427 12.841 6.132
160 1HG GLN 22 2HG GLN 22 -5.367 14.619 3.936
161 2HG GLN 22 1HG GLN 22 -6.588 13.634 4.742
162 1HE2 GLN 22 1HE2 GLN 22 -6.925 16.281 5.212
163 2HE2 GLN 22 2HE2 GLN 22 -6.367 16.729 6.751
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 -0.471 3.461 -5.037
2 2H GLY 1 2HT GLY 1 -1.753 3.062 -3.994
3 3H GLY 1 3HT GLY 1 -2.075 3.645 -5.558
4 1HA GLY 1 2HA GLY 1 -1.717 1.670 -6.545
5 2HA GLY 1 1HA GLY 1 -0.429 1.256 -5.412
6 H ARG 2 H ARG 2 -2.506 -0.556 -6.126
7 HA ARG 2 HA ARG 2 -4.338 -0.586 -3.781
8 1HB ARG 2 2HB ARG 2 -4.158 -2.414 -6.197
9 2HB ARG 2 1HB ARG 2 -5.523 -2.259 -5.089
10 1HG ARG 2 2HG ARG 2 -4.449 0.006 -6.797
11 2HG ARG 2 1HG ARG 2 -5.844 -0.987 -7.226
12 1HD ARG 2 2HD ARG 2 -7.205 0.069 -5.719
13 2HD ARG 2 1HD ARG 2 -5.925 0.171 -4.494
14 HE ARG 2 HE ARG 2 -4.982 1.909 -6.340
15 1HH1 ARG 2 1HH1 ARG 2 -7.067 2.269 -3.886
16 2HH1 ARG 2 2HH1 ARG 2 -8.018 3.546 -4.571
17 1HH2 ARG 2 1HH2 ARG 2 -6.658 3.211 -7.746
18 2HH2 ARG 2 2HH2 ARG 2 -7.783 4.081 -6.757
19 H ASN 3 H ASN 3 -1.583 -2.292 -5.158
20 HA ASN 3 HA ASN 3 -1.745 -4.529 -3.263
21 1HB ASN 3 2HB ASN 3 0.061 -3.601 -5.471
22 2HB ASN 3 1HB ASN 3 0.600 -4.881 -4.383
23 1HD2 ASN 3 1HD2 ASN 3 -1.578 -6.459 -3.970
24 2HD2 ASN 3 2HD2 ASN 3 -2.217 -7.039 -5.431
25 H ASP 4 H ASP 4 0.759 -4.924 -2.326
26 HA ASP 4 HA ASP 4 1.273 -2.421 -0.787
27 1HB ASP 4 2HB ASP 4 1.605 -5.316 -0.049
28 2HB ASP 4 1HB ASP 4 2.055 -3.982 0.997
29 HA PRO 5 HA PRO 5 4.969 -3.606 -3.396
30 1HB PRO 5 2HB PRO 5 5.121 -1.152 -4.647
31 2HB PRO 5 1HB PRO 5 4.186 -2.513 -5.286
32 1HG PRO 5 2HG PRO 5 3.233 -0.193 -3.659
33 2HG PRO 5 1HG PRO 5 2.522 -0.894 -5.119
34 1HD PRO 5 2HD PRO 5 1.537 -1.485 -2.719
35 2HD PRO 5 1HD PRO 5 1.650 -2.728 -3.981
36 H CYS 6 H CYS 6 5.556 -0.250 -3.286
37 HA CYS 6 HA CYS 6 7.307 0.819 -2.059
38 1HB CYS 6 2HB CYS 6 6.156 1.582 -0.036
39 2HB CYS 6 1HB CYS 6 4.996 1.378 -1.314
40 HA PRO 7 HA PRO 7 9.446 -2.036 0.651
41 1HB PRO 7 2HB PRO 7 9.645 -1.120 3.196
42 2HB PRO 7 1HB PRO 7 10.433 -0.311 1.828
43 1HG PRO 7 2HG PRO 7 8.178 0.546 3.414
44 2HG PRO 7 1HG PRO 7 9.168 1.471 2.285
45 1HD PRO 7 2HD PRO 7 6.551 0.275 1.880
46 2HD PRO 7 1HD PRO 7 7.447 1.402 0.841
47 H CYS 8 H CYS 8 6.342 -2.132 0.830
48 HA CYS 8 HA CYS 8 5.941 -3.552 3.364
49 1HB CYS 8 2HB CYS 8 4.222 -2.638 1.069
50 2HB CYS 8 1HB CYS 8 3.575 -3.718 2.298
51 H GLY 9 H GLY 9 5.459 -4.279 -0.122
52 1HA GLY 9 2HA GLY 9 5.506 -6.339 -1.257
53 2HA GLY 9 1HA GLY 9 6.665 -6.859 -0.031
54 H SER 10 H SER 10 3.138 -6.185 -0.199
55 HA SER 10 HA SER 10 2.474 -8.856 0.692
56 1HB SER 10 2HB SER 10 2.092 -8.366 2.927
57 2HB SER 10 1HB SER 10 3.517 -7.395 2.610
58 HG SER 10 HG SER 10 1.721 -6.299 3.681
59 H GLY 11 H GLY 11 0.193 -7.446 2.234
60 1HA GLY 11 2HA GLY 11 -1.336 -6.237 0.010
61 2HA GLY 11 1HA GLY 11 -2.000 -7.691 0.752
62 H LYS 12 H LYS 12 -3.083 -4.928 0.739
63 HA LYS 12 HA LYS 12 -4.310 -3.614 2.265
64 1HB LYS 12 2HB LYS 12 -3.342 -5.576 4.345
65 2HB LYS 12 1HB LYS 12 -4.828 -4.631 4.365
66 1HG LYS 12 2HG LYS 12 -5.784 -5.908 2.588
67 2HG LYS 12 1HG LYS 12 -4.240 -6.670 2.210
68 1HD LYS 12 2HD LYS 12 -5.818 -8.143 3.512
69 2HD LYS 12 1HD LYS 12 -4.255 -7.897 4.292
70 1HE LYS 12 2HE LYS 12 -5.149 -6.561 5.969
71 2HE LYS 12 1HE LYS 12 -6.483 -5.995 4.946
72 1HZ LYS 12 1HZ LYS 12 -6.191 -8.830 5.754
73 2HZ LYS 12 2HZ LYS 12 -7.555 -8.068 5.084
74 3HZ LYS 12 3HZ LYS 12 -7.078 -7.718 6.678
75 H LYS 13 H LYS 13 -1.573 -4.782 4.154
76 HA LYS 13 HA LYS 13 -0.924 -2.753 5.793
77 1HB LYS 13 2HB LYS 13 0.438 -4.714 5.622
78 2HB LYS 13 1HB LYS 13 0.876 -4.325 3.959
79 1HG LYS 13 2HG LYS 13 2.755 -3.501 4.966
80 2HG LYS 13 1HG LYS 13 1.745 -2.077 5.184
81 1HD LYS 13 2HD LYS 13 1.212 -3.954 7.300
82 2HD LYS 13 1HD LYS 13 2.947 -3.649 7.206
83 1HE LYS 13 2HE LYS 13 2.724 -1.469 7.873
84 2HE LYS 13 1HE LYS 13 1.227 -1.243 6.949
85 1HZ LYS 13 1HZ LYS 13 1.559 -2.638 9.543
86 2HZ LYS 13 2HZ LYS 13 0.164 -2.798 8.587
87 3HZ LYS 13 3HZ LYS 13 0.599 -1.280 9.214
88 H TYR 14 H TYR 14 -0.518 -2.606 2.354
89 HA TYR 14 HA TYR 14 1.037 -0.197 2.207
90 1HB TYR 14 2HB TYR 14 0.504 -1.989 0.506
91 2HB TYR 14 1HB TYR 14 -1.057 -1.216 0.306
92 HD1 TYR 14 HD1 TYR 14 2.500 -1.054 -0.453
93 HD2 TYR 14 HD2 TYR 14 -1.166 1.184 -0.489
94 HE1 TYR 14 HE1 TYR 14 3.517 0.594 -1.987
95 HE2 TYR 14 HE2 TYR 14 -0.143 2.835 -2.025
96 HH TYR 14 HH TYR 14 3.021 2.290 -3.456
97 H LYS 15 H LYS 15 -2.464 -0.741 1.732
98 HA LYS 15 HA LYS 15 -3.361 1.848 1.400
99 1HB LYS 15 2HB LYS 15 -4.367 -0.663 2.608
100 2HB LYS 15 1HB LYS 15 -5.245 0.791 3.084
101 1HG LYS 15 2HG LYS 15 -4.711 0.889 0.258
102 2HG LYS 15 1HG LYS 15 -5.485 -0.647 0.655
103 1HD LYS 15 2HD LYS 15 -6.572 1.873 1.859
104 2HD LYS 15 1HD LYS 15 -6.958 1.493 0.181
105 1HE LYS 15 2HE LYS 15 -7.252 -0.736 2.141
106 2HE LYS 15 1HE LYS 15 -8.457 0.567 2.219
107 1HZ LYS 15 1HZ LYS 15 -7.786 -1.206 -0.035
108 2HZ LYS 15 2HZ LYS 15 -8.401 0.348 -0.346
109 3HZ LYS 15 3HZ LYS 15 -9.311 -0.764 0.559
110 H GLN 16 H GLN 16 -2.552 0.213 4.451
111 HA GLN 16 HA GLN 16 -3.078 2.575 6.103
112 1HB GLN 16 2HB GLN 16 -1.476 0.108 6.818
113 2HB GLN 16 1HB GLN 16 -2.451 1.113 7.884
114 1HG GLN 16 2HG GLN 16 -3.979 -0.061 5.654
115 2HG GLN 16 1HG GLN 16 -3.288 -1.254 6.752
116 1HE2 GLN 16 1HE2 GLN 16 -5.453 -1.739 7.618
117 2HE2 GLN 16 2HE2 GLN 16 -6.222 -0.660 8.680
118 H CYS 17 H CYS 17 -0.396 1.245 4.323
119 HA CYS 17 HA CYS 17 1.588 2.926 5.774
120 1HB CYS 17 2HB CYS 17 1.957 0.499 5.234
121 2HB CYS 17 1HB CYS 17 1.910 0.913 3.524
122 H HIS 18 H HIS 18 0.973 2.193 2.319
123 HA HIS 18 HA HIS 18 1.793 4.996 1.652
124 1HB HIS 18 2HB HIS 18 1.738 2.372 0.154
125 2HB HIS 18 1HB HIS 18 2.160 3.899 -0.607
126 HD1 HIS 18 HD1 HIS 18 4.498 4.821 -0.167
127 HD2 HIS 18 HD2 HIS 18 3.584 1.474 2.119
128 HE1 HIS 18 HE1 HIS 18 6.668 4.077 0.905
129 H GLY 19 H GLY 19 -1.050 3.444 2.200
130 1HA GLY 19 2HA GLY 19 -2.485 3.973 -0.257
131 2HA GLY 19 1HA GLY 19 -3.223 3.630 1.307
132 H ARG 20 H ARG 20 -2.554 5.610 2.929
133 HA ARG 20 HA ARG 20 -3.395 8.106 1.485
134 1HB ARG 20 2HB ARG 20 -3.937 7.290 4.355
135 2HB ARG 20 1HB ARG 20 -4.674 8.629 3.476
136 1HG ARG 20 2HG ARG 20 -4.966 5.703 2.754
137 2HG ARG 20 1HG ARG 20 -6.181 6.670 3.589
138 1HD ARG 20 2HD ARG 20 -5.786 8.287 1.479
139 2HD ARG 20 1HD ARG 20 -5.361 6.741 0.719
140 HE ARG 20 HE ARG 20 -7.736 6.373 2.263
141 1HH1 ARG 20 1HH1 ARG 20 -6.930 5.967 -0.785
142 2HH1 ARG 20 2HH1 ARG 20 -8.271 6.774 -1.526
143 1HH2 ARG 20 1HH2 ARG 20 -9.324 8.285 1.414
144 2HH2 ARG 20 2HH2 ARG 20 -9.629 8.087 -0.280
145 H LEU 21 H LEU 21 -2.870 10.068 3.114
146 HA LEU 21 HA LEU 21 0.027 9.809 3.737
147 1HB LEU 21 2HB LEU 21 -0.096 12.314 3.671
148 2HB LEU 21 1HB LEU 21 -0.669 11.572 2.177
149 HG LEU 21 HG LEU 21 -2.777 11.893 4.196
150 1HD1 LEU 21 1HD1 LEU 21 -2.104 14.466 2.888
151 2HD1 LEU 21 2HD1 LEU 21 -1.033 13.982 4.204
152 3HD1 LEU 21 3HD1 LEU 21 -2.764 14.159 4.495
153 1HD2 LEU 21 1HD2 LEU 21 -3.971 11.829 2.285
154 2HD2 LEU 21 2HD2 LEU 21 -2.460 11.710 1.383
155 3HD2 LEU 21 3HD2 LEU 21 -3.172 13.291 1.706
156 H GLN 22 HN GLN 22 -1.947 8.682 5.495
157 HA GLN 22 HA GLN 22 -2.444 8.632 7.815
158 1HB GLN 22 2HB GLN 22 0.112 8.969 7.631
159 2HB GLN 22 1HB GLN 22 -0.210 10.656 8.030
160 1HG GLN 22 2HG GLN 22 -1.376 9.931 10.096
161 2HG GLN 22 1HG GLN 22 -0.989 8.253 9.708
162 1HE2 GLN 22 1HE2 GLN 22 1.274 7.579 9.873
163 2HE2 GLN 22 2HE2 GLN 22 2.417 8.528 10.695
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 -8.611 -4.194 -2.442
2 2H GLY 1 2HT GLY 1 -8.305 -5.654 -1.627
3 3H GLY 1 3HT GLY 1 -7.354 -5.207 -2.961
4 1HA GLY 1 2HA GLY 1 -7.406 -3.271 -0.810
5 2HA GLY 1 1HA GLY 1 -6.635 -4.808 -0.417
6 H ARG 2 H ARG 2 -6.713 -3.518 -3.683
7 HA ARG 2 HA ARG 2 -4.884 -3.087 -5.137
8 1HB ARG 2 2HB ARG 2 -4.508 -1.482 -2.615
9 2HB ARG 2 1HB ARG 2 -3.382 -1.310 -3.961
10 1HG ARG 2 2HG ARG 2 -4.876 0.243 -4.699
11 2HG ARG 2 1HG ARG 2 -5.762 -1.167 -5.280
12 1HD ARG 2 2HD ARG 2 -6.847 -1.207 -2.916
13 2HD ARG 2 1HD ARG 2 -6.256 0.463 -2.785
14 HE ARG 2 HE ARG 2 -7.425 0.679 -5.150
15 1HH1 ARG 2 1HH1 ARG 2 -8.438 -2.031 -3.491
16 2HH1 ARG 2 2HH1 ARG 2 -10.115 -1.596 -3.428
17 1HH2 ARG 2 1HH2 ARG 2 -9.598 1.613 -4.638
18 2HH2 ARG 2 2HH2 ARG 2 -10.771 0.468 -4.081
19 H ASN 3 H ASN 3 -2.197 -2.625 -4.632
20 HA ASN 3 HA ASN 3 -1.304 -5.262 -3.546
21 1HB ASN 3 2HB ASN 3 0.055 -3.331 -5.444
22 2HB ASN 3 1HB ASN 3 0.574 -4.977 -5.081
23 1HD2 ASN 3 1HD2 ASN 3 0.198 -6.038 -7.063
24 2HD2 ASN 3 2HD2 ASN 3 -1.308 -6.081 -7.845
25 H ASP 4 H ASP 4 0.804 -5.263 -2.396
26 HA ASP 4 HA ASP 4 1.177 -2.714 -0.864
27 1HB ASP 4 2HB ASP 4 1.282 -5.606 -0.297
28 2HB ASP 4 1HB ASP 4 2.227 -4.523 0.716
29 HA PRO 5 HA PRO 5 5.016 -3.812 -3.408
30 1HB PRO 5 2HB PRO 5 5.127 -1.423 -4.758
31 2HB PRO 5 1HB PRO 5 4.216 -2.820 -5.350
32 1HG PRO 5 2HG PRO 5 3.211 -0.479 -3.771
33 2HG PRO 5 1HG PRO 5 2.546 -1.181 -5.253
34 1HD PRO 5 2HD PRO 5 1.483 -1.803 -2.914
35 2HD PRO 5 1HD PRO 5 1.718 -3.062 -4.145
36 H CYS 6 H CYS 6 5.542 -0.470 -3.474
37 HA CYS 6 HA CYS 6 7.200 0.731 -2.273
38 1HB CYS 6 2HB CYS 6 6.000 1.589 -0.345
39 2HB CYS 6 1HB CYS 6 4.823 1.182 -1.566
40 HA PRO 7 HA PRO 7 9.417 -1.902 0.574
41 1HB PRO 7 2HB PRO 7 9.726 -0.684 2.976
42 2HB PRO 7 1HB PRO 7 10.460 -0.055 1.490
43 1HG PRO 7 2HG PRO 7 8.286 1.017 3.054
44 2HG PRO 7 1HG PRO 7 9.220 1.780 1.767
45 1HD PRO 7 2HD PRO 7 6.586 0.538 1.649
46 2HD PRO 7 1HD PRO 7 7.416 1.544 0.443
47 H CYS 8 H CYS 8 6.374 -2.106 0.795
48 HA CYS 8 HA CYS 8 6.140 -3.211 3.527
49 1HB CYS 8 2HB CYS 8 4.153 -2.466 1.382
50 2HB CYS 8 1HB CYS 8 3.680 -3.282 2.866
51 H GLY 9 H GLY 9 5.334 -4.111 0.150
52 1HA GLY 9 2HA GLY 9 5.200 -6.223 -0.871
53 2HA GLY 9 1HA GLY 9 6.377 -6.758 0.327
54 H SER 10 H SER 10 2.890 -6.354 -0.248
55 HA SER 10 HA SER 10 2.269 -8.742 1.236
56 1HB SER 10 2HB SER 10 1.212 -7.600 3.099
57 2HB SER 10 1HB SER 10 2.887 -7.081 2.989
58 HG SER 10 HG SER 10 2.234 -5.139 2.492
59 H GLY 11 H GLY 11 -0.321 -7.329 2.057
60 1HA GLY 11 2HA GLY 11 -1.561 -6.755 -0.567
61 2HA GLY 11 1HA GLY 11 -2.212 -8.118 0.342
62 H LYS 12 H LYS 12 -1.074 -5.556 2.326
63 HA LYS 12 HA LYS 12 -3.622 -4.084 2.358
64 1HB LYS 12 2HB LYS 12 -2.924 -6.279 4.210
65 2HB LYS 12 1HB LYS 12 -3.549 -4.821 4.986
66 1HG LYS 12 2HG LYS 12 -5.052 -5.553 2.581
67 2HG LYS 12 1HG LYS 12 -5.093 -6.809 3.817
68 1HD LYS 12 2HD LYS 12 -6.919 -5.033 3.982
69 2HD LYS 12 1HD LYS 12 -5.978 -5.301 5.450
70 1HE LYS 12 2HE LYS 12 -4.884 -3.260 5.285
71 2HE LYS 12 1HE LYS 12 -5.019 -3.214 3.517
72 1HZ LYS 12 1HZ LYS 12 -6.738 -2.042 5.352
73 2HZ LYS 12 2HZ LYS 12 -7.593 -3.351 4.688
74 3HZ LYS 12 3HZ LYS 12 -6.948 -2.149 3.674
75 H LYS 13 H LYS 13 -0.521 -4.695 3.823
76 HA LYS 13 HA LYS 13 -0.045 -2.651 5.578
77 1HB LYS 13 2HB LYS 13 1.787 -3.394 3.286
78 2HB LYS 13 1HB LYS 13 2.279 -2.697 4.822
79 1HG LYS 13 2HG LYS 13 0.874 -5.363 4.601
80 2HG LYS 13 1HG LYS 13 2.620 -5.187 4.586
81 1HD LYS 13 2HD LYS 13 1.051 -3.873 6.779
82 2HD LYS 13 1HD LYS 13 1.356 -5.609 6.867
83 1HE LYS 13 2HE LYS 13 3.786 -5.205 6.660
84 2HE LYS 13 1HE LYS 13 3.487 -3.458 6.566
85 1HZ LYS 13 1HZ LYS 13 3.267 -5.252 8.845
86 2HZ LYS 13 2HZ LYS 13 2.031 -4.096 8.698
87 3HZ LYS 13 3HZ LYS 13 3.654 -3.602 8.802
88 H TYR 14 H TYR 14 0.990 -2.208 2.282
89 HA TYR 14 HA TYR 14 1.459 0.417 2.004
90 1HB TYR 14 2HB TYR 14 1.343 -1.498 0.352
91 2HB TYR 14 1HB TYR 14 -0.359 -1.100 0.148
92 HD1 TYR 14 HD1 TYR 14 2.761 -0.625 -1.255
93 HD2 TYR 14 HD2 TYR 14 -0.687 1.634 -0.057
94 HE1 TYR 14 HE1 TYR 14 3.426 1.201 -2.784
95 HE2 TYR 14 HE2 TYR 14 -0.025 3.460 -1.586
96 HH TYR 14 HH TYR 14 2.197 3.097 -4.027
97 H LYS 15 H LYS 15 -1.886 -0.804 1.470
98 HA LYS 15 HA LYS 15 -3.243 1.596 1.236
99 1HB LYS 15 2HB LYS 15 -3.782 -1.128 2.011
100 2HB LYS 15 1HB LYS 15 -4.724 -0.048 3.038
101 1HG LYS 15 2HG LYS 15 -4.754 0.817 0.255
102 2HG LYS 15 1HG LYS 15 -5.378 -0.822 0.440
103 1HD LYS 15 2HD LYS 15 -6.452 0.658 2.590
104 2HD LYS 15 1HD LYS 15 -6.629 1.678 1.163
105 1HE LYS 15 2HE LYS 15 -7.940 0.072 0.025
106 2HE LYS 15 1HE LYS 15 -7.402 -1.244 1.086
107 1HZ LYS 15 1HZ LYS 15 -8.575 0.982 2.489
108 2HZ LYS 15 2HZ LYS 15 -8.865 -0.683 2.663
109 3HZ LYS 15 3HZ LYS 15 -9.662 0.199 1.450
110 H GLN 16 H GLN 16 -2.289 -0.014 4.258
111 HA GLN 16 HA GLN 16 -3.140 2.236 5.943
112 1HB GLN 16 2HB GLN 16 -1.375 -0.092 6.717
113 2HB GLN 16 1HB GLN 16 -2.545 0.766 7.714
114 1HG GLN 16 2HG GLN 16 -3.175 -1.087 5.391
115 2HG GLN 16 1HG GLN 16 -3.460 -1.409 7.098
116 1HE2 GLN 16 1HE2 GLN 16 -5.754 -1.455 7.108
117 2HE2 GLN 16 2HE2 GLN 16 -6.717 -0.131 6.658
118 H CYS 17 H CYS 17 -0.246 1.167 4.316
119 HA CYS 17 HA CYS 17 1.494 2.975 5.914
120 1HB CYS 17 2HB CYS 17 2.395 0.813 5.481
121 2HB CYS 17 1HB CYS 17 1.875 0.848 3.798
122 H HIS 18 H HIS 18 1.289 2.326 2.401
123 HA HIS 18 HA HIS 18 1.791 5.216 1.894
124 1HB HIS 18 2HB HIS 18 2.012 2.640 0.337
125 2HB HIS 18 1HB HIS 18 2.122 4.203 -0.470
126 HD1 HIS 18 HD1 HIS 18 4.672 3.074 -0.847
127 HD2 HIS 18 HD2 HIS 18 3.742 4.595 2.921
128 HE1 HIS 18 HE1 HIS 18 6.878 3.461 0.334
129 H GLY 19 H GLY 19 -0.927 3.437 2.374
130 1HA GLY 19 2HA GLY 19 -2.434 4.159 -0.022
131 2HA GLY 19 1HA GLY 19 -3.106 3.464 1.454
132 H ARG 20 H ARG 20 -1.351 5.864 2.663
133 HA ARG 20 HA ARG 20 -3.222 8.083 2.068
134 1HB ARG 20 2HB ARG 20 -3.897 8.282 4.376
135 2HB ARG 20 1HB ARG 20 -4.120 6.593 3.918
136 1HG ARG 20 2HG ARG 20 -1.775 6.170 4.830
137 2HG ARG 20 1HG ARG 20 -1.849 7.791 5.521
138 1HD ARG 20 2HD ARG 20 -4.086 7.042 6.586
139 2HD ARG 20 1HD ARG 20 -3.565 5.392 6.191
140 HE ARG 20 HE ARG 20 -1.362 6.703 7.397
141 1HH1 ARG 20 1HH2 ARG 20 -4.449 7.010 8.579
142 2HH1 ARG 20 2HH2 ARG 20 -4.175 6.160 10.063
143 1HH2 ARG 20 1HH1 ARG 20 -1.035 5.022 9.141
144 2HH2 ARG 20 2HH1 ARG 20 -2.244 5.036 10.381
145 H LEU 21 H LEU 21 -0.358 6.934 3.738
146 HA LEU 21 HA LEU 21 1.673 8.025 4.266
147 1HB LEU 21 2HB LEU 21 0.534 9.203 1.819
148 2HB LEU 21 1HB LEU 21 1.671 10.267 2.648
149 HG LEU 21 HG LEU 21 2.489 7.422 2.397
150 1HD1 LEU 21 1HD1 LEU 21 2.450 9.330 0.037
151 2HD1 LEU 21 2HD1 LEU 21 1.515 7.841 0.176
152 3HD1 LEU 21 3HD1 LEU 21 3.275 7.772 0.073
153 1HD2 LEU 21 1HD2 LEU 21 4.673 8.460 2.075
154 2HD2 LEU 21 2HD2 LEU 21 3.870 9.233 3.443
155 3HD2 LEU 21 3HD2 LEU 21 3.924 10.045 1.878
156 H GLN 22 HN GLN 22 0.793 8.601 6.419
157 HA GLN 22 HA GLN 22 -0.504 11.208 6.779
158 1HB GLN 22 2HB GLN 22 -0.579 8.878 8.103
159 2HB GLN 22 1HB GLN 22 0.718 9.649 9.017
160 1HG GLN 22 2HG GLN 22 -0.759 10.954 10.101
161 2HG GLN 22 1HG GLN 22 -1.415 11.539 8.572
162 1HE2 GLN 22 1HE2 GLN 22 -3.433 11.319 10.224
163 2HE2 GLN 22 2HE2 GLN 22 -4.288 9.858 10.088
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 -4.410 -8.075 -4.342
2 2H GLY 1 2HT GLY 1 -5.420 -7.636 -3.049
3 3H GLY 1 3HT GLY 1 -5.904 -8.851 -4.133
4 1HA GLY 1 2HA GLY 1 -4.682 -9.263 -1.746
5 2HA GLY 1 1HA GLY 1 -4.790 -10.435 -3.061
6 H ARG 2 H ARG 2 -2.971 -7.437 -3.331
7 HA ARG 2 HA ARG 2 -0.386 -8.383 -2.562
8 1HB ARG 2 2HB ARG 2 -1.510 -9.459 -4.992
9 2HB ARG 2 1HB ARG 2 -0.066 -8.532 -5.365
10 1HG ARG 2 2HG ARG 2 0.187 -10.275 -2.997
11 2HG ARG 2 1HG ARG 2 -0.020 -11.132 -4.526
12 1HD ARG 2 2HD ARG 2 2.027 -8.923 -4.102
13 2HD ARG 2 1HD ARG 2 2.398 -10.655 -3.991
14 HE ARG 2 HE ARG 2 1.134 -10.526 -6.405
15 1HH1 ARG 2 1HH1 ARG 2 4.236 -10.410 -5.682
16 2HH1 ARG 2 2HH1 ARG 2 4.738 -9.241 -6.856
17 1HH2 ARG 2 1HH2 ARG 2 1.508 -8.244 -7.634
18 2HH2 ARG 2 2HH2 ARG 2 3.194 -8.016 -7.961
19 H ASN 3 H ASN 3 -2.143 -5.834 -3.056
20 HA ASN 3 HA ASN 3 -0.325 -4.421 -4.921
21 1HB ASN 3 2HB ASN 3 -2.352 -2.841 -3.528
22 2HB ASN 3 1HB ASN 3 -2.037 -2.987 -5.253
23 1HD2 ASN 3 1HD2 ASN 3 -4.583 -3.372 -3.338
24 2HD2 ASN 3 2HD2 ASN 3 -5.301 -4.762 -3.996
25 H ASP 4 H ASP 4 0.758 -5.232 -2.301
26 HA ASP 4 HA ASP 4 0.970 -2.547 -0.975
27 1HB ASP 4 2HB ASP 4 1.134 -5.395 -0.160
28 2HB ASP 4 1HB ASP 4 2.074 -4.237 0.769
29 HA PRO 5 HA PRO 5 4.854 -3.552 -3.417
30 1HB PRO 5 2HB PRO 5 5.056 -1.042 -4.525
31 2HB PRO 5 1HB PRO 5 4.152 -2.371 -5.265
32 1HG PRO 5 2HG PRO 5 3.130 -0.155 -3.537
33 2HG PRO 5 1HG PRO 5 2.492 -0.742 -5.080
34 1HD PRO 5 2HD PRO 5 1.354 -1.513 -2.813
35 2HD PRO 5 1HD PRO 5 1.617 -2.688 -4.126
36 H CYS 6 H CYS 6 5.468 -0.223 -3.155
37 HA CYS 6 HA CYS 6 7.192 0.800 -1.915
38 1HB CYS 6 2HB CYS 6 6.171 1.399 0.211
39 2HB CYS 6 1HB CYS 6 4.910 1.198 -0.967
40 HA PRO 7 HA PRO 7 9.617 -2.187 0.337
41 1HB PRO 7 2HB PRO 7 10.157 -1.291 2.837
42 2HB PRO 7 1HB PRO 7 10.751 -0.465 1.384
43 1HG PRO 7 2HG PRO 7 8.718 0.364 3.266
44 2HG PRO 7 1HG PRO 7 9.560 1.308 2.038
45 1HD PRO 7 2HD PRO 7 6.910 0.120 1.938
46 2HD PRO 7 1HD PRO 7 7.684 1.256 0.809
47 H CYS 8 H CYS 8 6.578 -2.319 0.860
48 HA CYS 8 HA CYS 8 6.611 -3.827 3.396
49 1HB CYS 8 2HB CYS 8 4.395 -2.741 1.656
50 2HB CYS 8 1HB CYS 8 4.116 -3.658 3.131
51 H GLY 9 H GLY 9 5.273 -4.197 0.076
52 1HA GLY 9 2HA GLY 9 4.919 -6.146 -1.194
53 2HA GLY 9 1HA GLY 9 6.194 -6.890 -0.231
54 H SER 10 H SER 10 2.720 -6.165 -0.245
55 HA SER 10 HA SER 10 2.164 -8.688 1.096
56 1HB SER 10 2HB SER 10 1.260 -7.565 3.093
57 2HB SER 10 1HB SER 10 2.969 -7.205 2.884
58 HG SER 10 HG SER 10 0.745 -5.568 2.681
59 H GLY 11 H GLY 11 -0.304 -7.121 2.189
60 1HA GLY 11 2HA GLY 11 -1.772 -7.017 -0.407
61 2HA GLY 11 1HA GLY 11 -2.474 -7.715 1.048
62 H LYS 12 H LYS 12 -2.562 -6.043 2.987
63 HA LYS 12 HA LYS 12 -3.656 -3.518 1.831
64 1HB LYS 12 2HB LYS 12 -4.271 -5.300 4.138
65 2HB LYS 12 1HB LYS 12 -4.678 -3.589 4.293
66 1HG LYS 12 2HG LYS 12 -6.343 -3.711 2.741
67 2HG LYS 12 1HG LYS 12 -5.430 -4.814 1.710
68 1HD LYS 12 2HD LYS 12 -6.823 -5.589 4.290
69 2HD LYS 12 1HD LYS 12 -7.438 -5.910 2.668
70 1HE LYS 12 2HE LYS 12 -5.276 -7.172 2.207
71 2HE LYS 12 1HE LYS 12 -4.929 -7.040 3.943
72 1HZ LYS 12 1HZ LYS 12 -6.196 -8.880 4.078
73 2HZ LYS 12 2HZ LYS 12 -6.954 -8.610 2.582
74 3HZ LYS 12 3HZ LYS 12 -7.495 -7.793 3.971
75 H LYS 13 H LYS 13 -1.134 -4.651 3.864
76 HA LYS 13 HA LYS 13 -0.546 -2.738 5.711
77 1HB LYS 13 2HB LYS 13 0.934 -4.574 5.249
78 2HB LYS 13 1HB LYS 13 1.212 -3.991 3.609
79 1HG LYS 13 2HG LYS 13 3.119 -3.199 4.647
80 2HG LYS 13 1HG LYS 13 2.054 -1.819 4.885
81 1HD LYS 13 2HD LYS 13 1.367 -2.977 7.096
82 2HD LYS 13 1HD LYS 13 2.818 -3.955 6.872
83 1HE LYS 13 2HE LYS 13 3.953 -2.262 7.881
84 2HE LYS 13 1HE LYS 13 3.672 -1.321 6.402
85 1HZ LYS 13 1HZ LYS 13 1.513 -0.659 7.273
86 2HZ LYS 13 2HZ LYS 13 2.754 -0.179 8.330
87 3HZ LYS 13 3HZ LYS 13 1.797 -1.533 8.699
88 H TYR 14 H TYR 14 0.646 -2.405 2.444
89 HA TYR 14 HA TYR 14 1.561 0.168 2.342
90 1HB TYR 14 2HB TYR 14 1.346 -1.584 0.551
91 2HB TYR 14 1HB TYR 14 -0.325 -1.063 0.334
92 HD1 TYR 14 HD1 TYR 14 -0.524 1.680 0.230
93 HD2 TYR 14 HD2 TYR 14 2.894 -0.654 -0.917
94 HE1 TYR 14 HE1 TYR 14 0.273 3.539 -1.185
95 HE2 TYR 14 HE2 TYR 14 3.684 1.205 -2.341
96 HH TYR 14 HH TYR 14 1.801 3.692 -3.328
97 H LYS 15 H LYS 15 -1.901 -0.679 1.804
98 HA LYS 15 HA LYS 15 -2.950 1.886 1.505
99 1HB LYS 15 2HB LYS 15 -3.862 -0.724 2.563
100 2HB LYS 15 1HB LYS 15 -4.829 0.658 3.076
101 1HG LYS 15 2HG LYS 15 -4.344 1.088 0.345
102 2HG LYS 15 1HG LYS 15 -4.713 -0.632 0.476
103 1HD LYS 15 2HD LYS 15 -6.777 -0.100 1.719
104 2HD LYS 15 1HD LYS 15 -6.410 1.621 1.594
105 1HE LYS 15 2HE LYS 15 -6.734 -0.193 -0.823
106 2HE LYS 15 1HE LYS 15 -8.036 0.818 -0.166
107 1HZ LYS 15 1HZ LYS 15 -7.114 2.352 -1.528
108 2HZ LYS 15 2HZ LYS 15 -5.586 1.610 -1.531
109 3HZ LYS 15 3HZ LYS 15 -6.062 2.578 -0.219
110 H GLN 16 H GLN 16 -2.279 0.170 4.543
111 HA GLN 16 HA GLN 16 -2.958 2.437 6.250
112 1HB GLN 16 2HB GLN 16 -1.332 -0.049 6.869
113 2HB GLN 16 1HB GLN 16 -2.282 0.913 8.000
114 1HG GLN 16 2HG GLN 16 -3.517 -0.530 5.634
115 2HG GLN 16 1HG GLN 16 -3.370 -1.260 7.230
116 1HE2 GLN 16 1HE2 GLN 16 -3.960 0.932 8.903
117 2HE2 GLN 16 2HE2 GLN 16 -5.551 1.448 8.620
118 H CYS 17 H CYS 17 -0.194 1.494 4.432
119 HA CYS 17 HA CYS 17 1.652 3.112 6.129
120 1HB CYS 17 2HB CYS 17 2.478 0.932 5.678
121 2HB CYS 17 1HB CYS 17 1.935 0.984 4.003
122 H HIS 18 H HIS 18 1.416 2.534 2.602
123 HA HIS 18 HA HIS 18 2.019 5.429 2.177
124 1HB HIS 18 2HB HIS 18 2.386 2.921 0.537
125 2HB HIS 18 1HB HIS 18 2.739 4.535 -0.080
126 HD1 HIS 18 HD1 HIS 18 4.468 1.821 1.229
127 HD2 HIS 18 HD2 HIS 18 4.530 5.875 2.168
128 HE1 HIS 18 HE1 HIS 18 6.694 2.252 2.333
129 H GLY 19 H GLY 19 -0.745 3.675 2.323
130 1HA GLY 19 2HA GLY 19 -1.847 4.643 -0.258
131 2HA GLY 19 1HA GLY 19 -2.655 3.539 0.847
132 H ARG 20 H ARG 20 -1.730 5.600 3.048
133 HA ARG 20 HA ARG 20 -4.201 6.859 3.468
134 1HB ARG 20 2HB ARG 20 -2.494 6.745 5.172
135 2HB ARG 20 1HB ARG 20 -1.386 7.701 4.185
136 1HG ARG 20 2HG ARG 20 -2.499 9.681 4.598
137 2HG ARG 20 1HG ARG 20 -4.058 8.882 4.794
138 1HD ARG 20 2HD ARG 20 -3.592 8.242 7.021
139 2HD ARG 20 1HD ARG 20 -1.845 8.481 6.816
140 HE ARG 20 HE ARG 20 -3.625 10.533 7.615
141 1HH1 ARG 20 1HH2 ARG 20 -0.517 10.161 6.667
142 2HH1 ARG 20 2HH2 ARG 20 -0.350 11.681 5.852
143 1HH2 ARG 20 1HH1 ARG 20 -3.741 12.401 5.940
144 2HH2 ARG 20 2HH1 ARG 20 -2.175 12.953 5.449
145 H LEU 21 H LEU 21 -1.678 9.181 3.023
146 HA LEU 21 HA LEU 21 -3.166 11.129 1.710
147 1HB LEU 21 2HB LEU 21 -0.976 12.029 1.056
148 2HB LEU 21 1HB LEU 21 -0.886 11.348 2.681
149 HG LEU 21 HG LEU 21 -0.333 9.199 0.959
150 1HD1 LEU 21 1HD1 LEU 21 1.134 9.917 -0.678
151 2HD1 LEU 21 2HD1 LEU 21 1.576 11.375 0.209
152 3HD1 LEU 21 3HD1 LEU 21 0.035 11.296 -0.646
153 1HD2 LEU 21 1HD2 LEU 21 0.760 9.368 3.056
154 2HD2 LEU 21 2HD2 LEU 21 1.327 11.005 2.722
155 3HD2 LEU 21 3HD2 LEU 21 2.048 9.631 1.882
156 H GLN 22 HN GLN 22 -4.496 10.363 0.034
157 HA GLN 22 HA GLN 22 -3.148 9.060 -2.298
158 1HB GLN 22 2HB GLN 22 -5.507 8.430 -2.861
159 2HB GLN 22 1HB GLN 22 -5.009 7.854 -1.270
160 1HG GLN 22 2HG GLN 22 -6.150 10.557 -1.206
161 2HG GLN 22 1HG GLN 22 -7.286 9.336 -1.783
162 1HE2 GLN 22 1HE2 GLN 22 -6.198 10.777 1.030
163 2HE2 GLN 22 2HE2 GLN 22 -6.569 9.541 2.130
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 -5.814 -4.309 -1.906
2 2H GLY 1 2HT GLY 1 -7.458 -4.152 -2.307
3 3H GLY 1 3HT GLY 1 -6.372 -4.842 -3.416
4 1HA GLY 1 2HA GLY 1 -7.397 -5.985 -0.890
5 2HA GLY 1 1HA GLY 1 -7.492 -6.664 -2.516
6 H ARG 2 H ARG 2 -5.067 -6.698 -3.531
7 HA ARG 2 HA ARG 2 -3.223 -7.816 -1.453
8 1HB ARG 2 2HB ARG 2 -3.828 -9.041 -4.164
9 2HB ARG 2 1HB ARG 2 -2.884 -9.762 -2.860
10 1HG ARG 2 2HG ARG 2 -5.782 -8.983 -2.493
11 2HG ARG 2 1HG ARG 2 -5.309 -10.570 -3.101
12 1HD ARG 2 2HD ARG 2 -3.840 -10.819 -1.042
13 2HD ARG 2 1HD ARG 2 -4.622 -9.356 -0.408
14 HE ARG 2 HE ARG 2 -6.812 -10.739 -1.033
15 1HH1 ARG 2 1HH1 ARG 2 -4.843 -13.141 -1.285
16 2HH1 ARG 2 2HH1 ARG 2 -5.117 -13.911 0.243
17 1HH2 ARG 2 1HH2 ARG 2 -6.743 -11.187 1.634
18 2HH2 ARG 2 2HH2 ARG 2 -6.187 -12.808 1.891
19 H ASN 3 H ASN 3 -2.548 -5.362 -2.154
20 HA ASN 3 HA ASN 3 -0.316 -5.707 -4.105
21 1HB ASN 3 2HB ASN 3 -1.966 -3.222 -4.274
22 2HB ASN 3 1HB ASN 3 -1.059 -4.047 -5.540
23 1HD2 ASN 3 1HD2 ASN 3 -4.090 -4.213 -3.651
24 2HD2 ASN 3 2HD2 ASN 3 -4.917 -5.192 -4.764
25 H ASP 4 H ASP 4 0.958 -5.554 -2.083
26 HA ASP 4 HA ASP 4 1.008 -2.760 -1.014
27 1HB ASP 4 2HB ASP 4 1.594 -5.457 0.198
28 2HB ASP 4 1HB ASP 4 2.067 -3.956 0.987
29 HA PRO 5 HA PRO 5 4.915 -3.625 -3.410
30 1HB PRO 5 2HB PRO 5 4.945 -1.127 -4.563
31 2HB PRO 5 1HB PRO 5 4.112 -2.520 -5.264
32 1HG PRO 5 2HG PRO 5 2.981 -0.346 -3.543
33 2HG PRO 5 1HG PRO 5 2.365 -0.989 -5.080
34 1HD PRO 5 2HD PRO 5 1.296 -1.822 -2.804
35 2HD PRO 5 1HD PRO 5 1.644 -2.987 -4.100
36 H CYS 6 H CYS 6 5.321 -0.249 -3.211
37 HA CYS 6 HA CYS 6 6.997 0.890 -1.992
38 1HB CYS 6 2HB CYS 6 5.947 1.476 0.115
39 2HB CYS 6 1HB CYS 6 4.691 1.164 -1.045
40 HA PRO 7 HA PRO 7 9.581 -1.915 0.330
41 1HB PRO 7 2HB PRO 7 10.045 -0.958 2.826
42 2HB PRO 7 1HB PRO 7 10.620 -0.128 1.368
43 1HG PRO 7 2HG PRO 7 8.535 0.636 3.213
44 2HG PRO 7 1HG PRO 7 9.334 1.595 1.968
45 1HD PRO 7 2HD PRO 7 6.750 0.262 1.886
46 2HD PRO 7 1HD PRO 7 7.458 1.420 0.740
47 H CYS 8 H CYS 8 6.562 -2.247 0.809
48 HA CYS 8 HA CYS 8 6.671 -3.726 3.362
49 1HB CYS 8 2HB CYS 8 4.394 -2.767 1.622
50 2HB CYS 8 1HB CYS 8 4.165 -3.704 3.094
51 H GLY 9 H GLY 9 5.489 -4.130 0.002
52 1HA GLY 9 2HA GLY 9 5.186 -6.068 -1.290
53 2HA GLY 9 1HA GLY 9 6.515 -6.754 -0.351
54 H SER 10 H SER 10 2.998 -6.393 -0.479
55 HA SER 10 HA SER 10 2.570 -8.931 0.802
56 1HB SER 10 2HB SER 10 1.735 -7.960 2.911
57 2HB SER 10 1HB SER 10 3.431 -7.581 2.658
58 HG SER 10 HG SER 10 1.558 -5.885 3.145
59 H GLY 11 H GLY 11 0.201 -7.202 2.133
60 1HA GLY 11 2HA GLY 11 -1.406 -6.530 -0.216
61 2HA GLY 11 1HA GLY 11 -1.964 -7.954 0.668
62 H LYS 12 H LYS 12 -2.813 -4.930 0.360
63 HA LYS 12 HA LYS 12 -4.210 -3.594 1.727
64 1HB LYS 12 2HB LYS 12 -3.415 -5.331 4.056
65 2HB LYS 12 1HB LYS 12 -4.904 -4.420 3.830
66 1HG LYS 12 2HG LYS 12 -5.214 -5.953 1.724
67 2HG LYS 12 1HG LYS 12 -4.075 -7.011 2.557
68 1HD LYS 12 2HD LYS 12 -6.436 -5.894 4.042
69 2HD LYS 12 1HD LYS 12 -6.631 -7.310 3.007
70 1HE LYS 12 2HE LYS 12 -5.626 -8.652 4.535
71 2HE LYS 12 1HE LYS 12 -4.264 -7.526 4.712
72 1HZ LYS 12 1HZ LYS 12 -5.281 -6.395 6.373
73 2HZ LYS 12 2HZ LYS 12 -6.055 -7.886 6.627
74 3HZ LYS 12 3HZ LYS 12 -6.842 -6.654 5.761
75 H LYS 13 H LYS 13 -1.705 -4.602 3.994
76 HA LYS 13 HA LYS 13 -1.009 -2.593 5.482
77 1HB LYS 13 2HB LYS 13 0.475 -4.457 5.223
78 2HB LYS 13 1HB LYS 13 0.883 -3.957 3.586
79 1HG LYS 13 2HG LYS 13 2.704 -3.123 4.744
80 2HG LYS 13 1HG LYS 13 1.632 -1.729 4.774
81 1HD LYS 13 2HD LYS 13 0.791 -2.456 7.002
82 2HD LYS 13 1HD LYS 13 1.955 -3.782 6.979
83 1HE LYS 13 2HE LYS 13 3.634 -2.406 7.636
84 2HE LYS 13 1HE LYS 13 3.234 -1.227 6.372
85 1HZ LYS 13 1HZ LYS 13 2.790 -0.221 8.481
86 2HZ LYS 13 2HZ LYS 13 1.882 -1.562 8.995
87 3HZ LYS 13 3HZ LYS 13 1.298 -0.566 7.748
88 H TYR 14 H TYR 14 0.209 -2.378 2.197
89 HA TYR 14 HA TYR 14 1.254 0.160 2.134
90 1HB TYR 14 2HB TYR 14 1.020 -1.535 0.317
91 2HB TYR 14 1HB TYR 14 -0.637 -0.979 0.083
92 HD1 TYR 14 HD1 TYR 14 2.643 -0.573 -1.046
93 HD2 TYR 14 HD2 TYR 14 -0.827 1.746 -0.024
94 HE1 TYR 14 HE1 TYR 14 3.494 1.304 -2.415
95 HE2 TYR 14 HE2 TYR 14 0.031 3.622 -1.385
96 HH TYR 14 HH TYR 14 1.607 3.871 -3.390
97 H LYS 15 H LYS 15 -2.169 -0.391 1.190
98 HA LYS 15 HA LYS 15 -2.990 2.251 1.056
99 1HB LYS 15 2HB LYS 15 -5.189 1.370 1.318
100 2HB LYS 15 1HB LYS 15 -4.247 0.038 0.652
101 1HG LYS 15 2HG LYS 15 -3.839 -0.590 3.152
102 2HG LYS 15 1HG LYS 15 -5.238 0.422 3.459
103 1HD LYS 15 2HD LYS 15 -5.179 -1.895 1.508
104 2HD LYS 15 1HD LYS 15 -5.857 -1.968 3.136
105 1HE LYS 15 2HE LYS 15 -7.785 -1.000 2.440
106 2HE LYS 15 1HE LYS 15 -6.894 0.324 1.662
107 1HZ LYS 15 1HZ LYS 15 -8.191 -1.439 0.232
108 2HZ LYS 15 2HZ LYS 15 -6.766 -2.339 0.450
109 3HZ LYS 15 3HZ LYS 15 -6.704 -0.811 -0.291
110 H GLN 16 H GLN 16 -2.469 0.253 3.918
111 HA GLN 16 HA GLN 16 -3.384 2.349 5.779
112 1HB GLN 16 2HB GLN 16 -1.773 -0.104 6.474
113 2HB GLN 16 1HB GLN 16 -3.070 0.654 7.394
114 1HG GLN 16 2HG GLN 16 -4.444 -0.002 5.161
115 2HG GLN 16 1HG GLN 16 -3.226 -1.278 5.136
116 1HE2 GLN 16 1HE2 GLN 16 -3.369 -2.945 6.725
117 2HE2 GLN 16 2HE2 GLN 16 -4.617 -3.022 7.873
118 H CYS 17 H CYS 17 -0.442 1.258 4.268
119 HA CYS 17 HA CYS 17 1.284 2.838 6.108
120 1HB CYS 17 2HB CYS 17 2.084 0.646 5.597
121 2HB CYS 17 1HB CYS 17 1.702 0.823 3.886
122 H HIS 18 H HIS 18 1.209 2.410 2.553
123 HA HIS 18 HA HIS 18 2.013 5.254 2.241
124 1HB HIS 18 2HB HIS 18 2.018 2.772 0.537
125 2HB HIS 18 1HB HIS 18 2.276 4.364 -0.181
126 HD1 HIS 18 HD1 HIS 18 4.012 1.692 1.566
127 HD2 HIS 18 HD2 HIS 18 4.536 5.803 1.132
128 HE1 HIS 18 HE1 HIS 18 6.381 2.191 2.284
129 H GLY 19 H GLY 19 -0.882 3.702 2.503
130 1HA GLY 19 2HA GLY 19 -2.198 4.802 0.140
131 2HA GLY 19 1HA GLY 19 -2.998 4.032 1.512
132 H ARG 20 H ARG 20 -1.802 5.692 3.544
133 HA ARG 20 HA ARG 20 -3.639 7.889 3.595
134 1HB ARG 20 2HB ARG 20 -2.848 6.954 5.637
135 2HB ARG 20 1HB ARG 20 -1.164 7.115 5.137
136 1HG ARG 20 2HG ARG 20 -1.055 9.220 5.929
137 2HG ARG 20 1HG ARG 20 -2.514 9.682 5.056
138 1HD ARG 20 2HD ARG 20 -3.914 9.169 6.857
139 2HD ARG 20 1HD ARG 20 -2.754 8.020 7.557
140 HE ARG 20 HE ARG 20 -1.947 10.875 7.406
141 1HH1 ARG 20 1HH2 ARG 20 -1.406 8.065 9.036
142 2HH1 ARG 20 2HH2 ARG 20 -1.561 8.718 10.631
143 1HH2 ARG 20 1HH1 ARG 20 -2.815 11.765 9.544
144 2HH2 ARG 20 2HH1 ARG 20 -2.363 10.815 10.921
145 H LEU 21 H LEU 21 -0.340 8.735 4.243
146 HA LEU 21 HA LEU 21 0.021 10.211 1.723
147 1HB LEU 21 2HB LEU 21 -1.506 11.391 3.621
148 2HB LEU 21 1HB LEU 21 0.089 11.921 4.157
149 HG LEU 21 HG LEU 21 -0.689 13.585 2.613
150 1HD1 LEU 21 1HD1 LEU 21 1.083 11.744 0.986
151 2HD1 LEU 21 2HD1 LEU 21 1.685 12.706 2.337
152 3HD1 LEU 21 3HD1 LEU 21 1.013 13.505 0.915
153 1HD2 LEU 21 1HD2 LEU 21 -1.182 12.645 0.181
154 2HD2 LEU 21 2HD2 LEU 21 -2.451 12.659 1.407
155 3HD2 LEU 21 3HD2 LEU 21 -1.570 11.170 1.068
156 H GLN 22 HN GLN 22 1.673 8.254 2.654
157 HA GLN 22 HA GLN 22 3.885 7.792 3.379
158 1HB GLN 22 2HB GLN 22 3.739 10.288 1.825
159 2HB GLN 22 1HB GLN 22 5.196 10.160 2.813
160 1HG GLN 22 2HG GLN 22 4.686 7.615 1.589
161 2HG GLN 22 1HG GLN 22 4.656 8.861 0.340
162 1HE2 GLN 22 1HE2 GLN 22 6.769 6.755 1.670
163 2HE2 GLN 22 2HE2 GLN 22 8.201 7.662 1.597
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 3.305 -9.909 -2.056
2 2H GLY 1 2HT GLY 1 2.472 -8.866 -3.109
3 3H GLY 1 3HT GLY 1 3.207 -10.275 -3.709
4 1HA GLY 1 2HA GLY 1 1.555 -11.630 -3.028
5 2HA GLY 1 1HA GLY 1 1.231 -10.644 -1.601
6 H ARG 2 H ARG 2 -0.215 -8.880 -1.784
7 HA ARG 2 HA ARG 2 -2.041 -9.021 -4.103
8 1HB ARG 2 2HB ARG 2 -2.001 -7.882 -1.339
9 2HB ARG 2 1HB ARG 2 -3.110 -7.160 -2.505
10 1HG ARG 2 2HG ARG 2 -4.110 -9.054 -1.175
11 2HG ARG 2 1HG ARG 2 -4.172 -9.287 -2.922
12 1HD ARG 2 2HD ARG 2 -3.406 -11.370 -1.951
13 2HD ARG 2 1HD ARG 2 -1.989 -10.604 -2.696
14 HE ARG 2 HE ARG 2 -2.328 -9.711 0.031
15 1HH1 ARG 2 1HH1 ARG 2 -1.232 -12.303 -1.971
16 2HH1 ARG 2 2HH1 ARG 2 -0.111 -12.906 -0.797
17 1HH2 ARG 2 1HH2 ARG 2 -0.882 -10.499 1.574
18 2HH2 ARG 2 2HH2 ARG 2 0.086 -11.888 1.208
19 H ASN 3 H ASN 3 -1.756 -5.908 -2.612
20 HA ASN 3 HA ASN 3 -0.129 -4.912 -4.925
21 1HB ASN 3 2HB ASN 3 -2.202 -3.086 -3.960
22 2HB ASN 3 1HB ASN 3 -1.782 -3.523 -5.613
23 1HD2 ASN 3 1HD2 ASN 3 -3.484 -4.940 -2.760
24 2HD2 ASN 3 2HD2 ASN 3 -4.622 -5.798 -3.680
25 H ASP 4 H ASP 4 0.864 -5.339 -2.278
26 HA ASP 4 HA ASP 4 0.953 -2.547 -1.209
27 1HB ASP 4 2HB ASP 4 1.440 -5.269 0.009
28 2HB ASP 4 1HB ASP 4 1.811 -3.772 0.855
29 HA PRO 5 HA PRO 5 4.920 -3.570 -3.446
30 1HB PRO 5 2HB PRO 5 5.079 -1.095 -4.641
31 2HB PRO 5 1HB PRO 5 4.189 -2.456 -5.336
32 1HG PRO 5 2HG PRO 5 3.133 -0.229 -3.636
33 2HG PRO 5 1HG PRO 5 2.519 -0.819 -5.185
34 1HD PRO 5 2HD PRO 5 1.351 -1.618 -2.966
35 2HD PRO 5 1HD PRO 5 1.702 -2.803 -4.247
36 H CYS 6 H CYS 6 5.496 -0.234 -3.299
37 HA CYS 6 HA CYS 6 7.169 0.850 -2.034
38 1HB CYS 6 2HB CYS 6 6.052 1.547 0.010
39 2HB CYS 6 1HB CYS 6 4.848 1.300 -1.224
40 HA PRO 7 HA PRO 7 9.459 -2.025 0.498
41 1HB PRO 7 2HB PRO 7 9.820 -1.073 3.011
42 2HB PRO 7 1HB PRO 7 10.520 -0.282 1.586
43 1HG PRO 7 2HG PRO 7 8.364 0.590 3.300
44 2HG PRO 7 1HG PRO 7 9.290 1.505 2.111
45 1HD PRO 7 2HD PRO 7 6.650 0.318 1.861
46 2HD PRO 7 1HD PRO 7 7.500 1.424 0.758
47 H CYS 8 H CYS 8 6.389 -2.157 0.824
48 HA CYS 8 HA CYS 8 6.214 -3.578 3.398
49 1HB CYS 8 2HB CYS 8 4.198 -2.607 1.374
50 2HB CYS 8 1HB CYS 8 3.741 -3.565 2.776
51 H GLY 9 H GLY 9 5.425 -4.126 -0.052
52 1HA GLY 9 2HA GLY 9 5.205 -6.122 -1.272
53 2HA GLY 9 1HA GLY 9 6.453 -6.755 -0.198
54 H SER 10 H SER 10 2.924 -6.224 -0.404
55 HA SER 10 HA SER 10 2.366 -8.810 0.733
56 1HB SER 10 2HB SER 10 1.734 -8.062 2.912
57 2HB SER 10 1HB SER 10 3.334 -7.410 2.612
58 HG SER 10 HG SER 10 2.512 -5.451 2.509
59 H GLY 11 H GLY 11 0.067 -7.114 2.165
60 1HA GLY 11 2HA GLY 11 -1.512 -6.228 -0.144
61 2HA GLY 11 1HA GLY 11 -2.131 -7.657 0.684
62 H LYS 12 H LYS 12 -3.258 -4.867 0.528
63 HA LYS 12 HA LYS 12 -4.450 -3.458 2.000
64 1HB LYS 12 2HB LYS 12 -3.913 -5.959 3.450
65 2HB LYS 12 1HB LYS 12 -4.226 -4.575 4.496
66 1HG LYS 12 2HG LYS 12 -6.009 -5.175 2.140
67 2HG LYS 12 1HG LYS 12 -6.262 -5.965 3.696
68 1HD LYS 12 2HD LYS 12 -6.170 -2.966 3.247
69 2HD LYS 12 1HD LYS 12 -7.634 -3.916 3.502
70 1HE LYS 12 2HE LYS 12 -6.496 -4.708 5.703
71 2HE LYS 12 1HE LYS 12 -5.423 -3.314 5.468
72 1HZ LYS 12 1HZ LYS 12 -7.165 -1.832 5.571
73 2HZ LYS 12 2HZ LYS 12 -7.662 -2.988 6.710
74 3HZ LYS 12 3HZ LYS 12 -8.332 -2.988 5.148
75 H LYS 13 H LYS 13 -1.711 -4.711 3.826
76 HA LYS 13 HA LYS 13 -0.903 -2.830 5.520
77 1HB LYS 13 2HB LYS 13 0.526 -4.655 5.123
78 2HB LYS 13 1HB LYS 13 0.645 -4.278 3.405
79 1HG LYS 13 2HG LYS 13 2.720 -3.635 4.474
80 2HG LYS 13 1HG LYS 13 1.861 -2.171 4.009
81 1HD LYS 13 2HD LYS 13 2.614 -1.798 6.246
82 2HD LYS 13 1HD LYS 13 0.890 -2.147 6.370
83 1HE LYS 13 2HE LYS 13 1.256 -4.081 7.524
84 2HE LYS 13 1HE LYS 13 2.614 -4.545 6.480
85 1HZ LYS 13 1HZ LYS 13 2.980 -3.687 8.951
86 2HZ LYS 13 2HZ LYS 13 2.969 -2.184 8.158
87 3HZ LYS 13 3HZ LYS 13 4.095 -3.376 7.711
88 H TYR 14 H TYR 14 0.318 -2.511 2.262
89 HA TYR 14 HA TYR 14 1.376 -0.012 2.208
90 1HB TYR 14 2HB TYR 14 1.024 -1.673 0.368
91 2HB TYR 14 1HB TYR 14 -0.613 -1.048 0.187
92 HD1 TYR 14 HD1 TYR 14 -0.688 1.677 0.120
93 HD2 TYR 14 HD2 TYR 14 2.646 -0.769 -1.042
94 HE1 TYR 14 HE1 TYR 14 0.197 3.530 -1.258
95 HE2 TYR 14 HE2 TYR 14 3.523 1.085 -2.424
96 HH TYR 14 HH TYR 14 3.084 3.910 -2.193
97 H LYS 15 H LYS 15 -2.159 -0.562 1.710
98 HA LYS 15 HA LYS 15 -2.921 2.114 1.531
99 1HB LYS 15 2HB LYS 15 -5.039 1.262 1.710
100 2HB LYS 15 1HB LYS 15 -4.183 -0.267 1.553
101 1HG LYS 15 2HG LYS 15 -4.392 -0.763 3.810
102 2HG LYS 15 1HG LYS 15 -4.572 0.919 4.284
103 1HD LYS 15 2HD LYS 15 -6.659 -0.161 2.474
104 2HD LYS 15 1HD LYS 15 -6.672 -0.750 4.138
105 1HE LYS 15 2HE LYS 15 -6.859 1.488 5.019
106 2HE LYS 15 1HE LYS 15 -6.552 2.199 3.423
107 1HZ LYS 15 1HZ LYS 15 -8.889 2.169 3.703
108 2HZ LYS 15 2HZ LYS 15 -8.881 0.563 4.257
109 3HZ LYS 15 3HZ LYS 15 -8.527 0.905 2.631
110 H GLN 16 H GLN 16 -2.343 0.172 4.447
111 HA GLN 16 HA GLN 16 -2.902 2.378 6.287
112 1HB GLN 16 2HB GLN 16 -1.288 -0.100 6.894
113 2HB GLN 16 1HB GLN 16 -2.406 0.764 7.944
114 1HG GLN 16 2HG GLN 16 -3.953 -0.023 5.739
115 2HG GLN 16 1HG GLN 16 -2.940 -1.416 6.108
116 1HE2 GLN 16 1HE2 GLN 16 -4.349 1.063 8.312
117 2HE2 GLN 16 2HE2 GLN 16 -5.180 -0.058 9.279
118 H CYS 17 H CYS 17 -0.188 1.347 4.403
119 HA CYS 17 HA CYS 17 1.718 2.876 6.126
120 1HB CYS 17 2HB CYS 17 2.352 0.601 5.593
121 2HB CYS 17 1HB CYS 17 2.020 0.858 3.880
122 H HIS 18 H HIS 18 1.293 2.385 2.597
123 HA HIS 18 HA HIS 18 2.064 5.245 2.213
124 1HB HIS 18 2HB HIS 18 2.264 2.734 0.556
125 2HB HIS 18 1HB HIS 18 2.532 4.333 -0.141
126 HD1 HIS 18 HD1 HIS 18 5.042 3.116 -0.388
127 HD2 HIS 18 HD2 HIS 18 3.873 4.397 3.401
128 HE1 HIS 18 HE1 HIS 18 7.156 3.275 0.998
129 H GLY 19 H GLY 19 -0.718 3.619 2.530
130 1HA GLY 19 2HA GLY 19 -2.153 4.216 0.111
131 2HA GLY 19 1HA GLY 19 -2.887 3.893 1.679
132 H ARG 20 H ARG 20 -1.004 6.200 2.648
133 HA ARG 20 HA ARG 20 -1.295 8.501 3.091
134 1HB ARG 20 2HB ARG 20 -0.736 8.544 0.678
135 2HB ARG 20 1HB ARG 20 -2.444 8.344 0.283
136 1HG ARG 20 2HG ARG 20 -2.208 10.509 2.137
137 2HG ARG 20 1HG ARG 20 -1.045 10.768 0.837
138 1HD ARG 20 2HD ARG 20 -3.676 9.835 -0.111
139 2HD ARG 20 1HD ARG 20 -3.709 11.430 0.667
140 HE ARG 20 HE ARG 20 -2.246 12.256 -1.035
141 1HH1 ARG 20 1HH1 ARG 20 -3.765 10.637 -2.950
142 2HH1 ARG 20 2HH1 ARG 20 -2.547 9.669 -3.708
143 1HH2 ARG 20 1HH2 ARG 20 -0.187 10.224 -1.227
144 2HH2 ARG 20 2HH2 ARG 20 -0.519 9.434 -2.732
145 H LEU 21 H LEU 21 -2.871 8.641 4.700
146 HA LEU 21 HA LEU 21 -5.722 8.214 4.032
147 1HB LEU 21 2HB LEU 21 -4.365 9.028 6.622
148 2HB LEU 21 1HB LEU 21 -5.986 8.357 6.450
149 HG LEU 21 HG LEU 21 -4.215 6.566 5.138
150 1HD1 LEU 21 1HD1 LEU 21 -2.296 7.272 6.291
151 2HD1 LEU 21 2HD1 LEU 21 -2.902 5.975 7.320
152 3HD1 LEU 21 3HD1 LEU 21 -3.201 7.658 7.755
153 1HD2 LEU 21 1HD2 LEU 21 -5.165 5.944 7.881
154 2HD2 LEU 21 2HD2 LEU 21 -5.396 5.046 6.379
155 3HD2 LEU 21 3HD2 LEU 21 -6.410 6.445 6.736
156 H GLN 22 HN GLN 22 -5.548 10.226 2.527
157 HA GLN 22 HA GLN 22 -6.321 12.634 4.119
158 1HB GLN 22 2HB GLN 22 -3.992 12.208 2.347
159 2HB GLN 22 1HB GLN 22 -4.885 13.698 2.040
160 1HG GLN 22 2HG GLN 22 -3.839 12.816 4.747
161 2HG GLN 22 1HG GLN 22 -3.094 14.043 3.718
162 1HE2 GLN 22 1HE2 GLN 22 -5.572 15.273 2.796
163 2HE2 GLN 22 2HE2 GLN 22 -6.266 16.069 4.124
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 -1.442 -12.054 -0.948
2 2H GLY 1 2HT GLY 1 -0.421 -11.517 -2.196
3 3H GLY 1 3HT GLY 1 -2.101 -11.582 -2.438
4 1HA GLY 1 2HA GLY 1 -2.057 -9.987 -0.335
5 2HA GLY 1 1HA GLY 1 -0.494 -9.591 -1.050
6 H ARG 2 H ARG 2 -2.555 -7.696 -0.994
7 HA ARG 2 HA ARG 2 -3.916 -7.689 -3.602
8 1HB ARG 2 2HB ARG 2 -3.684 -5.661 -1.352
9 2HB ARG 2 1HB ARG 2 -4.804 -5.541 -2.710
10 1HG ARG 2 2HG ARG 2 -4.743 -7.930 -0.854
11 2HG ARG 2 1HG ARG 2 -5.770 -6.525 -0.563
12 1HD ARG 2 2HD ARG 2 -6.793 -6.846 -2.826
13 2HD ARG 2 1HD ARG 2 -5.835 -8.331 -3.005
14 HE ARG 2 HE ARG 2 -6.995 -9.208 -0.981
15 1HH1 ARG 2 1HH1 ARG 2 -7.977 -6.057 -1.098
16 2HH1 ARG 2 2HH1 ARG 2 -9.680 -6.376 -1.074
17 1HH2 ARG 2 1HH2 ARG 2 -9.317 -9.788 -1.559
18 2HH2 ARG 2 2HH2 ARG 2 -10.439 -8.488 -1.334
19 H ASN 3 H ASN 3 -2.604 -4.667 -2.487
20 HA ASN 3 HA ASN 3 -0.470 -4.750 -4.587
21 1HB ASN 3 2HB ASN 3 -1.932 -2.202 -4.296
22 2HB ASN 3 1HB ASN 3 -1.405 -3.026 -5.759
23 1HD2 ASN 3 1HD2 ASN 3 -3.969 -3.149 -3.238
24 2HD2 ASN 3 2HD2 ASN 3 -5.140 -3.850 -4.250
25 H ASP 4 H ASP 4 0.613 -5.042 -2.267
26 HA ASP 4 HA ASP 4 1.038 -2.324 -1.094
27 1HB ASP 4 2HB ASP 4 1.492 -5.108 0.003
28 2HB ASP 4 1HB ASP 4 1.777 -3.619 0.896
29 HA PRO 5 HA PRO 5 4.849 -3.529 -3.508
30 1HB PRO 5 2HB PRO 5 5.119 -1.066 -4.690
31 2HB PRO 5 1HB PRO 5 4.105 -2.352 -5.361
32 1HG PRO 5 2HG PRO 5 3.290 -0.047 -3.629
33 2HG PRO 5 1HG PRO 5 2.553 -0.618 -5.133
34 1HD PRO 5 2HD PRO 5 1.491 -1.281 -2.798
35 2HD PRO 5 1HD PRO 5 1.584 -2.470 -4.114
36 H CYS 6 H CYS 6 5.605 -0.225 -3.365
37 HA CYS 6 HA CYS 6 7.375 0.774 -2.150
38 1HB CYS 6 2HB CYS 6 6.318 1.539 -0.099
39 2HB CYS 6 1HB CYS 6 5.083 1.325 -1.303
40 HA PRO 7 HA PRO 7 9.582 -2.164 0.381
41 1HB PRO 7 2HB PRO 7 10.040 -1.159 2.861
42 2HB PRO 7 1HB PRO 7 10.743 -0.444 1.398
43 1HG PRO 7 2HG PRO 7 8.680 0.586 3.132
44 2HG PRO 7 1HG PRO 7 9.600 1.412 1.874
45 1HD PRO 7 2HD PRO 7 6.910 0.303 1.762
46 2HD PRO 7 1HD PRO 7 7.749 1.361 0.607
47 H CYS 8 H CYS 8 6.520 -2.171 0.771
48 HA CYS 8 HA CYS 8 6.362 -3.545 3.377
49 1HB CYS 8 2HB CYS 8 4.311 -2.534 1.400
50 2HB CYS 8 1HB CYS 8 3.877 -3.426 2.854
51 H GLY 9 H GLY 9 5.683 -4.071 -0.076
52 1HA GLY 9 2HA GLY 9 5.282 -6.050 -1.284
53 2HA GLY 9 1HA GLY 9 6.549 -6.714 -0.253
54 H SER 10 H SER 10 3.032 -6.065 -0.281
55 HA SER 10 HA SER 10 2.482 -8.685 0.816
56 1HB SER 10 2HB SER 10 1.811 -7.909 2.988
57 2HB SER 10 1HB SER 10 3.437 -7.314 2.706
58 HG SER 10 HG SER 10 2.681 -5.359 2.794
59 H GLY 11 H GLY 11 0.144 -7.218 2.234
60 1HA GLY 11 2HA GLY 11 -1.428 -6.269 -0.080
61 2HA GLY 11 1HA GLY 11 -2.031 -7.688 0.780
62 H LYS 12 H LYS 12 -3.096 -4.849 0.558
63 HA LYS 12 HA LYS 12 -4.290 -3.412 1.993
64 1HB LYS 12 2HB LYS 12 -3.883 -5.933 3.437
65 2HB LYS 12 1HB LYS 12 -4.170 -4.549 4.491
66 1HG LYS 12 2HG LYS 12 -6.329 -4.330 3.817
67 2HG LYS 12 1HG LYS 12 -5.937 -4.672 2.132
68 1HD LYS 12 2HD LYS 12 -7.347 -6.460 3.052
69 2HD LYS 12 1HD LYS 12 -5.738 -7.082 2.684
70 1HE LYS 12 2HE LYS 12 -6.276 -7.923 4.869
71 2HE LYS 12 1HE LYS 12 -5.158 -6.573 5.148
72 1HZ LYS 12 1HZ LYS 12 -6.750 -5.502 6.244
73 2HZ LYS 12 2HZ LYS 12 -7.809 -6.811 6.021
74 3HZ LYS 12 3HZ LYS 12 -7.763 -5.550 4.883
75 H LYS 13 H LYS 13 -1.597 -4.728 3.862
76 HA LYS 13 HA LYS 13 -0.852 -2.854 5.604
77 1HB LYS 13 2HB LYS 13 0.521 -4.769 5.168
78 2HB LYS 13 1HB LYS 13 0.865 -4.204 3.534
79 1HG LYS 13 2HG LYS 13 2.785 -3.462 4.544
80 2HG LYS 13 1HG LYS 13 1.767 -2.074 4.911
81 1HD LYS 13 2HD LYS 13 1.124 -3.677 6.998
82 2HD LYS 13 1HD LYS 13 2.780 -4.211 6.710
83 1HE LYS 13 2HE LYS 13 3.039 -1.468 6.545
84 2HE LYS 13 1HE LYS 13 1.820 -1.660 7.821
85 1HZ LYS 13 1HZ LYS 13 4.369 -3.184 7.678
86 2HZ LYS 13 2HZ LYS 13 3.220 -3.248 8.928
87 3HZ LYS 13 3HZ LYS 13 4.120 -1.832 8.670
88 H TYR 14 H TYR 14 0.162 -2.518 2.261
89 HA TYR 14 HA TYR 14 1.278 0.035 2.343
90 1HB TYR 14 2HB TYR 14 1.104 -1.627 0.486
91 2HB TYR 14 1HB TYR 14 -0.550 -1.082 0.222
92 HD1 TYR 14 HD1 TYR 14 -0.694 1.678 0.236
93 HD2 TYR 14 HD2 TYR 14 2.701 -0.679 -0.937
94 HE1 TYR 14 HE1 TYR 14 0.169 3.579 -1.084
95 HE2 TYR 14 HE2 TYR 14 3.554 1.225 -2.267
96 HH TYR 14 HH TYR 14 2.541 4.322 -1.907
97 H LYS 15 H LYS 15 -2.166 -0.733 1.649
98 HA LYS 15 HA LYS 15 -3.221 1.827 1.432
99 1HB LYS 15 2HB LYS 15 -4.106 -0.839 2.120
100 2HB LYS 15 1HB LYS 15 -4.984 0.347 3.089
101 1HG LYS 15 2HG LYS 15 -4.630 0.895 0.169
102 2HG LYS 15 1HG LYS 15 -5.820 -0.314 0.652
103 1HD LYS 15 2HD LYS 15 -6.935 1.300 2.100
104 2HD LYS 15 1HD LYS 15 -5.702 2.512 1.745
105 1HE LYS 15 2HE LYS 15 -6.411 2.732 -0.520
106 2HE LYS 15 1HE LYS 15 -7.373 1.242 -0.442
107 1HZ LYS 15 1HZ LYS 15 -8.336 3.726 0.050
108 2HZ LYS 15 2HZ LYS 15 -8.015 3.154 1.617
109 3HZ LYS 15 3HZ LYS 15 -9.049 2.284 0.587
110 H GLN 16 H GLN 16 -2.563 0.034 4.438
111 HA GLN 16 HA GLN 16 -3.272 2.319 6.140
112 1HB GLN 16 2HB GLN 16 -1.833 -0.251 6.857
113 2HB GLN 16 1HB GLN 16 -2.838 0.748 7.907
114 1HG GLN 16 2HG GLN 16 -3.814 -0.801 5.483
115 2HG GLN 16 1HG GLN 16 -4.076 -1.252 7.167
116 1HE2 GLN 16 1HE2 GLN 16 -5.885 -0.354 8.199
117 2HE2 GLN 16 2HE2 GLN 16 -6.834 0.895 7.551
118 H CYS 17 H CYS 17 -0.456 1.112 4.534
119 HA CYS 17 HA CYS 17 1.415 2.599 6.304
120 1HB CYS 17 2HB CYS 17 2.151 0.422 5.663
121 2HB CYS 17 1HB CYS 17 1.633 0.655 4.000
122 H HIS 18 H HIS 18 1.169 2.298 2.748
123 HA HIS 18 HA HIS 18 1.786 5.211 2.527
124 1HB HIS 18 2HB HIS 18 2.166 2.791 0.776
125 2HB HIS 18 1HB HIS 18 2.345 4.425 0.139
126 HD1 HIS 18 HD1 HIS 18 4.630 2.187 0.671
127 HD2 HIS 18 HD2 HIS 18 3.914 5.613 2.916
128 HE1 HIS 18 HE1 HIS 18 6.809 2.740 1.827
129 H GLY 19 H GLY 19 -0.914 3.369 2.618
130 1HA GLY 19 2HA GLY 19 -2.287 3.998 0.194
131 2HA GLY 19 1HA GLY 19 -3.072 3.636 1.732
132 H ARG 20 H ARG 20 -1.472 5.914 2.968
133 HA ARG 20 HA ARG 20 -3.474 7.975 2.669
134 1HB ARG 20 2HB ARG 20 -2.107 9.118 4.278
135 2HB ARG 20 1HB ARG 20 -1.954 7.402 4.654
136 1HG ARG 20 2HG ARG 20 0.053 7.735 2.816
137 2HG ARG 20 1HG ARG 20 0.075 9.290 3.647
138 1HD ARG 20 2HD ARG 20 0.299 6.547 4.935
139 2HD ARG 20 1HD ARG 20 1.553 7.802 4.866
140 HE ARG 20 HE ARG 20 -0.021 9.241 6.223
141 1HH1 ARG 20 1HH2 ARG 20 0.996 6.890 7.850
142 2HH1 ARG 20 2HH2 ARG 20 -0.468 6.316 8.573
143 1HH2 ARG 20 1HH1 ARG 20 -2.536 8.045 6.389
144 2HH2 ARG 20 2HH1 ARG 20 -2.470 6.974 7.750
145 H LEU 21 H LEU 21 -1.307 10.111 2.702
146 HA LEU 21 HA LEU 21 -1.410 10.848 -0.076
147 1HB LEU 21 2HB LEU 21 -0.686 11.929 2.444
148 2HB LEU 21 1HB LEU 21 0.728 12.107 1.404
149 HG LEU 21 HG LEU 21 -1.565 12.768 -0.151
150 1HD1 LEU 21 1HD1 LEU 21 -1.702 14.885 1.741
151 2HD1 LEU 21 2HD1 LEU 21 -1.917 13.379 2.634
152 3HD1 LEU 21 3HD1 LEU 21 -2.983 13.763 1.284
153 1HD2 LEU 21 1HD2 LEU 21 0.298 13.931 -0.801
154 2HD2 LEU 21 2HD2 LEU 21 0.939 14.018 0.839
155 3HD2 LEU 21 3HD2 LEU 21 -0.325 15.136 0.326
156 H GLN 22 HN GLN 22 -0.502 8.575 -0.745
157 HA GLN 22 HA GLN 22 1.283 7.347 -1.697
158 1HB GLN 22 2HB GLN 22 2.211 10.216 -1.618
159 2HB GLN 22 1HB GLN 22 3.262 8.954 -2.261
160 1HG GLN 22 2HG GLN 22 0.619 8.614 -3.341
161 2HG GLN 22 1HG GLN 22 1.137 10.281 -3.594
162 1HE2 GLN 22 1HE2 GLN 22 1.130 7.435 -5.194
163 2HE2 GLN 22 2HE2 GLN 22 2.587 7.560 -6.058
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 -3.417 -10.909 -0.510
2 2H GLY 1 2HT GLY 1 -3.006 -10.202 0.978
3 3H GLY 1 3HT GLY 1 -2.212 -11.611 0.454
4 1HA GLY 1 2HA GLY 1 -1.421 -8.992 0.055
5 2HA GLY 1 1HA GLY 1 -0.695 -10.445 -0.628
6 H ARG 2 H ARG 2 -1.757 -7.553 -1.585
7 HA ARG 2 HA ARG 2 -2.624 -8.610 -4.248
8 1HB ARG 2 2HB ARG 2 -4.050 -6.935 -2.312
9 2HB ARG 2 1HB ARG 2 -4.002 -6.238 -3.925
10 1HG ARG 2 2HG ARG 2 -4.736 -9.135 -3.525
11 2HG ARG 2 1HG ARG 2 -5.949 -7.863 -3.383
12 1HD ARG 2 2HD ARG 2 -5.933 -7.414 -5.637
13 2HD ARG 2 1HD ARG 2 -4.191 -7.719 -5.783
14 HE ARG 2 HE ARG 2 -5.029 -10.215 -5.273
15 1HH1 ARG 2 1HH1 ARG 2 -7.725 -8.729 -6.160
16 2HH1 ARG 2 2HH1 ARG 2 -7.882 -9.412 -7.744
17 1HH2 ARG 2 1HH2 ARG 2 -4.663 -10.690 -7.809
18 2HH2 ARG 2 2HH2 ARG 2 -6.157 -10.524 -8.671
19 H ASN 3 H ASN 3 -2.347 -5.274 -2.994
20 HA ASN 3 HA ASN 3 -0.078 -4.908 -4.904
21 1HB ASN 3 2HB ASN 3 -1.810 -2.578 -4.436
22 2HB ASN 3 1HB ASN 3 -1.160 -3.205 -5.947
23 1HD2 ASN 3 1HD2 ASN 3 -2.309 -5.182 -6.868
24 2HD2 ASN 3 2HD2 ASN 3 -3.972 -5.351 -6.580
25 H ASP 4 H ASP 4 0.827 -5.292 -2.402
26 HA ASP 4 HA ASP 4 1.058 -2.549 -1.208
27 1HB ASP 4 2HB ASP 4 1.385 -5.348 -0.141
28 2HB ASP 4 1HB ASP 4 1.911 -3.943 0.774
29 HA PRO 5 HA PRO 5 4.990 -3.672 -3.482
30 1HB PRO 5 2HB PRO 5 5.271 -1.202 -4.646
31 2HB PRO 5 1HB PRO 5 4.299 -2.499 -5.352
32 1HG PRO 5 2HG PRO 5 3.392 -0.217 -3.641
33 2HG PRO 5 1HG PRO 5 2.720 -0.787 -5.175
34 1HD PRO 5 2HD PRO 5 1.578 -1.478 -2.890
35 2HD PRO 5 1HD PRO 5 1.751 -2.663 -4.205
36 H CYS 6 H CYS 6 5.758 -0.389 -3.322
37 HA CYS 6 HA CYS 6 7.497 0.603 -2.063
38 1HB CYS 6 2HB CYS 6 6.400 1.392 -0.033
39 2HB CYS 6 1HB CYS 6 5.196 1.207 -1.273
40 HA PRO 7 HA PRO 7 9.558 -2.383 0.534
41 1HB PRO 7 2HB PRO 7 9.981 -1.393 3.024
42 2HB PRO 7 1HB PRO 7 10.738 -0.694 1.581
43 1HG PRO 7 2HG PRO 7 8.654 0.386 3.262
44 2HG PRO 7 1HG PRO 7 9.635 1.191 2.036
45 1HD PRO 7 2HD PRO 7 6.918 0.165 1.836
46 2HD PRO 7 1HD PRO 7 7.828 1.195 0.707
47 H CYS 8 H CYS 8 6.502 -2.354 0.801
48 HA CYS 8 HA CYS 8 6.201 -3.664 3.427
49 1HB CYS 8 2HB CYS 8 4.288 -2.640 1.331
50 2HB CYS 8 1HB CYS 8 3.739 -3.557 2.726
51 H GLY 9 H GLY 9 5.469 -4.288 -0.030
52 1HA GLY 9 2HA GLY 9 5.138 -6.320 -1.171
53 2HA GLY 9 1HA GLY 9 6.362 -6.962 -0.076
54 H SER 10 H SER 10 2.860 -6.332 -0.327
55 HA SER 10 HA SER 10 2.187 -8.847 0.877
56 1HB SER 10 2HB SER 10 1.643 -8.078 3.039
57 2HB SER 10 1HB SER 10 3.211 -7.363 2.709
58 HG SER 10 HG SER 10 2.309 -5.467 2.763
59 H GLY 11 H GLY 11 -0.069 -7.127 2.263
60 1HA GLY 11 2HA GLY 11 -1.579 -6.209 -0.099
61 2HA GLY 11 1HA GLY 11 -2.278 -7.542 0.820
62 H LYS 12 H LYS 12 -3.087 -4.616 0.450
63 HA LYS 12 HA LYS 12 -4.213 -3.042 1.800
64 1HB LYS 12 2HB LYS 12 -3.694 -5.015 4.023
65 2HB LYS 12 1HB LYS 12 -5.012 -3.850 3.912
66 1HG LYS 12 2HG LYS 12 -6.031 -5.030 2.101
67 2HG LYS 12 1HG LYS 12 -4.609 -6.048 1.873
68 1HD LYS 12 2HD LYS 12 -6.064 -6.038 4.506
69 2HD LYS 12 1HD LYS 12 -6.642 -7.033 3.168
70 1HE LYS 12 2HE LYS 12 -4.876 -8.487 3.322
71 2HE LYS 12 1HE LYS 12 -3.726 -7.196 3.724
72 1HZ LYS 12 1HZ LYS 12 -5.853 -7.673 5.649
73 2HZ LYS 12 2HZ LYS 12 -4.216 -7.298 5.910
74 3HZ LYS 12 3HZ LYS 12 -4.676 -8.890 5.538
75 H LYS 13 H LYS 13 -1.675 -4.492 3.775
76 HA LYS 13 HA LYS 13 -0.800 -2.677 5.494
77 1HB LYS 13 2HB LYS 13 0.459 -4.666 5.025
78 2HB LYS 13 1HB LYS 13 0.827 -4.097 3.397
79 1HG LYS 13 2HG LYS 13 2.794 -3.534 4.463
80 2HG LYS 13 1HG LYS 13 1.885 -2.050 4.725
81 1HD LYS 13 2HD LYS 13 1.594 -2.458 6.964
82 2HD LYS 13 1HD LYS 13 1.509 -4.206 6.740
83 1HE LYS 13 2HE LYS 13 3.945 -4.305 6.392
84 2HE LYS 13 1HE LYS 13 4.050 -2.542 6.569
85 1HZ LYS 13 1HZ LYS 13 4.478 -3.621 8.686
86 2HZ LYS 13 2HZ LYS 13 2.995 -4.444 8.598
87 3HZ LYS 13 3HZ LYS 13 3.023 -2.753 8.761
88 H TYR 14 H TYR 14 0.188 -2.388 2.147
89 HA TYR 14 HA TYR 14 1.473 0.082 2.179
90 1HB TYR 14 2HB TYR 14 1.102 -1.588 0.336
91 2HB TYR 14 1HB TYR 14 -0.507 -0.905 0.130
92 HD1 TYR 14 HD1 TYR 14 2.813 -0.729 -1.007
93 HD2 TYR 14 HD2 TYR 14 -0.516 1.792 0.005
94 HE1 TYR 14 HE1 TYR 14 3.769 1.090 -2.387
95 HE2 TYR 14 HE2 TYR 14 0.445 3.609 -1.373
96 HH TYR 14 HH TYR 14 3.651 3.423 -2.702
97 H LYS 15 H LYS 15 -2.040 -0.462 1.658
98 HA LYS 15 HA LYS 15 -2.942 2.155 1.417
99 1HB LYS 15 2HB LYS 15 -4.197 0.019 3.171
100 2HB LYS 15 1HB LYS 15 -5.036 1.311 2.317
101 1HG LYS 15 2HG LYS 15 -3.683 -1.126 1.156
102 2HG LYS 15 1HG LYS 15 -5.352 -0.601 0.954
103 1HD LYS 15 2HD LYS 15 -4.045 1.571 -0.023
104 2HD LYS 15 1HD LYS 15 -2.912 0.293 -0.465
105 1HE LYS 15 2HE LYS 15 -4.270 -0.348 -2.159
106 2HE LYS 15 1HE LYS 15 -5.611 -0.581 -1.021
107 1HZ LYS 15 1HZ LYS 15 -4.749 2.111 -1.898
108 2HZ LYS 15 2HZ LYS 15 -6.210 1.663 -1.154
109 3HZ LYS 15 3HZ LYS 15 -5.903 1.224 -2.765
110 H GLN 16 H GLN 16 -2.314 0.392 4.455
111 HA GLN 16 HA GLN 16 -2.827 2.713 6.149
112 1HB GLN 16 2HB GLN 16 -1.322 0.159 6.793
113 2HB GLN 16 1HB GLN 16 -2.210 1.189 7.914
114 1HG GLN 16 2HG GLN 16 -3.467 -0.364 5.629
115 2HG GLN 16 1HG GLN 16 -3.475 -0.869 7.317
116 1HE2 GLN 16 1HE2 GLN 16 -5.941 -0.408 6.037
117 2HE2 GLN 16 2HE2 GLN 16 -6.647 1.002 6.664
118 H CYS 17 H CYS 17 -0.185 1.629 4.273
119 HA CYS 17 HA CYS 17 1.811 3.106 5.928
120 1HB CYS 17 2HB CYS 17 2.349 0.816 5.345
121 2HB CYS 17 1HB CYS 17 1.967 1.112 3.651
122 H HIS 18 H HIS 18 1.420 2.593 2.417
123 HA HIS 18 HA HIS 18 2.150 5.458 2.004
124 1HB HIS 18 2HB HIS 18 2.445 2.916 0.425
125 2HB HIS 18 1HB HIS 18 2.717 4.495 -0.311
126 HD1 HIS 18 HD1 HIS 18 4.670 1.955 0.885
127 HD2 HIS 18 HD2 HIS 18 4.519 5.984 1.924
128 HE1 HIS 18 HE1 HIS 18 6.912 2.505 1.916
129 H GLY 19 H GLY 19 -0.668 3.828 2.214
130 1HA GLY 19 2HA GLY 19 -1.809 5.055 -0.261
131 2HA GLY 19 1HA GLY 19 -2.557 3.732 0.627
132 H ARG 20 H ARG 20 -1.239 6.076 2.684
133 HA ARG 20 HA ARG 20 -2.492 7.236 4.387
134 1HB ARG 20 2HB ARG 20 -3.140 9.417 3.258
135 2HB ARG 20 1HB ARG 20 -1.498 8.868 2.936
136 1HG ARG 20 2HG ARG 20 -2.486 7.749 0.827
137 2HG ARG 20 1HG ARG 20 -3.899 8.759 1.109
138 1HD ARG 20 2HD ARG 20 -1.832 10.571 1.359
139 2HD ARG 20 1HD ARG 20 -1.253 9.501 0.066
140 HE ARG 20 HE ARG 20 -3.878 10.933 0.017
141 1HH1 ARG 20 1HH1 ARG 20 -2.433 8.333 -1.458
142 2HH1 ARG 20 2HH1 ARG 20 -2.515 8.956 -3.072
143 1HH2 ARG 20 1HH2 ARG 20 -3.513 12.126 -2.079
144 2HH2 ARG 20 2HH2 ARG 20 -3.124 11.104 -3.423
145 H LEU 21 H LEU 21 -4.265 5.790 4.929
146 HA LEU 21 HA LEU 21 -6.680 5.448 3.512
147 1HB LEU 21 2HB LEU 21 -7.582 5.040 5.860
148 2HB LEU 21 1HB LEU 21 -6.120 4.138 5.458
149 HG LEU 21 HG LEU 21 -5.482 6.764 6.536
150 1HD1 LEU 21 1HD1 LEU 21 -6.170 5.867 8.925
151 2HD1 LEU 21 2HD1 LEU 21 -7.408 5.002 8.015
152 3HD1 LEU 21 3HD1 LEU 21 -7.331 6.762 7.947
153 1HD2 LEU 21 1HD2 LEU 21 -4.450 4.933 8.257
154 2HD2 LEU 21 2HD2 LEU 21 -3.705 5.328 6.708
155 3HD2 LEU 21 3HD2 LEU 21 -4.738 3.906 6.852
156 H GLN 22 HN GLN 22 -7.194 7.558 2.561
157 HA GLN 22 HA GLN 22 -8.246 9.679 2.531
158 1HB GLN 22 2HB GLN 22 -9.589 7.819 4.266
159 2HB GLN 22 1HB GLN 22 -9.754 9.440 4.937
160 1HG GLN 22 2HG GLN 22 -10.132 9.420 2.042
161 2HG GLN 22 1HG GLN 22 -11.279 8.362 2.865
162 1HE2 GLN 22 1HE2 GLN 22 -12.243 10.726 1.653
163 2HE2 GLN 22 2HE2 GLN 22 -12.707 11.825 2.861
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 -7.510 -8.430 -4.559
2 2H GLY 1 2HT GLY 1 -5.824 -8.371 -4.767
3 3H GLY 1 3HT GLY 1 -6.714 -6.933 -4.603
4 1HA GLY 1 2HA GLY 1 -6.813 -7.061 -2.379
5 2HA GLY 1 1HA GLY 1 -7.012 -8.812 -2.420
6 H ARG 2 H ARG 2 -4.400 -7.092 -4.067
7 HA ARG 2 HA ARG 2 -2.445 -7.751 -1.952
8 1HB ARG 2 2HB ARG 2 -2.946 -9.350 -4.393
9 2HB ARG 2 1HB ARG 2 -1.256 -9.029 -4.030
10 1HG ARG 2 2HG ARG 2 -2.753 -9.792 -1.643
11 2HG ARG 2 1HG ARG 2 -2.796 -11.044 -2.886
12 1HD ARG 2 2HD ARG 2 -0.252 -10.714 -3.094
13 2HD ARG 2 1HD ARG 2 -0.365 -9.814 -1.569
14 HE ARG 2 HE ARG 2 -1.461 -11.880 -0.604
15 1HH1 ARG 2 1HH1 ARG 2 1.255 -11.940 -2.571
16 2HH1 ARG 2 2HH1 ARG 2 1.270 -13.656 -2.801
17 1HH2 ARG 2 1HH2 ARG 2 -1.809 -14.153 -1.285
18 2HH2 ARG 2 2HH2 ARG 2 -0.467 -14.908 -2.076
19 H ASN 3 H ASN 3 -2.400 -5.262 -2.405
20 HA ASN 3 HA ASN 3 -0.468 -4.824 -4.647
21 1HB ASN 3 2HB ASN 3 -2.143 -2.524 -3.872
22 2HB ASN 3 1HB ASN 3 -1.714 -3.105 -5.478
23 1HD2 ASN 3 1HD2 ASN 3 -3.820 -4.090 -2.708
24 2HD2 ASN 3 2HD2 ASN 3 -5.066 -4.696 -3.689
25 H ASP 4 H ASP 4 0.672 -5.308 -2.239
26 HA ASP 4 HA ASP 4 1.056 -2.634 -0.959
27 1HB ASP 4 2HB ASP 4 1.522 -5.460 -0.071
28 2HB ASP 4 1HB ASP 4 1.972 -4.060 0.894
29 HA PRO 5 HA PRO 5 4.899 -3.670 -3.417
30 1HB PRO 5 2HB PRO 5 5.096 -1.209 -4.614
31 2HB PRO 5 1HB PRO 5 4.173 -2.554 -5.300
32 1HG PRO 5 2HG PRO 5 3.187 -0.247 -3.675
33 2HG PRO 5 1HG PRO 5 2.518 -0.933 -5.165
34 1HD PRO 5 2HD PRO 5 1.460 -1.527 -2.782
35 2HD PRO 5 1HD PRO 5 1.579 -2.750 -4.066
36 H CYS 6 H CYS 6 5.435 -0.299 -3.236
37 HA CYS 6 HA CYS 6 7.134 0.797 -1.983
38 1HB CYS 6 2HB CYS 6 6.027 1.420 0.089
39 2HB CYS 6 1HB CYS 6 4.796 1.125 -1.107
40 HA PRO 7 HA PRO 7 9.546 -2.093 0.418
41 1HB PRO 7 2HB PRO 7 9.994 -1.112 2.907
42 2HB PRO 7 1HB PRO 7 10.625 -0.326 1.447
43 1HG PRO 7 2HG PRO 7 8.533 0.538 3.239
44 2HG PRO 7 1HG PRO 7 9.390 1.450 1.995
45 1HD PRO 7 2HD PRO 7 6.761 0.203 1.880
46 2HD PRO 7 1HD PRO 7 7.534 1.323 0.735
47 H CYS 8 H CYS 8 6.514 -2.334 0.822
48 HA CYS 8 HA CYS 8 6.484 -3.731 3.422
49 1HB CYS 8 2HB CYS 8 4.323 -2.785 1.539
50 2HB CYS 8 1HB CYS 8 3.985 -3.722 2.986
51 H GLY 9 H GLY 9 5.593 -4.247 -0.004
52 1HA GLY 9 2HA GLY 9 5.266 -6.244 -1.208
53 2HA GLY 9 1HA GLY 9 6.558 -6.890 -0.192
54 H SER 10 H SER 10 3.044 -6.333 -0.258
55 HA SER 10 HA SER 10 2.502 -8.887 0.975
56 1HB SER 10 2HB SER 10 1.741 -7.891 3.102
57 2HB SER 10 1HB SER 10 3.446 -7.573 2.829
58 HG SER 10 HG SER 10 1.234 -5.850 2.661
59 H GLY 11 H GLY 11 0.164 -7.322 2.340
60 1HA GLY 11 2HA GLY 11 -1.413 -6.516 -0.030
61 2HA GLY 11 1HA GLY 11 -2.040 -7.833 0.959
62 H LYS 12 H LYS 12 -3.067 -5.018 0.500
63 HA LYS 12 HA LYS 12 -4.227 -3.448 1.820
64 1HB LYS 12 2HB LYS 12 -3.770 -5.797 3.511
65 2HB LYS 12 1HB LYS 12 -4.020 -4.306 4.419
66 1HG LYS 12 2HG LYS 12 -5.832 -5.279 2.193
67 2HG LYS 12 1HG LYS 12 -6.152 -5.513 3.911
68 1HD LYS 12 2HD LYS 12 -5.941 -2.887 2.422
69 2HD LYS 12 1HD LYS 12 -7.356 -3.542 3.248
70 1HE LYS 12 2HE LYS 12 -4.769 -2.605 4.544
71 2HE LYS 12 1HE LYS 12 -6.382 -1.886 4.724
72 1HZ LYS 12 1HZ LYS 12 -5.397 -4.485 5.707
73 2HZ LYS 12 2HZ LYS 12 -7.054 -4.264 5.402
74 3HZ LYS 12 3HZ LYS 12 -6.260 -3.288 6.544
75 H LYS 13 H LYS 13 -1.603 -4.505 3.911
76 HA LYS 13 HA LYS 13 -0.714 -2.566 5.395
77 1HB LYS 13 2HB LYS 13 1.123 -3.496 3.191
78 2HB LYS 13 1HB LYS 13 1.591 -2.969 4.798
79 1HG LYS 13 2HG LYS 13 -0.128 -5.398 4.249
80 2HG LYS 13 1HG LYS 13 1.606 -5.442 4.504
81 1HD LYS 13 2HD LYS 13 1.054 -4.096 6.687
82 2HD LYS 13 1HD LYS 13 -0.568 -4.752 6.460
83 1HE LYS 13 2HE LYS 13 0.212 -6.591 7.558
84 2HE LYS 13 1HE LYS 13 1.082 -6.963 6.056
85 1HZ LYS 13 1HZ LYS 13 2.670 -6.816 7.831
86 2HZ LYS 13 2HZ LYS 13 2.061 -5.307 8.321
87 3HZ LYS 13 3HZ LYS 13 2.866 -5.460 6.833
88 H TYR 14 H TYR 14 0.491 -2.201 2.142
89 HA TYR 14 HA TYR 14 1.305 0.391 2.047
90 1HB TYR 14 2HB TYR 14 1.150 -1.400 0.280
91 2HB TYR 14 1HB TYR 14 -0.506 -0.868 -0.001
92 HD1 TYR 14 HD1 TYR 14 2.755 -0.513 -1.138
93 HD2 TYR 14 HD2 TYR 14 -0.667 1.866 -0.109
94 HE1 TYR 14 HE1 TYR 14 3.626 1.339 -2.526
95 HE2 TYR 14 HE2 TYR 14 0.205 3.719 -1.491
96 HH TYR 14 HH TYR 14 3.185 4.092 -2.412
97 H LYS 15 H LYS 15 -2.099 -0.564 1.407
98 HA LYS 15 HA LYS 15 -3.250 1.945 1.102
99 1HB LYS 15 2HB LYS 15 -4.157 -0.560 2.545
100 2HB LYS 15 1HB LYS 15 -5.236 0.813 2.298
101 1HG LYS 15 2HG LYS 15 -3.739 -0.535 0.041
102 2HG LYS 15 1HG LYS 15 -5.377 -0.985 0.515
103 1HD LYS 15 2HD LYS 15 -6.248 0.782 -0.578
104 2HD LYS 15 1HD LYS 15 -5.147 1.892 0.239
105 1HE LYS 15 2HE LYS 15 -3.850 0.222 -1.823
106 2HE LYS 15 1HE LYS 15 -5.053 1.367 -2.450
107 1HZ LYS 15 1HZ LYS 15 -2.644 1.918 -0.838
108 2HZ LYS 15 2HZ LYS 15 -3.960 2.992 -0.804
109 3HZ LYS 15 3HZ LYS 15 -3.161 2.670 -2.267
110 H GLN 16 H GLN 16 -2.574 0.241 4.161
111 HA GLN 16 HA GLN 16 -3.286 2.577 5.800
112 1HB GLN 16 2HB GLN 16 -1.858 0.010 6.556
113 2HB GLN 16 1HB GLN 16 -2.778 1.070 7.623
114 1HG GLN 16 2HG GLN 16 -4.229 0.001 5.254
115 2HG GLN 16 1HG GLN 16 -3.833 -1.155 6.524
116 1HE2 GLN 16 1HE2 GLN 16 -6.427 0.452 5.641
117 2HE2 GLN 16 2HE2 GLN 16 -7.045 0.981 7.131
118 H CYS 17 H CYS 17 -0.451 1.389 4.205
119 HA CYS 17 HA CYS 17 1.371 2.928 5.989
120 1HB CYS 17 2HB CYS 17 2.099 0.712 5.486
121 2HB CYS 17 1HB CYS 17 1.691 0.886 3.782
122 H HIS 18 H HIS 18 1.121 2.496 2.435
123 HA HIS 18 HA HIS 18 1.899 5.370 2.131
124 1HB HIS 18 2HB HIS 18 2.160 2.888 0.428
125 2HB HIS 18 1HB HIS 18 2.485 4.500 -0.210
126 HD1 HIS 18 HD1 HIS 18 4.256 1.786 1.106
127 HD2 HIS 18 HD2 HIS 18 4.385 5.875 1.889
128 HE1 HIS 18 HE1 HIS 18 6.504 2.239 2.169
129 H GLY 19 H GLY 19 -0.911 3.714 2.267
130 1HA GLY 19 2HA GLY 19 -2.076 4.859 -0.214
131 2HA GLY 19 1HA GLY 19 -2.880 3.718 0.862
132 H ARG 20 H ARG 20 -1.799 5.511 3.152
133 HA ARG 20 HA ARG 20 -4.039 7.497 2.993
134 1HB ARG 20 2HB ARG 20 -3.728 5.495 4.736
135 2HB ARG 20 1HB ARG 20 -2.709 6.685 5.545
136 1HG ARG 20 2HG ARG 20 -4.854 8.236 4.970
137 2HG ARG 20 1HG ARG 20 -5.647 6.674 5.146
138 1HD ARG 20 2HD ARG 20 -3.703 7.009 7.260
139 2HD ARG 20 1HD ARG 20 -4.835 8.376 7.242
140 HE ARG 20 HE ARG 20 -6.676 6.607 7.135
141 1HH1 ARG 20 1HH1 ARG 20 -4.544 4.376 6.962
142 2HH1 ARG 20 2HH1 ARG 20 -4.619 3.748 8.574
143 1HH2 ARG 20 1HH2 ARG 20 -6.342 6.476 9.842
144 2HH2 ARG 20 2HH2 ARG 20 -5.635 4.938 10.205
145 H LEU 21 H LEU 21 -3.243 9.096 5.132
146 HA LEU 21 HA LEU 21 -0.526 10.099 4.440
147 1HB LEU 21 2HB LEU 21 -1.715 12.432 4.485
148 2HB LEU 21 1HB LEU 21 -1.884 11.436 3.038
149 HG LEU 21 HG LEU 21 -4.039 10.569 3.896
150 1HD1 LEU 21 1HD1 LEU 21 -3.372 12.412 6.196
151 2HD1 LEU 21 2HD1 LEU 21 -3.775 10.696 6.257
152 3HD1 LEU 21 3HD1 LEU 21 -5.021 11.882 5.869
153 1HD2 LEU 21 1HD2 LEU 21 -3.516 13.091 2.836
154 2HD2 LEU 21 2HD2 LEU 21 -4.585 13.426 4.200
155 3HD2 LEU 21 3HD2 LEU 21 -5.098 12.318 2.926
156 H GLN 22 HN GLN 22 -1.289 8.672 6.730
157 HA GLN 22 HA GLN 22 -1.170 10.801 8.845
158 1HB GLN 22 2HB GLN 22 -3.173 8.912 8.330
159 2HB GLN 22 1HB GLN 22 -2.266 8.229 9.680
160 1HG GLN 22 2HG GLN 22 -2.499 10.949 10.298
161 2HG GLN 22 1HG GLN 22 -4.080 10.501 9.655
162 1HE2 GLN 22 1HE2 GLN 22 -4.044 7.725 10.523
163 2HE2 GLN 22 2HE2 GLN 22 -4.155 7.719 12.216
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 -7.052 0.538 -6.548
2 2H GLY 1 2HT GLY 1 -6.179 1.983 -6.742
3 3H GLY 1 3HT GLY 1 -7.424 1.887 -5.589
4 1HA GLY 1 2HA GLY 1 -4.984 1.710 -4.812
5 2HA GLY 1 1HA GLY 1 -6.195 0.623 -4.131
6 H ARG 2 H ARG 2 -3.164 0.458 -4.964
7 HA ARG 2 HA ARG 2 -3.258 -1.898 -6.764
8 1HB ARG 2 2HB ARG 2 -0.869 -0.610 -5.425
9 2HB ARG 2 1HB ARG 2 -0.903 -1.521 -6.933
10 1HG ARG 2 2HG ARG 2 -2.319 1.126 -6.513
11 2HG ARG 2 1HG ARG 2 -0.740 0.957 -7.280
12 1HD ARG 2 2HD ARG 2 -2.713 -0.874 -8.431
13 2HD ARG 2 1HD ARG 2 -3.183 0.828 -8.603
14 HE ARG 2 HE ARG 2 -1.399 1.055 -10.124
15 1HH1 ARG 2 1HH1 ARG 2 -1.265 -2.056 -10.041
16 2HH1 ARG 2 2HH1 ARG 2 0.438 -2.274 -9.806
17 1HH2 ARG 2 1HH2 ARG 2 1.004 1.023 -8.889
18 2HH2 ARG 2 2HH2 ARG 2 1.721 -0.532 -9.150
19 H ASN 3 H ASN 3 -0.692 -2.777 -5.294
20 HA ASN 3 HA ASN 3 -2.069 -4.344 -3.158
21 1HB ASN 3 2HB ASN 3 0.548 -4.949 -4.527
22 2HB ASN 3 1HB ASN 3 -0.507 -6.075 -3.670
23 1HD2 ASN 3 1HD2 ASN 3 0.439 -5.993 -6.602
24 2HD2 ASN 3 2HD2 ASN 3 -0.997 -6.103 -7.500
25 H ASP 4 H ASP 4 0.667 -5.198 -2.215
26 HA ASP 4 HA ASP 4 1.250 -2.690 -0.691
27 1HB ASP 4 2HB ASP 4 1.436 -5.606 -0.092
28 2HB ASP 4 1HB ASP 4 2.251 -4.427 0.917
29 HA PRO 5 HA PRO 5 4.895 -3.972 -3.395
30 1HB PRO 5 2HB PRO 5 5.103 -1.567 -4.713
31 2HB PRO 5 1HB PRO 5 4.129 -2.920 -5.303
32 1HG PRO 5 2HG PRO 5 3.251 -0.521 -3.750
33 2HG PRO 5 1HG PRO 5 2.508 -1.260 -5.178
34 1HD PRO 5 2HD PRO 5 1.542 -1.726 -2.734
35 2HD PRO 5 1HD PRO 5 1.579 -3.016 -3.955
36 H CYS 6 H CYS 6 5.540 -0.619 -3.385
37 HA CYS 6 HA CYS 6 7.315 0.475 -2.236
38 1HB CYS 6 2HB CYS 6 6.274 1.241 -0.173
39 2HB CYS 6 1HB CYS 6 5.018 0.945 -1.342
40 HA PRO 7 HA PRO 7 9.684 -2.351 0.280
41 1HB PRO 7 2HB PRO 7 10.186 -1.276 2.721
42 2HB PRO 7 1HB PRO 7 10.822 -0.572 1.222
43 1HG PRO 7 2HG PRO 7 8.779 0.432 2.996
44 2HG PRO 7 1HG PRO 7 9.638 1.259 1.698
45 1HD PRO 7 2HD PRO 7 6.977 0.078 1.678
46 2HD PRO 7 1HD PRO 7 7.758 1.127 0.475
47 H CYS 8 H CYS 8 6.639 -2.452 0.753
48 HA CYS 8 HA CYS 8 6.604 -3.765 3.392
49 1HB CYS 8 2HB CYS 8 4.455 -2.851 1.476
50 2HB CYS 8 1HB CYS 8 4.103 -3.711 2.969
51 H GLY 9 H GLY 9 5.446 -4.414 0.055
52 1HA GLY 9 2HA GLY 9 5.244 -6.445 -1.109
53 2HA GLY 9 1HA GLY 9 6.484 -7.078 -0.028
54 H SER 10 H SER 10 2.974 -6.475 -0.237
55 HA SER 10 HA SER 10 2.320 -9.003 0.947
56 1HB SER 10 2HB SER 10 1.752 -8.227 3.123
57 2HB SER 10 1HB SER 10 3.357 -7.597 2.804
58 HG SER 10 HG SER 10 2.538 -5.686 3.024
59 H GLY 11 H GLY 11 0.064 -7.352 2.381
60 1HA GLY 11 2HA GLY 11 -1.460 -6.309 0.089
61 2HA GLY 11 1HA GLY 11 -2.138 -7.733 0.878
62 H LYS 12 H LYS 12 -2.921 -4.745 0.740
63 HA LYS 12 HA LYS 12 -4.257 -3.432 2.187
64 1HB LYS 12 2HB LYS 12 -3.353 -5.230 4.435
65 2HB LYS 12 1HB LYS 12 -4.831 -4.286 4.333
66 1HG LYS 12 2HG LYS 12 -5.915 -5.915 3.216
67 2HG LYS 12 1HG LYS 12 -4.578 -6.139 2.090
68 1HD LYS 12 2HD LYS 12 -5.174 -8.130 3.616
69 2HD LYS 12 1HD LYS 12 -3.476 -7.669 3.532
70 1HE LYS 12 2HE LYS 12 -3.436 -6.938 5.709
71 2HE LYS 12 1HE LYS 12 -5.091 -6.303 5.630
72 1HZ LYS 12 1HZ LYS 12 -5.840 -8.667 5.467
73 2HZ LYS 12 2HZ LYS 12 -5.163 -8.248 6.969
74 3HZ LYS 12 3HZ LYS 12 -4.256 -9.143 5.846
75 H LYS 13 H LYS 13 -1.181 -4.446 3.579
76 HA LYS 13 HA LYS 13 -0.568 -2.446 5.349
77 1HB LYS 13 2HB LYS 13 1.267 -3.514 3.202
78 2HB LYS 13 1HB LYS 13 1.782 -2.764 4.705
79 1HG LYS 13 2HG LYS 13 0.058 -5.251 4.595
80 2HG LYS 13 1HG LYS 13 1.810 -5.280 4.744
81 1HD LYS 13 2HD LYS 13 1.208 -5.338 6.983
82 2HD LYS 13 1HD LYS 13 1.339 -3.596 6.738
83 1HE LYS 13 2HE LYS 13 -1.262 -4.080 5.956
84 2HE LYS 13 1HE LYS 13 -1.052 -5.219 7.302
85 1HZ LYS 13 1HZ LYS 13 -1.534 -3.284 8.422
86 2HZ LYS 13 2HZ LYS 13 -0.756 -2.291 7.285
87 3HZ LYS 13 3HZ LYS 13 0.160 -3.210 8.381
88 H TYR 14 H TYR 14 0.779 -2.098 2.150
89 HA TYR 14 HA TYR 14 1.456 0.507 1.998
90 1HB TYR 14 2HB TYR 14 1.422 -1.301 0.264
91 2HB TYR 14 1HB TYR 14 -0.247 -0.853 -0.075
92 HD1 TYR 14 HD1 TYR 14 2.991 -0.410 -1.191
93 HD2 TYR 14 HD2 TYR 14 -0.482 1.913 -0.195
94 HE1 TYR 14 HE1 TYR 14 3.832 1.454 -2.587
95 HE2 TYR 14 HE2 TYR 14 0.364 3.774 -1.582
96 HH TYR 14 HH TYR 14 3.040 3.393 -3.738
97 H LYS 15 H LYS 15 -1.929 -0.513 1.278
98 HA LYS 15 HA LYS 15 -3.095 1.981 0.917
99 1HB LYS 15 2HB LYS 15 -3.888 -0.667 2.008
100 2HB LYS 15 1HB LYS 15 -4.969 0.669 2.408
101 1HG LYS 15 2HG LYS 15 -5.640 -0.416 0.293
102 2HG LYS 15 1HG LYS 15 -5.142 1.253 0.026
103 1HD LYS 15 2HD LYS 15 -3.025 -0.829 -0.169
104 2HD LYS 15 1HD LYS 15 -4.209 -0.768 -1.473
105 1HE LYS 15 2HE LYS 15 -3.483 1.926 -0.924
106 2HE LYS 15 1HE LYS 15 -1.977 0.992 -1.027
107 1HZ LYS 15 1HZ LYS 15 -4.054 1.388 -3.048
108 2HZ LYS 15 2HZ LYS 15 -3.297 -0.132 -2.996
109 3HZ LYS 15 3HZ LYS 15 -2.372 1.273 -3.237
110 H GLN 16 H GLN 16 -2.396 0.333 3.991
111 HA GLN 16 HA GLN 16 -3.187 2.662 5.607
112 1HB GLN 16 2HB GLN 16 -1.698 0.164 6.452
113 2HB GLN 16 1HB GLN 16 -2.757 1.173 7.433
114 1HG GLN 16 2HG GLN 16 -3.886 -0.160 4.988
115 2HG GLN 16 1HG GLN 16 -3.640 -1.113 6.448
116 1HE2 GLN 16 1HE2 GLN 16 -5.483 -1.160 7.721
117 2HE2 GLN 16 2HE2 GLN 16 -6.594 0.112 7.886
118 H CYS 17 H CYS 17 -0.264 1.231 4.275
119 HA CYS 17 HA CYS 17 1.533 2.845 5.971
120 1HB CYS 17 2HB CYS 17 2.287 0.657 5.418
121 2HB CYS 17 1HB CYS 17 1.820 0.833 3.733
122 H HIS 18 H HIS 18 1.255 2.502 2.415
123 HA HIS 18 HA HIS 18 2.049 5.374 2.157
124 1HB HIS 18 2HB HIS 18 2.256 2.929 0.396
125 2HB HIS 18 1HB HIS 18 2.627 4.551 -0.189
126 HD1 HIS 18 HD1 HIS 18 4.518 1.882 0.639
127 HD2 HIS 18 HD2 HIS 18 4.358 5.668 2.368
128 HE1 HIS 18 HE1 HIS 18 6.720 2.208 1.841
129 H GLY 19 H GLY 19 -0.769 3.736 2.290
130 1HA GLY 19 2HA GLY 19 -1.972 4.841 -0.173
131 2HA GLY 19 1HA GLY 19 -2.791 3.816 1.007
132 H ARG 20 H ARG 20 -1.369 5.852 3.006
133 HA ARG 20 HA ARG 20 -2.170 7.688 4.265
134 1HB ARG 20 2HB ARG 20 -1.399 8.801 2.212
135 2HB ARG 20 1HB ARG 20 -2.949 8.473 1.436
136 1HG ARG 20 2HG ARG 20 -3.817 10.343 2.330
137 2HG ARG 20 1HG ARG 20 -3.447 9.754 3.951
138 1HD ARG 20 2HD ARG 20 -1.126 10.795 2.411
139 2HD ARG 20 1HD ARG 20 -2.322 11.999 2.933
140 HE ARG 20 HE ARG 20 -2.091 10.919 5.250
141 1HH1 ARG 20 1HH1 ARG 20 -0.212 8.750 4.534
142 2HH1 ARG 20 2HH1 ARG 20 1.330 9.433 4.926
143 1HH2 ARG 20 1HH2 ARG 20 0.154 12.695 5.030
144 2HH2 ARG 20 2HH2 ARG 20 1.539 11.669 5.203
145 H LEU 21 H LEU 21 -4.052 5.353 3.474
146 HA LEU 21 HA LEU 21 -6.373 4.859 3.600
147 1HB LEU 21 2HB LEU 21 -5.534 5.546 5.910
148 2HB LEU 21 1HB LEU 21 -6.233 7.135 5.596
149 HG LEU 21 HG LEU 21 -8.292 5.429 4.904
150 1HD1 LEU 21 1HD1 LEU 21 -7.665 3.416 5.799
151 2HD1 LEU 21 2HD1 LEU 21 -8.261 4.148 7.289
152 3HD1 LEU 21 3HD1 LEU 21 -6.534 4.157 6.932
153 1HD2 LEU 21 1HD2 LEU 21 -7.942 6.449 7.720
154 2HD2 LEU 21 2HD2 LEU 21 -9.408 6.398 6.743
155 3HD2 LEU 21 3HD2 LEU 21 -8.144 7.572 6.375
156 H GLN 22 HN GLN 22 -6.043 6.391 1.373
157 HA GLN 22 HA GLN 22 -7.079 8.002 -0.026
158 1HB GLN 22 2HB GLN 22 -9.059 6.609 1.680
159 2HB GLN 22 1HB GLN 22 -9.653 8.073 0.896
160 1HG GLN 22 2HG GLN 22 -9.446 7.194 -1.220
161 2HG GLN 22 1HG GLN 22 -8.063 6.193 -0.782
162 1HE2 GLN 22 1HE2 GLN 22 -8.525 3.996 -0.589
163 2HE2 GLN 22 2HE2 GLN 22 -10.062 3.347 -0.277
Start of MODEL 11
1 1H GLY 1 1HT GLY 1 -6.497 -7.889 -3.364
2 2H GLY 1 2HT GLY 1 -7.454 -8.180 -1.991
3 3H GLY 1 3HT GLY 1 -6.077 -7.193 -1.876
4 1HA GLY 1 2HA GLY 1 -8.437 -6.547 -3.552
5 2HA GLY 1 1HA GLY 1 -8.196 -5.935 -1.917
6 H ARG 2 H ARG 2 -5.753 -5.096 -1.671
7 HA ARG 2 HA ARG 2 -5.364 -3.157 -3.917
8 1HB ARG 2 2HB ARG 2 -4.385 -3.101 -1.042
9 2HB ARG 2 1HB ARG 2 -4.354 -1.761 -2.189
10 1HG ARG 2 2HG ARG 2 -6.968 -3.102 -1.574
11 2HG ARG 2 1HG ARG 2 -6.309 -1.934 -0.430
12 1HD ARG 2 2HD ARG 2 -6.921 -0.202 -1.759
13 2HD ARG 2 1HD ARG 2 -6.126 -0.941 -3.166
14 HE ARG 2 HE ARG 2 -8.475 -2.442 -2.592
15 1HH1 ARG 2 1HH1 ARG 2 -7.721 -1.247 -5.277
16 2HH1 ARG 2 2HH1 ARG 2 -9.028 -0.140 -5.537
17 1HH2 ARG 2 1HH2 ARG 2 -10.071 -0.187 -2.229
18 2HH2 ARG 2 2HH2 ARG 2 -10.360 0.459 -3.811
19 H ASN 3 H ASN 3 -2.730 -2.412 -3.237
20 HA ASN 3 HA ASN 3 -1.150 -4.929 -3.641
21 1HB ASN 3 2HB ASN 3 -0.260 -2.426 -4.976
22 2HB ASN 3 1HB ASN 3 -0.201 -4.085 -5.563
23 1HD2 ASN 3 1HD2 ASN 3 -1.720 -4.603 -7.152
24 2HD2 ASN 3 2HD2 ASN 3 -3.130 -3.714 -7.473
25 H ASP 4 H ASP 4 0.653 -5.047 -2.295
26 HA ASP 4 HA ASP 4 1.294 -2.533 -0.813
27 1HB ASP 4 2HB ASP 4 1.472 -5.428 -0.121
28 2HB ASP 4 1HB ASP 4 2.159 -4.171 0.895
29 HA PRO 5 HA PRO 5 4.990 -3.806 -3.428
30 1HB PRO 5 2HB PRO 5 5.249 -1.380 -4.688
31 2HB PRO 5 1HB PRO 5 4.237 -2.686 -5.322
32 1HG PRO 5 2HG PRO 5 3.418 -0.336 -3.656
33 2HG PRO 5 1HG PRO 5 2.681 -0.953 -5.143
34 1HD PRO 5 2HD PRO 5 1.626 -1.554 -2.784
35 2HD PRO 5 1HD PRO 5 1.722 -2.782 -4.065
36 H CYS 6 H CYS 6 5.684 -0.477 -3.351
37 HA CYS 6 HA CYS 6 7.426 0.589 -2.126
38 1HB CYS 6 2HB CYS 6 6.279 1.404 -0.138
39 2HB CYS 6 1HB CYS 6 5.078 1.114 -1.367
40 HA PRO 7 HA PRO 7 9.574 -2.246 0.575
41 1HB PRO 7 2HB PRO 7 9.926 -1.163 3.037
42 2HB PRO 7 1HB PRO 7 10.681 -0.485 1.581
43 1HG PRO 7 2HG PRO 7 8.537 0.574 3.200
44 2HG PRO 7 1HG PRO 7 9.505 1.375 1.963
45 1HD PRO 7 2HD PRO 7 6.830 0.252 1.764
46 2HD PRO 7 1HD PRO 7 7.715 1.270 0.608
47 H CYS 8 H CYS 8 6.516 -2.340 0.809
48 HA CYS 8 HA CYS 8 6.271 -3.577 3.478
49 1HB CYS 8 2HB CYS 8 4.276 -2.671 1.400
50 2HB CYS 8 1HB CYS 8 3.803 -3.534 2.857
51 H GLY 9 H GLY 9 5.366 -4.291 0.079
52 1HA GLY 9 2HA GLY 9 5.173 -6.352 -1.039
53 2HA GLY 9 1HA GLY 9 6.318 -6.987 0.141
54 H SER 10 H SER 10 2.867 -6.381 -0.418
55 HA SER 10 HA SER 10 2.082 -8.776 0.949
56 1HB SER 10 2HB SER 10 1.158 -7.629 2.921
57 2HB SER 10 1HB SER 10 2.892 -7.369 2.800
58 HG SER 10 HG SER 10 2.513 -5.330 2.603
59 H GLY 11 H GLY 11 -0.329 -6.987 1.943
60 1HA GLY 11 2HA GLY 11 -1.595 -6.465 -0.697
61 2HA GLY 11 1HA GLY 11 -2.403 -7.555 0.423
62 H LYS 12 H LYS 12 -1.983 -6.162 2.859
63 HA LYS 12 HA LYS 12 -3.760 -3.807 2.404
64 1HB LYS 12 2HB LYS 12 -3.120 -5.291 4.956
65 2HB LYS 12 1HB LYS 12 -4.498 -4.235 4.653
66 1HG LYS 12 2HG LYS 12 -5.404 -5.792 3.022
67 2HG LYS 12 1HG LYS 12 -3.968 -6.809 3.144
68 1HD LYS 12 2HD LYS 12 -6.058 -6.309 5.274
69 2HD LYS 12 1HD LYS 12 -5.652 -7.843 4.501
70 1HE LYS 12 2HE LYS 12 -3.338 -7.657 5.488
71 2HE LYS 12 1HE LYS 12 -3.903 -6.241 6.399
72 1HZ LYS 12 1HZ LYS 12 -5.630 -7.536 7.386
73 2HZ LYS 12 2HZ LYS 12 -4.170 -8.372 7.618
74 3HZ LYS 12 3HZ LYS 12 -5.262 -8.881 6.421
75 H LYS 13 H LYS 13 -0.766 -4.753 3.870
76 HA LYS 13 HA LYS 13 0.099 -2.825 5.534
77 1HB LYS 13 2HB LYS 13 1.570 -3.722 3.048
78 2HB LYS 13 1HB LYS 13 2.329 -3.044 4.485
79 1HG LYS 13 2HG LYS 13 0.718 -5.605 4.378
80 2HG LYS 13 1HG LYS 13 2.471 -5.493 4.453
81 1HD LYS 13 2HD LYS 13 2.445 -5.148 6.684
82 2HD LYS 13 1HD LYS 13 1.201 -3.907 6.544
83 1HE LYS 13 2HE LYS 13 -0.527 -5.700 6.345
84 2HE LYS 13 1HE LYS 13 0.743 -6.911 6.608
85 1HZ LYS 13 1HZ LYS 13 1.157 -6.152 8.732
86 2HZ LYS 13 2HZ LYS 13 -0.529 -5.975 8.640
87 3HZ LYS 13 3HZ LYS 13 0.483 -4.624 8.445
88 H TYR 14 H TYR 14 1.014 -2.276 2.236
89 HA TYR 14 HA TYR 14 1.598 0.353 2.122
90 1HB TYR 14 2HB TYR 14 1.424 -1.451 0.371
91 2HB TYR 14 1HB TYR 14 -0.268 -1.000 0.191
92 HD1 TYR 14 HD1 TYR 14 -0.575 1.709 0.045
93 HD2 TYR 14 HD2 TYR 14 2.917 -0.504 -1.098
94 HE1 TYR 14 HE1 TYR 14 0.141 3.585 -1.394
95 HE2 TYR 14 HE2 TYR 14 3.641 1.367 -2.533
96 HH TYR 14 HH TYR 14 2.805 4.277 -2.331
97 H LYS 15 H LYS 15 -1.786 -0.787 1.674
98 HA LYS 15 HA LYS 15 -3.092 1.642 1.499
99 1HB LYS 15 2HB LYS 15 -3.688 -1.054 2.079
100 2HB LYS 15 1HB LYS 15 -4.435 -0.119 3.376
101 1HG LYS 15 2HG LYS 15 -4.799 1.066 0.712
102 2HG LYS 15 1HG LYS 15 -5.543 -0.523 0.888
103 1HD LYS 15 2HD LYS 15 -5.985 1.157 3.236
104 2HD LYS 15 1HD LYS 15 -6.620 1.894 1.764
105 1HE LYS 15 2HE LYS 15 -7.612 -0.497 1.304
106 2HE LYS 15 1HE LYS 15 -7.398 -0.712 3.052
107 1HZ LYS 15 1HZ LYS 15 -8.507 1.484 3.334
108 2HZ LYS 15 2HZ LYS 15 -9.526 0.273 2.712
109 3HZ LYS 15 3HZ LYS 15 -8.886 1.463 1.682
110 H GLN 16 H GLN 16 -2.101 -0.030 4.488
111 HA GLN 16 HA GLN 16 -2.894 2.176 6.239
112 1HB GLN 16 2HB GLN 16 -1.062 -0.168 6.815
113 2HB GLN 16 1HB GLN 16 -2.084 0.701 7.955
114 1HG GLN 16 2HG GLN 16 -3.624 -0.402 5.730
115 2HG GLN 16 1HG GLN 16 -2.754 -1.648 6.624
116 1HE2 GLN 16 1HE2 GLN 16 -5.732 -0.448 6.574
117 2HE2 GLN 16 2HE2 GLN 16 -6.108 -0.405 8.229
118 H CYS 17 H CYS 17 -0.066 1.264 4.435
119 HA CYS 17 HA CYS 17 1.713 3.023 6.047
120 1HB CYS 17 2HB CYS 17 2.614 0.885 5.525
121 2HB CYS 17 1HB CYS 17 2.033 0.961 3.864
122 H HIS 18 H HIS 18 1.286 2.489 2.539
123 HA HIS 18 HA HIS 18 1.785 5.403 2.110
124 1HB HIS 18 2HB HIS 18 2.124 2.895 0.461
125 2HB HIS 18 1HB HIS 18 2.341 4.510 -0.217
126 HD1 HIS 18 HD1 HIS 18 4.388 1.962 0.842
127 HD2 HIS 18 HD2 HIS 18 4.160 5.955 2.017
128 HE1 HIS 18 HE1 HIS 18 6.626 2.528 1.872
129 H GLY 19 H GLY 19 -0.871 3.575 2.502
130 1HA GLY 19 2HA GLY 19 -2.301 4.327 0.038
131 2HA GLY 19 1HA GLY 19 -2.974 3.424 1.389
132 H ARG 20 H ARG 20 -1.295 6.235 2.364
133 HA ARG 20 HA ARG 20 -3.443 7.457 3.674
134 1HB ARG 20 2HB ARG 20 -2.022 9.490 3.564
135 2HB ARG 20 1HB ARG 20 -1.052 8.055 3.901
136 1HG ARG 20 2HG ARG 20 -1.211 8.252 1.083
137 2HG ARG 20 1HG ARG 20 -0.861 9.878 1.672
138 1HD ARG 20 2HD ARG 20 0.714 7.928 3.134
139 2HD ARG 20 1HD ARG 20 0.991 7.778 1.387
140 HE ARG 20 HE ARG 20 1.187 10.396 1.520
141 1HH1 ARG 20 1HH1 ARG 20 3.743 8.961 1.975
142 2HH1 ARG 20 2HH1 ARG 20 4.270 9.598 3.497
143 1HH2 ARG 20 1HH2 ARG 20 1.153 10.869 4.341
144 2HH2 ARG 20 2HH2 ARG 20 2.803 10.681 4.836
145 H LEU 21 H LEU 21 -4.996 9.029 3.055
146 HA LEU 21 HA LEU 21 -5.155 9.677 0.134
147 1HB LEU 21 2HB LEU 21 -6.631 7.740 1.280
148 2HB LEU 21 1HB LEU 21 -7.644 9.124 1.690
149 HG LEU 21 HG LEU 21 -8.453 8.366 -0.418
150 1HD1 LEU 21 1HD1 LEU 21 -7.986 10.229 -1.899
151 2HD1 LEU 21 2HD1 LEU 21 -6.472 10.568 -1.061
152 3HD1 LEU 21 3HD1 LEU 21 -8.011 10.833 -0.241
153 1HD2 LEU 21 1HD2 LEU 21 -6.264 7.022 -0.805
154 2HD2 LEU 21 2HD2 LEU 21 -5.678 8.484 -1.598
155 3HD2 LEU 21 3HD2 LEU 21 -7.104 7.653 -2.221
156 H GLN 22 HN GLN 22 -4.579 11.872 0.479
157 HA GLN 22 HA GLN 22 -4.866 14.112 1.190
158 1HB GLN 22 2HB GLN 22 -6.838 13.743 -0.214
159 2HB GLN 22 1HB GLN 22 -7.701 13.022 1.145
160 1HG GLN 22 2HG GLN 22 -7.595 15.148 2.370
161 2HG GLN 22 1HG GLN 22 -6.683 15.878 1.048
162 1HE2 GLN 22 1HE2 GLN 22 -8.364 17.443 0.543
163 2HE2 GLN 22 2HE2 GLN 22 -9.841 16.975 -0.151
Start of MODEL 12
1 1H GLY 1 1HT GLY 1 -1.718 -11.576 -0.788
2 2H GLY 1 2HT GLY 1 -1.665 -11.123 0.849
3 3H GLY 1 3HT GLY 1 -0.310 -11.842 0.120
4 1HA GLY 1 2HA GLY 1 -0.949 -9.119 0.299
5 2HA GLY 1 1HA GLY 1 0.470 -9.863 -0.442
6 H ARG 2 H ARG 2 -2.557 -8.323 -1.054
7 HA ARG 2 HA ARG 2 -2.898 -9.175 -3.801
8 1HB ARG 2 2HB ARG 2 -3.942 -7.021 -1.987
9 2HB ARG 2 1HB ARG 2 -4.306 -6.945 -3.713
10 1HG ARG 2 2HG ARG 2 -5.505 -8.960 -3.685
11 2HG ARG 2 1HG ARG 2 -4.736 -9.508 -2.194
12 1HD ARG 2 2HD ARG 2 -6.212 -8.369 -0.868
13 2HD ARG 2 1HD ARG 2 -6.273 -6.982 -1.972
14 HE ARG 2 HE ARG 2 -8.053 -9.274 -2.053
15 1HH1 ARG 2 1HH2 ARG 2 -7.469 -6.245 -3.289
16 2HH1 ARG 2 2HH2 ARG 2 -8.130 -6.548 -4.861
17 1HH2 ARG 2 1HH1 ARG 2 -8.458 -9.961 -4.357
18 2HH2 ARG 2 2HH1 ARG 2 -8.687 -8.649 -5.466
19 H ASN 3 H ASN 3 -2.059 -5.882 -2.610
20 HA ASN 3 HA ASN 3 0.111 -5.734 -4.625
21 1HB ASN 3 2HB ASN 3 -1.756 -3.454 -4.747
22 2HB ASN 3 1HB ASN 3 -0.934 -4.303 -6.054
23 1HD2 ASN 3 1HD2 ASN 3 -3.982 -3.865 -4.589
24 2HD2 ASN 3 2HD2 ASN 3 -4.777 -5.188 -5.294
25 H ASP 4 H ASP 4 0.953 -5.616 -2.187
26 HA ASP 4 HA ASP 4 0.937 -2.735 -1.356
27 1HB ASP 4 2HB ASP 4 1.416 -5.332 0.103
28 2HB ASP 4 1HB ASP 4 1.790 -3.769 0.818
29 HA PRO 5 HA PRO 5 4.966 -3.818 -3.434
30 1HB PRO 5 2HB PRO 5 5.122 -1.383 -4.710
31 2HB PRO 5 1HB PRO 5 4.264 -2.781 -5.376
32 1HG PRO 5 2HG PRO 5 3.147 -0.503 -3.778
33 2HG PRO 5 1HG PRO 5 2.566 -1.160 -5.316
34 1HD PRO 5 2HD PRO 5 1.377 -1.881 -3.082
35 2HD PRO 5 1HD PRO 5 1.753 -3.113 -4.310
36 H CYS 6 H CYS 6 5.436 -0.450 -3.384
37 HA CYS 6 HA CYS 6 7.084 0.731 -2.174
38 1HB CYS 6 2HB CYS 6 5.954 1.440 -0.161
39 2HB CYS 6 1HB CYS 6 4.730 1.054 -1.342
40 HA PRO 7 HA PRO 7 9.531 -1.983 0.380
41 1HB PRO 7 2HB PRO 7 9.965 -0.857 2.807
42 2HB PRO 7 1HB PRO 7 10.580 -0.142 1.305
43 1HG PRO 7 2HG PRO 7 8.480 0.789 3.054
44 2HG PRO 7 1HG PRO 7 9.307 1.639 1.750
45 1HD PRO 7 2HD PRO 7 6.709 0.318 1.737
46 2HD PRO 7 1HD PRO 7 7.434 1.405 0.529
47 H CYS 8 H CYS 8 6.508 -2.257 0.789
48 HA CYS 8 HA CYS 8 6.504 -3.522 3.463
49 1HB CYS 8 2HB CYS 8 4.310 -2.680 1.566
50 2HB CYS 8 1HB CYS 8 4.007 -3.517 3.082
51 H GLY 9 H GLY 9 5.484 -4.201 0.091
52 1HA GLY 9 2HA GLY 9 5.225 -6.248 -1.038
53 2HA GLY 9 1HA GLY 9 6.477 -6.865 0.039
54 H SER 10 H SER 10 2.964 -6.259 -0.136
55 HA SER 10 HA SER 10 2.396 -8.771 1.183
56 1HB SER 10 2HB SER 10 1.562 -7.699 3.239
57 2HB SER 10 1HB SER 10 3.275 -7.390 3.008
58 HG SER 10 HG SER 10 2.729 -5.371 3.121
59 H GLY 11 H GLY 11 0.049 -6.945 2.398
60 1HA GLY 11 2HA GLY 11 -1.479 -6.341 -0.043
61 2HA GLY 11 1HA GLY 11 -2.116 -7.655 0.948
62 H LYS 12 H LYS 12 -3.092 -4.792 0.384
63 HA LYS 12 HA LYS 12 -4.324 -3.209 1.637
64 1HB LYS 12 2HB LYS 12 -3.709 -5.012 3.980
65 2HB LYS 12 1HB LYS 12 -5.086 -3.928 3.796
66 1HG LYS 12 2HG LYS 12 -4.529 -6.300 1.996
67 2HG LYS 12 1HG LYS 12 -5.673 -6.312 3.340
68 1HD LYS 12 2HD LYS 12 -7.125 -5.725 1.650
69 2HD LYS 12 1HD LYS 12 -6.560 -4.113 2.096
70 1HE LYS 12 2HE LYS 12 -5.308 -3.874 0.174
71 2HE LYS 12 1HE LYS 12 -4.928 -5.605 0.085
72 1HZ LYS 12 1HZ LYS 12 -6.511 -5.202 -1.599
73 2HZ LYS 12 2HZ LYS 12 -7.493 -4.273 -0.573
74 3HZ LYS 12 3HZ LYS 12 -7.366 -5.950 -0.341
75 H LYS 13 H LYS 13 -1.797 -4.414 3.765
76 HA LYS 13 HA LYS 13 -0.968 -2.483 5.347
77 1HB LYS 13 2HB LYS 13 0.440 -4.348 5.091
78 2HB LYS 13 1HB LYS 13 0.613 -4.068 3.358
79 1HG LYS 13 2HG LYS 13 2.671 -3.399 4.419
80 2HG LYS 13 1HG LYS 13 1.840 -1.938 3.901
81 1HD LYS 13 2HD LYS 13 2.152 -1.239 6.039
82 2HD LYS 13 1HD LYS 13 0.798 -2.303 6.415
83 1HE LYS 13 2HE LYS 13 2.810 -4.119 6.455
84 2HE LYS 13 1HE LYS 13 3.691 -2.671 6.982
85 1HZ LYS 13 1HZ LYS 13 2.474 -3.953 8.779
86 2HZ LYS 13 2HZ LYS 13 1.034 -3.387 8.077
87 3HZ LYS 13 3HZ LYS 13 2.168 -2.286 8.705
88 H TYR 14 H TYR 14 0.010 -2.321 1.987
89 HA TYR 14 HA TYR 14 1.227 0.160 1.877
90 1HB TYR 14 2HB TYR 14 0.740 -1.578 0.082
91 2HB TYR 14 1HB TYR 14 -0.840 -0.813 -0.089
92 HD1 TYR 14 HD1 TYR 14 -0.684 1.894 -0.170
93 HD2 TYR 14 HD2 TYR 14 2.429 -0.817 -1.361
94 HE1 TYR 14 HE1 TYR 14 0.343 3.679 -1.542
95 HE2 TYR 14 HE2 TYR 14 3.455 0.973 -2.734
96 HH TYR 14 HH TYR 14 2.042 4.243 -2.853
97 H LYS 15 H LYS 15 -2.289 -0.336 1.284
98 HA LYS 15 HA LYS 15 -3.159 2.290 1.131
99 1HB LYS 15 2HB LYS 15 -4.291 -0.179 2.458
100 2HB LYS 15 1HB LYS 15 -5.205 1.329 2.434
101 1HG LYS 15 2HG LYS 15 -4.092 -0.032 -0.035
102 2HG LYS 15 1HG LYS 15 -5.760 -0.182 0.516
103 1HD LYS 15 2HD LYS 15 -5.941 2.331 0.401
104 2HD LYS 15 1HD LYS 15 -4.347 2.352 -0.356
105 1HE LYS 15 2HE LYS 15 -5.807 0.406 -1.782
106 2HE LYS 15 1HE LYS 15 -6.913 1.779 -1.577
107 1HZ LYS 15 1HZ LYS 15 -5.123 1.786 -3.477
108 2HZ LYS 15 2HZ LYS 15 -4.104 2.322 -2.227
109 3HZ LYS 15 3HZ LYS 15 -5.496 3.211 -2.632
110 H GLN 16 H GLN 16 -2.569 0.427 4.107
111 HA GLN 16 HA GLN 16 -3.052 2.733 5.850
112 1HB GLN 16 2HB GLN 16 -1.728 0.083 6.481
113 2HB GLN 16 1HB GLN 16 -2.614 1.131 7.586
114 1HG GLN 16 2HG GLN 16 -4.215 0.342 5.257
115 2HG GLN 16 1HG GLN 16 -3.680 -1.034 6.217
116 1HE2 GLN 16 1HE2 GLN 16 -5.788 -1.432 7.159
117 2HE2 GLN 16 2HE2 GLN 16 -6.487 -0.364 8.277
118 H CYS 17 H CYS 17 -0.370 1.453 4.098
119 HA CYS 17 HA CYS 17 1.600 2.849 5.850
120 1HB CYS 17 2HB CYS 17 2.017 0.508 5.267
121 2HB CYS 17 1HB CYS 17 1.856 0.883 3.552
122 H HIS 18 H HIS 18 1.204 2.398 2.315
123 HA HIS 18 HA HIS 18 2.223 5.179 1.937
124 1HB HIS 18 2HB HIS 18 2.221 2.629 0.340
125 2HB HIS 18 1HB HIS 18 2.525 4.177 -0.445
126 HD1 HIS 18 HD1 HIS 18 5.025 3.327 -0.845
127 HD2 HIS 18 HD2 HIS 18 3.946 3.888 3.135
128 HE1 HIS 18 HE1 HIS 18 7.181 3.360 0.481
129 H GLY 19 H GLY 19 -0.717 3.836 2.270
130 1HA GLY 19 2HA GLY 19 -1.988 4.841 -0.179
131 2HA GLY 19 1HA GLY 19 -2.820 4.140 1.213
132 H ARG 20 H ARG 20 -2.661 5.540 3.258
133 HA ARG 20 HA ARG 20 -2.135 8.339 3.195
134 1HB ARG 20 2HB ARG 20 -3.961 8.188 1.447
135 2HB ARG 20 1HB ARG 20 -5.046 7.630 2.718
136 1HG ARG 20 2HG ARG 20 -5.095 9.689 3.776
137 2HG ARG 20 1HG ARG 20 -3.493 10.141 3.195
138 1HD ARG 20 2HD ARG 20 -5.263 9.779 0.939
139 2HD ARG 20 1HD ARG 20 -5.968 10.933 2.090
140 HE ARG 20 HE ARG 20 -3.089 11.256 1.462
141 1HH1 ARG 20 1HH1 ARG 20 -5.309 11.894 -0.691
142 2HH1 ARG 20 2HH1 ARG 20 -5.379 13.615 -0.514
143 1HH2 ARG 20 1HH2 ARG 20 -3.620 13.642 2.475
144 2HH2 ARG 20 2HH2 ARG 20 -4.420 14.606 1.277
145 H LEU 21 H LEU 21 -2.852 9.380 5.195
146 HA LEU 21 HA LEU 21 -4.226 7.591 7.156
147 1HB LEU 21 2HB LEU 21 -1.563 7.717 7.110
148 2HB LEU 21 1HB LEU 21 -1.852 9.208 8.009
149 HG LEU 21 HG LEU 21 -3.160 7.993 9.676
150 1HD1 LEU 21 1HD1 LEU 21 -4.239 6.162 8.890
151 2HD1 LEU 21 2HD1 LEU 21 -2.731 5.306 9.214
152 3HD1 LEU 21 3HD1 LEU 21 -3.065 5.920 7.595
153 1HD2 LEU 21 1HD2 LEU 21 -0.441 7.864 9.378
154 2HD2 LEU 21 2HD2 LEU 21 -0.852 6.152 9.479
155 3HD2 LEU 21 3HD2 LEU 21 -1.310 7.248 10.785
156 H GLN 22 HN GLN 22 -5.508 9.677 5.904
157 HA GLN 22 HA GLN 22 -6.349 11.338 8.094
158 1HB GLN 22 2HB GLN 22 -4.013 12.196 7.552
159 2HB GLN 22 1HB GLN 22 -4.656 12.723 5.997
160 1HG GLN 22 2HG GLN 22 -5.332 14.620 6.998
161 2HG GLN 22 1HG GLN 22 -6.492 13.655 7.913
162 1HE2 GLN 22 1HE2 GLN 22 -5.866 15.559 9.528
163 2HE2 GLN 22 2HE2 GLN 22 -4.586 15.218 10.589
Start of MODEL 13
1 1H GLY 1 1HT GLY 1 -7.652 1.521 -3.027
2 2H GLY 1 2HT GLY 1 -7.445 0.784 -4.543
3 3H GLY 1 3HT GLY 1 -6.106 1.421 -3.714
4 1HA GLY 1 2HA GLY 1 -6.428 -0.218 -1.940
5 2HA GLY 1 1HA GLY 1 -7.745 -0.911 -2.885
6 H ARG 2 H ARG 2 -4.260 -0.230 -2.960
7 HA ARG 2 HA ARG 2 -3.948 -2.198 -5.187
8 1HB ARG 2 2HB ARG 2 -1.853 -0.393 -3.960
9 2HB ARG 2 1HB ARG 2 -1.872 -1.092 -5.580
10 1HG ARG 2 2HG ARG 2 -4.042 0.260 -5.937
11 2HG ARG 2 1HG ARG 2 -3.568 1.154 -4.491
12 1HD ARG 2 2HD ARG 2 -1.518 1.894 -5.511
13 2HD ARG 2 1HD ARG 2 -1.740 0.794 -6.887
14 HE ARG 2 HE ARG 2 -3.637 3.040 -6.305
15 1HH1 ARG 2 1HH1 ARG 2 -4.064 0.726 -8.352
16 2HH1 ARG 2 2HH1 ARG 2 -3.686 1.557 -9.824
17 1HH2 ARG 2 1HH2 ARG 2 -2.184 4.246 -8.231
18 2HH2 ARG 2 2HH2 ARG 2 -2.626 3.551 -9.756
19 H ASN 3 H ASN 3 -1.533 -3.262 -4.813
20 HA ASN 3 HA ASN 3 -1.849 -4.959 -2.448
21 1HB ASN 3 2HB ASN 3 0.440 -4.927 -4.401
22 2HB ASN 3 1HB ASN 3 -0.211 -6.307 -3.514
23 1HD2 ASN 3 1HD2 ASN 3 -0.558 -4.373 -6.404
24 2HD2 ASN 3 2HD2 ASN 3 -1.867 -5.232 -7.062
25 H ASP 4 H ASP 4 0.855 -5.450 -1.802
26 HA ASP 4 HA ASP 4 1.525 -2.817 -0.560
27 1HB ASP 4 2HB ASP 4 1.424 -5.572 0.373
28 2HB ASP 4 1HB ASP 4 2.895 -4.739 0.845
29 HA PRO 5 HA PRO 5 4.910 -4.033 -3.501
30 1HB PRO 5 2HB PRO 5 4.864 -1.657 -4.890
31 2HB PRO 5 1HB PRO 5 3.893 -3.062 -5.353
32 1HG PRO 5 2HG PRO 5 3.074 -0.665 -3.761
33 2HG PRO 5 1HG PRO 5 2.223 -1.465 -5.092
34 1HD PRO 5 2HD PRO 5 1.538 -1.916 -2.546
35 2HD PRO 5 1HD PRO 5 1.491 -3.226 -3.746
36 H CYS 6 H CYS 6 5.463 -0.692 -3.633
37 HA CYS 6 HA CYS 6 7.262 0.476 -2.562
38 1HB CYS 6 2HB CYS 6 6.168 1.409 -0.586
39 2HB CYS 6 1HB CYS 6 4.947 1.043 -1.773
40 HA PRO 7 HA PRO 7 9.506 -2.162 0.292
41 1HB PRO 7 2HB PRO 7 9.900 -0.933 2.674
42 2HB PRO 7 1HB PRO 7 10.595 -0.317 1.162
43 1HG PRO 7 2HG PRO 7 8.471 0.777 2.785
44 2HG PRO 7 1HG PRO 7 9.382 1.533 1.477
45 1HD PRO 7 2HD PRO 7 6.735 0.324 1.421
46 2HD PRO 7 1HD PRO 7 7.551 1.319 0.196
47 H CYS 8 H CYS 8 6.442 -2.266 0.629
48 HA CYS 8 HA CYS 8 6.259 -3.326 3.382
49 1HB CYS 8 2HB CYS 8 4.277 -2.581 1.233
50 2HB CYS 8 1HB CYS 8 3.779 -3.393 2.713
51 H GLY 9 H GLY 9 5.631 -4.320 0.017
52 1HA GLY 9 2HA GLY 9 5.339 -6.451 -0.928
53 2HA GLY 9 1HA GLY 9 6.568 -6.957 0.230
54 H SER 10 H SER 10 3.033 -6.483 -0.111
55 HA SER 10 HA SER 10 2.493 -8.907 1.339
56 1HB SER 10 2HB SER 10 1.901 -8.007 3.401
57 2HB SER 10 1HB SER 10 3.313 -7.054 2.982
58 HG SER 10 HG SER 10 1.425 -5.844 3.701
59 H GLY 11 H GLY 11 0.025 -7.207 2.409
60 1HA GLY 11 2HA GLY 11 -1.511 -7.453 -0.135
61 2HA GLY 11 1HA GLY 11 -2.197 -7.748 1.457
62 H LYS 12 H LYS 12 -3.024 -5.998 2.624
63 HA LYS 12 HA LYS 12 -3.398 -3.506 1.094
64 1HB LYS 12 2HB LYS 12 -4.663 -4.945 3.385
65 2HB LYS 12 1HB LYS 12 -4.937 -3.209 3.244
66 1HG LYS 12 2HG LYS 12 -6.362 -3.490 1.521
67 2HG LYS 12 1HG LYS 12 -5.222 -4.535 0.670
68 1HD LYS 12 2HD LYS 12 -7.086 -5.392 2.906
69 2HD LYS 12 1HD LYS 12 -7.285 -5.768 1.195
70 1HE LYS 12 2HE LYS 12 -4.683 -6.607 1.720
71 2HE LYS 12 1HE LYS 12 -5.578 -7.077 3.179
72 1HZ LYS 12 1HZ LYS 12 -5.688 -8.687 1.248
73 2HZ LYS 12 2HZ LYS 12 -6.643 -7.530 0.451
74 3HZ LYS 12 3HZ LYS 12 -7.176 -8.216 1.910
75 H LYS 13 H LYS 13 -1.381 -4.574 3.629
76 HA LYS 13 HA LYS 13 -1.136 -2.532 5.442
77 1HB LYS 13 2HB LYS 13 0.301 -4.459 5.496
78 2HB LYS 13 1HB LYS 13 0.999 -4.040 3.934
79 1HG LYS 13 2HG LYS 13 2.646 -3.120 5.216
80 2HG LYS 13 1HG LYS 13 1.529 -1.764 5.322
81 1HD LYS 13 2HD LYS 13 1.331 -2.063 7.539
82 2HD LYS 13 1HD LYS 13 0.793 -3.725 7.286
83 1HE LYS 13 2HE LYS 13 2.804 -4.544 7.944
84 2HE LYS 13 1HE LYS 13 3.670 -3.451 6.849
85 1HZ LYS 13 1HZ LYS 13 2.364 -2.181 9.105
86 2HZ LYS 13 2HZ LYS 13 3.896 -1.886 8.428
87 3HZ LYS 13 3HZ LYS 13 3.675 -3.177 9.509
88 H TYR 14 H TYR 14 -0.499 -2.307 2.071
89 HA TYR 14 HA TYR 14 1.085 0.088 2.052
90 1HB TYR 14 2HB TYR 14 0.729 -1.627 0.257
91 2HB TYR 14 1HB TYR 14 -0.882 -0.970 0.025
92 HD1 TYR 14 HD1 TYR 14 -0.879 1.747 -0.123
93 HD2 TYR 14 HD2 TYR 14 2.403 -0.820 -1.172
94 HE1 TYR 14 HE1 TYR 14 0.053 3.534 -1.554
95 HE2 TYR 14 HE2 TYR 14 3.329 0.971 -2.614
96 HH TYR 14 HH TYR 14 1.562 3.975 -3.189
97 H LYS 15 H LYS 15 -2.426 -0.508 1.545
98 HA LYS 15 HA LYS 15 -3.200 2.178 1.207
99 1HB LYS 15 2HB LYS 15 -5.370 1.361 1.581
100 2HB LYS 15 1HB LYS 15 -4.499 -0.100 1.128
101 1HG LYS 15 2HG LYS 15 -4.169 -0.628 3.523
102 2HG LYS 15 1HG LYS 15 -5.085 0.812 3.954
103 1HD LYS 15 2HD LYS 15 -6.229 -1.335 2.163
104 2HD LYS 15 1HD LYS 15 -6.390 -1.398 3.918
105 1HE LYS 15 2HE LYS 15 -7.401 0.922 3.829
106 2HE LYS 15 1HE LYS 15 -7.427 0.768 2.062
107 1HZ LYS 15 1HZ LYS 15 -9.464 -0.045 3.384
108 2HZ LYS 15 2HZ LYS 15 -8.495 -1.385 3.773
109 3HZ LYS 15 3HZ LYS 15 -8.854 -1.035 2.150
110 H GLN 16 H GLN 16 -2.563 0.339 4.173
111 HA GLN 16 HA GLN 16 -3.183 2.607 5.944
112 1HB GLN 16 2HB GLN 16 -1.635 0.094 6.621
113 2HB GLN 16 1HB GLN 16 -2.669 1.051 7.678
114 1HG GLN 16 2HG GLN 16 -4.015 -0.083 5.297
115 2HG GLN 16 1HG GLN 16 -3.458 -1.264 6.476
116 1HE2 GLN 16 1HE2 GLN 16 -5.097 -1.734 7.938
117 2HE2 GLN 16 2HE2 GLN 16 -6.213 -0.613 8.553
118 H CYS 17 H CYS 17 -0.430 1.271 4.264
119 HA CYS 17 HA CYS 17 1.525 2.810 5.882
120 1HB CYS 17 2HB CYS 17 2.105 0.545 5.299
121 2HB CYS 17 1HB CYS 17 1.668 0.808 3.616
122 H HIS 18 H HIS 18 1.099 2.368 2.358
123 HA HIS 18 HA HIS 18 1.977 5.192 1.974
124 1HB HIS 18 2HB HIS 18 2.028 2.655 0.350
125 2HB HIS 18 1HB HIS 18 2.268 4.222 -0.423
126 HD1 HIS 18 HD1 HIS 18 4.734 2.832 -0.725
127 HD2 HIS 18 HD2 HIS 18 3.838 4.532 2.975
128 HE1 HIS 18 HE1 HIS 18 6.935 3.067 0.508
129 H GLY 19 H GLY 19 -0.929 3.767 2.348
130 1HA GLY 19 2HA GLY 19 -2.214 4.795 -0.093
131 2HA GLY 19 1HA GLY 19 -3.032 3.981 1.241
132 H ARG 20 H ARG 20 -0.871 6.491 2.158
133 HA ARG 20 HA ARG 20 -1.265 8.673 3.004
134 1HB ARG 20 2HB ARG 20 -3.942 8.709 1.651
135 2HB ARG 20 1HB ARG 20 -2.720 9.976 1.736
136 1HG ARG 20 2HG ARG 20 -1.318 8.251 0.299
137 2HG ARG 20 1HG ARG 20 -2.914 7.654 -0.139
138 1HD ARG 20 2HD ARG 20 -2.707 10.592 -0.227
139 2HD ARG 20 1HD ARG 20 -1.667 9.758 -1.400
140 HE ARG 20 HE ARG 20 -4.339 8.607 -1.259
141 1HH1 ARG 20 1HH1 ARG 20 -2.193 9.427 -3.508
142 2HH1 ARG 20 2HH1 ARG 20 -3.241 10.366 -4.517
143 1HH2 ARG 20 1HH2 ARG 20 -5.791 10.528 -2.176
144 2HH2 ARG 20 2HH2 ARG 20 -5.278 10.987 -3.765
145 H LEU 21 H LEU 21 -3.301 9.902 4.151
146 HA LEU 21 HA LEU 21 -4.312 7.938 6.125
147 1HB LEU 21 2HB LEU 21 -4.706 9.906 7.485
148 2HB LEU 21 1HB LEU 21 -3.129 10.108 6.723
149 HG LEU 21 HG LEU 21 -5.162 11.120 4.959
150 1HD1 LEU 21 1HD1 LEU 21 -6.548 12.307 6.286
151 2HD1 LEU 21 2HD1 LEU 21 -5.193 12.960 7.206
152 3HD1 LEU 21 3HD1 LEU 21 -5.895 11.405 7.654
153 1HD2 LEU 21 1HD2 LEU 21 -2.555 11.679 5.723
154 2HD2 LEU 21 2HD2 LEU 21 -3.460 13.060 6.345
155 3HD2 LEU 21 3HD2 LEU 21 -3.534 12.658 4.630
156 H GLN 22 HN GLN 22 -5.366 8.008 3.435
157 HA GLN 22 HA GLN 22 -7.441 8.169 2.278
158 1HB GLN 22 2HB GLN 22 -8.408 7.588 5.092
159 2HB GLN 22 1HB GLN 22 -9.171 7.090 3.581
160 1HG GLN 22 2HG GLN 22 -7.039 5.817 3.051
161 2HG GLN 22 1HG GLN 22 -6.527 6.140 4.707
162 1HE2 GLN 22 1HE2 GLN 22 -8.566 5.634 6.332
163 2HE2 GLN 22 2HE2 GLN 22 -9.260 4.107 6.078
Start of MODEL 14
1 1H GLY 1 1HT GLY 1 -5.985 -5.442 0.088
2 2H GLY 1 2HT GLY 1 -7.474 -5.955 -0.553
3 3H GLY 1 3HT GLY 1 -7.129 -4.296 -0.419
4 1HA GLY 1 2HA GLY 1 -6.782 -5.795 -2.649
5 2HA GLY 1 1HA GLY 1 -6.023 -4.232 -2.335
6 H ARG 2 H ARG 2 -4.925 -6.550 -3.810
7 HA ARG 2 HA ARG 2 -2.711 -7.453 -2.033
8 1HB ARG 2 2HB ARG 2 -3.896 -8.270 -4.676
9 2HB ARG 2 1HB ARG 2 -2.287 -8.828 -4.223
10 1HG ARG 2 2HG ARG 2 -4.680 -9.141 -2.401
11 2HG ARG 2 1HG ARG 2 -4.215 -10.372 -3.576
12 1HD ARG 2 2HD ARG 2 -2.031 -9.345 -1.831
13 2HD ARG 2 1HD ARG 2 -3.249 -10.377 -1.056
14 HE ARG 2 HE ARG 2 -2.556 -12.184 -2.446
15 1HH1 ARG 2 1HH2 ARG 2 -0.117 -10.030 -2.360
16 2HH1 ARG 2 2HH2 ARG 2 0.522 -10.348 -3.938
17 1HH2 ARG 2 1HH1 ARG 2 -2.205 -12.236 -4.953
18 2HH2 ARG 2 2HH1 ARG 2 -0.662 -11.593 -5.407
19 H ASN 3 H ASN 3 -2.463 -4.737 -2.610
20 HA ASN 3 HA ASN 3 -0.226 -4.778 -4.599
21 1HB ASN 3 2HB ASN 3 -1.728 -2.251 -4.340
22 2HB ASN 3 1HB ASN 3 -1.136 -3.059 -5.788
23 1HD2 ASN 3 1HD2 ASN 3 -2.574 -4.512 -6.903
24 2HD2 ASN 3 2HD2 ASN 3 -4.206 -4.692 -6.469
25 H ASP 4 H ASP 4 0.721 -5.050 -2.149
26 HA ASP 4 HA ASP 4 1.167 -2.278 -1.107
27 1HB ASP 4 2HB ASP 4 1.309 -5.006 0.176
28 2HB ASP 4 1HB ASP 4 1.875 -3.548 0.980
29 HA PRO 5 HA PRO 5 4.995 -3.784 -3.281
30 1HB PRO 5 2HB PRO 5 5.404 -1.423 -4.615
31 2HB PRO 5 1HB PRO 5 4.370 -2.720 -5.232
32 1HG PRO 5 2HG PRO 5 3.578 -0.265 -3.717
33 2HG PRO 5 1HG PRO 5 2.872 -0.935 -5.194
34 1HD PRO 5 2HD PRO 5 1.719 -1.358 -2.841
35 2HD PRO 5 1HD PRO 5 1.793 -2.648 -4.064
36 H CYS 6 H CYS 6 5.825 -0.479 -3.316
37 HA CYS 6 HA CYS 6 7.614 0.545 -2.151
38 1HB CYS 6 2HB CYS 6 6.606 1.398 -0.107
39 2HB CYS 6 1HB CYS 6 5.344 1.170 -1.285
40 HA PRO 7 HA PRO 7 9.794 -2.383 0.399
41 1HB PRO 7 2HB PRO 7 10.303 -1.370 2.863
42 2HB PRO 7 1HB PRO 7 11.003 -0.680 1.386
43 1HG PRO 7 2HG PRO 7 8.972 0.399 3.134
44 2HG PRO 7 1HG PRO 7 9.908 1.204 1.876
45 1HD PRO 7 2HD PRO 7 7.192 0.179 1.770
46 2HD PRO 7 1HD PRO 7 8.064 1.187 0.594
47 H CYS 8 H CYS 8 6.733 -2.296 0.835
48 HA CYS 8 HA CYS 8 6.564 -3.649 3.444
49 1HB CYS 8 2HB CYS 8 4.527 -2.564 1.499
50 2HB CYS 8 1HB CYS 8 4.080 -3.433 2.958
51 H GLY 9 H GLY 9 5.234 -4.191 0.148
52 1HA GLY 9 2HA GLY 9 4.981 -6.200 -1.058
53 2HA GLY 9 1HA GLY 9 6.126 -6.940 0.059
54 H SER 10 H SER 10 2.694 -6.070 -0.319
55 HA SER 10 HA SER 10 1.870 -8.485 1.052
56 1HB SER 10 2HB SER 10 0.992 -7.291 3.006
57 2HB SER 10 1HB SER 10 2.728 -7.063 2.869
58 HG SER 10 HG SER 10 2.423 -5.018 2.368
59 H GLY 11 H GLY 11 -0.431 -6.463 2.031
60 1HA GLY 11 2HA GLY 11 -1.726 -5.893 -0.548
61 2HA GLY 11 1HA GLY 11 -2.515 -7.115 0.445
62 H LYS 12 H LYS 12 -2.035 -5.933 3.010
63 HA LYS 12 HA LYS 12 -3.972 -3.682 2.840
64 1HB LYS 12 2HB LYS 12 -3.194 -5.785 4.799
65 2HB LYS 12 1HB LYS 12 -3.818 -4.270 5.453
66 1HG LYS 12 2HG LYS 12 -5.924 -4.607 4.603
67 2HG LYS 12 1HG LYS 12 -5.327 -5.461 3.180
68 1HD LYS 12 2HD LYS 12 -6.574 -6.924 4.822
69 2HD LYS 12 1HD LYS 12 -4.936 -7.470 4.460
70 1HE LYS 12 2HE LYS 12 -4.147 -6.938 6.571
71 2HE LYS 12 1HE LYS 12 -5.298 -5.602 6.775
72 1HZ LYS 12 1HZ LYS 12 -5.983 -7.474 8.120
73 2HZ LYS 12 2HZ LYS 12 -5.955 -8.501 6.768
74 3HZ LYS 12 3HZ LYS 12 -7.095 -7.246 6.861
75 H LYS 13 H LYS 13 -0.855 -4.509 4.222
76 HA LYS 13 HA LYS 13 -0.160 -2.383 5.794
77 1HB LYS 13 2HB LYS 13 1.372 -4.169 5.335
78 2HB LYS 13 1HB LYS 13 1.400 -3.761 3.618
79 1HG LYS 13 2HG LYS 13 3.405 -2.856 4.541
80 2HG LYS 13 1HG LYS 13 2.325 -1.488 4.300
81 1HD LYS 13 2HD LYS 13 2.482 -0.991 6.488
82 2HD LYS 13 1HD LYS 13 1.774 -2.557 6.882
83 1HE LYS 13 2HE LYS 13 4.004 -3.605 6.821
84 2HE LYS 13 1HE LYS 13 4.730 -2.043 6.393
85 1HZ LYS 13 1HZ LYS 13 3.976 -1.091 8.411
86 2HZ LYS 13 2HZ LYS 13 4.713 -2.561 8.831
87 3HZ LYS 13 3HZ LYS 13 3.019 -2.440 8.784
88 H TYR 14 H TYR 14 1.054 -2.233 2.547
89 HA TYR 14 HA TYR 14 1.616 0.375 2.163
90 1HB TYR 14 2HB TYR 14 1.579 -1.601 0.578
91 2HB TYR 14 1HB TYR 14 -0.099 -1.176 0.253
92 HD1 TYR 14 HD1 TYR 14 3.136 -0.754 -0.926
93 HD2 TYR 14 HD2 TYR 14 -0.391 1.543 -0.079
94 HE1 TYR 14 HE1 TYR 14 3.934 1.034 -2.434
95 HE2 TYR 14 HE2 TYR 14 0.407 3.329 -1.585
96 HH TYR 14 HH TYR 14 3.327 3.805 -2.488
97 H LYS 15 H LYS 15 -1.700 -0.876 1.609
98 HA LYS 15 HA LYS 15 -3.027 1.494 1.043
99 1HB LYS 15 2HB LYS 15 -3.629 -1.117 2.243
100 2HB LYS 15 1HB LYS 15 -4.729 0.151 2.786
101 1HG LYS 15 2HG LYS 15 -4.228 0.351 -0.071
102 2HG LYS 15 1HG LYS 15 -4.863 -1.238 0.357
103 1HD LYS 15 2HD LYS 15 -6.133 1.249 1.483
104 2HD LYS 15 1HD LYS 15 -6.550 0.695 -0.140
105 1HE LYS 15 2HE LYS 15 -7.165 -1.529 0.784
106 2HE LYS 15 1HE LYS 15 -6.797 -0.935 2.416
107 1HZ LYS 15 1HZ LYS 15 -8.487 0.782 0.797
108 2HZ LYS 15 2HZ LYS 15 -8.600 0.391 2.446
109 3HZ LYS 15 3HZ LYS 15 -9.199 -0.683 1.274
110 H GLN 16 H GLN 16 -2.213 0.184 4.250
111 HA GLN 16 HA GLN 16 -3.144 2.606 5.643
112 1HB GLN 16 2HB GLN 16 -1.509 0.291 6.714
113 2HB GLN 16 1HB GLN 16 -2.629 1.322 7.600
114 1HG GLN 16 2HG GLN 16 -3.403 -0.613 5.394
115 2HG GLN 16 1HG GLN 16 -3.634 -0.886 7.119
116 1HE2 GLN 16 1HE2 GLN 16 -5.810 -0.562 7.596
117 2HE2 GLN 16 2HE2 GLN 16 -6.762 0.708 6.994
118 H CYS 17 H CYS 17 -0.160 1.263 4.391
119 HA CYS 17 HA CYS 17 1.556 3.120 5.909
120 1HB CYS 17 2HB CYS 17 2.449 0.947 5.502
121 2HB CYS 17 1HB CYS 17 1.927 0.964 3.826
122 H HIS 18 H HIS 18 1.339 2.459 2.398
123 HA HIS 18 HA HIS 18 1.823 5.367 1.906
124 1HB HIS 18 2HB HIS 18 2.361 2.832 0.361
125 2HB HIS 18 1HB HIS 18 2.616 4.441 -0.317
126 HD1 HIS 18 HD1 HIS 18 4.790 2.149 0.556
127 HD2 HIS 18 HD2 HIS 18 3.982 5.750 2.484
128 HE1 HIS 18 HE1 HIS 18 6.860 2.716 1.891
129 H GLY 19 H GLY 19 -0.839 3.478 2.085
130 1HA GLY 19 2HA GLY 19 -1.994 4.494 -0.476
131 2HA GLY 19 1HA GLY 19 -2.660 3.162 0.463
132 H ARG 20 H ARG 20 -2.119 4.869 2.971
133 HA ARG 20 HA ARG 20 -4.713 6.317 2.836
134 1HB ARG 20 2HB ARG 20 -3.739 4.585 4.626
135 2HB ARG 20 1HB ARG 20 -3.060 6.061 5.314
136 1HG ARG 20 2HG ARG 20 -5.071 6.730 6.085
137 2HG ARG 20 1HG ARG 20 -5.837 6.435 4.523
138 1HD ARG 20 2HD ARG 20 -5.204 3.895 5.713
139 2HD ARG 20 1HD ARG 20 -6.103 4.875 6.889
140 HE ARG 20 HE ARG 20 -7.225 5.068 4.210
141 1HH1 ARG 20 1HH1 ARG 20 -6.755 2.357 6.084
142 2HH1 ARG 20 2HH1 ARG 20 -8.432 1.991 6.315
143 1HH2 ARG 20 1HH2 ARG 20 -9.543 4.975 4.936
144 2HH2 ARG 20 2HH2 ARG 20 -10.012 3.475 5.665
145 H LEU 21 H LEU 21 -3.581 8.045 1.463
146 HA LEU 21 HA LEU 21 -1.855 9.858 3.093
147 1HB LEU 21 2HB LEU 21 -1.127 10.709 0.977
148 2HB LEU 21 1HB LEU 21 -1.248 8.963 0.759
149 HG LEU 21 HG LEU 21 -3.816 9.974 0.193
150 1HD1 LEU 21 1HD1 LEU 21 -2.252 12.145 -0.017
151 2HD1 LEU 21 2HD1 LEU 21 -3.594 11.850 -1.123
152 3HD1 LEU 21 3HD1 LEU 21 -1.948 11.445 -1.608
153 1HD2 LEU 21 1HD2 LEU 21 -1.511 8.878 -1.407
154 2HD2 LEU 21 2HD2 LEU 21 -2.989 9.393 -2.220
155 3HD2 LEU 21 3HD2 LEU 21 -3.048 8.110 -1.012
156 H GLN 22 HN GLN 22 -4.437 9.929 3.970
157 HA GLN 22 HA GLN 22 -6.319 11.335 4.250
158 1HB GLN 22 2HB GLN 22 -3.878 12.895 3.744
159 2HB GLN 22 1HB GLN 22 -5.361 13.795 3.425
160 1HG GLN 22 2HG GLN 22 -6.185 13.394 5.644
161 2HG GLN 22 1HG GLN 22 -4.903 12.226 5.972
162 1HE2 GLN 22 1HE2 GLN 22 -2.656 13.634 4.965
163 2HE2 GLN 22 2HE2 GLN 22 -2.419 15.034 5.896
Start of MODEL 15
1 1H GLY 1 1HT GLY 1 -5.255 -11.271 -5.165
2 2H GLY 1 2HT GLY 1 -4.537 -10.052 -6.107
3 3H GLY 1 3HT GLY 1 -6.090 -10.623 -6.492
4 1HA GLY 1 2HA GLY 1 -6.366 -8.535 -5.433
5 2HA GLY 1 1HA GLY 1 -6.872 -9.788 -4.297
6 H ARG 2 H ARG 2 -4.285 -7.552 -5.115
7 HA ARG 2 HA ARG 2 -3.579 -7.024 -2.396
8 1HB ARG 2 2HB ARG 2 -2.356 -8.858 -1.929
9 2HB ARG 2 1HB ARG 2 -2.581 -9.465 -3.558
10 1HG ARG 2 2HG ARG 2 -0.667 -7.915 -4.248
11 2HG ARG 2 1HG ARG 2 -0.359 -7.700 -2.524
12 1HD ARG 2 2HD ARG 2 0.832 -9.630 -2.553
13 2HD ARG 2 1HD ARG 2 -0.655 -10.500 -2.977
14 HE ARG 2 HE ARG 2 -0.122 -9.772 -5.393
15 1HH1 ARG 2 1HH2 ARG 2 2.454 -8.660 -3.736
16 2HH1 ARG 2 2HH2 ARG 2 3.653 -9.663 -4.481
17 1HH2 ARG 2 1HH1 ARG 2 1.340 -11.732 -6.034
18 2HH2 ARG 2 2HH1 ARG 2 3.023 -11.407 -5.779
19 H ASN 3 H ASN 3 -2.036 -5.325 -2.321
20 HA ASN 3 HA ASN 3 -0.428 -4.848 -4.691
21 1HB ASN 3 2HB ASN 3 -2.014 -2.453 -4.000
22 2HB ASN 3 1HB ASN 3 -1.573 -3.073 -5.587
23 1HD2 ASN 3 1HD2 ASN 3 -3.420 -3.606 -6.758
24 2HD2 ASN 3 2HD2 ASN 3 -4.821 -4.311 -6.109
25 H ASP 4 H ASP 4 0.766 -5.279 -2.327
26 HA ASP 4 HA ASP 4 1.191 -2.555 -1.161
27 1HB ASP 4 2HB ASP 4 1.636 -5.318 -0.036
28 2HB ASP 4 1HB ASP 4 1.976 -3.822 0.827
29 HA PRO 5 HA PRO 5 4.977 -3.723 -3.580
30 1HB PRO 5 2HB PRO 5 5.157 -1.279 -4.823
31 2HB PRO 5 1HB PRO 5 4.160 -2.600 -5.450
32 1HG PRO 5 2HG PRO 5 3.323 -0.284 -3.746
33 2HG PRO 5 1HG PRO 5 2.574 -0.896 -5.226
34 1HD PRO 5 2HD PRO 5 1.579 -1.530 -2.854
35 2HD PRO 5 1HD PRO 5 1.656 -2.739 -4.157
36 H CYS 6 H CYS 6 5.762 -0.473 -3.549
37 HA CYS 6 HA CYS 6 7.480 0.585 -2.308
38 1HB CYS 6 2HB CYS 6 6.283 1.522 -0.392
39 2HB CYS 6 1HB CYS 6 5.151 1.253 -1.683
40 HA PRO 7 HA PRO 7 9.418 -2.182 0.623
41 1HB PRO 7 2HB PRO 7 9.642 -1.031 3.075
42 2HB PRO 7 1HB PRO 7 10.505 -0.422 1.648
43 1HG PRO 7 2HG PRO 7 8.305 0.752 3.096
44 2HG PRO 7 1HG PRO 7 9.360 1.477 1.882
45 1HD PRO 7 2HD PRO 7 6.666 0.406 1.578
46 2HD PRO 7 1HD PRO 7 7.638 1.366 0.442
47 H CYS 8 H CYS 8 6.348 -2.164 0.683
48 HA CYS 8 HA CYS 8 5.817 -3.289 3.343
49 1HB CYS 8 2HB CYS 8 4.181 -2.530 0.934
50 2HB CYS 8 1HB CYS 8 3.468 -3.483 2.229
51 H GLY 9 H GLY 9 5.884 -4.279 -0.076
52 1HA GLY 9 2HA GLY 9 5.723 -6.439 -1.036
53 2HA GLY 9 1HA GLY 9 6.843 -6.863 0.257
54 H SER 10 H SER 10 3.304 -6.195 -0.048
55 HA SER 10 HA SER 10 2.672 -8.796 1.088
56 1HB SER 10 2HB SER 10 2.231 -8.082 3.236
57 2HB SER 10 1HB SER 10 3.574 -7.029 2.843
58 HG SER 10 HG SER 10 2.249 -5.370 2.767
59 H GLY 11 H GLY 11 0.272 -7.292 2.341
60 1HA GLY 11 2HA GLY 11 -1.195 -6.409 -0.069
61 2HA GLY 11 1HA GLY 11 -1.842 -7.800 0.800
62 H LYS 12 H LYS 12 -2.984 -5.067 0.435
63 HA LYS 12 HA LYS 12 -4.286 -3.599 1.739
64 1HB LYS 12 2HB LYS 12 -3.784 -5.990 3.365
65 2HB LYS 12 1HB LYS 12 -4.193 -4.556 4.308
66 1HG LYS 12 2HG LYS 12 -6.246 -4.247 3.092
67 2HG LYS 12 1HG LYS 12 -5.801 -5.483 1.916
68 1HD LYS 12 2HD LYS 12 -6.413 -5.911 4.854
69 2HD LYS 12 1HD LYS 12 -7.376 -6.456 3.481
70 1HE LYS 12 2HE LYS 12 -4.924 -7.544 2.876
71 2HE LYS 12 1HE LYS 12 -4.950 -7.661 4.648
72 1HZ LYS 12 1HZ LYS 12 -7.328 -8.450 4.349
73 2HZ LYS 12 2HZ LYS 12 -6.104 -9.548 3.921
74 3HZ LYS 12 3HZ LYS 12 -6.942 -8.689 2.716
75 H LYS 13 H LYS 13 -1.590 -4.649 3.744
76 HA LYS 13 HA LYS 13 -0.973 -2.673 5.400
77 1HB LYS 13 2HB LYS 13 0.487 -4.553 4.983
78 2HB LYS 13 1HB LYS 13 0.870 -3.932 3.378
79 1HG LYS 13 2HG LYS 13 2.702 -3.121 4.504
80 2HG LYS 13 1HG LYS 13 1.589 -1.788 4.811
81 1HD LYS 13 2HD LYS 13 1.101 -3.797 6.781
82 2HD LYS 13 1HD LYS 13 2.842 -3.517 6.716
83 1HE LYS 13 2HE LYS 13 2.505 -1.107 7.015
84 2HE LYS 13 1HE LYS 13 0.746 -1.334 6.996
85 1HZ LYS 13 1HZ LYS 13 1.465 -1.336 9.264
86 2HZ LYS 13 2HZ LYS 13 2.674 -2.485 8.941
87 3HZ LYS 13 3HZ LYS 13 1.036 -2.926 8.855
88 H TYR 14 H TYR 14 0.046 -2.395 2.049
89 HA TYR 14 HA TYR 14 1.094 0.152 1.975
90 1HB TYR 14 2HB TYR 14 0.687 -1.572 0.168
91 2HB TYR 14 1HB TYR 14 -0.923 -0.883 0.006
92 HD1 TYR 14 HD1 TYR 14 -1.069 1.694 -0.293
93 HD2 TYR 14 HD2 TYR 14 2.520 -0.570 -0.978
94 HE1 TYR 14 HE1 TYR 14 -0.151 3.560 -1.627
95 HE2 TYR 14 HE2 TYR 14 3.433 1.298 -2.320
96 HH TYR 14 HH TYR 14 1.513 4.249 -2.917
97 H LYS 15 H LYS 15 -2.400 -0.570 1.535
98 HA LYS 15 HA LYS 15 -3.396 2.020 1.378
99 1HB LYS 15 2HB LYS 15 -4.320 -0.627 2.148
100 2HB LYS 15 1HB LYS 15 -5.137 0.615 3.097
101 1HG LYS 15 2HG LYS 15 -5.137 1.698 0.549
102 2HG LYS 15 1HG LYS 15 -5.395 -0.021 0.245
103 1HD LYS 15 2HD LYS 15 -7.347 -0.081 1.593
104 2HD LYS 15 1HD LYS 15 -6.973 1.472 2.344
105 1HE LYS 15 2HE LYS 15 -7.143 2.430 -0.081
106 2HE LYS 15 1HE LYS 15 -8.027 0.930 -0.429
107 1HZ LYS 15 1HZ LYS 15 -8.708 3.088 1.449
108 2HZ LYS 15 2HZ LYS 15 -9.215 1.504 1.793
109 3HZ LYS 15 3HZ LYS 15 -9.708 2.264 0.357
110 H GLN 16 H GLN 16 -2.577 0.180 4.324
111 HA GLN 16 HA GLN 16 -3.138 2.456 6.099
112 1HB GLN 16 2HB GLN 16 -1.602 -0.097 6.664
113 2HB GLN 16 1HB GLN 16 -2.481 0.901 7.820
114 1HG GLN 16 2HG GLN 16 -3.936 -0.325 5.489
115 2HG GLN 16 1HG GLN 16 -3.598 -1.290 6.925
116 1HE2 GLN 16 1HE2 GLN 16 -6.261 -0.325 5.972
117 2HE2 GLN 16 2HE2 GLN 16 -6.893 0.612 7.239
118 H CYS 17 H CYS 17 -0.448 1.247 4.263
119 HA CYS 17 HA CYS 17 1.531 2.804 5.844
120 1HB CYS 17 2HB CYS 17 2.150 0.565 5.155
121 2HB CYS 17 1HB CYS 17 1.671 0.897 3.498
122 H HIS 18 H HIS 18 1.113 2.410 2.312
123 HA HIS 18 HA HIS 18 1.711 5.314 1.988
124 1HB HIS 18 2HB HIS 18 1.885 2.841 0.281
125 2HB HIS 18 1HB HIS 18 1.982 4.445 -0.445
126 HD1 HIS 18 HD1 HIS 18 4.301 2.145 0.086
127 HD2 HIS 18 HD2 HIS 18 3.869 5.855 1.923
128 HE1 HIS 18 HE1 HIS 18 6.584 2.765 0.990
129 H GLY 19 H GLY 19 -1.042 3.612 2.389
130 1HA GLY 19 2HA GLY 19 -2.554 4.368 0.036
131 2HA GLY 19 1HA GLY 19 -3.240 3.821 1.567
132 H ARG 20 H ARG 20 -1.892 5.838 3.170
133 HA ARG 20 HA ARG 20 -3.027 8.400 2.150
134 1HB ARG 20 2HB ARG 20 -4.520 6.802 3.704
135 2HB ARG 20 1HB ARG 20 -3.583 7.586 4.974
136 1HG ARG 20 2HG ARG 20 -4.279 9.788 4.190
137 2HG ARG 20 1HG ARG 20 -5.124 9.066 2.821
138 1HD ARG 20 2HD ARG 20 -6.190 7.707 5.008
139 2HD ARG 20 1HD ARG 20 -6.031 9.378 5.586
140 HE ARG 20 HE ARG 20 -7.138 9.085 2.871
141 1HH1 ARG 20 1HH2 ARG 20 -7.394 11.141 5.318
142 2HH1 ARG 20 2HH2 ARG 20 -9.106 11.036 5.555
143 1HH2 ARG 20 1HH1 ARG 20 -9.473 8.207 3.583
144 2HH2 ARG 20 2HH1 ARG 20 -10.284 9.376 4.570
145 H LEU 21 H LEU 21 -2.658 9.192 5.164
146 HA LEU 21 HA LEU 21 -0.950 10.338 6.334
147 1HB LEU 21 2HB LEU 21 0.079 7.645 5.502
148 2HB LEU 21 1HB LEU 21 1.187 8.757 6.310
149 HG LEU 21 HG LEU 21 -1.510 7.865 7.375
150 1HD1 LEU 21 1HD1 LEU 21 0.238 6.116 7.455
151 2HD1 LEU 21 2HD1 LEU 21 -0.167 6.694 9.072
152 3HD1 LEU 21 3HD1 LEU 21 1.315 7.239 8.285
153 1HD2 LEU 21 1HD2 LEU 21 -1.360 9.787 8.569
154 2HD2 LEU 21 2HD2 LEU 21 0.300 10.071 8.046
155 3HD2 LEU 21 3HD2 LEU 21 -0.024 9.017 9.423
156 H GLN 22 HN GLN 22 -1.195 11.501 3.868
157 HA GLN 22 HA GLN 22 0.003 12.765 2.263
158 1HB GLN 22 2HB GLN 22 0.999 13.268 4.638
159 2HB GLN 22 1HB GLN 22 2.386 12.349 4.058
160 1HG GLN 22 2HG GLN 22 1.730 14.098 1.956
161 2HG GLN 22 1HG GLN 22 1.606 15.067 3.425
162 1HE2 GLN 22 1HE2 GLN 22 3.842 12.674 1.903
163 2HE2 GLN 22 2HE2 GLN 22 5.256 13.411 2.484
Start of MODEL 16
1 1H GLY 1 1HT GLY 1 -5.432 -8.622 -5.368
2 2H GLY 1 2HT GLY 1 -7.050 -8.838 -5.840
3 3H GLY 1 3HT GLY 1 -6.368 -9.845 -4.656
4 1HA GLY 1 2HA GLY 1 -7.255 -7.052 -4.442
5 2HA GLY 1 1HA GLY 1 -7.556 -8.406 -3.351
6 H ARG 2 H ARG 2 -4.582 -9.116 -3.698
7 HA ARG 2 HA ARG 2 -3.651 -7.446 -1.442
8 1HB ARG 2 2HB ARG 2 -2.349 -9.757 -2.922
9 2HB ARG 2 1HB ARG 2 -1.891 -9.140 -1.335
10 1HG ARG 2 2HG ARG 2 -4.726 -9.999 -1.748
11 2HG ARG 2 1HG ARG 2 -3.492 -11.249 -1.569
12 1HD ARG 2 2HD ARG 2 -2.994 -10.631 0.626
13 2HD ARG 2 1HD ARG 2 -3.543 -8.959 0.385
14 HE ARG 2 HE ARG 2 -5.885 -9.919 0.224
15 1HH1 ARG 2 1HH1 ARG 2 -4.080 -10.419 2.853
16 2HH1 ARG 2 2HH1 ARG 2 -4.785 -11.924 3.345
17 1HH2 ARG 2 1HH2 ARG 2 -6.489 -12.405 0.364
18 2HH2 ARG 2 2HH2 ARG 2 -6.149 -13.048 1.935
19 H ASN 3 H ASN 3 -2.344 -5.676 -1.782
20 HA ASN 3 HA ASN 3 -0.423 -5.675 -4.033
21 1HB ASN 3 2HB ASN 3 -2.148 -3.256 -3.859
22 2HB ASN 3 1HB ASN 3 -1.428 -4.019 -5.273
23 1HD2 ASN 3 1HD2 ASN 3 -2.513 -6.072 -6.057
24 2HD2 ASN 3 2HD2 ASN 3 -4.178 -6.267 -5.789
25 H ASP 4 H ASP 4 0.813 -5.711 -1.825
26 HA ASP 4 HA ASP 4 0.980 -2.930 -0.720
27 1HB ASP 4 2HB ASP 4 1.568 -5.673 0.298
28 2HB ASP 4 1HB ASP 4 2.340 -4.288 1.049
29 HA PRO 5 HA PRO 5 4.765 -3.764 -3.354
30 1HB PRO 5 2HB PRO 5 4.717 -1.331 -4.627
31 2HB PRO 5 1HB PRO 5 3.862 -2.759 -5.223
32 1HG PRO 5 2HG PRO 5 2.798 -0.487 -3.596
33 2HG PRO 5 1HG PRO 5 2.103 -1.252 -5.038
34 1HD PRO 5 2HD PRO 5 1.212 -1.878 -2.600
35 2HD PRO 5 1HD PRO 5 1.381 -3.122 -3.858
36 H CYS 6 H CYS 6 5.204 -0.402 -3.347
37 HA CYS 6 HA CYS 6 6.896 0.792 -2.196
38 1HB CYS 6 2HB CYS 6 5.841 1.518 -0.130
39 2HB CYS 6 1HB CYS 6 4.585 1.151 -1.281
40 HA PRO 7 HA PRO 7 9.420 -1.913 0.305
41 1HB PRO 7 2HB PRO 7 9.891 -0.816 2.741
42 2HB PRO 7 1HB PRO 7 10.482 -0.084 1.237
43 1HG PRO 7 2HG PRO 7 8.408 0.824 3.028
44 2HG PRO 7 1HG PRO 7 9.220 1.691 1.725
45 1HD PRO 7 2HD PRO 7 6.617 0.390 1.726
46 2HD PRO 7 1HD PRO 7 7.340 1.471 0.515
47 H CYS 8 H CYS 8 6.389 -2.156 0.806
48 HA CYS 8 HA CYS 8 6.452 -3.461 3.454
49 1HB CYS 8 2HB CYS 8 4.225 -2.635 1.588
50 2HB CYS 8 1HB CYS 8 3.947 -3.498 3.095
51 H GLY 9 H GLY 9 5.495 -4.110 0.078
52 1HA GLY 9 2HA GLY 9 5.189 -6.133 -1.071
53 2HA GLY 9 1HA GLY 9 6.508 -6.732 -0.064
54 H SER 10 H SER 10 2.998 -6.472 -0.306
55 HA SER 10 HA SER 10 2.614 -8.935 1.108
56 1HB SER 10 2HB SER 10 1.665 -7.927 3.141
57 2HB SER 10 1HB SER 10 3.341 -7.457 2.915
58 HG SER 10 HG SER 10 2.715 -5.479 2.777
59 H GLY 11 H GLY 11 0.061 -7.130 2.168
60 1HA GLY 11 2HA GLY 11 -1.447 -7.595 -0.375
61 2HA GLY 11 1HA GLY 11 -2.130 -7.931 1.209
62 H LYS 12 H LYS 12 -2.413 -5.939 2.662
63 HA LYS 12 HA LYS 12 -3.286 -3.628 0.975
64 1HB LYS 12 2HB LYS 12 -4.186 -4.679 3.660
65 2HB LYS 12 1HB LYS 12 -4.878 -3.283 2.851
66 1HG LYS 12 2HG LYS 12 -6.011 -4.558 1.325
67 2HG LYS 12 1HG LYS 12 -4.721 -5.758 1.229
68 1HD LYS 12 2HD LYS 12 -6.707 -5.467 3.504
69 2HD LYS 12 1HD LYS 12 -6.713 -6.739 2.283
70 1HE LYS 12 2HE LYS 12 -4.377 -7.371 3.066
71 2HE LYS 12 1HE LYS 12 -4.617 -6.260 4.427
72 1HZ LYS 12 1HZ LYS 12 -6.929 -7.562 4.449
73 2HZ LYS 12 2HZ LYS 12 -5.580 -8.056 5.356
74 3HZ LYS 12 3HZ LYS 12 -5.922 -8.796 3.865
75 H LYS 13 H LYS 13 -1.189 -4.542 3.478
76 HA LYS 13 HA LYS 13 -0.758 -2.615 5.268
77 1HB LYS 13 2HB LYS 13 1.323 -3.623 3.327
78 2HB LYS 13 1HB LYS 13 1.689 -2.879 4.883
79 1HG LYS 13 2HG LYS 13 -0.196 -5.202 4.825
80 2HG LYS 13 1HG LYS 13 1.527 -5.515 4.645
81 1HD LYS 13 2HD LYS 13 1.484 -5.534 6.930
82 2HD LYS 13 1HD LYS 13 1.590 -3.786 6.730
83 1HE LYS 13 2HE LYS 13 -0.957 -3.735 6.720
84 2HE LYS 13 1HE LYS 13 -0.907 -5.435 7.225
85 1HZ LYS 13 1HZ LYS 13 0.395 -4.870 9.117
86 2HZ LYS 13 2HZ LYS 13 -0.936 -3.815 9.104
87 3HZ LYS 13 3HZ LYS 13 0.590 -3.268 8.596
88 H TYR 14 H TYR 14 0.249 -2.184 1.954
89 HA TYR 14 HA TYR 14 1.272 0.387 1.963
90 1HB TYR 14 2HB TYR 14 0.934 -1.315 0.109
91 2HB TYR 14 1HB TYR 14 -0.709 -0.694 -0.035
92 HD1 TYR 14 HD1 TYR 14 2.504 -0.397 -1.320
93 HD2 TYR 14 HD2 TYR 14 -0.775 2.035 0.009
94 HE1 TYR 14 HE1 TYR 14 3.374 1.498 -2.652
95 HE2 TYR 14 HE2 TYR 14 0.092 3.931 -1.322
96 HH TYR 14 HH TYR 14 3.223 3.917 -2.725
97 H LYS 15 H LYS 15 -2.189 -0.467 1.483
98 HA LYS 15 HA LYS 15 -3.247 2.125 1.385
99 1HB LYS 15 2HB LYS 15 -4.128 -0.583 2.191
100 2HB LYS 15 1HB LYS 15 -5.096 0.726 2.868
101 1HG LYS 15 2HG LYS 15 -4.391 0.795 -0.047
102 2HG LYS 15 1HG LYS 15 -5.694 -0.263 0.495
103 1HD LYS 15 2HD LYS 15 -6.820 1.654 1.559
104 2HD LYS 15 1HD LYS 15 -5.513 2.717 1.037
105 1HE LYS 15 2HE LYS 15 -6.047 2.316 -1.308
106 2HE LYS 15 1HE LYS 15 -7.266 1.108 -0.857
107 1HZ LYS 15 1HZ LYS 15 -7.294 3.929 0.073
108 2HZ LYS 15 2HZ LYS 15 -8.502 2.761 0.320
109 3HZ LYS 15 3HZ LYS 15 -8.203 3.362 -1.240
110 H GLN 16 H GLN 16 -2.552 0.141 4.265
111 HA GLN 16 HA GLN 16 -3.211 2.283 6.145
112 1HB GLN 16 2HB GLN 16 -1.617 -0.245 6.634
113 2HB GLN 16 1HB GLN 16 -2.640 0.624 7.776
114 1HG GLN 16 2HG GLN 16 -4.071 -0.242 5.353
115 2HG GLN 16 1HG GLN 16 -3.422 -1.575 6.303
116 1HE2 GLN 16 1HE2 GLN 16 -5.757 -2.060 6.833
117 2HE2 GLN 16 2HE2 GLN 16 -6.516 -1.178 8.068
118 H CYS 17 H CYS 17 -0.438 1.391 4.299
119 HA CYS 17 HA CYS 17 1.406 2.878 6.120
120 1HB CYS 17 2HB CYS 17 2.140 0.670 5.546
121 2HB CYS 17 1HB CYS 17 1.732 0.905 3.847
122 H HIS 18 H HIS 18 1.216 2.479 2.569
123 HA HIS 18 HA HIS 18 1.913 5.361 2.276
124 1HB HIS 18 2HB HIS 18 2.047 2.906 0.520
125 2HB HIS 18 1HB HIS 18 2.335 4.526 -0.118
126 HD1 HIS 18 HD1 HIS 18 4.790 3.091 -0.412
127 HD2 HIS 18 HD2 HIS 18 3.772 4.597 3.340
128 HE1 HIS 18 HE1 HIS 18 6.940 3.219 0.916
129 H GLY 19 H GLY 19 -0.884 3.744 2.591
130 1HA GLY 19 2HA GLY 19 -2.314 4.574 0.196
131 2HA GLY 19 1HA GLY 19 -3.045 3.956 1.677
132 H ARG 20 H ARG 20 -2.360 5.699 3.600
133 HA ARG 20 HA ARG 20 -4.074 7.910 3.310
134 1HB ARG 20 2HB ARG 20 -2.906 8.731 5.319
135 2HB ARG 20 1HB ARG 20 -3.139 6.985 5.419
136 1HG ARG 20 2HG ARG 20 -0.788 6.822 4.334
137 2HG ARG 20 1HG ARG 20 -0.611 8.510 4.812
138 1HD ARG 20 2HD ARG 20 -1.329 6.249 6.715
139 2HD ARG 20 1HD ARG 20 0.281 6.979 6.560
140 HE ARG 20 HE ARG 20 -0.856 9.182 7.147
141 1HH1 ARG 20 1HH1 ARG 20 -1.446 6.203 8.634
142 2HH1 ARG 20 2HH1 ARG 20 -2.716 6.780 9.661
143 1HH2 ARG 20 1HH2 ARG 20 -2.841 9.917 8.188
144 2HH2 ARG 20 2HH2 ARG 20 -3.503 8.883 9.410
145 H LEU 21 H LEU 21 -3.831 9.944 2.408
146 HA LEU 21 HA LEU 21 -1.177 10.565 1.160
147 1HB LEU 21 2HB LEU 21 -3.952 10.624 0.312
148 2HB LEU 21 1HB LEU 21 -3.207 12.210 0.107
149 HG LEU 21 HG LEU 21 -2.884 10.821 -1.907
150 1HD1 LEU 21 1HD1 LEU 21 -0.131 10.715 -1.016
151 2HD1 LEU 21 2HD1 LEU 21 -0.905 12.190 -0.439
152 3HD1 LEU 21 3HD1 LEU 21 -0.882 11.823 -2.164
153 1HD2 LEU 21 1HD2 LEU 21 -2.178 8.848 0.138
154 2HD2 LEU 21 2HD2 LEU 21 -0.971 8.945 -1.146
155 3HD2 LEU 21 3HD2 LEU 21 -2.655 8.596 -1.541
156 H GLN 22 HN GLN 22 -0.568 11.442 3.379
157 HA GLN 22 HA GLN 22 -1.775 13.470 4.825
158 1HB GLN 22 2HB GLN 22 1.037 12.749 4.092
159 2HB GLN 22 1HB GLN 22 0.775 14.264 4.956
160 1HG GLN 22 2HG GLN 22 -0.040 13.203 6.856
161 2HG GLN 22 1HG GLN 22 -0.570 11.780 5.958
162 1HE2 GLN 22 1HE2 GLN 22 2.657 13.366 5.895
163 2HE2 GLN 22 2HE2 GLN 22 3.506 12.003 6.442
Start of MODEL 17
1 1H GLY 1 1HT GLY 1 -8.341 -3.194 0.211
2 2H GLY 1 2HT GLY 1 -8.523 -1.647 -0.467
3 3H GLY 1 3HT GLY 1 -7.062 -2.084 0.282
4 1HA GLY 1 2HA GLY 1 -8.141 -3.434 -2.130
5 2HA GLY 1 1HA GLY 1 -6.977 -2.110 -2.189
6 H ARG 2 H ARG 2 -5.428 -3.611 -3.153
7 HA ARG 2 HA ARG 2 -4.088 -5.295 -1.075
8 1HB ARG 2 2HB ARG 2 -4.826 -6.019 -3.929
9 2HB ARG 2 1HB ARG 2 -3.762 -6.995 -2.914
10 1HG ARG 2 2HG ARG 2 -5.735 -8.027 -2.365
11 2HG ARG 2 1HG ARG 2 -5.834 -6.697 -1.211
12 1HD ARG 2 2HD ARG 2 -7.950 -6.783 -2.389
13 2HD ARG 2 1HD ARG 2 -7.066 -5.379 -3.019
14 HE ARG 2 HE ARG 2 -6.398 -7.759 -4.512
15 1HH1 ARG 2 1HH1 ARG 2 -9.469 -7.606 -4.325
16 2HH1 ARG 2 2HH1 ARG 2 -9.832 -6.742 -5.782
17 1HH2 ARG 2 1HH2 ARG 2 -6.573 -5.667 -6.273
18 2HH2 ARG 2 2HH2 ARG 2 -8.193 -5.647 -6.885
19 H ASN 3 H ASN 3 -2.520 -5.976 -3.835
20 HA ASN 3 HA ASN 3 -0.301 -5.363 -4.455
21 1HB ASN 3 2HB ASN 3 -1.787 -2.778 -4.879
22 2HB ASN 3 1HB ASN 3 -0.470 -3.421 -5.849
23 1HD2 ASN 3 1HD2 ASN 3 -1.793 -3.421 -7.808
24 2HD2 ASN 3 2HD2 ASN 3 -3.036 -4.555 -8.033
25 H ASP 4 H ASP 4 0.774 -5.285 -2.319
26 HA ASP 4 HA ASP 4 1.005 -2.492 -1.254
27 1HB ASP 4 2HB ASP 4 1.416 -5.206 0.024
28 2HB ASP 4 1HB ASP 4 1.704 -3.674 0.845
29 HA PRO 5 HA PRO 5 4.958 -3.802 -3.406
30 1HB PRO 5 2HB PRO 5 5.266 -1.387 -4.685
31 2HB PRO 5 1HB PRO 5 4.326 -2.728 -5.354
32 1HG PRO 5 2HG PRO 5 3.343 -0.384 -3.764
33 2HG PRO 5 1HG PRO 5 2.734 -1.005 -5.304
34 1HD PRO 5 2HD PRO 5 1.485 -1.656 -3.084
35 2HD PRO 5 1HD PRO 5 1.797 -2.905 -4.309
36 H CYS 6 H CYS 6 5.656 -0.479 -3.366
37 HA CYS 6 HA CYS 6 7.352 0.595 -2.128
38 1HB CYS 6 2HB CYS 6 6.245 1.398 -0.125
39 2HB CYS 6 1HB CYS 6 5.031 1.119 -1.343
40 HA PRO 7 HA PRO 7 9.570 -2.244 0.492
41 1HB PRO 7 2HB PRO 7 9.982 -1.182 2.954
42 2HB PRO 7 1HB PRO 7 10.693 -0.486 1.484
43 1HG PRO 7 2HG PRO 7 8.584 0.542 3.171
44 2HG PRO 7 1HG PRO 7 9.523 1.363 1.924
45 1HD PRO 7 2HD PRO 7 6.846 0.241 1.766
46 2HD PRO 7 1HD PRO 7 7.711 1.268 0.601
47 H CYS 8 H CYS 8 6.513 -2.297 0.829
48 HA CYS 8 HA CYS 8 6.320 -3.588 3.471
49 1HB CYS 8 2HB CYS 8 4.314 -2.663 1.415
50 2HB CYS 8 1HB CYS 8 3.844 -3.546 2.860
51 H GLY 9 H GLY 9 5.508 -4.253 0.050
52 1HA GLY 9 2HA GLY 9 5.283 -6.287 -1.102
53 2HA GLY 9 1HA GLY 9 6.489 -6.908 0.023
54 H SER 10 H SER 10 2.977 -6.143 -0.068
55 HA SER 10 HA SER 10 2.340 -8.761 1.021
56 1HB SER 10 2HB SER 10 1.650 -7.946 3.171
57 2HB SER 10 1HB SER 10 3.286 -7.367 2.906
58 HG SER 10 HG SER 10 2.316 -5.536 3.414
59 H GLY 11 H GLY 11 0.004 -7.218 2.373
60 1HA GLY 11 2HA GLY 11 -1.520 -6.328 -0.005
61 2HA GLY 11 1HA GLY 11 -2.177 -7.664 0.943
62 H LYS 12 H LYS 12 -3.223 -4.879 0.554
63 HA LYS 12 HA LYS 12 -4.344 -3.288 1.878
64 1HB LYS 12 2HB LYS 12 -3.704 -5.429 3.908
65 2HB LYS 12 1HB LYS 12 -4.668 -4.009 4.298
66 1HG LYS 12 2HG LYS 12 -6.001 -4.717 2.121
67 2HG LYS 12 1HG LYS 12 -5.326 -6.304 2.494
68 1HD LYS 12 2HD LYS 12 -6.799 -4.607 4.523
69 2HD LYS 12 1HD LYS 12 -7.580 -5.853 3.548
70 1HE LYS 12 2HE LYS 12 -5.851 -7.494 4.439
71 2HE LYS 12 1HE LYS 12 -5.363 -6.229 5.586
72 1HZ LYS 12 1HZ LYS 12 -7.046 -7.036 6.815
73 2HZ LYS 12 2HZ LYS 12 -7.800 -7.794 5.495
74 3HZ LYS 12 3HZ LYS 12 -8.033 -6.134 5.773
75 H LYS 13 H LYS 13 -1.677 -4.494 3.838
76 HA LYS 13 HA LYS 13 -0.781 -2.579 5.402
77 1HB LYS 13 2HB LYS 13 0.595 -4.460 4.970
78 2HB LYS 13 1HB LYS 13 0.742 -4.036 3.265
79 1HG LYS 13 2HG LYS 13 2.805 -3.439 4.415
80 2HG LYS 13 1HG LYS 13 1.966 -1.968 3.924
81 1HD LYS 13 2HD LYS 13 2.567 -1.525 6.159
82 2HD LYS 13 1HD LYS 13 0.889 -2.051 6.286
83 1HE LYS 13 2HE LYS 13 1.826 -4.423 6.654
84 2HE LYS 13 1HE LYS 13 3.390 -3.630 6.922
85 1HZ LYS 13 1HZ LYS 13 2.581 -2.437 8.715
86 2HZ LYS 13 2HZ LYS 13 1.811 -3.937 8.920
87 3HZ LYS 13 3HZ LYS 13 0.960 -2.626 8.257
88 H TYR 14 H TYR 14 0.525 -2.328 2.172
89 HA TYR 14 HA TYR 14 1.499 0.204 2.060
90 1HB TYR 14 2HB TYR 14 1.233 -1.552 0.271
91 2HB TYR 14 1HB TYR 14 -0.397 -0.941 0.012
92 HD1 TYR 14 HD1 TYR 14 2.830 -0.749 -1.244
93 HD2 TYR 14 HD2 TYR 14 -0.398 1.833 -0.064
94 HE1 TYR 14 HE1 TYR 14 3.748 1.063 -2.662
95 HE2 TYR 14 HE2 TYR 14 0.528 3.639 -1.474
96 HH TYR 14 HH TYR 14 2.353 4.308 -2.642
97 H LYS 15 H LYS 15 -1.980 -0.492 1.424
98 HA LYS 15 HA LYS 15 -2.933 2.108 1.139
99 1HB LYS 15 2HB LYS 15 -4.073 -0.281 2.617
100 2HB LYS 15 1HB LYS 15 -5.020 1.158 2.244
101 1HG LYS 15 2HG LYS 15 -3.780 -0.812 0.318
102 2HG LYS 15 1HG LYS 15 -5.472 -0.340 0.458
103 1HD LYS 15 2HD LYS 15 -4.648 2.043 -0.140
104 2HD LYS 15 1HD LYS 15 -3.171 1.243 -0.680
105 1HE LYS 15 2HE LYS 15 -4.645 -0.269 -2.111
106 2HE LYS 15 1HE LYS 15 -5.984 0.833 -1.735
107 1HZ LYS 15 1HZ LYS 15 -3.363 1.796 -2.730
108 2HZ LYS 15 2HZ LYS 15 -4.830 2.650 -2.649
109 3HZ LYS 15 3HZ LYS 15 -4.633 1.398 -3.781
110 H GLN 16 H GLN 16 -2.381 0.346 4.187
111 HA GLN 16 HA GLN 16 -2.982 2.679 5.848
112 1HB GLN 16 2HB GLN 16 -1.617 0.055 6.532
113 2HB GLN 16 1HB GLN 16 -2.464 1.128 7.645
114 1HG GLN 16 2HG GLN 16 -3.998 0.131 5.287
115 2HG GLN 16 1HG GLN 16 -3.652 -1.025 6.574
116 1HE2 GLN 16 1HE2 GLN 16 -3.989 0.211 8.911
117 2HE2 GLN 16 2HE2 GLN 16 -5.490 0.996 9.035
118 H CYS 17 H CYS 17 -0.223 1.487 4.163
119 HA CYS 17 HA CYS 17 1.673 2.969 5.928
120 1HB CYS 17 2HB CYS 17 2.295 0.705 5.456
121 2HB CYS 17 1HB CYS 17 1.926 0.892 3.742
122 H HIS 18 H HIS 18 1.422 2.451 2.390
123 HA HIS 18 HA HIS 18 2.305 5.278 2.005
124 1HB HIS 18 2HB HIS 18 2.449 2.726 0.407
125 2HB HIS 18 1HB HIS 18 2.770 4.292 -0.341
126 HD1 HIS 18 HD1 HIS 18 5.239 2.940 -0.507
127 HD2 HIS 18 HD2 HIS 18 4.088 4.482 3.192
128 HE1 HIS 18 HE1 HIS 18 7.342 3.082 0.897
129 H GLY 19 H GLY 19 -0.584 3.796 2.242
130 1HA GLY 19 2HA GLY 19 -1.725 5.030 -0.218
131 2HA GLY 19 1HA GLY 19 -2.545 3.839 0.786
132 H ARG 20 H ARG 20 -1.331 5.656 3.109
133 HA ARG 20 HA ARG 20 -2.331 7.247 4.556
134 1HB ARG 20 2HB ARG 20 -1.352 8.575 2.652
135 2HB ARG 20 1HB ARG 20 -2.935 8.538 1.876
136 1HG ARG 20 2HG ARG 20 -3.827 9.513 4.105
137 2HG ARG 20 1HG ARG 20 -2.139 9.892 4.451
138 1HD ARG 20 2HD ARG 20 -2.731 11.850 3.353
139 2HD ARG 20 1HD ARG 20 -2.285 10.875 1.938
140 HE ARG 20 HE ARG 20 -4.927 10.188 2.382
141 1HH1 ARG 20 1HH2 ARG 20 -5.231 12.941 3.551
142 2HH1 ARG 20 2HH2 ARG 20 -5.654 13.878 2.158
143 1HH2 ARG 20 1HH1 ARG 20 -4.601 11.472 -0.108
144 2HH2 ARG 20 2HH1 ARG 20 -5.297 13.046 0.085
145 H LEU 21 H LEU 21 -4.050 5.063 3.954
146 HA LEU 21 HA LEU 21 -6.714 6.362 3.526
147 1HB LEU 21 2HB LEU 21 -5.863 4.460 2.060
148 2HB LEU 21 1HB LEU 21 -5.976 3.424 3.483
149 HG LEU 21 HG LEU 21 -8.430 4.622 3.516
150 1HD1 LEU 21 1HD1 LEU 21 -9.281 4.945 1.361
151 2HD1 LEU 21 2HD1 LEU 21 -8.020 3.967 0.610
152 3HD1 LEU 21 3HD1 LEU 21 -7.647 5.587 1.199
153 1HD2 LEU 21 1HD2 LEU 21 -8.890 2.416 3.571
154 2HD2 LEU 21 2HD2 LEU 21 -7.294 2.053 2.916
155 3HD2 LEU 21 3HD2 LEU 21 -8.650 2.340 1.826
156 H GLN 22 HN GLN 22 -5.865 6.934 6.011
157 HA GLN 22 HA GLN 22 -6.428 4.837 7.963
158 1HB GLN 22 2HB GLN 22 -5.142 7.315 7.855
159 2HB GLN 22 1HB GLN 22 -6.538 7.604 8.893
160 1HG GLN 22 2HG GLN 22 -5.883 5.956 10.443
161 2HG GLN 22 1HG GLN 22 -4.796 5.178 9.293
162 1HE2 GLN 22 1HE2 GLN 22 -5.107 7.856 11.567
163 2HE2 GLN 22 2HE2 GLN 22 -3.486 8.353 11.488
Start of MODEL 18
1 1H GLY 1 1HT GLY 1 -7.008 -5.567 -6.245
2 2H GLY 1 2HT GLY 1 -7.979 -5.607 -4.853
3 3H GLY 1 3HT GLY 1 -6.826 -6.824 -5.122
4 1HA GLY 1 2HA GLY 1 -5.682 -4.196 -5.129
5 2HA GLY 1 1HA GLY 1 -6.455 -4.610 -3.600
6 H ARG 2 H ARG 2 -5.078 -5.559 -2.195
7 HA ARG 2 HA ARG 2 -3.316 -6.901 -1.369
8 1HB ARG 2 2HB ARG 2 -3.658 -8.283 -4.049
9 2HB ARG 2 1HB ARG 2 -3.016 -8.991 -2.566
10 1HG ARG 2 2HG ARG 2 -5.692 -7.790 -2.267
11 2HG ARG 2 1HG ARG 2 -5.636 -9.171 -3.361
12 1HD ARG 2 2HD ARG 2 -4.721 -10.601 -1.657
13 2HD ARG 2 1HD ARG 2 -4.420 -9.221 -0.581
14 HE ARG 2 HE ARG 2 -7.028 -8.902 -0.826
15 1HH1 ARG 2 1HH1 ARG 2 -6.179 -11.910 -1.920
16 2HH1 ARG 2 2HH1 ARG 2 -7.085 -12.810 -0.748
17 1HH2 ARG 2 1HH2 ARG 2 -7.832 -10.039 1.196
18 2HH2 ARG 2 2HH2 ARG 2 -8.019 -11.751 1.013
19 H ASN 3 H ASN 3 -2.886 -4.596 -3.475
20 HA ASN 3 HA ASN 3 -0.214 -5.397 -4.521
21 1HB ASN 3 2HB ASN 3 -1.551 -2.736 -4.928
22 2HB ASN 3 1HB ASN 3 -0.498 -3.622 -6.028
23 1HD2 ASN 3 1HD2 ASN 3 -1.454 -5.267 -7.382
24 2HD2 ASN 3 2HD2 ASN 3 -3.133 -5.499 -7.480
25 H ASP 4 H ASP 4 0.841 -5.373 -2.379
26 HA ASP 4 HA ASP 4 1.139 -2.624 -1.224
27 1HB ASP 4 2HB ASP 4 1.317 -5.431 -0.250
28 2HB ASP 4 1HB ASP 4 2.172 -4.176 0.634
29 HA PRO 5 HA PRO 5 5.095 -3.759 -3.490
30 1HB PRO 5 2HB PRO 5 5.384 -1.276 -4.636
31 2HB PRO 5 1HB PRO 5 4.474 -2.596 -5.389
32 1HG PRO 5 2HG PRO 5 3.439 -0.334 -3.717
33 2HG PRO 5 1HG PRO 5 2.845 -0.920 -5.279
34 1HD PRO 5 2HD PRO 5 1.614 -1.652 -3.056
35 2HD PRO 5 1HD PRO 5 1.899 -2.843 -4.344
36 H CYS 6 H CYS 6 5.654 -0.400 -3.232
37 HA CYS 6 HA CYS 6 7.308 0.672 -1.915
38 1HB CYS 6 2HB CYS 6 6.141 1.280 0.118
39 2HB CYS 6 1HB CYS 6 4.939 0.975 -1.100
40 HA PRO 7 HA PRO 7 9.645 -2.248 0.518
41 1HB PRO 7 2HB PRO 7 10.055 -1.244 3.007
42 2HB PRO 7 1HB PRO 7 10.721 -0.480 1.551
43 1HG PRO 7 2HG PRO 7 8.615 0.434 3.297
44 2HG PRO 7 1HG PRO 7 9.482 1.312 2.037
45 1HD PRO 7 2HD PRO 7 6.855 0.049 1.932
46 2HD PRO 7 1HD PRO 7 7.618 1.175 0.787
47 H CYS 8 H CYS 8 6.622 -2.505 0.837
48 HA CYS 8 HA CYS 8 6.559 -3.889 3.452
49 1HB CYS 8 2HB CYS 8 4.392 -2.881 1.607
50 2HB CYS 8 1HB CYS 8 4.070 -3.776 3.086
51 H GLY 9 H GLY 9 5.402 -4.352 0.080
52 1HA GLY 9 2HA GLY 9 5.114 -6.334 -1.156
53 2HA GLY 9 1HA GLY 9 6.359 -7.038 -0.122
54 H SER 10 H SER 10 2.874 -6.207 -0.073
55 HA SER 10 HA SER 10 2.205 -8.815 1.017
56 1HB SER 10 2HB SER 10 1.522 -7.926 3.185
57 2HB SER 10 1HB SER 10 3.225 -7.588 2.913
58 HG SER 10 HG SER 10 2.785 -5.521 2.814
59 H GLY 11 H GLY 11 -0.039 -7.116 2.469
60 1HA GLY 11 2HA GLY 11 -1.583 -6.132 0.164
61 2HA GLY 11 1HA GLY 11 -2.248 -7.544 0.985
62 H LYS 12 H LYS 12 -2.993 -4.538 0.773
63 HA LYS 12 HA LYS 12 -4.214 -3.054 2.120
64 1HB LYS 12 2HB LYS 12 -3.997 -5.508 3.829
65 2HB LYS 12 1HB LYS 12 -4.696 -4.041 4.498
66 1HG LYS 12 2HG LYS 12 -6.573 -4.205 3.220
67 2HG LYS 12 1HG LYS 12 -5.676 -4.769 1.809
68 1HD LYS 12 2HD LYS 12 -5.977 -6.569 4.198
69 2HD LYS 12 1HD LYS 12 -7.299 -6.425 3.038
70 1HE LYS 12 2HE LYS 12 -4.547 -6.878 1.946
71 2HE LYS 12 1HE LYS 12 -5.388 -8.252 2.689
72 1HZ LYS 12 1HZ LYS 12 -6.672 -6.444 0.722
73 2HZ LYS 12 2HZ LYS 12 -7.249 -7.937 1.291
74 3HZ LYS 12 3HZ LYS 12 -5.892 -7.880 0.270
75 H LYS 13 H LYS 13 -1.101 -4.102 3.051
76 HA LYS 13 HA LYS 13 -0.727 -2.353 5.310
77 1HB LYS 13 2HB LYS 13 0.577 -4.335 5.176
78 2HB LYS 13 1HB LYS 13 1.026 -3.998 3.506
79 1HG LYS 13 2HG LYS 13 2.949 -3.260 4.490
80 2HG LYS 13 1HG LYS 13 2.025 -1.780 4.688
81 1HD LYS 13 2HD LYS 13 1.277 -2.624 6.935
82 2HD LYS 13 1HD LYS 13 2.387 -3.980 6.736
83 1HE LYS 13 2HE LYS 13 4.104 -2.693 7.455
84 2HE LYS 13 1HE LYS 13 3.789 -1.529 6.153
85 1HZ LYS 13 1HZ LYS 13 2.345 -1.679 8.746
86 2HZ LYS 13 2HZ LYS 13 1.979 -0.605 7.483
87 3HZ LYS 13 3HZ LYS 13 3.462 -0.484 8.303
88 H TYR 14 H TYR 14 -0.311 -2.094 1.902
89 HA TYR 14 HA TYR 14 1.323 0.295 1.938
90 1HB TYR 14 2HB TYR 14 1.134 -1.421 0.133
91 2HB TYR 14 1HB TYR 14 -0.494 -0.827 -0.191
92 HD1 TYR 14 HD1 TYR 14 -0.618 1.868 -0.388
93 HD2 TYR 14 HD2 TYR 14 2.877 -0.517 -1.140
94 HE1 TYR 14 HE1 TYR 14 0.358 3.711 -1.716
95 HE2 TYR 14 HE2 TYR 14 3.844 1.329 -2.478
96 HH TYR 14 HH TYR 14 3.567 3.869 -2.580
97 H LYS 15 H LYS 15 -2.134 -0.268 1.122
98 HA LYS 15 HA LYS 15 -2.910 2.391 0.810
99 1HB LYS 15 2HB LYS 15 -5.088 1.559 1.069
100 2HB LYS 15 1HB LYS 15 -4.191 0.095 0.682
101 1HG LYS 15 2HG LYS 15 -4.030 -0.470 3.054
102 2HG LYS 15 1HG LYS 15 -4.840 1.036 3.486
103 1HD LYS 15 2HD LYS 15 -6.121 -0.991 1.649
104 2HD LYS 15 1HD LYS 15 -6.306 -1.074 3.401
105 1HE LYS 15 2HE LYS 15 -7.791 0.653 3.421
106 2HE LYS 15 1HE LYS 15 -6.797 1.618 2.310
107 1HZ LYS 15 1HZ LYS 15 -7.587 0.412 0.464
108 2HZ LYS 15 2HZ LYS 15 -8.972 0.780 1.378
109 3HZ LYS 15 3HZ LYS 15 -8.303 -0.781 1.434
110 H GLN 16 H GLN 16 -2.443 0.535 3.811
111 HA GLN 16 HA GLN 16 -3.138 2.812 5.537
112 1HB GLN 16 2HB GLN 16 -1.637 0.303 6.311
113 2HB GLN 16 1HB GLN 16 -2.726 1.268 7.301
114 1HG GLN 16 2HG GLN 16 -3.944 0.130 4.859
115 2HG GLN 16 1HG GLN 16 -3.447 -1.051 6.063
116 1HE2 GLN 16 1HE2 GLN 16 -4.474 2.246 6.915
117 2HE2 GLN 16 2HE2 GLN 16 -5.907 1.780 7.695
118 H CYS 17 H CYS 17 -0.283 1.493 4.014
119 HA CYS 17 HA CYS 17 1.547 3.036 5.775
120 1HB CYS 17 2HB CYS 17 2.167 0.773 5.237
121 2HB CYS 17 1HB CYS 17 1.871 1.039 3.524
122 H HIS 18 H HIS 18 1.313 2.604 2.230
123 HA HIS 18 HA HIS 18 2.251 5.417 1.903
124 1HB HIS 18 2HB HIS 18 2.291 2.913 0.223
125 2HB HIS 18 1HB HIS 18 2.715 4.489 -0.447
126 HD1 HIS 18 HD1 HIS 18 4.098 1.680 1.401
127 HD2 HIS 18 HD2 HIS 18 4.967 5.744 1.080
128 HE1 HIS 18 HE1 HIS 18 6.447 1.981 2.289
129 H GLY 19 H GLY 19 -0.681 4.007 2.115
130 1HA GLY 19 2HA GLY 19 -1.794 5.283 -0.331
131 2HA GLY 19 1HA GLY 19 -2.662 4.165 0.722
132 H ARG 20 H ARG 20 -3.064 4.988 2.996
133 HA ARG 20 HA ARG 20 -2.937 7.784 3.636
134 1HB ARG 20 2HB ARG 20 -5.345 8.306 3.187
135 2HB ARG 20 1HB ARG 20 -4.441 7.961 1.713
136 1HG ARG 20 2HG ARG 20 -5.613 6.058 1.295
137 2HG ARG 20 1HG ARG 20 -5.620 5.581 2.994
138 1HD ARG 20 2HD ARG 20 -7.868 6.083 2.767
139 2HD ARG 20 1HD ARG 20 -7.280 7.718 3.129
140 HE ARG 20 HE ARG 20 -7.729 6.680 0.357
141 1HH1 ARG 20 1HH1 ARG 20 -8.627 8.985 2.602
142 2HH1 ARG 20 2HH1 ARG 20 -8.469 10.345 1.543
143 1HH2 ARG 20 1HH2 ARG 20 -6.972 8.526 -0.999
144 2HH2 ARG 20 2HH2 ARG 20 -7.533 10.085 -0.497
145 H LEU 21 H LEU 21 -3.974 8.214 5.699
146 HA LEU 21 HA LEU 21 -4.324 5.827 7.358
147 1HB LEU 21 2HB LEU 21 -3.558 8.519 7.643
148 2HB LEU 21 1HB LEU 21 -5.055 8.364 8.566
149 HG LEU 21 HG LEU 21 -3.730 6.064 9.267
150 1HD1 LEU 21 1HD1 LEU 21 -1.777 7.558 8.006
151 2HD1 LEU 21 2HD1 LEU 21 -1.475 6.297 9.201
152 3HD1 LEU 21 3HD1 LEU 21 -1.551 7.987 9.701
153 1HD2 LEU 21 1HD2 LEU 21 -4.653 7.208 11.041
154 2HD2 LEU 21 2HD2 LEU 21 -4.106 8.776 10.450
155 3HD2 LEU 21 3HD2 LEU 21 -2.975 7.698 11.268
156 H GLN 22 HN GLN 22 -6.298 5.050 6.126
157 HA GLN 22 HA GLN 22 -8.751 6.354 5.855
158 1HB GLN 22 2HB GLN 22 -8.063 4.024 5.148
159 2HB GLN 22 1HB GLN 22 -8.329 3.507 6.814
160 1HG GLN 22 2HG GLN 22 -10.654 4.879 6.240
161 2HG GLN 22 1HG GLN 22 -10.286 4.092 4.704
162 1HE2 GLN 22 1HE2 GLN 22 -12.189 3.537 7.229
163 2HE2 GLN 22 2HE2 GLN 22 -12.025 1.859 7.417
Start of MODEL 19
1 1H GLY 1 1HT GLY 1 1.447 -9.981 -6.068
2 2H GLY 1 2HT GLY 1 0.692 -11.001 -7.197
3 3H GLY 1 3HT GLY 1 1.840 -11.630 -6.112
4 1HA GLY 1 2HA GLY 1 -0.907 -11.517 -5.777
5 2HA GLY 1 1HA GLY 1 0.299 -12.020 -4.590
6 H ARG 2 H ARG 2 -2.257 -10.118 -4.707
7 HA ARG 2 HA ARG 2 -2.939 -8.221 -3.462
8 1HB ARG 2 2HB ARG 2 -0.266 -8.671 -2.098
9 2HB ARG 2 1HB ARG 2 -1.700 -7.917 -1.401
10 1HG ARG 2 2HG ARG 2 -2.197 -10.608 -2.477
11 2HG ARG 2 1HG ARG 2 -1.039 -10.584 -1.148
12 1HD ARG 2 2HD ARG 2 -2.923 -8.900 -0.149
13 2HD ARG 2 1HD ARG 2 -3.943 -9.974 -1.126
14 HE ARG 2 HE ARG 2 -2.295 -10.797 1.184
15 1HH1 ARG 2 1HH1 ARG 2 -3.748 -11.759 -1.776
16 2HH1 ARG 2 2HH1 ARG 2 -4.206 -13.329 -1.202
17 1HH2 ARG 2 1HH2 ARG 2 -3.056 -12.776 2.023
18 2HH2 ARG 2 2HH2 ARG 2 -3.818 -13.903 0.950
19 H ASN 3 H ASN 3 -2.093 -5.879 -2.883
20 HA ASN 3 HA ASN 3 -0.026 -5.087 -4.915
21 1HB ASN 3 2HB ASN 3 -2.062 -3.085 -4.212
22 2HB ASN 3 1HB ASN 3 -1.434 -3.539 -5.794
23 1HD2 ASN 3 1HD2 ASN 3 -2.332 -5.613 -6.757
24 2HD2 ASN 3 2HD2 ASN 3 -3.921 -6.066 -6.368
25 H ASP 4 H ASP 4 0.908 -5.505 -2.368
26 HA ASP 4 HA ASP 4 0.982 -2.765 -1.141
27 1HB ASP 4 2HB ASP 4 1.412 -5.557 -0.130
28 2HB ASP 4 1HB ASP 4 1.894 -4.152 0.811
29 HA PRO 5 HA PRO 5 4.960 -3.769 -3.419
30 1HB PRO 5 2HB PRO 5 5.130 -1.317 -4.649
31 2HB PRO 5 1HB PRO 5 4.250 -2.691 -5.331
32 1HG PRO 5 2HG PRO 5 3.177 -0.413 -3.711
33 2HG PRO 5 1HG PRO 5 2.572 -1.072 -5.240
34 1HD PRO 5 2HD PRO 5 1.417 -1.763 -2.961
35 2HD PRO 5 1HD PRO 5 1.707 -2.983 -4.223
36 H CYS 6 H CYS 6 5.507 -0.424 -3.315
37 HA CYS 6 HA CYS 6 7.177 0.691 -2.070
38 1HB CYS 6 2HB CYS 6 6.049 1.407 -0.034
39 2HB CYS 6 1HB CYS 6 4.838 1.110 -1.251
40 HA PRO 7 HA PRO 7 9.496 -2.159 0.469
41 1HB PRO 7 2HB PRO 7 9.900 -1.131 2.945
42 2HB PRO 7 1HB PRO 7 10.576 -0.386 1.484
43 1HG PRO 7 2HG PRO 7 8.454 0.546 3.206
44 2HG PRO 7 1HG PRO 7 9.355 1.419 1.967
45 1HD PRO 7 2HD PRO 7 6.713 0.213 1.810
46 2HD PRO 7 1HD PRO 7 7.532 1.294 0.660
47 H CYS 8 H CYS 8 6.445 -2.321 0.821
48 HA CYS 8 HA CYS 8 6.311 -3.654 3.448
49 1HB CYS 8 2HB CYS 8 4.255 -2.737 1.439
50 2HB CYS 8 1HB CYS 8 3.826 -3.661 2.871
51 H GLY 9 H GLY 9 5.413 -4.303 0.031
52 1HA GLY 9 2HA GLY 9 5.206 -6.339 -1.128
53 2HA GLY 9 1HA GLY 9 6.474 -6.931 -0.056
54 H SER 10 H SER 10 2.943 -6.447 -0.233
55 HA SER 10 HA SER 10 2.362 -9.010 0.893
56 1HB SER 10 2HB SER 10 1.939 -8.392 3.107
57 2HB SER 10 1HB SER 10 3.413 -7.515 2.745
58 HG SER 10 HG SER 10 2.101 -5.702 2.277
59 H GLY 11 H GLY 11 0.114 -7.429 2.428
60 1HA GLY 11 2HA GLY 11 -1.501 -6.514 0.118
61 2HA GLY 11 1HA GLY 11 -2.145 -7.808 1.124
62 H LYS 12 H LYS 12 -3.111 -4.992 0.700
63 HA LYS 12 HA LYS 12 -4.261 -3.446 2.072
64 1HB LYS 12 2HB LYS 12 -3.165 -4.990 4.418
65 2HB LYS 12 1HB LYS 12 -4.656 -4.060 4.337
66 1HG LYS 12 2HG LYS 12 -5.818 -5.782 3.440
67 2HG LYS 12 1HG LYS 12 -4.519 -6.197 2.322
68 1HD LYS 12 2HD LYS 12 -4.976 -7.987 4.019
69 2HD LYS 12 1HD LYS 12 -3.320 -7.380 4.074
70 1HE LYS 12 2HE LYS 12 -3.586 -6.596 6.189
71 2HE LYS 12 1HE LYS 12 -5.137 -5.834 5.783
72 1HZ LYS 12 1HZ LYS 12 -5.267 -7.775 7.361
73 2HZ LYS 12 2HZ LYS 12 -4.813 -8.768 6.059
74 3HZ LYS 12 3HZ LYS 12 -6.260 -7.879 5.990
75 H LYS 13 H LYS 13 -1.443 -4.341 3.943
76 HA LYS 13 HA LYS 13 -0.453 -2.355 5.260
77 1HB LYS 13 2HB LYS 13 1.137 -3.401 2.922
78 2HB LYS 13 1HB LYS 13 1.792 -2.773 4.430
79 1HG LYS 13 2HG LYS 13 0.096 -5.262 4.107
80 2HG LYS 13 1HG LYS 13 1.815 -5.196 4.473
81 1HD LYS 13 2HD LYS 13 1.074 -3.715 6.498
82 2HD LYS 13 1HD LYS 13 -0.510 -4.440 6.222
83 1HE LYS 13 2HE LYS 13 0.304 -6.642 6.642
84 2HE LYS 13 1HE LYS 13 1.997 -6.120 6.512
85 1HZ LYS 13 1HZ LYS 13 0.936 -6.321 8.848
86 2HZ LYS 13 2HZ LYS 13 0.195 -4.841 8.464
87 3HZ LYS 13 3HZ LYS 13 1.890 -4.964 8.492
88 H TYR 14 H TYR 14 0.580 -2.020 1.949
89 HA TYR 14 HA TYR 14 1.345 0.564 1.808
90 1HB TYR 14 2HB TYR 14 1.095 -1.250 0.038
91 2HB TYR 14 1HB TYR 14 -0.544 -0.638 -0.189
92 HD1 TYR 14 HD1 TYR 14 -0.646 2.064 -0.282
93 HD2 TYR 14 HD2 TYR 14 2.757 -0.341 -1.325
94 HE1 TYR 14 HE1 TYR 14 0.278 3.946 -1.592
95 HE2 TYR 14 HE2 TYR 14 3.680 1.540 -2.641
96 HH TYR 14 HH TYR 14 2.064 3.963 -3.771
97 H LYS 15 H LYS 15 -2.084 -0.298 1.126
98 HA LYS 15 HA LYS 15 -3.188 2.229 0.928
99 1HB LYS 15 2HB LYS 15 -4.057 -0.408 2.020
100 2HB LYS 15 1HB LYS 15 -5.095 0.973 2.369
101 1HG LYS 15 2HG LYS 15 -4.163 0.846 -0.422
102 2HG LYS 15 1HG LYS 15 -5.200 -0.499 0.055
103 1HD LYS 15 2HD LYS 15 -6.443 1.731 1.173
104 2HD LYS 15 1HD LYS 15 -5.900 2.296 -0.405
105 1HE LYS 15 2HE LYS 15 -7.105 -0.401 -0.457
106 2HE LYS 15 1HE LYS 15 -8.228 0.898 -0.010
107 1HZ LYS 15 1HZ LYS 15 -7.702 0.412 -2.515
108 2HZ LYS 15 2HZ LYS 15 -6.331 1.362 -2.200
109 3HZ LYS 15 3HZ LYS 15 -7.885 2.006 -1.964
110 H GLN 16 H GLN 16 -2.634 0.442 3.974
111 HA GLN 16 HA GLN 16 -3.296 2.772 5.633
112 1HB GLN 16 2HB GLN 16 -1.938 0.162 6.372
113 2HB GLN 16 1HB GLN 16 -2.863 1.217 7.435
114 1HG GLN 16 2HG GLN 16 -4.132 0.000 4.986
115 2HG GLN 16 1HG GLN 16 -4.040 -0.897 6.500
116 1HE2 GLN 16 1HE2 GLN 16 -6.581 -0.508 5.986
117 2HE2 GLN 16 2HE2 GLN 16 -7.249 0.837 6.777
118 H CYS 17 H CYS 17 -0.482 1.533 4.062
119 HA CYS 17 HA CYS 17 1.371 3.013 5.868
120 1HB CYS 17 2HB CYS 17 2.040 0.781 5.349
121 2HB CYS 17 1HB CYS 17 1.641 0.979 3.643
122 H HIS 18 H HIS 18 1.330 2.560 2.322
123 HA HIS 18 HA HIS 18 2.144 5.406 2.001
124 1HB HIS 18 2HB HIS 18 2.198 2.895 0.330
125 2HB HIS 18 1HB HIS 18 2.472 4.477 -0.408
126 HD1 HIS 18 HD1 HIS 18 4.264 1.805 1.161
127 HD2 HIS 18 HD2 HIS 18 4.621 5.955 1.189
128 HE1 HIS 18 HE1 HIS 18 6.600 2.319 1.973
129 H GLY 19 H GLY 19 -0.729 3.910 2.286
130 1HA GLY 19 2HA GLY 19 -1.982 5.220 -0.067
131 2HA GLY 19 1HA GLY 19 -2.770 4.038 0.984
132 H ARG 20 H ARG 20 -0.875 6.634 2.332
133 HA ARG 20 HA ARG 20 -1.508 8.552 3.570
134 1HB ARG 20 2HB ARG 20 -3.457 8.182 1.477
135 2HB ARG 20 1HB ARG 20 -4.273 8.753 2.932
136 1HG ARG 20 2HG ARG 20 -3.587 10.816 2.296
137 2HG ARG 20 1HG ARG 20 -1.997 10.315 2.873
138 1HD ARG 20 2HD ARG 20 -2.419 9.263 0.215
139 2HD ARG 20 1HD ARG 20 -2.691 11.017 0.218
140 HE ARG 20 HE ARG 20 -0.393 10.524 1.801
141 1HH1 ARG 20 1HH2 ARG 20 0.062 8.510 -0.414
142 2HH1 ARG 20 2HH2 ARG 20 0.956 9.452 -1.561
143 1HH2 ARG 20 1HH1 ARG 20 0.109 12.492 -0.120
144 2HH2 ARG 20 2HH1 ARG 20 0.983 11.708 -1.394
145 H LEU 21 H LEU 21 -3.049 9.115 5.439
146 HA LEU 21 HA LEU 21 -4.449 6.728 6.544
147 1HB LEU 21 2HB LEU 21 -3.174 7.403 8.751
148 2HB LEU 21 1HB LEU 21 -2.348 6.428 7.537
149 HG LEU 21 HG LEU 21 -1.384 8.525 6.569
150 1HD1 LEU 21 1HD1 LEU 21 -3.066 9.690 8.742
151 2HD1 LEU 21 2HD1 LEU 21 -2.704 10.327 7.139
152 3HD1 LEU 21 3HD1 LEU 21 -1.506 10.449 8.427
153 1HD2 LEU 21 1HD2 LEU 21 0.230 7.619 7.928
154 2HD2 LEU 21 2HD2 LEU 21 -0.851 7.524 9.319
155 3HD2 LEU 21 3HD2 LEU 21 -0.097 9.060 8.891
156 H GLN 22 HN GLN 22 -5.652 9.068 5.536
157 HA GLN 22 HA GLN 22 -7.374 9.811 7.686
158 1HB GLN 22 2HB GLN 22 -6.396 11.683 8.592
159 2HB GLN 22 1HB GLN 22 -4.920 10.911 8.024
160 1HG GLN 22 2HG GLN 22 -5.083 12.206 5.904
161 2HG GLN 22 1HG GLN 22 -6.514 13.020 6.538
162 1HE2 GLN 22 1HE2 GLN 22 -6.148 14.195 8.716
163 2HE2 GLN 22 2HE2 GLN 22 -4.639 14.934 8.954
Start of MODEL 20
1 1H GLY 1 1HT GLY 1 -6.645 -9.797 -3.835
2 2H GLY 1 2HT GLY 1 -7.533 -9.691 -5.280
3 3H GLY 1 3HT GLY 1 -8.207 -9.137 -3.822
4 1HA GLY 1 2HA GLY 1 -6.281 -7.858 -5.595
5 2HA GLY 1 1HA GLY 1 -7.547 -7.137 -4.598
6 H ARG 2 H ARG 2 -4.240 -8.300 -4.620
7 HA ARG 2 HA ARG 2 -3.815 -6.911 -1.998
8 1HB ARG 2 2HB ARG 2 -2.939 -9.655 -2.936
9 2HB ARG 2 1HB ARG 2 -2.195 -8.849 -1.555
10 1HG ARG 2 2HG ARG 2 -3.859 -9.676 -0.279
11 2HG ARG 2 1HG ARG 2 -4.963 -8.601 -1.138
12 1HD ARG 2 2HD ARG 2 -5.996 -10.425 -1.993
13 2HD ARG 2 1HD ARG 2 -4.492 -10.842 -2.840
14 HE ARG 2 HE ARG 2 -5.305 -11.862 -0.167
15 1HH1 ARG 2 1HH2 ARG 2 -2.340 -11.071 -1.232
16 2HH1 ARG 2 2HH2 ARG 2 -1.719 -12.679 -1.399
17 1HH2 ARG 2 1HH1 ARG 2 -4.811 -14.200 -1.042
18 2HH2 ARG 2 2HH1 ARG 2 -3.115 -14.448 -1.290
19 H ASN 3 H ASN 3 -2.581 -5.156 -2.702
20 HA ASN 3 HA ASN 3 -0.085 -5.806 -4.222
21 1HB ASN 3 2HB ASN 3 -1.640 -3.299 -4.761
22 2HB ASN 3 1HB ASN 3 -0.519 -4.156 -5.815
23 1HD2 ASN 3 1HD2 ASN 3 -1.491 -5.397 -7.420
24 2HD2 ASN 3 2HD2 ASN 3 -3.082 -5.987 -7.368
25 H ASP 4 H ASP 4 0.959 -5.560 -2.075
26 HA ASP 4 HA ASP 4 1.066 -2.699 -1.166
27 1HB ASP 4 2HB ASP 4 1.453 -5.370 0.159
28 2HB ASP 4 1HB ASP 4 2.101 -3.911 0.894
29 HA PRO 5 HA PRO 5 5.018 -3.842 -3.405
30 1HB PRO 5 2HB PRO 5 5.164 -1.430 -4.720
31 2HB PRO 5 1HB PRO 5 4.257 -2.819 -5.339
32 1HG PRO 5 2HG PRO 5 3.235 -0.511 -3.716
33 2HG PRO 5 1HG PRO 5 2.597 -1.159 -5.236
34 1HD PRO 5 2HD PRO 5 1.458 -1.869 -2.979
35 2HD PRO 5 1HD PRO 5 1.793 -3.107 -4.211
36 H CYS 6 H CYS 6 5.539 -0.490 -3.419
37 HA CYS 6 HA CYS 6 7.224 0.690 -2.256
38 1HB CYS 6 2HB CYS 6 6.120 1.471 -0.232
39 2HB CYS 6 1HB CYS 6 4.893 1.107 -1.415
40 HA PRO 7 HA PRO 7 9.642 -1.998 0.371
41 1HB PRO 7 2HB PRO 7 10.045 -0.862 2.800
42 2HB PRO 7 1HB PRO 7 10.695 -0.161 1.305
43 1HG PRO 7 2HG PRO 7 8.561 0.789 3.009
44 2HG PRO 7 1HG PRO 7 9.439 1.636 1.735
45 1HD PRO 7 2HD PRO 7 6.822 0.382 1.638
46 2HD PRO 7 1HD PRO 7 7.620 1.423 0.438
47 H CYS 8 H CYS 8 6.603 -2.215 0.755
48 HA CYS 8 HA CYS 8 6.551 -3.446 3.436
49 1HB CYS 8 2HB CYS 8 4.414 -2.597 1.486
50 2HB CYS 8 1HB CYS 8 4.060 -3.438 2.987
51 H GLY 9 H GLY 9 5.334 -4.194 0.136
52 1HA GLY 9 2HA GLY 9 5.131 -6.269 -0.959
53 2HA GLY 9 1HA GLY 9 6.365 -6.879 0.145
54 H SER 10 H SER 10 2.883 -6.329 -0.204
55 HA SER 10 HA SER 10 2.283 -8.692 1.353
56 1HB SER 10 2HB SER 10 1.264 -7.412 3.201
57 2HB SER 10 1HB SER 10 2.990 -7.096 3.063
58 HG SER 10 HG SER 10 0.811 -5.448 2.607
59 H GLY 11 H GLY 11 -0.232 -6.919 2.184
60 1HA GLY 11 2HA GLY 11 -1.556 -6.976 -0.487
61 2HA GLY 11 1HA GLY 11 -2.311 -7.763 0.893
62 H LYS 12 H LYS 12 -2.505 -6.131 2.891
63 HA LYS 12 HA LYS 12 -3.873 -3.734 1.796
64 1HB LYS 12 2HB LYS 12 -3.920 -5.051 4.519
65 2HB LYS 12 1HB LYS 12 -4.989 -3.747 3.995
66 1HG LYS 12 2HG LYS 12 -6.117 -5.116 2.457
67 2HG LYS 12 1HG LYS 12 -4.805 -6.292 2.400
68 1HD LYS 12 2HD LYS 12 -6.462 -5.780 4.882
69 2HD LYS 12 1HD LYS 12 -6.837 -7.045 3.709
70 1HE LYS 12 2HE LYS 12 -5.085 -8.366 4.382
71 2HE LYS 12 1HE LYS 12 -4.022 -6.974 4.676
72 1HZ LYS 12 1HZ LYS 12 -6.259 -7.934 6.374
73 2HZ LYS 12 2HZ LYS 12 -5.539 -6.407 6.570
74 3HZ LYS 12 3HZ LYS 12 -4.619 -7.817 6.793
75 H LYS 13 H LYS 13 -1.265 -4.600 3.925
76 HA LYS 13 HA LYS 13 -0.632 -2.544 5.506
77 1HB LYS 13 2HB LYS 13 0.908 -4.347 5.081
78 2HB LYS 13 1HB LYS 13 1.124 -3.809 3.415
79 1HG LYS 13 2HG LYS 13 2.975 -2.794 4.296
80 2HG LYS 13 1HG LYS 13 1.815 -1.537 4.704
81 1HD LYS 13 2HD LYS 13 1.650 -2.253 6.947
82 2HD LYS 13 1HD LYS 13 2.347 -3.833 6.582
83 1HE LYS 13 2HE LYS 13 4.537 -2.855 6.207
84 2HE LYS 13 1HE LYS 13 3.874 -1.215 6.352
85 1HZ LYS 13 1HZ LYS 13 3.057 -1.874 8.591
86 2HZ LYS 13 2HZ LYS 13 4.752 -1.824 8.469
87 3HZ LYS 13 3HZ LYS 13 3.938 -3.315 8.449
88 H TYR 14 H TYR 14 0.610 -2.294 2.246
89 HA TYR 14 HA TYR 14 1.364 0.297 2.024
90 1HB TYR 14 2HB TYR 14 1.165 -1.536 0.285
91 2HB TYR 14 1HB TYR 14 -0.502 -1.017 0.057
92 HD1 TYR 14 HD1 TYR 14 -0.693 1.726 -0.092
93 HD2 TYR 14 HD2 TYR 14 2.719 -0.631 -1.213
94 HE1 TYR 14 HE1 TYR 14 0.116 3.581 -1.507
95 HE2 TYR 14 HE2 TYR 14 3.521 1.222 -2.639
96 HH TYR 14 HH TYR 14 1.565 3.948 -3.409
97 H LYS 15 H LYS 15 -2.066 -0.732 1.688
98 HA LYS 15 HA LYS 15 -3.210 1.805 1.275
99 1HB LYS 15 2HB LYS 15 -4.161 -0.579 2.903
100 2HB LYS 15 1HB LYS 15 -5.205 0.752 2.412
101 1HG LYS 15 2HG LYS 15 -4.528 0.269 0.018
102 2HG LYS 15 1HG LYS 15 -3.750 -1.200 0.612
103 1HD LYS 15 2HD LYS 15 -5.768 -2.196 1.207
104 2HD LYS 15 1HD LYS 15 -6.596 -0.649 1.383
105 1HE LYS 15 2HE LYS 15 -6.038 -0.496 -1.242
106 2HE LYS 15 1HE LYS 15 -6.120 -2.263 -1.080
107 1HZ LYS 15 1HZ LYS 15 -8.261 -2.170 -0.226
108 2HZ LYS 15 2HZ LYS 15 -8.302 -0.984 -1.440
109 3HZ LYS 15 3HZ LYS 15 -8.146 -0.531 0.190
110 H GLN 16 H GLN 16 -2.397 0.187 4.341
111 HA GLN 16 HA GLN 16 -3.134 2.521 5.968
112 1HB GLN 16 2HB GLN 16 -1.598 0.020 6.731
113 2HB GLN 16 1HB GLN 16 -2.569 1.043 7.787
114 1HG GLN 16 2HG GLN 16 -3.740 -0.440 5.423
115 2HG GLN 16 1HG GLN 16 -3.678 -1.127 7.043
116 1HE2 GLN 16 1HE2 GLN 16 -6.006 -1.052 7.347
117 2HE2 GLN 16 2HE2 GLN 16 -6.838 0.416 7.525
118 H CYS 17 H CYS 17 -0.367 1.435 4.251
119 HA CYS 17 HA CYS 17 1.508 3.016 5.951
120 1HB CYS 17 2HB CYS 17 2.254 0.800 5.459
121 2HB CYS 17 1HB CYS 17 1.757 0.928 3.774
122 H HIS 18 H HIS 18 1.098 2.482 2.433
123 HA HIS 18 HA HIS 18 1.798 5.354 1.998
124 1HB HIS 18 2HB HIS 18 2.036 2.806 0.404
125 2HB HIS 18 1HB HIS 18 2.246 4.386 -0.354
126 HD1 HIS 18 HD1 HIS 18 4.296 1.881 0.804
127 HD2 HIS 18 HD2 HIS 18 4.125 5.933 1.747
128 HE1 HIS 18 HE1 HIS 18 6.554 2.479 1.767
129 H GLY 19 H GLY 19 -0.950 3.662 2.369
130 1HA GLY 19 2HA GLY 19 -2.345 4.446 -0.087
131 2HA GLY 19 1HA GLY 19 -3.075 3.671 1.320
132 H ARG 20 H ARG 20 -2.068 5.628 3.245
133 HA ARG 20 HA ARG 20 -3.852 7.927 2.517
134 1HB ARG 20 2HB ARG 20 -3.994 6.106 4.576
135 2HB ARG 20 1HB ARG 20 -3.153 7.453 5.343
136 1HG ARG 20 2HG ARG 20 -5.129 8.507 5.558
137 2HG ARG 20 1HG ARG 20 -5.234 8.593 3.798
138 1HD ARG 20 2HD ARG 20 -6.094 6.118 3.985
139 2HD ARG 20 1HD ARG 20 -6.452 6.568 5.664
140 HE ARG 20 HE ARG 20 -7.480 8.115 3.312
141 1HH1 ARG 20 1HH2 ARG 20 -9.223 6.057 4.705
142 2HH1 ARG 20 2HH2 ARG 20 -10.128 7.058 5.790
143 1HH2 ARG 20 1HH1 ARG 20 -7.990 9.770 5.494
144 2HH2 ARG 20 2HH1 ARG 20 -9.428 9.157 6.242
145 H LEU 21 H LEU 21 -1.547 8.543 1.478
146 HA LEU 21 HA LEU 21 0.218 9.808 3.526
147 1HB LEU 21 2HB LEU 21 0.805 8.257 1.422
148 2HB LEU 21 1HB LEU 21 0.784 9.814 0.593
149 HG LEU 21 HG LEU 21 2.192 10.307 2.956
150 1HD1 LEU 21 1HD1 LEU 21 2.254 7.703 3.018
151 2HD1 LEU 21 2HD1 LEU 21 3.762 8.583 3.253
152 3HD1 LEU 21 3HD1 LEU 21 3.402 7.859 1.687
153 1HD2 LEU 21 1HD2 LEU 21 4.102 10.578 1.427
154 2HD2 LEU 21 2HD2 LEU 21 2.635 11.226 0.696
155 3HD2 LEU 21 3HD2 LEU 21 3.252 9.655 0.187
156 H GLN 22 HN GLN 22 -2.085 11.216 3.454
157 HA GLN 22 HA GLN 22 -1.668 13.458 1.512
158 1HB GLN 22 2HB GLN 22 -3.835 12.150 1.618
159 2HB GLN 22 1HB GLN 22 -4.068 12.795 3.244
160 1HG GLN 22 2HG GLN 22 -5.234 14.357 1.969
161 2HG GLN 22 1HG GLN 22 -3.644 15.115 2.065
162 1HE2 GLN 22 1HE2 GLN 22 -2.844 15.775 0.069
163 2HE2 GLN 22 2HE2 GLN 22 -3.255 15.082 -1.426