Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
6819 | 1jlo RC | 5113 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H HIS 1 1H HIS 1 -3.671 10.055 -1.316
2 2H HIS 1 2H HIS 1 -2.853 10.452 -2.695
3 3H HIS 1 3H HIS 1 -4.502 10.549 -2.656
4 HA HIS 1 HA HIS 1 -3.825 8.594 -3.902
5 1HB HIS 1 2HB HIS 1 -2.665 6.756 -2.904
6 2HB HIS 1 1HB HIS 1 -1.687 8.227 -3.032
7 HD1 HIS 1 HD1 HIS 1 -3.337 5.941 -0.309
8 HD2 HIS 1 HD2 HIS 1 -0.185 8.748 -1.019
9 HE1 HIS 1 HE1 HIS 1 -1.648 5.889 1.615
10 HE2 HIS 1 HE2 HIS 1 0.286 7.557 1.299
11 HA HYP 2 HA HYP 2 -7.555 6.316 -2.792
12 1HB HYP 2 1HB HYP 2 -5.732 4.159 -3.797
13 2HB HYP 2 2HB HYP 2 -7.404 4.353 -4.372
14 1HD HYP 2 1HD HYP 2 -4.081 5.722 -4.093
15 2HD HYP 2 2HD HYP 2 -4.295 7.093 -5.075
16 HOD HYP 2 HOD HYP 2 -8.890 4.062 0.803
17 HG HYP 2 HG HYP 2 -5.351 5.113 -5.944
18 HA HYP 3 HA HYP 3 -6.353 3.634 0.890
19 1HB HYP 3 1HB HYP 3 -7.315 1.091 -0.462
20 2HB HYP 3 2HB HYP 3 -7.640 1.705 1.158
21 1HD HYP 3 1HD HYP 3 -8.171 3.069 -2.602
22 2HD HYP 3 2HD HYP 3 -8.982 4.439 -1.814
23 HOD HYP 3 HOD HYP 3 -7.480 5.987 -6.273
24 HG HYP 3 HG HYP 3 -9.490 1.872 -0.895
25 H CYS 4 H CYS 4 -4.190 2.910 1.271
26 HA CYS 4 HA CYS 4 -2.686 2.016 -1.167
27 1HB CYS 4 1HB CYS 4 -1.554 3.613 0.438
28 2HB CYS 4 2HB CYS 4 -1.450 2.279 1.597
29 H CYS 5 H CYS 5 -4.184 0.448 1.706
30 HA CYS 5 HA CYS 5 -2.904 -2.066 0.777
31 1HB CYS 5 1HB CYS 5 -4.422 -1.807 3.447
32 2HB CYS 5 2HB CYS 5 -3.304 -3.045 2.921
33 H LEU 6 H LEU 6 -4.274 -2.703 -0.676
34 HA LEU 6 HA LEU 6 -7.181 -2.262 -0.475
35 1HB LEU 6 1HB LEU 6 -6.002 -0.957 -2.402
36 2HB LEU 6 2HB LEU 6 -5.546 -2.468 -3.061
37 HG LEU 6 HG LEU 6 -7.798 -3.083 -3.218
38 1HD1 LEU 6 1HD2 LEU 6 -9.062 -1.770 -1.482
39 2HD1 LEU 6 2HD2 LEU 6 -9.775 -1.412 -3.058
40 3HD1 LEU 6 3HD2 LEU 6 -8.652 -0.245 -2.310
41 1HD2 LEU 6 1HD1 LEU 6 -7.181 -0.492 -4.648
42 2HD2 LEU 6 2HD1 LEU 6 -6.792 -2.174 -5.137
43 3HD2 LEU 6 3HD1 LEU 6 -8.485 -1.636 -5.141
44 H TYR 7 H TYR 7 -7.906 -4.122 -0.482
45 HA TYR 7 HA TYR 7 -8.330 -6.414 -0.432
46 1HB TYR 7 1HB TYR 7 -5.892 -6.857 -2.152
47 2HB TYR 7 2HB TYR 7 -7.343 -7.860 -1.935
48 HD1 TYR 7 HD1 TYR 7 -5.470 -6.265 -4.290
49 HD2 TYR 7 HD2 TYR 7 -9.526 -5.958 -2.873
50 HE1 TYR 7 HE1 TYR 7 -6.078 -5.081 -6.311
51 HE2 TYR 7 HE2 TYR 7 -10.119 -4.739 -4.927
52 HH TYR 7 HH TYR 7 -9.418 -3.938 -6.867
53 H GLY 8 H GLY 8 -6.356 -5.064 1.093
54 1HA GLY 8 1HA GLY 8 -5.212 -5.489 3.197
55 2HA GLY 8 2HA GLY 8 -4.797 -7.118 2.641
56 H LYS 9 H LYS 9 -3.978 -5.688 -0.030
57 HA LYS 9 HA LYS 9 -1.155 -5.871 0.904
58 1HB LYS 9 1HB LYS 9 -2.664 -6.611 -1.754
59 2HB LYS 9 2HB LYS 9 -0.958 -6.920 -1.516
60 1HG LYS 9 1HG LYS 9 -1.345 -8.652 0.138
61 2HG LYS 9 2HG LYS 9 -2.980 -8.145 0.385
62 1HD LYS 9 1HD LYS 9 -3.040 -10.202 -0.864
63 2HD LYS 9 2HD LYS 9 -3.638 -8.946 -1.901
64 1HE LYS 9 2HE LYS 9 -1.277 -8.815 -3.081
65 2HE LYS 9 1HE LYS 9 -0.681 -10.061 -2.013
66 1HZ LYS 9 1HZ LYS 9 -2.394 -11.572 -2.901
67 2HZ LYS 9 2HZ LYS 9 -2.959 -10.391 -3.909
68 3HZ LYS 9 3HZ LYS 9 -1.428 -10.980 -4.103
69 H CYS 10 H CYS 10 0.245 -5.315 -0.202
70 HA CYS 10 HA CYS 10 0.400 -2.438 -0.161
71 1HB CYS 10 1HB CYS 10 1.734 -3.672 1.120
72 2HB CYS 10 2HB CYS 10 2.368 -4.631 -0.160
73 H ARG 11 H ARG 11 -0.493 -1.601 -2.006
74 HA ARG 11 HA ARG 11 0.859 -1.922 -4.610
75 1HB ARG 11 2HB ARG 11 -1.006 -0.233 -5.244
76 2HB ARG 11 1HB ARG 11 -1.244 -1.962 -5.159
77 1HG ARG 11 1HG ARG 11 -2.377 -1.550 -2.854
78 2HG ARG 11 2HG ARG 11 -2.196 0.173 -3.171
79 1HD ARG 11 1HD ARG 11 -4.336 -0.461 -3.597
80 2HD ARG 11 2HD ARG 11 -3.579 0.194 -5.052
81 HE ARG 11 HE ARG 11 -3.348 -2.671 -4.673
82 1HH1 ARG 11 1HH2 ARG 11 -4.949 -0.151 -6.579
83 2HH1 ARG 11 2HH2 ARG 11 -5.084 -1.259 -8.035
84 1HH2 ARG 11 2HH1 ARG 11 -3.688 -3.947 -6.398
85 2HH2 ARG 11 1HH1 ARG 11 -4.417 -3.264 -7.937
86 H ARG 12 H ARG 12 1.880 -0.425 -5.564
87 HA ARG 12 HA ARG 12 3.222 1.552 -4.181
88 1HB ARG 12 1HB ARG 12 4.703 1.413 -6.134
89 2HB ARG 12 2HB ARG 12 4.270 -0.174 -5.618
90 1HG ARG 12 1HG ARG 12 3.061 1.253 -8.086
91 2HG ARG 12 2HG ARG 12 4.489 0.250 -8.111
92 1HD ARG 12 2HD ARG 12 3.061 -1.756 -7.234
93 2HD ARG 12 1HD ARG 12 1.639 -0.712 -7.389
94 HE ARG 12 HE ARG 12 3.018 -0.649 -9.936
95 1HH1 ARG 12 2HH2 ARG 12 1.135 -2.923 -7.953
96 2HH1 ARG 12 1HH2 ARG 12 0.587 -3.814 -9.461
97 1HH2 ARG 12 1HH1 ARG 12 2.337 -1.747 -11.589
98 2HH2 ARG 12 2HH1 ARG 12 1.223 -3.190 -11.380
99 H TYR 13 H TYR 13 1.199 2.834 -3.990
100 HA TYR 13 HA TYR 13 0.843 5.052 -6.014
101 1HB TYR 13 1HB TYR 13 -0.491 4.711 -3.249
102 2HB TYR 13 2HB TYR 13 -0.673 5.953 -4.369
103 HD1 TYR 13 HD1 TYR 13 -2.328 3.348 -3.054
104 HD2 TYR 13 HD2 TYR 13 -1.312 4.774 -6.989
105 HE1 TYR 13 HE1 TYR 13 -4.273 2.204 -3.975
106 HE2 TYR 13 HE2 TYR 13 -3.250 3.570 -7.908
107 HH TYR 13 HH TYR 13 -5.451 1.728 -5.795
108 HA HYP 14 HA HYP 14 3.917 7.453 -4.625
109 1HB HYP 14 1HB HYP 14 3.127 10.144 -4.612
110 2HB HYP 14 2HB HYP 14 3.437 9.205 -6.070
111 1HD HYP 14 1HD HYP 14 -0.097 7.676 -5.286
112 2HD HYP 14 2HD HYP 14 1.098 7.213 -6.438
113 HOD HYP 14 HOD HYP 14 1.678 9.270 -7.460
114 HG HYP 14 HG HYP 14 0.776 9.672 -4.803
115 H GLY 15 H GLY 15 4.489 6.919 -2.671
116 1HA GLY 15 1HA GLY 15 5.472 7.842 -0.519
117 2HA GLY 15 2HA GLY 15 4.018 8.808 -0.271
118 H CYS 16 H CYS 16 3.690 5.391 -1.235
119 HA CYS 16 HA CYS 16 2.654 4.634 1.465
120 1HB CYS 16 1HB CYS 16 1.103 4.432 -0.419
121 2HB CYS 16 2HB CYS 16 2.235 3.551 -1.440
122 H SER 17 H SER 17 5.533 4.429 -0.110
123 HA SER 17 HA SER 17 6.703 1.940 0.984
124 1HB SER 17 2HB SER 17 8.824 3.180 1.163
125 2HB SER 17 1HB SER 17 8.063 3.471 -0.395
126 HG SER 17 HG SER 17 7.241 5.436 0.468
127 H SER 18 H SER 18 5.106 4.481 2.635
128 HA SER 18 HA SER 18 5.720 3.218 5.256
129 1HB SER 18 1HB SER 18 5.668 5.344 6.420
130 2HB SER 18 2HB SER 18 6.730 5.548 5.010
131 HG SER 18 HG SER 18 4.002 6.299 5.153
132 H ALA 19 H ALA 19 3.594 2.765 3.189
133 HA ALA 19 HA ALA 19 1.316 2.561 5.113
134 1HB ALA 19 1HB ALA 19 0.344 0.877 3.624
135 2HB ALA 19 2HB ALA 19 0.717 2.370 2.755
136 3HB ALA 19 3HB ALA 19 1.775 0.927 2.572
137 H SER 20 H SER 20 1.052 0.948 6.404
138 HA SER 20 HA SER 20 3.032 -0.641 7.376
139 1HB SER 20 1HB SER 20 1.396 -1.334 8.895
140 2HB SER 20 2HB SER 20 1.362 0.355 8.616
141 HG SER 20 HG SER 20 -0.424 -1.596 7.543
142 H CYS 21 H CYS 21 0.277 -1.824 5.485
143 HA CYS 21 HA CYS 21 1.025 -4.686 5.234
144 1HB CYS 21 2HB CYS 21 -0.179 -4.575 3.005
145 2HB CYS 21 1HB CYS 21 -1.106 -3.946 4.365
146 H CYS 22 H CYS 22 2.646 -1.999 4.087
147 HA CYS 22 HA CYS 22 4.369 -3.164 1.979
148 1HB CYS 22 1HB CYS 22 3.827 -0.382 3.117
149 2HB CYS 22 2HB CYS 22 5.327 -0.625 2.467
150 H GLN 23 H GLN 23 4.602 -2.398 5.334
151 HA GLN 23 HA GLN 23 7.378 -2.885 5.784
152 1HB GLN 23 1HB GLN 23 5.023 -2.984 7.676
153 2HB GLN 23 2HB GLN 23 6.594 -3.090 8.074
154 1HG GLN 23 2HG GLN 23 5.110 -0.701 6.992
155 2HG GLN 23 1HG GLN 23 5.990 -0.788 8.496
156 1HE2 GLN 23 1HE2 GLN 23 6.160 1.243 6.061
157 2HE2 GLN 23 2HE2 GLN 23 7.692 0.769 5.180
158 H ARG 24 H ARG 24 4.620 -5.225 5.898
159 HA ARG 24 HA ARG 24 4.527 -7.505 5.960
160 1HB ARG 24 2HB ARG 24 5.420 -6.681 3.539
161 2HB ARG 24 1HB ARG 24 6.950 -6.893 4.178
162 1HG ARG 24 2HG ARG 24 6.593 -9.428 4.383
163 2HG ARG 24 1HG ARG 24 4.946 -9.212 3.825
164 1HD ARG 24 2HD ARG 24 6.373 -10.091 2.010
165 2HD ARG 24 1HD ARG 24 5.751 -8.526 1.564
166 HE ARG 24 HE ARG 24 7.974 -7.590 1.583
167 1HH1 ARG 24 1HH2 ARG 24 8.088 -10.848 3.005
168 2HH1 ARG 24 2HH2 ARG 24 9.921 -10.832 2.923
169 1HH2 ARG 24 1HH1 ARG 24 10.054 -7.682 1.538
170 2HH2 ARG 24 2HH1 ARG 24 10.956 -9.159 2.148
171 1HN NH2 25 1HN NH2 25 7.542 -6.667 7.628
172 2HN NH2 25 2HN NH2 25 7.501 -8.369 8.373
Start of MODEL 2
1 1H HIS 1 1H HIS 1 -3.523 9.986 -1.236
2 2H HIS 1 2H HIS 1 -2.728 10.400 -2.624
3 3H HIS 1 3H HIS 1 -4.374 10.519 -2.548
4 HA HIS 1 HA HIS 1 -3.753 8.581 -3.847
5 1HB HIS 1 2HB HIS 1 -2.609 6.699 -2.900
6 2HB HIS 1 1HB HIS 1 -1.607 8.153 -3.044
7 HD1 HIS 1 HD1 HIS 1 -3.243 5.911 -0.264
8 HD2 HIS 1 HD2 HIS 1 -0.025 8.614 -1.081
9 HE1 HIS 1 HE1 HIS 1 -1.504 5.822 1.617
10 HE2 HIS 1 HE2 HIS 1 0.472 7.425 1.234
11 HA HYP 2 HA HYP 2 -7.487 6.335 -2.701
12 1HB HYP 2 1HB HYP 2 -5.735 4.176 -3.811
13 2HB HYP 2 2HB HYP 2 -7.414 4.420 -4.343
14 1HD HYP 2 1HD HYP 2 -4.057 5.709 -4.090
15 2HD HYP 2 2HD HYP 2 -4.252 7.106 -5.037
16 HOD HYP 2 HOD HYP 2 -10.203 3.844 0.095
17 HG HYP 2 HG HYP 2 -5.374 5.175 -5.935
18 HA HYP 3 HA HYP 3 -6.304 3.608 0.919
19 1HB HYP 3 1HB HYP 3 -7.298 1.081 -0.436
20 2HB HYP 3 2HB HYP 3 -7.614 1.695 1.189
21 1HD HYP 3 1HD HYP 3 -8.143 3.082 -2.565
22 2HD HYP 3 2HD HYP 3 -8.924 4.461 -1.761
23 HOD HYP 3 HOD HYP 3 -7.489 6.104 -6.201
24 HG HYP 3 HG HYP 3 -9.475 1.906 -0.847
25 H CYS 4 H CYS 4 -4.156 2.860 1.309
26 HA CYS 4 HA CYS 4 -2.667 1.907 -1.123
27 1HB CYS 4 1HB CYS 4 -1.543 3.557 0.426
28 2HB CYS 4 2HB CYS 4 -1.418 2.257 1.625
29 H CYS 5 H CYS 5 -4.183 0.404 1.758
30 HA CYS 5 HA CYS 5 -2.858 -2.124 0.931
31 1HB CYS 5 1HB CYS 5 -4.488 -1.833 3.514
32 2HB CYS 5 2HB CYS 5 -3.355 -3.077 3.032
33 H LEU 6 H LEU 6 -4.179 -2.658 -0.649
34 HA LEU 6 HA LEU 6 -7.081 -2.171 -0.547
35 1HB LEU 6 1HB LEU 6 -5.819 -0.883 -2.432
36 2HB LEU 6 2HB LEU 6 -5.393 -2.399 -3.095
37 HG LEU 6 HG LEU 6 -7.663 -2.970 -3.293
38 1HD1 LEU 6 1HD2 LEU 6 -9.616 -1.271 -3.119
39 2HD1 LEU 6 2HD2 LEU 6 -8.922 -1.671 -1.548
40 3HD1 LEU 6 3HD2 LEU 6 -8.478 -0.138 -2.341
41 1HD2 LEU 6 1HD1 LEU 6 -7.036 -0.394 -4.724
42 2HD2 LEU 6 2HD1 LEU 6 -6.701 -2.093 -5.215
43 3HD2 LEU 6 3HD1 LEU 6 -8.375 -1.514 -5.178
44 H TYR 7 H TYR 7 -7.862 -3.997 -0.562
45 HA TYR 7 HA TYR 7 -8.372 -6.270 -0.512
46 1HB TYR 7 1HB TYR 7 -5.969 -6.798 -2.264
47 2HB TYR 7 2HB TYR 7 -7.442 -7.755 -2.010
48 HD1 TYR 7 HD1 TYR 7 -5.593 -6.097 -4.393
49 HD2 TYR 7 HD2 TYR 7 -9.630 -5.910 -2.902
50 HE1 TYR 7 HE1 TYR 7 -6.269 -4.901 -6.392
51 HE2 TYR 7 HE2 TYR 7 -10.293 -4.685 -4.931
52 HH TYR 7 HH TYR 7 -9.645 -3.834 -6.868
53 H GLY 8 H GLY 8 -6.378 -5.008 1.030
54 1HA GLY 8 1HA GLY 8 -5.271 -5.506 3.138
55 2HA GLY 8 2HA GLY 8 -4.875 -7.125 2.547
56 H LYS 9 H LYS 9 -4.003 -5.645 -0.106
57 HA LYS 9 HA LYS 9 -1.189 -5.976 0.898
58 1HB LYS 9 1HB LYS 9 -2.559 -6.644 -1.832
59 2HB LYS 9 2HB LYS 9 -0.899 -7.040 -1.433
60 1HG LYS 9 2HG LYS 9 -1.611 -8.705 0.271
61 2HG LYS 9 1HG LYS 9 -3.291 -8.221 0.097
62 1HD LYS 9 1HD LYS 9 -3.237 -8.945 -2.342
63 2HD LYS 9 2HD LYS 9 -1.577 -9.449 -2.155
64 1HE LYS 9 2HE LYS 9 -2.311 -11.156 -0.288
65 2HE LYS 9 1HE LYS 9 -3.970 -10.643 -0.473
66 1HZ LYS 9 1HZ LYS 9 -3.511 -12.605 -1.780
67 2HZ LYS 9 2HZ LYS 9 -2.315 -11.855 -2.637
68 3HZ LYS 9 3HZ LYS 9 -3.884 -11.370 -2.812
69 H CYS 10 H CYS 10 0.274 -5.321 -0.104
70 HA CYS 10 HA CYS 10 0.339 -2.446 -0.045
71 1HB CYS 10 1HB CYS 10 1.687 -3.675 1.240
72 2HB CYS 10 2HB CYS 10 2.348 -4.608 -0.049
73 H ARG 11 H ARG 11 -0.402 -1.414 -1.872
74 HA ARG 11 HA ARG 11 0.793 -2.011 -4.510
75 1HB ARG 11 2HB ARG 11 -1.003 -0.418 -5.162
76 2HB ARG 11 1HB ARG 11 -1.293 -2.132 -4.928
77 1HG ARG 11 2HG ARG 11 -2.732 -1.595 -2.827
78 2HG ARG 11 1HG ARG 11 -2.181 0.086 -2.969
79 1HD ARG 11 2HD ARG 11 -4.380 -0.124 -4.027
80 2HD ARG 11 1HD ARG 11 -3.068 0.177 -5.177
81 HE ARG 11 HE ARG 11 -3.483 -2.662 -5.009
82 1HH1 ARG 11 2HH2 ARG 11 -4.711 0.205 -6.690
83 2HH1 ARG 11 1HH2 ARG 11 -5.072 -0.800 -8.182
84 1HH2 ARG 11 1HH1 ARG 11 -4.044 -3.741 -6.725
85 2HH2 ARG 11 2HH1 ARG 11 -4.719 -2.881 -8.198
86 H ARG 12 H ARG 12 1.870 -0.575 -5.482
87 HA ARG 12 HA ARG 12 3.166 1.533 -4.066
88 1HB ARG 12 2HB ARG 12 4.799 1.621 -6.032
89 2HB ARG 12 1HB ARG 12 4.644 0.111 -5.174
90 1HG ARG 12 1HG ARG 12 4.970 -0.388 -7.450
91 2HG ARG 12 2HG ARG 12 3.364 -0.922 -7.023
92 1HD ARG 12 1HD ARG 12 2.351 1.070 -8.172
93 2HD ARG 12 2HD ARG 12 3.931 1.768 -8.503
94 HE ARG 12 HE ARG 12 2.618 -0.585 -9.899
95 1HH1 ARG 12 1HH2 ARG 12 5.627 1.285 -9.567
96 2HH1 ARG 12 2HH2 ARG 12 6.223 0.632 -11.175
97 1HH2 ARG 12 2HH1 ARG 12 3.397 -1.259 -11.711
98 2HH2 ARG 12 1HH1 ARG 12 5.044 -0.710 -12.304
99 H TYR 13 H TYR 13 1.188 2.726 -4.006
100 HA TYR 13 HA TYR 13 0.823 4.913 -6.060
101 1HB TYR 13 1HB TYR 13 -0.473 4.633 -3.271
102 2HB TYR 13 2HB TYR 13 -0.655 5.863 -4.405
103 HD1 TYR 13 HD1 TYR 13 -2.311 3.275 -3.031
104 HD2 TYR 13 HD2 TYR 13 -1.370 4.687 -6.991
105 HE1 TYR 13 HE1 TYR 13 -4.318 2.199 -3.898
106 HE2 TYR 13 HE2 TYR 13 -3.371 3.548 -7.854
107 HH TYR 13 HH TYR 13 -5.207 2.408 -7.343
108 HA HYP 14 HA HYP 14 3.938 7.309 -4.701
109 1HB HYP 14 1HB HYP 14 3.179 10.005 -4.767
110 2HB HYP 14 2HB HYP 14 3.479 9.021 -6.198
111 1HD HYP 14 1HD HYP 14 -0.076 7.557 -5.383
112 2HD HYP 14 2HD HYP 14 1.115 7.055 -6.524
113 HOD HYP 14 HOD HYP 14 0.248 9.513 -7.149
114 HG HYP 14 HG HYP 14 0.822 9.555 -4.948
115 H GLY 15 H GLY 15 4.489 6.824 -2.727
116 1HA GLY 15 1HA GLY 15 5.448 7.806 -0.587
117 2HA GLY 15 2HA GLY 15 3.987 8.769 -0.379
118 H CYS 16 H CYS 16 3.713 5.317 -1.262
119 HA CYS 16 HA CYS 16 2.638 4.626 1.440
120 1HB CYS 16 1HB CYS 16 1.110 4.367 -0.447
121 2HB CYS 16 2HB CYS 16 2.250 3.475 -1.447
122 H SER 17 H SER 17 5.538 4.408 -0.081
123 HA SER 17 HA SER 17 6.710 1.948 1.074
124 1HB SER 17 2HB SER 17 8.821 3.204 1.255
125 2HB SER 17 1HB SER 17 8.077 3.462 -0.317
126 HG SER 17 HG SER 17 7.913 5.200 1.928
127 H SER 18 H SER 18 5.070 4.503 2.660
128 HA SER 18 HA SER 18 5.674 3.292 5.309
129 1HB SER 18 1HB SER 18 5.594 5.439 6.434
130 2HB SER 18 2HB SER 18 6.664 5.626 5.028
131 HG SER 18 HG SER 18 5.192 7.330 5.240
132 H ALA 19 H ALA 19 3.553 2.803 3.229
133 HA ALA 19 HA ALA 19 1.258 2.612 5.133
134 1HB ALA 19 1HB ALA 19 0.317 0.898 3.663
135 2HB ALA 19 2HB ALA 19 1.765 0.930 2.634
136 3HB ALA 19 3HB ALA 19 0.703 2.374 2.767
137 H SER 20 H SER 20 0.974 1.019 6.444
138 HA SER 20 HA SER 20 2.950 -0.539 7.478
139 1HB SER 20 1HB SER 20 1.296 -1.210 8.986
140 2HB SER 20 2HB SER 20 1.256 0.472 8.673
141 HG SER 20 HG SER 20 -0.839 -0.463 8.774
142 H CYS 21 H CYS 21 0.217 -1.776 5.577
143 HA CYS 21 HA CYS 21 0.995 -4.639 5.387
144 1HB CYS 21 2HB CYS 21 -0.198 -4.570 3.137
145 2HB CYS 21 1HB CYS 21 -1.140 -3.956 4.493
146 H CYS 22 H CYS 22 2.581 -1.946 4.179
147 HA CYS 22 HA CYS 22 4.343 -3.137 2.120
148 1HB CYS 22 1HB CYS 22 3.790 -0.346 3.235
149 2HB CYS 22 2HB CYS 22 5.287 -0.598 2.584
150 H GLN 23 H GLN 23 4.508 -2.367 5.464
151 HA GLN 23 HA GLN 23 7.319 -2.850 5.970
152 1HB GLN 23 1HB GLN 23 4.941 -2.874 7.838
153 2HB GLN 23 2HB GLN 23 6.510 -2.976 8.244
154 1HG GLN 23 1HG GLN 23 5.036 -0.604 7.120
155 2HG GLN 23 2HG GLN 23 5.918 -0.667 8.622
156 1HE2 GLN 23 1HE2 GLN 23 6.092 1.308 6.144
157 2HE2 GLN 23 2HE2 GLN 23 7.612 0.799 5.259
158 H ARG 24 H ARG 24 4.557 -5.108 6.083
159 HA ARG 24 HA ARG 24 5.876 -7.535 6.615
160 1HB ARG 24 2HB ARG 24 3.204 -7.158 5.679
161 2HB ARG 24 1HB ARG 24 3.997 -7.337 4.185
162 1HG ARG 24 1HG ARG 24 2.966 -9.412 4.862
163 2HG ARG 24 2HG ARG 24 4.686 -9.676 4.769
164 1HD ARG 24 2HD ARG 24 3.860 -10.835 6.740
165 2HD ARG 24 1HD ARG 24 4.875 -9.524 7.284
166 HE ARG 24 HE ARG 24 2.984 -8.408 8.288
167 1HH1 ARG 24 1HH2 ARG 24 1.817 -11.160 6.361
168 2HH1 ARG 24 2HH2 ARG 24 0.158 -11.009 7.130
169 1HH2 ARG 24 2HH1 ARG 24 1.065 -8.330 9.094
170 2HH2 ARG 24 1HH1 ARG 24 -0.236 -9.514 8.572
171 1HN NH2 25 1HN NH2 25 7.081 -5.760 3.681
172 2HN NH2 25 2HN NH2 25 7.745 -7.348 3.030
Start of MODEL 3
1 1H HIS 1 1H HIS 1 -2.750 10.404 -2.681
2 2H HIS 1 2H HIS 1 -4.399 10.494 -2.623
3 3H HIS 1 3H HIS 1 -3.553 9.981 -1.300
4 HA HIS 1 HA HIS 1 -3.729 8.562 -3.908
5 1HB HIS 1 2HB HIS 1 -2.565 6.704 -2.942
6 2HB HIS 1 1HB HIS 1 -1.586 8.176 -3.075
7 HD1 HIS 1 HD1 HIS 1 -3.216 5.910 -0.310
8 HD2 HIS 1 HD2 HIS 1 -0.042 8.674 -1.094
9 HE1 HIS 1 HE1 HIS 1 -1.501 5.864 1.595
10 HE2 HIS 1 HE2 HIS 1 0.448 7.503 1.232
11 HA HYP 2 HA HYP 2 -7.438 6.277 -2.803
12 1HB HYP 2 1HB HYP 2 -5.650 4.126 -3.875
13 2HB HYP 2 2HB HYP 2 -7.324 4.349 -4.431
14 1HD HYP 2 1HD HYP 2 -3.983 5.682 -4.143
15 2HD HYP 2 2HD HYP 2 -4.189 7.073 -5.097
16 HOD HYP 2 HOD HYP 2 -9.735 2.817 1.102
17 HG HYP 2 HG HYP 2 -5.272 5.122 -6.001
18 HA HYP 3 HA HYP 3 -6.297 3.593 0.851
19 1HB HYP 3 1HB HYP 3 -7.306 1.055 -0.468
20 2HB HYP 3 2HB HYP 3 -7.633 1.703 1.140
21 1HD HYP 3 1HD HYP 3 -8.094 3.031 -2.650
22 2HD HYP 3 2HD HYP 3 -8.881 4.421 -1.876
23 HOD HYP 3 HOD HYP 3 -7.126 7.097 -5.145
24 HG HYP 3 HG HYP 3 -9.454 1.879 -0.938
25 H CYS 4 H CYS 4 -4.160 2.848 1.272
26 HA CYS 4 HA CYS 4 -2.661 1.818 -1.138
27 1HB CYS 4 1HB CYS 4 -1.588 3.591 0.360
28 2HB CYS 4 2HB CYS 4 -1.398 2.319 1.573
29 H CYS 5 H CYS 5 -4.204 0.414 1.747
30 HA CYS 5 HA CYS 5 -2.948 -2.139 0.897
31 1HB CYS 5 1HB CYS 5 -4.523 -1.839 3.515
32 2HB CYS 5 2HB CYS 5 -3.393 -3.084 3.024
33 H LEU 6 H LEU 6 -4.278 -2.742 -0.608
34 HA LEU 6 HA LEU 6 -7.186 -2.284 -0.472
35 1HB LEU 6 1HB LEU 6 -5.955 -1.000 -2.378
36 2HB LEU 6 2HB LEU 6 -5.499 -2.517 -3.027
37 HG LEU 6 HG LEU 6 -7.763 -3.109 -3.218
38 1HD1 LEU 6 1HD2 LEU 6 -9.715 -1.407 -3.109
39 2HD1 LEU 6 2HD2 LEU 6 -9.034 -1.756 -1.518
40 3HD1 LEU 6 3HD2 LEU 6 -8.587 -0.249 -2.356
41 1HD2 LEU 6 1HD1 LEU 6 -6.701 -2.226 -5.130
42 2HD2 LEU 6 2HD1 LEU 6 -7.107 -0.539 -4.670
43 3HD2 LEU 6 3HD1 LEU 6 -8.396 -1.696 -5.169
44 H TYR 7 H TYR 7 -7.928 -4.135 -0.472
45 HA TYR 7 HA TYR 7 -8.374 -6.423 -0.404
46 1HB TYR 7 1HB TYR 7 -5.957 -6.899 -2.149
47 2HB TYR 7 2HB TYR 7 -7.414 -7.886 -1.906
48 HD1 TYR 7 HD1 TYR 7 -9.628 -6.085 -2.833
49 HD2 TYR 7 HD2 TYR 7 -5.568 -6.209 -4.268
50 HE1 TYR 7 HE1 TYR 7 -10.281 -4.872 -4.873
51 HE2 TYR 7 HE2 TYR 7 -6.232 -5.023 -6.274
52 HH TYR 7 HH TYR 7 -7.907 -4.075 -7.399
53 H GLY 8 H GLY 8 -6.395 -5.103 1.116
54 1HA GLY 8 1HA GLY 8 -5.240 -5.546 3.210
55 2HA GLY 8 2HA GLY 8 -4.827 -7.170 2.642
56 H LYS 9 H LYS 9 -4.018 -5.722 -0.027
57 HA LYS 9 HA LYS 9 -1.177 -5.988 0.899
58 1HB LYS 9 1HB LYS 9 -2.620 -6.643 -1.799
59 2HB LYS 9 2HB LYS 9 -0.940 -7.007 -1.461
60 1HG LYS 9 2HG LYS 9 -1.556 -8.726 0.235
61 2HG LYS 9 1HG LYS 9 -3.240 -8.257 0.146
62 1HD LYS 9 2HD LYS 9 -3.065 -10.257 -1.096
63 2HD LYS 9 1HD LYS 9 -3.383 -8.991 -2.241
64 1HE LYS 9 2HE LYS 9 -0.817 -8.935 -2.872
65 2HE LYS 9 1HE LYS 9 -0.504 -10.183 -1.691
66 1HZ LYS 9 1HZ LYS 9 -0.792 -11.107 -3.890
67 2HZ LYS 9 2HZ LYS 9 -2.313 -10.480 -4.043
68 3HZ LYS 9 3HZ LYS 9 -2.016 -11.663 -2.929
69 H CYS 10 H CYS 10 0.247 -5.329 -0.150
70 HA CYS 10 HA CYS 10 0.344 -2.500 0.048
71 1HB CYS 10 1HB CYS 10 1.736 -3.770 1.201
72 2HB CYS 10 2HB CYS 10 2.346 -4.648 -0.133
73 H ARG 11 H ARG 11 -0.523 -1.449 -1.685
74 HA ARG 11 HA ARG 11 0.282 -1.728 -4.388
75 1HB ARG 11 1HB ARG 11 -1.244 0.651 -3.118
76 2HB ARG 11 2HB ARG 11 -1.216 -0.002 -4.749
77 1HG ARG 11 1HG ARG 11 -2.218 -2.205 -3.360
78 2HG ARG 11 2HG ARG 11 -2.914 -0.898 -2.437
79 1HD ARG 11 1HD ARG 11 -4.418 -0.552 -3.751
80 2HD ARG 11 2HD ARG 11 -3.365 0.118 -4.962
81 HE ARG 11 HE ARG 11 -3.453 -2.814 -4.819
82 1HH1 ARG 11 2HH1 ARG 11 -4.629 0.013 -6.621
83 2HH1 ARG 11 1HH1 ARG 11 -4.952 -0.996 -8.119
84 1HH2 ARG 11 1HH2 ARG 11 -3.925 -3.928 -6.640
85 2HH2 ARG 11 2HH2 ARG 11 -4.580 -3.076 -8.127
86 H ARG 12 H ARG 12 1.499 -0.490 -5.504
87 HA ARG 12 HA ARG 12 3.318 1.476 -4.396
88 1HB ARG 12 1HB ARG 12 3.351 0.583 -7.217
89 2HB ARG 12 2HB ARG 12 4.607 1.531 -6.496
90 1HG ARG 12 2HG ARG 12 5.115 -0.304 -4.859
91 2HG ARG 12 1HG ARG 12 3.889 -1.323 -5.565
92 1HD ARG 12 2HD ARG 12 6.313 -0.201 -7.217
93 2HD ARG 12 1HD ARG 12 6.379 -1.759 -6.444
94 HE ARG 12 HE ARG 12 4.599 -2.659 -7.907
95 1HH1 ARG 12 1HH2 ARG 12 5.759 0.552 -8.915
96 2HH1 ARG 12 2HH2 ARG 12 5.113 0.262 -10.607
97 1HH2 ARG 12 1HH1 ARG 12 3.914 -2.875 -9.858
98 2HH2 ARG 12 2HH1 ARG 12 4.140 -1.545 -11.102
99 H TYR 13 H TYR 13 1.372 2.840 -3.991
100 HA TYR 13 HA TYR 13 0.904 4.982 -6.087
101 1HB TYR 13 1HB TYR 13 -0.379 4.686 -3.295
102 2HB TYR 13 2HB TYR 13 -0.570 5.916 -4.423
103 HD1 TYR 13 HD1 TYR 13 -2.180 3.281 -3.048
104 HD2 TYR 13 HD2 TYR 13 -1.311 4.749 -7.004
105 HE1 TYR 13 HE1 TYR 13 -4.154 2.138 -3.912
106 HE2 TYR 13 HE2 TYR 13 -3.281 3.552 -7.863
107 HH TYR 13 HH TYR 13 -5.414 1.710 -5.683
108 HA HYP 14 HA HYP 14 4.033 7.417 -4.659
109 1HB HYP 14 1HB HYP 14 3.230 10.090 -4.697
110 2HB HYP 14 2HB HYP 14 3.554 9.133 -6.141
111 1HD HYP 14 1HD HYP 14 0.012 7.616 -5.379
112 2HD HYP 14 2HD HYP 14 1.212 7.148 -6.523
113 HOD HYP 14 HOD HYP 14 1.541 10.616 -6.869
114 HG HYP 14 HG HYP 14 0.881 9.617 -4.907
115 H GLY 15 H GLY 15 4.586 6.928 -2.675
116 1HA GLY 15 1HA GLY 15 5.470 7.891 -0.507
117 2HA GLY 15 2HA GLY 15 4.001 8.849 -0.331
118 H CYS 16 H CYS 16 3.773 5.401 -1.226
119 HA CYS 16 HA CYS 16 2.675 4.684 1.468
120 1HB CYS 16 1HB CYS 16 1.151 4.466 -0.436
121 2HB CYS 16 2HB CYS 16 2.303 3.575 -1.428
122 H SER 17 H SER 17 5.581 4.474 -0.039
123 HA SER 17 HA SER 17 6.719 1.963 1.061
124 1HB SER 17 1HB SER 17 7.965 4.784 0.955
125 2HB SER 17 2HB SER 17 8.833 3.315 1.410
126 HG SER 17 HG SER 17 9.070 3.813 -0.768
127 H SER 18 H SER 18 5.097 4.505 2.690
128 HA SER 18 HA SER 18 5.668 3.238 5.318
129 1HB SER 18 1HB SER 18 5.615 5.360 6.487
130 2HB SER 18 2HB SER 18 6.696 5.561 5.091
131 HG SER 18 HG SER 18 3.972 6.331 5.202
132 H ALA 19 H ALA 19 3.562 2.808 3.217
133 HA ALA 19 HA ALA 19 1.259 2.611 5.112
134 1HB ALA 19 1HB ALA 19 1.742 0.966 2.585
135 2HB ALA 19 2HB ALA 19 0.697 2.420 2.746
136 3HB ALA 19 3HB ALA 19 0.296 0.936 3.617
137 H SER 20 H SER 20 0.959 1.006 6.395
138 HA SER 20 HA SER 20 2.929 -0.557 7.432
139 1HB SER 20 1HB SER 20 1.269 -1.221 8.936
140 2HB SER 20 2HB SER 20 1.236 0.461 8.623
141 HG SER 20 HG SER 20 -0.584 0.048 7.231
142 H CYS 21 H CYS 21 0.200 -1.784 5.525
143 HA CYS 21 HA CYS 21 0.968 -4.649 5.338
144 1HB CYS 21 2HB CYS 21 -0.207 -4.568 3.073
145 2HB CYS 21 1HB CYS 21 -1.156 -3.977 4.434
146 H CYS 22 H CYS 22 2.556 -1.960 4.117
147 HA CYS 22 HA CYS 22 4.337 -3.158 2.081
148 1HB CYS 22 1HB CYS 22 3.777 -0.365 3.189
149 2HB CYS 22 2HB CYS 22 5.275 -0.615 2.547
150 H GLN 23 H GLN 23 4.479 -2.397 5.421
151 HA GLN 23 HA GLN 23 7.289 -2.888 5.945
152 1HB GLN 23 1HB GLN 23 4.903 -2.907 7.801
153 2HB GLN 23 2HB GLN 23 6.469 -3.020 8.212
154 1HG GLN 23 2HG GLN 23 5.014 -0.635 7.092
155 2HG GLN 23 1HG GLN 23 5.890 -0.710 8.598
156 1HE2 GLN 23 1HE2 GLN 23 6.084 1.266 6.116
157 2HE2 GLN 23 2HE2 GLN 23 7.604 0.747 5.236
158 H ARG 24 H ARG 24 4.514 -5.136 6.038
159 HA ARG 24 HA ARG 24 5.837 -7.565 6.560
160 1HB ARG 24 2HB ARG 24 3.160 -7.192 5.644
161 2HB ARG 24 1HB ARG 24 3.942 -7.363 4.143
162 1HG ARG 24 1HG ARG 24 2.919 -9.446 4.821
163 2HG ARG 24 2HG ARG 24 4.639 -9.700 4.705
164 1HD ARG 24 1HD ARG 24 3.844 -10.873 6.665
165 2HD ARG 24 2HD ARG 24 4.855 -9.545 7.229
166 HE ARG 24 HE ARG 24 2.027 -8.688 7.179
167 1HH1 ARG 24 2HH1 ARG 24 4.237 -10.733 9.071
168 2HH1 ARG 24 1HH1 ARG 24 3.193 -10.505 10.563
169 1HH2 ARG 24 1HH2 ARG 24 0.916 -8.497 8.936
170 2HH2 ARG 24 2HH2 ARG 24 1.440 -9.323 10.489
171 1HN NH2 25 1HN NH2 25 7.020 -5.781 3.621
172 2HN NH2 25 2HN NH2 25 7.686 -7.367 2.966
Start of MODEL 4
1 1H HIS 1 1H HIS 1 -3.762 9.830 -1.876
2 2H HIS 1 2H HIS 1 -4.555 10.052 -3.308
3 3H HIS 1 3H HIS 1 -2.910 9.894 -3.291
4 HA HIS 1 HA HIS 1 -3.934 7.852 -4.092
5 1HB HIS 1 2HB HIS 1 -2.812 6.247 -2.741
6 2HB HIS 1 1HB HIS 1 -1.810 7.678 -3.062
7 HD1 HIS 1 HD1 HIS 1 -3.245 5.550 -0.248
8 HD2 HIS 1 HD2 HIS 1 -0.550 8.706 -1.121
9 HE1 HIS 1 HE1 HIS 1 -1.517 5.761 1.585
10 HE2 HIS 1 HE2 HIS 1 0.127 7.687 1.210
11 HA HYP 2 HA HYP 2 -7.733 5.952 -2.518
12 1HB HYP 2 1HB HYP 2 -5.907 3.603 -3.002
13 2HB HYP 2 2HB HYP 2 -7.582 3.659 -3.598
14 1HD HYP 2 1HD HYP 2 -4.272 5.078 -3.717
15 2HD HYP 2 2HD HYP 2 -4.572 6.203 -4.987
16 HOD HYP 2 HOD HYP 2 -10.131 3.880 1.190
17 HG HYP 2 HG HYP 2 -5.526 4.000 -5.301
18 HA HYP 3 HA HYP 3 -6.199 3.740 1.525
19 1HB HYP 3 1HB HYP 3 -7.263 1.146 0.336
20 2HB HYP 3 2HB HYP 3 -7.381 1.749 1.987
21 1HD HYP 3 1HD HYP 3 -8.431 2.956 -1.686
22 2HD HYP 3 2HD HYP 3 -9.111 4.397 -0.909
23 HOD HYP 3 HOD HYP 3 -7.448 6.082 -5.024
24 HG HYP 3 HG HYP 3 -9.523 1.898 0.261
25 H CYS 4 H CYS 4 -3.991 2.946 1.725
26 HA CYS 4 HA CYS 4 -2.755 2.152 -0.877
27 1HB CYS 4 1HB CYS 4 -1.399 3.613 0.644
28 2HB CYS 4 2HB CYS 4 -1.237 2.228 1.741
29 H CYS 5 H CYS 5 -3.906 0.444 2.096
30 HA CYS 5 HA CYS 5 -2.758 -2.024 0.916
31 1HB CYS 5 1HB CYS 5 -4.325 -1.962 3.531
32 2HB CYS 5 2HB CYS 5 -3.225 -3.171 2.904
33 H LEU 6 H LEU 6 -4.128 -2.324 -0.742
34 HA LEU 6 HA LEU 6 -7.040 -1.776 -0.425
35 1HB LEU 6 1HB LEU 6 -5.823 -0.282 -2.161
36 2HB LEU 6 2HB LEU 6 -5.471 -1.712 -3.011
37 HG LEU 6 HG LEU 6 -7.728 -2.221 -3.241
38 1HD1 LEU 6 1HD2 LEU 6 -9.586 -0.478 -2.924
39 2HD1 LEU 6 2HD2 LEU 6 -8.887 -1.020 -1.389
40 3HD1 LEU 6 3HD2 LEU 6 -8.396 0.552 -2.070
41 1HD2 LEU 6 1HD1 LEU 6 -6.564 -1.200 -5.043
42 2HD2 LEU 6 2HD1 LEU 6 -6.965 0.443 -4.446
43 3HD2 LEU 6 3HD1 LEU 6 -8.255 -0.651 -5.067
44 H TYR 7 H TYR 7 -7.899 -3.560 -0.614
45 HA TYR 7 HA TYR 7 -8.468 -5.821 -0.762
46 1HB TYR 7 1HB TYR 7 -6.234 -6.169 -2.773
47 2HB TYR 7 2HB TYR 7 -7.678 -7.152 -2.484
48 HD1 TYR 7 HD1 TYR 7 -6.220 -5.763 -5.053
49 HD2 TYR 7 HD2 TYR 7 -9.717 -4.690 -2.784
50 HE1 TYR 7 HE1 TYR 7 -6.961 -4.332 -6.868
51 HE2 TYR 7 HE2 TYR 7 -10.450 -3.257 -4.632
52 HH TYR 7 HH TYR 7 -8.526 -2.935 -7.604
53 H GLY 8 H GLY 8 -6.318 -4.794 0.736
54 1HA GLY 8 1HA GLY 8 -5.200 -5.565 2.739
55 2HA GLY 8 2HA GLY 8 -4.855 -7.116 1.964
56 H LYS 9 H LYS 9 -3.902 -5.336 -0.537
57 HA LYS 9 HA LYS 9 -1.139 -5.904 0.561
58 1HB LYS 9 1HB LYS 9 -2.327 -6.181 -2.296
59 2HB LYS 9 2HB LYS 9 -0.728 -6.710 -1.825
60 1HG LYS 9 2HG LYS 9 -1.654 -8.521 -0.394
61 2HG LYS 9 1HG LYS 9 -3.289 -7.925 -0.636
62 1HD LYS 9 2HD LYS 9 -3.064 -8.357 -3.136
63 2HD LYS 9 1HD LYS 9 -1.452 -8.976 -2.882
64 1HE LYS 9 2HE LYS 9 -2.425 -10.845 -1.302
65 2HE LYS 9 1HE LYS 9 -4.035 -10.217 -1.551
66 1HZ LYS 9 1HZ LYS 9 -3.788 -10.666 -3.948
67 2HZ LYS 9 2HZ LYS 9 -3.564 -12.034 -3.049
68 3HZ LYS 9 3HZ LYS 9 -2.265 -11.260 -3.713
69 H CYS 10 H CYS 10 0.381 -5.257 -0.345
70 HA CYS 10 HA CYS 10 0.769 -2.451 0.033
71 1HB CYS 10 1HB CYS 10 1.946 -3.909 1.179
72 2HB CYS 10 2HB CYS 10 2.535 -4.804 -0.150
73 H ARG 11 H ARG 11 -0.194 -1.645 -1.902
74 HA ARG 11 HA ARG 11 0.811 -1.853 -4.467
75 1HB ARG 11 1HB ARG 11 -1.222 -0.098 -3.024
76 2HB ARG 11 2HB ARG 11 -0.998 -0.155 -4.772
77 1HG ARG 11 2HG ARG 11 -1.312 -2.556 -4.897
78 2HG ARG 11 1HG ARG 11 -1.167 -2.854 -3.247
79 1HD ARG 11 1HD ARG 11 -3.268 -2.592 -2.645
80 2HD ARG 11 2HD ARG 11 -3.380 -0.999 -3.292
81 HE ARG 11 HE ARG 11 -3.740 -1.931 -5.413
82 1HH1 ARG 11 1HH1 ARG 11 -3.335 -4.685 -3.300
83 2HH1 ARG 11 2HH1 ARG 11 -3.607 -5.840 -4.700
84 1HH2 ARG 11 2HH2 ARG 11 -4.291 -3.316 -6.935
85 2HH2 ARG 11 1HH2 ARG 11 -4.111 -5.115 -6.620
86 H ARG 12 H ARG 12 1.735 -0.508 -5.689
87 HA ARG 12 HA ARG 12 3.448 1.618 -4.677
88 1HB ARG 12 2HB ARG 12 4.661 1.621 -6.860
89 2HB ARG 12 1HB ARG 12 4.467 0.037 -6.141
90 1HG ARG 12 2HG ARG 12 2.567 -0.425 -7.831
91 2HG ARG 12 1HG ARG 12 2.741 1.202 -8.449
92 1HD ARG 12 2HD ARG 12 5.125 0.660 -9.246
93 2HD ARG 12 1HD ARG 12 4.890 -1.032 -8.750
94 HE ARG 12 HE ARG 12 2.571 -0.555 -10.222
95 1HH1 ARG 12 1HH2 ARG 12 6.050 -0.343 -10.952
96 2HH1 ARG 12 2HH2 ARG 12 5.739 -0.773 -12.708
97 1HH2 ARG 12 2HH1 ARG 12 2.331 -1.019 -12.277
98 2HH2 ARG 12 1HH1 ARG 12 3.773 -1.130 -13.406
99 H TYR 13 H TYR 13 1.397 2.694 -4.153
100 HA TYR 13 HA TYR 13 0.581 4.835 -6.116
101 1HB TYR 13 1HB TYR 13 -0.524 4.356 -3.279
102 2HB TYR 13 2HB TYR 13 -1.000 5.432 -4.482
103 HD1 TYR 13 HD1 TYR 13 -2.443 3.099 -2.769
104 HD2 TYR 13 HD2 TYR 13 -1.183 3.293 -6.886
105 HE1 TYR 13 HE1 TYR 13 -4.116 1.436 -3.371
106 HE2 TYR 13 HE2 TYR 13 -2.876 1.638 -7.469
107 HH TYR 13 HH TYR 13 -5.013 0.221 -5.001
108 HA HYP 14 HA HYP 14 3.489 7.527 -4.683
109 1HB HYP 14 1HB HYP 14 2.384 10.090 -4.496
110 2HB HYP 14 2HB HYP 14 2.749 9.271 -6.013
111 1HD HYP 14 1HD HYP 14 -0.552 7.293 -5.252
112 2HD HYP 14 2HD HYP 14 0.656 7.044 -6.449
113 HOD HYP 14 HOD HYP 14 -0.561 9.424 -6.813
114 HG HYP 14 HG HYP 14 0.096 9.330 -4.636
115 H GLY 15 H GLY 15 4.243 6.998 -2.762
116 1HA GLY 15 1HA GLY 15 5.177 7.901 -0.605
117 2HA GLY 15 2HA GLY 15 3.675 8.778 -0.317
118 H CYS 16 H CYS 16 3.687 5.332 -1.335
119 HA CYS 16 HA CYS 16 2.658 4.474 1.346
120 1HB CYS 16 1HB CYS 16 1.151 4.252 -0.562
121 2HB CYS 16 2HB CYS 16 2.329 3.419 -1.578
122 H SER 17 H SER 17 5.554 4.464 -0.203
123 HA SER 17 HA SER 17 6.832 1.984 0.808
124 1HB SER 17 1HB SER 17 8.042 3.769 -0.516
125 2HB SER 17 2HB SER 17 7.964 4.852 0.880
126 HG SER 17 HG SER 17 9.899 3.688 0.745
127 H SER 18 H SER 18 5.139 4.404 2.528
128 HA SER 18 HA SER 18 5.824 3.209 5.157
129 1HB SER 18 1HB SER 18 5.664 5.342 6.291
130 2HB SER 18 2HB SER 18 6.713 5.582 4.879
131 HG SER 18 HG SER 18 4.916 6.408 3.759
132 H ALA 19 H ALA 19 3.688 2.669 3.073
133 HA ALA 19 HA ALA 19 1.376 2.432 4.929
134 1HB ALA 19 1HB ALA 19 0.544 0.649 3.453
135 2HB ALA 19 2HB ALA 19 2.024 0.733 2.469
136 3HB ALA 19 3HB ALA 19 0.907 2.137 2.567
137 H SER 20 H SER 20 1.086 0.865 6.270
138 HA SER 20 HA SER 20 3.060 -0.652 7.371
139 1HB SER 20 1HB SER 20 1.382 -1.327 8.853
140 2HB SER 20 2HB SER 20 1.324 0.350 8.515
141 HG SER 20 HG SER 20 -0.759 -0.615 8.583
142 H CYS 21 H CYS 21 0.401 -1.945 5.421
143 HA CYS 21 HA CYS 21 1.204 -4.802 5.276
144 1HB CYS 21 2HB CYS 21 0.061 -4.727 2.973
145 2HB CYS 21 1HB CYS 21 -0.916 -4.196 4.337
146 H CYS 22 H CYS 22 2.787 -2.093 4.063
147 HA CYS 22 HA CYS 22 4.654 -3.306 2.109
148 1HB CYS 22 1HB CYS 22 4.022 -0.506 3.138
149 2HB CYS 22 2HB CYS 22 5.558 -0.751 2.561
150 H GLN 23 H GLN 23 4.685 -2.487 5.444
151 HA GLN 23 HA GLN 23 7.493 -2.950 6.002
152 1HB GLN 23 1HB GLN 23 5.078 -2.920 7.823
153 2HB GLN 23 2HB GLN 23 6.629 -2.975 8.279
154 1HG GLN 23 1HG GLN 23 5.155 -0.658 7.061
155 2HG GLN 23 2HG GLN 23 6.043 -0.666 8.557
156 1HE2 GLN 23 1HE2 GLN 23 6.219 1.251 6.055
157 2HE2 GLN 23 2HE2 GLN 23 7.725 0.712 5.153
158 H ARG 24 H ARG 24 4.755 -5.232 6.010
159 HA ARG 24 HA ARG 24 6.382 -7.540 7.056
160 1HB ARG 24 2HB ARG 24 5.175 -5.662 8.927
161 2HB ARG 24 1HB ARG 24 3.854 -6.584 8.542
162 1HG ARG 24 1HG ARG 24 4.842 -7.473 10.580
163 2HG ARG 24 2HG ARG 24 5.070 -8.702 9.355
164 1HD ARG 24 1HD ARG 24 7.118 -8.503 10.690
165 2HD ARG 24 2HD ARG 24 7.458 -8.014 9.035
166 HE ARG 24 HE ARG 24 6.785 -5.780 10.993
167 1HH1 ARG 24 1HH1 ARG 24 9.389 -7.525 9.310
168 2HH1 ARG 24 2HH1 ARG 24 10.538 -6.129 9.622
169 1HH2 ARG 24 1HH2 ARG 24 8.175 -4.259 11.286
170 2HH2 ARG 24 2HH2 ARG 24 9.895 -4.407 10.665
171 1HN NH2 25 1HN NH2 25 3.288 -9.265 6.324
172 2HN NH2 25 2HN NH2 25 4.893 -9.563 7.235
Start of MODEL 5
1 1H HIS 1 1H HIS 1 -3.640 10.007 -1.130
2 2H HIS 1 2H HIS 1 -4.500 10.542 -2.436
3 3H HIS 1 3H HIS 1 -2.852 10.449 -2.513
4 HA HIS 1 HA HIS 1 -3.849 8.629 -3.757
5 1HB HIS 1 2HB HIS 1 -2.674 6.755 -2.834
6 2HB HIS 1 1HB HIS 1 -1.696 8.227 -2.956
7 HD1 HIS 1 HD1 HIS 1 -3.308 5.926 -0.209
8 HD2 HIS 1 HD2 HIS 1 -0.120 8.677 -0.984
9 HE1 HIS 1 HE1 HIS 1 -1.572 5.833 1.673
10 HE2 HIS 1 HE2 HIS 1 0.386 7.464 1.315
11 HA HYP 2 HA HYP 2 -7.550 6.310 -2.638
12 1HB HYP 2 1HB HYP 2 -5.760 4.192 -3.767
13 2HB HYP 2 2HB HYP 2 -7.443 4.413 -4.297
14 1HD HYP 2 1HD HYP 2 -4.108 5.755 -4.032
15 2HD HYP 2 2HD HYP 2 -4.327 7.159 -4.963
16 HOD HYP 2 HOD HYP 2 -10.229 3.743 0.126
17 HG HYP 2 HG HYP 2 -5.420 5.223 -5.883
18 HA HYP 3 HA HYP 3 -6.315 3.564 0.951
19 1HB HYP 3 1HB HYP 3 -7.284 1.036 -0.420
20 2HB HYP 3 2HB HYP 3 -7.600 1.633 1.208
21 1HD HYP 3 1HD HYP 3 -8.150 3.041 -2.536
22 2HD HYP 3 2HD HYP 3 -8.957 4.400 -1.722
23 HOD HYP 3 HOD HYP 3 -6.406 7.221 -6.313
24 HG HYP 3 HG HYP 3 -9.462 1.826 -0.832
25 H CYS 4 H CYS 4 -4.150 2.846 1.318
26 HA CYS 4 HA CYS 4 -2.662 1.964 -1.139
27 1HB CYS 4 1HB CYS 4 -1.543 3.593 0.447
28 2HB CYS 4 2HB CYS 4 -1.394 2.264 1.606
29 H CYS 5 H CYS 5 -4.139 0.382 1.724
30 HA CYS 5 HA CYS 5 -2.830 -2.110 0.778
31 1HB CYS 5 1HB CYS 5 -4.362 -1.899 3.441
32 2HB CYS 5 2HB CYS 5 -3.222 -3.115 2.903
33 H LEU 6 H LEU 6 -4.187 -2.705 -0.711
34 HA LEU 6 HA LEU 6 -7.103 -2.290 -0.485
35 1HB LEU 6 1HB LEU 6 -5.955 -0.971 -2.405
36 2HB LEU 6 2HB LEU 6 -5.497 -2.476 -3.087
37 HG LEU 6 HG LEU 6 -7.755 -3.096 -3.221
38 1HD1 LEU 6 1HD2 LEU 6 -8.601 -0.273 -2.265
39 2HD1 LEU 6 2HD2 LEU 6 -9.733 -1.432 -3.012
40 3HD1 LEU 6 3HD2 LEU 6 -8.997 -1.809 -1.452
41 1HD2 LEU 6 1HD1 LEU 6 -8.486 -1.624 -5.111
42 2HD2 LEU 6 2HD1 LEU 6 -6.801 -2.181 -5.149
43 3HD2 LEU 6 3HD1 LEU 6 -7.160 -0.497 -4.638
44 H TYR 7 H TYR 7 -7.839 -4.139 -0.484
45 HA TYR 7 HA TYR 7 -8.286 -6.424 -0.440
46 1HB TYR 7 1HB TYR 7 -5.891 -6.875 -2.221
47 2HB TYR 7 2HB TYR 7 -7.334 -7.876 -1.965
48 HD1 TYR 7 HD1 TYR 7 -5.534 -6.190 -4.352
49 HD2 TYR 7 HD2 TYR 7 -9.567 -6.058 -2.842
50 HE1 TYR 7 HE1 TYR 7 -6.236 -5.006 -6.347
51 HE2 TYR 7 HE2 TYR 7 -10.257 -4.848 -4.871
52 HH TYR 7 HH TYR 7 -9.630 -3.991 -6.812
53 H GLY 8 H GLY 8 -6.265 -5.106 1.055
54 1HA GLY 8 1HA GLY 8 -5.095 -5.578 3.136
55 2HA GLY 8 2HA GLY 8 -4.699 -7.197 2.545
56 H LYS 9 H LYS 9 -3.916 -5.691 -0.130
57 HA LYS 9 HA LYS 9 -1.072 -6.011 0.775
58 1HB LYS 9 2HB LYS 9 -2.521 -6.578 -1.936
59 2HB LYS 9 1HB LYS 9 -0.849 -6.981 -1.612
60 1HG LYS 9 2HG LYS 9 -1.464 -8.717 0.023
61 2HG LYS 9 1HG LYS 9 -3.153 -8.265 -0.017
62 1HD LYS 9 2HD LYS 9 -1.573 -9.354 -2.438
63 2HD LYS 9 1HD LYS 9 -2.464 -10.350 -1.330
64 1HE LYS 9 2HE LYS 9 -4.686 -9.095 -1.931
65 2HE LYS 9 1HE LYS 9 -3.821 -8.095 -3.070
66 1HZ LYS 9 1HZ LYS 9 -3.185 -10.117 -4.295
67 2HZ LYS 9 2HZ LYS 9 -4.826 -9.978 -4.158
68 3HZ LYS 9 3HZ LYS 9 -4.007 -11.064 -3.220
69 H CYS 10 H CYS 10 0.354 -5.293 -0.208
70 HA CYS 10 HA CYS 10 0.410 -2.425 -0.118
71 1HB CYS 10 1HB CYS 10 1.787 -3.673 1.122
72 2HB CYS 10 2HB CYS 10 2.431 -4.577 -0.190
73 H ARG 11 H ARG 11 -0.369 -1.387 -1.904
74 HA ARG 11 HA ARG 11 0.787 -1.925 -4.584
75 1HB ARG 11 2HB ARG 11 -1.080 -0.301 -5.191
76 2HB ARG 11 1HB ARG 11 -1.294 -2.034 -5.048
77 1HG ARG 11 2HG ARG 11 -2.608 -1.649 -2.851
78 2HG ARG 11 1HG ARG 11 -2.163 0.067 -2.967
79 1HD ARG 11 1HD ARG 11 -4.342 -0.457 -3.642
80 2HD ARG 11 2HD ARG 11 -3.473 0.265 -4.992
81 HE ARG 11 HE ARG 11 -3.479 -2.709 -4.987
82 1HH1 ARG 11 2HH1 ARG 11 -4.902 0.171 -6.488
83 2HH1 ARG 11 1HH1 ARG 11 -5.277 -0.786 -8.008
84 1HH2 ARG 11 1HH2 ARG 11 -4.049 -3.732 -6.727
85 2HH2 ARG 11 2HH2 ARG 11 -4.827 -2.844 -8.131
86 H ARG 12 H ARG 12 1.814 -0.465 -5.586
87 HA ARG 12 HA ARG 12 3.172 1.541 -4.319
88 1HB ARG 12 1HB ARG 12 4.611 1.367 -6.274
89 2HB ARG 12 2HB ARG 12 4.076 -0.216 -5.830
90 1HG ARG 12 2HG ARG 12 2.220 0.175 -7.757
91 2HG ARG 12 1HG ARG 12 3.300 1.432 -8.310
92 1HD ARG 12 1HD ARG 12 5.148 -0.202 -8.710
93 2HD ARG 12 2HD ARG 12 4.263 -1.504 -7.894
94 HE ARG 12 HE ARG 12 2.548 -0.552 -10.022
95 1HH1 ARG 12 1HH1 ARG 12 5.684 -2.202 -9.710
96 2HH1 ARG 12 2HH1 ARG 12 5.432 -3.023 -11.331
97 1HH2 ARG 12 1HH2 ARG 12 2.372 -1.533 -11.862
98 2HH2 ARG 12 2HH2 ARG 12 3.682 -2.667 -12.466
99 H TYR 13 H TYR 13 1.167 2.832 -4.034
100 HA TYR 13 HA TYR 13 0.767 5.072 -6.028
101 1HB TYR 13 1HB TYR 13 -0.506 4.716 -3.238
102 2HB TYR 13 2HB TYR 13 -0.703 5.970 -4.343
103 HD1 TYR 13 HD1 TYR 13 -1.419 4.852 -6.950
104 HD2 TYR 13 HD2 TYR 13 -2.326 3.330 -3.024
105 HE1 TYR 13 HE1 TYR 13 -3.399 3.695 -7.839
106 HE2 TYR 13 HE2 TYR 13 -4.312 2.232 -3.914
107 HH TYR 13 HH TYR 13 -5.585 1.874 -5.695
108 HA HYP 14 HA HYP 14 3.882 7.450 -4.676
109 1HB HYP 14 1HB HYP 14 3.108 10.143 -4.667
110 2HB HYP 14 2HB HYP 14 3.388 9.195 -6.125
111 1HD HYP 14 1HD HYP 14 -0.143 7.693 -5.279
112 2HD HYP 14 2HD HYP 14 1.030 7.222 -6.452
113 HOD HYP 14 HOD HYP 14 0.138 9.687 -7.007
114 HG HYP 14 HG HYP 14 0.751 9.684 -4.816
115 H GLY 15 H GLY 15 4.471 6.922 -2.724
116 1HA GLY 15 1HA GLY 15 5.473 7.855 -0.583
117 2HA GLY 15 2HA GLY 15 4.020 8.822 -0.329
118 H CYS 16 H CYS 16 3.710 5.391 -1.276
119 HA CYS 16 HA CYS 16 2.685 4.649 1.432
120 1HB CYS 16 1HB CYS 16 1.121 4.434 -0.433
121 2HB CYS 16 2HB CYS 16 2.242 3.556 -1.470
122 H SER 17 H SER 17 5.557 4.447 -0.149
123 HA SER 17 HA SER 17 6.737 1.957 0.931
124 1HB SER 17 1HB SER 17 7.996 3.642 -0.479
125 2HB SER 17 2HB SER 17 7.984 4.778 0.876
126 HG SER 17 HG SER 17 9.868 3.532 0.755
127 H SER 18 H SER 18 5.140 4.505 2.595
128 HA SER 18 HA SER 18 5.789 3.267 5.221
129 1HB SER 18 1HB SER 18 5.709 5.403 6.365
130 2HB SER 18 2HB SER 18 6.759 5.610 4.948
131 HG SER 18 HG SER 18 4.019 6.319 5.101
132 H ALA 19 H ALA 19 3.633 2.793 3.167
133 HA ALA 19 HA ALA 19 1.367 2.571 5.102
134 1HB ALA 19 1HB ALA 19 0.403 0.883 3.613
135 2HB ALA 19 2HB ALA 19 1.835 0.937 2.563
136 3HB ALA 19 3HB ALA 19 0.773 2.376 2.742
137 H SER 20 H SER 20 1.099 0.952 6.386
138 HA SER 20 HA SER 20 3.089 -0.624 7.370
139 1HB SER 20 1HB SER 20 1.452 -1.317 8.887
140 2HB SER 20 2HB SER 20 1.411 0.370 8.601
141 HG SER 20 HG SER 20 -0.363 -1.594 7.533
142 H CYS 21 H CYS 21 0.344 -1.826 5.474
143 HA CYS 21 HA CYS 21 1.122 -4.686 5.238
144 1HB CYS 21 1HB CYS 21 -0.090 -4.599 3.009
145 2HB CYS 21 2HB CYS 21 -1.024 -3.983 4.370
146 H CYS 22 H CYS 22 2.706 -1.970 4.067
147 HA CYS 22 HA CYS 22 4.443 -3.121 1.962
148 1HB CYS 22 1HB CYS 22 3.905 -0.359 3.135
149 2HB CYS 22 2HB CYS 22 5.395 -0.602 2.462
150 H GLN 23 H GLN 23 4.653 -2.399 5.343
151 HA GLN 23 HA GLN 23 7.458 -2.917 5.774
152 1HB GLN 23 1HB GLN 23 5.098 -2.947 7.672
153 2HB GLN 23 2HB GLN 23 6.662 -3.028 8.080
154 1HG GLN 23 1HG GLN 23 5.171 -0.667 6.975
155 2HG GLN 23 2HG GLN 23 6.076 -0.735 8.463
156 1HE2 GLN 23 1HE2 GLN 23 6.222 1.277 6.034
157 2HE2 GLN 23 2HE2 GLN 23 7.724 0.782 5.108
158 H ARG 24 H ARG 24 4.710 -5.181 5.788
159 HA ARG 24 HA ARG 24 6.352 -7.543 6.709
160 1HB ARG 24 2HB ARG 24 5.246 -5.750 8.678
161 2HB ARG 24 1HB ARG 24 3.859 -6.591 8.273
162 1HG ARG 24 2HG ARG 24 4.978 -8.810 8.900
163 2HG ARG 24 1HG ARG 24 6.462 -7.948 9.266
164 1HD ARG 24 1HD ARG 24 3.752 -7.506 10.701
165 2HD ARG 24 2HD ARG 24 5.039 -8.565 11.282
166 HE ARG 24 HE ARG 24 6.249 -5.956 10.936
167 1HH1 ARG 24 1HH2 ARG 24 3.770 -7.445 13.007
168 2HH1 ARG 24 2HH2 ARG 24 4.130 -6.230 14.334
169 1HH2 ARG 24 2HH1 ARG 24 6.574 -4.626 12.512
170 2HH2 ARG 24 1HH1 ARG 24 5.612 -4.742 14.070
171 1HN NH2 25 1HN NH2 25 3.239 -9.216 5.982
172 2HN NH2 25 2HN NH2 25 4.891 -9.568 6.780
Start of MODEL 6
1 1H HIS 1 1H HIS 1 -2.771 10.432 -2.631
2 2H HIS 1 2H HIS 1 -4.418 10.538 -2.565
3 3H HIS 1 3H HIS 1 -3.571 10.008 -1.249
4 HA HIS 1 HA HIS 1 -3.774 8.608 -3.864
5 1HB HIS 1 2HB HIS 1 -2.621 6.733 -2.914
6 2HB HIS 1 1HB HIS 1 -1.629 8.194 -3.048
7 HD1 HIS 1 HD1 HIS 1 -3.293 5.957 -0.274
8 HD2 HIS 1 HD2 HIS 1 -0.051 8.638 -1.076
9 HE1 HIS 1 HE1 HIS 1 -1.569 5.867 1.621
10 HE2 HIS 1 HE2 HIS 1 0.420 7.456 1.247
11 HA HYP 2 HA HYP 2 -7.501 6.334 -2.754
12 1HB HYP 2 1HB HYP 2 -5.724 4.188 -3.848
13 2HB HYP 2 2HB HYP 2 -7.400 4.420 -4.395
14 1HD HYP 2 1HD HYP 2 -4.249 7.128 -5.057
15 2HD HYP 2 2HD HYP 2 -4.052 5.731 -4.113
16 HOD HYP 2 HOD HYP 2 -10.241 3.820 0.000
17 HG HYP 2 HG HYP 2 -5.354 5.194 -5.970
18 HA HYP 3 HA HYP 3 -6.341 3.615 0.877
19 1HB HYP 3 1HB HYP 3 -7.314 1.080 -0.480
20 2HB HYP 3 2HB HYP 3 -7.646 1.697 1.138
21 1HD HYP 3 1HD HYP 3 -8.136 3.072 -2.628
22 2HD HYP 3 2HD HYP 3 -8.938 4.447 -1.836
23 HOD HYP 3 HOD HYP 3 -7.190 7.175 -5.090
24 HG HYP 3 HG HYP 3 -9.479 1.887 -0.928
25 H CYS 4 H CYS 4 -4.191 2.882 1.285
26 HA CYS 4 HA CYS 4 -2.675 1.960 -1.141
27 1HB CYS 4 1HB CYS 4 -1.577 3.614 0.430
28 2HB CYS 4 2HB CYS 4 -1.441 2.306 1.614
29 H CYS 5 H CYS 5 -4.200 0.422 1.713
30 HA CYS 5 HA CYS 5 -2.893 -2.088 0.816
31 1HB CYS 5 1HB CYS 5 -4.457 -1.835 3.457
32 2HB CYS 5 2HB CYS 5 -3.326 -3.070 2.945
33 H LEU 6 H LEU 6 -4.236 -2.686 -0.684
34 HA LEU 6 HA LEU 6 -7.150 -2.241 -0.505
35 1HB LEU 6 1HB LEU 6 -5.962 -0.954 -2.421
36 2HB LEU 6 2HB LEU 6 -5.507 -2.469 -3.081
37 HG LEU 6 HG LEU 6 -7.768 -3.072 -3.244
38 1HD1 LEU 6 1HD2 LEU 6 -8.605 -0.234 -2.326
39 2HD1 LEU 6 2HD2 LEU 6 -9.026 -1.759 -1.506
40 3HD1 LEU 6 3HD2 LEU 6 -9.735 -1.390 -3.080
41 1HD2 LEU 6 1HD1 LEU 6 -7.132 -0.489 -4.675
42 2HD2 LEU 6 2HD1 LEU 6 -8.458 -1.612 -5.158
43 3HD2 LEU 6 3HD1 LEU 6 -6.777 -2.180 -5.165
44 H TYR 7 H TYR 7 -7.903 -4.083 -0.498
45 HA TYR 7 HA TYR 7 -8.371 -6.363 -0.436
46 1HB TYR 7 1HB TYR 7 -5.955 -6.859 -2.179
47 2HB TYR 7 2HB TYR 7 -7.414 -7.839 -1.931
48 HD1 TYR 7 HD1 TYR 7 -9.622 -6.035 -2.858
49 HD2 TYR 7 HD2 TYR 7 -5.566 -6.165 -4.303
50 HE1 TYR 7 HE1 TYR 7 -10.282 -4.835 -4.904
51 HE2 TYR 7 HE2 TYR 7 -6.238 -4.993 -6.315
52 HH TYR 7 HH TYR 7 -9.626 -3.987 -6.839
53 H GLY 8 H GLY 8 -6.369 -5.047 1.079
54 1HA GLY 8 1HA GLY 8 -5.242 -5.506 3.187
55 2HA GLY 8 2HA GLY 8 -4.850 -7.135 2.621
56 H LYS 9 H LYS 9 -4.007 -5.666 -0.055
57 HA LYS 9 HA LYS 9 -1.182 -5.995 0.907
58 1HB LYS 9 1HB LYS 9 -2.593 -6.656 -1.804
59 2HB LYS 9 2HB LYS 9 -0.928 -7.058 -1.430
60 1HG LYS 9 2HG LYS 9 -1.614 -8.725 0.278
61 2HG LYS 9 1HG LYS 9 -3.296 -8.233 0.140
62 1HD LYS 9 1HD LYS 9 -3.294 -8.949 -2.303
63 2HD LYS 9 2HD LYS 9 -1.633 -9.463 -2.149
64 1HE LYS 9 1HE LYS 9 -2.340 -11.171 -0.273
65 2HE LYS 9 2HE LYS 9 -4.000 -10.648 -0.424
66 1HZ LYS 9 1HZ LYS 9 -2.395 -11.864 -2.624
67 2HZ LYS 9 2HZ LYS 9 -3.579 -12.609 -1.745
68 3HZ LYS 9 3HZ LYS 9 -3.964 -11.369 -2.766
69 H CYS 10 H CYS 10 0.263 -5.331 -0.092
70 HA CYS 10 HA CYS 10 0.345 -2.468 -0.044
71 1HB CYS 10 1HB CYS 10 1.698 -3.705 1.231
72 2HB CYS 10 2HB CYS 10 2.349 -4.633 -0.062
73 H ARG 11 H ARG 11 -0.386 -1.427 -1.841
74 HA ARG 11 HA ARG 11 0.797 -1.989 -4.508
75 1HB ARG 11 2HB ARG 11 -1.046 -0.322 -5.128
76 2HB ARG 11 1HB ARG 11 -1.275 -2.052 -5.008
77 1HG ARG 11 2HG ARG 11 -2.611 -1.668 -2.814
78 2HG ARG 11 1HG ARG 11 -2.156 0.045 -2.930
79 1HD ARG 11 1HD ARG 11 -4.326 -0.464 -3.635
80 2HD ARG 11 2HD ARG 11 -3.434 0.237 -4.981
81 HE ARG 11 HE ARG 11 -3.475 -2.738 -4.943
82 1HH1 ARG 11 1HH1 ARG 11 -4.827 0.144 -6.505
83 2HH1 ARG 11 2HH1 ARG 11 -5.184 -0.826 -8.021
84 1HH2 ARG 11 1HH2 ARG 11 -4.021 -3.772 -6.681
85 2HH2 ARG 11 2HH2 ARG 11 -4.759 -2.891 -8.112
86 H ARG 12 H ARG 12 1.811 -0.517 -5.502
87 HA ARG 12 HA ARG 12 3.156 1.554 -4.025
88 1HB ARG 12 2HB ARG 12 4.769 1.689 -6.054
89 2HB ARG 12 1HB ARG 12 4.735 0.236 -5.075
90 1HG ARG 12 2HG ARG 12 5.036 -0.582 -7.195
91 2HG ARG 12 1HG ARG 12 3.331 -0.867 -6.953
92 1HD ARG 12 2HD ARG 12 2.995 1.484 -8.190
93 2HD ARG 12 1HD ARG 12 4.704 1.389 -8.585
94 HE ARG 12 HE ARG 12 3.601 -1.127 -9.457
95 1HH1 ARG 12 1HH1 ARG 12 3.152 2.304 -10.280
96 2HH1 ARG 12 2HH1 ARG 12 2.672 1.844 -11.990
97 1HH2 ARG 12 1HH2 ARG 12 3.033 -1.533 -11.423
98 2HH2 ARG 12 2HH2 ARG 12 2.610 -0.183 -12.591
99 H TYR 13 H TYR 13 1.193 2.761 -3.977
100 HA TYR 13 HA TYR 13 0.849 4.945 -6.036
101 1HB TYR 13 1HB TYR 13 -0.472 4.672 -3.256
102 2HB TYR 13 2HB TYR 13 -0.636 5.906 -4.388
103 HD1 TYR 13 HD1 TYR 13 -2.306 3.304 -3.045
104 HD2 TYR 13 HD2 TYR 13 -1.334 4.758 -6.982
105 HE1 TYR 13 HE1 TYR 13 -4.296 2.219 -3.943
106 HE2 TYR 13 HE2 TYR 13 -3.317 3.613 -7.877
107 HH TYR 13 HH TYR 13 -5.555 1.857 -5.733
108 HA HYP 14 HA HYP 14 3.970 7.325 -4.689
109 1HB HYP 14 1HB HYP 14 3.223 10.026 -4.751
110 2HB HYP 14 2HB HYP 14 3.519 9.042 -6.183
111 1HD HYP 14 1HD HYP 14 -0.042 7.595 -5.366
112 2HD HYP 14 2HD HYP 14 1.146 7.085 -6.506
113 HOD HYP 14 HOD HYP 14 0.291 9.546 -7.134
114 HG HYP 14 HG HYP 14 0.865 9.588 -4.933
115 H GLY 15 H GLY 15 4.528 6.839 -2.718
116 1HA GLY 15 1HA GLY 15 5.504 7.811 -0.583
117 2HA GLY 15 2HA GLY 15 4.054 8.791 -0.370
118 H CYS 16 H CYS 16 3.732 5.344 -1.248
119 HA CYS 16 HA CYS 16 2.667 4.664 1.461
120 1HB CYS 16 1HB CYS 16 1.119 4.436 -0.420
121 2HB CYS 16 2HB CYS 16 2.243 3.528 -1.426
122 H SER 17 H SER 17 5.552 4.412 -0.075
123 HA SER 17 HA SER 17 6.696 1.933 1.069
124 1HB SER 17 2HB SER 17 8.821 3.165 1.255
125 2HB SER 17 1HB SER 17 8.080 3.437 -0.316
126 HG SER 17 HG SER 17 8.851 5.338 0.636
127 H SER 18 H SER 18 5.083 4.498 2.664
128 HA SER 18 HA SER 18 5.675 3.273 5.310
129 1HB SER 18 1HB SER 18 5.606 5.416 6.441
130 2HB SER 18 2HB SER 18 6.680 5.602 5.038
131 HG SER 18 HG SER 18 4.936 6.512 3.899
132 H ALA 19 H ALA 19 3.556 2.801 3.225
133 HA ALA 19 HA ALA 19 1.262 2.613 5.134
134 1HB ALA 19 1HB ALA 19 1.743 0.953 2.616
135 2HB ALA 19 2HB ALA 19 0.302 0.918 3.655
136 3HB ALA 19 3HB ALA 19 0.688 2.401 2.774
137 H SER 20 H SER 20 0.969 1.009 6.426
138 HA SER 20 HA SER 20 2.944 -0.550 7.459
139 1HB SER 20 1HB SER 20 1.287 -1.222 8.965
140 2HB SER 20 2HB SER 20 1.249 0.461 8.653
141 HG SER 20 HG SER 20 -0.847 -0.471 8.750
142 H CYS 21 H CYS 21 0.218 -1.782 5.550
143 HA CYS 21 HA CYS 21 0.991 -4.646 5.364
144 1HB CYS 21 1HB CYS 21 -0.192 -4.589 3.118
145 2HB CYS 21 2HB CYS 21 -1.140 -3.948 4.458
146 H CYS 22 H CYS 22 2.586 -1.956 4.163
147 HA CYS 22 HA CYS 22 4.352 -3.148 2.108
148 1HB CYS 22 1HB CYS 22 3.792 -0.355 3.216
149 2HB CYS 22 2HB CYS 22 5.289 -0.605 2.570
150 H GLN 23 H GLN 23 4.507 -2.378 5.450
151 HA GLN 23 HA GLN 23 7.317 -2.859 5.966
152 1HB GLN 23 1HB GLN 23 4.933 -2.887 7.825
153 2HB GLN 23 2HB GLN 23 6.500 -2.989 8.236
154 1HG GLN 23 1HG GLN 23 5.030 -0.616 7.108
155 2HG GLN 23 2HG GLN 23 5.906 -0.680 8.615
156 1HE2 GLN 23 1HE2 GLN 23 6.090 1.294 6.135
157 2HE2 GLN 23 2HE2 GLN 23 7.613 0.784 5.256
158 H ARG 24 H ARG 24 4.555 -5.120 6.069
159 HA ARG 24 HA ARG 24 5.877 -7.546 6.598
160 1HB ARG 24 2HB ARG 24 3.205 -7.171 5.659
161 2HB ARG 24 1HB ARG 24 4.001 -7.346 4.165
162 1HG ARG 24 1HG ARG 24 2.972 -9.424 4.837
163 2HG ARG 24 2HG ARG 24 4.693 -9.686 4.746
164 1HD ARG 24 1HD ARG 24 3.865 -10.849 6.715
165 2HD ARG 24 2HD ARG 24 4.877 -9.537 7.262
166 HE ARG 24 HE ARG 24 2.982 -8.426 8.265
167 1HH1 ARG 24 2HH1 ARG 24 1.824 -11.178 6.330
168 2HH1 ARG 24 1HH1 ARG 24 0.163 -11.031 7.096
169 1HH2 ARG 24 1HH2 ARG 24 1.060 -8.354 9.066
170 2HH2 ARG 24 2HH2 ARG 24 -0.237 -9.540 8.540
171 1HN NH2 25 1HN NH2 25 7.083 -5.763 3.669
172 2HN NH2 25 2HN NH2 25 7.751 -7.350 3.016
Start of MODEL 7
1 1H HIS 1 1H HIS 1 -3.605 9.986 -1.224
2 2H HIS 1 2H HIS 1 -2.813 10.420 -2.607
3 3H HIS 1 3H HIS 1 -4.462 10.504 -2.538
4 HA HIS 1 HA HIS 1 -3.793 8.582 -3.839
5 1HB HIS 1 2HB HIS 1 -2.614 6.723 -2.893
6 2HB HIS 1 1HB HIS 1 -1.643 8.201 -3.021
7 HD1 HIS 1 HD1 HIS 1 -3.229 5.887 -0.275
8 HD2 HIS 1 HD2 HIS 1 -0.103 8.712 -1.037
9 HE1 HIS 1 HE1 HIS 1 -1.504 5.844 1.621
10 HE2 HIS 1 HE2 HIS 1 0.416 7.520 1.271
11 HA HYP 2 HA HYP 2 -7.486 6.272 -2.721
12 1HB HYP 2 1HB HYP 2 -5.694 4.139 -3.822
13 2HB HYP 2 2HB HYP 2 -7.374 4.357 -4.363
14 1HD HYP 2 1HD HYP 2 -4.039 5.705 -4.092
15 2HD HYP 2 2HD HYP 2 -4.258 7.101 -5.036
16 HOD HYP 2 HOD HYP 2 -10.205 3.790 0.050
17 HG HYP 2 HG HYP 2 -5.338 5.150 -5.943
18 HA HYP 3 HA HYP 3 -6.293 3.568 0.903
19 1HB HYP 3 1HB HYP 3 -7.299 1.034 -0.428
20 2HB HYP 3 2HB HYP 3 -7.614 1.666 1.188
21 1HD HYP 3 1HD HYP 3 -8.120 3.021 -2.585
22 2HD HYP 3 2HD HYP 3 -8.909 4.400 -1.793
23 HOD HYP 3 HOD HYP 3 -7.467 6.041 -6.219
24 HG HYP 3 HG HYP 3 -9.456 1.847 -0.871
25 H CYS 4 H CYS 4 -4.146 2.833 1.297
26 HA CYS 4 HA CYS 4 -2.664 1.832 -1.136
27 1HB CYS 4 1HB CYS 4 -1.580 3.590 0.373
28 2HB CYS 4 2HB CYS 4 -1.377 2.305 1.570
29 H CYS 5 H CYS 5 -4.176 0.394 1.752
30 HA CYS 5 HA CYS 5 -2.913 -2.144 0.869
31 1HB CYS 5 1HB CYS 5 -4.468 -1.875 3.504
32 2HB CYS 5 2HB CYS 5 -3.332 -3.107 2.993
33 H LEU 6 H LEU 6 -4.253 -2.745 -0.629
34 HA LEU 6 HA LEU 6 -7.163 -2.310 -0.463
35 1HB LEU 6 1HB LEU 6 -5.957 -0.998 -2.368
36 2HB LEU 6 2HB LEU 6 -5.497 -2.506 -3.035
37 HG LEU 6 HG LEU 6 -7.760 -3.111 -3.210
38 1HD1 LEU 6 1HD2 LEU 6 -9.721 -1.423 -3.068
39 2HD1 LEU 6 2HD2 LEU 6 -8.593 -0.263 -2.317
40 3HD1 LEU 6 3HD2 LEU 6 -9.023 -1.780 -1.486
41 1HD2 LEU 6 1HD1 LEU 6 -7.132 -0.525 -4.646
42 2HD2 LEU 6 2HD1 LEU 6 -6.721 -2.207 -5.124
43 3HD2 LEU 6 3HD1 LEU 6 -8.419 -1.685 -5.143
44 H TYR 7 H TYR 7 -7.890 -4.167 -0.474
45 HA TYR 7 HA TYR 7 -8.317 -6.459 -0.421
46 1HB TYR 7 1HB TYR 7 -5.913 -6.898 -2.194
47 2HB TYR 7 2HB TYR 7 -7.359 -7.900 -1.946
48 HD1 TYR 7 HD1 TYR 7 -9.597 -6.106 -2.833
49 HD2 TYR 7 HD2 TYR 7 -5.552 -6.191 -4.312
50 HE1 TYR 7 HE1 TYR 7 -10.278 -4.877 -4.855
51 HE2 TYR 7 HE2 TYR 7 -6.244 -4.990 -6.300
52 HH TYR 7 HH TYR 7 -9.644 -4.000 -6.784
53 H GLY 8 H GLY 8 -6.335 -5.136 1.091
54 1HA GLY 8 1HA GLY 8 -5.158 -5.586 3.172
55 2HA GLY 8 2HA GLY 8 -4.736 -7.202 2.587
56 H LYS 9 H LYS 9 -3.961 -5.727 -0.077
57 HA LYS 9 HA LYS 9 -1.109 -5.970 0.826
58 1HB LYS 9 1HB LYS 9 -2.566 -6.623 -1.865
59 2HB LYS 9 2HB LYS 9 -0.880 -6.972 -1.543
60 1HG LYS 9 2HG LYS 9 -1.466 -8.707 0.147
61 2HG LYS 9 1HG LYS 9 -3.156 -8.255 0.074
62 1HD LYS 9 1HD LYS 9 -2.969 -10.245 -1.183
63 2HD LYS 9 2HD LYS 9 -3.308 -8.976 -2.317
64 1HE LYS 9 1HE LYS 9 -0.748 -8.889 -2.966
65 2HE LYS 9 2HE LYS 9 -0.413 -10.141 -1.795
66 1HZ LYS 9 1HZ LYS 9 -0.707 -11.054 -3.998
67 2HZ LYS 9 2HZ LYS 9 -1.918 -11.629 -3.032
68 3HZ LYS 9 3HZ LYS 9 -2.236 -10.442 -4.136
69 H CYS 10 H CYS 10 0.300 -5.294 -0.233
70 HA CYS 10 HA CYS 10 0.375 -2.465 -0.015
71 1HB CYS 10 1HB CYS 10 1.791 -3.726 1.115
72 2HB CYS 10 2HB CYS 10 2.393 -4.596 -0.226
73 H ARG 11 H ARG 11 -0.511 -1.403 -1.731
74 HA ARG 11 HA ARG 11 0.266 -1.664 -4.442
75 1HB ARG 11 1HB ARG 11 -1.267 0.694 -3.140
76 2HB ARG 11 2HB ARG 11 -1.252 0.055 -4.776
77 1HG ARG 11 1HG ARG 11 -2.215 -2.170 -3.398
78 2HG ARG 11 2HG ARG 11 -2.915 -0.879 -2.456
79 1HD ARG 11 1HD ARG 11 -4.435 -0.530 -3.750
80 2HD ARG 11 2HD ARG 11 -3.401 0.154 -4.969
81 HE ARG 11 HE ARG 11 -3.463 -2.778 -4.844
82 1HH1 ARG 11 2HH2 ARG 11 -4.680 0.050 -6.616
83 2HH1 ARG 11 1HH2 ARG 11 -5.001 -0.951 -8.121
84 1HH2 ARG 11 1HH1 ARG 11 -3.938 -3.884 -6.668
85 2HH2 ARG 11 2HH1 ARG 11 -4.609 -3.027 -8.146
86 H ARG 12 H ARG 12 1.450 -0.404 -5.581
87 HA ARG 12 HA ARG 12 3.256 1.588 -4.485
88 1HB ARG 12 2HB ARG 12 4.464 1.513 -6.729
89 2HB ARG 12 1HB ARG 12 4.362 0.027 -5.822
90 1HG ARG 12 1HG ARG 12 4.172 -0.532 -8.097
91 2HG ARG 12 2HG ARG 12 2.636 -0.895 -7.352
92 1HD ARG 12 1HD ARG 12 1.612 1.168 -8.343
93 2HD ARG 12 2HD ARG 12 3.155 1.717 -8.983
94 HE ARG 12 HE ARG 12 1.395 -0.507 -10.057
95 1HH1 ARG 12 2HH1 ARG 12 4.575 1.065 -10.329
96 2HH1 ARG 12 1HH1 ARG 12 4.796 0.352 -12.005
97 1HH2 ARG 12 2HH2 ARG 12 1.754 -1.261 -11.966
98 2HH2 ARG 12 1HH2 ARG 12 3.306 -0.876 -12.867
99 H TYR 13 H TYR 13 1.350 2.893 -4.049
100 HA TYR 13 HA TYR 13 0.829 5.074 -6.096
101 1HB TYR 13 1HB TYR 13 -0.419 4.713 -3.296
102 2HB TYR 13 2HB TYR 13 -0.635 5.960 -4.403
103 HD1 TYR 13 HD1 TYR 13 -2.219 3.312 -3.041
104 HD2 TYR 13 HD2 TYR 13 -1.386 4.804 -6.997
105 HE1 TYR 13 HE1 TYR 13 -4.192 2.162 -3.897
106 HE2 TYR 13 HE2 TYR 13 -3.355 3.601 -7.847
107 HH TYR 13 HH TYR 13 -5.111 2.345 -7.335
108 HA HYP 14 HA HYP 14 3.956 7.503 -4.670
109 1HB HYP 14 1HB HYP 14 3.132 10.170 -4.637
110 2HB HYP 14 2HB HYP 14 3.440 9.248 -6.107
111 1HD HYP 14 1HD HYP 14 -0.077 7.686 -5.323
112 2HD HYP 14 2HD HYP 14 1.111 7.250 -6.493
113 HOD HYP 14 HOD HYP 14 1.675 9.325 -7.486
114 HG HYP 14 HG HYP 14 0.785 9.682 -4.820
115 H GLY 15 H GLY 15 4.550 6.977 -2.706
116 1HA GLY 15 1HA GLY 15 5.477 7.910 -0.546
117 2HA GLY 15 2HA GLY 15 4.009 8.860 -0.321
118 H CYS 16 H CYS 16 3.728 5.441 -1.264
119 HA CYS 16 HA CYS 16 2.682 4.683 1.434
120 1HB CYS 16 1HB CYS 16 1.140 4.473 -0.455
121 2HB CYS 16 2HB CYS 16 2.287 3.598 -1.468
122 H SER 17 H SER 17 5.566 4.493 -0.120
123 HA SER 17 HA SER 17 6.740 2.004 0.973
124 1HB SER 17 2HB SER 17 8.858 3.249 1.157
125 2HB SER 17 1HB SER 17 8.100 3.539 -0.403
126 HG SER 17 HG SER 17 7.271 5.502 0.459
127 H SER 18 H SER 18 5.107 4.513 2.618
128 HA SER 18 HA SER 18 5.729 3.250 5.237
129 1HB SER 18 1HB SER 18 5.667 5.371 6.410
130 2HB SER 18 2HB SER 18 6.725 5.588 4.999
131 HG SER 18 HG SER 18 5.261 7.291 5.263
132 H ALA 19 H ALA 19 3.594 2.808 3.162
133 HA ALA 19 HA ALA 19 1.316 2.584 5.082
134 1HB ALA 19 1HB ALA 19 0.736 2.399 2.719
135 2HB ALA 19 2HB ALA 19 1.792 0.956 2.542
136 3HB ALA 19 3HB ALA 19 0.354 0.906 3.585
137 H SER 20 H SER 20 1.045 0.969 6.367
138 HA SER 20 HA SER 20 3.030 -0.611 7.358
139 1HB SER 20 1HB SER 20 1.388 -1.290 8.875
140 2HB SER 20 2HB SER 20 1.355 0.396 8.584
141 HG SER 20 HG SER 20 -0.745 -0.528 8.696
142 H CYS 21 H CYS 21 0.280 -1.809 5.467
143 HA CYS 21 HA CYS 21 1.047 -4.672 5.238
144 1HB CYS 21 2HB CYS 21 -0.154 -4.563 2.988
145 2HB CYS 21 1HB CYS 21 -1.089 -3.990 4.368
146 H CYS 22 H CYS 22 2.638 -1.967 4.050
147 HA CYS 22 HA CYS 22 4.385 -3.129 1.960
148 1HB CYS 22 1HB CYS 22 3.847 -0.362 3.123
149 2HB CYS 22 2HB CYS 22 5.339 -0.608 2.457
150 H GLN 23 H GLN 23 4.589 -2.394 5.338
151 HA GLN 23 HA GLN 23 7.375 -2.926 5.773
152 1HB GLN 23 1HB GLN 23 5.024 -2.946 7.679
153 2HB GLN 23 2HB GLN 23 6.594 -3.030 8.081
154 1HG GLN 23 1HG GLN 23 5.107 -0.672 6.969
155 2HG GLN 23 2HG GLN 23 6.016 -0.738 8.456
156 1HE2 GLN 23 1HE2 GLN 23 6.170 1.271 6.025
157 2HE2 GLN 23 2HE2 GLN 23 7.672 0.772 5.101
158 H ARG 24 H ARG 24 4.675 -5.171 5.787
159 HA ARG 24 HA ARG 24 6.398 -7.289 7.285
160 1HB ARG 24 1HB ARG 24 4.314 -6.328 8.430
161 2HB ARG 24 2HB ARG 24 3.310 -7.033 7.163
162 1HG ARG 24 1HG ARG 24 4.154 -9.339 7.856
163 2HG ARG 24 2HG ARG 24 5.255 -8.618 9.013
164 1HD ARG 24 2HD ARG 24 2.167 -8.531 9.178
165 2HD ARG 24 1HD ARG 24 3.225 -9.610 10.081
166 HE ARG 24 HE ARG 24 4.108 -6.928 10.716
167 1HH1 ARG 24 1HH2 ARG 24 1.214 -8.930 11.227
168 2HH1 ARG 24 2HH2 ARG 24 0.820 -7.994 12.756
169 1HH2 ARG 24 2HH1 ARG 24 3.564 -5.932 12.468
170 2HH2 ARG 24 1HH1 ARG 24 2.063 -6.411 13.409
171 1HN NH2 25 1HN NH2 25 7.168 -7.732 4.706
172 2HN NH2 25 2HN NH2 25 6.216 -9.207 4.093
Start of MODEL 8
1 1H HIS 1 1H HIS 1 -4.479 10.374 -2.914
2 2H HIS 1 2H HIS 1 -3.623 9.981 -1.557
3 3H HIS 1 3H HIS 1 -2.834 10.232 -2.986
4 HA HIS 1 HA HIS 1 -3.880 8.298 -3.994
5 1HB HIS 1 2HB HIS 1 -2.737 6.529 -2.870
6 2HB HIS 1 1HB HIS 1 -1.727 7.962 -3.135
7 HD1 HIS 1 HD1 HIS 1 -3.163 5.737 -0.323
8 HD2 HIS 1 HD2 HIS 1 -0.306 8.798 -1.155
9 HE1 HIS 1 HE1 HIS 1 -1.419 5.842 1.530
10 HE2 HIS 1 HE2 HIS 1 0.341 7.681 1.156
11 HA HYP 2 HA HYP 2 -7.624 6.227 -2.564
12 1HB HYP 2 1HB HYP 2 -5.880 3.943 -3.431
13 2HB HYP 2 2HB HYP 2 -7.565 4.122 -3.971
14 1HD HYP 2 1HD HYP 2 -4.215 5.456 -3.931
15 2HD HYP 2 2HD HYP 2 -4.462 6.734 -5.035
16 HOD HYP 2 HOD HYP 2 -8.748 4.174 1.320
17 HG HYP 2 HG HYP 2 -5.532 4.663 -5.657
18 HA HYP 3 HA HYP 3 -6.281 3.696 1.242
19 1HB HYP 3 1HB HYP 3 -7.350 1.151 -0.035
20 2HB HYP 3 2HB HYP 3 -7.555 1.757 1.609
21 1HD HYP 3 1HD HYP 3 -8.341 3.088 -2.107
22 2HD HYP 3 2HD HYP 3 -9.037 4.509 -1.293
23 HOD HYP 3 HOD HYP 3 -7.375 6.739 -5.029
24 HG HYP 3 HG HYP 3 -9.560 1.977 -0.274
25 H CYS 4 H CYS 4 -4.118 2.899 1.554
26 HA CYS 4 HA CYS 4 -2.757 2.002 -0.975
27 1HB CYS 4 1HB CYS 4 -1.570 3.653 0.537
28 2HB CYS 4 2HB CYS 4 -1.341 2.330 1.686
29 H CYS 5 H CYS 5 -4.105 0.424 1.954
30 HA CYS 5 HA CYS 5 -2.841 -2.062 0.917
31 1HB CYS 5 1HB CYS 5 -4.411 -1.934 3.540
32 2HB CYS 5 2HB CYS 5 -3.298 -3.149 2.951
33 H LEU 6 H LEU 6 -4.203 -2.456 -0.701
34 HA LEU 6 HA LEU 6 -7.134 -2.042 -0.415
35 1HB LEU 6 1HB LEU 6 -5.953 -0.618 -2.277
36 2HB LEU 6 2HB LEU 6 -5.588 -2.118 -3.030
37 HG LEU 6 HG LEU 6 -7.814 -2.641 -3.223
38 1HD1 LEU 6 1HD2 LEU 6 -9.002 -1.382 -1.407
39 2HD1 LEU 6 2HD2 LEU 6 -9.715 -0.905 -2.957
40 3HD1 LEU 6 3HD2 LEU 6 -8.538 0.170 -2.149
41 1HD2 LEU 6 1HD1 LEU 6 -7.129 0.032 -4.495
42 2HD2 LEU 6 2HD1 LEU 6 -6.652 -1.599 -5.059
43 3HD2 LEU 6 3HD1 LEU 6 -8.367 -1.123 -5.110
44 H TYR 7 H TYR 7 -7.910 -3.897 -0.577
45 HA TYR 7 HA TYR 7 -8.354 -6.186 -0.745
46 1HB TYR 7 1HB TYR 7 -5.900 -6.467 -2.495
47 2HB TYR 7 2HB TYR 7 -7.326 -7.506 -2.360
48 HD1 TYR 7 HD1 TYR 7 -5.491 -5.592 -4.555
49 HD2 TYR 7 HD2 TYR 7 -9.558 -5.621 -3.142
50 HE1 TYR 7 HE1 TYR 7 -6.167 -4.290 -6.484
51 HE2 TYR 7 HE2 TYR 7 -10.227 -4.308 -5.112
52 HH TYR 7 HH TYR 7 -7.849 -3.305 -7.558
53 H GLY 8 H GLY 8 -6.314 -4.981 0.856
54 1HA GLY 8 1HA GLY 8 -5.239 -5.594 2.944
55 2HA GLY 8 2HA GLY 8 -4.832 -7.180 2.266
56 H LYS 9 H LYS 9 -3.881 -5.466 -0.319
57 HA LYS 9 HA LYS 9 -1.112 -5.872 0.859
58 1HB LYS 9 1HB LYS 9 -2.313 -6.580 -1.928
59 2HB LYS 9 2HB LYS 9 -0.683 -6.960 -1.412
60 1HG LYS 9 2HG LYS 9 -1.545 -8.588 0.288
61 2HG LYS 9 1HG LYS 9 -3.194 -8.126 -0.080
62 1HD LYS 9 1HD LYS 9 -2.873 -8.914 -2.480
63 2HD LYS 9 2HD LYS 9 -1.237 -9.390 -2.104
64 1HE LYS 9 2HE LYS 9 -2.145 -11.060 -0.281
65 2HE LYS 9 1HE LYS 9 -3.781 -10.577 -0.656
66 1HZ LYS 9 1HZ LYS 9 -3.437 -11.361 -2.952
67 2HZ LYS 9 2HZ LYS 9 -1.889 -11.818 -2.598
68 3HZ LYS 9 3HZ LYS 9 -3.161 -12.564 -1.854
69 H CYS 10 H CYS 10 0.355 -5.296 -0.238
70 HA CYS 10 HA CYS 10 0.589 -2.414 -0.197
71 1HB CYS 10 1HB CYS 10 1.849 -3.700 1.109
72 2HB CYS 10 2HB CYS 10 2.482 -4.674 -0.160
73 H ARG 11 H ARG 11 -0.308 -1.582 -2.051
74 HA ARG 11 HA ARG 11 0.950 -1.984 -4.710
75 1HB ARG 11 2HB ARG 11 -0.713 -0.147 -5.279
76 2HB ARG 11 1HB ARG 11 -1.157 -1.790 -5.197
77 1HG ARG 11 1HG ARG 11 -1.534 -0.076 -2.666
78 2HG ARG 11 2HG ARG 11 -2.378 0.386 -4.055
79 1HD ARG 11 1HD ARG 11 -3.046 -1.964 -2.332
80 2HD ARG 11 2HD ARG 11 -3.964 -0.762 -3.121
81 HE ARG 11 HE ARG 11 -3.462 -2.048 -5.262
82 1HH1 ARG 11 2HH2 ARG 11 -2.604 -3.968 -2.503
83 2HH1 ARG 11 1HH2 ARG 11 -2.393 -5.408 -3.621
84 1HH2 ARG 11 2HH1 ARG 11 -3.458 -3.711 -6.391
85 2HH2 ARG 11 1HH1 ARG 11 -2.839 -5.274 -5.657
86 H ARG 12 H ARG 12 2.196 -0.500 -5.431
87 HA ARG 12 HA ARG 12 3.310 1.672 -3.854
88 1HB ARG 12 1HB ARG 12 4.280 0.960 -6.552
89 2HB ARG 12 2HB ARG 12 5.153 1.941 -5.414
90 1HG ARG 12 1HG ARG 12 4.513 -1.048 -5.056
91 2HG ARG 12 2HG ARG 12 6.055 -0.376 -5.535
92 1HD ARG 12 2HD ARG 12 6.295 0.834 -3.303
93 2HD ARG 12 1HD ARG 12 4.686 0.280 -2.819
94 HE ARG 12 HE ARG 12 5.959 -2.141 -3.437
95 1HH1 ARG 12 2HH2 ARG 12 6.550 0.502 -1.128
96 2HH1 ARG 12 1HH2 ARG 12 7.270 -0.679 0.077
97 1HH2 ARG 12 2HH1 ARG 12 6.848 -3.398 -1.994
98 2HH2 ARG 12 1HH1 ARG 12 7.426 -2.737 -0.383
99 H TYR 13 H TYR 13 1.229 2.716 -3.933
100 HA TYR 13 HA TYR 13 0.743 4.804 -6.047
101 1HB TYR 13 1HB TYR 13 -0.574 4.492 -3.266
102 2HB TYR 13 2HB TYR 13 -0.861 5.637 -4.470
103 HD1 TYR 13 HD1 TYR 13 -1.160 3.758 -6.974
104 HD2 TYR 13 HD2 TYR 13 -2.604 3.396 -2.925
105 HE1 TYR 13 HE1 TYR 13 -3.069 2.443 -7.755
106 HE2 TYR 13 HE2 TYR 13 -4.503 2.102 -3.731
107 HH TYR 13 HH TYR 13 -4.923 1.348 -7.186
108 HA HYP 14 HA HYP 14 3.672 7.423 -4.723
109 1HB HYP 14 1HB HYP 14 2.720 10.064 -4.741
110 2HB HYP 14 2HB HYP 14 3.087 9.123 -6.184
111 1HD HYP 14 1HD HYP 14 -0.347 7.389 -5.391
112 2HD HYP 14 2HD HYP 14 0.883 6.980 -6.520
113 HOD HYP 14 HOD HYP 14 0.972 10.471 -6.893
114 HG HYP 14 HG HYP 14 0.402 9.436 -4.918
115 H GLY 15 H GLY 15 4.327 6.972 -2.768
116 1HA GLY 15 1HA GLY 15 5.264 7.938 -0.625
117 2HA GLY 15 2HA GLY 15 3.784 8.872 -0.401
118 H CYS 16 H CYS 16 3.706 5.386 -1.304
119 HA CYS 16 HA CYS 16 2.664 4.639 1.405
120 1HB CYS 16 1HB CYS 16 1.113 4.427 -0.489
121 2HB CYS 16 2HB CYS 16 2.257 3.538 -1.488
122 H SER 17 H SER 17 5.543 4.503 -0.163
123 HA SER 17 HA SER 17 6.716 1.979 0.895
124 1HB SER 17 1HB SER 17 7.964 4.795 0.751
125 2HB SER 17 2HB SER 17 8.839 3.327 1.196
126 HG SER 17 HG SER 17 9.026 3.809 -0.991
127 H SER 18 H SER 18 5.113 4.489 2.567
128 HA SER 18 HA SER 18 5.776 3.249 5.184
129 1HB SER 18 1HB SER 18 5.676 5.374 6.343
130 2HB SER 18 2HB SER 18 6.723 5.603 4.927
131 HG SER 18 HG SER 18 3.977 6.282 5.085
132 H ALA 19 H ALA 19 3.629 2.764 3.117
133 HA ALA 19 HA ALA 19 1.355 2.524 5.034
134 1HB ALA 19 1HB ALA 19 0.786 2.319 2.681
135 2HB ALA 19 2HB ALA 19 1.865 0.893 2.502
136 3HB ALA 19 3HB ALA 19 0.424 0.818 3.541
137 H SER 20 H SER 20 1.087 0.917 6.327
138 HA SER 20 HA SER 20 3.076 -0.639 7.337
139 1HB SER 20 1HB SER 20 1.430 -1.333 8.846
140 2HB SER 20 2HB SER 20 1.381 0.351 8.548
141 HG SER 20 HG SER 20 -0.372 -1.631 7.479
142 H CYS 21 H CYS 21 0.355 -1.873 5.427
143 HA CYS 21 HA CYS 21 1.156 -4.731 5.216
144 1HB CYS 21 2HB CYS 21 -0.043 -4.635 2.953
145 2HB CYS 21 1HB CYS 21 -0.988 -4.103 4.340
146 H CYS 22 H CYS 22 2.741 -2.011 4.057
147 HA CYS 22 HA CYS 22 4.501 -3.173 1.975
148 1HB CYS 22 1HB CYS 22 3.924 -0.398 3.090
149 2HB CYS 22 2HB CYS 22 5.436 -0.636 2.457
150 H GLN 23 H GLN 23 4.683 -2.402 5.343
151 HA GLN 23 HA GLN 23 7.471 -2.907 5.798
152 1HB GLN 23 1HB GLN 23 5.098 -2.941 7.677
153 2HB GLN 23 2HB GLN 23 6.659 -3.013 8.098
154 1HG GLN 23 1HG GLN 23 5.162 -0.664 6.968
155 2HG GLN 23 2HG GLN 23 6.062 -0.716 8.459
156 1HE2 GLN 23 1HE2 GLN 23 6.209 1.281 6.010
157 2HE2 GLN 23 2HE2 GLN 23 7.724 0.788 5.102
158 H ARG 24 H ARG 24 4.720 -5.214 5.830
159 HA ARG 24 HA ARG 24 6.528 -7.481 6.724
160 1HB ARG 24 1HB ARG 24 5.534 -6.090 8.702
161 2HB ARG 24 2HB ARG 24 3.929 -6.511 8.262
162 1HG ARG 24 2HG ARG 24 4.518 -8.981 8.654
163 2HG ARG 24 1HG ARG 24 6.185 -8.550 8.982
164 1HD ARG 24 2HD ARG 24 3.749 -7.777 10.716
165 2HD ARG 24 1HD ARG 24 4.881 -9.057 11.069
166 HE ARG 24 HE ARG 24 5.322 -6.114 11.479
167 1HH1 ARG 24 1HH1 ARG 24 6.970 -9.261 11.287
168 2HH1 ARG 24 2HH1 ARG 24 8.395 -8.584 12.224
169 1HH2 ARG 24 1HH2 ARG 24 6.993 -5.455 12.534
170 2HH2 ARG 24 2HH2 ARG 24 8.405 -6.575 12.881
171 1HN NH2 25 1HN NH2 25 4.031 -9.383 5.069
172 2HN NH2 25 2HN NH2 25 5.587 -9.600 6.093
Start of MODEL 9
1 1H HIS 1 1H HIS 1 -3.735 10.004 -1.505
2 2H HIS 1 2H HIS 1 -4.561 10.431 -2.871
3 3H HIS 1 3H HIS 1 -2.909 10.380 -2.886
4 HA HIS 1 HA HIS 1 -3.814 8.456 -4.043
5 1HB HIS 1 2HB HIS 1 -2.623 6.688 -2.978
6 2HB HIS 1 1HB HIS 1 -1.680 8.182 -3.131
7 HD1 HIS 1 HD1 HIS 1 -3.265 5.888 -0.384
8 HD2 HIS 1 HD2 HIS 1 -0.246 8.831 -1.110
9 HE1 HIS 1 HE1 HIS 1 -1.599 5.952 1.560
10 HE2 HIS 1 HE2 HIS 1 0.255 7.705 1.235
11 HA HYP 2 HA HYP 2 -7.492 6.140 -2.910
12 1HB HYP 2 1HB HYP 2 -5.616 3.979 -3.817
13 2HB HYP 2 2HB HYP 2 -7.284 4.118 -4.419
14 1HD HYP 2 1HD HYP 2 -3.993 5.580 -4.153
15 2HD HYP 2 2HD HYP 2 -4.245 6.915 -5.183
16 HOD HYP 2 HOD HYP 2 -10.193 3.743 0.011
17 HG HYP 2 HG HYP 2 -5.221 4.863 -5.986
18 HA HYP 3 HA HYP 3 -6.296 3.569 0.862
19 1HB HYP 3 1HB HYP 3 -7.256 1.001 -0.442
20 2HB HYP 3 2HB HYP 3 -7.588 1.645 1.168
21 1HD HYP 3 1HD HYP 3 -8.110 2.931 -2.619
22 2HD HYP 3 2HD HYP 3 -8.909 4.319 -1.865
23 HOD HYP 3 HOD HYP 3 -7.162 6.818 -5.290
24 HG HYP 3 HG HYP 3 -9.442 1.788 -0.876
25 H CYS 4 H CYS 4 -4.145 2.839 1.287
26 HA CYS 4 HA CYS 4 -2.629 1.849 -1.118
27 1HB CYS 4 1HB CYS 4 -1.548 3.566 0.414
28 2HB CYS 4 2HB CYS 4 -1.387 2.285 1.619
29 H CYS 5 H CYS 5 -4.154 0.397 1.783
30 HA CYS 5 HA CYS 5 -2.843 -2.153 0.995
31 1HB CYS 5 1HB CYS 5 -4.443 -1.819 3.578
32 2HB CYS 5 2HB CYS 5 -3.319 -3.072 3.099
33 H LEU 6 H LEU 6 -4.152 -2.726 -0.574
34 HA LEU 6 HA LEU 6 -7.052 -2.241 -0.498
35 1HB LEU 6 1HB LEU 6 -5.777 -0.994 -2.415
36 2HB LEU 6 2HB LEU 6 -5.344 -2.527 -3.029
37 HG LEU 6 HG LEU 6 -7.608 -3.115 -3.217
38 1HD1 LEU 6 1HD2 LEU 6 -8.886 -1.768 -1.529
39 2HD1 LEU 6 2HD2 LEU 6 -9.572 -1.428 -3.117
40 3HD1 LEU 6 3HD2 LEU 6 -8.447 -0.259 -2.371
41 1HD2 LEU 6 1HD1 LEU 6 -8.318 -1.786 -5.158
42 2HD2 LEU 6 2HD1 LEU 6 -6.612 -2.277 -5.163
43 3HD2 LEU 6 3HD1 LEU 6 -7.046 -0.580 -4.740
44 H TYR 7 H TYR 7 -7.816 -4.073 -0.446
45 HA TYR 7 HA TYR 7 -8.317 -6.348 -0.321
46 1HB TYR 7 1HB TYR 7 -5.945 -6.917 -2.098
47 2HB TYR 7 2HB TYR 7 -7.414 -7.870 -1.796
48 HD1 TYR 7 HD1 TYR 7 -5.643 -6.500 -4.307
49 HD2 TYR 7 HD2 TYR 7 -9.563 -5.842 -2.649
50 HE1 TYR 7 HE1 TYR 7 -6.293 -5.327 -6.326
51 HE2 TYR 7 HE2 TYR 7 -10.189 -4.625 -4.692
52 HH TYR 7 HH TYR 7 -9.565 -3.942 -6.702
53 H GLY 8 H GLY 8 -6.309 -5.060 1.159
54 1HA GLY 8 1HA GLY 8 -5.151 -5.527 3.252
55 2HA GLY 8 2HA GLY 8 -4.742 -7.147 2.665
56 H LYS 9 H LYS 9 -3.950 -5.712 -0.002
57 HA LYS 9 HA LYS 9 -1.091 -5.938 0.906
58 1HB LYS 9 1HB LYS 9 -2.551 -6.746 -1.737
59 2HB LYS 9 2HB LYS 9 -0.869 -7.091 -1.388
60 1HG LYS 9 2HG LYS 9 -1.475 -8.700 0.406
61 2HG LYS 9 1HG LYS 9 -3.171 -8.261 0.280
62 1HD LYS 9 1HD LYS 9 -3.194 -9.080 -2.130
63 2HD LYS 9 2HD LYS 9 -1.516 -9.540 -1.988
64 1HE LYS 9 1HE LYS 9 -2.138 -11.187 -0.029
65 2HE LYS 9 2HE LYS 9 -3.815 -10.718 -0.169
66 1HZ LYS 9 1HZ LYS 9 -3.361 -12.720 -1.415
67 2HZ LYS 9 2HZ LYS 9 -3.802 -11.535 -2.479
68 3HZ LYS 9 3HZ LYS 9 -2.216 -11.979 -2.347
69 H CYS 10 H CYS 10 0.305 -5.329 -0.251
70 HA CYS 10 HA CYS 10 0.334 -2.500 -0.085
71 1HB CYS 10 1HB CYS 10 1.780 -3.693 1.053
72 2HB CYS 10 2HB CYS 10 2.389 -4.582 -0.281
73 H ARG 11 H ARG 11 -0.684 -1.549 -1.822
74 HA ARG 11 HA ARG 11 0.100 -1.571 -4.521
75 1HB ARG 11 1HB ARG 11 -1.270 0.655 -2.814
76 2HB ARG 11 2HB ARG 11 -1.285 0.364 -4.537
77 1HG ARG 11 1HG ARG 11 -2.429 -1.958 -3.136
78 2HG ARG 11 2HG ARG 11 -3.246 -0.492 -2.690
79 1HD ARG 11 2HD ARG 11 -4.306 -0.214 -4.649
80 2HD ARG 11 1HD ARG 11 -2.789 -0.383 -5.561
81 HE ARG 11 HE ARG 11 -3.404 -2.871 -4.575
82 1HH1 ARG 11 1HH2 ARG 11 -4.461 -0.673 -7.151
83 2HH1 ARG 11 2HH2 ARG 11 -4.690 -2.051 -8.341
84 1HH2 ARG 11 2HH1 ARG 11 -3.769 -4.463 -6.059
85 2HH2 ARG 11 1HH1 ARG 11 -4.323 -4.056 -7.760
86 H ARG 12 H ARG 12 1.408 -0.332 -5.514
87 HA ARG 12 HA ARG 12 3.270 1.507 -4.230
88 1HB ARG 12 1HB ARG 12 3.494 0.705 -7.066
89 2HB ARG 12 2HB ARG 12 4.789 1.365 -6.111
90 1HG ARG 12 1HG ARG 12 3.521 -1.413 -5.742
91 2HG ARG 12 2HG ARG 12 5.073 -1.069 -6.472
92 1HD ARG 12 2HD ARG 12 5.973 -0.142 -4.275
93 2HD ARG 12 1HD ARG 12 4.383 -0.352 -3.526
94 HE ARG 12 HE ARG 12 4.978 -2.946 -4.504
95 1HH1 ARG 12 1HH1 ARG 12 6.381 -0.709 -2.118
96 2HH1 ARG 12 2HH1 ARG 12 6.947 -2.123 -1.096
97 1HH2 ARG 12 1HH2 ARG 12 5.705 -4.485 -3.273
98 2HH2 ARG 12 2HH2 ARG 12 6.589 -4.117 -1.708
99 H TYR 13 H TYR 13 1.377 2.932 -3.931
100 HA TYR 13 HA TYR 13 0.951 5.044 -6.054
101 1HB TYR 13 1HB TYR 13 -0.384 4.737 -3.283
102 2HB TYR 13 2HB TYR 13 -0.603 5.934 -4.438
103 HD1 TYR 13 HD1 TYR 13 -2.163 3.296 -3.035
104 HD2 TYR 13 HD2 TYR 13 -1.217 4.636 -7.019
105 HE1 TYR 13 HE1 TYR 13 -4.025 1.995 -3.919
106 HE2 TYR 13 HE2 TYR 13 -3.075 3.286 -7.896
107 HH TYR 13 HH TYR 13 -4.754 1.922 -7.413
108 HA HYP 14 HA HYP 14 3.962 7.579 -4.583
109 1HB HYP 14 1HB HYP 14 3.073 10.230 -4.595
110 2HB HYP 14 2HB HYP 14 3.453 9.303 -6.045
111 1HD HYP 14 1HD HYP 14 -0.046 7.656 -5.356
112 2HD HYP 14 2HD HYP 14 1.188 7.236 -6.480
113 HOD HYP 14 HOD HYP 14 1.403 10.717 -6.795
114 HG HYP 14 HG HYP 14 0.746 9.681 -4.852
115 H GLY 15 H GLY 15 4.502 7.072 -2.607
116 1HA GLY 15 1HA GLY 15 5.356 8.017 -0.420
117 2HA GLY 15 2HA GLY 15 3.862 8.935 -0.230
118 H CYS 16 H CYS 16 3.704 5.502 -1.191
119 HA CYS 16 HA CYS 16 2.659 4.704 1.500
120 1HB CYS 16 1HB CYS 16 1.121 4.484 -0.410
121 2HB CYS 16 2HB CYS 16 2.296 3.621 -1.399
122 H SER 17 H SER 17 5.551 4.585 -0.061
123 HA SER 17 HA SER 17 6.746 2.059 0.946
124 1HB SER 17 2HB SER 17 7.963 4.892 0.844
125 2HB SER 17 1HB SER 17 8.859 3.425 1.246
126 HG SER 17 HG SER 17 9.017 3.959 -0.931
127 H SER 18 H SER 18 5.128 4.526 2.672
128 HA SER 18 HA SER 18 5.784 3.186 5.242
129 1HB SER 18 1HB SER 18 5.775 5.267 6.486
130 2HB SER 18 2HB SER 18 6.808 5.518 5.061
131 HG SER 18 HG SER 18 4.091 6.284 5.292
132 H ALA 19 H ALA 19 3.618 2.816 3.196
133 HA ALA 19 HA ALA 19 1.383 2.552 5.161
134 1HB ALA 19 1HB ALA 19 1.797 0.964 2.585
135 2HB ALA 19 2HB ALA 19 0.384 0.904 3.659
136 3HB ALA 19 3HB ALA 19 0.749 2.408 2.805
137 H SER 20 H SER 20 1.151 0.918 6.427
138 HA SER 20 HA SER 20 3.157 -0.684 7.331
139 1HB SER 20 1HB SER 20 1.558 -1.389 8.881
140 2HB SER 20 2HB SER 20 1.522 0.302 8.623
141 HG SER 20 HG SER 20 -0.358 -0.060 7.297
142 H CYS 21 H CYS 21 0.349 -1.840 5.498
143 HA CYS 21 HA CYS 21 1.089 -4.699 5.186
144 1HB CYS 21 2HB CYS 21 -0.159 -4.523 2.967
145 2HB CYS 21 1HB CYS 21 -1.056 -3.970 4.380
146 H CYS 22 H CYS 22 2.668 -1.980 4.009
147 HA CYS 22 HA CYS 22 4.354 -3.115 1.856
148 1HB CYS 22 1HB CYS 22 3.854 -0.365 3.073
149 2HB CYS 22 2HB CYS 22 5.329 -0.600 2.368
150 H GLN 23 H GLN 23 4.664 -2.427 5.239
151 HA GLN 23 HA GLN 23 7.457 -2.996 5.591
152 1HB GLN 23 1HB GLN 23 5.145 -3.038 7.544
153 2HB GLN 23 2HB GLN 23 6.717 -3.149 7.910
154 1HG GLN 23 1HG GLN 23 5.224 -0.748 6.895
155 2HG GLN 23 2HG GLN 23 6.176 -0.855 8.353
156 1HE2 GLN 23 1HE2 GLN 23 6.262 1.207 5.954
157 2HE2 GLN 23 2HE2 GLN 23 7.746 0.733 4.990
158 H ARG 24 H ARG 24 4.659 -5.249 5.650
159 HA ARG 24 HA ARG 24 6.452 -7.571 6.431
160 1HB ARG 24 1HB ARG 24 5.522 -6.226 8.472
161 2HB ARG 24 2HB ARG 24 3.902 -6.605 8.050
162 1HG ARG 24 1HG ARG 24 4.456 -9.096 8.351
163 2HG ARG 24 2HG ARG 24 6.135 -8.705 8.669
164 1HD ARG 24 2HD ARG 24 3.738 -7.929 10.466
165 2HD ARG 24 1HD ARG 24 4.856 -9.263 10.742
166 HE ARG 24 HE ARG 24 6.492 -6.880 10.570
167 1HH1 ARG 24 1HH2 ARG 24 4.004 -8.210 12.734
168 2HH1 ARG 24 2HH2 ARG 24 4.721 -7.286 14.148
169 1HH2 ARG 24 2HH1 ARG 24 7.223 -5.875 12.248
170 2HH2 ARG 24 1HH1 ARG 24 6.421 -6.054 13.889
171 1HN NH2 25 1HN NH2 25 3.890 -9.381 4.771
172 2HN NH2 25 2HN NH2 25 5.468 -9.653 5.748
Start of MODEL 10
1 1H HIS 1 1H HIS 1 -3.743 9.987 -1.491
2 2H HIS 1 2H HIS 1 -2.907 10.350 -2.869
3 3H HIS 1 3H HIS 1 -4.557 10.412 -2.864
4 HA HIS 1 HA HIS 1 -3.815 8.426 -4.022
5 1HB HIS 1 2HB HIS 1 -2.636 6.655 -2.941
6 2HB HIS 1 1HB HIS 1 -1.690 8.149 -3.090
7 HD1 HIS 1 HD1 HIS 1 -3.275 5.842 -0.367
8 HD2 HIS 1 HD2 HIS 1 -0.280 8.814 -1.060
9 HE1 HIS 1 HE1 HIS 1 -1.615 5.899 1.578
10 HE2 HIS 1 HE2 HIS 1 0.224 7.673 1.277
11 HA HYP 2 HA HYP 2 -7.513 6.125 -2.887
12 1HB HYP 2 1HB HYP 2 -5.637 3.960 -3.784
13 2HB HYP 2 2HB HYP 2 -7.303 4.101 -4.390
14 1HD HYP 2 1HD HYP 2 -4.014 5.556 -4.117
15 2HD HYP 2 2HD HYP 2 -4.254 6.885 -5.159
16 HOD HYP 2 HOD HYP 2 -9.688 2.730 1.204
17 HG HYP 2 HG HYP 2 -5.232 4.832 -5.954
18 HA HYP 3 HA HYP 3 -6.291 3.563 0.887
19 1HB HYP 3 1HB HYP 3 -7.249 0.992 -0.413
20 2HB HYP 3 2HB HYP 3 -7.574 1.634 1.200
21 1HD HYP 3 1HD HYP 3 -8.123 2.913 -2.584
22 2HD HYP 3 2HD HYP 3 -8.923 4.301 -1.828
23 HOD HYP 3 HOD HYP 3 -6.258 6.759 -6.585
24 HG HYP 3 HG HYP 3 -9.443 1.771 -0.830
25 H CYS 4 H CYS 4 -4.133 2.845 1.296
26 HA CYS 4 HA CYS 4 -2.626 1.859 -1.115
27 1HB CYS 4 1HB CYS 4 -1.534 3.569 0.416
28 2HB CYS 4 2HB CYS 4 -1.375 2.284 1.619
29 H CYS 5 H CYS 5 -4.135 0.403 1.795
30 HA CYS 5 HA CYS 5 -2.831 -2.144 0.988
31 1HB CYS 5 1HB CYS 5 -4.434 -1.818 3.575
32 2HB CYS 5 2HB CYS 5 -3.309 -3.070 3.095
33 H LEU 6 H LEU 6 -4.138 -2.719 -0.573
34 HA LEU 6 HA LEU 6 -7.037 -2.216 -0.512
35 1HB LEU 6 1HB LEU 6 -5.747 -0.968 -2.413
36 2HB LEU 6 2HB LEU 6 -5.310 -2.500 -3.029
37 HG LEU 6 HG LEU 6 -7.573 -3.085 -3.240
38 1HD1 LEU 6 1HD2 LEU 6 -9.533 -1.396 -3.157
39 2HD1 LEU 6 2HD2 LEU 6 -8.863 -1.736 -1.562
40 3HD1 LEU 6 3HD2 LEU 6 -8.415 -0.228 -2.401
41 1HD2 LEU 6 1HD1 LEU 6 -6.552 -2.246 -5.173
42 2HD2 LEU 6 2HD1 LEU 6 -8.256 -1.749 -5.186
43 3HD2 LEU 6 3HD1 LEU 6 -6.984 -0.549 -4.751
44 H TYR 7 H TYR 7 -7.808 -4.044 -0.463
45 HA TYR 7 HA TYR 7 -8.319 -6.317 -0.336
46 1HB TYR 7 1HB TYR 7 -5.955 -6.898 -2.118
47 2HB TYR 7 2HB TYR 7 -7.429 -7.843 -1.813
48 HD1 TYR 7 HD1 TYR 7 -9.566 -5.791 -2.654
49 HD2 TYR 7 HD2 TYR 7 -5.662 -6.498 -4.332
50 HE1 TYR 7 HE1 TYR 7 -10.183 -4.554 -4.688
51 HE2 TYR 7 HE2 TYR 7 -6.304 -5.305 -6.344
52 HH TYR 7 HH TYR 7 -9.559 -3.874 -6.699
53 H GLY 8 H GLY 8 -6.306 -5.042 1.144
54 1HA GLY 8 1HA GLY 8 -5.151 -5.519 3.235
55 2HA GLY 8 2HA GLY 8 -4.747 -7.139 2.646
56 H LYS 9 H LYS 9 -3.947 -5.708 -0.018
57 HA LYS 9 HA LYS 9 -1.088 -5.937 0.893
58 1HB LYS 9 1HB LYS 9 -2.548 -6.725 -1.759
59 2HB LYS 9 2HB LYS 9 -0.863 -7.058 -1.414
60 1HG LYS 9 2HG LYS 9 -1.465 -8.700 0.370
61 2HG LYS 9 1HG LYS 9 -3.152 -8.258 0.244
62 1HD LYS 9 1HD LYS 9 -2.943 -10.313 -0.900
63 2HD LYS 9 2HD LYS 9 -3.262 -9.109 -2.108
64 1HE LYS 9 1HE LYS 9 -0.689 -9.053 -2.712
65 2HE LYS 9 2HE LYS 9 -0.376 -10.238 -1.469
66 1HZ LYS 9 1HZ LYS 9 -1.857 -11.794 -2.651
67 2HZ LYS 9 2HZ LYS 9 -0.628 -11.271 -3.623
68 3HZ LYS 9 3HZ LYS 9 -2.154 -10.670 -3.825
69 H CYS 10 H CYS 10 0.312 -5.320 -0.252
70 HA CYS 10 HA CYS 10 0.342 -2.487 -0.084
71 1HB CYS 10 1HB CYS 10 1.788 -3.686 1.057
72 2HB CYS 10 2HB CYS 10 2.395 -4.574 -0.277
73 H ARG 11 H ARG 11 -0.629 -1.492 -1.811
74 HA ARG 11 HA ARG 11 0.120 -1.572 -4.516
75 1HB ARG 11 1HB ARG 11 -1.221 0.654 -2.779
76 2HB ARG 11 2HB ARG 11 -1.277 0.412 -4.503
77 1HG ARG 11 1HG ARG 11 -2.381 -1.939 -3.107
78 2HG ARG 11 2HG ARG 11 -3.216 -0.468 -2.706
79 1HD ARG 11 2HD ARG 11 -4.221 -0.219 -4.701
80 2HD ARG 11 1HD ARG 11 -2.688 -0.449 -5.582
81 HE ARG 11 HE ARG 11 -3.385 -2.880 -4.515
82 1HH1 ARG 11 2HH2 ARG 11 -4.322 -0.763 -7.200
83 2HH1 ARG 11 1HH2 ARG 11 -4.542 -2.180 -8.346
84 1HH2 ARG 11 2HH1 ARG 11 -3.735 -4.522 -5.949
85 2HH2 ARG 11 1HH1 ARG 11 -4.230 -4.169 -7.680
86 H ARG 12 H ARG 12 1.299 -0.263 -5.618
87 HA ARG 12 HA ARG 12 3.290 1.537 -4.398
88 1HB ARG 12 2HB ARG 12 4.495 1.446 -6.670
89 2HB ARG 12 1HB ARG 12 4.379 -0.028 -5.744
90 1HG ARG 12 2HG ARG 12 4.147 -0.598 -8.024
91 2HG ARG 12 1HG ARG 12 2.627 -0.942 -7.236
92 1HD ARG 12 1HD ARG 12 1.605 1.155 -8.190
93 2HD ARG 12 2HD ARG 12 3.153 1.631 -8.917
94 HE ARG 12 HE ARG 12 2.466 -1.048 -9.882
95 1HH1 ARG 12 1HH2 ARG 12 1.285 2.290 -10.220
96 2HH1 ARG 12 2HH2 ARG 12 0.583 1.891 -11.868
97 1HH2 ARG 12 1HH1 ARG 12 1.635 -1.387 -11.772
98 2HH2 ARG 12 2HH1 ARG 12 0.769 -0.051 -12.685
99 H TYR 13 H TYR 13 1.440 2.917 -3.968
100 HA TYR 13 HA TYR 13 0.899 5.055 -6.051
101 1HB TYR 13 2HB TYR 13 -0.399 4.671 -3.276
102 2HB TYR 13 1HB TYR 13 -0.635 5.905 -4.402
103 HD1 TYR 13 HD1 TYR 13 -2.209 3.285 -3.028
104 HD2 TYR 13 HD2 TYR 13 -1.231 4.604 -7.012
105 HE1 TYR 13 HE1 TYR 13 -4.062 1.979 -3.919
106 HE2 TYR 13 HE2 TYR 13 -3.081 3.249 -7.896
107 HH TYR 13 HH TYR 13 -5.178 1.342 -5.738
108 HA HYP 14 HA HYP 14 3.931 7.584 -4.582
109 1HB HYP 14 1HB HYP 14 3.023 10.223 -4.550
110 2HB HYP 14 2HB HYP 14 3.385 9.319 -6.018
111 1HD HYP 14 1HD HYP 14 -0.093 7.645 -5.299
112 2HD HYP 14 2HD HYP 14 1.125 7.248 -6.448
113 HOD HYP 14 HOD HYP 14 1.317 10.734 -6.713
114 HG HYP 14 HG HYP 14 0.696 9.665 -4.776
115 H GLY 15 H GLY 15 4.514 7.069 -2.613
116 1HA GLY 15 1HA GLY 15 5.378 8.005 -0.431
117 2HA GLY 15 2HA GLY 15 3.884 8.920 -0.226
118 H CYS 16 H CYS 16 3.707 5.496 -1.191
119 HA CYS 16 HA CYS 16 2.668 4.695 1.500
120 1HB CYS 16 1HB CYS 16 1.132 4.474 -0.407
121 2HB CYS 16 2HB CYS 16 2.305 3.613 -1.401
122 H SER 17 H SER 17 5.559 4.579 -0.060
123 HA SER 17 HA SER 17 6.767 2.064 0.957
124 1HB SER 17 1HB SER 17 7.964 4.907 0.861
125 2HB SER 17 2HB SER 17 8.869 3.445 1.265
126 HG SER 17 HG SER 17 9.032 3.983 -0.910
127 H SER 18 H SER 18 5.131 4.525 2.675
128 HA SER 18 HA SER 18 5.784 3.193 5.249
129 1HB SER 18 1HB SER 18 5.769 5.276 6.490
130 2HB SER 18 2HB SER 18 6.804 5.526 5.067
131 HG SER 18 HG SER 18 4.084 6.287 5.290
132 H ALA 19 H ALA 19 3.624 2.813 3.201
133 HA ALA 19 HA ALA 19 1.383 2.553 5.160
134 1HB ALA 19 1HB ALA 19 1.805 0.959 2.589
135 2HB ALA 19 2HB ALA 19 0.389 0.901 3.660
136 3HB ALA 19 3HB ALA 19 0.756 2.403 2.803
137 H SER 20 H SER 20 1.151 0.921 6.431
138 HA SER 20 HA SER 20 3.156 -0.680 7.339
139 1HB SER 20 1HB SER 20 1.555 -1.384 8.889
140 2HB SER 20 2HB SER 20 1.518 0.307 8.628
141 HG SER 20 HG SER 20 -0.297 -1.629 7.580
142 H CYS 21 H CYS 21 0.353 -1.838 5.502
143 HA CYS 21 HA CYS 21 1.094 -4.697 5.196
144 1HB CYS 21 1HB CYS 21 -0.154 -4.526 2.977
145 2HB CYS 21 2HB CYS 21 -1.052 -3.969 4.387
146 H CYS 22 H CYS 22 2.671 -1.976 4.015
147 HA CYS 22 HA CYS 22 4.360 -3.115 1.867
148 1HB CYS 22 1HB CYS 22 3.862 -0.364 3.083
149 2HB CYS 22 2HB CYS 22 5.338 -0.600 2.380
150 H GLN 23 H GLN 23 4.668 -2.419 5.248
151 HA GLN 23 HA GLN 23 7.456 -3.009 5.610
152 1HB GLN 23 1HB GLN 23 5.139 -3.035 7.558
153 2HB GLN 23 2HB GLN 23 6.710 -3.147 7.926
154 1HG GLN 23 1HG GLN 23 5.222 -0.747 6.904
155 2HG GLN 23 2HG GLN 23 6.174 -0.852 8.362
156 1HE2 GLN 23 1HE2 GLN 23 6.264 1.211 5.968
157 2HE2 GLN 23 2HE2 GLN 23 7.749 0.740 5.006
158 H ARG 24 H ARG 24 4.648 -5.246 5.662
159 HA ARG 24 HA ARG 24 6.411 -7.569 6.524
160 1HB ARG 24 1HB ARG 24 5.434 -6.195 8.518
161 2HB ARG 24 2HB ARG 24 3.820 -6.538 8.035
162 1HG ARG 24 1HG ARG 24 4.306 -9.052 8.371
163 2HG ARG 24 2HG ARG 24 5.945 -8.638 8.849
164 1HD ARG 24 1HD ARG 24 4.695 -9.026 10.864
165 2HD ARG 24 2HD ARG 24 5.069 -7.320 10.829
166 HE ARG 24 HE ARG 24 2.325 -8.618 10.401
167 1HH1 ARG 24 1HH1 ARG 24 4.134 -5.574 10.772
168 2HH1 ARG 24 2HH1 ARG 24 2.564 -4.666 11.049
169 1HH2 ARG 24 2HH2 ARG 24 0.612 -7.482 10.728
170 2HH2 ARG 24 1HH2 ARG 24 0.709 -5.674 11.026
171 1HN NH2 25 1HN NH2 25 3.883 -9.393 4.823
172 2HN NH2 25 2HN NH2 25 5.443 -9.652 5.831
Start of MODEL 11
1 1H HIS 1 1H HIS 1 -4.567 10.563 -2.529
2 2H HIS 1 2H HIS 1 -2.918 10.490 -2.607
3 3H HIS 1 3H HIS 1 -3.700 10.045 -1.221
4 HA HIS 1 HA HIS 1 -3.894 8.651 -3.841
5 1HB HIS 1 2HB HIS 1 -2.700 6.797 -2.907
6 2HB HIS 1 1HB HIS 1 -1.735 8.275 -3.039
7 HD1 HIS 1 HD1 HIS 1 -3.360 6.012 -0.257
8 HD2 HIS 1 HD2 HIS 1 -0.143 8.719 -1.079
9 HE1 HIS 1 HE1 HIS 1 -1.625 5.939 1.630
10 HE2 HIS 1 HE2 HIS 1 0.350 7.542 1.243
11 HA HYP 2 HA HYP 2 -7.570 6.309 -2.723
12 1HB HYP 2 1HB HYP 2 -5.758 4.194 -3.822
13 2HB HYP 2 2HB HYP 2 -7.441 4.393 -4.361
14 1HD HYP 2 1HD HYP 2 -4.116 5.769 -4.100
15 2HD HYP 2 2HD HYP 2 -4.351 7.166 -5.036
16 HOD HYP 2 HOD HYP 2 -8.896 4.024 0.804
17 HG HYP 2 HG HYP 2 -5.421 5.212 -5.947
18 HA HYP 3 HA HYP 3 -6.369 3.599 0.906
19 1HB HYP 3 1HB HYP 3 -7.314 1.056 -0.458
20 2HB HYP 3 2HB HYP 3 -7.650 1.664 1.162
21 1HD HYP 3 1HD HYP 3 -8.155 3.039 -2.600
22 2HD HYP 3 2HD HYP 3 -8.978 4.404 -1.808
23 HOD HYP 3 HOD HYP 3 -6.423 7.198 -6.392
24 HG HYP 3 HG HYP 3 -9.489 1.838 -0.900
25 H CYS 4 H CYS 4 -4.209 2.880 1.313
26 HA CYS 4 HA CYS 4 -2.689 1.998 -1.121
27 1HB CYS 4 1HB CYS 4 -1.589 3.629 0.474
28 2HB CYS 4 2HB CYS 4 -1.449 2.305 1.637
29 H CYS 5 H CYS 5 -4.193 0.413 1.727
30 HA CYS 5 HA CYS 5 -2.875 -2.081 0.795
31 1HB CYS 5 1HB CYS 5 -4.414 -1.857 3.451
32 2HB CYS 5 2HB CYS 5 -3.282 -3.083 2.920
33 H LEU 6 H LEU 6 -4.217 -2.688 -0.699
34 HA LEU 6 HA LEU 6 -7.132 -2.268 -0.516
35 1HB LEU 6 1HB LEU 6 -5.954 -0.950 -2.422
36 2HB LEU 6 2HB LEU 6 -5.485 -2.454 -3.095
37 HG LEU 6 HG LEU 6 -7.740 -3.079 -3.263
38 1HD1 LEU 6 1HD2 LEU 6 -9.722 -1.418 -3.093
39 2HD1 LEU 6 2HD2 LEU 6 -9.010 -1.785 -1.520
40 3HD1 LEU 6 3HD2 LEU 6 -8.605 -0.253 -2.335
41 1HD2 LEU 6 1HD1 LEU 6 -8.440 -1.616 -5.171
42 2HD2 LEU 6 2HD1 LEU 6 -6.755 -2.174 -5.178
43 3HD2 LEU 6 3HD1 LEU 6 -7.120 -0.487 -4.683
44 H TYR 7 H TYR 7 -7.864 -4.121 -0.532
45 HA TYR 7 HA TYR 7 -8.300 -6.409 -0.487
46 1HB TYR 7 1HB TYR 7 -5.881 -6.857 -2.239
47 2HB TYR 7 2HB TYR 7 -7.329 -7.858 -1.997
48 HD1 TYR 7 HD1 TYR 7 -5.503 -6.160 -4.362
49 HD2 TYR 7 HD2 TYR 7 -9.555 -6.055 -2.903
50 HE1 TYR 7 HE1 TYR 7 -6.186 -4.978 -6.365
51 HE2 TYR 7 HE2 TYR 7 -10.227 -4.845 -4.939
52 HH TYR 7 HH TYR 7 -7.869 -4.033 -7.476
53 H GLY 8 H GLY 8 -6.324 -5.080 1.041
54 1HA GLY 8 1HA GLY 8 -5.192 -5.531 3.145
55 2HA GLY 8 2HA GLY 8 -4.777 -7.153 2.572
56 H LYS 9 H LYS 9 -3.948 -5.682 -0.094
57 HA LYS 9 HA LYS 9 -1.134 -5.922 0.864
58 1HB LYS 9 2HB LYS 9 -2.623 -6.564 -1.832
59 2HB LYS 9 1HB LYS 9 -0.920 -6.891 -1.587
60 1HG LYS 9 1HG LYS 9 -1.333 -8.673 0.002
61 2HG LYS 9 2HG LYS 9 -2.964 -8.160 0.260
62 1HD LYS 9 2HD LYS 9 -3.035 -10.177 -1.055
63 2HD LYS 9 1HD LYS 9 -3.622 -8.884 -2.052
64 1HE LYS 9 1HE LYS 9 -1.257 -8.731 -3.222
65 2HE LYS 9 2HE LYS 9 -0.673 -10.017 -2.195
66 1HZ LYS 9 1HZ LYS 9 -1.423 -10.859 -4.316
67 2HZ LYS 9 2HZ LYS 9 -2.397 -11.484 -3.137
68 3HZ LYS 9 3HZ LYS 9 -2.950 -10.265 -4.106
69 H CYS 10 H CYS 10 0.280 -5.323 -0.191
70 HA CYS 10 HA CYS 10 0.441 -2.445 -0.079
71 1HB CYS 10 1HB CYS 10 1.783 -3.721 1.153
72 2HB CYS 10 2HB CYS 10 2.401 -4.646 -0.154
73 H ARG 11 H ARG 11 -0.373 -1.436 -1.860
74 HA ARG 11 HA ARG 11 0.818 -1.919 -4.545
75 1HB ARG 11 2HB ARG 11 -1.024 -0.335 -5.177
76 2HB ARG 11 1HB ARG 11 -1.268 -2.064 -5.010
77 1HG ARG 11 2HG ARG 11 -2.606 -1.621 -2.833
78 2HG ARG 11 1HG ARG 11 -2.146 0.087 -2.978
79 1HD ARG 11 1HD ARG 11 -4.323 -0.461 -3.656
80 2HD ARG 11 2HD ARG 11 -3.448 0.259 -5.004
81 HE ARG 11 HE ARG 11 -3.431 -2.712 -4.979
82 1HH1 ARG 11 1HH2 ARG 11 -4.864 0.145 -6.515
83 2HH1 ARG 11 2HH2 ARG 11 -5.202 -0.823 -8.037
84 1HH2 ARG 11 2HH1 ARG 11 -3.964 -3.750 -6.723
85 2HH2 ARG 11 1HH1 ARG 11 -4.727 -2.876 -8.144
86 H ARG 12 H ARG 12 1.944 -0.461 -5.360
87 HA ARG 12 HA ARG 12 3.055 1.666 -3.835
88 1HB ARG 12 1HB ARG 12 4.039 0.910 -6.520
89 2HB ARG 12 2HB ARG 12 4.934 1.862 -5.382
90 1HG ARG 12 1HG ARG 12 4.147 -1.090 -4.979
91 2HG ARG 12 2HG ARG 12 5.719 -0.502 -5.474
92 1HD ARG 12 2HD ARG 12 5.990 0.761 -3.256
93 2HD ARG 12 1HD ARG 12 4.382 0.212 -2.759
94 HE ARG 12 HE ARG 12 5.646 -2.215 -3.375
95 1HH1 ARG 12 1HH1 ARG 12 6.341 0.452 -1.123
96 2HH1 ARG 12 2HH1 ARG 12 7.136 -0.714 0.049
97 1HH2 ARG 12 1HH2 ARG 12 6.616 -3.453 -1.971
98 2HH2 ARG 12 2HH2 ARG 12 7.280 -2.775 -0.401
99 H TYR 13 H TYR 13 1.055 2.844 -3.968
100 HA TYR 13 HA TYR 13 0.798 5.025 -6.028
101 1HB TYR 13 1HB TYR 13 -0.527 4.785 -3.243
102 2HB TYR 13 2HB TYR 13 -0.699 6.003 -4.385
103 HD1 TYR 13 HD1 TYR 13 -1.420 4.866 -6.961
104 HD2 TYR 13 HD2 TYR 13 -2.312 3.347 -3.030
105 HE1 TYR 13 HE1 TYR 13 -3.385 3.682 -7.846
106 HE2 TYR 13 HE2 TYR 13 -4.285 2.223 -3.917
107 HH TYR 13 HH TYR 13 -5.173 2.461 -7.362
108 HA HYP 14 HA HYP 14 3.910 7.418 -4.712
109 1HB HYP 14 1HB HYP 14 3.159 10.121 -4.745
110 2HB HYP 14 2HB HYP 14 3.454 9.150 -6.185
111 1HD HYP 14 1HD HYP 14 -0.101 7.685 -5.363
112 2HD HYP 14 2HD HYP 14 1.085 7.179 -6.504
113 HOD HYP 14 HOD HYP 14 0.222 9.640 -7.127
114 HG HYP 14 HG HYP 14 0.802 9.681 -4.928
115 H GLY 15 H GLY 15 4.462 6.892 -2.757
116 1HA GLY 15 1HA GLY 15 5.489 7.833 -0.626
117 2HA GLY 15 2HA GLY 15 4.046 8.815 -0.373
118 H CYS 16 H CYS 16 3.688 5.383 -1.303
119 HA CYS 16 HA CYS 16 2.688 4.663 1.421
120 1HB CYS 16 1HB CYS 16 1.093 4.465 -0.430
121 2HB CYS 16 2HB CYS 16 2.197 3.563 -1.465
122 H SER 17 H SER 17 5.536 4.422 -0.185
123 HA SER 17 HA SER 17 6.690 1.927 0.921
124 1HB SER 17 2HB SER 17 8.827 3.140 1.066
125 2HB SER 17 1HB SER 17 8.056 3.423 -0.489
126 HG SER 17 HG SER 17 8.861 5.315 0.452
127 H SER 18 H SER 18 5.113 4.479 2.558
128 HA SER 18 HA SER 18 5.767 3.255 5.188
129 1HB SER 18 1HB SER 18 5.698 5.397 6.322
130 2HB SER 18 2HB SER 18 6.743 5.594 4.900
131 HG SER 18 HG SER 18 4.006 6.311 5.058
132 H ALA 19 H ALA 19 3.605 2.776 3.140
133 HA ALA 19 HA ALA 19 1.345 2.573 5.083
134 1HB ALA 19 1HB ALA 19 0.377 0.868 3.608
135 2HB ALA 19 2HB ALA 19 1.801 0.931 2.547
136 3HB ALA 19 3HB ALA 19 0.731 2.365 2.740
137 H SER 20 H SER 20 1.071 0.963 6.376
138 HA SER 20 HA SER 20 3.054 -0.616 7.369
139 1HB SER 20 1HB SER 20 1.413 -1.295 8.889
140 2HB SER 20 2HB SER 20 1.380 0.391 8.595
141 HG SER 20 HG SER 20 -0.403 -1.568 7.535
142 H CYS 21 H CYS 21 0.302 -1.815 5.478
143 HA CYS 21 HA CYS 21 1.059 -4.678 5.256
144 1HB CYS 21 2HB CYS 21 -0.141 -4.585 3.017
145 2HB CYS 21 1HB CYS 21 -1.074 -3.968 4.378
146 H CYS 22 H CYS 22 2.674 -1.989 4.084
147 HA CYS 22 HA CYS 22 4.416 -3.160 1.990
148 1HB CYS 22 1HB CYS 22 3.870 -0.384 3.127
149 2HB CYS 22 2HB CYS 22 5.364 -0.634 2.466
150 H GLN 23 H GLN 23 4.620 -2.402 5.364
151 HA GLN 23 HA GLN 23 7.409 -2.902 5.790
152 1HB GLN 23 1HB GLN 23 5.063 -2.934 7.703
153 2HB GLN 23 2HB GLN 23 6.635 -3.005 8.103
154 1HG GLN 23 2HG GLN 23 5.134 -0.661 6.974
155 2HG GLN 23 1HG GLN 23 6.038 -0.712 8.464
156 1HE2 GLN 23 1HE2 GLN 23 6.191 1.276 6.016
157 2HE2 GLN 23 2HE2 GLN 23 7.694 0.769 5.096
158 H ARG 24 H ARG 24 4.736 -5.178 5.833
159 HA ARG 24 HA ARG 24 6.511 -7.267 7.305
160 1HB ARG 24 1HB ARG 24 4.438 -6.324 8.504
161 2HB ARG 24 2HB ARG 24 3.423 -7.027 7.270
162 1HG ARG 24 1HG ARG 24 3.450 -8.399 9.279
163 2HG ARG 24 2HG ARG 24 4.014 -9.306 7.891
164 1HD ARG 24 2HD ARG 24 6.423 -9.110 8.706
165 2HD ARG 24 1HD ARG 24 5.886 -8.133 10.060
166 HE ARG 24 HE ARG 24 4.979 -10.067 11.170
167 1HH1 ARG 24 2HH2 ARG 24 6.053 -10.982 7.903
168 2HH1 ARG 24 1HH2 ARG 24 5.940 -12.757 8.351
169 1HH2 ARG 24 2HH1 ARG 24 4.887 -12.111 11.566
170 2HH2 ARG 24 1HH1 ARG 24 5.324 -13.351 10.285
171 1HN NH2 25 1HN NH2 25 7.224 -7.731 4.720
172 2HN NH2 25 2HN NH2 25 6.272 -9.219 4.141
Start of MODEL 12
1 1H HIS 1 1H HIS 1 -3.916 10.074 -1.595
2 2H HIS 1 2H HIS 1 -4.693 10.447 -3.004
3 3H HIS 1 3H HIS 1 -3.043 10.381 -2.964
4 HA HIS 1 HA HIS 1 -3.927 8.415 -4.065
5 1HB HIS 1 2HB HIS 1 -2.767 6.696 -2.904
6 2HB HIS 1 1HB HIS 1 -1.824 8.194 -3.048
7 HD1 HIS 1 HD1 HIS 1 -3.391 5.834 -0.406
8 HD2 HIS 1 HD2 HIS 1 -0.534 8.955 -0.970
9 HE1 HIS 1 HE1 HIS 1 -1.778 5.918 1.565
10 HE2 HIS 1 HE2 HIS 1 -0.027 7.791 1.350
11 HA HYP 2 HA HYP 2 -7.654 6.138 -2.914
12 1HB HYP 2 1HB HYP 2 -5.726 3.958 -3.674
13 2HB HYP 2 2HB HYP 2 -7.384 4.048 -4.314
14 1HD HYP 2 1HD HYP 2 -4.120 5.558 -4.067
15 2HD HYP 2 2HD HYP 2 -4.374 6.844 -5.164
16 HOD HYP 2 HOD HYP 2 -10.229 3.704 0.218
17 HG HYP 2 HG HYP 2 -5.309 4.743 -5.880
18 HA HYP 3 HA HYP 3 -6.305 3.619 0.911
19 1HB HYP 3 1HB HYP 3 -7.238 1.039 -0.398
20 2HB HYP 3 2HB HYP 3 -7.524 1.649 1.234
21 1HD HYP 3 1HD HYP 3 -8.234 2.947 -2.508
22 2HD HYP 3 2HD HYP 3 -9.044 4.315 -1.735
23 HOD HYP 3 HOD HYP 3 -7.284 6.704 -5.309
24 HG HYP 3 HG HYP 3 -9.479 1.775 -0.714
25 H CYS 4 H CYS 4 -4.113 2.921 1.223
26 HA CYS 4 HA CYS 4 -2.652 2.068 -1.244
27 1HB CYS 4 1HB CYS 4 -1.457 3.566 0.404
28 2HB CYS 4 2HB CYS 4 -1.397 2.193 1.520
29 H CYS 5 H CYS 5 -4.040 0.453 1.701
30 HA CYS 5 HA CYS 5 -2.814 -2.058 0.710
31 1HB CYS 5 1HB CYS 5 -4.274 -1.787 3.417
32 2HB CYS 5 2HB CYS 5 -3.167 -3.030 2.878
33 H LEU 6 H LEU 6 -4.214 -2.746 -0.680
34 HA LEU 6 HA LEU 6 -7.108 -2.198 -0.467
35 1HB LEU 6 1HB LEU 6 -5.896 -0.988 -2.441
36 2HB LEU 6 2HB LEU 6 -5.513 -2.536 -3.055
37 HG LEU 6 HG LEU 6 -7.790 -3.087 -3.156
38 1HD1 LEU 6 1HD2 LEU 6 -8.990 -1.696 -1.458
39 2HD1 LEU 6 2HD2 LEU 6 -9.716 -1.387 -3.036
40 3HD1 LEU 6 3HD2 LEU 6 -8.567 -0.207 -2.347
41 1HD2 LEU 6 1HD1 LEU 6 -6.824 -2.308 -5.131
42 2HD2 LEU 6 2HD1 LEU 6 -8.480 -1.672 -5.108
43 3HD2 LEU 6 3HD1 LEU 6 -7.099 -0.586 -4.696
44 H TYR 7 H TYR 7 -7.883 -4.014 -0.348
45 HA TYR 7 HA TYR 7 -8.400 -6.280 -0.155
46 1HB TYR 7 1HB TYR 7 -6.138 -6.896 -2.057
47 2HB TYR 7 2HB TYR 7 -7.583 -7.837 -1.650
48 HD1 TYR 7 HD1 TYR 7 -5.979 -6.524 -4.286
49 HD2 TYR 7 HD2 TYR 7 -9.788 -5.827 -2.401
50 HE1 TYR 7 HE1 TYR 7 -6.730 -5.335 -6.262
51 HE2 TYR 7 HE2 TYR 7 -10.520 -4.598 -4.401
52 HH TYR 7 HH TYR 7 -8.398 -4.214 -7.229
53 H GLY 8 H GLY 8 -6.287 -4.987 1.186
54 1HA GLY 8 1HA GLY 8 -5.067 -5.448 3.243
55 2HA GLY 8 2HA GLY 8 -4.721 -7.084 2.676
56 H LYS 9 H LYS 9 -3.971 -5.692 -0.042
57 HA LYS 9 HA LYS 9 -1.112 -6.023 0.797
58 1HB LYS 9 2HB LYS 9 -2.633 -6.608 -1.872
59 2HB LYS 9 1HB LYS 9 -0.957 -7.023 -1.578
60 1HG LYS 9 2HG LYS 9 -1.577 -8.744 0.111
61 2HG LYS 9 1HG LYS 9 -3.250 -8.224 0.076
62 1HD LYS 9 1HD LYS 9 -3.171 -10.212 -1.192
63 2HD LYS 9 2HD LYS 9 -3.483 -8.925 -2.312
64 1HE LYS 9 2HE LYS 9 -0.936 -8.938 -3.017
65 2HE LYS 9 1HE LYS 9 -0.627 -10.208 -1.860
66 1HZ LYS 9 1HZ LYS 9 -1.007 -11.096 -4.060
67 2HZ LYS 9 2HZ LYS 9 -2.511 -10.422 -4.162
68 3HZ LYS 9 3HZ LYS 9 -2.218 -11.627 -3.071
69 H CYS 10 H CYS 10 0.318 -5.366 -0.209
70 HA CYS 10 HA CYS 10 0.478 -2.542 -0.074
71 1HB CYS 10 1HB CYS 10 1.828 -3.822 1.130
72 2HB CYS 10 2HB CYS 10 2.438 -4.731 -0.185
73 H ARG 11 H ARG 11 -0.429 -1.706 -1.884
74 HA ARG 11 HA ARG 11 0.677 -1.809 -4.540
75 1HB ARG 11 2HB ARG 11 -1.359 0.220 -3.549
76 2HB ARG 11 1HB ARG 11 -0.866 -0.043 -5.159
77 1HG ARG 11 2HG ARG 11 -1.464 -2.291 -5.100
78 2HG ARG 11 1HG ARG 11 -2.037 -2.249 -3.411
79 1HD ARG 11 1HD ARG 11 -3.783 -0.578 -3.797
80 2HD ARG 11 2HD ARG 11 -3.201 -0.210 -5.414
81 HE ARG 11 HE ARG 11 -3.723 -2.948 -4.580
82 1HH1 ARG 11 2HH2 ARG 11 -4.416 -0.470 -7.018
83 2HH1 ARG 11 1HH2 ARG 11 -4.863 -1.722 -8.282
84 1HH2 ARG 11 1HH1 ARG 11 -4.441 -4.372 -6.123
85 2HH2 ARG 11 2HH1 ARG 11 -4.876 -3.785 -7.806
86 H ARG 12 H ARG 12 1.189 -0.058 -5.666
87 HA ARG 12 HA ARG 12 3.284 1.571 -4.526
88 1HB ARG 12 1HB ARG 12 4.241 1.342 -6.808
89 2HB ARG 12 2HB ARG 12 3.854 -0.230 -6.187
90 1HG ARG 12 1HG ARG 12 1.924 1.216 -8.100
91 2HG ARG 12 2HG ARG 12 3.374 0.475 -8.732
92 1HD ARG 12 1HD ARG 12 2.753 -1.761 -8.045
93 2HD ARG 12 2HD ARG 12 1.509 -1.234 -6.949
94 HE ARG 12 HE ARG 12 1.254 -1.597 -9.899
95 1HH1 ARG 12 2HH2 ARG 12 -0.231 0.073 -7.130
96 2HH1 ARG 12 1HH2 ARG 12 -1.835 0.143 -8.019
97 1HH2 ARG 12 2HH1 ARG 12 -0.619 -1.458 -10.810
98 2HH2 ARG 12 1HH1 ARG 12 -2.036 -0.664 -9.958
99 H TYR 13 H TYR 13 1.309 2.966 -3.982
100 HA TYR 13 HA TYR 13 0.822 5.189 -5.984
101 1HB TYR 13 1HB TYR 13 -0.504 4.721 -3.236
102 2HB TYR 13 2HB TYR 13 -0.737 5.969 -4.342
103 HD1 TYR 13 HD1 TYR 13 -2.220 3.202 -3.084
104 HD2 TYR 13 HD2 TYR 13 -1.334 4.797 -6.980
105 HE1 TYR 13 HE1 TYR 13 -4.022 1.859 -4.042
106 HE2 TYR 13 HE2 TYR 13 -3.125 3.416 -7.938
107 HH TYR 13 HH TYR 13 -5.119 1.286 -5.889
108 HA HYP 14 HA HYP 14 3.841 7.657 -4.511
109 1HB HYP 14 1HB HYP 14 2.939 10.305 -4.345
110 2HB HYP 14 2HB HYP 14 3.279 9.463 -5.856
111 1HD HYP 14 1HD HYP 14 -0.184 7.752 -5.151
112 2HD HYP 14 2HD HYP 14 1.022 7.395 -6.323
113 HOD HYP 14 HOD HYP 14 1.512 9.531 -7.233
114 HG HYP 14 HG HYP 14 0.610 9.747 -4.556
115 H GLY 15 H GLY 15 4.475 7.059 -2.585
116 1HA GLY 15 1HA GLY 15 5.436 7.898 -0.403
117 2HA GLY 15 2HA GLY 15 3.966 8.827 -0.108
118 H CYS 16 H CYS 16 3.679 5.457 -1.204
119 HA CYS 16 HA CYS 16 2.667 4.574 1.464
120 1HB CYS 16 1HB CYS 16 1.136 4.409 -0.440
121 2HB CYS 16 2HB CYS 16 2.294 3.580 -1.467
122 H SER 17 H SER 17 5.549 4.457 -0.146
123 HA SER 17 HA SER 17 6.760 1.956 0.879
124 1HB SER 17 2HB SER 17 8.873 3.211 1.048
125 2HB SER 17 1HB SER 17 8.085 3.525 -0.491
126 HG SER 17 HG SER 17 7.260 5.465 0.422
127 H SER 18 H SER 18 5.177 4.451 2.599
128 HA SER 18 HA SER 18 5.840 3.167 5.194
129 1HB SER 18 1HB SER 18 5.799 5.279 6.382
130 2HB SER 18 2HB SER 18 6.838 5.502 4.958
131 HG SER 18 HG SER 18 4.111 6.243 5.152
132 H ALA 19 H ALA 19 3.681 2.734 3.149
133 HA ALA 19 HA ALA 19 1.412 2.523 5.075
134 1HB ALA 19 1HB ALA 19 0.822 2.325 2.713
135 2HB ALA 19 2HB ALA 19 0.454 0.830 3.582
136 3HB ALA 19 3HB ALA 19 1.887 0.889 2.534
137 H SER 20 H SER 20 1.161 0.919 6.378
138 HA SER 20 HA SER 20 3.148 -0.664 7.347
139 1HB SER 20 1HB SER 20 1.522 -1.346 8.880
140 2HB SER 20 2HB SER 20 1.487 0.341 8.591
141 HG SER 20 HG SER 20 -0.368 -0.049 7.237
142 H CYS 21 H CYS 21 0.390 -1.854 5.478
143 HA CYS 21 HA CYS 21 1.112 -4.721 5.237
144 1HB CYS 21 2HB CYS 21 -0.087 -4.616 3.014
145 2HB CYS 21 1HB CYS 21 -1.011 -3.945 4.356
146 H CYS 22 H CYS 22 2.730 -2.034 4.037
147 HA CYS 22 HA CYS 22 4.475 -3.223 1.962
148 1HB CYS 22 1HB CYS 22 3.936 -0.441 3.092
149 2HB CYS 22 2HB CYS 22 5.427 -0.689 2.430
150 H GLN 23 H GLN 23 4.690 -2.461 5.324
151 HA GLN 23 HA GLN 23 7.484 -3.004 5.756
152 1HB GLN 23 1HB GLN 23 5.130 -3.003 7.659
153 2HB GLN 23 2HB GLN 23 6.694 -3.102 8.060
154 1HG GLN 23 2HG GLN 23 5.223 -0.726 6.954
155 2HG GLN 23 1HG GLN 23 6.141 -0.796 8.435
156 1HE2 GLN 23 1HE2 GLN 23 6.283 1.200 5.984
157 2HE2 GLN 23 2HE2 GLN 23 7.779 0.691 5.056
158 H ARG 24 H ARG 24 4.686 -5.264 5.814
159 HA ARG 24 HA ARG 24 6.469 -7.562 6.647
160 1HB ARG 24 1HB ARG 24 5.552 -6.158 8.670
161 2HB ARG 24 2HB ARG 24 3.939 -6.554 8.275
162 1HG ARG 24 2HG ARG 24 4.648 -8.004 10.078
163 2HG ARG 24 1HG ARG 24 4.450 -9.016 8.666
164 1HD ARG 24 2HD ARG 24 6.438 -9.733 9.884
165 2HD ARG 24 1HD ARG 24 6.941 -9.095 8.320
166 HE ARG 24 HE ARG 24 7.065 -6.989 10.418
167 1HH1 ARG 24 1HH1 ARG 24 8.855 -9.800 9.180
168 2HH1 ARG 24 2HH1 ARG 24 10.422 -9.109 9.838
169 1HH2 ARG 24 2HH2 ARG 24 8.903 -6.298 11.123
170 2HH2 ARG 24 1HH2 ARG 24 10.445 -7.259 10.864
171 1HN NH2 25 1HN NH2 25 3.884 -9.420 5.081
172 2HN NH2 25 2HN NH2 25 5.460 -9.669 6.066
Start of MODEL 13
1 1H HIS 1 1H HIS 1 -4.830 10.572 -3.105
2 2H HIS 1 2H HIS 1 -4.037 10.159 -1.716
3 3H HIS 1 3H HIS 1 -3.178 10.540 -3.075
4 HA HIS 1 HA HIS 1 -4.028 8.606 -4.250
5 1HB HIS 1 2HB HIS 1 -2.864 6.832 -3.119
6 2HB HIS 1 1HB HIS 1 -1.917 8.321 -3.296
7 HD1 HIS 1 HD1 HIS 1 -3.492 6.055 -0.539
8 HD2 HIS 1 HD2 HIS 1 -0.625 9.165 -1.209
9 HE1 HIS 1 HE1 HIS 1 -1.942 6.288 1.484
10 HE2 HIS 1 HE2 HIS 1 -0.180 8.145 1.196
11 HA HYP 2 HA HYP 2 -7.682 6.190 -3.147
12 1HB HYP 2 1HB HYP 2 -5.759 4.100 -4.100
13 2HB HYP 2 2HB HYP 2 -7.428 4.221 -4.703
14 1HD HYP 2 1HD HYP 2 -4.171 5.720 -4.371
15 2HD HYP 2 2HD HYP 2 -4.402 7.059 -5.392
16 HOD HYP 2 HOD HYP 2 -8.982 3.991 0.444
17 HG HYP 2 HG HYP 2 -5.369 5.030 -6.244
18 HA HYP 3 HA HYP 3 -6.568 3.735 0.660
19 1HB HYP 3 1HB HYP 3 -7.202 1.083 -0.683
20 2HB HYP 3 2HB HYP 3 -7.675 1.668 0.913
21 1HD HYP 3 1HD HYP 3 -8.109 2.908 -2.896
22 2HD HYP 3 2HD HYP 3 -9.017 4.263 -2.178
23 HOD HYP 3 HOD HYP 3 -7.523 5.813 -6.639
24 HG HYP 3 HG HYP 3 -9.442 1.721 -1.186
25 H CYS 4 H CYS 4 -4.480 3.113 1.385
26 HA CYS 4 HA CYS 4 -2.405 2.581 -0.715
27 1HB CYS 4 1HB CYS 4 -1.636 4.014 1.100
28 2HB CYS 4 2HB CYS 4 -2.227 2.981 2.330
29 H CYS 5 H CYS 5 -4.197 0.622 1.746
30 HA CYS 5 HA CYS 5 -2.735 -1.762 0.694
31 1HB CYS 5 1HB CYS 5 -4.296 -1.673 3.364
32 2HB CYS 5 2HB CYS 5 -3.144 -2.870 2.811
33 H LEU 6 H LEU 6 -4.048 -2.533 -0.776
34 HA LEU 6 HA LEU 6 -6.961 -2.083 -0.680
35 1HB LEU 6 1HB LEU 6 -5.765 -0.899 -2.635
36 2HB LEU 6 2HB LEU 6 -5.255 -2.439 -3.194
37 HG LEU 6 HG LEU 6 -7.485 -3.114 -3.398
38 1HD1 LEU 6 1HD2 LEU 6 -8.839 -1.805 -1.767
39 2HD1 LEU 6 2HD2 LEU 6 -8.465 -0.290 -2.633
40 3HD1 LEU 6 3HD2 LEU 6 -9.513 -1.532 -3.375
41 1HD2 LEU 6 1HD1 LEU 6 -6.888 -0.583 -4.936
42 2HD2 LEU 6 2HD1 LEU 6 -6.475 -2.284 -5.337
43 3HD2 LEU 6 3HD1 LEU 6 -8.169 -1.765 -5.398
44 H TYR 7 H TYR 7 -7.707 -3.918 -0.572
45 HA TYR 7 HA TYR 7 -8.213 -6.183 -0.433
46 1HB TYR 7 1HB TYR 7 -5.751 -6.809 -2.071
47 2HB TYR 7 2HB TYR 7 -7.231 -7.752 -1.809
48 HD1 TYR 7 HD1 TYR 7 -5.297 -6.192 -4.211
49 HD2 TYR 7 HD2 TYR 7 -9.400 -6.034 -2.909
50 HE1 TYR 7 HE1 TYR 7 -5.916 -5.145 -6.310
51 HE2 TYR 7 HE2 TYR 7 -10.007 -4.963 -5.042
52 HH TYR 7 HH TYR 7 -7.564 -4.291 -7.539
53 H GLY 8 H GLY 8 -6.201 -4.818 1.069
54 1HA GLY 8 1HA GLY 8 -5.145 -5.264 3.232
55 2HA GLY 8 2HA GLY 8 -4.767 -6.904 2.693
56 H LYS 9 H LYS 9 -3.869 -5.466 0.013
57 HA LYS 9 HA LYS 9 -1.068 -5.768 0.976
58 1HB LYS 9 1HB LYS 9 -2.590 -6.470 -1.687
59 2HB LYS 9 2HB LYS 9 -0.897 -6.836 -1.435
60 1HG LYS 9 1HG LYS 9 -1.356 -8.547 0.219
61 2HG LYS 9 2HG LYS 9 -2.971 -7.979 0.460
62 1HD LYS 9 1HD LYS 9 -3.114 -10.033 -0.783
63 2HD LYS 9 2HD LYS 9 -3.654 -8.756 -1.827
64 1HE LYS 9 1HE LYS 9 -1.283 -8.729 -2.996
65 2HE LYS 9 2HE LYS 9 -0.747 -9.998 -1.923
66 1HZ LYS 9 1HZ LYS 9 -3.029 -10.231 -3.830
67 2HZ LYS 9 2HZ LYS 9 -2.521 -11.434 -2.817
68 3HZ LYS 9 3HZ LYS 9 -1.524 -10.887 -4.015
69 H CYS 10 H CYS 10 0.334 -5.229 -0.123
70 HA CYS 10 HA CYS 10 0.524 -2.355 -0.104
71 1HB CYS 10 1HB CYS 10 1.837 -3.606 1.186
72 2HB CYS 10 2HB CYS 10 2.467 -4.576 -0.092
73 H ARG 11 H ARG 11 -0.191 -1.324 -1.926
74 HA ARG 11 HA ARG 11 1.057 -1.902 -4.561
75 1HB ARG 11 2HB ARG 11 -0.848 -0.461 -5.293
76 2HB ARG 11 1HB ARG 11 -1.037 -2.178 -4.980
77 1HG ARG 11 2HG ARG 11 -2.441 -1.613 -2.894
78 2HG ARG 11 1HG ARG 11 -1.968 0.084 -3.093
79 1HD ARG 11 1HD ARG 11 -4.117 -0.450 -3.856
80 2HD ARG 11 2HD ARG 11 -3.168 0.168 -5.210
81 HE ARG 11 HE ARG 11 -3.224 -2.799 -5.005
82 1HH1 ARG 11 2HH1 ARG 11 -4.502 -0.005 -6.775
83 2HH1 ARG 11 1HH1 ARG 11 -4.793 -1.055 -8.252
84 1HH2 ARG 11 1HH2 ARG 11 -3.706 -3.927 -6.703
85 2HH2 ARG 11 2HH2 ARG 11 -4.373 -3.123 -8.212
86 H ARG 12 H ARG 12 2.010 -0.365 -5.585
87 HA ARG 12 HA ARG 12 3.207 1.719 -4.256
88 1HB ARG 12 1HB ARG 12 4.698 1.641 -6.203
89 2HB ARG 12 2HB ARG 12 4.353 0.036 -5.675
90 1HG ARG 12 1HG ARG 12 3.045 1.372 -8.144
91 2HG ARG 12 2HG ARG 12 4.541 0.472 -8.181
92 1HD ARG 12 2HD ARG 12 3.273 -1.630 -7.292
93 2HD ARG 12 1HD ARG 12 1.775 -0.692 -7.418
94 HE ARG 12 HE ARG 12 3.085 -0.512 -9.987
95 1HH1 ARG 12 2HH2 ARG 12 1.452 -2.951 -7.980
96 2HH1 ARG 12 1HH2 ARG 12 0.945 -3.876 -9.481
97 1HH2 ARG 12 1HH1 ARG 12 2.462 -1.656 -11.634
98 2HH2 ARG 12 2HH1 ARG 12 1.481 -3.190 -11.410
99 H TYR 13 H TYR 13 1.052 2.853 -4.136
100 HA TYR 13 HA TYR 13 0.796 5.179 -6.037
101 1HB TYR 13 1HB TYR 13 -0.621 4.839 -3.311
102 2HB TYR 13 2HB TYR 13 -0.792 6.007 -4.478
103 HD1 TYR 13 HD1 TYR 13 -1.384 4.730 -7.000
104 HD2 TYR 13 HD2 TYR 13 -2.337 3.309 -3.053
105 HE1 TYR 13 HE1 TYR 13 -3.296 3.459 -7.912
106 HE2 TYR 13 HE2 TYR 13 -4.254 2.092 -3.966
107 HH TYR 13 HH TYR 13 -5.057 2.190 -7.432
108 HA HYP 14 HA HYP 14 3.856 7.474 -4.374
109 1HB HYP 14 1HB HYP 14 3.062 10.162 -4.155
110 2HB HYP 14 2HB HYP 14 3.456 9.358 -5.674
111 1HD HYP 14 1HD HYP 14 -0.112 7.775 -5.213
112 2HD HYP 14 2HD HYP 14 1.143 7.389 -6.325
113 HOD HYP 14 HOD HYP 14 1.476 10.879 -6.360
114 HG HYP 14 HG HYP 14 0.731 9.718 -4.523
115 H GLY 15 H GLY 15 4.346 6.766 -2.467
116 1HA GLY 15 1HA GLY 15 5.258 7.388 -0.191
117 2HA GLY 15 2HA GLY 15 3.878 8.456 0.078
118 H CYS 16 H CYS 16 3.271 5.231 -1.148
119 HA CYS 16 HA CYS 16 2.136 4.253 1.461
120 1HB CYS 16 1HB CYS 16 0.661 4.302 -0.401
121 2HB CYS 16 2HB CYS 16 1.782 3.536 -1.550
122 H SER 17 H SER 17 5.032 3.891 -0.290
123 HA SER 17 HA SER 17 5.908 1.261 0.765
124 1HB SER 17 2HB SER 17 7.218 2.607 -0.922
125 2HB SER 17 1HB SER 17 7.595 3.803 0.325
126 HG SER 17 HG SER 17 8.559 2.095 1.521
127 H SER 18 H SER 18 5.178 4.246 2.425
128 HA SER 18 HA SER 18 6.270 3.284 5.003
129 1HB SER 18 1HB SER 18 6.097 5.544 5.874
130 2HB SER 18 2HB SER 18 6.979 5.592 4.340
131 HG SER 18 HG SER 18 5.021 6.188 3.320
132 H ALA 19 H ALA 19 3.554 2.826 3.332
133 HA ALA 19 HA ALA 19 1.663 2.671 5.604
134 1HB ALA 19 1HB ALA 19 0.973 2.744 3.244
135 2HB ALA 19 2HB ALA 19 0.333 1.314 4.079
136 3HB ALA 19 3HB ALA 19 1.690 1.122 2.961
137 H SER 20 H SER 20 1.192 0.945 6.663
138 HA SER 20 HA SER 20 3.144 -0.731 7.546
139 1HB SER 20 1HB SER 20 1.506 -1.443 9.068
140 2HB SER 20 2HB SER 20 1.515 0.256 8.852
141 HG SER 20 HG SER 20 -0.356 -0.023 7.497
142 H CYS 21 H CYS 21 0.346 -1.748 5.627
143 HA CYS 21 HA CYS 21 0.971 -4.637 5.305
144 1HB CYS 21 2HB CYS 21 -0.215 -4.437 3.091
145 2HB CYS 21 1HB CYS 21 -1.122 -3.751 4.438
146 H CYS 22 H CYS 22 2.695 -1.995 4.227
147 HA CYS 22 HA CYS 22 4.349 -3.153 2.069
148 1HB CYS 22 1HB CYS 22 3.872 -0.362 3.245
149 2HB CYS 22 2HB CYS 22 5.334 -0.637 2.556
150 H GLN 23 H GLN 23 4.650 -2.422 5.435
151 HA GLN 23 HA GLN 23 7.423 -2.959 5.784
152 1HB GLN 23 1HB GLN 23 5.143 -3.047 7.761
153 2HB GLN 23 2HB GLN 23 6.733 -3.155 8.103
154 1HG GLN 23 2HG GLN 23 5.223 -0.762 7.058
155 2HG GLN 23 1HG GLN 23 6.143 -0.840 8.532
156 1HE2 GLN 23 1HE2 GLN 23 6.279 1.196 6.106
157 2HE2 GLN 23 2HE2 GLN 23 7.736 0.641 5.140
158 H ARG 24 H ARG 24 4.736 -5.257 5.948
159 HA ARG 24 HA ARG 24 4.669 -7.697 6.006
160 1HB ARG 24 1HB ARG 24 4.849 -6.793 3.662
161 2HB ARG 24 2HB ARG 24 6.569 -6.653 3.818
162 1HG ARG 24 1HG ARG 24 6.782 -9.145 3.635
163 2HG ARG 24 2HG ARG 24 5.058 -9.351 3.896
164 1HD ARG 24 1HD ARG 24 5.640 -9.707 1.537
165 2HD ARG 24 2HD ARG 24 4.521 -8.378 1.679
166 HE ARG 24 HE ARG 24 7.482 -8.211 0.929
167 1HH1 ARG 24 1HH1 ARG 24 4.434 -6.419 1.348
168 2HH1 ARG 24 2HH1 ARG 24 5.141 -4.988 0.444
169 1HH2 ARG 24 1HH2 ARG 24 8.174 -6.525 -0.080
170 2HH2 ARG 24 2HH2 ARG 24 7.112 -5.046 -0.307
171 1HN NH2 25 1HN NH2 25 6.199 -7.511 8.335
172 2HN NH2 25 2HN NH2 25 7.650 -8.625 8.108