Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2849 | 1cnn RC | 4500 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 1H CYS 1 -8.255 7.707 1.198
2 2H CYS 1 2H CYS 1 -9.100 6.457 0.418
3 3H CYS 1 3H CYS 1 -8.741 6.336 2.075
4 HA CYS 1 HA CYS 1 -7.242 4.940 0.875
5 1HB CYS 1 1HB CYS 1 -5.739 5.882 -0.799
6 2HB CYS 1 2HB CYS 1 -7.389 6.130 -1.286
7 H LYS 2 H LYS 2 -5.113 4.723 1.492
8 HA LYS 2 HA LYS 2 -4.244 6.491 3.711
9 1HB LYS 2 1HB LYS 2 -3.639 3.618 2.940
10 2HB LYS 2 2HB LYS 2 -2.753 4.433 4.200
11 1HG LYS 2 1HG LYS 2 -4.591 3.043 5.107
12 2HG LYS 2 2HG LYS 2 -4.754 4.728 5.537
13 1HD LYS 2 1HD LYS 2 -6.523 5.060 3.921
14 2HD LYS 2 2HD LYS 2 -6.307 3.474 3.215
15 1HE LYS 2 1HE LYS 2 -8.238 3.538 4.777
16 2HE LYS 2 2HE LYS 2 -6.992 2.502 5.459
17 1HZ LYS 2 1HZ LYS 2 -7.201 5.375 6.123
18 2HZ LYS 2 2HZ LYS 2 -8.032 4.173 6.989
19 3HZ LYS 2 3HZ LYS 2 -6.334 4.165 6.941
20 H GLY 3 H GLY 3 -2.648 7.852 3.420
21 1HA GLY 3 1HA GLY 3 -1.187 8.230 1.022
22 2HA GLY 3 2HA GLY 3 -0.760 8.928 2.577
23 H LYS 4 H LYS 4 1.289 8.346 0.995
24 HA LYS 4 HA LYS 4 2.403 5.799 0.917
25 1HB LYS 4 1HB LYS 4 3.773 8.493 1.212
26 2HB LYS 4 2HB LYS 4 4.571 7.013 0.716
27 1HG LYS 4 1HG LYS 4 3.039 6.817 -1.227
28 2HG LYS 4 2HG LYS 4 2.222 8.297 -0.755
29 1HD LYS 4 1HD LYS 4 4.366 9.552 -1.014
30 2HD LYS 4 2HD LYS 4 5.166 8.073 -1.517
31 1HE LYS 4 1HE LYS 4 2.812 9.383 -2.955
32 2HE LYS 4 2HE LYS 4 4.484 9.414 -3.491
33 1HZ LYS 4 1HZ LYS 4 4.156 6.815 -3.237
34 2HZ LYS 4 2HZ LYS 4 2.550 7.251 -3.571
35 3HZ LYS 4 3HZ LYS 4 3.784 7.655 -4.665
36 H GLY 5 H GLY 5 3.390 4.488 2.245
37 1HA GLY 5 1HA GLY 5 4.414 3.576 4.114
38 2HA GLY 5 2HA GLY 5 4.756 5.197 4.683
39 H ALA 6 H ALA 6 1.469 4.892 4.110
40 HA ALA 6 HA ALA 6 0.899 4.797 6.996
41 1HB ALA 6 1HB ALA 6 -0.208 6.479 5.572
42 2HB ALA 6 2HB ALA 6 -0.924 5.200 4.606
43 3HB ALA 6 3HB ALA 6 -1.416 5.417 6.272
44 HA PRO 7 HA PRO 7 -0.121 0.600 7.295
45 1HB PRO 7 1HB PRO 7 -2.305 0.630 9.067
46 2HB PRO 7 2HB PRO 7 -0.606 0.704 9.498
47 1HG PRO 7 1HG PRO 7 -2.614 2.874 9.449
48 2HG PRO 7 2HG PRO 7 -1.121 2.764 10.369
49 1HD PRO 7 1HD PRO 7 -1.528 4.337 8.061
50 2HD PRO 7 2HD PRO 7 0.047 3.942 8.771
51 H CYS 8 H CYS 8 -0.732 0.336 5.152
52 HA CYS 8 HA CYS 8 -3.633 0.082 4.534
53 1HB CYS 8 1HB CYS 8 -2.828 0.048 2.170
54 2HB CYS 8 2HB CYS 8 -2.440 1.509 2.975
55 H ARG 9 H ARG 9 -3.600 -1.507 2.496
56 HA ARG 9 HA ARG 9 -2.284 -4.057 3.009
57 1HB ARG 9 1HB ARG 9 -4.495 -5.285 3.003
58 2HB ARG 9 2HB ARG 9 -4.191 -4.373 4.447
59 1HG ARG 9 1HG ARG 9 -6.053 -3.467 2.201
60 2HG ARG 9 2HG ARG 9 -6.571 -4.274 3.659
61 1HD ARG 9 1HD ARG 9 -5.257 -1.514 3.552
62 2HD ARG 9 2HD ARG 9 -6.923 -1.885 3.932
63 HE ARG 9 HE ARG 9 -5.245 -3.338 5.716
64 1HH1 ARG 9 1HH1 ARG 9 -6.251 -0.113 4.963
65 2HH1 ARG 9 2HH1 ARG 9 -6.016 0.463 6.577
66 1HH2 ARG 9 1HH2 ARG 9 -4.951 -2.639 7.774
67 2HH2 ARG 9 2HH2 ARG 9 -5.277 -0.992 8.196
68 H LYS 10 H LYS 10 -1.475 -4.426 1.201
69 HA LYS 10 HA LYS 10 -2.279 -3.442 -1.355
70 1HB LYS 10 1HB LYS 10 -0.494 -5.072 -2.166
71 2HB LYS 10 2HB LYS 10 0.023 -3.965 -0.923
72 1HG LYS 10 1HG LYS 10 0.955 -6.165 -0.487
73 2HG LYS 10 2HG LYS 10 -0.147 -5.719 0.795
74 1HD LYS 10 1HD LYS 10 -1.875 -7.166 -0.131
75 2HD LYS 10 2HD LYS 10 -0.858 -7.556 -1.512
76 1HE LYS 10 1HE LYS 10 -0.819 -9.346 0.221
77 2HE LYS 10 2HE LYS 10 0.768 -8.601 0.132
78 1HZ LYS 10 1HZ LYS 10 -1.298 -7.714 2.048
79 2HZ LYS 10 2HZ LYS 10 -0.183 -8.944 2.405
80 3HZ LYS 10 3HZ LYS 10 0.365 -7.372 2.068
81 H THR 11 H THR 11 -3.567 -5.809 0.485
82 HA THR 11 HA THR 11 -4.365 -7.903 -1.167
83 HB THR 11 HB THR 11 -5.913 -6.481 1.080
84 HG1 THR 11 HG1 THR 11 -3.965 -8.538 0.905
85 1HG2 THR 11 1HG2 THR 11 -5.985 -9.426 0.134
86 2HG2 THR 11 2HG2 THR 11 -6.941 -8.745 1.442
87 3HG2 THR 11 3HG2 THR 11 -7.273 -8.286 -0.219
88 H MET 12 H MET 12 -5.460 -4.670 -0.900
89 HA MET 12 HA MET 12 -7.065 -4.881 -3.379
90 1HB MET 12 1HB MET 12 -8.932 -3.604 -2.283
91 2HB MET 12 2HB MET 12 -8.683 -5.161 -1.517
92 1HG MET 12 1HG MET 12 -7.338 -4.102 0.256
93 2HG MET 12 2HG MET 12 -7.504 -2.545 -0.500
94 1HE MET 12 1HE MET 12 -9.877 -1.455 -0.933
95 2HE MET 12 2HE MET 12 -10.739 -1.157 0.561
96 3HE MET 12 3HE MET 12 -9.017 -0.806 0.484
97 H TYR 13 H TYR 13 -4.523 -3.628 -2.059
98 HA TYR 13 HA TYR 13 -3.295 -1.641 -2.180
99 1HB TYR 13 1HB TYR 13 -5.008 -1.368 -4.713
100 2HB TYR 13 2HB TYR 13 -3.483 -0.532 -4.431
101 HD1 TYR 13 HD1 TYR 13 -1.482 -2.184 -3.672
102 HD2 TYR 13 HD2 TYR 13 -4.910 -3.402 -5.890
103 HE1 TYR 13 HE1 TYR 13 -0.266 -4.146 -4.473
104 HE2 TYR 13 HE2 TYR 13 -3.688 -5.365 -6.688
105 HH TYR 13 HH TYR 13 -1.811 -6.744 -6.060
106 H ASP 14 H ASP 14 -4.471 -1.137 -0.330
107 HA ASP 14 HA ASP 14 -6.732 0.683 -0.317
108 1HB ASP 14 1HB ASP 14 -6.518 -1.004 1.357
109 2HB ASP 14 2HB ASP 14 -4.899 -0.538 1.744
110 H CYS 15 H CYS 15 -3.764 1.382 -1.216
111 HA CYS 15 HA CYS 15 -3.499 3.898 0.348
112 1HB CYS 15 1HB CYS 15 -1.607 2.650 -1.603
113 2HB CYS 15 2HB CYS 15 -1.272 4.032 -0.589
114 H CYS 16 H CYS 16 -2.938 5.859 -0.533
115 HA CYS 16 HA CYS 16 -4.532 6.692 -2.793
116 1HB CYS 16 1HB CYS 16 -2.345 8.165 -1.274
117 2HB CYS 16 2HB CYS 16 -3.554 8.889 -2.291
118 H SER 17 H SER 17 -1.284 5.840 -2.045
119 HA SER 17 HA SER 17 0.119 6.765 -4.343
120 1HB SER 17 1HB SER 17 1.261 5.953 -2.255
121 2HB SER 17 2HB SER 17 0.688 4.311 -2.582
122 HG SER 17 HG SER 17 2.167 5.875 -4.424
123 H GLY 18 H GLY 18 -2.052 4.176 -3.781
124 1HA GLY 18 1HA GLY 18 -3.211 2.910 -5.399
125 2HA GLY 18 2HA GLY 18 -2.053 3.447 -6.611
126 H SER 19 H SER 19 -0.141 2.443 -4.232
127 HA SER 19 HA SER 19 -0.291 -0.450 -4.855
128 1HB SER 19 1HB SER 19 2.159 -0.440 -5.543
129 2HB SER 19 2HB SER 19 1.152 0.505 -6.648
130 HG SER 19 HG SER 19 2.919 1.358 -4.655
131 H CYS 20 H CYS 20 -0.822 -0.754 -2.712
132 HA CYS 20 HA CYS 20 0.891 0.182 -0.567
133 1HB CYS 20 1HB CYS 20 -1.464 -0.265 -0.152
134 2HB CYS 20 2HB CYS 20 -1.321 -1.902 -0.630
135 H GLY 21 H GLY 21 1.860 -1.324 0.915
136 1HA GLY 21 1HA GLY 21 3.644 -3.234 -0.469
137 2HA GLY 21 2HA GLY 21 3.933 -2.501 1.096
138 H ARG 22 H ARG 22 4.269 -5.136 0.488
139 HA ARG 22 HA ARG 22 2.076 -6.784 1.486
140 1HB ARG 22 1HB ARG 22 5.028 -7.458 1.100
141 2HB ARG 22 2HB ARG 22 3.750 -8.625 1.387
142 1HG ARG 22 1HG ARG 22 2.634 -7.891 -0.749
143 2HG ARG 22 2HG ARG 22 3.948 -6.765 -1.030
144 1HD ARG 22 1HD ARG 22 4.318 -8.858 -2.304
145 2HD ARG 22 2HD ARG 22 5.566 -8.670 -1.074
146 HE ARG 22 HE ARG 22 3.374 -10.159 0.013
147 1HH1 ARG 22 1HH1 ARG 22 5.993 -10.413 -2.243
148 2HH1 ARG 22 2HH1 ARG 22 6.144 -12.127 -2.046
149 1HH2 ARG 22 1HH2 ARG 22 3.546 -12.326 0.276
150 2HH2 ARG 22 2HH2 ARG 22 4.739 -13.227 -0.600
151 H ARG 23 H ARG 23 4.423 -4.826 2.793
152 HA ARG 23 HA ARG 23 4.861 -6.160 5.353
153 1HB ARG 23 1HB ARG 23 5.342 -3.260 4.540
154 2HB ARG 23 2HB ARG 23 6.019 -4.062 5.945
155 1HG ARG 23 1HG ARG 23 7.298 -5.594 4.483
156 2HG ARG 23 2HG ARG 23 6.574 -4.872 3.055
157 1HD ARG 23 1HD ARG 23 8.793 -3.883 3.441
158 2HD ARG 23 2HD ARG 23 7.557 -2.661 3.691
159 HE ARG 23 HE ARG 23 8.123 -3.949 6.184
160 1HH1 ARG 23 1HH1 ARG 23 9.477 -1.756 3.867
161 2HH1 ARG 23 2HH1 ARG 23 10.437 -0.925 5.044
162 1HH2 ARG 23 1HH2 ARG 23 9.329 -2.912 7.692
163 2HH2 ARG 23 2HH2 ARG 23 10.353 -1.589 7.244
164 H GLY 24 H GLY 24 2.665 -4.009 3.871
165 1HA GLY 24 1HA GLY 24 0.421 -3.726 4.759
166 2HA GLY 24 2HA GLY 24 1.090 -3.716 6.390
167 H LYS 25 H LYS 25 3.113 -1.996 4.290
168 HA LYS 25 HA LYS 25 1.834 0.601 5.139
169 1HB LYS 25 1HB LYS 25 4.731 0.201 4.380
170 2HB LYS 25 2HB LYS 25 4.017 1.619 5.077
171 1HG LYS 25 1HG LYS 25 4.213 -1.015 6.576
172 2HG LYS 25 2HG LYS 25 5.255 0.372 6.818
173 1HD LYS 25 1HD LYS 25 3.278 1.755 7.470
174 2HD LYS 25 2HD LYS 25 2.222 0.379 7.233
175 1HE LYS 25 1HE LYS 25 2.772 0.624 9.618
176 2HE LYS 25 2HE LYS 25 3.462 -0.870 9.004
177 1HZ LYS 25 1HZ LYS 25 5.044 1.607 8.996
178 2HZ LYS 25 2HZ LYS 25 4.899 0.685 10.415
179 3HZ LYS 25 3HZ LYS 25 5.575 -0.004 9.017
180 H CYS 26 H CYS 26 1.914 2.261 3.682
181 HA CYS 26 HA CYS 26 1.340 1.481 0.964
182 1HB CYS 26 1HB CYS 26 1.512 4.151 2.287
183 2HB CYS 26 2HB CYS 26 1.010 3.947 0.629
184 1HN NH2 27 1HT NH2 27 2.133 2.488 -1.019
185 2HN NH2 27 2HT NH2 27 3.787 2.797 -1.188
Start of MODEL 2
1 1H CYS 1 1H CYS 1 -8.036 8.099 0.825
2 2H CYS 1 2H CYS 1 -8.982 6.863 0.144
3 3H CYS 1 3H CYS 1 -8.602 6.829 1.800
4 HA CYS 1 HA CYS 1 -7.239 5.250 0.660
5 1HB CYS 1 1HB CYS 1 -5.667 5.991 -1.055
6 2HB CYS 1 2HB CYS 1 -7.298 6.319 -1.559
7 H LYS 2 H LYS 2 -5.351 4.808 1.593
8 HA LYS 2 HA LYS 2 -4.341 6.579 3.685
9 1HB LYS 2 1HB LYS 2 -3.739 3.757 2.801
10 2HB LYS 2 2HB LYS 2 -2.765 4.535 4.007
11 1HG LYS 2 1HG LYS 2 -4.522 3.040 4.933
12 2HG LYS 2 2HG LYS 2 -4.557 4.661 5.563
13 1HD LYS 2 1HD LYS 2 -6.430 3.801 3.331
14 2HD LYS 2 2HD LYS 2 -6.776 3.500 5.018
15 1HE LYS 2 1HE LYS 2 -6.366 6.307 3.890
16 2HE LYS 2 2HE LYS 2 -7.899 5.552 4.235
17 1HZ LYS 2 1HZ LYS 2 -6.950 5.212 6.543
18 2HZ LYS 2 2HZ LYS 2 -5.763 6.340 6.094
19 3HZ LYS 2 3HZ LYS 2 -7.402 6.786 6.091
20 H GLY 3 H GLY 3 -2.690 7.785 3.632
21 1HA GLY 3 1HA GLY 3 -1.229 8.419 1.247
22 2HA GLY 3 2HA GLY 3 -0.788 8.965 2.858
23 H LYS 4 H LYS 4 1.226 8.399 1.162
24 HA LYS 4 HA LYS 4 2.187 5.745 1.021
25 1HB LYS 4 1HB LYS 4 3.132 7.670 -0.254
26 2HB LYS 4 2HB LYS 4 3.763 8.315 1.253
27 1HG LYS 4 1HG LYS 4 5.216 6.328 1.537
28 2HG LYS 4 2HG LYS 4 4.502 5.571 0.132
29 1HD LYS 4 1HD LYS 4 6.701 6.458 -0.441
30 2HD LYS 4 2HD LYS 4 5.479 7.345 -1.319
31 1HE LYS 4 1HE LYS 4 6.821 8.343 1.227
32 2HE LYS 4 2HE LYS 4 7.280 8.821 -0.396
33 1HZ LYS 4 1HZ LYS 4 4.631 9.302 -0.364
34 2HZ LYS 4 2HZ LYS 4 5.089 9.701 1.222
35 3HZ LYS 4 3HZ LYS 4 5.845 10.456 -0.096
36 H GLY 5 H GLY 5 3.289 4.457 2.342
37 1HA GLY 5 1HA GLY 5 4.372 3.615 4.223
38 2HA GLY 5 2HA GLY 5 4.638 5.256 4.774
39 H ALA 6 H ALA 6 1.366 4.719 4.165
40 HA ALA 6 HA ALA 6 0.814 4.570 7.070
41 1HB ALA 6 1HB ALA 6 -1.004 5.160 4.719
42 2HB ALA 6 2HB ALA 6 -1.487 5.265 6.401
43 3HB ALA 6 3HB ALA 6 -0.269 6.359 5.766
44 HA PRO 7 HA PRO 7 -0.242 0.350 7.090
45 1HB PRO 7 1HB PRO 7 -2.518 0.406 8.800
46 2HB PRO 7 2HB PRO 7 -0.839 0.177 9.248
47 1HG PRO 7 1HG PRO 7 -2.519 2.554 9.567
48 2HG PRO 7 2HG PRO 7 -0.976 2.183 10.321
49 1HD PRO 7 1HD PRO 7 -1.417 4.056 8.228
50 2HD PRO 7 2HD PRO 7 0.157 3.480 8.806
51 H CYS 8 H CYS 8 -0.817 -0.089 5.049
52 HA CYS 8 HA CYS 8 -3.709 -0.063 4.299
53 1HB CYS 8 1HB CYS 8 -2.837 -0.201 1.980
54 2HB CYS 8 2HB CYS 8 -2.427 1.267 2.771
55 H ARG 9 H ARG 9 -3.983 -1.636 2.424
56 HA ARG 9 HA ARG 9 -2.862 -4.315 2.962
57 1HB ARG 9 1HB ARG 9 -5.179 -5.305 2.731
58 2HB ARG 9 2HB ARG 9 -4.933 -4.416 4.203
59 1HG ARG 9 1HG ARG 9 -6.327 -3.176 1.797
60 2HG ARG 9 2HG ARG 9 -7.193 -4.090 3.008
61 1HD ARG 9 1HD ARG 9 -5.551 -1.568 3.572
62 2HD ARG 9 2HD ARG 9 -7.302 -1.671 3.504
63 HE ARG 9 HE ARG 9 -6.776 -3.566 5.347
64 1HH1 ARG 9 1HH1 ARG 9 -5.538 -0.348 4.979
65 2HH1 ARG 9 2HH1 ARG 9 -5.296 -0.132 6.678
66 1HH2 ARG 9 1HH2 ARG 9 -6.476 -3.309 7.492
67 2HH2 ARG 9 2HH2 ARG 9 -5.831 -1.829 8.121
68 H LYS 10 H LYS 10 -2.175 -5.063 1.291
69 HA LYS 10 HA LYS 10 -2.221 -4.036 -1.366
70 1HB LYS 10 1HB LYS 10 -1.740 -6.972 -0.622
71 2HB LYS 10 2HB LYS 10 -1.233 -6.179 -2.085
72 1HG LYS 10 1HG LYS 10 0.688 -6.481 -0.632
73 2HG LYS 10 2HG LYS 10 0.354 -4.782 -0.843
74 1HD LYS 10 1HD LYS 10 0.951 -5.445 1.480
75 2HD LYS 10 2HD LYS 10 -0.540 -4.584 1.425
76 1HE LYS 10 1HE LYS 10 -1.668 -6.922 1.541
77 2HE LYS 10 2HE LYS 10 -0.055 -7.611 1.668
78 1HZ LYS 10 1HZ LYS 10 -1.153 -5.579 3.519
79 2HZ LYS 10 2HZ LYS 10 -1.175 -7.252 3.809
80 3HZ LYS 10 3HZ LYS 10 0.307 -6.432 3.681
81 H THR 11 H THR 11 -3.952 -6.322 0.376
82 HA THR 11 HA THR 11 -5.511 -7.906 -1.127
83 HB THR 11 HB THR 11 -6.591 -6.097 1.112
84 HG1 THR 11 HG1 THR 11 -4.727 -7.261 1.611
85 1HG2 THR 11 1HG2 THR 11 -7.405 -8.940 0.235
86 2HG2 THR 11 2HG2 THR 11 -8.125 -8.016 1.546
87 3HG2 THR 11 3HG2 THR 11 -8.377 -7.521 -0.119
88 H MET 12 H MET 12 -6.073 -4.472 -0.781
89 HA MET 12 HA MET 12 -7.658 -4.458 -3.296
90 1HB MET 12 1HB MET 12 -9.374 -2.984 -2.221
91 2HB MET 12 2HB MET 12 -9.313 -4.555 -1.452
92 1HG MET 12 1HG MET 12 -7.901 -3.668 0.338
93 2HG MET 12 2HG MET 12 -7.846 -2.101 -0.415
94 1HE MET 12 1HE MET 12 -10.049 -0.696 -0.874
95 2HE MET 12 2HE MET 12 -10.870 -0.290 0.618
96 3HE MET 12 3HE MET 12 -9.117 -0.188 0.556
97 H TYR 13 H TYR 13 -5.043 -3.408 -1.825
98 HA TYR 13 HA TYR 13 -3.630 -1.558 -1.971
99 1HB TYR 13 1HB TYR 13 -5.232 -1.212 -4.570
100 2HB TYR 13 2HB TYR 13 -3.688 -0.433 -4.238
101 HD1 TYR 13 HD1 TYR 13 -1.709 -2.005 -3.583
102 HD2 TYR 13 HD2 TYR 13 -5.260 -3.415 -5.468
103 HE1 TYR 13 HE1 TYR 13 -0.535 -4.035 -4.277
104 HE2 TYR 13 HE2 TYR 13 -4.080 -5.444 -6.160
105 HH TYR 13 HH TYR 13 -2.145 -6.769 -5.483
106 H ASP 14 H ASP 14 -4.810 -0.972 -0.181
107 HA ASP 14 HA ASP 14 -6.926 1.020 -0.238
108 1HB ASP 14 1HB ASP 14 -6.857 -0.706 1.440
109 2HB ASP 14 2HB ASP 14 -5.246 -0.270 1.932
110 H CYS 15 H CYS 15 -4.054 1.487 -1.227
111 HA CYS 15 HA CYS 15 -3.468 3.984 0.307
112 1HB CYS 15 1HB CYS 15 -1.728 2.483 -1.612
113 2HB CYS 15 2HB CYS 15 -1.251 3.870 -0.662
114 H CYS 16 H CYS 16 -2.889 5.868 -0.679
115 HA CYS 16 HA CYS 16 -4.427 6.642 -2.974
116 1HB CYS 16 1HB CYS 16 -2.131 8.033 -1.551
117 2HB CYS 16 2HB CYS 16 -3.244 8.808 -2.634
118 H SER 17 H SER 17 -1.195 5.674 -2.277
119 HA SER 17 HA SER 17 0.061 6.317 -4.788
120 1HB SER 17 1HB SER 17 1.371 5.925 -2.679
121 2HB SER 17 2HB SER 17 0.842 4.236 -2.669
122 HG SER 17 HG SER 17 1.813 3.947 -4.658
123 H GLY 18 H GLY 18 -1.893 3.745 -3.593
124 1HA GLY 18 1HA GLY 18 -3.024 2.058 -4.753
125 2HA GLY 18 2HA GLY 18 -2.246 2.590 -6.236
126 H SER 19 H SER 19 0.331 2.266 -4.426
127 HA SER 19 HA SER 19 0.692 -0.647 -5.000
128 1HB SER 19 1HB SER 19 3.135 -0.015 -5.310
129 2HB SER 19 2HB SER 19 2.092 0.856 -6.440
130 HG SER 19 HG SER 19 3.323 1.744 -4.085
131 H CYS 20 H CYS 20 -0.439 -0.639 -2.828
132 HA CYS 20 HA CYS 20 0.858 0.219 -0.472
133 1HB CYS 20 1HB CYS 20 -1.419 -0.436 -0.346
134 2HB CYS 20 2HB CYS 20 -1.132 -2.033 -0.924
135 H GLY 21 H GLY 21 2.549 -0.370 0.504
136 1HA GLY 21 1HA GLY 21 4.487 -2.205 -0.288
137 2HA GLY 21 2HA GLY 21 4.369 -1.549 1.340
138 H ARG 22 H ARG 22 5.006 -4.137 0.202
139 HA ARG 22 HA ARG 22 3.079 -6.148 0.783
140 1HB ARG 22 1HB ARG 22 4.902 -7.743 0.542
141 2HB ARG 22 2HB ARG 22 5.063 -6.506 -0.676
142 1HG ARG 22 1HG ARG 22 6.704 -6.687 1.892
143 2HG ARG 22 2HG ARG 22 7.257 -7.093 0.289
144 1HD ARG 22 1HD ARG 22 6.956 -4.677 -0.402
145 2HD ARG 22 2HD ARG 22 6.511 -4.308 1.262
146 HE ARG 22 HE ARG 22 8.718 -4.554 1.939
147 1HH1 ARG 22 1HH1 ARG 22 8.299 -5.718 -1.302
148 2HH1 ARG 22 2HH1 ARG 22 10.000 -5.864 -1.586
149 1HH2 ARG 22 1HH2 ARG 22 10.867 -4.735 1.600
150 2HH2 ARG 22 2HH2 ARG 22 11.477 -5.300 0.080
151 H ARG 23 H ARG 23 5.345 -4.511 2.859
152 HA ARG 23 HA ARG 23 5.136 -6.504 4.982
153 1HB ARG 23 1HB ARG 23 6.547 -4.925 6.254
154 2HB ARG 23 2HB ARG 23 7.189 -5.236 4.666
155 1HG ARG 23 1HG ARG 23 7.509 -2.908 5.064
156 2HG ARG 23 2HG ARG 23 6.221 -3.028 3.889
157 1HD ARG 23 1HD ARG 23 5.740 -1.340 5.626
158 2HD ARG 23 2HD ARG 23 4.539 -2.608 5.685
159 HE ARG 23 HE ARG 23 6.934 -2.679 7.473
160 1HH1 ARG 23 1HH1 ARG 23 3.466 -2.635 7.095
161 2HH1 ARG 23 2HH1 ARG 23 3.196 -2.950 8.772
162 1HH2 ARG 23 1HH2 ARG 23 6.578 -3.072 9.570
163 2HH2 ARG 23 2HH2 ARG 23 4.964 -3.202 10.185
164 H GLY 24 H GLY 24 3.115 -4.005 3.932
165 1HA GLY 24 1HA GLY 24 0.873 -4.067 5.051
166 2HA GLY 24 2HA GLY 24 1.708 -3.952 6.581
167 H LYS 25 H LYS 25 3.278 -1.909 4.452
168 HA LYS 25 HA LYS 25 1.561 0.415 5.317
169 1HB LYS 25 1HB LYS 25 4.576 0.383 4.824
170 2HB LYS 25 2HB LYS 25 3.644 1.789 5.268
171 1HG LYS 25 1HG LYS 25 3.910 -0.672 7.016
172 2HG LYS 25 2HG LYS 25 4.823 0.806 7.232
173 1HD LYS 25 1HD LYS 25 2.708 2.062 7.593
174 2HD LYS 25 2HD LYS 25 1.780 0.608 7.341
175 1HE LYS 25 1HE LYS 25 2.864 -0.431 9.322
176 2HE LYS 25 2HE LYS 25 3.798 1.041 9.569
177 1HZ LYS 25 1HZ LYS 25 0.903 1.295 9.334
178 2HZ LYS 25 2HZ LYS 25 1.521 0.626 10.768
179 3HZ LYS 25 3HZ LYS 25 2.002 2.180 10.278
180 H CYS 26 H CYS 26 1.812 2.308 3.833
181 HA CYS 26 HA CYS 26 1.307 1.370 1.132
182 1HB CYS 26 1HB CYS 26 1.344 4.112 2.334
183 2HB CYS 26 2HB CYS 26 0.898 3.777 0.681
184 1HN NH2 27 1HT NH2 27 2.229 2.323 -0.834
185 2HN NH2 27 2HT NH2 27 3.881 2.692 -0.893
Start of MODEL 3
1 1H CYS 1 1H CYS 1 -8.223 8.097 1.121
2 2H CYS 1 2H CYS 1 -9.131 6.880 0.359
3 3H CYS 1 3H CYS 1 -8.782 6.767 2.019
4 HA CYS 1 HA CYS 1 -7.341 5.280 0.926
5 1HB CYS 1 1HB CYS 1 -5.845 6.009 -0.855
6 2HB CYS 1 2HB CYS 1 -7.496 6.283 -1.327
7 H LYS 2 H LYS 2 -5.267 4.987 1.636
8 HA LYS 2 HA LYS 2 -4.261 7.001 3.557
9 1HB LYS 2 1HB LYS 2 -4.115 4.023 3.339
10 2HB LYS 2 2HB LYS 2 -2.856 4.844 4.221
11 1HG LYS 2 1HG LYS 2 -4.740 4.203 5.694
12 2HG LYS 2 2HG LYS 2 -4.446 5.925 5.687
13 1HD LYS 2 1HD LYS 2 -6.808 5.564 5.643
14 2HD LYS 2 2HD LYS 2 -6.378 6.235 4.118
15 1HE LYS 2 1HE LYS 2 -6.339 3.880 3.142
16 2HE LYS 2 2HE LYS 2 -6.920 3.309 4.700
17 1HZ LYS 2 1HZ LYS 2 -8.310 5.270 2.978
18 2HZ LYS 2 2HZ LYS 2 -8.704 3.624 3.126
19 3HZ LYS 2 3HZ LYS 2 -8.870 4.660 4.462
20 H GLY 3 H GLY 3 -2.572 8.194 3.075
21 1HA GLY 3 1HA GLY 3 -1.026 8.067 0.708
22 2HA GLY 3 2HA GLY 3 -0.597 8.993 2.140
23 H LYS 4 H LYS 4 1.327 7.882 0.577
24 HA LYS 4 HA LYS 4 2.343 5.380 0.968
25 1HB LYS 4 1HB LYS 4 4.535 6.389 0.610
26 2HB LYS 4 2HB LYS 4 3.337 6.978 -0.520
27 1HG LYS 4 1HG LYS 4 3.023 9.014 0.981
28 2HG LYS 4 2HG LYS 4 4.363 8.448 1.952
29 1HD LYS 4 1HD LYS 4 4.531 9.169 -0.989
30 2HD LYS 4 2HD LYS 4 5.026 10.205 0.326
31 1HE LYS 4 1HE LYS 4 7.010 9.157 -0.624
32 2HE LYS 4 2HE LYS 4 6.755 8.473 0.970
33 1HZ LYS 4 1HZ LYS 4 5.444 7.040 -1.155
34 2HZ LYS 4 2HZ LYS 4 7.138 7.060 -1.263
35 3HZ LYS 4 3HZ LYS 4 6.385 6.464 0.136
36 H GLY 5 H GLY 5 3.334 4.223 2.426
37 1HA GLY 5 1HA GLY 5 4.486 3.578 4.352
38 2HA GLY 5 2HA GLY 5 4.619 5.254 4.831
39 H ALA 6 H ALA 6 1.420 4.685 4.175
40 HA ALA 6 HA ALA 6 0.767 4.495 7.047
41 1HB ALA 6 1HB ALA 6 -0.936 5.033 4.616
42 2HB ALA 6 2HB ALA 6 -1.520 5.154 6.268
43 3HB ALA 6 3HB ALA 6 -0.281 6.254 5.693
44 HA PRO 7 HA PRO 7 -0.262 0.289 7.057
45 1HB PRO 7 1HB PRO 7 -2.437 0.192 8.816
46 2HB PRO 7 2HB PRO 7 -0.744 0.293 9.268
47 1HG PRO 7 1HG PRO 7 -2.806 2.420 9.280
48 2HG PRO 7 2HG PRO 7 -1.343 2.284 10.246
49 1HD PRO 7 1HD PRO 7 -1.687 3.978 8.018
50 2HD PRO 7 2HD PRO 7 -0.127 3.544 8.743
51 H CYS 8 H CYS 8 -0.868 -0.067 4.979
52 HA CYS 8 HA CYS 8 -3.743 -0.045 4.244
53 1HB CYS 8 1HB CYS 8 -2.799 -0.358 1.934
54 2HB CYS 8 2HB CYS 8 -2.539 1.172 2.671
55 H ARG 9 H ARG 9 -4.410 -1.581 2.692
56 HA ARG 9 HA ARG 9 -3.517 -4.371 3.237
57 1HB ARG 9 1HB ARG 9 -5.984 -4.915 2.730
58 2HB ARG 9 2HB ARG 9 -5.676 -4.103 4.251
59 1HG ARG 9 1HG ARG 9 -6.322 -1.959 3.219
60 2HG ARG 9 2HG ARG 9 -6.644 -2.771 1.700
61 1HD ARG 9 1HD ARG 9 -8.372 -4.189 2.877
62 2HD ARG 9 2HD ARG 9 -8.009 -3.370 4.382
63 HE ARG 9 HE ARG 9 -9.577 -2.298 2.167
64 1HH1 ARG 9 1HH1 ARG 9 -7.600 -1.569 4.920
65 2HH1 ARG 9 2HH1 ARG 9 -8.297 -0.002 5.151
66 1HH2 ARG 9 1HH2 ARG 9 -10.474 -0.315 2.440
67 2HH2 ARG 9 2HH2 ARG 9 -9.947 0.721 3.726
68 H LYS 10 H LYS 10 -2.572 -5.138 1.690
69 HA LYS 10 HA LYS 10 -2.180 -4.230 -0.948
70 1HB LYS 10 1HB LYS 10 -2.071 -7.174 -0.142
71 2HB LYS 10 2HB LYS 10 -1.253 -6.434 -1.485
72 1HG LYS 10 1HG LYS 10 0.394 -6.946 0.176
73 2HG LYS 10 2HG LYS 10 0.224 -5.206 0.146
74 1HD LYS 10 1HD LYS 10 -0.982 -5.163 2.209
75 2HD LYS 10 2HD LYS 10 -1.301 -6.897 2.178
76 1HE LYS 10 1HE LYS 10 1.208 -7.211 2.466
77 2HE LYS 10 2HE LYS 10 1.363 -5.463 2.574
78 1HZ LYS 10 1HZ LYS 10 -0.404 -5.698 4.398
79 2HZ LYS 10 2HZ LYS 10 0.109 -7.318 4.451
80 3HZ LYS 10 3HZ LYS 10 1.218 -6.065 4.744
81 H THR 11 H THR 11 -4.385 -6.401 0.473
82 HA THR 11 HA THR 11 -5.698 -7.872 -1.322
83 HB THR 11 HB THR 11 -6.972 -6.082 0.817
84 HG1 THR 11 HG1 THR 11 -5.865 -8.690 0.699
85 1HG2 THR 11 1HG2 THR 11 -7.892 -8.802 -0.331
86 2HG2 THR 11 2HG2 THR 11 -8.709 -7.883 0.921
87 3HG2 THR 11 3HG2 THR 11 -8.691 -7.292 -0.731
88 H MET 12 H MET 12 -6.090 -4.395 -1.093
89 HA MET 12 HA MET 12 -7.209 -4.351 -3.833
90 1HB MET 12 1HB MET 12 -9.130 -2.888 -3.126
91 2HB MET 12 2HB MET 12 -9.208 -4.483 -2.410
92 1HG MET 12 1HG MET 12 -8.080 -2.077 -0.972
93 2HG MET 12 2HG MET 12 -9.710 -2.645 -0.772
94 1HE MET 12 1HE MET 12 -10.116 -5.327 -0.266
95 2HE MET 12 2HE MET 12 -9.628 -5.623 1.390
96 3HE MET 12 3HE MET 12 -10.488 -4.141 1.009
97 H TYR 13 H TYR 13 -4.920 -3.369 -1.959
98 HA TYR 13 HA TYR 13 -3.510 -1.527 -1.803
99 1HB TYR 13 1HB TYR 13 -4.736 -1.022 -4.577
100 2HB TYR 13 2HB TYR 13 -3.277 -0.239 -3.971
101 HD1 TYR 13 HD1 TYR 13 -1.356 -1.723 -3.221
102 HD2 TYR 13 HD2 TYR 13 -4.604 -3.235 -5.512
103 HE1 TYR 13 HE1 TYR 13 -0.003 -3.670 -3.840
104 HE2 TYR 13 HE2 TYR 13 -3.256 -5.183 -6.134
105 HH TYR 13 HH TYR 13 -0.563 -5.581 -6.310
106 H ASP 14 H ASP 14 -4.831 -0.972 -0.142
107 HA ASP 14 HA ASP 14 -6.970 0.987 -0.357
108 1HB ASP 14 1HB ASP 14 -7.037 -0.693 1.323
109 2HB ASP 14 2HB ASP 14 -5.453 -0.323 1.924
110 H CYS 15 H CYS 15 -4.061 1.515 -1.139
111 HA CYS 15 HA CYS 15 -3.579 3.989 0.452
112 1HB CYS 15 1HB CYS 15 -1.779 2.674 -1.559
113 2HB CYS 15 2HB CYS 15 -1.373 3.975 -0.462
114 H CYS 16 H CYS 16 -2.983 5.946 -0.546
115 HA CYS 16 HA CYS 16 -4.590 6.645 -2.840
116 1HB CYS 16 1HB CYS 16 -2.359 8.170 -1.454
117 2HB CYS 16 2HB CYS 16 -3.536 8.847 -2.539
118 H SER 17 H SER 17 -1.331 5.794 -2.127
119 HA SER 17 HA SER 17 -0.046 6.526 -4.583
120 1HB SER 17 1HB SER 17 1.229 6.049 -2.469
121 2HB SER 17 2HB SER 17 0.713 4.357 -2.543
122 HG SER 17 HG SER 17 1.721 4.180 -4.542
123 H GLY 18 H GLY 18 -2.130 3.977 -3.669
124 1HA GLY 18 1HA GLY 18 -3.176 2.350 -4.982
125 2HA GLY 18 2HA GLY 18 -2.244 2.915 -6.369
126 H SER 19 H SER 19 -0.044 2.447 -4.063
127 HA SER 19 HA SER 19 0.401 -0.450 -4.625
128 1HB SER 19 1HB SER 19 2.863 0.119 -4.873
129 2HB SER 19 2HB SER 19 1.889 0.950 -6.094
130 HG SER 19 HG SER 19 1.729 2.666 -4.419
131 H CYS 20 H CYS 20 0.401 -1.495 -2.803
132 HA CYS 20 HA CYS 20 1.315 -0.153 -0.294
133 1HB CYS 20 1HB CYS 20 -1.059 -0.612 -0.250
134 2HB CYS 20 2HB CYS 20 -0.856 -2.267 -0.694
135 H GLY 21 H GLY 21 3.156 -0.826 0.294
136 1HA GLY 21 1HA GLY 21 4.705 -2.943 -0.646
137 2HA GLY 21 2HA GLY 21 4.963 -2.133 0.891
138 H ARG 22 H ARG 22 5.563 -4.710 0.523
139 HA ARG 22 HA ARG 22 3.571 -6.612 1.352
140 1HB ARG 22 1HB ARG 22 6.613 -6.735 1.519
141 2HB ARG 22 2HB ARG 22 5.559 -8.116 1.736
142 1HG ARG 22 1HG ARG 22 5.779 -6.459 -0.817
143 2HG ARG 22 2HG ARG 22 6.517 -8.025 -0.559
144 1HD ARG 22 1HD ARG 22 4.214 -9.029 -0.242
145 2HD ARG 22 2HD ARG 22 3.513 -7.452 -0.575
146 HE ARG 22 HE ARG 22 3.946 -7.754 -2.842
147 1HH1 ARG 22 1HH1 ARG 22 5.784 -10.012 -0.958
148 2HH1 ARG 22 2HH1 ARG 22 6.324 -10.898 -2.345
149 1HH2 ARG 22 1HH2 ARG 22 4.620 -8.861 -4.606
150 2HH2 ARG 22 2HH2 ARG 22 5.659 -10.238 -4.439
151 H ARG 23 H ARG 23 5.504 -4.380 3.063
152 HA ARG 23 HA ARG 23 5.336 -5.730 5.650
153 1HB ARG 23 1HB ARG 23 6.329 -3.626 6.523
154 2HB ARG 23 2HB ARG 23 7.227 -4.240 5.151
155 1HG ARG 23 1HG ARG 23 6.132 -2.630 3.638
156 2HG ARG 23 2HG ARG 23 5.109 -2.049 4.932
157 1HD ARG 23 1HD ARG 23 8.159 -1.858 4.873
158 2HD ARG 23 2HD ARG 23 7.041 -0.528 4.570
159 HE ARG 23 HE ARG 23 6.440 -1.720 7.106
160 1HH1 ARG 23 1HH1 ARG 23 8.790 0.252 5.498
161 2HH1 ARG 23 2HH1 ARG 23 9.258 1.075 6.949
162 1HH2 ARG 23 1HH2 ARG 23 7.013 -0.692 8.953
163 2HH2 ARG 23 2HH2 ARG 23 8.240 0.532 8.933
164 H GLY 24 H GLY 24 3.037 -4.400 3.820
165 1HA GLY 24 1HA GLY 24 0.802 -3.938 4.344
166 2HA GLY 24 2HA GLY 24 1.205 -3.988 6.055
167 H LYS 25 H LYS 25 3.194 -1.992 4.102
168 HA LYS 25 HA LYS 25 1.715 0.439 5.089
169 1HB LYS 25 1HB LYS 25 4.661 0.262 4.356
170 2HB LYS 25 2HB LYS 25 3.840 1.628 5.047
171 1HG LYS 25 1HG LYS 25 4.153 -1.013 6.517
172 2HG LYS 25 2HG LYS 25 5.131 0.418 6.772
173 1HD LYS 25 1HD LYS 25 3.130 1.696 7.469
174 2HD LYS 25 2HD LYS 25 2.106 0.310 7.173
175 1HE LYS 25 1HE LYS 25 2.676 0.485 9.577
176 2HE LYS 25 2HE LYS 25 3.373 -0.979 8.901
177 1HZ LYS 25 1HZ LYS 25 4.876 1.559 9.094
178 2HZ LYS 25 2HZ LYS 25 4.865 0.398 10.335
179 3HZ LYS 25 3HZ LYS 25 5.483 -0.001 8.803
180 H CYS 26 H CYS 26 1.818 2.251 3.704
181 HA CYS 26 HA CYS 26 1.279 1.532 0.935
182 1HB CYS 26 1HB CYS 26 1.225 4.137 2.406
183 2HB CYS 26 2HB CYS 26 0.722 3.953 0.744
184 1HN NH2 27 1HT NH2 27 2.033 3.242 -0.818
185 2HN NH2 27 2HT NH2 27 3.707 3.461 -0.918
Start of MODEL 4
1 1H CYS 1 1H CYS 1 -8.157 7.826 1.122
2 2H CYS 1 2H CYS 1 -9.065 6.632 0.326
3 3H CYS 1 3H CYS 1 -8.662 6.440 1.965
4 HA CYS 1 HA CYS 1 -7.227 5.037 0.735
5 1HB CYS 1 1HB CYS 1 -5.824 5.901 -1.056
6 2HB CYS 1 2HB CYS 1 -7.490 6.226 -1.431
7 H LYS 2 H LYS 2 -5.350 4.664 1.705
8 HA LYS 2 HA LYS 2 -4.338 6.569 3.694
9 1HB LYS 2 1HB LYS 2 -3.674 3.703 3.007
10 2HB LYS 2 2HB LYS 2 -2.746 4.595 4.175
11 1HG LYS 2 1HG LYS 2 -4.472 3.106 5.177
12 2HG LYS 2 2HG LYS 2 -4.569 4.765 5.696
13 1HD LYS 2 1HD LYS 2 -6.362 3.717 3.479
14 2HD LYS 2 2HD LYS 2 -6.739 3.504 5.172
15 1HE LYS 2 1HE LYS 2 -6.886 5.846 5.573
16 2HE LYS 2 2HE LYS 2 -6.312 6.294 3.999
17 1HZ LYS 2 1HZ LYS 2 -8.258 5.065 3.088
18 2HZ LYS 2 2HZ LYS 2 -8.833 4.922 4.679
19 3HZ LYS 2 3HZ LYS 2 -8.633 6.459 3.984
20 H GLY 3 H GLY 3 -2.706 7.767 3.557
21 1HA GLY 3 1HA GLY 3 -1.262 8.334 1.163
22 2HA GLY 3 2HA GLY 3 -0.767 8.870 2.765
23 H LYS 4 H LYS 4 1.184 8.240 0.951
24 HA LYS 4 HA LYS 4 2.072 5.571 0.878
25 1HB LYS 4 1HB LYS 4 4.252 6.571 0.295
26 2HB LYS 4 2HB LYS 4 2.933 7.300 -0.586
27 1HG LYS 4 1HG LYS 4 2.939 9.230 1.017
28 2HG LYS 4 2HG LYS 4 4.298 8.502 1.866
29 1HD LYS 4 1HD LYS 4 5.644 8.574 -0.235
30 2HD LYS 4 2HD LYS 4 4.289 9.308 -1.075
31 1HE LYS 4 1HE LYS 4 4.394 11.261 0.482
32 2HE LYS 4 2HE LYS 4 5.771 10.527 1.289
33 1HZ LYS 4 1HZ LYS 4 6.103 10.638 -1.541
34 2HZ LYS 4 2HZ LYS 4 5.869 12.174 -0.859
35 3HZ LYS 4 3HZ LYS 4 7.129 11.180 -0.301
36 H GLY 5 H GLY 5 3.253 4.327 2.177
37 1HA GLY 5 1HA GLY 5 4.475 3.560 4.008
38 2HA GLY 5 2HA GLY 5 4.737 5.218 4.509
39 H ALA 6 H ALA 6 1.472 4.775 4.088
40 HA ALA 6 HA ALA 6 1.038 4.576 7.006
41 1HB ALA 6 1HB ALA 6 -0.045 6.410 5.762
42 2HB ALA 6 2HB ALA 6 -0.861 5.241 4.736
43 3HB ALA 6 3HB ALA 6 -1.273 5.350 6.433
44 HA PRO 7 HA PRO 7 -0.151 0.420 7.092
45 1HB PRO 7 1HB PRO 7 -2.464 0.538 8.758
46 2HB PRO 7 2HB PRO 7 -0.798 0.271 9.237
47 1HG PRO 7 1HG PRO 7 -2.427 2.697 9.494
48 2HG PRO 7 2HG PRO 7 -0.908 2.300 10.285
49 1HD PRO 7 1HD PRO 7 -1.261 4.157 8.172
50 2HD PRO 7 2HD PRO 7 0.288 3.542 8.769
51 H CYS 8 H CYS 8 -0.746 -0.159 5.087
52 HA CYS 8 HA CYS 8 -3.619 0.038 4.298
53 1HB CYS 8 1HB CYS 8 -2.698 -0.229 1.976
54 2HB CYS 8 2HB CYS 8 -2.367 1.239 2.776
55 H ARG 9 H ARG 9 -3.823 -1.530 2.292
56 HA ARG 9 HA ARG 9 -3.017 -4.292 2.890
57 1HB ARG 9 1HB ARG 9 -5.076 -3.831 4.188
58 2HB ARG 9 2HB ARG 9 -5.849 -3.256 2.721
59 1HG ARG 9 1HG ARG 9 -5.560 -5.488 1.722
60 2HG ARG 9 2HG ARG 9 -4.841 -6.081 3.200
61 1HD ARG 9 1HD ARG 9 -7.288 -6.639 3.084
62 2HD ARG 9 2HD ARG 9 -6.922 -5.623 4.469
63 HE ARG 9 HE ARG 9 -8.377 -4.820 2.013
64 1HH1 ARG 9 1HH1 ARG 9 -6.963 -3.894 5.059
65 2HH1 ARG 9 2HH1 ARG 9 -7.847 -2.409 5.128
66 1HH2 ARG 9 1HH2 ARG 9 -9.486 -2.938 2.113
67 2HH2 ARG 9 2HH2 ARG 9 -9.280 -1.856 3.449
68 H LYS 10 H LYS 10 -2.070 -4.649 1.093
69 HA LYS 10 HA LYS 10 -2.346 -3.588 -1.481
70 1HB LYS 10 1HB LYS 10 -1.624 -6.526 -1.164
71 2HB LYS 10 2HB LYS 10 -1.051 -5.389 -2.350
72 1HG LYS 10 1HG LYS 10 0.837 -5.507 -1.016
73 2HG LYS 10 2HG LYS 10 0.018 -4.138 -0.310
74 1HD LYS 10 1HD LYS 10 0.790 -5.567 1.500
75 2HD LYS 10 2HD LYS 10 -0.929 -5.668 1.524
76 1HE LYS 10 1HE LYS 10 0.021 -7.892 1.760
77 2HE LYS 10 2HE LYS 10 -0.881 -7.802 0.260
78 1HZ LYS 10 1HZ LYS 10 1.977 -7.161 0.221
79 2HZ LYS 10 2HZ LYS 10 1.505 -8.788 0.333
80 3HZ LYS 10 3HZ LYS 10 1.004 -7.844 -0.987
81 H THR 11 H THR 11 -4.034 -6.126 0.052
82 HA THR 11 HA THR 11 -5.322 -7.689 -1.734
83 HB THR 11 HB THR 11 -6.828 -6.137 0.441
84 HG1 THR 11 HG1 THR 11 -5.253 -8.516 0.344
85 1HG2 THR 11 1HG2 THR 11 -7.243 -8.970 -0.696
86 2HG2 THR 11 2HG2 THR 11 -8.211 -8.211 0.558
87 3HG2 THR 11 3HG2 THR 11 -8.288 -7.612 -1.088
88 H MET 12 H MET 12 -6.269 -4.376 -1.088
89 HA MET 12 HA MET 12 -7.567 -4.232 -3.771
90 1HB MET 12 1HB MET 12 -9.478 -2.985 -2.749
91 2HB MET 12 2HB MET 12 -9.338 -4.615 -2.126
92 1HG MET 12 1HG MET 12 -8.267 -3.851 -0.103
93 2HG MET 12 2HG MET 12 -8.225 -2.209 -0.662
94 1HE MET 12 1HE MET 12 -9.904 -5.018 0.936
95 2HE MET 12 2HE MET 12 -11.506 -4.489 1.391
96 3HE MET 12 3HE MET 12 -11.215 -5.044 -0.259
97 H TYR 13 H TYR 13 -5.117 -3.275 -2.205
98 HA TYR 13 HA TYR 13 -3.762 -1.401 -2.074
99 1HB TYR 13 1HB TYR 13 -5.354 -0.727 -4.612
100 2HB TYR 13 2HB TYR 13 -3.838 0.038 -4.147
101 HD1 TYR 13 HD1 TYR 13 -1.884 -1.645 -3.543
102 HD2 TYR 13 HD2 TYR 13 -5.228 -2.661 -5.979
103 HE1 TYR 13 HE1 TYR 13 -0.614 -3.496 -4.510
104 HE2 TYR 13 HE2 TYR 13 -3.951 -4.513 -6.946
105 HH TYR 13 HH TYR 13 -1.351 -4.981 -7.272
106 H ASP 14 H ASP 14 -4.860 -1.009 -0.221
107 HA ASP 14 HA ASP 14 -6.987 0.965 0.010
108 1HB ASP 14 1HB ASP 14 -6.807 -0.903 1.570
109 2HB ASP 14 2HB ASP 14 -5.197 -0.487 2.015
110 H CYS 15 H CYS 15 -4.272 1.536 -1.193
111 HA CYS 15 HA CYS 15 -3.561 3.942 0.431
112 1HB CYS 15 1HB CYS 15 -1.831 2.496 -1.559
113 2HB CYS 15 2HB CYS 15 -1.360 3.845 -0.560
114 H CYS 16 H CYS 16 -3.022 5.857 -0.571
115 HA CYS 16 HA CYS 16 -4.578 6.546 -2.882
116 1HB CYS 16 1HB CYS 16 -2.323 8.043 -1.497
117 2HB CYS 16 2HB CYS 16 -3.487 8.752 -2.580
118 H SER 17 H SER 17 -1.354 5.618 -2.140
119 HA SER 17 HA SER 17 -0.012 6.278 -4.591
120 1HB SER 17 1HB SER 17 1.210 5.798 -2.454
121 2HB SER 17 2HB SER 17 0.648 4.121 -2.510
122 HG SER 17 HG SER 17 2.437 5.472 -4.183
123 H GLY 18 H GLY 18 -2.018 3.677 -3.520
124 1HA GLY 18 1HA GLY 18 -3.093 1.990 -4.713
125 2HA GLY 18 2HA GLY 18 -2.398 2.648 -6.186
126 H SER 19 H SER 19 0.075 2.164 -4.104
127 HA SER 19 HA SER 19 0.598 -0.652 -4.948
128 1HB SER 19 1HB SER 19 2.993 0.082 -5.417
129 2HB SER 19 2HB SER 19 1.844 0.926 -6.464
130 HG SER 19 HG SER 19 3.224 1.841 -4.214
131 H CYS 20 H CYS 20 -0.332 -0.832 -2.765
132 HA CYS 20 HA CYS 20 1.113 0.069 -0.468
133 1HB CYS 20 1HB CYS 20 -1.205 -0.481 -0.280
134 2HB CYS 20 2HB CYS 20 -0.979 -2.099 -0.817
135 H GLY 21 H GLY 21 2.692 -0.697 0.605
136 1HA GLY 21 1HA GLY 21 4.463 -2.726 -0.359
137 2HA GLY 21 2HA GLY 21 4.591 -1.900 1.193
138 H ARG 22 H ARG 22 4.977 -4.674 0.507
139 HA ARG 22 HA ARG 22 2.805 -6.276 1.562
140 1HB ARG 22 1HB ARG 22 4.469 -7.102 -0.118
141 2HB ARG 22 2HB ARG 22 5.736 -6.985 1.087
142 1HG ARG 22 1HG ARG 22 4.614 -8.695 2.484
143 2HG ARG 22 2HG ARG 22 3.255 -8.750 1.379
144 1HD ARG 22 1HD ARG 22 4.758 -10.650 0.924
145 2HD ARG 22 2HD ARG 22 4.829 -9.535 -0.424
146 HE ARG 22 HE ARG 22 7.010 -8.841 0.236
147 1HH1 ARG 22 1HH1 ARG 22 5.650 -11.207 2.397
148 2HH1 ARG 22 2HH1 ARG 22 7.179 -11.567 3.120
149 1HH2 ARG 22 1HH2 ARG 22 8.935 -9.291 1.158
150 2HH2 ARG 22 2HH2 ARG 22 9.056 -10.473 2.419
151 H ARG 23 H ARG 23 5.199 -4.392 2.999
152 HA ARG 23 HA ARG 23 5.469 -5.950 5.464
153 1HB ARG 23 1HB ARG 23 6.724 -3.965 6.278
154 2HB ARG 23 2HB ARG 23 7.294 -4.464 4.699
155 1HG ARG 23 1HG ARG 23 5.933 -2.676 3.621
156 2HG ARG 23 2HG ARG 23 5.319 -2.188 5.189
157 1HD ARG 23 1HD ARG 23 7.623 -1.659 5.933
158 2HD ARG 23 2HD ARG 23 8.254 -2.132 4.355
159 HE ARG 23 HE ARG 23 6.442 -0.303 3.592
160 1HH1 ARG 23 1HH1 ARG 23 8.736 -0.206 6.200
161 2HH1 ARG 23 2HH1 ARG 23 8.878 1.517 6.145
162 1HH2 ARG 23 1HH2 ARG 23 6.617 1.867 3.515
163 2HH2 ARG 23 2HH2 ARG 23 7.669 2.707 4.606
164 H GLY 24 H GLY 24 3.003 -4.255 4.136
165 1HA GLY 24 1HA GLY 24 0.881 -3.958 5.161
166 2HA GLY 24 2HA GLY 24 1.644 -3.885 6.739
167 H LYS 25 H LYS 25 3.291 -1.993 4.483
168 HA LYS 25 HA LYS 25 1.844 0.491 5.389
169 1HB LYS 25 1HB LYS 25 4.764 0.230 4.596
170 2HB LYS 25 2HB LYS 25 3.994 1.669 5.204
171 1HG LYS 25 1HG LYS 25 4.311 -0.887 6.828
172 2HG LYS 25 2HG LYS 25 5.324 0.534 6.984
173 1HD LYS 25 1HD LYS 25 3.385 1.896 7.649
174 2HD LYS 25 2HD LYS 25 2.301 0.542 7.430
175 1HE LYS 25 1HE LYS 25 3.545 -0.705 9.206
176 2HE LYS 25 2HE LYS 25 4.597 0.692 9.423
177 1HZ LYS 25 1HZ LYS 25 1.654 0.796 9.709
178 2HZ LYS 25 2HZ LYS 25 2.726 0.548 11.005
179 3HZ LYS 25 3HZ LYS 25 2.780 2.000 10.122
180 H CYS 26 H CYS 26 1.976 2.245 3.825
181 HA CYS 26 HA CYS 26 1.375 1.243 1.147
182 1HB CYS 26 1HB CYS 26 1.350 4.010 2.300
183 2HB CYS 26 2HB CYS 26 0.889 3.642 0.660
184 1HN NH2 27 1HT NH2 27 2.167 2.536 -0.831
185 2HN NH2 27 2HT NH2 27 3.837 2.825 -0.915
Start of MODEL 5
1 1H CYS 1 1H CYS 1 -8.157 8.052 1.225
2 2H CYS 1 2H CYS 1 -9.054 6.811 0.493
3 3H CYS 1 3H CYS 1 -8.705 6.741 2.154
4 HA CYS 1 HA CYS 1 -7.269 5.231 1.015
5 1HB CYS 1 1HB CYS 1 -5.705 6.044 -0.671
6 2HB CYS 1 2HB CYS 1 -7.340 6.315 -1.195
7 H LYS 2 H LYS 2 -5.206 4.900 1.649
8 HA LYS 2 HA LYS 2 -4.234 6.631 3.834
9 1HB LYS 2 1HB LYS 2 -3.635 3.774 2.981
10 2HB LYS 2 2HB LYS 2 -2.773 4.557 4.276
11 1HG LYS 2 1HG LYS 2 -4.589 3.144 5.134
12 2HG LYS 2 2HG LYS 2 -4.796 4.821 5.588
13 1HD LYS 2 1HD LYS 2 -6.548 5.118 3.908
14 2HD LYS 2 2HD LYS 2 -6.280 3.519 3.252
15 1HE LYS 2 1HE LYS 2 -8.253 3.561 4.754
16 2HE LYS 2 2HE LYS 2 -6.999 2.601 5.521
17 1HZ LYS 2 1HZ LYS 2 -7.291 5.484 6.060
18 2HZ LYS 2 2HZ LYS 2 -8.162 4.310 6.925
19 3HZ LYS 2 3HZ LYS 2 -6.464 4.313 6.970
20 H GLY 3 H GLY 3 -2.534 7.878 3.636
21 1HA GLY 3 1HA GLY 3 -1.151 8.334 1.180
22 2HA GLY 3 2HA GLY 3 -0.669 8.976 2.741
23 H LYS 4 H LYS 4 1.430 8.498 1.388
24 HA LYS 4 HA LYS 4 2.421 5.856 1.101
25 1HB LYS 4 1HB LYS 4 3.425 7.845 0.019
26 2HB LYS 4 2HB LYS 4 3.960 8.425 1.586
27 1HG LYS 4 1HG LYS 4 5.399 6.412 1.864
28 2HG LYS 4 2HG LYS 4 4.799 5.752 0.359
29 1HD LYS 4 1HD LYS 4 7.008 6.747 0.009
30 2HD LYS 4 2HD LYS 4 5.810 7.672 -0.872
31 1HE LYS 4 1HE LYS 4 5.791 9.390 0.931
32 2HE LYS 4 2HE LYS 4 6.959 8.444 1.848
33 1HZ LYS 4 1HZ LYS 4 8.502 8.668 0.001
34 2HZ LYS 4 2HZ LYS 4 7.371 9.609 -0.845
35 3HZ LYS 4 3HZ LYS 4 8.033 10.181 0.611
36 H GLY 5 H GLY 5 3.462 4.492 2.367
37 1HA GLY 5 1HA GLY 5 4.386 3.460 4.227
38 2HA GLY 5 2HA GLY 5 4.719 5.045 4.894
39 H ALA 6 H ALA 6 1.488 4.902 4.193
40 HA ALA 6 HA ALA 6 0.788 4.617 7.034
41 1HB ALA 6 1HB ALA 6 -0.910 5.241 4.598
42 2HB ALA 6 2HB ALA 6 -1.471 5.356 6.254
43 3HB ALA 6 3HB ALA 6 -0.207 6.428 5.679
44 HA PRO 7 HA PRO 7 -0.243 0.434 6.939
45 1HB PRO 7 1HB PRO 7 -2.371 0.272 8.739
46 2HB PRO 7 2HB PRO 7 -0.672 0.412 9.161
47 1HG PRO 7 1HG PRO 7 -2.789 2.493 9.226
48 2HG PRO 7 2HG PRO 7 -1.318 2.370 10.182
49 1HD PRO 7 1HD PRO 7 -1.695 4.093 7.976
50 2HD PRO 7 2HD PRO 7 -0.132 3.669 8.695
51 H CYS 8 H CYS 8 -0.870 0.249 4.831
52 HA CYS 8 HA CYS 8 -3.723 0.335 4.073
53 1HB CYS 8 1HB CYS 8 -2.788 -0.071 1.795
54 2HB CYS 8 2HB CYS 8 -2.238 1.367 2.540
55 H ARG 9 H ARG 9 -3.860 -1.423 2.140
56 HA ARG 9 HA ARG 9 -3.270 -4.148 3.121
57 1HB ARG 9 1HB ARG 9 -6.041 -3.151 2.260
58 2HB ARG 9 2HB ARG 9 -5.651 -4.804 2.703
59 1HG ARG 9 1HG ARG 9 -5.105 -4.056 5.018
60 2HG ARG 9 2HG ARG 9 -5.491 -2.401 4.579
61 1HD ARG 9 1HD ARG 9 -7.447 -4.739 4.480
62 2HD ARG 9 2HD ARG 9 -7.435 -3.485 5.710
63 HE ARG 9 HE ARG 9 -8.481 -3.243 3.004
64 1HH1 ARG 9 1HH1 ARG 9 -7.105 -1.524 5.686
65 2HH1 ARG 9 2HH1 ARG 9 -7.822 -0.017 5.225
66 1HH2 ARG 9 1HH2 ARG 9 -9.398 -1.348 2.416
67 2HH2 ARG 9 2HH2 ARG 9 -9.136 0.086 3.353
68 H LYS 10 H LYS 10 -2.283 -4.980 1.630
69 HA LYS 10 HA LYS 10 -1.857 -4.205 -1.066
70 1HB LYS 10 1HB LYS 10 -1.842 -7.054 -0.014
71 2HB LYS 10 2HB LYS 10 -0.912 -6.393 -1.352
72 1HG LYS 10 1HG LYS 10 0.523 -5.206 0.039
73 2HG LYS 10 2HG LYS 10 -0.547 -5.210 1.422
74 1HD LYS 10 1HD LYS 10 1.059 -6.779 1.936
75 2HD LYS 10 2HD LYS 10 -0.341 -7.687 1.472
76 1HE LYS 10 1HE LYS 10 1.932 -7.191 -0.452
77 2HE LYS 10 2HE LYS 10 1.750 -8.661 0.502
78 1HZ LYS 10 1HZ LYS 10 -0.636 -8.515 -0.642
79 2HZ LYS 10 2HZ LYS 10 0.308 -7.769 -1.842
80 3HZ LYS 10 3HZ LYS 10 0.680 -9.340 -1.321
81 H THR 11 H THR 11 -3.814 -6.428 0.492
82 HA THR 11 HA THR 11 -5.278 -7.980 -1.088
83 HB THR 11 HB THR 11 -6.438 -6.170 1.098
84 HG1 THR 11 HG1 THR 11 -5.150 -7.363 2.232
85 1HG2 THR 11 1HG2 THR 11 -7.260 -9.006 0.186
86 2HG2 THR 11 2HG2 THR 11 -8.011 -8.083 1.480
87 3HG2 THR 11 3HG2 THR 11 -8.208 -7.576 -0.187
88 H MET 12 H MET 12 -5.671 -4.577 -0.937
89 HA MET 12 HA MET 12 -7.205 -4.551 -3.467
90 1HB MET 12 1HB MET 12 -9.023 -3.126 -2.480
91 2HB MET 12 2HB MET 12 -8.974 -4.719 -1.749
92 1HG MET 12 1HG MET 12 -7.684 -3.841 0.156
93 2HG MET 12 2HG MET 12 -7.630 -2.259 -0.562
94 1HE MET 12 1HE MET 12 -9.844 -0.856 -1.070
95 2HE MET 12 2HE MET 12 -10.668 -0.505 0.438
96 3HE MET 12 3HE MET 12 -8.915 -0.433 0.388
97 H TYR 13 H TYR 13 -4.717 -3.406 -1.868
98 HA TYR 13 HA TYR 13 -3.375 -1.502 -1.941
99 1HB TYR 13 1HB TYR 13 -4.897 -1.170 -4.586
100 2HB TYR 13 2HB TYR 13 -3.394 -0.352 -4.187
101 HD1 TYR 13 HD1 TYR 13 -1.411 -1.917 -3.425
102 HD2 TYR 13 HD2 TYR 13 -4.792 -3.298 -5.619
103 HE1 TYR 13 HE1 TYR 13 -0.146 -3.882 -4.139
104 HE2 TYR 13 HE2 TYR 13 -3.524 -5.263 -6.331
105 HH TYR 13 HH TYR 13 -0.292 -5.511 -6.212
106 H ASP 14 H ASP 14 -4.600 -0.929 -0.183
107 HA ASP 14 HA ASP 14 -6.788 0.973 -0.276
108 1HB ASP 14 1HB ASP 14 -6.690 -0.758 1.395
109 2HB ASP 14 2HB ASP 14 -5.117 -0.300 1.928
110 H CYS 15 H CYS 15 -3.924 1.532 -1.229
111 HA CYS 15 HA CYS 15 -3.354 4.012 0.327
112 1HB CYS 15 1HB CYS 15 -1.696 2.670 -1.776
113 2HB CYS 15 2HB CYS 15 -1.220 4.007 -0.747
114 H CYS 16 H CYS 16 -2.957 5.964 -0.649
115 HA CYS 16 HA CYS 16 -4.720 6.717 -2.774
116 1HB CYS 16 1HB CYS 16 -2.312 8.149 -1.605
117 2HB CYS 16 2HB CYS 16 -3.574 8.907 -2.527
118 H SER 17 H SER 17 -1.473 5.729 -2.466
119 HA SER 17 HA SER 17 -0.583 6.367 -5.177
120 1HB SER 17 1HB SER 17 0.978 6.359 -3.176
121 2HB SER 17 2HB SER 17 0.709 4.622 -3.023
122 HG SER 17 HG SER 17 1.431 4.359 -5.149
123 H GLY 18 H GLY 18 -1.970 3.757 -3.401
124 1HA GLY 18 1HA GLY 18 -2.945 1.766 -4.092
125 2HA GLY 18 2HA GLY 18 -2.649 2.241 -5.764
126 H SER 19 H SER 19 0.130 2.403 -3.925
127 HA SER 19 HA SER 19 1.132 -0.216 -4.958
128 1HB SER 19 1HB SER 19 3.395 0.931 -4.879
129 2HB SER 19 2HB SER 19 2.256 1.841 -5.881
130 HG SER 19 HG SER 19 3.013 2.304 -3.203
131 H CYS 20 H CYS 20 -0.309 -0.502 -2.777
132 HA CYS 20 HA CYS 20 1.035 -0.116 -0.286
133 1HB CYS 20 1HB CYS 20 -1.360 -0.472 -0.425
134 2HB CYS 20 2HB CYS 20 -1.156 -2.076 -1.036
135 H GLY 21 H GLY 21 2.806 -0.936 0.289
136 1HA GLY 21 1HA GLY 21 4.244 -3.093 -0.792
137 2HA GLY 21 2HA GLY 21 4.576 -2.329 0.747
138 H ARG 22 H ARG 22 5.177 -4.788 0.448
139 HA ARG 22 HA ARG 22 3.297 -6.831 1.164
140 1HB ARG 22 1HB ARG 22 5.572 -7.047 0.017
141 2HB ARG 22 2HB ARG 22 6.319 -6.739 1.560
142 1HG ARG 22 1HG ARG 22 4.566 -9.129 0.918
143 2HG ARG 22 2HG ARG 22 6.309 -9.143 0.928
144 1HD ARG 22 1HD ARG 22 6.283 -8.638 3.393
145 2HD ARG 22 2HD ARG 22 4.529 -8.771 3.374
146 HE ARG 22 HE ARG 22 6.377 -10.977 3.220
147 1HH1 ARG 22 1HH1 ARG 22 3.218 -9.832 2.359
148 2HH1 ARG 22 2HH1 ARG 22 2.546 -11.425 2.265
149 1HH2 ARG 22 1HH2 ARG 22 5.546 -12.997 3.105
150 2HH2 ARG 22 2HH2 ARG 22 3.881 -13.243 2.693
151 H ARG 23 H ARG 23 5.254 -4.583 2.938
152 HA ARG 23 HA ARG 23 4.817 -5.800 5.551
153 1HB ARG 23 1HB ARG 23 5.912 -3.705 6.391
154 2HB ARG 23 2HB ARG 23 6.848 -4.514 5.156
155 1HG ARG 23 1HG ARG 23 6.049 -2.941 3.431
156 2HG ARG 23 2HG ARG 23 4.974 -2.168 4.577
157 1HD ARG 23 1HD ARG 23 8.020 -2.250 4.821
158 2HD ARG 23 2HD ARG 23 7.080 -0.868 4.257
159 HE ARG 23 HE ARG 23 6.106 -1.754 6.809
160 1HH1 ARG 23 1HH1 ARG 23 8.733 -0.068 5.305
161 2HH1 ARG 23 2HH1 ARG 23 9.068 0.887 6.708
162 1HH2 ARG 23 1HH2 ARG 23 6.507 -0.565 8.588
163 2HH2 ARG 23 2HH2 ARG 23 7.788 0.599 8.606
164 H GLY 24 H GLY 24 2.588 -4.613 3.684
165 1HA GLY 24 1HA GLY 24 0.432 -3.848 4.078
166 2HA GLY 24 2HA GLY 24 0.763 -3.942 5.802
167 H LYS 25 H LYS 25 3.012 -2.050 4.095
168 HA LYS 25 HA LYS 25 1.646 0.468 5.022
169 1HB LYS 25 1HB LYS 25 4.595 0.100 4.371
170 2HB LYS 25 2HB LYS 25 3.856 1.500 5.098
171 1HG LYS 25 1HG LYS 25 4.032 -1.223 6.424
172 2HG LYS 25 2HG LYS 25 5.006 0.185 6.800
173 1HD LYS 25 1HD LYS 25 3.078 1.446 7.555
174 2HD LYS 25 2HD LYS 25 1.989 0.149 7.116
175 1HE LYS 25 1HE LYS 25 4.233 -0.035 9.179
176 2HE LYS 25 2HE LYS 25 2.518 0.071 9.548
177 1HZ LYS 25 1HZ LYS 25 2.453 -2.002 7.958
178 2HZ LYS 25 2HZ LYS 25 4.057 -2.165 8.487
179 3HZ LYS 25 3HZ LYS 25 2.788 -2.153 9.618
180 H CYS 26 H CYS 26 1.949 2.302 3.603
181 HA CYS 26 HA CYS 26 1.512 1.526 0.822
182 1HB CYS 26 1HB CYS 26 1.515 4.166 2.203
183 2HB CYS 26 2HB CYS 26 1.091 3.966 0.519
184 1HN NH2 27 1HT NH2 27 2.531 2.457 -1.044
185 2HN NH2 27 2HT NH2 27 4.170 2.877 -1.025
Start of MODEL 6
1 1H CYS 1 1H CYS 1 -8.782 6.568 1.958
2 2H CYS 1 2H CYS 1 -8.220 7.899 1.065
3 3H CYS 1 3H CYS 1 -9.116 6.678 0.295
4 HA CYS 1 HA CYS 1 -7.362 5.084 0.717
5 1HB CYS 1 1HB CYS 1 -5.724 6.018 -0.833
6 2HB CYS 1 2HB CYS 1 -7.336 6.365 -1.380
7 H LYS 2 H LYS 2 -4.985 4.955 1.082
8 HA LYS 2 HA LYS 2 -4.245 6.461 3.562
9 1HB LYS 2 1HB LYS 2 -3.412 3.682 2.651
10 2HB LYS 2 2HB LYS 2 -2.893 4.435 4.135
11 1HG LYS 2 1HG LYS 2 -5.759 3.687 3.405
12 2HG LYS 2 2HG LYS 2 -4.735 2.868 4.562
13 1HD LYS 2 1HD LYS 2 -5.797 5.714 4.846
14 2HD LYS 2 2HD LYS 2 -6.362 4.305 5.711
15 1HE LYS 2 1HE LYS 2 -4.120 4.035 6.773
16 2HE LYS 2 2HE LYS 2 -3.565 5.470 5.917
17 1HZ LYS 2 1HZ LYS 2 -5.825 5.414 7.817
18 2HZ LYS 2 2HZ LYS 2 -4.254 5.959 8.165
19 3HZ LYS 2 3HZ LYS 2 -5.203 6.780 7.022
20 H GLY 3 H GLY 3 -2.698 7.833 3.375
21 1HA GLY 3 1HA GLY 3 -1.096 8.308 1.080
22 2HA GLY 3 2HA GLY 3 -0.764 8.955 2.681
23 H LYS 4 H LYS 4 1.352 8.338 1.099
24 HA LYS 4 HA LYS 4 2.436 5.793 1.074
25 1HB LYS 4 1HB LYS 4 3.870 8.440 1.464
26 2HB LYS 4 2HB LYS 4 4.610 6.914 1.018
27 1HG LYS 4 1HG LYS 4 3.246 6.795 -1.035
28 2HG LYS 4 2HG LYS 4 2.396 8.256 -0.589
29 1HD LYS 4 1HD LYS 4 4.049 8.786 -2.294
30 2HD LYS 4 2HD LYS 4 4.497 9.563 -0.796
31 1HE LYS 4 1HE LYS 4 5.734 6.968 -1.813
32 2HE LYS 4 2HE LYS 4 6.455 8.556 -1.995
33 1HZ LYS 4 1HZ LYS 4 5.959 8.438 0.646
34 2HZ LYS 4 2HZ LYS 4 6.382 6.831 0.286
35 3HZ LYS 4 3HZ LYS 4 7.448 8.096 -0.096
36 H GLY 5 H GLY 5 3.411 4.476 2.381
37 1HA GLY 5 1HA GLY 5 4.386 3.515 4.254
38 2HA GLY 5 2HA GLY 5 4.687 5.122 4.881
39 H ALA 6 H ALA 6 1.430 4.806 4.202
40 HA ALA 6 HA ALA 6 0.781 4.607 7.066
41 1HB ALA 6 1HB ALA 6 -0.311 6.319 5.664
42 2HB ALA 6 2HB ALA 6 -0.988 5.059 4.644
43 3HB ALA 6 3HB ALA 6 -1.508 5.212 6.311
44 HA PRO 7 HA PRO 7 -0.159 0.372 7.116
45 1HB PRO 7 1HB PRO 7 -2.268 0.234 8.944
46 2HB PRO 7 2HB PRO 7 -0.567 0.404 9.346
47 1HG PRO 7 1HG PRO 7 -2.704 2.460 9.388
48 2HG PRO 7 2HG PRO 7 -1.214 2.385 10.317
49 1HD PRO 7 1HD PRO 7 -1.667 4.033 8.068
50 2HD PRO 7 2HD PRO 7 -0.083 3.670 8.775
51 H CYS 8 H CYS 8 -0.804 0.242 4.982
52 HA CYS 8 HA CYS 8 -3.694 0.115 4.352
53 1HB CYS 8 1HB CYS 8 -2.827 -0.092 2.010
54 2HB CYS 8 2HB CYS 8 -2.543 1.428 2.763
55 H ARG 9 H ARG 9 -4.498 -1.409 3.034
56 HA ARG 9 HA ARG 9 -3.431 -4.162 3.334
57 1HB ARG 9 1HB ARG 9 -5.866 -4.769 3.158
58 2HB ARG 9 2HB ARG 9 -5.473 -3.714 4.503
59 1HG ARG 9 1HG ARG 9 -6.274 -1.761 3.192
60 2HG ARG 9 2HG ARG 9 -6.730 -2.792 1.859
61 1HD ARG 9 1HD ARG 9 -8.718 -2.306 3.151
62 2HD ARG 9 2HD ARG 9 -8.306 -3.966 3.568
63 HE ARG 9 HE ARG 9 -7.981 -1.578 5.274
64 1HH1 ARG 9 1HH1 ARG 9 -7.306 -4.943 4.807
65 2HH1 ARG 9 2HH1 ARG 9 -6.906 -5.203 6.471
66 1HH2 ARG 9 1HH2 ARG 9 -7.484 -1.861 7.338
67 2HH2 ARG 9 2HH2 ARG 9 -7.007 -3.415 7.942
68 H LYS 10 H LYS 10 -2.225 -4.376 1.611
69 HA LYS 10 HA LYS 10 -2.617 -3.306 -1.002
70 1HB LYS 10 1HB LYS 10 -0.845 -4.835 -1.711
71 2HB LYS 10 2HB LYS 10 -0.448 -4.208 -0.131
72 1HG LYS 10 1HG LYS 10 -1.586 -6.973 -0.649
73 2HG LYS 10 2HG LYS 10 0.089 -6.603 -0.325
74 1HD LYS 10 1HD LYS 10 -0.610 -5.690 1.946
75 2HD LYS 10 2HD LYS 10 -2.244 -6.250 1.605
76 1HE LYS 10 1HE LYS 10 -1.069 -7.930 2.937
77 2HE LYS 10 2HE LYS 10 -1.459 -8.566 1.346
78 1HZ LYS 10 1HZ LYS 10 1.139 -7.273 1.794
79 2HZ LYS 10 2HZ LYS 10 0.892 -8.870 2.320
80 3HZ LYS 10 3HZ LYS 10 0.710 -8.478 0.677
81 H THR 11 H THR 11 -4.179 -5.727 0.620
82 HA THR 11 HA THR 11 -4.926 -7.717 -1.141
83 HB THR 11 HB THR 11 -6.576 -6.241 0.984
84 HG1 THR 11 HG1 THR 11 -4.886 -8.513 0.925
85 1HG2 THR 11 1HG2 THR 11 -6.844 -9.131 -0.074
86 2HG2 THR 11 2HG2 THR 11 -7.834 -8.400 1.179
87 3HG2 THR 11 3HG2 THR 11 -7.988 -7.864 -0.486
88 H MET 12 H MET 12 -6.017 -4.440 -0.955
89 HA MET 12 HA MET 12 -7.281 -4.617 -3.630
90 1HB MET 12 1HB MET 12 -9.285 -3.338 -2.802
91 2HB MET 12 2HB MET 12 -9.128 -4.913 -2.059
92 1HG MET 12 1HG MET 12 -8.191 -2.373 -0.739
93 2HG MET 12 2HG MET 12 -9.742 -3.104 -0.452
94 1HE MET 12 1HE MET 12 -9.825 -5.807 0.147
95 2HE MET 12 2HE MET 12 -9.174 -6.043 1.755
96 3HE MET 12 3HE MET 12 -10.224 -4.668 1.455
97 H TYR 13 H TYR 13 -4.913 -3.431 -2.125
98 HA TYR 13 HA TYR 13 -3.627 -1.500 -2.114
99 1HB TYR 13 1HB TYR 13 -5.186 -1.094 -4.727
100 2HB TYR 13 2HB TYR 13 -3.697 -0.255 -4.308
101 HD1 TYR 13 HD1 TYR 13 -1.588 -1.588 -3.941
102 HD2 TYR 13 HD2 TYR 13 -5.132 -3.399 -5.461
103 HE1 TYR 13 HE1 TYR 13 -0.280 -3.511 -4.703
104 HE2 TYR 13 HE2 TYR 13 -3.820 -5.321 -6.221
105 HH TYR 13 HH TYR 13 -0.565 -5.312 -6.561
106 H ASP 14 H ASP 14 -4.839 -1.000 -0.303
107 HA ASP 14 HA ASP 14 -6.973 0.974 -0.321
108 1HB ASP 14 1HB ASP 14 -6.891 -0.738 1.307
109 2HB ASP 14 2HB ASP 14 -5.277 -0.369 1.802
110 H CYS 15 H CYS 15 -4.018 1.467 -1.224
111 HA CYS 15 HA CYS 15 -3.474 3.939 0.344
112 1HB CYS 15 1HB CYS 15 -1.788 2.546 -1.703
113 2HB CYS 15 2HB CYS 15 -1.303 3.936 -0.765
114 H CYS 16 H CYS 16 -2.935 5.877 -0.602
115 HA CYS 16 HA CYS 16 -4.608 6.708 -2.794
116 1HB CYS 16 1HB CYS 16 -2.260 8.119 -1.466
117 2HB CYS 16 2HB CYS 16 -3.512 8.876 -2.409
118 H SER 17 H SER 17 -1.361 5.739 -2.252
119 HA SER 17 HA SER 17 -0.253 6.437 -4.845
120 1HB SER 17 1HB SER 17 1.150 6.233 -2.748
121 2HB SER 17 2HB SER 17 0.787 4.503 -2.701
122 HG SER 17 HG SER 17 1.642 4.349 -4.817
123 H GLY 18 H GLY 18 -2.035 3.856 -3.460
124 1HA GLY 18 1HA GLY 18 -2.984 1.939 -4.345
125 2HA GLY 18 2HA GLY 18 -2.578 2.555 -5.945
126 H SER 19 H SER 19 -0.053 2.178 -3.676
127 HA SER 19 HA SER 19 0.775 -0.471 -4.761
128 1HB SER 19 1HB SER 19 3.114 0.482 -5.092
129 2HB SER 19 2HB SER 19 1.934 1.312 -6.116
130 HG SER 19 HG SER 19 1.696 2.826 -4.358
131 H CYS 20 H CYS 20 -0.191 -0.901 -2.637
132 HA CYS 20 HA CYS 20 1.337 -0.119 -0.265
133 1HB CYS 20 1HB CYS 20 -1.094 -0.374 -0.191
134 2HB CYS 20 2HB CYS 20 -0.993 -2.035 -0.619
135 H GLY 21 H GLY 21 3.139 -1.025 0.219
136 1HA GLY 21 1HA GLY 21 4.344 -3.289 -0.916
137 2HA GLY 21 2HA GLY 21 4.854 -2.517 0.565
138 H ARG 22 H ARG 22 5.403 -4.917 0.465
139 HA ARG 22 HA ARG 22 3.526 -6.925 1.280
140 1HB ARG 22 1HB ARG 22 6.546 -6.760 1.565
141 2HB ARG 22 2HB ARG 22 5.636 -8.168 2.033
142 1HG ARG 22 1HG ARG 22 6.696 -8.490 -0.144
143 2HG ARG 22 2HG ARG 22 4.961 -8.576 -0.277
144 1HD ARG 22 1HD ARG 22 6.538 -6.079 -0.998
145 2HD ARG 22 2HD ARG 22 6.122 -7.338 -2.157
146 HE ARG 22 HE ARG 22 3.780 -6.443 -0.735
147 1HH1 ARG 22 1HH1 ARG 22 4.870 -4.622 -4.093
148 2HH1 ARG 22 2HH1 ARG 22 6.021 -5.594 -3.239
149 1HH2 ARG 22 1HH2 ARG 22 2.313 -5.218 -1.796
150 2HH2 ARG 22 2HH2 ARG 22 2.739 -4.403 -3.264
151 H ARG 23 H ARG 23 5.388 -4.577 2.997
152 HA ARG 23 HA ARG 23 5.011 -5.767 5.637
153 1HB ARG 23 1HB ARG 23 6.047 -3.652 6.445
154 2HB ARG 23 2HB ARG 23 6.992 -4.393 5.170
155 1HG ARG 23 1HG ARG 23 6.037 -2.846 3.491
156 2HG ARG 23 2HG ARG 23 4.999 -2.127 4.703
157 1HD ARG 23 1HD ARG 23 8.052 -2.098 4.769
158 2HD ARG 23 2HD ARG 23 7.027 -0.742 4.303
159 HE ARG 23 HE ARG 23 6.252 -1.689 6.896
160 1HH1 ARG 23 1HH1 ARG 23 8.766 0.033 5.249
161 2HH1 ARG 23 2HH1 ARG 23 9.204 0.955 6.647
162 1HH2 ARG 23 1HH2 ARG 23 6.789 -0.538 8.677
163 2HH2 ARG 23 2HH2 ARG 23 8.070 0.627 8.618
164 H GLY 24 H GLY 24 2.800 -4.594 3.679
165 1HA GLY 24 1HA GLY 24 0.609 -3.901 4.029
166 2HA GLY 24 2HA GLY 24 0.896 -4.002 5.761
167 H LYS 25 H LYS 25 3.051 -2.043 3.905
168 HA LYS 25 HA LYS 25 1.661 0.426 4.927
169 1HB LYS 25 1HB LYS 25 4.622 0.150 4.281
170 2HB LYS 25 2HB LYS 25 3.831 1.528 4.985
171 1HG LYS 25 1HG LYS 25 4.024 -1.162 6.385
172 2HG LYS 25 2HG LYS 25 5.017 0.242 6.717
173 1HD LYS 25 1HD LYS 25 3.031 1.546 7.380
174 2HD LYS 25 2HD LYS 25 1.988 0.188 7.015
175 1HE LYS 25 1HE LYS 25 2.472 0.284 9.439
176 2HE LYS 25 2HE LYS 25 3.156 -1.177 8.740
177 1HZ LYS 25 1HZ LYS 25 4.813 1.235 8.871
178 2HZ LYS 25 2HZ LYS 25 4.557 0.336 10.289
179 3HZ LYS 25 3HZ LYS 25 5.268 -0.399 8.933
180 H CYS 26 H CYS 26 1.882 2.269 3.588
181 HA CYS 26 HA CYS 26 1.425 1.610 0.786
182 1HB CYS 26 1HB CYS 26 1.408 4.203 2.271
183 2HB CYS 26 2HB CYS 26 0.946 4.040 0.595
184 1HN NH2 27 1HT NH2 27 2.381 2.840 -1.026
185 2HN NH2 27 2HT NH2 27 4.036 3.197 -1.003
Start of MODEL 7
1 1H CYS 1 1H CYS 1 -8.193 7.574 1.395
2 2H CYS 1 2H CYS 1 -9.059 6.421 0.496
3 3H CYS 1 3H CYS 1 -8.760 6.161 2.149
4 HA CYS 1 HA CYS 1 -7.293 4.810 0.824
5 1HB CYS 1 1HB CYS 1 -5.651 5.886 -0.632
6 2HB CYS 1 2HB CYS 1 -7.263 6.241 -1.166
7 H LYS 2 H LYS 2 -4.800 4.919 1.050
8 HA LYS 2 HA LYS 2 -4.109 6.158 3.686
9 1HB LYS 2 1HB LYS 2 -3.271 3.457 2.554
10 2HB LYS 2 2HB LYS 2 -2.696 4.096 4.070
11 1HG LYS 2 1HG LYS 2 -5.598 3.419 3.379
12 2HG LYS 2 2HG LYS 2 -4.543 2.467 4.396
13 1HD LYS 2 1HD LYS 2 -5.536 5.287 5.029
14 2HD LYS 2 2HD LYS 2 -6.127 3.805 5.742
15 1HE LYS 2 1HE LYS 2 -3.877 3.353 6.712
16 2HE LYS 2 2HE LYS 2 -3.283 4.841 5.990
17 1HZ LYS 2 1HZ LYS 2 -5.397 5.753 7.288
18 2HZ LYS 2 2HZ LYS 2 -4.959 4.464 8.303
19 3HZ LYS 2 3HZ LYS 2 -3.833 5.685 7.947
20 H GLY 3 H GLY 3 -2.671 7.658 3.440
21 1HA GLY 3 1HA GLY 3 -1.152 8.311 1.172
22 2HA GLY 3 2HA GLY 3 -0.738 8.818 2.805
23 H LYS 4 H LYS 4 1.298 8.387 1.070
24 HA LYS 4 HA LYS 4 2.389 5.814 0.827
25 1HB LYS 4 1HB LYS 4 3.276 7.836 -0.290
26 2HB LYS 4 2HB LYS 4 3.854 8.448 1.248
27 1HG LYS 4 1HG LYS 4 5.378 6.493 1.476
28 2HG LYS 4 2HG LYS 4 4.768 5.834 -0.033
29 1HD LYS 4 1HD LYS 4 5.592 7.848 -1.244
30 2HD LYS 4 2HD LYS 4 6.180 8.524 0.265
31 1HE LYS 4 1HE LYS 4 7.717 6.588 0.537
32 2HE LYS 4 2HE LYS 4 7.122 5.897 -0.969
33 1HZ LYS 4 1HZ LYS 4 7.796 8.143 -1.956
34 2HZ LYS 4 2HZ LYS 4 8.737 8.316 -0.554
35 3HZ LYS 4 3HZ LYS 4 9.007 7.007 -1.602
36 H GLY 5 H GLY 5 3.344 4.432 2.111
37 1HA GLY 5 1HA GLY 5 4.348 3.425 3.955
38 2HA GLY 5 2HA GLY 5 4.753 5.023 4.554
39 H ALA 6 H ALA 6 1.438 4.702 3.954
40 HA ALA 6 HA ALA 6 0.892 4.564 6.864
41 1HB ALA 6 1HB ALA 6 -0.089 6.419 5.546
42 2HB ALA 6 2HB ALA 6 -0.928 5.259 4.527
43 3HB ALA 6 3HB ALA 6 -1.355 5.417 6.215
44 HA PRO 7 HA PRO 7 -0.384 0.450 6.967
45 1HB PRO 7 1HB PRO 7 -2.716 0.586 8.573
46 2HB PRO 7 2HB PRO 7 -1.057 0.412 9.108
47 1HG PRO 7 1HG PRO 7 -2.784 2.786 9.172
48 2HG PRO 7 2HG PRO 7 -1.306 2.468 10.069
49 1HD PRO 7 1HD PRO 7 -1.582 4.215 7.864
50 2HD PRO 7 2HD PRO 7 -0.052 3.665 8.569
51 H CYS 8 H CYS 8 -0.873 0.078 4.834
52 HA CYS 8 HA CYS 8 -3.731 0.084 4.005
53 1HB CYS 8 1HB CYS 8 -2.834 -0.272 1.740
54 2HB CYS 8 2HB CYS 8 -2.356 1.235 2.408
55 H ARG 9 H ARG 9 -4.347 -1.580 2.530
56 HA ARG 9 HA ARG 9 -3.302 -4.295 3.162
57 1HB ARG 9 1HB ARG 9 -5.846 -4.874 2.631
58 2HB ARG 9 2HB ARG 9 -5.445 -4.281 4.227
59 1HG ARG 9 1HG ARG 9 -6.073 -1.961 3.430
60 2HG ARG 9 2HG ARG 9 -6.539 -2.688 1.898
61 1HD ARG 9 1HD ARG 9 -8.331 -3.941 2.972
62 2HD ARG 9 2HD ARG 9 -7.716 -3.558 4.580
63 HE ARG 9 HE ARG 9 -8.798 -1.498 4.436
64 1HH1 ARG 9 1HH1 ARG 9 -8.330 -2.799 1.276
65 2HH1 ARG 9 2HH1 ARG 9 -9.175 -1.510 0.490
66 1HH2 ARG 9 1HH2 ARG 9 -9.866 0.141 3.490
67 2HH2 ARG 9 2HH2 ARG 9 -10.068 0.188 1.768
68 H LYS 10 H LYS 10 -2.368 -5.001 1.538
69 HA LYS 10 HA LYS 10 -2.202 -3.992 -1.115
70 1HB LYS 10 1HB LYS 10 -1.762 -6.948 -0.396
71 2HB LYS 10 2HB LYS 10 -1.089 -6.073 -1.727
72 1HG LYS 10 1HG LYS 10 0.665 -6.405 -0.124
73 2HG LYS 10 2HG LYS 10 0.290 -4.707 -0.223
74 1HD LYS 10 1HD LYS 10 0.747 -5.459 2.072
75 2HD LYS 10 2HD LYS 10 -0.805 -4.733 1.987
76 1HE LYS 10 1HE LYS 10 -0.080 -7.720 2.068
77 2HE LYS 10 2HE LYS 10 -0.771 -6.799 3.387
78 1HZ LYS 10 1HZ LYS 10 -2.581 -6.476 1.403
79 2HZ LYS 10 2HZ LYS 10 -2.056 -8.071 1.182
80 3HZ LYS 10 3HZ LYS 10 -2.688 -7.583 2.679
81 H THR 11 H THR 11 -3.978 -6.334 0.486
82 HA THR 11 HA THR 11 -5.404 -7.909 -1.149
83 HB THR 11 HB THR 11 -6.538 -6.269 1.169
84 HG1 THR 11 HG1 THR 11 -4.919 -8.550 0.824
85 1HG2 THR 11 1HG2 THR 11 -7.274 -9.089 0.136
86 2HG2 THR 11 2HG2 THR 11 -8.013 -8.276 1.507
87 3HG2 THR 11 3HG2 THR 11 -8.293 -7.683 -0.118
88 H MET 12 H MET 12 -6.075 -4.511 -0.686
89 HA MET 12 HA MET 12 -7.853 -4.540 -3.093
90 1HB MET 12 1HB MET 12 -8.341 -2.758 -0.712
91 2HB MET 12 2HB MET 12 -9.450 -3.128 -2.011
92 1HG MET 12 1HG MET 12 -9.507 -5.544 -1.161
93 2HG MET 12 2HG MET 12 -8.544 -5.006 0.165
94 1HE MET 12 1HE MET 12 -11.951 -5.798 -1.000
95 2HE MET 12 2HE MET 12 -13.010 -4.618 -0.254
96 3HE MET 12 3HE MET 12 -11.987 -4.117 -1.589
97 H TYR 13 H TYR 13 -5.093 -3.411 -1.719
98 HA TYR 13 HA TYR 13 -3.630 -1.640 -2.102
99 1HB TYR 13 1HB TYR 13 -5.339 -1.433 -4.649
100 2HB TYR 13 2HB TYR 13 -3.775 -0.648 -4.440
101 HD1 TYR 13 HD1 TYR 13 -1.780 -2.188 -3.795
102 HD2 TYR 13 HD2 TYR 13 -5.434 -3.683 -5.399
103 HE1 TYR 13 HE1 TYR 13 -0.655 -4.267 -4.422
104 HE2 TYR 13 HE2 TYR 13 -4.304 -5.761 -6.026
105 HH TYR 13 HH TYR 13 -1.869 -6.439 -6.567
106 H ASP 14 H ASP 14 -4.835 -1.016 -0.313
107 HA ASP 14 HA ASP 14 -6.891 1.026 -0.395
108 1HB ASP 14 1HB ASP 14 -6.860 -0.715 1.231
109 2HB ASP 14 2HB ASP 14 -5.278 -0.345 1.785
110 H CYS 15 H CYS 15 -3.934 1.405 -1.293
111 HA CYS 15 HA CYS 15 -3.251 3.804 0.312
112 1HB CYS 15 1HB CYS 15 -1.746 2.445 -1.886
113 2HB CYS 15 2HB CYS 15 -1.145 3.782 -0.936
114 H CYS 16 H CYS 16 -2.903 5.806 -0.451
115 HA CYS 16 HA CYS 16 -4.589 6.767 -2.566
116 1HB CYS 16 1HB CYS 16 -2.247 8.118 -1.170
117 2HB CYS 16 2HB CYS 16 -3.535 8.919 -2.027
118 H SER 17 H SER 17 -1.311 5.853 -2.128
119 HA SER 17 HA SER 17 -0.304 6.721 -4.726
120 1HB SER 17 1HB SER 17 1.178 6.574 -2.672
121 2HB SER 17 2HB SER 17 0.932 4.824 -2.651
122 HG SER 17 HG SER 17 1.733 4.754 -4.783
123 H GLY 18 H GLY 18 -1.819 3.981 -3.298
124 1HA GLY 18 1HA GLY 18 -2.822 2.126 -4.309
125 2HA GLY 18 2HA GLY 18 -2.190 2.650 -5.862
126 H SER 19 H SER 19 0.530 2.737 -4.302
127 HA SER 19 HA SER 19 1.277 -0.044 -4.973
128 1HB SER 19 1HB SER 19 3.630 0.914 -4.792
129 2HB SER 19 2HB SER 19 2.630 1.835 -5.923
130 HG SER 19 HG SER 19 2.207 3.316 -4.330
131 H CYS 20 H CYS 20 -0.088 -0.609 -2.985
132 HA CYS 20 HA CYS 20 1.069 -0.058 -0.387
133 1HB CYS 20 1HB CYS 20 -1.311 -0.526 -0.606
134 2HB CYS 20 2HB CYS 20 -1.015 -2.113 -1.204
135 H GLY 21 H GLY 21 2.865 -0.810 0.258
136 1HA GLY 21 1HA GLY 21 4.339 -3.012 -0.789
137 2HA GLY 21 2HA GLY 21 4.698 -2.154 0.703
138 H ARG 22 H ARG 22 5.164 -4.751 0.483
139 HA ARG 22 HA ARG 22 3.084 -6.506 1.465
140 1HB ARG 22 1HB ARG 22 6.110 -6.859 1.456
141 2HB ARG 22 2HB ARG 22 4.975 -8.117 1.868
142 1HG ARG 22 1HG ARG 22 5.709 -8.445 -0.422
143 2HG ARG 22 2HG ARG 22 4.015 -8.033 -0.412
144 1HD ARG 22 1HD ARG 22 5.303 -6.864 -2.229
145 2HD ARG 22 2HD ARG 22 4.484 -5.738 -1.175
146 HE ARG 22 HE ARG 22 6.591 -4.955 -0.489
147 1HH1 ARG 22 1HH1 ARG 22 6.919 -8.093 -1.934
148 2HH1 ARG 22 2HH1 ARG 22 8.649 -8.057 -1.870
149 1HH2 ARG 22 1HH2 ARG 22 8.772 -4.896 -0.413
150 2HH2 ARG 22 2HH2 ARG 22 9.712 -6.228 -1.004
151 H ARG 23 H ARG 23 5.042 -4.209 2.941
152 HA ARG 23 HA ARG 23 5.195 -5.437 5.584
153 1HB ARG 23 1HB ARG 23 6.914 -3.831 4.746
154 2HB ARG 23 2HB ARG 23 5.695 -2.592 4.579
155 1HG ARG 23 1HG ARG 23 7.082 -2.259 6.598
156 2HG ARG 23 2HG ARG 23 5.405 -2.472 7.029
157 1HD ARG 23 1HD ARG 23 5.865 -4.858 7.600
158 2HD ARG 23 2HD ARG 23 7.549 -4.636 7.125
159 HE ARG 23 HE ARG 23 7.129 -2.635 8.981
160 1HH1 ARG 23 1HH1 ARG 23 6.637 -6.071 8.955
161 2HH1 ARG 23 2HH1 ARG 23 6.890 -6.228 10.660
162 1HH2 ARG 23 1HH2 ARG 23 7.456 -2.818 11.135
163 2HH2 ARG 23 2HH2 ARG 23 7.362 -4.362 11.913
164 H GLY 24 H GLY 24 2.706 -4.333 3.819
165 1HA GLY 24 1HA GLY 24 0.473 -3.957 4.440
166 2HA GLY 24 2HA GLY 24 0.964 -3.970 6.141
167 H LYS 25 H LYS 25 2.944 -2.070 4.194
168 HA LYS 25 HA LYS 25 1.526 0.451 5.001
169 1HB LYS 25 1HB LYS 25 4.510 0.025 4.578
170 2HB LYS 25 2HB LYS 25 3.759 1.513 5.080
171 1HG LYS 25 1HG LYS 25 3.665 -1.044 6.727
172 2HG LYS 25 2HG LYS 25 4.758 0.296 7.022
173 1HD LYS 25 1HD LYS 25 2.809 1.811 7.380
174 2HD LYS 25 2HD LYS 25 1.710 0.486 7.076
175 1HE LYS 25 1HE LYS 25 2.631 -0.734 9.035
176 2HE LYS 25 2HE LYS 25 3.734 0.605 9.339
177 1HZ LYS 25 1HZ LYS 25 0.850 1.110 9.115
178 2HZ LYS 25 2HZ LYS 25 1.496 0.499 10.565
179 3HZ LYS 25 3HZ LYS 25 2.039 1.988 9.952
180 H CYS 26 H CYS 26 1.917 2.210 3.582
181 HA CYS 26 HA CYS 26 1.607 1.387 0.794
182 1HB CYS 26 1HB CYS 26 1.439 4.054 2.129
183 2HB CYS 26 2HB CYS 26 1.065 3.773 0.445
184 1HN NH2 27 1HT NH2 27 2.580 2.743 -0.992
185 2HN NH2 27 2HT NH2 27 4.239 3.068 -0.916
Start of MODEL 8
1 1H CYS 1 1H CYS 1 -8.110 7.670 1.429
2 2H CYS 1 2H CYS 1 -9.026 6.577 0.507
3 3H CYS 1 3H CYS 1 -8.738 6.269 2.154
4 HA CYS 1 HA CYS 1 -7.328 4.878 0.837
5 1HB CYS 1 1HB CYS 1 -5.669 5.902 -0.657
6 2HB CYS 1 2HB CYS 1 -7.287 6.246 -1.177
7 H LYS 2 H LYS 2 -4.789 4.962 0.974
8 HA LYS 2 HA LYS 2 -4.047 6.143 3.621
9 1HB LYS 2 1HB LYS 2 -3.225 3.466 2.416
10 2HB LYS 2 2HB LYS 2 -2.644 4.073 3.945
11 1HG LYS 2 1HG LYS 2 -5.545 3.433 3.300
12 2HG LYS 2 2HG LYS 2 -4.448 2.438 4.237
13 1HD LYS 2 1HD LYS 2 -4.262 4.238 5.943
14 2HD LYS 2 2HD LYS 2 -5.344 5.255 5.006
15 1HE LYS 2 1HE LYS 2 -6.603 4.119 6.792
16 2HE LYS 2 2HE LYS 2 -7.148 3.557 5.219
17 1HZ LYS 2 1HZ LYS 2 -5.010 1.956 6.068
18 2HZ LYS 2 2HZ LYS 2 -6.150 2.051 7.323
19 3HZ LYS 2 3HZ LYS 2 -6.624 1.514 5.781
20 H GLY 3 H GLY 3 -2.631 7.645 3.412
21 1HA GLY 3 1HA GLY 3 -1.077 8.284 1.127
22 2HA GLY 3 2HA GLY 3 -0.738 8.868 2.757
23 H LYS 4 H LYS 4 1.310 8.237 0.939
24 HA LYS 4 HA LYS 4 2.398 5.666 1.011
25 1HB LYS 4 1HB LYS 4 3.299 7.524 -0.334
26 2HB LYS 4 2HB LYS 4 3.917 8.294 1.118
27 1HG LYS 4 1HG LYS 4 5.363 6.305 1.562
28 2HG LYS 4 2HG LYS 4 4.711 5.517 0.135
29 1HD LYS 4 1HD LYS 4 5.638 7.345 -1.288
30 2HD LYS 4 2HD LYS 4 6.269 8.139 0.144
31 1HE LYS 4 1HE LYS 4 8.038 6.798 -0.975
32 2HE LYS 4 2HE LYS 4 7.695 6.144 0.620
33 1HZ LYS 4 1HZ LYS 4 6.384 5.127 -1.827
34 2HZ LYS 4 2HZ LYS 4 7.859 4.510 -1.249
35 3HZ LYS 4 3HZ LYS 4 6.459 4.400 -0.294
36 H GLY 5 H GLY 5 3.134 4.404 2.512
37 1HA GLY 5 1HA GLY 5 4.377 3.686 4.380
38 2HA GLY 5 2HA GLY 5 4.530 5.341 4.925
39 H ALA 6 H ALA 6 1.341 4.714 4.161
40 HA ALA 6 HA ALA 6 0.623 4.467 7.024
41 1HB ALA 6 1HB ALA 6 -1.061 5.122 4.582
42 2HB ALA 6 2HB ALA 6 -1.650 5.159 6.232
43 3HB ALA 6 3HB ALA 6 -0.407 6.285 5.717
44 HA PRO 7 HA PRO 7 -0.385 0.236 6.840
45 1HB PRO 7 1HB PRO 7 -2.668 0.136 8.493
46 2HB PRO 7 2HB PRO 7 -0.992 0.064 8.996
47 1HG PRO 7 1HG PRO 7 -2.894 2.298 9.194
48 2HG PRO 7 2HG PRO 7 -1.395 2.038 10.074
49 1HD PRO 7 1HD PRO 7 -1.794 3.876 7.948
50 2HD PRO 7 2HD PRO 7 -0.234 3.407 8.647
51 H CYS 8 H CYS 8 -0.892 0.080 4.676
52 HA CYS 8 HA CYS 8 -3.725 0.148 3.847
53 1HB CYS 8 1HB CYS 8 -2.763 -0.268 1.596
54 2HB CYS 8 2HB CYS 8 -2.334 1.235 2.303
55 H ARG 9 H ARG 9 -4.681 -1.328 2.738
56 HA ARG 9 HA ARG 9 -4.118 -4.172 3.315
57 1HB ARG 9 1HB ARG 9 -6.527 -2.839 1.979
58 2HB ARG 9 2HB ARG 9 -6.465 -4.485 2.556
59 1HG ARG 9 1HG ARG 9 -6.367 -1.992 4.299
60 2HG ARG 9 2HG ARG 9 -7.779 -2.983 4.028
61 1HD ARG 9 1HD ARG 9 -6.852 -3.621 6.167
62 2HD ARG 9 2HD ARG 9 -6.543 -4.927 5.035
63 HE ARG 9 HE ARG 9 -4.242 -4.536 5.238
64 1HH1 ARG 9 1HH1 ARG 9 -6.050 -1.860 6.505
65 2HH1 ARG 9 2HH1 ARG 9 -4.655 -1.096 7.189
66 1HH2 ARG 9 1HH2 ARG 9 -2.463 -3.578 6.102
67 2HH2 ARG 9 2HH2 ARG 9 -2.598 -2.076 6.956
68 H LYS 10 H LYS 10 -2.663 -4.850 1.837
69 HA LYS 10 HA LYS 10 -2.242 -3.864 -0.818
70 1HB LYS 10 1HB LYS 10 -1.826 -6.807 -0.019
71 2HB LYS 10 2HB LYS 10 -1.072 -5.954 -1.328
72 1HG LYS 10 1HG LYS 10 0.557 -6.229 0.410
73 2HG LYS 10 2HG LYS 10 0.184 -4.537 0.219
74 1HD LYS 10 1HD LYS 10 0.466 -5.180 2.550
75 2HD LYS 10 2HD LYS 10 -1.101 -4.512 2.329
76 1HE LYS 10 1HE LYS 10 -0.329 -7.475 2.571
77 2HE LYS 10 2HE LYS 10 -1.110 -6.521 3.814
78 1HZ LYS 10 1HZ LYS 10 -2.747 -6.347 1.604
79 2HZ LYS 10 2HZ LYS 10 -2.259 -7.967 1.689
80 3HZ LYS 10 3HZ LYS 10 -3.009 -7.235 3.023
81 H THR 11 H THR 11 -4.118 -6.209 0.645
82 HA THR 11 HA THR 11 -5.391 -7.834 -1.071
83 HB THR 11 HB THR 11 -6.704 -6.160 1.128
84 HG1 THR 11 HG1 THR 11 -4.856 -7.268 1.740
85 1HG2 THR 11 1HG2 THR 11 -7.360 -9.005 0.089
86 2HG2 THR 11 2HG2 THR 11 -8.202 -8.172 1.385
87 3HG2 THR 11 3HG2 THR 11 -8.358 -7.607 -0.268
88 H MET 12 H MET 12 -6.435 -4.564 -0.451
89 HA MET 12 HA MET 12 -7.949 -4.500 -3.025
90 1HB MET 12 1HB MET 12 -9.508 -2.909 -1.829
91 2HB MET 12 2HB MET 12 -9.505 -4.532 -1.173
92 1HG MET 12 1HG MET 12 -8.026 -3.872 0.628
93 2HG MET 12 2HG MET 12 -7.827 -2.264 0.012
94 1HE MET 12 1HE MET 12 -9.921 -0.765 -0.436
95 2HE MET 12 2HE MET 12 -10.939 -0.419 0.938
96 3HE MET 12 3HE MET 12 -9.192 -0.242 1.097
97 H TYR 13 H TYR 13 -5.192 -3.432 -1.863
98 HA TYR 13 HA TYR 13 -3.805 -1.578 -2.199
99 1HB TYR 13 1HB TYR 13 -5.628 -1.331 -4.657
100 2HB TYR 13 2HB TYR 13 -4.034 -0.594 -4.509
101 HD1 TYR 13 HD1 TYR 13 -2.026 -2.149 -4.105
102 HD2 TYR 13 HD2 TYR 13 -5.846 -3.616 -5.289
103 HE1 TYR 13 HE1 TYR 13 -1.001 -4.255 -4.811
104 HE2 TYR 13 HE2 TYR 13 -4.818 -5.722 -5.994
105 HH TYR 13 HH TYR 13 -2.509 -6.470 -6.761
106 H ASP 14 H ASP 14 -4.962 -0.958 -0.337
107 HA ASP 14 HA ASP 14 -6.992 1.110 -0.369
108 1HB ASP 14 1HB ASP 14 -6.922 -0.650 1.291
109 2HB ASP 14 2HB ASP 14 -5.309 -0.252 1.725
110 H CYS 15 H CYS 15 -3.979 1.406 -1.302
111 HA CYS 15 HA CYS 15 -3.247 3.832 0.235
112 1HB CYS 15 1HB CYS 15 -1.807 2.415 -1.967
113 2HB CYS 15 2HB CYS 15 -1.172 3.769 -1.069
114 H CYS 16 H CYS 16 -2.948 5.815 -0.554
115 HA CYS 16 HA CYS 16 -4.646 6.734 -2.672
116 1HB CYS 16 1HB CYS 16 -2.277 8.122 -1.355
117 2HB CYS 16 2HB CYS 16 -3.593 8.894 -2.194
118 H SER 17 H SER 17 -1.380 5.795 -2.281
119 HA SER 17 HA SER 17 -0.425 6.594 -4.931
120 1HB SER 17 1HB SER 17 1.079 6.634 -2.901
121 2HB SER 17 2HB SER 17 0.899 4.882 -2.760
122 HG SER 17 HG SER 17 1.792 4.621 -4.760
123 H GLY 18 H GLY 18 -1.835 3.888 -3.353
124 1HA GLY 18 1HA GLY 18 -2.721 1.912 -4.243
125 2HA GLY 18 2HA GLY 18 -2.147 2.399 -5.832
126 H SER 19 H SER 19 0.536 2.742 -4.157
127 HA SER 19 HA SER 19 1.578 0.067 -4.841
128 1HB SER 19 1HB SER 19 3.811 1.226 -4.487
129 2HB SER 19 2HB SER 19 2.793 2.107 -5.636
130 HG SER 19 HG SER 19 2.034 3.341 -3.835
131 H CYS 20 H CYS 20 0.147 -0.673 -2.945
132 HA CYS 20 HA CYS 20 1.232 -0.168 -0.277
133 1HB CYS 20 1HB CYS 20 -1.162 -0.560 -0.613
134 2HB CYS 20 2HB CYS 20 -0.868 -2.159 -1.193
135 H GLY 21 H GLY 21 3.096 -0.948 0.204
136 1HA GLY 21 1HA GLY 21 4.421 -3.198 -0.887
137 2HA GLY 21 2HA GLY 21 4.880 -2.365 0.581
138 H ARG 22 H ARG 22 5.403 -4.826 0.483
139 HA ARG 22 HA ARG 22 3.454 -6.750 1.387
140 1HB ARG 22 1HB ARG 22 6.494 -6.810 1.557
141 2HB ARG 22 2HB ARG 22 5.446 -8.191 1.822
142 1HG ARG 22 1HG ARG 22 4.592 -8.008 -0.503
143 2HG ARG 22 2HG ARG 22 5.626 -6.616 -0.782
144 1HD ARG 22 1HD ARG 22 7.639 -7.989 -0.342
145 2HD ARG 22 2HD ARG 22 6.641 -9.402 -0.027
146 HE ARG 22 HE ARG 22 7.270 -8.257 -2.640
147 1HH1 ARG 22 1HH1 ARG 22 5.041 -10.188 -0.813
148 2HH1 ARG 22 2HH1 ARG 22 4.454 -11.028 -2.208
149 1HH2 ARG 22 1HH2 ARG 22 6.535 -9.312 -4.417
150 2HH2 ARG 22 2HH2 ARG 22 5.309 -10.526 -4.271
151 H ARG 23 H ARG 23 5.402 -4.428 2.939
152 HA ARG 23 HA ARG 23 5.289 -5.603 5.613
153 1HB ARG 23 1HB ARG 23 6.382 -3.559 6.355
154 2HB ARG 23 2HB ARG 23 7.138 -4.057 4.864
155 1HG ARG 23 1HG ARG 23 5.091 -1.820 5.158
156 2HG ARG 23 2HG ARG 23 6.806 -1.613 4.914
157 1HD ARG 23 1HD ARG 23 6.562 -2.742 2.643
158 2HD ARG 23 2HD ARG 23 4.821 -2.765 2.929
159 HE ARG 23 HE ARG 23 4.699 -0.494 2.530
160 1HH1 ARG 23 1HH1 ARG 23 8.001 -1.452 2.970
161 2HH1 ARG 23 2HH1 ARG 23 8.626 0.081 2.465
162 1HH2 ARG 23 1HH2 ARG 23 5.458 1.435 1.902
163 2HH2 ARG 23 2HH2 ARG 23 7.160 1.752 1.851
164 H GLY 24 H GLY 24 2.937 -4.439 3.731
165 1HA GLY 24 1HA GLY 24 0.714 -3.941 4.265
166 2HA GLY 24 2HA GLY 24 1.151 -3.903 5.965
167 H LYS 25 H LYS 25 3.171 -1.944 4.042
168 HA LYS 25 HA LYS 25 1.546 0.473 4.811
169 1HB LYS 25 1HB LYS 25 4.582 0.337 4.539
170 2HB LYS 25 2HB LYS 25 3.648 1.719 5.016
171 1HG LYS 25 1HG LYS 25 3.733 -0.858 6.630
172 2HG LYS 25 2HG LYS 25 4.661 0.586 6.991
173 1HD LYS 25 1HD LYS 25 2.544 1.883 7.247
174 2HD LYS 25 2HD LYS 25 1.621 0.448 6.876
175 1HE LYS 25 1HE LYS 25 2.544 -0.683 8.875
176 2HE LYS 25 2HE LYS 25 3.489 0.752 9.252
177 1HZ LYS 25 1HZ LYS 25 0.691 1.256 8.812
178 2HZ LYS 25 2HZ LYS 25 1.018 0.264 10.152
179 3HZ LYS 25 3HZ LYS 25 1.722 1.808 10.044
180 H CYS 26 H CYS 26 1.869 2.319 3.490
181 HA CYS 26 HA CYS 26 1.698 1.595 0.655
182 1HB CYS 26 1HB CYS 26 1.314 4.184 2.097
183 2HB CYS 26 2HB CYS 26 0.974 3.937 0.402
184 1HN NH2 27 1HT NH2 27 2.694 2.913 -1.071
185 2HN NH2 27 2HT NH2 27 4.298 3.428 -0.898
Start of MODEL 9
1 1H CYS 1 1H CYS 1 -8.220 7.626 1.623
2 2H CYS 1 2H CYS 1 -9.105 6.371 0.900
3 3H CYS 1 3H CYS 1 -8.617 6.240 2.521
4 HA CYS 1 HA CYS 1 -7.203 4.878 1.187
5 1HB CYS 1 1HB CYS 1 -5.831 5.860 -0.574
6 2HB CYS 1 2HB CYS 1 -7.513 6.103 -0.936
7 H LYS 2 H LYS 2 -5.060 4.619 1.742
8 HA LYS 2 HA LYS 2 -4.099 6.423 3.889
9 1HB LYS 2 1HB LYS 2 -3.262 3.619 3.058
10 2HB LYS 2 2HB LYS 2 -2.489 4.504 4.344
11 1HG LYS 2 1HG LYS 2 -4.046 2.977 5.321
12 2HG LYS 2 2HG LYS 2 -4.641 4.597 5.584
13 1HD LYS 2 1HD LYS 2 -6.301 4.308 3.751
14 2HD LYS 2 2HD LYS 2 -5.653 2.706 3.424
15 1HE LYS 2 1HE LYS 2 -6.923 3.622 6.043
16 2HE LYS 2 2HE LYS 2 -7.707 2.619 4.833
17 1HZ LYS 2 1HZ LYS 2 -5.564 1.179 5.193
18 2HZ LYS 2 2HZ LYS 2 -5.578 1.947 6.708
19 3HZ LYS 2 3HZ LYS 2 -6.918 1.031 6.206
20 H GLY 3 H GLY 3 -2.500 7.786 3.572
21 1HA GLY 3 1HA GLY 3 -1.236 8.295 1.080
22 2HA GLY 3 2HA GLY 3 -0.668 8.906 2.632
23 H LYS 4 H LYS 4 1.362 8.371 0.976
24 HA LYS 4 HA LYS 4 2.236 5.695 0.775
25 1HB LYS 4 1HB LYS 4 4.397 6.684 0.242
26 2HB LYS 4 2HB LYS 4 3.116 7.542 -0.551
27 1HG LYS 4 1HG LYS 4 4.587 9.237 0.138
28 2HG LYS 4 2HG LYS 4 3.307 9.294 1.329
29 1HD LYS 4 1HD LYS 4 4.761 7.995 2.935
30 2HD LYS 4 2HD LYS 4 5.983 7.897 1.697
31 1HE LYS 4 1HE LYS 4 6.176 10.374 1.706
32 2HE LYS 4 2HE LYS 4 4.889 10.479 2.901
33 1HZ LYS 4 1HZ LYS 4 7.278 8.847 3.423
34 2HZ LYS 4 2HZ LYS 4 7.307 10.526 3.671
35 3HZ LYS 4 3HZ LYS 4 6.201 9.561 4.525
36 H GLY 5 H GLY 5 3.582 4.453 1.989
37 1HA GLY 5 1HA GLY 5 4.544 3.498 3.868
38 2HA GLY 5 2HA GLY 5 4.922 5.123 4.408
39 H ALA 6 H ALA 6 1.631 4.789 3.907
40 HA ALA 6 HA ALA 6 1.142 4.664 6.835
41 1HB ALA 6 1HB ALA 6 0.168 6.533 5.575
42 2HB ALA 6 2HB ALA 6 -0.700 5.413 4.547
43 3HB ALA 6 3HB ALA 6 -1.119 5.546 6.237
44 HA PRO 7 HA PRO 7 -0.211 0.591 6.969
45 1HB PRO 7 1HB PRO 7 -2.335 0.680 8.796
46 2HB PRO 7 2HB PRO 7 -0.625 0.639 9.183
47 1HG PRO 7 1HG PRO 7 -2.495 2.931 9.255
48 2HG PRO 7 2HG PRO 7 -1.001 2.684 10.151
49 1HD PRO 7 1HD PRO 7 -1.318 4.380 7.922
50 2HD PRO 7 2HD PRO 7 0.233 3.827 8.579
51 H CYS 8 H CYS 8 -0.905 0.334 4.873
52 HA CYS 8 HA CYS 8 -3.785 0.540 4.197
53 1HB CYS 8 1HB CYS 8 -2.892 -0.021 1.888
54 2HB CYS 8 2HB CYS 8 -2.400 1.467 2.524
55 H ARG 9 H ARG 9 -3.921 -1.316 2.244
56 HA ARG 9 HA ARG 9 -3.546 -3.971 3.480
57 1HB ARG 9 1HB ARG 9 -5.826 -2.951 3.891
58 2HB ARG 9 2HB ARG 9 -6.067 -2.920 2.154
59 1HG ARG 9 1HG ARG 9 -5.681 -5.425 2.150
60 2HG ARG 9 2HG ARG 9 -5.682 -5.365 3.898
61 1HD ARG 9 1HD ARG 9 -8.012 -4.523 2.105
62 2HD ARG 9 2HD ARG 9 -7.960 -5.917 3.166
63 HE ARG 9 HE ARG 9 -8.171 -4.495 5.069
64 1HH1 ARG 9 1HH1 ARG 9 -8.007 -2.707 2.085
65 2HH1 ARG 9 2HH1 ARG 9 -8.551 -1.239 2.817
66 1HH2 ARG 9 1HH2 ARG 9 -8.859 -2.629 5.991
67 2HH2 ARG 9 2HH2 ARG 9 -9.037 -1.191 5.041
68 H LYS 10 H LYS 10 -2.137 -4.703 2.151
69 HA LYS 10 HA LYS 10 -1.389 -4.184 -0.429
70 1HB LYS 10 1HB LYS 10 -0.111 -5.686 0.926
71 2HB LYS 10 2HB LYS 10 -1.476 -6.743 1.190
72 1HG LYS 10 1HG LYS 10 0.111 -7.751 -0.353
73 2HG LYS 10 2HG LYS 10 -1.427 -7.489 -1.135
74 1HD LYS 10 1HD LYS 10 0.252 -6.933 -2.677
75 2HD LYS 10 2HD LYS 10 -0.452 -5.414 -2.187
76 1HE LYS 10 1HE LYS 10 1.353 -4.972 -0.614
77 2HE LYS 10 2HE LYS 10 2.098 -6.529 -0.963
78 1HZ LYS 10 1HZ LYS 10 1.618 -4.490 -3.042
79 2HZ LYS 10 2HZ LYS 10 3.043 -4.546 -2.124
80 3HZ LYS 10 3HZ LYS 10 2.624 -5.855 -3.122
81 H THR 11 H THR 11 -3.640 -6.512 0.584
82 HA THR 11 HA THR 11 -4.701 -7.955 -1.314
83 HB THR 11 HB THR 11 -6.434 -6.168 0.461
84 HG1 THR 11 HG1 THR 11 -5.151 -8.700 0.730
85 1HG2 THR 11 1HG2 THR 11 -6.931 -9.003 -0.659
86 2HG2 THR 11 2HG2 THR 11 -8.027 -8.102 0.376
87 3HG2 THR 11 3HG2 THR 11 -7.748 -7.574 -1.273
88 H MET 12 H MET 12 -5.614 -4.543 -1.135
89 HA MET 12 HA MET 12 -6.294 -4.631 -4.039
90 1HB MET 12 1HB MET 12 -8.424 -3.436 -3.595
91 2HB MET 12 2HB MET 12 -8.367 -4.974 -2.758
92 1HG MET 12 1HG MET 12 -7.678 -3.855 -0.667
93 2HG MET 12 2HG MET 12 -7.727 -2.312 -1.469
94 1HE MET 12 1HE MET 12 -9.433 -4.931 0.511
95 2HE MET 12 2HE MET 12 -11.150 -4.730 0.234
96 3HE MET 12 3HE MET 12 -10.159 -5.455 -1.024
97 H TYR 13 H TYR 13 -4.219 -3.410 -2.165
98 HA TYR 13 HA TYR 13 -2.987 -1.450 -1.992
99 1HB TYR 13 1HB TYR 13 -4.316 -0.917 -4.694
100 2HB TYR 13 2HB TYR 13 -2.863 -0.117 -4.112
101 HD1 TYR 13 HD1 TYR 13 -1.200 -2.260 -3.043
102 HD2 TYR 13 HD2 TYR 13 -3.755 -2.337 -6.451
103 HE1 TYR 13 HE1 TYR 13 0.138 -4.055 -4.007
104 HE2 TYR 13 HE2 TYR 13 -2.407 -4.139 -7.410
105 HH TYR 13 HH TYR 13 -0.248 -5.948 -5.669
106 H ASP 14 H ASP 14 -4.446 -1.085 -0.288
107 HA ASP 14 HA ASP 14 -6.731 0.707 -0.570
108 1HB ASP 14 1HB ASP 14 -6.579 -1.100 1.097
109 2HB ASP 14 2HB ASP 14 -5.215 -0.368 1.831
110 H CYS 15 H CYS 15 -3.864 1.455 -1.238
111 HA CYS 15 HA CYS 15 -3.460 3.877 0.423
112 1HB CYS 15 1HB CYS 15 -1.742 2.689 -1.738
113 2HB CYS 15 2HB CYS 15 -1.298 4.018 -0.697
114 H CYS 16 H CYS 16 -3.015 5.902 -0.488
115 HA CYS 16 HA CYS 16 -4.811 6.692 -2.603
116 1HB CYS 16 1HB CYS 16 -2.507 8.195 -1.306
117 2HB CYS 16 2HB CYS 16 -3.811 8.907 -2.212
118 H SER 17 H SER 17 -1.486 5.918 -2.166
119 HA SER 17 HA SER 17 -0.468 6.751 -4.739
120 1HB SER 17 1HB SER 17 1.009 6.409 -2.716
121 2HB SER 17 2HB SER 17 0.640 4.680 -2.759
122 HG SER 17 HG SER 17 1.492 4.572 -4.823
123 H GLY 18 H GLY 18 -2.160 4.050 -3.467
124 1HA GLY 18 1HA GLY 18 -3.161 2.216 -4.486
125 2HA GLY 18 2HA GLY 18 -2.727 2.931 -6.038
126 H SER 19 H SER 19 -0.352 2.273 -3.647
127 HA SER 19 HA SER 19 0.517 -0.236 -4.973
128 1HB SER 19 1HB SER 19 2.878 0.721 -5.153
129 2HB SER 19 2HB SER 19 1.734 1.648 -6.134
130 HG SER 19 HG SER 19 1.478 3.056 -4.353
131 H CYS 20 H CYS 20 -0.693 -0.460 -2.743
132 HA CYS 20 HA CYS 20 0.762 0.046 -0.347
133 1HB CYS 20 1HB CYS 20 -1.627 -0.505 -0.359
134 2HB CYS 20 2HB CYS 20 -1.299 -2.111 -0.907
135 H GLY 21 H GLY 21 1.916 -1.261 0.905
136 1HA GLY 21 1HA GLY 21 3.687 -3.213 -0.428
137 2HA GLY 21 2HA GLY 21 4.017 -2.396 1.084
138 H ARG 22 H ARG 22 4.248 -5.090 0.352
139 HA ARG 22 HA ARG 22 2.254 -6.795 1.493
140 1HB ARG 22 1HB ARG 22 4.063 -8.550 1.340
141 2HB ARG 22 2HB ARG 22 3.776 -7.687 -0.143
142 1HG ARG 22 1HG ARG 22 6.156 -7.998 0.114
143 2HG ARG 22 2HG ARG 22 5.806 -6.294 0.261
144 1HD ARG 22 1HD ARG 22 6.078 -6.408 2.709
145 2HD ARG 22 2HD ARG 22 6.322 -8.147 2.640
146 HE ARG 22 HE ARG 22 8.217 -6.035 1.910
147 1HH1 ARG 22 1HH1 ARG 22 7.349 -9.378 1.545
148 2HH1 ARG 22 2HH1 ARG 22 8.957 -9.858 1.122
149 1HH2 ARG 22 1HH2 ARG 22 10.248 -6.628 1.376
150 2HH2 ARG 22 2HH2 ARG 22 10.623 -8.281 1.023
151 H ARG 23 H ARG 23 4.428 -4.782 2.955
152 HA ARG 23 HA ARG 23 4.871 -6.293 5.437
153 1HB ARG 23 1HB ARG 23 6.407 -4.485 4.346
154 2HB ARG 23 2HB ARG 23 5.213 -3.306 4.798
155 1HG ARG 23 1HG ARG 23 6.916 -4.950 6.698
156 2HG ARG 23 2HG ARG 23 7.135 -3.264 6.315
157 1HD ARG 23 1HD ARG 23 6.126 -3.330 8.479
158 2HD ARG 23 2HD ARG 23 4.846 -2.836 7.376
159 HE ARG 23 HE ARG 23 4.738 -5.650 7.569
160 1HH1 ARG 23 1HH1 ARG 23 4.336 -2.839 9.558
161 2HH1 ARG 23 2HH1 ARG 23 3.193 -3.604 10.609
162 1HH2 ARG 23 1HH2 ARG 23 3.292 -6.638 8.886
163 2HH2 ARG 23 2HH2 ARG 23 2.591 -5.790 10.225
164 H GLY 24 H GLY 24 3.065 -3.619 4.085
165 1HA GLY 24 1HA GLY 24 0.552 -3.732 4.559
166 2HA GLY 24 2HA GLY 24 1.023 -3.705 6.261
167 H LYS 25 H LYS 25 3.095 -1.955 4.203
168 HA LYS 25 HA LYS 25 1.790 0.639 5.022
169 1HB LYS 25 1HB LYS 25 4.719 0.237 4.387
170 2HB LYS 25 2HB LYS 25 3.981 1.659 5.053
171 1HG LYS 25 1HG LYS 25 4.055 -0.979 6.549
172 2HG LYS 25 2HG LYS 25 5.140 0.366 6.844
173 1HD LYS 25 1HD LYS 25 3.231 1.817 7.447
174 2HD LYS 25 2HD LYS 25 2.095 0.533 7.096
175 1HE LYS 25 1HE LYS 25 3.134 -0.859 8.886
176 2HE LYS 25 2HE LYS 25 4.256 0.450 9.240
177 1HZ LYS 25 1HZ LYS 25 1.313 0.736 9.336
178 2HZ LYS 25 2HZ LYS 25 2.274 0.369 10.688
179 3HZ LYS 25 3HZ LYS 25 2.477 1.848 9.877
180 H CYS 26 H CYS 26 1.920 2.277 3.557
181 HA CYS 26 HA CYS 26 1.471 1.437 0.835
182 1HB CYS 26 1HB CYS 26 1.550 4.121 2.116
183 2HB CYS 26 2HB CYS 26 1.080 3.879 0.446
184 1HN NH2 27 1HT NH2 27 2.304 2.613 -1.097
185 2HN NH2 27 2HT NH2 27 3.977 2.842 -1.203
Start of MODEL 10
1 1H CYS 1 1H CYS 1 -8.369 7.574 0.798
2 2H CYS 1 2H CYS 1 -9.103 6.276 -0.017
3 3H CYS 1 3H CYS 1 -8.911 6.221 1.670
4 HA CYS 1 HA CYS 1 -7.265 4.826 0.639
5 1HB CYS 1 1HB CYS 1 -5.605 5.787 -0.843
6 2HB CYS 1 2HB CYS 1 -7.186 6.031 -1.519
7 H LYS 2 H LYS 2 -4.958 4.886 1.204
8 HA LYS 2 HA LYS 2 -4.488 6.675 3.556
9 1HB LYS 2 1HB LYS 2 -3.504 3.827 3.103
10 2HB LYS 2 2HB LYS 2 -3.198 4.764 4.535
11 1HG LYS 2 1HG LYS 2 -5.908 3.779 3.531
12 2HG LYS 2 2HG LYS 2 -5.039 3.175 4.916
13 1HD LYS 2 1HD LYS 2 -6.263 5.959 4.707
14 2HD LYS 2 2HD LYS 2 -6.955 4.603 5.555
15 1HE LYS 2 1HE LYS 2 -5.879 6.079 7.168
16 2HE LYS 2 2HE LYS 2 -4.981 4.573 7.095
17 1HZ LYS 2 1HZ LYS 2 -4.125 6.722 5.328
18 2HZ LYS 2 2HZ LYS 2 -3.822 6.902 6.988
19 3HZ LYS 2 3HZ LYS 2 -3.218 5.551 6.159
20 H GLY 3 H GLY 3 -2.863 7.943 3.391
21 1HA GLY 3 1HA GLY 3 -1.229 8.379 1.161
22 2HA GLY 3 2HA GLY 3 -0.828 8.932 2.777
23 H LYS 4 H LYS 4 1.197 8.357 1.128
24 HA LYS 4 HA LYS 4 2.189 5.712 1.048
25 1HB LYS 4 1HB LYS 4 3.116 7.588 -0.272
26 2HB LYS 4 2HB LYS 4 3.735 8.318 1.198
27 1HG LYS 4 1HG LYS 4 5.198 6.315 1.577
28 2HG LYS 4 2HG LYS 4 4.531 5.555 0.148
29 1HD LYS 4 1HD LYS 4 6.719 6.537 -0.365
30 2HD LYS 4 2HD LYS 4 5.472 7.378 -1.262
31 1HE LYS 4 1HE LYS 4 5.504 9.227 0.416
32 2HE LYS 4 2HE LYS 4 6.730 8.366 1.339
33 1HZ LYS 4 1HZ LYS 4 7.193 8.928 -1.500
34 2HZ LYS 4 2HZ LYS 4 7.387 10.174 -0.362
35 3HZ LYS 4 3HZ LYS 4 8.311 8.755 -0.232
36 H GLY 5 H GLY 5 3.253 4.461 2.405
37 1HA GLY 5 1HA GLY 5 4.410 3.696 4.289
38 2HA GLY 5 2HA GLY 5 4.562 5.341 4.861
39 H ALA 6 H ALA 6 1.368 4.927 4.209
40 HA ALA 6 HA ALA 6 0.745 4.534 7.068
41 1HB ALA 6 1HB ALA 6 -0.369 6.366 5.813
42 2HB ALA 6 2HB ALA 6 -1.073 5.187 4.716
43 3HB ALA 6 3HB ALA 6 -1.535 5.198 6.409
44 HA PRO 7 HA PRO 7 0.004 0.328 6.678
45 1HB PRO 7 1HB PRO 7 -2.131 -0.098 8.469
46 2HB PRO 7 2HB PRO 7 -0.428 0.002 8.882
47 1HG PRO 7 1HG PRO 7 -2.557 2.013 9.263
48 2HG PRO 7 2HG PRO 7 -1.016 1.858 10.095
49 1HD PRO 7 1HD PRO 7 -1.634 3.764 8.087
50 2HD PRO 7 2HD PRO 7 -0.010 3.380 8.688
51 H CYS 8 H CYS 8 -0.693 -0.252 4.719
52 HA CYS 8 HA CYS 8 -3.553 0.088 3.959
53 1HB CYS 8 1HB CYS 8 -2.699 -0.526 1.692
54 2HB CYS 8 2HB CYS 8 -2.117 0.945 2.339
55 H ARG 9 H ARG 9 -4.106 -1.607 2.201
56 HA ARG 9 HA ARG 9 -3.685 -4.387 3.130
57 1HB ARG 9 1HB ARG 9 -5.741 -3.305 4.104
58 2HB ARG 9 2HB ARG 9 -6.336 -3.074 2.469
59 1HG ARG 9 1HG ARG 9 -6.141 -5.571 2.146
60 2HG ARG 9 2HG ARG 9 -5.770 -5.713 3.849
61 1HD ARG 9 1HD ARG 9 -8.371 -4.568 2.710
62 2HD ARG 9 2HD ARG 9 -8.183 -6.075 3.584
63 HE ARG 9 HE ARG 9 -7.911 -4.878 5.620
64 1HH1 ARG 9 1HH1 ARG 9 -8.171 -2.744 2.877
65 2HH1 ARG 9 2HH1 ARG 9 -8.417 -1.345 3.861
66 1HH2 ARG 9 1HH2 ARG 9 -8.224 -3.106 6.860
67 2HH2 ARG 9 2HH2 ARG 9 -8.452 -1.549 6.133
68 H LYS 10 H LYS 10 -2.827 -5.306 1.420
69 HA LYS 10 HA LYS 10 -2.736 -4.386 -1.245
70 1HB LYS 10 1HB LYS 10 -2.591 -7.287 -0.310
71 2HB LYS 10 2HB LYS 10 -2.142 -6.738 -1.903
72 1HG LYS 10 1HG LYS 10 -0.149 -7.092 -0.596
73 2HG LYS 10 2HG LYS 10 -0.315 -5.385 -0.940
74 1HD LYS 10 1HD LYS 10 -1.086 -4.933 1.338
75 2HD LYS 10 2HD LYS 10 -1.146 -6.655 1.707
76 1HE LYS 10 1HE LYS 10 1.294 -6.776 1.331
77 2HE LYS 10 2HE LYS 10 1.320 -5.071 0.898
78 1HZ LYS 10 1HZ LYS 10 0.502 -6.187 3.522
79 2HZ LYS 10 2HZ LYS 10 1.987 -5.434 3.184
80 3HZ LYS 10 3HZ LYS 10 0.547 -4.538 3.114
81 H THR 11 H THR 11 -5.018 -6.346 0.401
82 HA THR 11 HA THR 11 -6.562 -7.724 -1.318
83 HB THR 11 HB THR 11 -7.648 -5.779 0.789
84 HG1 THR 11 HG1 THR 11 -7.133 -7.420 2.125
85 1HG2 THR 11 1HG2 THR 11 -8.768 -8.464 -0.244
86 2HG2 THR 11 2HG2 THR 11 -9.498 -7.449 0.990
87 3HG2 THR 11 3HG2 THR 11 -9.459 -6.908 -0.678
88 H MET 12 H MET 12 -6.641 -4.253 -0.992
89 HA MET 12 HA MET 12 -7.916 -4.024 -3.664
90 1HB MET 12 1HB MET 12 -9.591 -2.407 -2.774
91 2HB MET 12 2HB MET 12 -9.754 -3.968 -1.996
92 1HG MET 12 1HG MET 12 -8.415 -3.170 -0.066
93 2HG MET 12 2HG MET 12 -8.248 -1.612 -0.819
94 1HE MET 12 1HE MET 12 -10.642 -4.242 0.418
95 2HE MET 12 2HE MET 12 -10.186 -3.455 1.944
96 3HE MET 12 3HE MET 12 -11.837 -3.353 1.328
97 H TYR 13 H TYR 13 -5.390 -3.359 -1.906
98 HA TYR 13 HA TYR 13 -3.738 -1.718 -1.840
99 1HB TYR 13 1HB TYR 13 -5.062 -1.024 -4.532
100 2HB TYR 13 2HB TYR 13 -3.469 -0.461 -4.032
101 HD1 TYR 13 HD1 TYR 13 -1.687 -2.210 -3.485
102 HD2 TYR 13 HD2 TYR 13 -5.344 -3.239 -5.415
103 HE1 TYR 13 HE1 TYR 13 -0.708 -4.330 -4.214
104 HE2 TYR 13 HE2 TYR 13 -4.359 -5.359 -6.143
105 HH TYR 13 HH TYR 13 -1.443 -6.018 -6.458
106 H ASP 14 H ASP 14 -4.837 -1.031 -0.109
107 HA ASP 14 HA ASP 14 -6.804 1.104 -0.115
108 1HB ASP 14 1HB ASP 14 -6.839 -0.683 1.538
109 2HB ASP 14 2HB ASP 14 -5.230 -0.350 2.055
110 H CYS 15 H CYS 15 -4.059 1.421 -1.222
111 HA CYS 15 HA CYS 15 -3.098 3.786 0.316
112 1HB CYS 15 1HB CYS 15 -1.719 2.211 -1.855
113 2HB CYS 15 2HB CYS 15 -1.029 3.560 -0.989
114 H CYS 16 H CYS 16 -2.814 5.752 -0.593
115 HA CYS 16 HA CYS 16 -4.501 6.485 -2.802
116 1HB CYS 16 1HB CYS 16 -2.232 8.003 -1.467
117 2HB CYS 16 2HB CYS 16 -3.479 8.703 -2.459
118 H SER 17 H SER 17 -1.211 5.645 -2.309
119 HA SER 17 HA SER 17 -0.209 6.400 -4.940
120 1HB SER 17 1HB SER 17 1.288 6.334 -2.912
121 2HB SER 17 2HB SER 17 1.021 4.590 -2.790
122 HG SER 17 HG SER 17 1.910 4.318 -4.798
123 H GLY 18 H GLY 18 -1.739 3.700 -3.455
124 1HA GLY 18 1HA GLY 18 -2.721 1.816 -4.450
125 2HA GLY 18 2HA GLY 18 -2.032 2.291 -5.996
126 H SER 19 H SER 19 0.621 2.479 -4.380
127 HA SER 19 HA SER 19 1.457 -0.308 -4.891
128 1HB SER 19 1HB SER 19 3.777 0.711 -4.667
129 2HB SER 19 2HB SER 19 2.796 1.581 -5.856
130 HG SER 19 HG SER 19 3.016 3.244 -4.624
131 H CYS 20 H CYS 20 0.014 -0.794 -2.941
132 HA CYS 20 HA CYS 20 0.875 -0.101 -0.313
133 1HB CYS 20 1HB CYS 20 -1.352 -0.882 -0.661
134 2HB CYS 20 2HB CYS 20 -0.842 -2.404 -1.294
135 H GLY 21 H GLY 21 2.793 -0.448 0.348
136 1HA GLY 21 1HA GLY 21 4.737 -2.316 -0.278
137 2HA GLY 21 2HA GLY 21 4.625 -1.535 1.295
138 H ARG 22 H ARG 22 5.268 -4.231 0.324
139 HA ARG 22 HA ARG 22 3.326 -6.157 1.299
140 1HB ARG 22 1HB ARG 22 5.309 -6.313 -0.492
141 2HB ARG 22 2HB ARG 22 6.259 -6.773 0.897
142 1HG ARG 22 1HG ARG 22 3.789 -8.205 -0.157
143 2HG ARG 22 2HG ARG 22 5.435 -8.749 -0.328
144 1HD ARG 22 1HD ARG 22 3.867 -8.612 2.278
145 2HD ARG 22 2HD ARG 22 4.302 -10.046 1.394
146 HE ARG 22 HE ARG 22 6.105 -8.478 3.075
147 1HH1 ARG 22 1HH1 ARG 22 5.821 -10.768 0.484
148 2HH1 ARG 22 2HH1 ARG 22 7.411 -11.407 0.726
149 1HH2 ARG 22 1HH2 ARG 22 8.119 -9.271 3.396
150 2HH2 ARG 22 2HH2 ARG 22 8.732 -10.547 2.396
151 H ARG 23 H ARG 23 5.268 -4.016 2.823
152 HA ARG 23 HA ARG 23 6.177 -5.591 5.115
153 1HB ARG 23 1HB ARG 23 7.312 -3.523 4.163
154 2HB ARG 23 2HB ARG 23 5.907 -2.594 4.612
155 1HG ARG 23 1HG ARG 23 7.749 -3.970 6.589
156 2HG ARG 23 2HG ARG 23 7.843 -2.281 6.150
157 1HD ARG 23 1HD ARG 23 5.455 -2.004 7.053
158 2HD ARG 23 2HD ARG 23 5.575 -3.656 7.641
159 HE ARG 23 HE ARG 23 7.048 -2.994 9.303
160 1HH1 ARG 23 1HH1 ARG 23 6.620 -0.474 6.957
161 2HH1 ARG 23 2HH1 ARG 23 7.451 0.708 7.911
162 1HH2 ARG 23 1HH2 ARG 23 8.107 -1.510 10.522
163 2HH2 ARG 23 2HH2 ARG 23 8.306 0.114 9.955
164 H GLY 24 H GLY 24 3.614 -3.477 4.116
165 1HA GLY 24 1HA GLY 24 1.325 -4.231 5.034
166 2HA GLY 24 2HA GLY 24 2.046 -3.928 6.615
167 H LYS 25 H LYS 25 3.396 -1.812 4.461
168 HA LYS 25 HA LYS 25 1.375 0.314 5.107
169 1HB LYS 25 1HB LYS 25 3.321 1.881 5.212
170 2HB LYS 25 2HB LYS 25 3.305 0.738 6.503
171 1HG LYS 25 1HG LYS 25 5.586 1.032 5.702
172 2HG LYS 25 2HG LYS 25 5.072 -0.586 5.273
173 1HD LYS 25 1HD LYS 25 4.694 0.045 2.979
174 2HD LYS 25 2HD LYS 25 4.839 1.746 3.374
175 1HE LYS 25 1HE LYS 25 6.893 0.837 2.256
176 2HE LYS 25 2HE LYS 25 7.279 1.305 3.904
177 1HZ LYS 25 1HZ LYS 25 6.563 -1.445 3.081
178 2HZ LYS 25 2HZ LYS 25 8.155 -0.877 3.251
179 3HZ LYS 25 3HZ LYS 25 7.128 -0.946 4.603
180 H CYS 26 H CYS 26 2.018 2.353 3.667
181 HA CYS 26 HA CYS 26 1.651 1.374 0.907
182 1HB CYS 26 1HB CYS 26 1.320 4.070 2.156
183 2HB CYS 26 2HB CYS 26 0.996 3.718 0.473
184 1HN NH2 27 1HT NH2 27 2.606 2.449 -0.967
185 2HN NH2 27 2HT NH2 27 4.210 2.995 -0.904
Start of MODEL 11
1 1H CYS 1 1H CYS 1 -8.075 7.828 1.376
2 2H CYS 1 2H CYS 1 -9.047 6.610 0.700
3 3H CYS 1 3H CYS 1 -8.528 6.485 2.313
4 HA CYS 1 HA CYS 1 -7.227 5.018 0.972
5 1HB CYS 1 1HB CYS 1 -5.824 5.903 -0.822
6 2HB CYS 1 2HB CYS 1 -7.500 6.194 -1.171
7 H LYS 2 H LYS 2 -5.261 4.573 1.713
8 HA LYS 2 HA LYS 2 -4.124 6.236 3.821
9 1HB LYS 2 1HB LYS 2 -3.500 3.509 2.698
10 2HB LYS 2 2HB LYS 2 -2.478 4.231 3.905
11 1HG LYS 2 1HG LYS 2 -4.122 2.620 4.833
12 2HG LYS 2 2HG LYS 2 -4.228 4.203 5.553
13 1HD LYS 2 1HD LYS 2 -6.102 3.388 3.312
14 2HD LYS 2 2HD LYS 2 -6.392 2.947 4.978
15 1HE LYS 2 1HE LYS 2 -6.591 5.200 5.690
16 2HE LYS 2 2HE LYS 2 -6.088 5.881 4.177
17 1HZ LYS 2 1HZ LYS 2 -8.114 4.307 3.414
18 2HZ LYS 2 2HZ LYS 2 -8.622 4.778 4.966
19 3HZ LYS 2 3HZ LYS 2 -8.262 5.956 3.795
20 H GLY 3 H GLY 3 -2.564 7.515 3.721
21 1HA GLY 3 1HA GLY 3 -1.239 8.273 1.263
22 2HA GLY 3 2HA GLY 3 -0.810 8.871 2.861
23 H LYS 4 H LYS 4 1.284 8.453 1.250
24 HA LYS 4 HA LYS 4 2.393 5.903 0.989
25 1HB LYS 4 1HB LYS 4 3.736 8.578 1.431
26 2HB LYS 4 2HB LYS 4 4.566 7.142 0.868
27 1HG LYS 4 1HG LYS 4 3.022 7.010 -1.094
28 2HG LYS 4 2HG LYS 4 2.207 8.461 -0.558
29 1HD LYS 4 1HD LYS 4 5.143 8.285 -1.357
30 2HD LYS 4 2HD LYS 4 3.862 8.938 -2.355
31 1HE LYS 4 1HE LYS 4 4.761 10.092 0.330
32 2HE LYS 4 2HE LYS 4 5.091 10.766 -1.255
33 1HZ LYS 4 1HZ LYS 4 2.633 10.858 -1.577
34 2HZ LYS 4 2HZ LYS 4 2.471 10.501 0.075
35 3HZ LYS 4 3HZ LYS 4 3.263 11.922 -0.413
36 H GLY 5 H GLY 5 3.378 4.521 2.231
37 1HA GLY 5 1HA GLY 5 4.403 3.490 4.042
38 2HA GLY 5 2HA GLY 5 4.776 5.074 4.689
39 H ALA 6 H ALA 6 1.491 4.895 4.140
40 HA ALA 6 HA ALA 6 0.951 4.627 7.020
41 1HB ALA 6 1HB ALA 6 -0.123 6.435 5.733
42 2HB ALA 6 2HB ALA 6 -0.899 5.257 4.693
43 3HB ALA 6 3HB ALA 6 -1.354 5.364 6.378
44 HA PRO 7 HA PRO 7 -0.107 0.455 7.055
45 1HB PRO 7 1HB PRO 7 -2.256 0.378 8.866
46 2HB PRO 7 2HB PRO 7 -0.549 0.409 9.269
47 1HG PRO 7 1HG PRO 7 -2.531 2.594 9.420
48 2HG PRO 7 2HG PRO 7 -1.012 2.408 10.284
49 1HD PRO 7 1HD PRO 7 -1.467 4.139 8.096
50 2HD PRO 7 2HD PRO 7 0.120 3.684 8.739
51 H CYS 8 H CYS 8 -0.764 0.190 4.947
52 HA CYS 8 HA CYS 8 -3.664 0.196 4.340
53 1HB CYS 8 1HB CYS 8 -2.811 -0.162 1.986
54 2HB CYS 8 2HB CYS 8 -2.537 1.384 2.664
55 H ARG 9 H ARG 9 -4.389 -1.250 2.848
56 HA ARG 9 HA ARG 9 -3.637 -4.105 3.260
57 1HB ARG 9 1HB ARG 9 -5.776 -3.350 4.317
58 2HB ARG 9 2HB ARG 9 -6.342 -2.737 2.773
59 1HG ARG 9 1HG ARG 9 -6.265 -5.021 1.841
60 2HG ARG 9 2HG ARG 9 -5.735 -5.663 3.387
61 1HD ARG 9 1HD ARG 9 -8.403 -4.263 2.818
62 2HD ARG 9 2HD ARG 9 -8.170 -5.969 3.145
63 HE ARG 9 HE ARG 9 -7.777 -5.495 5.439
64 1HH1 ARG 9 1HH1 ARG 9 -8.209 -2.592 3.568
65 2HH1 ARG 9 2HH1 ARG 9 -8.421 -1.602 4.970
66 1HH2 ARG 9 1HH2 ARG 9 -8.041 -4.247 7.205
67 2HH2 ARG 9 2HH2 ARG 9 -8.325 -2.545 7.051
68 H LYS 10 H LYS 10 -2.287 -4.078 1.657
69 HA LYS 10 HA LYS 10 -2.473 -3.072 -0.959
70 1HB LYS 10 1HB LYS 10 -0.667 -4.704 -1.423
71 2HB LYS 10 2HB LYS 10 -0.404 -3.953 0.144
72 1HG LYS 10 1HG LYS 10 -1.630 -5.906 1.231
73 2HG LYS 10 2HG LYS 10 -1.689 -6.688 -0.335
74 1HD LYS 10 1HD LYS 10 0.760 -5.970 1.244
75 2HD LYS 10 2HD LYS 10 0.113 -7.572 0.952
76 1HE LYS 10 1HE LYS 10 1.214 -5.715 -1.189
77 2HE LYS 10 2HE LYS 10 2.005 -7.151 -0.559
78 1HZ LYS 10 1HZ LYS 10 0.056 -8.440 -1.327
79 2HZ LYS 10 2HZ LYS 10 -0.519 -7.038 -2.092
80 3HZ LYS 10 3HZ LYS 10 0.954 -7.726 -2.582
81 H THR 11 H THR 11 -3.863 -5.801 0.441
82 HA THR 11 HA THR 11 -4.438 -7.608 -1.558
83 HB THR 11 HB THR 11 -6.303 -6.570 0.636
84 HG1 THR 11 HG1 THR 11 -4.196 -8.471 0.486
85 1HG2 THR 11 1HG2 THR 11 -6.017 -9.391 -0.605
86 2HG2 THR 11 2HG2 THR 11 -7.162 -8.938 0.647
87 3HG2 THR 11 3HG2 THR 11 -7.356 -8.325 -0.982
88 H MET 12 H MET 12 -6.083 -4.725 -0.720
89 HA MET 12 HA MET 12 -7.646 -4.633 -3.274
90 1HB MET 12 1HB MET 12 -8.185 -3.394 -0.551
91 2HB MET 12 2HB MET 12 -9.149 -3.054 -1.972
92 1HG MET 12 1HG MET 12 -8.766 -5.811 -0.785
93 2HG MET 12 2HG MET 12 -10.113 -4.764 -0.464
94 1HE MET 12 1HE MET 12 -8.533 -7.346 -2.358
95 2HE MET 12 2HE MET 12 -9.715 -7.884 -3.518
96 3HE MET 12 3HE MET 12 -8.546 -6.638 -3.982
97 H TYR 13 H TYR 13 -4.937 -3.390 -1.963
98 HA TYR 13 HA TYR 13 -3.618 -1.502 -2.331
99 1HB TYR 13 1HB TYR 13 -5.437 -1.328 -4.801
100 2HB TYR 13 2HB TYR 13 -3.885 -0.508 -4.639
101 HD1 TYR 13 HD1 TYR 13 -1.815 -1.962 -4.188
102 HD2 TYR 13 HD2 TYR 13 -5.524 -3.620 -5.467
103 HE1 TYR 13 HE1 TYR 13 -0.661 -4.009 -4.878
104 HE2 TYR 13 HE2 TYR 13 -4.368 -5.666 -6.155
105 HH TYR 13 HH TYR 13 -1.702 -6.111 -6.903
106 H ASP 14 H ASP 14 -4.803 -1.047 -0.494
107 HA ASP 14 HA ASP 14 -6.964 0.872 -0.388
108 1HB ASP 14 1HB ASP 14 -6.843 -0.912 1.171
109 2HB ASP 14 2HB ASP 14 -5.208 -0.620 1.565
110 H CYS 15 H CYS 15 -4.015 1.452 -1.334
111 HA CYS 15 HA CYS 15 -3.556 3.919 0.294
112 1HB CYS 15 1HB CYS 15 -1.786 2.582 -1.714
113 2HB CYS 15 2HB CYS 15 -1.354 3.973 -0.752
114 H CYS 16 H CYS 16 -3.093 5.875 -0.627
115 HA CYS 16 HA CYS 16 -4.750 6.670 -2.816
116 1HB CYS 16 1HB CYS 16 -2.403 8.091 -1.505
117 2HB CYS 16 2HB CYS 16 -3.631 8.860 -2.461
118 H SER 17 H SER 17 -1.508 5.693 -2.339
119 HA SER 17 HA SER 17 -0.457 6.392 -4.967
120 1HB SER 17 1HB SER 17 0.982 6.309 -2.887
121 2HB SER 17 2HB SER 17 0.692 4.570 -2.786
122 HG SER 17 HG SER 17 1.545 4.343 -4.861
123 H GLY 18 H GLY 18 -2.005 3.733 -3.408
124 1HA GLY 18 1HA GLY 18 -2.924 1.767 -4.238
125 2HA GLY 18 2HA GLY 18 -2.566 2.342 -5.861
126 H SER 19 H SER 19 0.182 2.345 -3.962
127 HA SER 19 HA SER 19 1.079 -0.326 -4.984
128 1HB SER 19 1HB SER 19 3.372 0.753 -5.149
129 2HB SER 19 2HB SER 19 2.192 1.615 -6.148
130 HG SER 19 HG SER 19 3.153 2.271 -3.577
131 H CYS 20 H CYS 20 -0.137 -0.604 -2.780
132 HA CYS 20 HA CYS 20 1.401 -0.039 -0.391
133 1HB CYS 20 1HB CYS 20 -1.030 -0.233 -0.360
134 2HB CYS 20 2HB CYS 20 -0.943 -1.869 -0.881
135 H GLY 21 H GLY 21 3.011 -1.053 0.357
136 1HA GLY 21 1HA GLY 21 4.226 -3.363 -0.798
137 2HA GLY 21 2HA GLY 21 4.728 -2.569 0.683
138 H ARG 22 H ARG 22 5.020 -5.096 0.489
139 HA ARG 22 HA ARG 22 2.902 -6.803 1.476
140 1HB ARG 22 1HB ARG 22 4.839 -7.617 0.120
141 2HB ARG 22 2HB ARG 22 5.926 -7.204 1.430
142 1HG ARG 22 1HG ARG 22 4.788 -8.858 2.910
143 2HG ARG 22 2HG ARG 22 3.662 -9.240 1.620
144 1HD ARG 22 1HD ARG 22 5.612 -10.006 0.208
145 2HD ARG 22 2HD ARG 22 6.692 -9.628 1.543
146 HE ARG 22 HE ARG 22 5.989 -11.576 2.635
147 1HH1 ARG 22 1HH1 ARG 22 3.798 -10.768 0.071
148 2HH1 ARG 22 2HH1 ARG 22 2.917 -12.252 0.206
149 1HH2 ARG 22 1HH2 ARG 22 4.885 -13.459 2.823
150 2HH2 ARG 22 2HH2 ARG 22 3.538 -13.797 1.785
151 H ARG 23 H ARG 23 5.052 -4.609 2.868
152 HA ARG 23 HA ARG 23 5.114 -5.740 5.559
153 1HB ARG 23 1HB ARG 23 6.242 -3.571 6.117
154 2HB ARG 23 2HB ARG 23 6.981 -4.350 4.731
155 1HG ARG 23 1HG ARG 23 5.672 -2.873 3.193
156 2HG ARG 23 2HG ARG 23 4.914 -2.109 4.575
157 1HD ARG 23 1HD ARG 23 7.129 -1.307 5.355
158 2HD ARG 23 2HD ARG 23 7.905 -2.086 3.972
159 HE ARG 23 HE ARG 23 5.961 -0.506 2.814
160 1HH1 ARG 23 1HH1 ARG 23 8.548 0.053 5.055
161 2HH1 ARG 23 2HH1 ARG 23 8.782 1.691 4.545
162 1HH2 ARG 23 1HH2 ARG 23 6.239 1.557 2.156
163 2HH2 ARG 23 2HH2 ARG 23 7.457 2.556 2.876
164 H GLY 24 H GLY 24 2.685 -4.538 3.819
165 1HA GLY 24 1HA GLY 24 0.528 -3.902 4.406
166 2HA GLY 24 2HA GLY 24 1.000 -3.965 6.100
167 H LYS 25 H LYS 25 2.970 -2.066 4.032
168 HA LYS 25 HA LYS 25 1.648 0.451 5.038
169 1HB LYS 25 1HB LYS 25 4.584 0.082 4.369
170 2HB LYS 25 2HB LYS 25 3.857 1.508 5.043
171 1HG LYS 25 1HG LYS 25 3.973 -1.161 6.495
172 2HG LYS 25 2HG LYS 25 5.048 0.189 6.781
173 1HD LYS 25 1HD LYS 25 3.140 1.605 7.469
174 2HD LYS 25 2HD LYS 25 2.015 0.310 7.125
175 1HE LYS 25 1HE LYS 25 2.514 0.398 9.544
176 2HE LYS 25 2HE LYS 25 3.133 -1.100 8.864
177 1HZ LYS 25 1HZ LYS 25 4.808 1.317 9.136
178 2HZ LYS 25 2HZ LYS 25 4.656 0.169 10.378
179 3HZ LYS 25 3HZ LYS 25 5.305 -0.285 8.874
180 H CYS 26 H CYS 26 1.934 2.279 3.620
181 HA CYS 26 HA CYS 26 1.435 1.500 0.849
182 1HB CYS 26 1HB CYS 26 1.477 4.159 2.206
183 2HB CYS 26 2HB CYS 26 1.021 3.929 0.539
184 1HN NH2 27 1HT NH2 27 2.451 2.614 -1.013
185 2HN NH2 27 2HT NH2 27 4.112 2.944 -0.975
Start of MODEL 12
1 1H CYS 1 1H CYS 1 -8.271 7.647 1.365
2 2H CYS 1 2H CYS 1 -9.149 6.436 0.557
3 3H CYS 1 3H CYS 1 -8.750 6.247 2.199
4 HA CYS 1 HA CYS 1 -7.315 4.889 0.854
5 1HB CYS 1 1HB CYS 1 -5.799 5.937 -0.736
6 2HB CYS 1 2HB CYS 1 -7.445 6.258 -1.187
7 H LYS 2 H LYS 2 -4.927 4.836 1.165
8 HA LYS 2 HA LYS 2 -4.153 6.367 3.621
9 1HB LYS 2 1HB LYS 2 -3.274 3.592 2.718
10 2HB LYS 2 2HB LYS 2 -2.772 4.372 4.199
11 1HG LYS 2 1HG LYS 2 -5.625 3.573 3.512
12 2HG LYS 2 2HG LYS 2 -4.556 2.745 4.624
13 1HD LYS 2 1HD LYS 2 -4.499 4.762 6.083
14 2HD LYS 2 2HD LYS 2 -5.570 5.603 4.972
15 1HE LYS 2 1HE LYS 2 -7.316 3.873 5.319
16 2HE LYS 2 2HE LYS 2 -6.261 3.040 6.455
17 1HZ LYS 2 1HZ LYS 2 -7.048 5.867 6.783
18 2HZ LYS 2 2HZ LYS 2 -7.945 4.579 7.432
19 3HZ LYS 2 3HZ LYS 2 -6.343 4.836 7.934
20 H GLY 3 H GLY 3 -2.662 7.807 3.328
21 1HA GLY 3 1HA GLY 3 -1.147 8.269 0.982
22 2HA GLY 3 2HA GLY 3 -0.758 8.939 2.562
23 H LYS 4 H LYS 4 1.323 8.323 0.907
24 HA LYS 4 HA LYS 4 2.410 5.786 0.868
25 1HB LYS 4 1HB LYS 4 4.584 6.930 0.667
26 2HB LYS 4 2HB LYS 4 3.348 7.657 -0.328
27 1HG LYS 4 1HG LYS 4 3.031 9.458 1.378
28 2HG LYS 4 2HG LYS 4 4.292 8.739 2.368
29 1HD LYS 4 1HD LYS 4 5.919 9.022 0.512
30 2HD LYS 4 2HD LYS 4 4.665 9.750 -0.475
31 1HE LYS 4 1HE LYS 4 4.403 11.581 1.197
32 2HE LYS 4 2HE LYS 4 5.655 10.852 2.195
33 1HZ LYS 4 1HZ LYS 4 6.048 11.757 -0.595
34 2HZ LYS 4 2HZ LYS 4 6.457 12.657 0.787
35 3HZ LYS 4 3HZ LYS 4 7.241 11.185 0.469
36 H GLY 5 H GLY 5 3.370 4.448 2.169
37 1HA GLY 5 1HA GLY 5 4.378 3.474 4.017
38 2HA GLY 5 2HA GLY 5 4.724 5.076 4.636
39 H ALA 6 H ALA 6 1.479 4.943 4.051
40 HA ALA 6 HA ALA 6 0.846 4.719 6.906
41 1HB ALA 6 1HB ALA 6 -0.235 6.451 5.507
42 2HB ALA 6 2HB ALA 6 -0.946 5.198 4.504
43 3HB ALA 6 3HB ALA 6 -1.454 5.378 6.167
44 HA PRO 7 HA PRO 7 -0.203 0.535 7.028
45 1HB PRO 7 1HB PRO 7 -2.385 0.483 8.780
46 2HB PRO 7 2HB PRO 7 -0.693 0.584 9.235
47 1HG PRO 7 1HG PRO 7 -2.742 2.723 9.204
48 2HG PRO 7 2HG PRO 7 -1.276 2.602 10.166
49 1HD PRO 7 1HD PRO 7 -1.623 4.245 7.898
50 2HD PRO 7 2HD PRO 7 -0.064 3.827 8.634
51 H CYS 8 H CYS 8 -0.794 0.232 4.926
52 HA CYS 8 HA CYS 8 -3.663 0.227 4.189
53 1HB CYS 8 1HB CYS 8 -2.696 -0.195 1.891
54 2HB CYS 8 2HB CYS 8 -2.424 1.353 2.570
55 H ARG 9 H ARG 9 -4.004 -1.440 2.427
56 HA ARG 9 HA ARG 9 -3.116 -4.167 3.168
57 1HB ARG 9 1HB ARG 9 -5.317 -3.474 4.219
58 2HB ARG 9 2HB ARG 9 -5.958 -3.244 2.602
59 1HG ARG 9 1HG ARG 9 -5.376 -5.660 2.131
60 2HG ARG 9 2HG ARG 9 -4.963 -5.841 3.820
61 1HD ARG 9 1HD ARG 9 -7.726 -5.051 2.771
62 2HD ARG 9 2HD ARG 9 -7.289 -6.571 3.530
63 HE ARG 9 HE ARG 9 -7.172 -5.502 5.648
64 1HH1 ARG 9 1HH1 ARG 9 -7.810 -3.237 3.081
65 2HH1 ARG 9 2HH1 ARG 9 -8.256 -1.971 4.169
66 1HH2 ARG 9 1HH2 ARG 9 -7.735 -3.904 7.022
67 2HH2 ARG 9 2HH2 ARG 9 -8.216 -2.350 6.424
68 H LYS 10 H LYS 10 -1.927 -4.423 1.366
69 HA LYS 10 HA LYS 10 -2.357 -3.351 -1.214
70 1HB LYS 10 1HB LYS 10 -0.697 -4.963 -1.999
71 2HB LYS 10 2HB LYS 10 -0.226 -4.388 -0.419
72 1HG LYS 10 1HG LYS 10 -1.548 -7.071 -0.952
73 2HG LYS 10 2HG LYS 10 0.158 -6.813 -0.672
74 1HD LYS 10 1HD LYS 10 -0.379 -5.934 1.632
75 2HD LYS 10 2HD LYS 10 -2.072 -6.322 1.348
76 1HE LYS 10 1HE LYS 10 -1.539 -8.690 1.006
77 2HE LYS 10 2HE LYS 10 0.169 -8.357 1.274
78 1HZ LYS 10 1HZ LYS 10 -1.983 -7.819 3.236
79 2HZ LYS 10 2HZ LYS 10 -0.969 -9.182 3.247
80 3HZ LYS 10 3HZ LYS 10 -0.312 -7.633 3.481
81 H THR 11 H THR 11 -3.922 -5.884 0.358
82 HA THR 11 HA THR 11 -4.798 -7.700 -1.518
83 HB THR 11 HB THR 11 -6.489 -6.333 0.640
84 HG1 THR 11 HG1 THR 11 -4.694 -8.545 0.547
85 1HG2 THR 11 1HG2 THR 11 -6.642 -9.186 -0.540
86 2HG2 THR 11 2HG2 THR 11 -7.693 -8.542 0.712
87 3HG2 THR 11 3HG2 THR 11 -7.802 -7.925 -0.926
88 H MET 12 H MET 12 -6.112 -4.568 -0.823
89 HA MET 12 HA MET 12 -7.530 -4.477 -3.455
90 1HB MET 12 1HB MET 12 -9.260 -3.077 -2.299
91 2HB MET 12 2HB MET 12 -9.147 -4.672 -1.583
92 1HG MET 12 1HG MET 12 -7.685 -3.784 0.203
93 2HG MET 12 2HG MET 12 -7.736 -2.196 -0.506
94 1HE MET 12 1HE MET 12 -10.023 -0.861 -0.820
95 2HE MET 12 2HE MET 12 -10.766 -0.546 0.735
96 3HE MET 12 3HE MET 12 -9.026 -0.385 0.574
97 H TYR 13 H TYR 13 -4.928 -3.401 -1.940
98 HA TYR 13 HA TYR 13 -3.561 -1.516 -2.035
99 1HB TYR 13 1HB TYR 13 -5.171 -1.129 -4.623
100 2HB TYR 13 2HB TYR 13 -3.661 -0.302 -4.257
101 HD1 TYR 13 HD1 TYR 13 -1.595 -1.760 -3.752
102 HD2 TYR 13 HD2 TYR 13 -5.131 -3.339 -5.525
103 HE1 TYR 13 HE1 TYR 13 -0.336 -3.704 -4.532
104 HE2 TYR 13 HE2 TYR 13 -3.867 -5.285 -6.305
105 HH TYR 13 HH TYR 13 -0.959 -5.519 -6.781
106 H ASP 14 H ASP 14 -4.762 -1.028 -0.226
107 HA ASP 14 HA ASP 14 -6.925 0.913 -0.220
108 1HB ASP 14 1HB ASP 14 -6.840 -0.867 1.393
109 2HB ASP 14 2HB ASP 14 -5.254 -0.491 1.911
110 H CYS 15 H CYS 15 -4.101 1.472 -1.228
111 HA CYS 15 HA CYS 15 -3.450 3.884 0.392
112 1HB CYS 15 1HB CYS 15 -1.853 2.529 -1.760
113 2HB CYS 15 2HB CYS 15 -1.322 3.891 -0.804
114 H CYS 16 H CYS 16 -2.996 5.854 -0.504
115 HA CYS 16 HA CYS 16 -4.721 6.713 -2.648
116 1HB CYS 16 1HB CYS 16 -2.402 8.144 -1.294
117 2HB CYS 16 2HB CYS 16 -3.683 8.895 -2.201
118 H SER 17 H SER 17 -1.419 5.876 -2.154
119 HA SER 17 HA SER 17 -0.342 6.701 -4.704
120 1HB SER 17 1HB SER 17 1.094 6.370 -2.662
121 2HB SER 17 2HB SER 17 0.709 4.644 -2.681
122 HG SER 17 HG SER 17 1.597 4.502 -4.733
123 H GLY 18 H GLY 18 -2.157 4.046 -3.547
124 1HA GLY 18 1HA GLY 18 -3.210 2.328 -4.728
125 2HA GLY 18 2HA GLY 18 -2.397 2.867 -6.198
126 H SER 19 H SER 19 -0.020 2.634 -4.049
127 HA SER 19 HA SER 19 0.593 -0.233 -4.636
128 1HB SER 19 1HB SER 19 3.010 0.521 -4.705
129 2HB SER 19 2HB SER 19 2.042 1.346 -5.935
130 HG SER 19 HG SER 19 1.690 2.998 -4.302
131 H CYS 20 H CYS 20 0.731 -1.434 -2.903
132 HA CYS 20 HA CYS 20 1.619 -0.247 -0.317
133 1HB CYS 20 1HB CYS 20 -0.829 -0.432 -0.315
134 2HB CYS 20 2HB CYS 20 -0.762 -2.097 -0.752
135 H GLY 21 H GLY 21 3.232 -1.287 0.492
136 1HA GLY 21 1HA GLY 21 4.427 -3.608 -0.647
137 2HA GLY 21 2HA GLY 21 4.895 -2.853 0.864
138 H ARG 22 H ARG 22 5.231 -5.323 0.835
139 HA ARG 22 HA ARG 22 2.998 -7.004 1.670
140 1HB ARG 22 1HB ARG 22 6.011 -7.478 1.875
141 2HB ARG 22 2HB ARG 22 4.779 -8.710 2.051
142 1HG ARG 22 1HG ARG 22 5.317 -7.101 -0.488
143 2HG ARG 22 2HG ARG 22 5.793 -8.760 -0.213
144 1HD ARG 22 1HD ARG 22 3.379 -9.427 -0.030
145 2HD ARG 22 2HD ARG 22 2.909 -7.756 -0.314
146 HE ARG 22 HE ARG 22 3.408 -8.004 -2.578
147 1HH1 ARG 22 1HH1 ARG 22 4.746 -10.637 -0.758
148 2HH1 ARG 22 2HH1 ARG 22 5.186 -11.532 -2.172
149 1HH2 ARG 22 1HH2 ARG 22 3.960 -9.121 -4.372
150 2HH2 ARG 22 2HH2 ARG 22 4.737 -10.664 -4.247
151 H ARG 23 H ARG 23 4.986 -4.748 3.142
152 HA ARG 23 HA ARG 23 4.948 -5.824 5.860
153 1HB ARG 23 1HB ARG 23 6.769 -4.314 5.009
154 2HB ARG 23 2HB ARG 23 5.592 -3.035 4.786
155 1HG ARG 23 1HG ARG 23 5.139 -3.038 7.261
156 2HG ARG 23 2HG ARG 23 6.328 -4.314 7.457
157 1HD ARG 23 1HD ARG 23 8.096 -2.802 6.575
158 2HD ARG 23 2HD ARG 23 6.887 -1.543 6.319
159 HE ARG 23 HE ARG 23 6.962 -2.548 9.060
160 1HH1 ARG 23 1HH1 ARG 23 8.289 -0.291 6.781
161 2HH1 ARG 23 2HH1 ARG 23 8.809 0.810 8.010
162 1HH2 ARG 23 1HH2 ARG 23 7.618 -1.164 10.626
163 2HH2 ARG 23 2HH2 ARG 23 8.428 0.311 10.216
164 H GLY 24 H GLY 24 2.820 -4.253 3.780
165 1HA GLY 24 1HA GLY 24 0.532 -3.799 4.154
166 2HA GLY 24 2HA GLY 24 0.802 -3.893 5.896
167 H LYS 25 H LYS 25 2.959 -2.038 3.947
168 HA LYS 25 HA LYS 25 1.754 0.520 4.980
169 1HB LYS 25 1HB LYS 25 4.644 0.087 4.156
170 2HB LYS 25 2HB LYS 25 3.977 1.477 4.955
171 1HG LYS 25 1HG LYS 25 4.100 -1.269 6.242
172 2HG LYS 25 2HG LYS 25 5.221 0.040 6.550
173 1HD LYS 25 1HD LYS 25 3.385 1.454 7.425
174 2HD LYS 25 2HD LYS 25 2.212 0.200 7.076
175 1HE LYS 25 1HE LYS 25 2.870 0.142 9.462
176 2HE LYS 25 2HE LYS 25 3.372 -1.336 8.656
177 1HZ LYS 25 1HZ LYS 25 5.389 0.644 8.461
178 2HZ LYS 25 2HZ LYS 25 4.942 0.403 10.082
179 3HZ LYS 25 3HZ LYS 25 5.460 -0.911 9.137
180 H CYS 26 H CYS 26 1.970 2.318 3.554
181 HA CYS 26 HA CYS 26 1.449 1.555 0.771
182 1HB CYS 26 1HB CYS 26 1.362 4.167 2.200
183 2HB CYS 26 2HB CYS 26 0.910 3.981 0.521
184 1HN NH2 27 1HT NH2 27 2.226 3.151 -0.984
185 2HN NH2 27 2HT NH2 27 3.890 3.423 -1.069
Start of MODEL 13
1 1H CYS 1 1H CYS 1 -8.464 7.546 0.986
2 2H CYS 1 2H CYS 1 -9.198 6.120 0.426
3 3H CYS 1 3H CYS 1 -8.710 6.245 2.048
4 HA CYS 1 HA CYS 1 -7.119 4.901 0.882
5 1HB CYS 1 1HB CYS 1 -5.905 5.771 -1.014
6 2HB CYS 1 2HB CYS 1 -7.602 5.898 -1.363
7 H LYS 2 H LYS 2 -4.950 4.971 1.397
8 HA LYS 2 HA LYS 2 -4.204 7.278 3.183
9 1HB LYS 2 1HB LYS 2 -3.462 4.429 3.479
10 2HB LYS 2 2HB LYS 2 -2.958 5.790 4.482
11 1HG LYS 2 1HG LYS 2 -5.520 6.330 4.700
12 2HG LYS 2 2HG LYS 2 -5.765 4.693 4.113
13 1HD LYS 2 1HD LYS 2 -4.069 5.529 6.388
14 2HD LYS 2 2HD LYS 2 -5.680 4.859 6.617
15 1HE LYS 2 1HE LYS 2 -4.900 2.701 5.553
16 2HE LYS 2 2HE LYS 2 -3.269 3.352 5.458
17 1HZ LYS 2 1HZ LYS 2 -4.052 3.767 8.047
18 2HZ LYS 2 2HZ LYS 2 -4.620 2.213 7.665
19 3HZ LYS 2 3HZ LYS 2 -2.977 2.586 7.473
20 H GLY 3 H GLY 3 -2.451 8.261 2.898
21 1HA GLY 3 1HA GLY 3 -0.743 8.098 0.619
22 2HA GLY 3 2HA GLY 3 -0.392 9.036 2.063
23 H LYS 4 H LYS 4 1.657 7.958 0.751
24 HA LYS 4 HA LYS 4 2.632 5.451 1.109
25 1HB LYS 4 1HB LYS 4 4.836 6.381 0.937
26 2HB LYS 4 2HB LYS 4 3.747 7.235 -0.113
27 1HG LYS 4 1HG LYS 4 4.753 8.265 2.568
28 2HG LYS 4 2HG LYS 4 5.326 8.766 0.998
29 1HD LYS 4 1HD LYS 4 3.016 9.654 0.474
30 2HD LYS 4 2HD LYS 4 2.522 9.233 2.108
31 1HE LYS 4 1HE LYS 4 3.153 11.597 2.021
32 2HE LYS 4 2HE LYS 4 4.244 10.701 3.069
33 1HZ LYS 4 1HZ LYS 4 4.906 11.077 0.230
34 2HZ LYS 4 2HZ LYS 4 5.194 12.324 1.348
35 3HZ LYS 4 3HZ LYS 4 5.941 10.813 1.550
36 H GLY 5 H GLY 5 3.498 4.208 2.546
37 1HA GLY 5 1HA GLY 5 4.400 3.351 4.496
38 2HA GLY 5 2HA GLY 5 4.626 4.977 5.094
39 H ALA 6 H ALA 6 1.452 4.760 4.269
40 HA ALA 6 HA ALA 6 0.630 4.571 7.064
41 1HB ALA 6 1HB ALA 6 -0.444 6.168 5.540
42 2HB ALA 6 2HB ALA 6 -1.011 4.839 4.536
43 3HB ALA 6 3HB ALA 6 -1.634 5.039 6.168
44 HA PRO 7 HA PRO 7 -0.161 0.254 7.191
45 1HB PRO 7 1HB PRO 7 -2.313 0.222 9.033
46 2HB PRO 7 2HB PRO 7 -0.599 0.196 9.403
47 1HG PRO 7 1HG PRO 7 -2.506 2.423 9.642
48 2HG PRO 7 2HG PRO 7 -0.936 2.219 10.402
49 1HD PRO 7 1HD PRO 7 -1.527 3.940 8.217
50 2HD PRO 7 2HD PRO 7 0.087 3.513 8.813
51 H CYS 8 H CYS 8 -0.855 0.261 5.013
52 HA CYS 8 HA CYS 8 -3.731 0.216 4.395
53 1HB CYS 8 1HB CYS 8 -2.870 -0.081 2.048
54 2HB CYS 8 2HB CYS 8 -2.386 1.375 2.810
55 H ARG 9 H ARG 9 -3.957 -1.437 2.446
56 HA ARG 9 HA ARG 9 -3.230 -4.190 3.260
57 1HB ARG 9 1HB ARG 9 -6.039 -3.240 2.473
58 2HB ARG 9 2HB ARG 9 -5.589 -4.890 2.867
59 1HG ARG 9 1HG ARG 9 -5.033 -4.205 5.181
60 2HG ARG 9 2HG ARG 9 -5.427 -2.540 4.804
61 1HD ARG 9 1HD ARG 9 -7.377 -4.889 4.710
62 2HD ARG 9 2HD ARG 9 -7.345 -3.633 5.940
63 HE ARG 9 HE ARG 9 -8.538 -3.417 3.323
64 1HH1 ARG 9 1HH1 ARG 9 -6.859 -1.608 5.765
65 2HH1 ARG 9 2HH1 ARG 9 -7.555 -0.101 5.273
66 1HH2 ARG 9 1HH2 ARG 9 -9.425 -1.533 2.700
67 2HH2 ARG 9 2HH2 ARG 9 -9.035 -0.057 3.518
68 H LYS 10 H LYS 10 -1.894 -4.441 1.539
69 HA LYS 10 HA LYS 10 -2.247 -3.350 -1.071
70 1HB LYS 10 1HB LYS 10 -0.512 -4.941 -1.787
71 2HB LYS 10 2HB LYS 10 -0.090 -4.302 -0.220
72 1HG LYS 10 1HG LYS 10 -1.288 -7.049 -0.702
73 2HG LYS 10 2HG LYS 10 0.398 -6.702 -0.392
74 1HD LYS 10 1HD LYS 10 -0.272 -5.756 1.874
75 2HD LYS 10 2HD LYS 10 -1.915 -6.295 1.551
76 1HE LYS 10 1HE LYS 10 -0.784 -7.978 2.898
77 2HE LYS 10 2HE LYS 10 -1.158 -8.627 1.308
78 1HZ LYS 10 1HZ LYS 10 1.465 -7.549 2.168
79 2HZ LYS 10 2HZ LYS 10 1.069 -9.189 1.987
80 3HZ LYS 10 3HZ LYS 10 1.112 -8.171 0.629
81 H THR 11 H THR 11 -3.710 -5.849 0.550
82 HA THR 11 HA THR 11 -4.592 -7.780 -1.170
83 HB THR 11 HB THR 11 -6.162 -6.270 0.993
84 HG1 THR 11 HG1 THR 11 -4.133 -7.120 1.559
85 1HG2 THR 11 1HG2 THR 11 -6.394 -9.197 0.010
86 2HG2 THR 11 2HG2 THR 11 -7.366 -8.465 1.277
87 3HG2 THR 11 3HG2 THR 11 -7.579 -7.965 -0.392
88 H MET 12 H MET 12 -5.902 -4.620 -0.677
89 HA MET 12 HA MET 12 -7.306 -4.644 -3.307
90 1HB MET 12 1HB MET 12 -9.167 -3.379 -2.208
91 2HB MET 12 2HB MET 12 -8.955 -4.959 -1.481
92 1HG MET 12 1HG MET 12 -7.629 -3.971 0.352
93 2HG MET 12 2HG MET 12 -7.785 -2.389 -0.351
94 1HE MET 12 1HE MET 12 -10.273 -1.302 -0.774
95 2HE MET 12 2HE MET 12 -10.997 -1.017 0.797
96 3HE MET 12 3HE MET 12 -9.285 -0.704 0.581
97 H TYR 13 H TYR 13 -4.799 -3.471 -1.782
98 HA TYR 13 HA TYR 13 -3.521 -1.527 -1.808
99 1HB TYR 13 1HB TYR 13 -5.073 -1.189 -4.436
100 2HB TYR 13 2HB TYR 13 -3.593 -0.326 -4.028
101 HD1 TYR 13 HD1 TYR 13 -1.521 -1.743 -3.419
102 HD2 TYR 13 HD2 TYR 13 -4.940 -3.392 -5.351
103 HE1 TYR 13 HE1 TYR 13 -0.184 -3.657 -4.150
104 HE2 TYR 13 HE2 TYR 13 -3.600 -5.306 -6.082
105 HH TYR 13 HH TYR 13 -0.559 -5.422 -6.359
106 H ASP 14 H ASP 14 -4.708 -0.966 -0.011
107 HA ASP 14 HA ASP 14 -6.901 0.943 -0.076
108 1HB ASP 14 1HB ASP 14 -6.814 -0.750 1.617
109 2HB ASP 14 2HB ASP 14 -5.220 -0.350 2.122
110 H CYS 15 H CYS 15 -4.070 1.506 -1.091
111 HA CYS 15 HA CYS 15 -3.527 4.039 0.402
112 1HB CYS 15 1HB CYS 15 -1.779 2.563 -1.554
113 2HB CYS 15 2HB CYS 15 -1.324 3.978 -0.638
114 H CYS 16 H CYS 16 -3.189 5.985 -0.663
115 HA CYS 16 HA CYS 16 -4.846 6.478 -2.959
116 1HB CYS 16 1HB CYS 16 -2.664 8.188 -1.714
117 2HB CYS 16 2HB CYS 16 -3.921 8.750 -2.779
118 H SER 17 H SER 17 -1.520 5.841 -2.350
119 HA SER 17 HA SER 17 -0.452 6.490 -4.954
120 1HB SER 17 1HB SER 17 0.972 6.341 -2.863
121 2HB SER 17 2HB SER 17 0.654 4.602 -2.800
122 HG SER 17 HG SER 17 1.521 4.425 -4.886
123 H GLY 18 H GLY 18 -2.010 3.791 -3.476
124 1HA GLY 18 1HA GLY 18 -2.996 1.896 -4.417
125 2HA GLY 18 2HA GLY 18 -2.477 2.449 -6.005
126 H SER 19 H SER 19 0.231 2.535 -4.226
127 HA SER 19 HA SER 19 1.082 -0.203 -5.053
128 1HB SER 19 1HB SER 19 3.396 0.833 -5.084
129 2HB SER 19 2HB SER 19 2.285 1.706 -6.150
130 HG SER 19 HG SER 19 3.124 2.363 -3.539
131 H CYS 20 H CYS 20 -0.291 -0.348 -2.837
132 HA CYS 20 HA CYS 20 1.145 0.162 -0.412
133 1HB CYS 20 1HB CYS 20 -1.243 -0.141 -0.363
134 2HB CYS 20 2HB CYS 20 -1.149 -1.713 -1.041
135 H GLY 21 H GLY 21 2.844 -0.745 0.289
136 1HA GLY 21 1HA GLY 21 4.225 -2.939 -0.838
137 2HA GLY 21 2HA GLY 21 4.577 -2.212 0.720
138 H ARG 22 H ARG 22 4.982 -4.773 0.310
139 HA ARG 22 HA ARG 22 2.846 -6.544 1.123
140 1HB ARG 22 1HB ARG 22 4.653 -8.246 1.244
141 2HB ARG 22 2HB ARG 22 4.729 -7.320 -0.242
142 1HG ARG 22 1HG ARG 22 6.528 -5.875 0.756
143 2HG ARG 22 2HG ARG 22 6.444 -6.803 2.239
144 1HD ARG 22 1HD ARG 22 8.329 -7.557 0.848
145 2HD ARG 22 2HD ARG 22 7.158 -8.853 0.999
146 HE ARG 22 HE ARG 22 7.689 -7.218 -1.425
147 1HH1 ARG 22 1HH1 ARG 22 5.860 -9.757 0.102
148 2HH1 ARG 22 2HH1 ARG 22 5.299 -10.387 -1.407
149 1HH2 ARG 22 1HH2 ARG 22 6.974 -8.010 -3.319
150 2HH2 ARG 22 2HH2 ARG 22 5.929 -9.390 -3.363
151 H ARG 23 H ARG 23 4.908 -4.462 2.776
152 HA ARG 23 HA ARG 23 4.977 -5.860 5.343
153 1HB ARG 23 1HB ARG 23 6.771 -4.293 4.555
154 2HB ARG 23 2HB ARG 23 5.623 -2.971 4.579
155 1HG ARG 23 1HG ARG 23 5.362 -3.237 7.059
156 2HG ARG 23 2HG ARG 23 6.502 -4.571 7.031
157 1HD ARG 23 1HD ARG 23 7.094 -1.695 6.190
158 2HD ARG 23 2HD ARG 23 7.602 -2.443 7.703
159 HE ARG 23 HE ARG 23 8.572 -4.111 5.668
160 1HH1 ARG 23 1HH1 ARG 23 8.917 -0.813 6.678
161 2HH1 ARG 23 2HH1 ARG 23 10.532 -0.678 6.073
162 1HH2 ARG 23 1HH2 ARG 23 10.617 -3.962 4.898
163 2HH2 ARG 23 2HH2 ARG 23 11.512 -2.487 5.051
164 H GLY 24 H GLY 24 2.619 -4.369 3.616
165 1HA GLY 24 1HA GLY 24 0.392 -3.933 4.226
166 2HA GLY 24 2HA GLY 24 0.837 -4.087 5.928
167 H LYS 25 H LYS 25 2.886 -2.115 4.060
168 HA LYS 25 HA LYS 25 1.622 0.383 5.153
169 1HB LYS 25 1HB LYS 25 4.544 0.011 4.377
170 2HB LYS 25 2HB LYS 25 3.839 1.363 5.215
171 1HG LYS 25 1HG LYS 25 3.961 -1.436 6.375
172 2HG LYS 25 2HG LYS 25 5.050 -0.129 6.790
173 1HD LYS 25 1HD LYS 25 3.162 1.223 7.652
174 2HD LYS 25 2HD LYS 25 2.022 -0.024 7.194
175 1HE LYS 25 1HE LYS 25 4.269 -0.368 9.218
176 2HE LYS 25 2HE LYS 25 2.562 -0.184 9.595
177 1HZ LYS 25 1HZ LYS 25 2.270 -2.193 8.060
178 2HZ LYS 25 2HZ LYS 25 3.931 -2.442 8.309
179 3HZ LYS 25 3HZ LYS 25 2.867 -2.442 9.632
180 H CYS 26 H CYS 26 1.901 2.257 3.754
181 HA CYS 26 HA CYS 26 1.324 1.547 0.982
182 1HB CYS 26 1HB CYS 26 1.442 4.175 2.402
183 2HB CYS 26 2HB CYS 26 0.994 4.024 0.721
184 1HN NH2 27 1HT NH2 27 2.279 2.802 -0.876
185 2HN NH2 27 2HT NH2 27 3.957 3.031 -0.904
Start of MODEL 14
1 1H CYS 1 1H CYS 1 -8.153 8.098 1.022
2 2H CYS 1 2H CYS 1 -9.053 6.896 0.226
3 3H CYS 1 3H CYS 1 -8.792 6.794 1.902
4 HA CYS 1 HA CYS 1 -7.344 5.253 0.851
5 1HB CYS 1 1HB CYS 1 -5.689 6.002 -0.791
6 2HB CYS 1 2HB CYS 1 -7.298 6.305 -1.379
7 H LYS 2 H LYS 2 -5.315 4.874 1.623
8 HA LYS 2 HA LYS 2 -4.421 6.644 3.807
9 1HB LYS 2 1HB LYS 2 -3.764 3.781 3.011
10 2HB LYS 2 2HB LYS 2 -2.952 4.595 4.320
11 1HG LYS 2 1HG LYS 2 -4.789 3.174 5.128
12 2HG LYS 2 2HG LYS 2 -5.006 4.853 5.568
13 1HD LYS 2 1HD LYS 2 -6.694 5.149 3.835
14 2HD LYS 2 2HD LYS 2 -6.421 3.543 3.197
15 1HE LYS 2 1HE LYS 2 -7.189 2.657 5.475
16 2HE LYS 2 2HE LYS 2 -7.507 4.320 5.945
17 1HZ LYS 2 1HZ LYS 2 -8.872 4.332 3.757
18 2HZ LYS 2 2HZ LYS 2 -8.891 2.650 3.986
19 3HZ LYS 2 3HZ LYS 2 -9.527 3.675 5.181
20 H GLY 3 H GLY 3 -2.731 7.889 3.673
21 1HA GLY 3 1HA GLY 3 -1.312 8.498 1.326
22 2HA GLY 3 2HA GLY 3 -0.789 8.940 2.941
23 H LYS 4 H LYS 4 1.186 8.597 1.362
24 HA LYS 4 HA LYS 4 2.172 5.986 0.859
25 1HB LYS 4 1HB LYS 4 3.089 8.066 -0.177
26 2HB LYS 4 2HB LYS 4 3.714 8.572 1.377
27 1HG LYS 4 1HG LYS 4 5.519 7.593 0.035
28 2HG LYS 4 2HG LYS 4 5.219 6.577 1.428
29 1HD LYS 4 1HD LYS 4 3.841 5.046 0.008
30 2HD LYS 4 2HD LYS 4 4.125 6.078 -1.383
31 1HE LYS 4 1HE LYS 4 6.581 5.643 -1.165
32 2HE LYS 4 2HE LYS 4 6.261 4.601 0.217
33 1HZ LYS 4 1HZ LYS 4 4.694 3.953 -2.096
34 2HZ LYS 4 2HZ LYS 4 6.366 3.801 -2.346
35 3HZ LYS 4 3HZ LYS 4 5.612 2.951 -1.082
36 H GLY 5 H GLY 5 3.265 4.552 2.045
37 1HA GLY 5 1HA GLY 5 4.254 3.487 3.859
38 2HA GLY 5 2HA GLY 5 4.672 5.067 4.496
39 H ALA 6 H ALA 6 1.339 4.639 3.916
40 HA ALA 6 HA ALA 6 0.817 4.519 6.830
41 1HB ALA 6 1HB ALA 6 -1.003 5.107 4.479
42 2HB ALA 6 2HB ALA 6 -1.480 5.246 6.161
43 3HB ALA 6 3HB ALA 6 -0.247 6.310 5.509
44 HA PRO 7 HA PRO 7 -0.320 0.322 6.899
45 1HB PRO 7 1HB PRO 7 -2.673 0.423 8.503
46 2HB PRO 7 2HB PRO 7 -1.018 0.182 9.031
47 1HG PRO 7 1HG PRO 7 -2.680 2.577 9.259
48 2HG PRO 7 2HG PRO 7 -1.163 2.205 10.063
49 1HD PRO 7 1HD PRO 7 -1.535 4.049 7.927
50 2HD PRO 7 2HD PRO 7 0.017 3.493 8.575
51 H CYS 8 H CYS 8 -0.848 -0.340 4.946
52 HA CYS 8 HA CYS 8 -3.687 -0.182 4.021
53 1HB CYS 8 1HB CYS 8 -2.675 -0.470 1.761
54 2HB CYS 8 2HB CYS 8 -2.347 1.030 2.533
55 H ARG 9 H ARG 9 -4.058 -1.748 2.245
56 HA ARG 9 HA ARG 9 -3.091 -4.485 2.758
57 1HB ARG 9 1HB ARG 9 -5.461 -5.355 2.619
58 2HB ARG 9 2HB ARG 9 -5.107 -4.497 4.087
59 1HG ARG 9 1HG ARG 9 -6.571 -3.193 1.750
60 2HG ARG 9 2HG ARG 9 -7.396 -4.059 3.022
61 1HD ARG 9 1HD ARG 9 -5.612 -1.617 3.477
62 2HD ARG 9 2HD ARG 9 -7.367 -1.636 3.507
63 HE ARG 9 HE ARG 9 -6.824 -3.558 5.322
64 1HH1 ARG 9 1HH1 ARG 9 -5.473 -0.395 4.885
65 2HH1 ARG 9 2HH1 ARG 9 -5.144 -0.189 6.571
66 1HH2 ARG 9 1HH2 ARG 9 -6.399 -3.315 7.447
67 2HH2 ARG 9 2HH2 ARG 9 -5.666 -1.862 8.038
68 H LYS 10 H LYS 10 -2.545 -5.309 1.053
69 HA LYS 10 HA LYS 10 -2.671 -4.256 -1.582
70 1HB LYS 10 1HB LYS 10 -2.288 -7.189 -0.817
71 2HB LYS 10 2HB LYS 10 -1.889 -6.486 -2.361
72 1HG LYS 10 1HG LYS 10 0.145 -6.837 -1.110
73 2HG LYS 10 2HG LYS 10 -0.118 -5.116 -1.280
74 1HD LYS 10 1HD LYS 10 -0.846 -4.906 1.022
75 2HD LYS 10 2HD LYS 10 -0.921 -6.655 1.232
76 1HE LYS 10 1HE LYS 10 1.544 -6.720 0.882
77 2HE LYS 10 2HE LYS 10 1.557 -4.975 0.673
78 1HZ LYS 10 1HZ LYS 10 0.530 -6.317 3.103
79 2HZ LYS 10 2HZ LYS 10 2.132 -5.780 2.936
80 3HZ LYS 10 3HZ LYS 10 0.855 -4.663 2.890
81 H THR 11 H THR 11 -4.669 -6.309 0.235
82 HA THR 11 HA THR 11 -6.292 -7.800 -1.311
83 HB THR 11 HB THR 11 -7.245 -5.877 0.896
84 HG1 THR 11 HG1 THR 11 -5.461 -7.262 1.340
85 1HG2 THR 11 1HG2 THR 11 -8.300 -8.641 0.030
86 2HG2 THR 11 2HG2 THR 11 -8.956 -7.638 1.314
87 3HG2 THR 11 3HG2 THR 11 -9.131 -7.144 -0.360
88 H MET 12 H MET 12 -6.361 -4.338 -1.111
89 HA MET 12 HA MET 12 -7.834 -4.158 -3.658
90 1HB MET 12 1HB MET 12 -9.539 -2.597 -2.680
91 2HB MET 12 2HB MET 12 -9.643 -4.186 -1.951
92 1HG MET 12 1HG MET 12 -8.309 -3.424 -0.027
93 2HG MET 12 2HG MET 12 -8.114 -1.850 -0.738
94 1HE MET 12 1HE MET 12 -10.204 -0.316 -1.337
95 2HE MET 12 2HE MET 12 -11.101 0.110 0.106
96 3HE MET 12 3HE MET 12 -9.345 0.112 0.162
97 H TYR 13 H TYR 13 -5.260 -3.374 -2.005
98 HA TYR 13 HA TYR 13 -3.720 -1.614 -1.957
99 1HB TYR 13 1HB TYR 13 -5.121 -1.062 -4.644
100 2HB TYR 13 2HB TYR 13 -3.586 -0.348 -4.156
101 HD1 TYR 13 HD1 TYR 13 -1.642 -1.887 -3.615
102 HD2 TYR 13 HD2 TYR 13 -5.199 -3.336 -5.459
103 HE1 TYR 13 HE1 TYR 13 -0.458 -3.914 -4.303
104 HE2 TYR 13 HE2 TYR 13 -4.010 -5.363 -6.148
105 HH TYR 13 HH TYR 13 -2.114 -6.508 -6.074
106 H ASP 14 H ASP 14 -4.882 -0.990 -0.216
107 HA ASP 14 HA ASP 14 -6.938 1.064 -0.271
108 1HB ASP 14 1HB ASP 14 -6.904 -0.725 1.364
109 2HB ASP 14 2HB ASP 14 -5.312 -0.265 1.908
110 H CYS 15 H CYS 15 -4.075 1.478 -1.235
111 HA CYS 15 HA CYS 15 -3.384 3.903 0.368
112 1HB CYS 15 1HB CYS 15 -1.737 2.514 -1.713
113 2HB CYS 15 2HB CYS 15 -1.228 3.797 -0.639
114 H CYS 16 H CYS 16 -2.834 5.846 -0.588
115 HA CYS 16 HA CYS 16 -4.432 6.634 -2.859
116 1HB CYS 16 1HB CYS 16 -2.168 8.083 -1.441
117 2HB CYS 16 2HB CYS 16 -3.352 8.813 -2.484
118 H SER 17 H SER 17 -1.182 5.739 -2.158
119 HA SER 17 HA SER 17 0.117 6.496 -4.597
120 1HB SER 17 1HB SER 17 1.379 5.983 -2.489
121 2HB SER 17 2HB SER 17 0.846 4.297 -2.580
122 HG SER 17 HG SER 17 2.205 3.955 -4.136
123 H GLY 18 H GLY 18 -1.988 3.936 -3.734
124 1HA GLY 18 1HA GLY 18 -3.071 2.413 -5.161
125 2HA GLY 18 2HA GLY 18 -1.988 2.887 -6.466
126 H SER 19 H SER 19 0.229 2.391 -4.374
127 HA SER 19 HA SER 19 0.395 -0.576 -4.720
128 1HB SER 19 1HB SER 19 2.897 -0.198 -4.881
129 2HB SER 19 2HB SER 19 2.034 0.663 -6.162
130 HG SER 19 HG SER 19 3.012 1.669 -3.710
131 H CYS 20 H CYS 20 0.457 -1.661 -2.881
132 HA CYS 20 HA CYS 20 1.164 -0.202 -0.374
133 1HB CYS 20 1HB CYS 20 -1.102 -0.872 -0.359
134 2HB CYS 20 2HB CYS 20 -0.770 -2.497 -0.823
135 H GLY 21 H GLY 21 2.947 -0.646 0.466
136 1HA GLY 21 1HA GLY 21 4.847 -2.584 -0.218
137 2HA GLY 21 2HA GLY 21 4.832 -1.704 1.306
138 H ARG 22 H ARG 22 5.417 -4.427 0.514
139 HA ARG 22 HA ARG 22 3.577 -6.366 1.497
140 1HB ARG 22 1HB ARG 22 5.391 -7.956 1.359
141 2HB ARG 22 2HB ARG 22 5.469 -6.894 -0.021
142 1HG ARG 22 1HG ARG 22 7.244 -6.726 2.457
143 2HG ARG 22 2HG ARG 22 7.722 -7.339 0.899
144 1HD ARG 22 1HD ARG 22 7.004 -4.434 1.527
145 2HD ARG 22 2HD ARG 22 8.589 -5.070 1.165
146 HE ARG 22 HE ARG 22 6.505 -4.491 -0.780
147 1HH1 ARG 22 1HH1 ARG 22 9.322 -6.392 -0.091
148 2HH1 ARG 22 2HH1 ARG 22 9.700 -6.638 -1.762
149 1HH2 ARG 22 1HH2 ARG 22 6.967 -4.792 -2.896
150 2HH2 ARG 22 2HH2 ARG 22 8.349 -5.721 -3.373
151 H ARG 23 H ARG 23 5.579 -4.245 3.205
152 HA ARG 23 HA ARG 23 5.896 -5.908 5.590
153 1HB ARG 23 1HB ARG 23 7.573 -4.244 4.873
154 2HB ARG 23 2HB ARG 23 6.398 -2.961 4.955
155 1HG ARG 23 1HG ARG 23 7.179 -4.547 7.424
156 2HG ARG 23 2HG ARG 23 8.140 -3.191 6.882
157 1HD ARG 23 1HD ARG 23 5.169 -2.999 7.639
158 2HD ARG 23 2HD ARG 23 6.513 -2.493 8.634
159 HE ARG 23 HE ARG 23 5.511 -1.154 6.226
160 1HH1 ARG 23 1HH1 ARG 23 8.142 -1.523 8.461
161 2HH1 ARG 23 2HH1 ARG 23 8.820 0.023 8.081
162 1HH2 ARG 23 1HH2 ARG 23 6.362 0.799 5.735
163 2HH2 ARG 23 2HH2 ARG 23 7.805 1.354 6.519
164 H GLY 24 H GLY 24 3.562 -3.827 4.228
165 1HA GLY 24 1HA GLY 24 1.239 -4.122 5.094
166 2HA GLY 24 2HA GLY 24 1.888 -3.904 6.713
167 H LYS 25 H LYS 25 3.449 -1.896 4.517
168 HA LYS 25 HA LYS 25 1.622 0.391 5.229
169 1HB LYS 25 1HB LYS 25 4.644 0.419 4.887
170 2HB LYS 25 2HB LYS 25 3.667 1.820 5.232
171 1HG LYS 25 1HG LYS 25 3.883 -0.596 7.078
172 2HG LYS 25 2HG LYS 25 4.737 0.920 7.299
173 1HD LYS 25 1HD LYS 25 2.573 2.113 7.547
174 2HD LYS 25 2HD LYS 25 1.704 0.623 7.276
175 1HE LYS 25 1HE LYS 25 1.877 1.109 9.693
176 2HE LYS 25 2HE LYS 25 2.758 -0.361 9.307
177 1HZ LYS 25 1HZ LYS 25 4.062 2.287 9.408
178 2HZ LYS 25 2HZ LYS 25 3.919 1.282 10.771
179 3HZ LYS 25 3HZ LYS 25 4.793 0.754 9.414
180 H CYS 26 H CYS 26 1.839 2.212 3.746
181 HA CYS 26 HA CYS 26 1.448 1.251 1.037
182 1HB CYS 26 1HB CYS 26 1.308 4.006 2.201
183 2HB CYS 26 2HB CYS 26 0.866 3.575 0.573
184 1HN NH2 27 1HT NH2 27 2.220 2.554 -0.866
185 2HN NH2 27 2HT NH2 27 3.869 2.911 -0.964
Start of MODEL 15
1 1H CYS 1 1H CYS 1 -8.271 7.899 1.341
2 2H CYS 1 2H CYS 1 -9.172 6.648 0.628
3 3H CYS 1 3H CYS 1 -8.752 6.563 2.272
4 HA CYS 1 HA CYS 1 -7.329 5.105 1.058
5 1HB CYS 1 1HB CYS 1 -5.874 5.975 -0.698
6 2HB CYS 1 2HB CYS 1 -7.541 6.207 -1.129
7 H LYS 2 H LYS 2 -5.215 4.822 1.650
8 HA LYS 2 HA LYS 2 -4.224 6.658 3.754
9 1HB LYS 2 1HB LYS 2 -3.616 3.756 3.077
10 2HB LYS 2 2HB LYS 2 -2.764 4.634 4.320
11 1HG LYS 2 1HG LYS 2 -4.542 3.253 5.292
12 2HG LYS 2 2HG LYS 2 -4.823 4.951 5.602
13 1HD LYS 2 1HD LYS 2 -6.566 5.030 3.886
14 2HD LYS 2 2HD LYS 2 -6.222 3.389 3.382
15 1HE LYS 2 1HE LYS 2 -8.210 3.486 4.855
16 2HE LYS 2 2HE LYS 2 -6.924 2.637 5.698
17 1HZ LYS 2 1HZ LYS 2 -7.352 5.541 6.006
18 2HZ LYS 2 2HZ LYS 2 -8.147 4.397 6.977
19 3HZ LYS 2 3HZ LYS 2 -6.452 4.497 6.997
20 H GLY 3 H GLY 3 -2.566 7.928 3.417
21 1HA GLY 3 1HA GLY 3 -1.172 8.210 0.951
22 2HA GLY 3 2HA GLY 3 -0.671 8.929 2.477
23 H LYS 4 H LYS 4 1.332 8.177 0.845
24 HA LYS 4 HA LYS 4 2.266 5.550 0.885
25 1HB LYS 4 1HB LYS 4 4.463 6.530 0.512
26 2HB LYS 4 2HB LYS 4 3.233 7.249 -0.501
27 1HG LYS 4 1HG LYS 4 3.076 9.192 1.069
28 2HG LYS 4 2HG LYS 4 4.342 8.498 2.058
29 1HD LYS 4 1HD LYS 4 4.632 9.273 -0.867
30 2HD LYS 4 2HD LYS 4 5.207 10.230 0.484
31 1HE LYS 4 1HE LYS 4 6.201 7.433 -0.274
32 2HE LYS 4 2HE LYS 4 7.067 8.944 -0.483
33 1HZ LYS 4 1HZ LYS 4 6.841 9.243 1.978
34 2HZ LYS 4 2HZ LYS 4 6.331 7.623 2.048
35 3HZ LYS 4 3HZ LYS 4 7.882 8.001 1.464
36 H GLY 5 H GLY 5 3.369 4.303 2.201
37 1HA GLY 5 1HA GLY 5 4.458 3.456 4.067
38 2HA GLY 5 2HA GLY 5 4.767 5.094 4.603
39 H ALA 6 H ALA 6 1.511 4.874 4.094
40 HA ALA 6 HA ALA 6 0.972 4.645 6.982
41 1HB ALA 6 1HB ALA 6 -0.060 6.475 5.681
42 2HB ALA 6 2HB ALA 6 -0.860 5.299 4.653
43 3HB ALA 6 3HB ALA 6 -1.312 5.439 6.336
44 HA PRO 7 HA PRO 7 -0.226 0.508 7.044
45 1HB PRO 7 1HB PRO 7 -2.465 0.541 8.765
46 2HB PRO 7 2HB PRO 7 -0.774 0.458 9.225
47 1HG PRO 7 1HG PRO 7 -2.618 2.753 9.347
48 2HG PRO 7 2HG PRO 7 -1.121 2.485 10.226
49 1HD PRO 7 1HD PRO 7 -1.467 4.243 8.039
50 2HD PRO 7 2HD PRO 7 0.089 3.716 8.707
51 H CYS 8 H CYS 8 -0.820 0.131 4.955
52 HA CYS 8 HA CYS 8 -3.699 0.214 4.213
53 1HB CYS 8 1HB CYS 8 -2.776 -0.101 1.894
54 2HB CYS 8 2HB CYS 8 -2.371 1.376 2.656
55 H ARG 9 H ARG 9 -3.848 -1.445 2.260
56 HA ARG 9 HA ARG 9 -3.039 -4.190 2.982
57 1HB ARG 9 1HB ARG 9 -5.937 -3.320 2.426
58 2HB ARG 9 2HB ARG 9 -5.406 -4.960 2.748
59 1HG ARG 9 1HG ARG 9 -4.764 -4.334 5.049
60 2HG ARG 9 2HG ARG 9 -5.209 -2.666 4.747
61 1HD ARG 9 1HD ARG 9 -7.122 -5.043 4.617
62 2HD ARG 9 2HD ARG 9 -7.062 -3.858 5.915
63 HE ARG 9 HE ARG 9 -8.324 -3.506 3.336
64 1HH1 ARG 9 1HH1 ARG 9 -6.644 -1.845 5.877
65 2HH1 ARG 9 2HH1 ARG 9 -7.371 -0.318 5.506
66 1HH2 ARG 9 1HH2 ARG 9 -9.256 -1.590 2.861
67 2HH2 ARG 9 2HH2 ARG 9 -8.871 -0.171 3.778
68 H LYS 10 H LYS 10 -1.909 -4.477 1.270
69 HA LYS 10 HA LYS 10 -2.272 -3.390 -1.335
70 1HB LYS 10 1HB LYS 10 -0.590 -5.076 -1.955
71 2HB LYS 10 2HB LYS 10 -0.173 -4.365 -0.403
72 1HG LYS 10 1HG LYS 10 -1.393 -6.327 0.725
73 2HG LYS 10 2HG LYS 10 -1.515 -7.069 -0.857
74 1HD LYS 10 1HD LYS 10 1.015 -6.311 0.596
75 2HD LYS 10 2HD LYS 10 0.406 -7.938 0.353
76 1HE LYS 10 1HE LYS 10 1.328 -6.045 -1.841
77 2HE LYS 10 2HE LYS 10 2.203 -7.445 -1.242
78 1HZ LYS 10 1HZ LYS 10 0.199 -8.778 -1.900
79 2HZ LYS 10 2HZ LYS 10 -0.346 -7.402 -2.733
80 3HZ LYS 10 3HZ LYS 10 1.118 -8.140 -3.177
81 H THR 11 H THR 11 -3.702 -5.902 0.340
82 HA THR 11 HA THR 11 -4.672 -7.803 -1.372
83 HB THR 11 HB THR 11 -6.119 -6.355 0.913
84 HG1 THR 11 HG1 THR 11 -4.354 -8.569 0.672
85 1HG2 THR 11 1HG2 THR 11 -6.419 -9.253 -0.132
86 2HG2 THR 11 2HG2 THR 11 -7.307 -8.551 1.212
87 3HG2 THR 11 3HG2 THR 11 -7.621 -8.007 -0.426
88 H MET 12 H MET 12 -5.710 -4.589 -0.927
89 HA MET 12 HA MET 12 -7.345 -4.597 -3.407
90 1HB MET 12 1HB MET 12 -9.116 -3.278 -2.197
91 2HB MET 12 2HB MET 12 -8.934 -4.894 -1.544
92 1HG MET 12 1HG MET 12 -7.508 -4.036 0.269
93 2HG MET 12 2HG MET 12 -7.586 -2.423 -0.371
94 1HE MET 12 1HE MET 12 -9.978 -1.171 -0.668
95 2HE MET 12 2HE MET 12 -10.674 -0.902 0.919
96 3HE MET 12 3HE MET 12 -8.947 -0.681 0.698
97 H TYR 13 H TYR 13 -4.787 -3.407 -1.911
98 HA TYR 13 HA TYR 13 -3.513 -1.461 -1.996
99 1HB TYR 13 1HB TYR 13 -5.110 -1.181 -4.608
100 2HB TYR 13 2HB TYR 13 -3.633 -0.294 -4.240
101 HD1 TYR 13 HD1 TYR 13 -1.564 -1.726 -3.539
102 HD2 TYR 13 HD2 TYR 13 -4.937 -3.354 -5.572
103 HE1 TYR 13 HE1 TYR 13 -0.215 -3.642 -4.240
104 HE2 TYR 13 HE2 TYR 13 -3.583 -5.270 -6.271
105 HH TYR 13 HH TYR 13 -0.991 -5.650 -6.654
106 H ASP 14 H ASP 14 -4.706 -0.966 -0.208
107 HA ASP 14 HA ASP 14 -6.916 0.916 -0.184
108 1HB ASP 14 1HB ASP 14 -6.755 -0.867 1.440
109 2HB ASP 14 2HB ASP 14 -5.170 -0.426 1.935
110 H CYS 15 H CYS 15 -4.096 1.527 -1.226
111 HA CYS 15 HA CYS 15 -3.525 3.985 0.367
112 1HB CYS 15 1HB CYS 15 -1.849 2.633 -1.717
113 2HB CYS 15 2HB CYS 15 -1.358 3.984 -0.723
114 H CYS 16 H CYS 16 -3.153 5.961 -0.576
115 HA CYS 16 HA CYS 16 -4.860 6.672 -2.773
116 1HB CYS 16 1HB CYS 16 -2.538 8.204 -1.543
117 2HB CYS 16 2HB CYS 16 -3.828 8.883 -2.492
118 H SER 17 H SER 17 -1.549 5.916 -2.266
119 HA SER 17 HA SER 17 -0.534 6.567 -4.903
120 1HB SER 17 1HB SER 17 0.914 6.520 -2.822
121 2HB SER 17 2HB SER 17 0.659 4.775 -2.724
122 HG SER 17 HG SER 17 1.757 6.204 -4.909
123 H GLY 18 H GLY 18 -2.035 3.890 -3.341
124 1HA GLY 18 1HA GLY 18 -2.929 1.915 -4.170
125 2HA GLY 18 2HA GLY 18 -2.523 2.461 -5.794
126 H SER 19 H SER 19 0.224 2.611 -3.989
127 HA SER 19 HA SER 19 1.180 -0.060 -4.930
128 1HB SER 19 1HB SER 19 3.454 1.066 -4.931
129 2HB SER 19 2HB SER 19 2.306 1.927 -5.967
130 HG SER 19 HG SER 19 1.792 3.182 -4.042
131 H CYS 20 H CYS 20 -0.028 -0.657 -2.874
132 HA CYS 20 HA CYS 20 1.406 -0.121 -0.373
133 1HB CYS 20 1HB CYS 20 -1.031 -0.264 -0.391
134 2HB CYS 20 2HB CYS 20 -0.989 -1.876 -0.982
135 H GLY 21 H GLY 21 2.919 -1.270 0.454
136 1HA GLY 21 1HA GLY 21 4.014 -3.630 -0.820
137 2HA GLY 21 2HA GLY 21 4.645 -2.820 0.601
138 H ARG 22 H ARG 22 4.846 -5.311 0.564
139 HA ARG 22 HA ARG 22 2.723 -6.935 1.679
140 1HB ARG 22 1HB ARG 22 4.392 -8.678 1.901
141 2HB ARG 22 2HB ARG 22 4.639 -7.888 0.368
142 1HG ARG 22 1HG ARG 22 6.311 -7.467 2.889
143 2HG ARG 22 2HG ARG 22 6.797 -8.359 1.469
144 1HD ARG 22 1HD ARG 22 6.338 -5.350 1.623
145 2HD ARG 22 2HD ARG 22 7.866 -6.182 1.421
146 HE ARG 22 HE ARG 22 6.497 -7.139 -0.716
147 1HH1 ARG 22 1HH1 ARG 22 6.943 -3.935 0.537
148 2HH1 ARG 22 2HH1 ARG 22 6.815 -3.190 -1.020
149 1HH2 ARG 22 1HH2 ARG 22 6.336 -6.212 -2.694
150 2HH2 ARG 22 2HH2 ARG 22 6.469 -4.495 -2.875
151 H ARG 23 H ARG 23 4.916 -4.721 2.944
152 HA ARG 23 HA ARG 23 5.026 -5.764 5.669
153 1HB ARG 23 1HB ARG 23 6.187 -3.601 6.136
154 2HB ARG 23 2HB ARG 23 6.878 -4.422 4.750
155 1HG ARG 23 1HG ARG 23 5.532 -2.955 3.213
156 2HG ARG 23 2HG ARG 23 4.836 -2.150 4.603
157 1HD ARG 23 1HD ARG 23 6.723 -0.836 3.664
158 2HD ARG 23 2HD ARG 23 7.116 -1.391 5.291
159 HE ARG 23 HE ARG 23 7.984 -3.305 3.315
160 1HH1 ARG 23 1HH1 ARG 23 8.744 -0.230 4.724
161 2HH1 ARG 23 2HH1 ARG 23 10.438 -0.373 4.394
162 1HH2 ARG 23 1HH2 ARG 23 10.118 -3.505 2.889
163 2HH2 ARG 23 2HH2 ARG 23 11.230 -2.255 3.339
164 H GLY 24 H GLY 24 2.613 -4.520 3.900
165 1HA GLY 24 1HA GLY 24 0.466 -3.842 4.493
166 2HA GLY 24 2HA GLY 24 0.946 -3.894 6.187
167 H LYS 25 H LYS 25 2.909 -2.080 4.005
168 HA LYS 25 HA LYS 25 1.677 0.485 5.009
169 1HB LYS 25 1HB LYS 25 4.617 0.089 4.317
170 2HB LYS 25 2HB LYS 25 3.886 1.498 5.021
171 1HG LYS 25 1HG LYS 25 3.986 -1.185 6.437
172 2HG LYS 25 2HG LYS 25 5.071 0.154 6.744
173 1HD LYS 25 1HD LYS 25 3.203 1.577 7.468
174 2HD LYS 25 2HD LYS 25 2.034 0.335 7.076
175 1HE LYS 25 1HE LYS 25 4.238 0.086 9.163
176 2HE LYS 25 2HE LYS 25 2.530 0.335 9.499
177 1HZ LYS 25 1HZ LYS 25 2.312 -1.787 8.010
178 2HZ LYS 25 2HZ LYS 25 3.905 -2.052 8.532
179 3HZ LYS 25 3HZ LYS 25 2.653 -1.902 9.670
180 H CYS 26 H CYS 26 1.926 2.253 3.600
181 HA CYS 26 HA CYS 26 1.453 1.487 0.815
182 1HB CYS 26 1HB CYS 26 1.389 4.120 2.228
183 2HB CYS 26 2HB CYS 26 0.929 3.901 0.555
184 1HN NH2 27 1HT NH2 27 2.372 3.227 -0.883
185 2HN NH2 27 2HT NH2 27 4.058 3.384 -0.867
Start of MODEL 16
1 1H CYS 1 1H CYS 1 -7.966 8.061 1.270
2 2H CYS 1 2H CYS 1 -8.944 6.871 0.553
3 3H CYS 1 3H CYS 1 -8.551 6.768 2.204
4 HA CYS 1 HA CYS 1 -7.228 5.204 1.007
5 1HB CYS 1 1HB CYS 1 -5.658 5.969 -0.708
6 2HB CYS 1 2HB CYS 1 -7.294 6.309 -1.191
7 H LYS 2 H LYS 2 -5.246 4.726 1.761
8 HA LYS 2 HA LYS 2 -4.165 6.378 3.924
9 1HB LYS 2 1HB LYS 2 -3.615 3.608 2.862
10 2HB LYS 2 2HB LYS 2 -2.580 4.305 4.057
11 1HG LYS 2 1HG LYS 2 -4.310 2.781 4.965
12 2HG LYS 2 2HG LYS 2 -4.284 4.352 5.709
13 1HD LYS 2 1HD LYS 2 -6.284 3.664 3.527
14 2HD LYS 2 2HD LYS 2 -6.553 3.257 5.206
15 1HE LYS 2 1HE LYS 2 -6.153 6.125 4.238
16 2HE LYS 2 2HE LYS 2 -7.681 5.372 4.609
17 1HZ LYS 2 1HZ LYS 2 -6.633 4.877 6.845
18 2HZ LYS 2 2HZ LYS 2 -5.442 6.007 6.406
19 3HZ LYS 2 3HZ LYS 2 -7.069 6.484 6.511
20 H GLY 3 H GLY 3 -2.547 7.612 3.839
21 1HA GLY 3 1HA GLY 3 -1.215 8.415 1.446
22 2HA GLY 3 2HA GLY 3 -0.676 8.829 3.068
23 H LYS 4 H LYS 4 1.263 8.443 1.277
24 HA LYS 4 HA LYS 4 2.196 5.759 0.912
25 1HB LYS 4 1HB LYS 4 2.918 7.782 -0.374
26 2HB LYS 4 2HB LYS 4 3.774 8.370 1.024
27 1HG LYS 4 1HG LYS 4 4.370 5.767 -0.442
28 2HG LYS 4 2HG LYS 4 5.247 7.253 -0.691
29 1HD LYS 4 1HD LYS 4 5.253 5.560 1.859
30 2HD LYS 4 2HD LYS 4 6.537 5.749 0.708
31 1HE LYS 4 1HE LYS 4 5.457 8.053 2.378
32 2HE LYS 4 2HE LYS 4 6.941 7.172 2.687
33 1HZ LYS 4 1HZ LYS 4 7.684 7.822 0.443
34 2HZ LYS 4 2HZ LYS 4 6.309 8.808 0.307
35 3HZ LYS 4 3HZ LYS 4 7.469 9.129 1.506
36 H GLY 5 H GLY 5 3.027 4.413 2.329
37 1HA GLY 5 1HA GLY 5 4.374 3.645 4.111
38 2HA GLY 5 2HA GLY 5 4.566 5.294 4.681
39 H ALA 6 H ALA 6 1.361 4.801 4.068
40 HA ALA 6 HA ALA 6 0.745 4.450 6.949
41 1HB ALA 6 1HB ALA 6 -0.980 5.319 4.610
42 2HB ALA 6 2HB ALA 6 -1.513 5.315 6.276
43 3HB ALA 6 3HB ALA 6 -0.215 6.379 5.773
44 HA PRO 7 HA PRO 7 -0.392 0.335 6.787
45 1HB PRO 7 1HB PRO 7 -2.699 0.221 8.388
46 2HB PRO 7 2HB PRO 7 -1.033 0.212 8.935
47 1HG PRO 7 1HG PRO 7 -2.994 2.423 8.975
48 2HG PRO 7 2HG PRO 7 -1.565 2.184 9.973
49 1HD PRO 7 1HD PRO 7 -1.780 4.001 7.829
50 2HD PRO 7 2HD PRO 7 -0.264 3.469 8.573
51 H CYS 8 H CYS 8 -0.881 -0.157 4.720
52 HA CYS 8 HA CYS 8 -3.671 0.026 3.737
53 1HB CYS 8 1HB CYS 8 -2.582 -0.535 1.563
54 2HB CYS 8 2HB CYS 8 -2.160 0.962 2.282
55 H ARG 9 H ARG 9 -3.994 -1.651 1.946
56 HA ARG 9 HA ARG 9 -3.543 -4.436 2.847
57 1HB ARG 9 1HB ARG 9 -6.268 -3.283 2.078
58 2HB ARG 9 2HB ARG 9 -5.944 -4.952 2.506
59 1HG ARG 9 1HG ARG 9 -5.278 -4.234 4.796
60 2HG ARG 9 2HG ARG 9 -5.620 -2.565 4.366
61 1HD ARG 9 1HD ARG 9 -7.668 -4.827 4.332
62 2HD ARG 9 2HD ARG 9 -7.562 -3.581 5.564
63 HE ARG 9 HE ARG 9 -8.693 -3.283 2.900
64 1HH1 ARG 9 1HH1 ARG 9 -7.148 -1.641 5.532
65 2HH1 ARG 9 2HH1 ARG 9 -7.816 -0.101 5.108
66 1HH2 ARG 9 1HH2 ARG 9 -9.552 -1.343 2.352
67 2HH2 ARG 9 2HH2 ARG 9 -9.196 0.070 3.287
68 H LYS 10 H LYS 10 -2.621 -5.324 1.146
69 HA LYS 10 HA LYS 10 -2.545 -4.286 -1.517
70 1HB LYS 10 1HB LYS 10 -2.271 -7.228 -0.726
71 2HB LYS 10 2HB LYS 10 -1.798 -6.551 -2.262
72 1HG LYS 10 1HG LYS 10 0.177 -6.928 -0.952
73 2HG LYS 10 2HG LYS 10 -0.053 -5.203 -1.126
74 1HD LYS 10 1HD LYS 10 -0.882 -5.011 1.163
75 2HD LYS 10 2HD LYS 10 -0.907 -6.763 1.355
76 1HE LYS 10 1HE LYS 10 1.565 -6.771 1.034
77 2HE LYS 10 2HE LYS 10 1.531 -5.028 0.810
78 1HZ LYS 10 1HZ LYS 10 0.654 -6.466 3.252
79 2HZ LYS 10 2HZ LYS 10 2.141 -5.664 3.065
80 3HZ LYS 10 3HZ LYS 10 0.690 -4.781 3.041
81 H THR 11 H THR 11 -4.603 -6.399 0.162
82 HA THR 11 HA THR 11 -6.183 -7.835 -1.454
83 HB THR 11 HB THR 11 -7.163 -5.988 0.797
84 HG1 THR 11 HG1 THR 11 -6.097 -8.619 0.616
85 1HG2 THR 11 1HG2 THR 11 -8.241 -8.709 -0.189
86 2HG2 THR 11 2HG2 THR 11 -8.902 -7.757 1.131
87 3HG2 THR 11 3HG2 THR 11 -9.054 -7.187 -0.521
88 H MET 12 H MET 12 -6.421 -4.389 -1.083
89 HA MET 12 HA MET 12 -7.894 -4.159 -3.638
90 1HB MET 12 1HB MET 12 -9.603 -2.671 -2.561
91 2HB MET 12 2HB MET 12 -9.637 -4.294 -1.904
92 1HG MET 12 1HG MET 12 -8.271 -3.586 0.020
93 2HG MET 12 2HG MET 12 -8.184 -1.964 -0.590
94 1HE MET 12 1HE MET 12 -9.744 -4.374 1.680
95 2HE MET 12 2HE MET 12 -11.435 -3.939 1.824
96 3HE MET 12 3HE MET 12 -10.880 -4.731 0.358
97 H TYR 13 H TYR 13 -5.298 -3.374 -2.063
98 HA TYR 13 HA TYR 13 -3.782 -1.601 -2.017
99 1HB TYR 13 1HB TYR 13 -5.277 -0.978 -4.633
100 2HB TYR 13 2HB TYR 13 -3.722 -0.283 -4.184
101 HD1 TYR 13 HD1 TYR 13 -1.768 -1.849 -3.746
102 HD2 TYR 13 HD2 TYR 13 -5.393 -3.216 -5.521
103 HE1 TYR 13 HE1 TYR 13 -0.620 -3.857 -4.546
104 HE2 TYR 13 HE2 TYR 13 -4.239 -5.222 -6.320
105 HH TYR 13 HH TYR 13 -1.702 -5.777 -6.896
106 H ASP 14 H ASP 14 -4.870 -1.015 -0.219
107 HA ASP 14 HA ASP 14 -6.906 1.054 -0.123
108 1HB ASP 14 1HB ASP 14 -6.832 -0.764 1.505
109 2HB ASP 14 2HB ASP 14 -5.207 -0.376 1.961
110 H CYS 15 H CYS 15 -4.131 1.456 -1.261
111 HA CYS 15 HA CYS 15 -3.232 3.819 0.326
112 1HB CYS 15 1HB CYS 15 -1.845 2.397 -1.911
113 2HB CYS 15 2HB CYS 15 -1.179 3.685 -0.940
114 H CYS 16 H CYS 16 -2.823 5.777 -0.568
115 HA CYS 16 HA CYS 16 -4.534 6.670 -2.703
116 1HB CYS 16 1HB CYS 16 -2.160 8.003 -1.350
117 2HB CYS 16 2HB CYS 16 -3.335 8.824 -2.327
118 H SER 17 H SER 17 -1.240 5.757 -2.257
119 HA SER 17 HA SER 17 -0.230 6.501 -4.870
120 1HB SER 17 1HB SER 17 1.255 6.281 -2.844
121 2HB SER 17 2HB SER 17 0.898 4.549 -2.788
122 HG SER 17 HG SER 17 1.835 4.270 -4.740
123 H GLY 18 H GLY 18 -1.971 3.893 -3.518
124 1HA GLY 18 1HA GLY 18 -3.023 2.084 -4.522
125 2HA GLY 18 2HA GLY 18 -2.369 2.600 -6.077
126 H SER 19 H SER 19 0.152 2.402 -4.004
127 HA SER 19 HA SER 19 0.795 -0.428 -4.739
128 1HB SER 19 1HB SER 19 3.203 0.387 -4.818
129 2HB SER 19 2HB SER 19 2.187 1.246 -5.984
130 HG SER 19 HG SER 19 1.836 2.807 -4.266
131 H CYS 20 H CYS 20 0.261 -1.469 -2.907
132 HA CYS 20 HA CYS 20 1.134 -0.374 -0.291
133 1HB CYS 20 1HB CYS 20 -1.161 -1.074 -0.477
134 2HB CYS 20 2HB CYS 20 -0.718 -2.665 -0.981
135 H GLY 21 H GLY 21 2.953 -0.893 0.436
136 1HA GLY 21 1HA GLY 21 4.714 -2.943 -0.461
137 2HA GLY 21 2HA GLY 21 4.923 -1.944 0.972
138 H ARG 22 H ARG 22 5.476 -4.672 0.566
139 HA ARG 22 HA ARG 22 3.696 -6.540 1.713
140 1HB ARG 22 1HB ARG 22 6.733 -6.530 1.718
141 2HB ARG 22 2HB ARG 22 5.745 -7.925 2.110
142 1HG ARG 22 1HG ARG 22 4.710 -7.831 -0.156
143 2HG ARG 22 2HG ARG 22 5.710 -6.445 -0.558
144 1HD ARG 22 1HD ARG 22 7.761 -7.793 -0.227
145 2HD ARG 22 2HD ARG 22 6.798 -9.196 0.219
146 HE ARG 22 HE ARG 22 7.227 -8.164 -2.477
147 1HH1 ARG 22 1HH1 ARG 22 5.122 -9.989 -0.410
148 2HH1 ARG 22 2HH1 ARG 22 4.426 -10.880 -1.720
149 1HH2 ARG 22 1HH2 ARG 22 6.355 -9.282 -4.147
150 2HH2 ARG 22 2HH2 ARG 22 5.130 -10.474 -3.864
151 H ARG 23 H ARG 23 5.674 -4.200 3.227
152 HA ARG 23 HA ARG 23 5.628 -5.442 5.876
153 1HB ARG 23 1HB ARG 23 6.723 -3.402 6.647
154 2HB ARG 23 2HB ARG 23 7.481 -3.929 5.174
155 1HG ARG 23 1HG ARG 23 5.520 -1.625 5.462
156 2HG ARG 23 2HG ARG 23 7.238 -1.481 5.205
157 1HD ARG 23 1HD ARG 23 5.180 -2.496 3.208
158 2HD ARG 23 2HD ARG 23 6.143 -1.034 3.127
159 HE ARG 23 HE ARG 23 7.617 -3.601 3.241
160 1HH1 ARG 23 1HH1 ARG 23 6.546 -0.879 1.354
161 2HH1 ARG 23 2HH1 ARG 23 7.680 -1.196 0.087
162 1HH2 ARG 23 1HH2 ARG 23 9.031 -3.997 1.655
163 2HH2 ARG 23 2HH2 ARG 23 9.103 -2.980 0.255
164 H GLY 24 H GLY 24 3.221 -4.335 4.121
165 1HA GLY 24 1HA GLY 24 1.008 -3.892 4.704
166 2HA GLY 24 2HA GLY 24 1.489 -3.798 6.391
167 H LYS 25 H LYS 25 3.351 -1.873 4.266
168 HA LYS 25 HA LYS 25 1.738 0.556 5.042
169 1HB LYS 25 1HB LYS 25 4.742 0.444 4.603
170 2HB LYS 25 2HB LYS 25 3.825 1.806 5.180
171 1HG LYS 25 1HG LYS 25 4.059 -0.810 6.714
172 2HG LYS 25 2HG LYS 25 4.969 0.642 7.069
173 1HD LYS 25 1HD LYS 25 2.891 1.863 7.590
174 2HD LYS 25 2HD LYS 25 1.913 0.485 7.139
175 1HE LYS 25 1HE LYS 25 3.951 0.543 9.404
176 2HE LYS 25 2HE LYS 25 2.204 0.589 9.592
177 1HZ LYS 25 1HZ LYS 25 2.304 -1.574 8.206
178 2HZ LYS 25 2HZ LYS 25 3.915 -1.631 8.736
179 3HZ LYS 25 3HZ LYS 25 2.649 -1.614 9.870
180 H CYS 26 H CYS 26 1.905 2.285 3.571
181 HA CYS 26 HA CYS 26 1.680 1.354 0.810
182 1HB CYS 26 1HB CYS 26 1.278 4.039 2.057
183 2HB CYS 26 2HB CYS 26 0.927 3.671 0.388
184 1HN NH2 27 1HT NH2 27 2.431 2.806 -0.999
185 2HN NH2 27 2HT NH2 27 4.051 3.290 -1.004
Start of MODEL 17
1 1H CYS 1 1H CYS 1 -8.914 6.196 1.951
2 2H CYS 1 2H CYS 1 -8.283 7.594 1.222
3 3H CYS 1 3H CYS 1 -9.150 6.467 0.290
4 HA CYS 1 HA CYS 1 -7.453 4.808 0.665
5 1HB CYS 1 1HB CYS 1 -5.702 5.870 -0.699
6 2HB CYS 1 2HB CYS 1 -7.285 6.210 -1.320
7 H LYS 2 H LYS 2 -4.986 4.777 0.991
8 HA LYS 2 HA LYS 2 -4.359 5.872 3.675
9 1HB LYS 2 1HB LYS 2 -4.744 3.363 3.442
10 2HB LYS 2 2HB LYS 2 -3.417 3.312 2.312
11 1HG LYS 2 1HG LYS 2 -2.446 2.644 4.310
12 2HG LYS 2 2HG LYS 2 -1.984 4.308 4.174
13 1HD LYS 2 1HD LYS 2 -4.150 3.143 5.930
14 2HD LYS 2 2HD LYS 2 -2.606 3.744 6.469
15 1HE LYS 2 1HE LYS 2 -4.181 5.372 7.148
16 2HE LYS 2 2HE LYS 2 -3.472 6.067 5.702
17 1HZ LYS 2 1HZ LYS 2 -5.520 4.634 4.705
18 2HZ LYS 2 2HZ LYS 2 -6.152 5.153 6.191
19 3HZ LYS 2 3HZ LYS 2 -5.578 6.292 5.072
20 H GLY 3 H GLY 3 -2.898 7.351 3.680
21 1HA GLY 3 1HA GLY 3 -1.381 8.264 1.485
22 2HA GLY 3 2HA GLY 3 -1.019 8.638 3.164
23 H LYS 4 H LYS 4 1.038 8.414 1.386
24 HA LYS 4 HA LYS 4 2.235 5.914 1.004
25 1HB LYS 4 1HB LYS 4 3.483 8.649 1.394
26 2HB LYS 4 2HB LYS 4 4.340 7.244 0.790
27 1HG LYS 4 1HG LYS 4 2.736 7.053 -1.094
28 2HG LYS 4 2HG LYS 4 1.862 8.460 -0.510
29 1HD LYS 4 1HD LYS 4 3.904 9.862 -0.787
30 2HD LYS 4 2HD LYS 4 4.790 8.466 -1.368
31 1HE LYS 4 1HE LYS 4 2.323 9.650 -2.720
32 2HE LYS 4 2HE LYS 4 3.981 9.876 -3.253
33 1HZ LYS 4 1HZ LYS 4 2.885 7.166 -2.934
34 2HZ LYS 4 2HZ LYS 4 2.580 8.066 -4.338
35 3HZ LYS 4 3HZ LYS 4 4.176 7.698 -3.895
36 H GLY 5 H GLY 5 3.375 4.576 2.141
37 1HA GLY 5 1HA GLY 5 4.494 3.517 3.874
38 2HA GLY 5 2HA GLY 5 4.939 5.096 4.484
39 H ALA 6 H ALA 6 1.614 4.857 4.193
40 HA ALA 6 HA ALA 6 1.325 4.509 7.125
41 1HB ALA 6 1HB ALA 6 0.322 6.501 6.064
42 2HB ALA 6 2HB ALA 6 -0.640 5.491 5.013
43 3HB ALA 6 3HB ALA 6 -0.948 5.495 6.731
44 HA PRO 7 HA PRO 7 -0.022 0.439 7.054
45 1HB PRO 7 1HB PRO 7 -2.211 0.468 8.836
46 2HB PRO 7 2HB PRO 7 -0.513 0.281 9.226
47 1HG PRO 7 1HG PRO 7 -2.238 2.639 9.553
48 2HG PRO 7 2HG PRO 7 -0.707 2.267 10.332
49 1HD PRO 7 1HD PRO 7 -1.105 4.149 8.268
50 2HD PRO 7 2HD PRO 7 0.460 3.537 8.824
51 H CYS 8 H CYS 8 -0.670 0.228 4.922
52 HA CYS 8 HA CYS 8 -3.556 0.345 4.290
53 1HB CYS 8 1HB CYS 8 -2.713 -0.181 1.962
54 2HB CYS 8 2HB CYS 8 -2.302 1.361 2.554
55 H ARG 9 H ARG 9 -4.217 -1.154 2.706
56 HA ARG 9 HA ARG 9 -3.676 -4.017 3.333
57 1HB ARG 9 1HB ARG 9 -6.351 -2.669 2.649
58 2HB ARG 9 2HB ARG 9 -6.106 -4.382 2.990
59 1HG ARG 9 1HG ARG 9 -5.363 -3.866 5.254
60 2HG ARG 9 2HG ARG 9 -5.550 -2.146 4.937
61 1HD ARG 9 1HD ARG 9 -7.838 -4.154 4.828
62 2HD ARG 9 2HD ARG 9 -7.509 -3.105 6.198
63 HE ARG 9 HE ARG 9 -8.774 -2.325 3.710
64 1HH1 ARG 9 1HH1 ARG 9 -6.755 -1.234 6.315
65 2HH1 ARG 9 2HH1 ARG 9 -7.218 0.422 6.128
66 1HH2 ARG 9 1HH2 ARG 9 -9.381 -0.230 3.472
67 2HH2 ARG 9 2HH2 ARG 9 -8.721 0.995 4.504
68 H LYS 10 H LYS 10 -2.264 -4.160 1.633
69 HA LYS 10 HA LYS 10 -2.581 -3.160 -1.006
70 1HB LYS 10 1HB LYS 10 -0.820 -4.747 -1.647
71 2HB LYS 10 2HB LYS 10 -0.428 -4.103 -0.074
72 1HG LYS 10 1HG LYS 10 -1.649 -6.839 -0.594
73 2HG LYS 10 2HG LYS 10 0.018 -6.520 -0.184
74 1HD LYS 10 1HD LYS 10 -0.711 -5.598 2.043
75 2HD LYS 10 2HD LYS 10 -2.369 -6.031 1.651
76 1HE LYS 10 1HE LYS 10 -0.104 -8.027 1.801
77 2HE LYS 10 2HE LYS 10 -1.349 -7.786 3.018
78 1HZ LYS 10 1HZ LYS 10 -2.663 -8.101 0.608
79 2HZ LYS 10 2HZ LYS 10 -1.462 -9.302 0.654
80 3HZ LYS 10 3HZ LYS 10 -2.601 -9.187 1.910
81 H THR 11 H THR 11 -3.993 -5.716 0.601
82 HA THR 11 HA THR 11 -4.753 -7.624 -1.245
83 HB THR 11 HB THR 11 -6.251 -6.446 1.144
84 HG1 THR 11 HG1 THR 11 -4.051 -7.281 1.277
85 1HG2 THR 11 1HG2 THR 11 -6.396 -9.278 -0.099
86 2HG2 THR 11 2HG2 THR 11 -7.294 -8.732 1.310
87 3HG2 THR 11 3HG2 THR 11 -7.689 -8.103 -0.279
88 H MET 12 H MET 12 -5.991 -4.444 -0.831
89 HA MET 12 HA MET 12 -7.725 -4.700 -3.230
90 1HB MET 12 1HB MET 12 -9.494 -3.335 -2.021
91 2HB MET 12 2HB MET 12 -9.244 -4.925 -1.330
92 1HG MET 12 1HG MET 12 -7.922 -2.401 -0.284
93 2HG MET 12 2HG MET 12 -9.364 -3.055 0.424
94 1HE MET 12 1HE MET 12 -9.518 -4.571 2.256
95 2HE MET 12 2HE MET 12 -9.329 -5.858 1.041
96 3HE MET 12 3HE MET 12 -8.413 -5.904 2.539
97 H TYR 13 H TYR 13 -5.068 -3.433 -2.454
98 HA TYR 13 HA TYR 13 -3.883 -1.448 -2.827
99 1HB TYR 13 1HB TYR 13 -6.101 -1.161 -4.929
100 2HB TYR 13 2HB TYR 13 -4.591 -0.259 -4.940
101 HD1 TYR 13 HD1 TYR 13 -2.423 -1.471 -5.244
102 HD2 TYR 13 HD2 TYR 13 -6.156 -3.491 -5.621
103 HE1 TYR 13 HE1 TYR 13 -1.304 -3.331 -6.376
104 HE2 TYR 13 HE2 TYR 13 -5.032 -5.350 -6.754
105 HH TYR 13 HH TYR 13 -2.486 -5.344 -8.221
106 H ASP 14 H ASP 14 -4.860 -1.080 -0.700
107 HA ASP 14 HA ASP 14 -6.962 0.895 -0.394
108 1HB ASP 14 1HB ASP 14 -6.668 -0.903 1.195
109 2HB ASP 14 2HB ASP 14 -5.030 -0.484 1.469
110 H CYS 15 H CYS 15 -3.834 1.338 -1.352
111 HA CYS 15 HA CYS 15 -3.381 3.806 0.217
112 1HB CYS 15 1HB CYS 15 -1.687 2.508 -1.881
113 2HB CYS 15 2HB CYS 15 -1.222 3.881 -0.910
114 H CYS 16 H CYS 16 -2.996 5.780 -0.597
115 HA CYS 16 HA CYS 16 -4.687 6.690 -2.723
116 1HB CYS 16 1HB CYS 16 -2.329 8.085 -1.396
117 2HB CYS 16 2HB CYS 16 -3.650 8.855 -2.231
118 H SER 17 H SER 17 -1.420 5.770 -2.316
119 HA SER 17 HA SER 17 -0.432 6.597 -4.937
120 1HB SER 17 1HB SER 17 1.016 6.549 -2.870
121 2HB SER 17 2HB SER 17 0.823 4.794 -2.807
122 HG SER 17 HG SER 17 1.692 4.652 -4.876
123 H GLY 18 H GLY 18 -1.893 3.850 -3.462
124 1HA GLY 18 1HA GLY 18 -2.684 1.840 -4.338
125 2HA GLY 18 2HA GLY 18 -2.358 2.482 -5.947
126 H SER 19 H SER 19 0.156 2.382 -3.622
127 HA SER 19 HA SER 19 1.408 -0.032 -4.871
128 1HB SER 19 1HB SER 19 3.611 1.227 -4.700
129 2HB SER 19 2HB SER 19 2.464 2.084 -5.740
130 HG SER 19 HG SER 19 3.125 2.577 -3.045
131 H CYS 20 H CYS 20 -0.020 -0.540 -2.792
132 HA CYS 20 HA CYS 20 1.323 -0.122 -0.253
133 1HB CYS 20 1HB CYS 20 -1.117 -0.383 -0.418
134 2HB CYS 20 2HB CYS 20 -0.921 -1.994 -0.990
135 H GLY 21 H GLY 21 3.091 -1.049 0.274
136 1HA GLY 21 1HA GLY 21 4.222 -3.404 -0.882
137 2HA GLY 21 2HA GLY 21 4.806 -2.583 0.557
138 H ARG 22 H ARG 22 5.016 -5.145 0.437
139 HA ARG 22 HA ARG 22 2.872 -6.730 1.530
140 1HB ARG 22 1HB ARG 22 4.538 -8.512 1.817
141 2HB ARG 22 2HB ARG 22 4.662 -7.795 0.237
142 1HG ARG 22 1HG ARG 22 6.533 -7.194 2.561
143 2HG ARG 22 2HG ARG 22 6.877 -8.324 1.277
144 1HD ARG 22 1HD ARG 22 6.592 -5.288 0.965
145 2HD ARG 22 2HD ARG 22 8.037 -6.244 0.801
146 HE ARG 22 HE ARG 22 5.936 -5.989 -1.197
147 1HH1 ARG 22 1HH1 ARG 22 8.551 -7.933 -0.004
148 2HH1 ARG 22 2HH1 ARG 22 8.812 -8.708 -1.529
149 1HH2 ARG 22 1HH2 ARG 22 6.253 -6.962 -3.128
150 2HH2 ARG 22 2HH2 ARG 22 7.494 -8.154 -3.322
151 H ARG 23 H ARG 23 5.080 -4.599 3.002
152 HA ARG 23 HA ARG 23 5.037 -5.880 5.644
153 1HB ARG 23 1HB ARG 23 6.021 -3.770 6.530
154 2HB ARG 23 2HB ARG 23 6.968 -4.356 5.207
155 1HG ARG 23 1HG ARG 23 4.823 -2.205 4.894
156 2HG ARG 23 2HG ARG 23 6.458 -1.808 5.336
157 1HD ARG 23 1HD ARG 23 5.720 -3.144 2.667
158 2HD ARG 23 2HD ARG 23 5.963 -1.443 2.927
159 HE ARG 23 HE ARG 23 8.263 -1.777 3.116
160 1HH1 ARG 23 1HH1 ARG 23 6.642 -4.838 3.151
161 2HH1 ARG 23 2HH1 ARG 23 8.110 -5.734 2.975
162 1HH2 ARG 23 1HH2 ARG 23 10.111 -2.884 2.889
163 2HH2 ARG 23 2HH2 ARG 23 10.100 -4.614 2.822
164 H GLY 24 H GLY 24 2.777 -4.400 3.821
165 1HA GLY 24 1HA GLY 24 0.562 -3.874 4.377
166 2HA GLY 24 2HA GLY 24 0.988 -3.910 6.085
167 H LYS 25 H LYS 25 3.007 -2.067 3.975
168 HA LYS 25 HA LYS 25 1.690 0.474 4.919
169 1HB LYS 25 1HB LYS 25 4.665 0.088 4.368
170 2HB LYS 25 2HB LYS 25 3.904 1.536 4.947
171 1HG LYS 25 1HG LYS 25 3.916 -1.054 6.542
172 2HG LYS 25 2HG LYS 25 5.010 0.291 6.807
173 1HD LYS 25 1HD LYS 25 3.091 1.780 7.291
174 2HD LYS 25 2HD LYS 25 1.973 0.478 6.966
175 1HE LYS 25 1HE LYS 25 2.948 -0.814 8.864
176 2HE LYS 25 2HE LYS 25 4.046 0.524 9.189
177 1HZ LYS 25 1HZ LYS 25 1.316 1.349 8.975
178 2HZ LYS 25 2HZ LYS 25 1.567 0.223 10.220
179 3HZ LYS 25 3HZ LYS 25 2.460 1.667 10.190
180 H CYS 26 H CYS 26 2.016 2.272 3.550
181 HA CYS 26 HA CYS 26 1.624 1.525 0.741
182 1HB CYS 26 1HB CYS 26 1.485 4.153 2.144
183 2HB CYS 26 2HB CYS 26 1.087 3.919 0.460
184 1HN NH2 27 1HT NH2 27 2.599 2.831 -1.050
185 2HN NH2 27 2HT NH2 27 4.250 3.203 -0.966