Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20398 | 2fqa RC | 6952 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 1 1HT SER 1 -6.496 9.519 1.147
2 2H SER 1 2HT SER 1 -7.255 8.284 0.279
3 3H SER 1 3HT SER 1 -6.967 9.781 -0.455
4 HA SER 1 HA SER 1 -4.629 8.474 0.594
5 1HB SER 1 2HB SER 1 -6.169 7.368 -1.768
6 2HB SER 1 1HB SER 1 -4.544 6.872 -1.289
7 HG SER 1 HG SER 1 -5.316 5.832 0.407
8 H ALA 2 H ALA 2 -2.839 8.855 -0.875
9 HA ALA 2 HA ALA 2 -3.046 11.434 -2.118
10 1HB ALA 2 1HB ALA 2 -1.015 10.012 -0.930
11 2HB ALA 2 2HB ALA 2 -0.834 11.516 -1.833
12 3HB ALA 2 3HB ALA 2 -0.587 9.967 -2.640
13 H ILE 3 H ILE 3 -1.344 11.268 -4.255
14 HA ILE 3 HA ILE 3 -3.077 10.429 -6.322
15 HB ILE 3 HB ILE 3 -0.177 11.257 -6.507
16 1HG1 ILE 3 2HG1 ILE 3 -1.541 12.986 -5.441
17 2HG1 ILE 3 1HG1 ILE 3 -1.059 13.490 -7.057
18 1HG2 ILE 3 1HG2 ILE 3 -1.037 11.990 -8.848
19 2HG2 ILE 3 2HG2 ILE 3 -2.301 10.795 -8.559
20 3HG2 ILE 3 3HG2 ILE 3 -0.607 10.303 -8.565
21 1HD1 ILE 3 1HD1 ILE 3 -3.751 12.367 -6.312
22 2HD1 ILE 3 2HD1 ILE 3 -3.264 12.946 -7.905
23 3HD1 ILE 3 3HD1 ILE 3 -3.377 14.073 -6.553
24 H SER 4 H SER 4 -0.176 9.055 -4.879
25 HA SER 4 HA SER 4 0.208 7.033 -6.824
26 1HB SER 4 2HB SER 4 1.231 7.188 -3.991
27 2HB SER 4 1HB SER 4 1.883 6.218 -5.302
28 HG SER 4 HG SER 4 2.217 8.267 -6.421
29 H CYS 5 H CYS 5 -2.474 6.886 -5.985
30 HA CYS 5 HA CYS 5 -2.506 4.212 -4.834
31 1HB CYS 5 2HB CYS 5 -4.163 6.597 -4.034
32 2HB CYS 5 1HB CYS 5 -4.790 4.976 -3.853
33 H GLY 6 H GLY 6 -5.577 5.318 -5.290
34 1HA GLY 6 2HA GLY 6 -7.223 4.836 -6.800
35 2HA GLY 6 1HA GLY 6 -6.093 5.501 -7.960
36 H GLU 7 H GLU 7 -5.467 2.502 -6.201
37 HA GLU 7 HA GLU 7 -6.464 0.789 -8.257
38 1HB GLU 7 2HB GLU 7 -4.319 -0.048 -9.087
39 2HB GLU 7 1HB GLU 7 -4.491 1.666 -9.438
40 1HG GLU 7 2HG GLU 7 -2.883 2.282 -7.912
41 2HG GLU 7 1HG GLU 7 -3.078 0.816 -6.956
42 H THR 8 H THR 8 -5.236 -1.443 -8.006
43 HA THR 8 HA THR 8 -5.635 -2.271 -5.272
44 HB THR 8 HB THR 8 -4.918 -4.532 -6.237
45 HG1 THR 8 1HG THR 8 -4.015 -3.149 -8.177
46 1HG2 THR 8 1HG2 THR 8 -7.170 -4.579 -6.118
47 2HG2 THR 8 2HG2 THR 8 -7.090 -4.375 -7.869
48 3HG2 THR 8 3HG2 THR 8 -7.340 -2.974 -6.829
49 H CYS 9 H CYS 9 -3.844 -3.676 -4.212
50 HA CYS 9 HA CYS 9 -1.202 -3.022 -5.149
51 1HB CYS 9 2HB CYS 9 -1.967 -1.069 -3.746
52 2HB CYS 9 1HB CYS 9 -1.956 -2.168 -2.366
53 H PHE 10 H PHE 10 -0.452 -4.969 -5.222
54 HA PHE 10 HA PHE 10 -0.991 -6.896 -3.144
55 1HB PHE 10 2HB PHE 10 0.386 -7.026 -5.814
56 2HB PHE 10 1HB PHE 10 0.475 -8.354 -4.669
57 HD1 PHE 10 1HD PHE 10 -0.868 -10.089 -5.317
58 HD2 PHE 10 2HD PHE 10 -2.290 -6.108 -5.807
59 HE1 PHE 10 1HE PHE 10 -3.009 -10.960 -6.155
60 HE2 PHE 10 2HE PHE 10 -4.435 -6.973 -6.644
61 HZ PHE 10 HZ PHE 10 -4.797 -9.402 -6.819
62 H LYS 11 H LYS 11 0.338 -7.487 -1.621
63 HA LYS 11 HA LYS 11 2.090 -7.748 -0.253
64 1HB LYS 11 2HB LYS 11 3.322 -8.524 -2.236
65 2HB LYS 11 1HB LYS 11 3.793 -6.868 -2.588
66 1HG LYS 11 2HG LYS 11 5.595 -8.104 -1.510
67 2HG LYS 11 1HG LYS 11 5.048 -6.762 -0.507
68 1HD LYS 11 2HD LYS 11 3.601 -8.413 0.726
69 2HD LYS 11 1HD LYS 11 4.434 -9.691 -0.161
70 1HE LYS 11 2HE LYS 11 5.457 -9.406 2.010
71 2HE LYS 11 1HE LYS 11 6.579 -8.892 0.752
72 1HZ LYS 11 1HZ LYS 11 6.298 -7.415 2.803
73 2HZ LYS 11 2HZ LYS 11 4.830 -6.939 2.112
74 3HZ LYS 11 3HZ LYS 11 6.280 -6.666 1.285
75 H PHE 12 H PHE 12 3.955 -5.256 -1.788
76 HA PHE 12 HA PHE 12 2.969 -3.196 -0.006
77 1HB PHE 12 2HB PHE 12 4.649 -4.557 1.315
78 2HB PHE 12 1HB PHE 12 5.870 -4.027 0.165
79 HD1 PHE 12 1HD PHE 12 3.068 -2.204 1.818
80 HD2 PHE 12 2HD PHE 12 7.271 -2.554 1.247
81 HE1 PHE 12 1HE PHE 12 3.413 -0.157 3.136
82 HE2 PHE 12 2HE PHE 12 7.623 -0.506 2.566
83 HZ PHE 12 HZ PHE 12 5.693 0.694 3.513
84 H LYS 13 H LYS 13 2.527 -2.800 -2.423
85 HA LYS 13 HA LYS 13 4.827 -1.752 -3.825
86 1HB LYS 13 2HB LYS 13 3.064 -2.998 -5.045
87 2HB LYS 13 1HB LYS 13 1.913 -1.739 -4.638
88 1HG LYS 13 2HG LYS 13 4.388 -1.056 -6.169
89 2HG LYS 13 1HG LYS 13 3.012 -1.791 -6.989
90 1HD LYS 13 2HD LYS 13 2.852 0.726 -5.329
91 2HD LYS 13 1HD LYS 13 3.062 0.708 -7.079
92 1HE LYS 13 2HE LYS 13 0.756 -0.647 -5.700
93 2HE LYS 13 1HE LYS 13 0.696 1.037 -6.217
94 1HZ LYS 13 1HZ LYS 13 0.053 -1.133 -7.739
95 2HZ LYS 13 2HZ LYS 13 1.587 -0.701 -8.304
96 3HZ LYS 13 3HZ LYS 13 0.329 0.436 -8.311
97 H CYS 14 H CYS 14 1.968 -0.494 -2.230
98 HA CYS 14 HA CYS 14 2.731 2.241 -2.850
99 1HB CYS 14 2HB CYS 14 0.413 1.106 -1.281
100 2HB CYS 14 1HB CYS 14 0.678 2.825 -1.547
101 H TYR 15 H TYR 15 3.891 3.486 -1.575
102 HA TYR 15 HA TYR 15 3.887 3.138 1.297
103 1HB TYR 15 2HB TYR 15 6.487 3.253 1.241
104 2HB TYR 15 1HB TYR 15 5.697 1.701 0.993
105 HD1 TYR 15 1HD TYR 15 6.871 4.605 -1.074
106 HD2 TYR 15 2HD TYR 15 6.512 0.379 -0.693
107 HE1 TYR 15 1HE TYR 15 8.087 4.317 -3.191
108 HE2 TYR 15 2HE TYR 15 7.731 0.082 -2.807
109 HH TYR 15 HH TYR 15 8.345 1.229 -4.756
110 H THR 16 H THR 16 3.008 5.004 -0.680
111 HA THR 16 HA THR 16 4.674 7.372 -0.366
112 HB THR 16 HB THR 16 1.995 7.121 -1.758
113 HG1 THR 16 1HG THR 16 3.631 6.964 -3.649
114 1HG2 THR 16 1HG2 THR 16 3.110 8.918 -3.223
115 2HG2 THR 16 2HG2 THR 16 4.259 9.091 -1.896
116 3HG2 THR 16 3HG2 THR 16 2.543 9.394 -1.622
117 HA PRO 17 HA PRO 17 2.565 8.925 3.244
118 1HB PRO 17 2HB PRO 17 2.271 11.444 1.656
119 2HB PRO 17 1HB PRO 17 2.848 11.221 3.313
120 1HG PRO 17 2HG PRO 17 4.567 11.658 1.329
121 2HG PRO 17 1HG PRO 17 4.947 10.510 2.626
122 1HD PRO 17 2HD PRO 17 4.150 9.989 -0.193
123 2HD PRO 17 1HD PRO 17 5.212 9.050 0.875
124 H ARG 18 H ARG 18 0.581 8.318 3.680
125 HA ARG 18 HA ARG 18 -1.646 8.036 3.701
126 1HB ARG 18 2HB ARG 18 -1.654 10.517 3.606
127 2HB ARG 18 1HB ARG 18 -1.748 10.419 1.858
128 1HG ARG 18 2HG ARG 18 -3.921 10.878 2.951
129 2HG ARG 18 1HG ARG 18 -3.926 9.415 1.968
130 1HD ARG 18 2HD ARG 18 -3.384 9.295 4.916
131 2HD ARG 18 1HD ARG 18 -5.033 9.360 4.303
132 HE ARG 18 HE ARG 18 -3.739 7.309 2.929
133 1HH1 ARG 18 1HH1 ARG 18 -4.643 8.050 6.233
134 2HH1 ARG 18 2HH1 ARG 18 -4.816 6.391 6.694
135 1HH2 ARG 18 1HH2 ARG 18 -3.965 5.108 3.533
136 2HH2 ARG 18 2HH2 ARG 18 -4.423 4.719 5.162
137 H CYS 19 H CYS 19 -0.077 6.595 1.904
138 HA CYS 19 HA CYS 19 -2.111 5.595 0.131
139 1HB CYS 19 2HB CYS 19 0.215 7.114 -0.820
140 2HB CYS 19 1HB CYS 19 0.085 5.514 -1.535
141 H SER 20 H SER 20 -1.823 4.124 2.003
142 HA SER 20 HA SER 20 0.651 2.618 2.068
143 1HB SER 20 2HB SER 20 -1.320 1.499 3.798
144 2HB SER 20 1HB SER 20 0.133 2.403 4.223
145 HG SER 20 HG SER 20 -2.436 3.464 3.607
146 H CYS 21 H CYS 21 0.988 0.592 1.440
147 HA CYS 21 HA CYS 21 -0.974 -0.611 -0.291
148 1HB CYS 21 2HB CYS 21 1.487 -0.551 -0.804
149 2HB CYS 21 1HB CYS 21 1.742 -1.728 0.471
150 H SER 22 H SER 22 -2.618 -1.134 1.140
151 HA SER 22 HA SER 22 -2.054 -3.066 3.250
152 1HB SER 22 2HB SER 22 -3.570 -1.131 3.713
153 2HB SER 22 1HB SER 22 -4.672 -1.735 2.476
154 HG SER 22 HG SER 22 -4.935 -3.618 3.727
155 H TYR 23 H TYR 23 -1.393 -4.624 1.686
156 HA TYR 23 HA TYR 23 -2.432 -5.690 -0.481
157 1HB TYR 23 2HB TYR 23 -0.538 -6.679 0.670
158 2HB TYR 23 1HB TYR 23 -1.586 -7.272 1.952
159 HD1 TYR 23 1HD TYR 23 -1.816 -9.556 1.903
160 HD2 TYR 23 2HD TYR 23 -1.635 -7.455 -1.790
161 HE1 TYR 23 1HE TYR 23 -2.100 -11.675 0.690
162 HE2 TYR 23 2HE TYR 23 -1.921 -9.567 -3.013
163 HH TYR 23 HH TYR 23 -2.515 -12.607 -1.320
164 HA PRO 24 HA PRO 24 -3.246 -6.189 -1.789
165 1HB PRO 24 2HB PRO 24 -5.111 -6.985 -3.517
166 2HB PRO 24 1HB PRO 24 -4.221 -8.160 -2.542
167 1HG PRO 24 2HG PRO 24 -7.035 -7.307 -2.332
168 2HG PRO 24 1HG PRO 24 -6.263 -8.781 -1.730
169 1HD PRO 24 2HD PRO 24 -6.831 -6.297 -0.306
170 2HD PRO 24 1HD PRO 24 -6.280 -7.856 0.347
171 H VAL 25 H VAL 25 -4.579 -3.929 -0.387
172 HA VAL 25 HA VAL 25 -5.588 -2.550 -2.795
173 HB VAL 25 HB VAL 25 -6.762 -1.981 -0.094
174 1HG1 VAL 25 1HG1 VAL 25 -6.890 -0.430 -2.162
175 2HG1 VAL 25 2HG1 VAL 25 -8.339 -0.717 -1.197
176 3HG1 VAL 25 3HG1 VAL 25 -8.111 -1.573 -2.722
177 1HG2 VAL 25 1HG2 VAL 25 -7.115 -4.413 -1.341
178 2HG2 VAL 25 2HG2 VAL 25 -8.514 -3.477 -1.869
179 3HG2 VAL 25 3HG2 VAL 25 -8.198 -3.694 -0.147
180 H CYS 26 H CYS 26 -4.998 -0.465 -3.018
181 HA CYS 26 HA CYS 26 -2.912 0.507 -1.224
182 1HB CYS 26 2HB CYS 26 -2.576 0.443 -3.705
183 2HB CYS 26 1HB CYS 26 -3.867 1.627 -3.873
184 H LYS 27 H LYS 27 -3.408 1.934 0.348
185 HA LYS 27 HA LYS 27 -5.451 3.952 -0.106
186 1HB LYS 27 2HB LYS 27 -6.415 1.710 0.925
187 2HB LYS 27 1HB LYS 27 -5.713 2.342 2.407
188 1HG LYS 27 2HG LYS 27 -7.993 2.992 2.364
189 2HG LYS 27 1HG LYS 27 -7.032 4.437 2.036
190 1HD LYS 27 2HD LYS 27 -8.961 4.296 0.537
191 2HD LYS 27 1HD LYS 27 -7.444 4.176 -0.359
192 1HE LYS 27 2HE LYS 27 -7.707 1.676 -0.256
193 2HE LYS 27 1HE LYS 27 -9.327 1.946 0.385
194 1HZ LYS 27 1HZ LYS 27 -9.710 3.324 -1.676
195 2HZ LYS 27 2HZ LYS 27 -9.584 1.653 -1.909
196 3HZ LYS 27 3HZ LYS 27 -8.277 2.659 -2.285
Start of MODEL 2
1 1H SER 1 1HT SER 1 1.248 13.616 1.257
2 2H SER 1 2HT SER 1 2.036 13.606 -0.240
3 3H SER 1 3HT SER 1 0.708 12.586 0.026
4 HA SER 1 HA SER 1 -0.424 14.909 0.555
5 1HB SER 1 2HB SER 1 0.519 16.364 -1.417
6 2HB SER 1 1HB SER 1 1.367 16.348 0.131
7 HG SER 1 HG SER 1 2.686 16.006 -1.825
8 H ALA 2 H ALA 2 0.941 13.781 -2.555
9 HA ALA 2 HA ALA 2 -1.666 13.748 -3.762
10 1HB ALA 2 1HB ALA 2 1.089 13.530 -4.652
11 2HB ALA 2 2HB ALA 2 -0.334 14.110 -5.516
12 3HB ALA 2 3HB ALA 2 0.026 12.385 -5.468
13 H ILE 3 H ILE 3 -3.063 12.135 -3.598
14 HA ILE 3 HA ILE 3 -2.250 9.621 -2.468
15 HB ILE 3 HB ILE 3 -5.022 10.331 -3.422
16 1HG1 ILE 3 2HG1 ILE 3 -4.254 12.090 -1.895
17 2HG1 ILE 3 1HG1 ILE 3 -5.488 11.097 -1.127
18 1HG2 ILE 3 1HG2 ILE 3 -4.019 8.396 -1.331
19 2HG2 ILE 3 2HG2 ILE 3 -4.664 7.976 -2.917
20 3HG2 ILE 3 3HG2 ILE 3 -5.714 8.710 -1.705
21 1HD1 ILE 3 1HD1 ILE 3 -2.653 11.465 -0.442
22 2HD1 ILE 3 2HD1 ILE 3 -3.272 9.820 -0.295
23 3HD1 ILE 3 3HD1 ILE 3 -4.044 11.135 0.592
24 H SER 4 H SER 4 -0.881 9.572 -4.610
25 HA SER 4 HA SER 4 -2.214 8.692 -6.970
26 1HB SER 4 2HB SER 4 0.707 8.439 -6.242
27 2HB SER 4 1HB SER 4 -0.003 8.465 -7.850
28 HG SER 4 HG SER 4 0.514 10.518 -7.671
29 H CYS 5 H CYS 5 -3.254 7.064 -5.182
30 HA CYS 5 HA CYS 5 -2.007 4.491 -5.707
31 1HB CYS 5 2HB CYS 5 -3.099 5.503 -3.072
32 2HB CYS 5 1HB CYS 5 -2.588 3.854 -3.375
33 H GLY 6 H GLY 6 -4.487 4.107 -3.604
34 1HA GLY 6 2HA GLY 6 -6.741 3.667 -3.757
35 2HA GLY 6 1HA GLY 6 -6.745 4.478 -5.310
36 H GLU 7 H GLU 7 -4.691 2.678 -6.439
37 HA GLU 7 HA GLU 7 -6.504 0.652 -7.318
38 1HB GLU 7 2HB GLU 7 -4.141 -0.109 -8.424
39 2HB GLU 7 1HB GLU 7 -5.303 0.988 -9.148
40 1HG GLU 7 2HG GLU 7 -3.236 2.017 -9.356
41 2HG GLU 7 1HG GLU 7 -4.039 2.849 -8.043
42 H THR 8 H THR 8 -5.331 -1.566 -7.750
43 HA THR 8 HA THR 8 -5.209 -2.806 -5.175
44 HB THR 8 HB THR 8 -4.752 -4.893 -6.647
45 HG1 THR 8 1HG THR 8 -4.212 -3.400 -8.488
46 1HG2 THR 8 1HG2 THR 8 -7.312 -3.309 -6.893
47 2HG2 THR 8 2HG2 THR 8 -6.909 -4.467 -5.627
48 3HG2 THR 8 3HG2 THR 8 -7.143 -5.020 -7.285
49 H CYS 9 H CYS 9 -3.534 -3.893 -4.226
50 HA CYS 9 HA CYS 9 -0.934 -3.989 -5.463
51 1HB CYS 9 2HB CYS 9 -0.846 -1.765 -4.552
52 2HB CYS 9 1HB CYS 9 -1.508 -2.311 -3.018
53 H PHE 10 H PHE 10 -0.684 -6.095 -5.199
54 HA PHE 10 HA PHE 10 -1.486 -7.445 -2.770
55 1HB PHE 10 2HB PHE 10 -0.342 -8.454 -5.379
56 2HB PHE 10 1HB PHE 10 -0.789 -9.488 -4.038
57 HD1 PHE 10 1HD PHE 10 -2.385 -6.694 -5.955
58 HD2 PHE 10 2HD PHE 10 -2.758 -10.601 -4.311
59 HE1 PHE 10 1HE PHE 10 -4.677 -6.841 -6.835
60 HE2 PHE 10 2HE PHE 10 -5.051 -10.754 -5.187
61 HZ PHE 10 HZ PHE 10 -6.014 -8.873 -6.452
62 H LYS 11 H LYS 11 0.537 -5.769 -2.046
63 HA LYS 11 HA LYS 11 2.442 -7.503 -0.919
64 1HB LYS 11 2HB LYS 11 3.129 -7.254 -3.466
65 2HB LYS 11 1HB LYS 11 3.819 -5.738 -2.903
66 1HG LYS 11 2HG LYS 11 5.200 -6.925 -1.306
67 2HG LYS 11 1HG LYS 11 4.467 -8.458 -1.784
68 1HD LYS 11 2HD LYS 11 5.310 -8.041 -4.103
69 2HD LYS 11 1HD LYS 11 6.185 -6.644 -3.471
70 1HE LYS 11 2HE LYS 11 7.662 -8.561 -3.606
71 2HE LYS 11 1HE LYS 11 7.389 -8.122 -1.919
72 1HZ LYS 11 1HZ LYS 11 6.724 -10.188 -1.557
73 2HZ LYS 11 2HZ LYS 11 6.899 -10.583 -3.193
74 3HZ LYS 11 3HZ LYS 11 5.429 -9.968 -2.625
75 H PHE 12 H PHE 12 4.104 -4.766 -1.877
76 HA PHE 12 HA PHE 12 3.006 -2.936 0.057
77 1HB PHE 12 2HB PHE 12 5.234 -2.657 1.223
78 2HB PHE 12 1HB PHE 12 4.376 -4.144 1.592
79 HD1 PHE 12 1HD PHE 12 7.168 -2.735 -0.395
80 HD2 PHE 12 2HD PHE 12 5.370 -6.229 1.238
81 HE1 PHE 12 1HE PHE 12 9.178 -4.039 -0.975
82 HE2 PHE 12 2HE PHE 12 7.373 -7.538 0.661
83 HZ PHE 12 HZ PHE 12 9.280 -6.442 -0.447
84 H LYS 13 H LYS 13 2.915 -2.602 -2.521
85 HA LYS 13 HA LYS 13 5.247 -1.224 -3.494
86 1HB LYS 13 2HB LYS 13 4.274 -2.400 -5.219
87 2HB LYS 13 1HB LYS 13 2.644 -2.102 -4.644
88 1HG LYS 13 2HG LYS 13 4.173 0.216 -5.689
89 2HG LYS 13 1HG LYS 13 3.602 -0.989 -6.845
90 1HD LYS 13 2HD LYS 13 1.319 -0.715 -6.012
91 2HD LYS 13 1HD LYS 13 1.884 0.464 -4.829
92 1HE LYS 13 2HE LYS 13 2.645 1.906 -6.686
93 2HE LYS 13 1HE LYS 13 1.979 0.742 -7.831
94 1HZ LYS 13 1HZ LYS 13 0.227 1.833 -5.740
95 2HZ LYS 13 2HZ LYS 13 -0.171 1.295 -7.294
96 3HZ LYS 13 3HZ LYS 13 0.587 2.795 -7.081
97 H CYS 14 H CYS 14 2.128 -0.374 -2.193
98 HA CYS 14 HA CYS 14 2.558 2.417 -2.858
99 1HB CYS 14 2HB CYS 14 0.295 0.930 -1.553
100 2HB CYS 14 1HB CYS 14 0.362 2.689 -1.565
101 H TYR 15 H TYR 15 3.835 3.566 -1.673
102 HA TYR 15 HA TYR 15 3.643 3.451 1.228
103 1HB TYR 15 2HB TYR 15 6.220 3.631 1.280
104 2HB TYR 15 1HB TYR 15 5.500 2.050 1.019
105 HD1 TYR 15 1HD TYR 15 6.465 0.730 -0.590
106 HD2 TYR 15 2HD TYR 15 6.670 4.960 -1.044
107 HE1 TYR 15 1HE TYR 15 7.829 0.445 -2.617
108 HE2 TYR 15 2HE TYR 15 8.026 4.681 -3.076
109 HH TYR 15 HH TYR 15 8.474 1.609 -4.581
110 H THR 16 H THR 16 2.858 5.196 -1.000
111 HA THR 16 HA THR 16 4.441 7.563 -1.019
112 HB THR 16 HB THR 16 1.507 7.595 -1.637
113 HG1 THR 16 1HG THR 16 1.707 6.262 -3.334
114 1HG2 THR 16 1HG2 THR 16 3.989 8.752 -2.895
115 2HG2 THR 16 2HG2 THR 16 2.626 9.607 -2.174
116 3HG2 THR 16 3HG2 THR 16 2.424 8.763 -3.709
117 HA PRO 17 HA PRO 17 3.227 9.470 2.842
118 1HB PRO 17 2HB PRO 17 2.629 12.036 1.858
119 2HB PRO 17 1HB PRO 17 4.191 11.490 2.472
120 1HG PRO 17 2HG PRO 17 3.233 11.719 -0.338
121 2HG PRO 17 1HG PRO 17 4.858 11.974 0.323
122 1HD PRO 17 2HD PRO 17 4.246 9.762 -1.058
123 2HD PRO 17 1HD PRO 17 5.339 9.700 0.342
124 H ARG 18 H ARG 18 1.369 8.802 3.601
125 HA ARG 18 HA ARG 18 -0.804 8.724 4.184
126 1HB ARG 18 2HB ARG 18 -1.025 11.127 3.805
127 2HB ARG 18 1HB ARG 18 -1.233 10.854 2.084
128 1HG ARG 18 2HG ARG 18 -3.335 11.342 3.399
129 2HG ARG 18 1HG ARG 18 -3.380 9.893 2.397
130 1HD ARG 18 2HD ARG 18 -2.656 8.640 4.516
131 2HD ARG 18 1HD ARG 18 -3.102 10.108 5.383
132 HE ARG 18 HE ARG 18 -5.307 9.568 5.098
133 1HH1 ARG 18 1HH1 ARG 18 -3.448 7.627 2.829
134 2HH1 ARG 18 2HH1 ARG 18 -4.784 6.582 2.431
135 1HH2 ARG 18 1HH2 ARG 18 -7.065 8.204 4.524
136 2HH2 ARG 18 2HH2 ARG 18 -6.818 6.928 3.374
137 H CYS 19 H CYS 19 0.387 6.924 2.566
138 HA CYS 19 HA CYS 19 -1.886 5.740 1.263
139 1HB CYS 19 2HB CYS 19 -1.040 6.875 -0.655
140 2HB CYS 19 1HB CYS 19 0.622 6.448 -0.261
141 H SER 20 H SER 20 -1.869 3.595 1.563
142 HA SER 20 HA SER 20 0.681 2.307 2.205
143 1HB SER 20 2HB SER 20 -1.249 1.133 3.894
144 2HB SER 20 1HB SER 20 0.160 2.083 4.351
145 HG SER 20 HG SER 20 -1.959 3.593 3.481
146 H CYS 21 H CYS 21 0.931 0.379 1.353
147 HA CYS 21 HA CYS 21 -1.139 -0.628 -0.376
148 1HB CYS 21 2HB CYS 21 1.082 -0.807 -1.236
149 2HB CYS 21 1HB CYS 21 1.669 -1.609 0.214
150 H SER 22 H SER 22 -2.785 -1.184 0.956
151 HA SER 22 HA SER 22 -2.321 -3.183 3.027
152 1HB SER 22 2HB SER 22 -3.703 -1.365 3.768
153 2HB SER 22 1HB SER 22 -4.675 -1.419 2.300
154 HG SER 22 HG SER 22 -4.555 -3.524 4.204
155 H TYR 23 H TYR 23 -1.776 -4.809 1.557
156 HA TYR 23 HA TYR 23 -2.919 -5.603 -0.712
157 1HB TYR 23 2HB TYR 23 -2.030 -7.748 -0.409
158 2HB TYR 23 1HB TYR 23 -1.006 -6.708 0.571
159 HD1 TYR 23 1HD TYR 23 -3.607 -9.305 0.638
160 HD2 TYR 23 2HD TYR 23 -0.938 -6.944 2.968
161 HE1 TYR 23 1HE TYR 23 -4.007 -10.771 2.576
162 HE2 TYR 23 2HE TYR 23 -1.333 -8.401 4.909
163 HH TYR 23 HH TYR 23 -3.862 -10.540 5.117
164 HA PRO 24 HA PRO 24 -3.546 -6.398 -1.953
165 1HB PRO 24 2HB PRO 24 -5.325 -7.207 -3.740
166 2HB PRO 24 1HB PRO 24 -4.644 -8.350 -2.584
167 1HG PRO 24 2HG PRO 24 -7.357 -7.161 -2.677
168 2HG PRO 24 1HG PRO 24 -6.827 -8.702 -1.983
169 1HD PRO 24 2HD PRO 24 -7.231 -6.170 -0.641
170 2HD PRO 24 1HD PRO 24 -6.778 -7.735 0.070
171 H VAL 25 H VAL 25 -4.818 -3.940 -0.784
172 HA VAL 25 HA VAL 25 -5.239 -2.540 -3.324
173 HB VAL 25 HB VAL 25 -7.202 -1.977 -1.134
174 1HG1 VAL 25 1HG1 VAL 25 -7.580 -0.279 -2.509
175 2HG1 VAL 25 2HG1 VAL 25 -8.406 -1.455 -3.532
176 3HG1 VAL 25 3HG1 VAL 25 -6.718 -1.048 -3.842
177 1HG2 VAL 25 1HG2 VAL 25 -8.803 -3.469 -1.871
178 2HG2 VAL 25 2HG2 VAL 25 -7.326 -4.426 -2.003
179 3HG2 VAL 25 3HG2 VAL 25 -8.029 -3.685 -3.441
180 H CYS 26 H CYS 26 -4.501 -0.509 -3.295
181 HA CYS 26 HA CYS 26 -3.012 0.414 -1.031
182 1HB CYS 26 2HB CYS 26 -3.654 1.642 -3.715
183 2HB CYS 26 1HB CYS 26 -2.573 2.352 -2.534
184 H LYS 27 H LYS 27 -3.623 1.917 0.458
185 HA LYS 27 HA LYS 27 -6.121 3.372 0.005
186 1HB LYS 27 2HB LYS 27 -5.334 1.958 2.564
187 2HB LYS 27 1HB LYS 27 -6.789 2.895 2.306
188 1HG LYS 27 2HG LYS 27 -7.602 1.279 0.705
189 2HG LYS 27 1HG LYS 27 -6.097 0.368 0.832
190 1HD LYS 27 2HD LYS 27 -6.594 0.024 3.252
191 2HD LYS 27 1HD LYS 27 -8.162 0.790 2.989
192 1HE LYS 27 2HE LYS 27 -8.428 -1.604 2.918
193 2HE LYS 27 1HE LYS 27 -8.683 -0.943 1.304
194 1HZ LYS 27 1HZ LYS 27 -6.340 -2.444 2.323
195 2HZ LYS 27 2HZ LYS 27 -6.255 -1.515 0.908
196 3HZ LYS 27 3HZ LYS 27 -7.334 -2.813 1.003
Start of MODEL 3
1 1H SER 1 1HT SER 1 1.279 4.283 -8.148
2 2H SER 1 2HT SER 1 1.536 3.563 -9.656
3 3H SER 1 3HT SER 1 0.053 4.300 -9.319
4 HA SER 1 HA SER 1 2.221 5.449 -10.561
5 1HB SER 1 2HB SER 1 -0.171 6.733 -9.208
6 2HB SER 1 1HB SER 1 0.767 7.430 -10.530
7 HG SER 1 HG SER 1 -1.309 5.790 -10.694
8 H ALA 2 H ALA 2 1.751 8.149 -9.100
9 HA ALA 2 HA ALA 2 4.080 7.927 -7.388
10 1HB ALA 2 1HB ALA 2 3.750 9.878 -8.900
11 2HB ALA 2 2HB ALA 2 3.964 10.336 -7.210
12 3HB ALA 2 3HB ALA 2 2.354 10.348 -7.930
13 H ILE 3 H ILE 3 0.939 9.501 -6.884
14 HA ILE 3 HA ILE 3 0.986 8.761 -4.084
15 HB ILE 3 HB ILE 3 -1.156 10.359 -5.502
16 1HG1 ILE 3 2HG1 ILE 3 1.302 11.415 -4.082
17 2HG1 ILE 3 1HG1 ILE 3 1.080 11.400 -5.828
18 1HG2 ILE 3 1HG2 ILE 3 -1.791 9.506 -3.319
19 2HG2 ILE 3 2HG2 ILE 3 -1.569 11.255 -3.241
20 3HG2 ILE 3 3HG2 ILE 3 -0.325 10.179 -2.605
21 1HD1 ILE 3 1HD1 ILE 3 -0.955 12.759 -4.139
22 2HD1 ILE 3 2HD1 ILE 3 -0.431 13.114 -5.785
23 3HD1 ILE 3 3HD1 ILE 3 0.596 13.549 -4.419
24 H SER 4 H SER 4 0.931 6.536 -5.192
25 HA SER 4 HA SER 4 -1.313 5.510 -6.429
26 1HB SER 4 2HB SER 4 0.559 3.978 -4.638
27 2HB SER 4 1HB SER 4 -0.327 3.392 -6.041
28 HG SER 4 HG SER 4 2.061 4.702 -5.915
29 H CYS 5 H CYS 5 -3.264 5.309 -5.727
30 HA CYS 5 HA CYS 5 -3.848 4.114 -3.165
31 1HB CYS 5 2HB CYS 5 -4.350 6.943 -3.794
32 2HB CYS 5 1HB CYS 5 -5.753 6.077 -3.203
33 H GLY 6 H GLY 6 -4.983 5.511 -6.187
34 1HA GLY 6 2HA GLY 6 -7.399 3.932 -6.219
35 2HA GLY 6 1HA GLY 6 -6.831 5.001 -7.493
36 H GLU 7 H GLU 7 -5.226 2.246 -5.945
37 HA GLU 7 HA GLU 7 -5.574 0.574 -8.255
38 1HB GLU 7 2HB GLU 7 -3.210 0.277 -8.763
39 2HB GLU 7 1HB GLU 7 -3.679 1.950 -8.988
40 1HG GLU 7 2HG GLU 7 -2.771 2.309 -6.620
41 2HG GLU 7 1HG GLU 7 -1.998 0.743 -6.831
42 H THR 8 H THR 8 -4.840 -1.559 -7.903
43 HA THR 8 HA THR 8 -5.052 -2.319 -5.122
44 HB THR 8 HB THR 8 -4.969 -4.683 -6.191
45 HG1 THR 8 1HG THR 8 -5.689 -4.541 -8.444
46 1HG2 THR 8 1HG2 THR 8 -7.363 -4.461 -6.902
47 2HG2 THR 8 2HG2 THR 8 -7.201 -2.717 -6.693
48 3HG2 THR 8 3HG2 THR 8 -7.011 -3.791 -5.309
49 H CYS 9 H CYS 9 -3.616 -3.829 -4.097
50 HA CYS 9 HA CYS 9 -1.011 -4.226 -5.261
51 1HB CYS 9 2HB CYS 9 -0.691 -2.034 -4.329
52 2HB CYS 9 1HB CYS 9 -1.420 -2.526 -2.802
53 H PHE 10 H PHE 10 -0.984 -6.348 -4.991
54 HA PHE 10 HA PHE 10 -1.821 -7.540 -2.472
55 1HB PHE 10 2HB PHE 10 -1.073 -8.725 -5.150
56 2HB PHE 10 1HB PHE 10 -1.455 -9.687 -3.736
57 HD1 PHE 10 1HD PHE 10 -2.982 -6.784 -5.539
58 HD2 PHE 10 2HD PHE 10 -3.548 -10.596 -3.732
59 HE1 PHE 10 1HE PHE 10 -5.366 -6.708 -6.135
60 HE2 PHE 10 2HE PHE 10 -5.934 -10.525 -4.323
61 HZ PHE 10 HZ PHE 10 -6.846 -8.580 -5.528
62 H LYS 11 H LYS 11 0.545 -5.982 -2.330
63 HA LYS 11 HA LYS 11 2.350 -7.889 -1.206
64 1HB LYS 11 2HB LYS 11 2.742 -7.756 -3.838
65 2HB LYS 11 1HB LYS 11 3.658 -6.326 -3.388
66 1HG LYS 11 2HG LYS 11 5.258 -8.006 -3.439
67 2HG LYS 11 1HG LYS 11 4.865 -7.872 -1.724
68 1HD LYS 11 2HD LYS 11 3.530 -9.865 -3.543
69 2HD LYS 11 1HD LYS 11 5.026 -10.223 -2.684
70 1HE LYS 11 2HE LYS 11 3.997 -10.153 -0.605
71 2HE LYS 11 1HE LYS 11 2.641 -9.194 -1.198
72 1HZ LYS 11 1HZ LYS 11 1.640 -11.029 -2.134
73 2HZ LYS 11 2HZ LYS 11 2.294 -11.681 -0.716
74 3HZ LYS 11 3HZ LYS 11 3.072 -11.932 -2.197
75 H PHE 12 H PHE 12 4.183 -5.401 -2.430
76 HA PHE 12 HA PHE 12 3.552 -3.459 -0.336
77 1HB PHE 12 2HB PHE 12 6.300 -4.676 -0.751
78 2HB PHE 12 1HB PHE 12 5.975 -3.263 0.243
79 HD1 PHE 12 1HD PHE 12 5.471 -6.900 -0.061
80 HD2 PHE 12 2HD PHE 12 5.103 -3.472 2.436
81 HE1 PHE 12 1HE PHE 12 5.054 -8.359 1.875
82 HE2 PHE 12 2HE PHE 12 4.686 -4.926 4.376
83 HZ PHE 12 HZ PHE 12 4.662 -7.373 4.097
84 H LYS 13 H LYS 13 2.758 -2.811 -2.615
85 HA LYS 13 HA LYS 13 4.819 -1.750 -4.328
86 1HB LYS 13 2HB LYS 13 2.243 -2.721 -4.714
87 2HB LYS 13 1HB LYS 13 2.106 -0.995 -5.020
88 1HG LYS 13 2HG LYS 13 3.709 -1.094 -6.774
89 2HG LYS 13 1HG LYS 13 4.152 -2.753 -6.354
90 1HD LYS 13 2HD LYS 13 2.703 -2.721 -8.313
91 2HD LYS 13 1HD LYS 13 1.898 -3.505 -6.955
92 1HE LYS 13 2HE LYS 13 0.310 -2.075 -8.032
93 2HE LYS 13 1HE LYS 13 0.738 -1.347 -6.485
94 1HZ LYS 13 1HZ LYS 13 0.694 0.349 -8.153
95 2HZ LYS 13 2HZ LYS 13 1.729 -0.541 -9.162
96 3HZ LYS 13 3HZ LYS 13 2.310 0.090 -7.707
97 H CYS 14 H CYS 14 2.013 -0.397 -2.654
98 HA CYS 14 HA CYS 14 3.021 2.282 -3.098
99 1HB CYS 14 2HB CYS 14 0.492 1.408 -1.694
100 2HB CYS 14 1HB CYS 14 0.871 3.026 -2.283
101 H TYR 15 H TYR 15 3.669 3.697 -1.532
102 HA TYR 15 HA TYR 15 3.545 3.038 1.262
103 1HB TYR 15 2HB TYR 15 6.125 3.311 1.444
104 2HB TYR 15 1HB TYR 15 5.467 1.747 0.981
105 HD1 TYR 15 1HD TYR 15 6.478 0.658 -0.768
106 HD2 TYR 15 2HD TYR 15 6.631 4.911 -0.666
107 HE1 TYR 15 1HE TYR 15 7.885 0.652 -2.785
108 HE2 TYR 15 2HE TYR 15 8.034 4.914 -2.684
109 HH TYR 15 HH TYR 15 8.385 2.292 -4.684
110 H THR 16 H THR 16 2.694 5.065 -0.581
111 HA THR 16 HA THR 16 4.224 7.459 0.006
112 HB THR 16 HB THR 16 1.502 7.421 -1.274
113 HG1 THR 16 1HG THR 16 3.160 7.129 -3.245
114 1HG2 THR 16 1HG2 THR 16 2.491 9.590 -1.041
115 2HG2 THR 16 2HG2 THR 16 2.597 9.135 -2.742
116 3HG2 THR 16 3HG2 THR 16 4.023 9.024 -1.709
117 HA PRO 17 HA PRO 17 2.043 8.535 3.753
118 1HB PRO 17 2HB PRO 17 1.758 11.256 2.569
119 2HB PRO 17 1HB PRO 17 2.404 10.776 4.143
120 1HG PRO 17 2HG PRO 17 4.033 11.532 2.174
121 2HG PRO 17 1HG PRO 17 4.475 10.208 3.270
122 1HD PRO 17 2HD PRO 17 3.514 10.097 0.449
123 2HD PRO 17 1HD PRO 17 4.683 9.057 1.286
124 H ARG 18 H ARG 18 0.012 7.918 4.065
125 HA ARG 18 HA ARG 18 -2.238 7.741 3.997
126 1HB ARG 18 2HB ARG 18 -2.266 10.182 4.124
127 2HB ARG 18 1HB ARG 18 -2.081 10.293 2.384
128 1HG ARG 18 2HG ARG 18 -4.387 10.719 3.192
129 2HG ARG 18 1HG ARG 18 -4.270 9.402 2.024
130 1HD ARG 18 2HD ARG 18 -4.257 7.800 3.927
131 2HD ARG 18 1HD ARG 18 -4.533 9.155 5.018
132 HE ARG 18 HE ARG 18 -6.732 9.100 4.443
133 1HH1 ARG 18 1HH1 ARG 18 -4.932 7.407 1.940
134 2HH1 ARG 18 2HH1 ARG 18 -6.356 6.969 1.052
135 1HH2 ARG 18 1HH2 ARG 18 -8.601 8.509 3.263
136 2HH2 ARG 18 2HH2 ARG 18 -8.439 7.594 1.803
137 H CYS 19 H CYS 19 -0.357 6.772 1.818
138 HA CYS 19 HA CYS 19 -2.397 5.629 0.148
139 1HB CYS 19 2HB CYS 19 -0.396 7.614 -0.805
140 2HB CYS 19 1HB CYS 19 -0.736 6.237 -1.833
141 H SER 20 H SER 20 -1.312 4.097 1.863
142 HA SER 20 HA SER 20 1.164 2.974 0.779
143 1HB SER 20 2HB SER 20 1.176 3.508 3.163
144 2HB SER 20 1HB SER 20 -0.179 2.420 3.426
145 HG SER 20 HG SER 20 2.127 1.672 3.783
146 H CYS 21 H CYS 21 1.399 0.655 0.848
147 HA CYS 21 HA CYS 21 -0.831 -0.528 -0.546
148 1HB CYS 21 2HB CYS 21 1.290 -1.017 -1.493
149 2HB CYS 21 1HB CYS 21 1.953 -1.569 0.036
150 H SER 22 H SER 22 -2.403 -0.687 0.924
151 HA SER 22 HA SER 22 -2.013 -2.343 3.303
152 1HB SER 22 2HB SER 22 -3.272 -0.165 3.465
153 2HB SER 22 1HB SER 22 -4.466 -0.825 2.350
154 HG SER 22 HG SER 22 -4.759 -2.537 3.939
155 H TYR 23 H TYR 23 -1.535 -4.060 1.743
156 HA TYR 23 HA TYR 23 -2.876 -5.099 -0.251
157 1HB TYR 23 2HB TYR 23 -1.980 -7.206 0.198
158 2HB TYR 23 1HB TYR 23 -0.894 -6.095 1.013
159 HD1 TYR 23 1HD TYR 23 -3.500 -8.644 1.485
160 HD2 TYR 23 2HD TYR 23 -0.673 -6.107 3.405
161 HE1 TYR 23 1HE TYR 23 -3.777 -9.921 3.570
162 HE2 TYR 23 2HE TYR 23 -0.941 -7.378 5.496
163 HH TYR 23 HH TYR 23 -3.467 -9.740 5.880
164 HA PRO 24 HA PRO 24 -3.580 -6.070 -1.358
165 1HB PRO 24 2HB PRO 24 -5.496 -6.936 -2.962
166 2HB PRO 24 1HB PRO 24 -4.801 -8.002 -1.741
167 1HG PRO 24 2HG PRO 24 -7.447 -6.651 -1.781
168 2HG PRO 24 1HG PRO 24 -6.976 -8.185 -1.030
169 1HD PRO 24 2HD PRO 24 -7.174 -5.599 0.206
170 2HD PRO 24 1HD PRO 24 -6.679 -7.132 0.953
171 H VAL 25 H VAL 25 -4.671 -3.452 -0.355
172 HA VAL 25 HA VAL 25 -5.124 -2.249 -2.991
173 HB VAL 25 HB VAL 25 -6.930 -1.404 -0.742
174 1HG1 VAL 25 1HG1 VAL 25 -8.263 -0.825 -2.988
175 2HG1 VAL 25 2HG1 VAL 25 -6.608 -0.745 -3.595
176 3HG1 VAL 25 3HG1 VAL 25 -7.099 0.267 -2.237
177 1HG2 VAL 25 1HG2 VAL 25 -8.042 -3.339 -0.905
178 2HG2 VAL 25 2HG2 VAL 25 -7.221 -3.792 -2.398
179 3HG2 VAL 25 3HG2 VAL 25 -8.616 -2.715 -2.451
180 H CYS 26 H CYS 26 -4.397 -0.131 -3.126
181 HA CYS 26 HA CYS 26 -2.653 0.704 -0.998
182 1HB CYS 26 2HB CYS 26 -3.268 1.862 -3.718
183 2HB CYS 26 1HB CYS 26 -2.054 2.487 -2.618
184 H LYS 27 H LYS 27 -3.250 1.964 0.613
185 HA LYS 27 HA LYS 27 -5.073 4.178 0.218
186 1HB LYS 27 2HB LYS 27 -6.613 2.312 0.656
187 2HB LYS 27 1HB LYS 27 -5.713 1.879 2.097
188 1HG LYS 27 2HG LYS 27 -7.040 4.556 1.823
189 2HG LYS 27 1HG LYS 27 -7.924 3.133 2.368
190 1HD LYS 27 2HD LYS 27 -5.502 4.369 3.684
191 2HD LYS 27 1HD LYS 27 -7.161 4.418 4.277
192 1HE LYS 27 2HE LYS 27 -6.249 2.727 5.556
193 2HE LYS 27 1HE LYS 27 -6.972 1.822 4.230
194 1HZ LYS 27 1HZ LYS 27 -4.343 1.739 5.070
195 2HZ LYS 27 2HZ LYS 27 -4.298 2.560 3.589
196 3HZ LYS 27 3HZ LYS 27 -4.992 1.016 3.688
Start of MODEL 4
1 1H SER 1 1HT SER 1 0.845 15.512 -6.133
2 2H SER 1 2HT SER 1 -0.037 14.663 -7.303
3 3H SER 1 3HT SER 1 1.170 13.874 -6.413
4 HA SER 1 HA SER 1 -0.906 15.104 -4.832
5 1HB SER 1 2HB SER 1 -1.502 12.595 -6.414
6 2HB SER 1 1HB SER 1 -2.617 13.543 -5.424
7 HG SER 1 HG SER 1 -2.943 14.054 -7.589
8 H ALA 2 H ALA 2 -1.154 13.911 -2.890
9 HA ALA 2 HA ALA 2 1.126 12.271 -2.236
10 1HB ALA 2 1HB ALA 2 -1.045 13.610 -0.732
11 2HB ALA 2 2HB ALA 2 0.691 13.569 -0.426
12 3HB ALA 2 3HB ALA 2 -0.314 12.187 0.011
13 H ILE 3 H ILE 3 -2.397 11.816 -1.957
14 HA ILE 3 HA ILE 3 -2.131 8.998 -1.618
15 HB ILE 3 HB ILE 3 -3.882 10.220 -0.450
16 1HG1 ILE 3 2HG1 ILE 3 -5.807 8.762 -0.962
17 2HG1 ILE 3 1HG1 ILE 3 -5.028 8.269 -2.461
18 1HG2 ILE 3 1HG2 ILE 3 -4.572 11.122 -3.164
19 2HG2 ILE 3 2HG2 ILE 3 -4.720 11.947 -1.613
20 3HG2 ILE 3 3HG2 ILE 3 -5.930 10.761 -2.098
21 1HD1 ILE 3 1HD1 ILE 3 -4.492 7.449 0.316
22 2HD1 ILE 3 2HD1 ILE 3 -3.088 7.638 -0.734
23 3HD1 ILE 3 3HD1 ILE 3 -4.385 6.531 -1.186
24 H SER 4 H SER 4 -0.870 9.434 -3.910
25 HA SER 4 HA SER 4 -2.576 9.136 -6.203
26 1HB SER 4 2HB SER 4 0.420 8.791 -5.947
27 2HB SER 4 1HB SER 4 -0.494 9.017 -7.429
28 HG SER 4 HG SER 4 0.410 10.864 -5.663
29 H CYS 5 H CYS 5 -3.374 7.197 -4.607
30 HA CYS 5 HA CYS 5 -2.196 4.759 -5.712
31 1HB CYS 5 2HB CYS 5 -3.203 5.250 -2.904
32 2HB CYS 5 1HB CYS 5 -2.636 3.713 -3.524
33 H GLY 6 H GLY 6 -4.629 4.164 -3.502
34 1HA GLY 6 2HA GLY 6 -6.915 3.836 -3.655
35 2HA GLY 6 1HA GLY 6 -6.888 4.596 -5.235
36 H GLU 7 H GLU 7 -4.993 2.868 -6.464
37 HA GLU 7 HA GLU 7 -6.728 0.757 -7.254
38 1HB GLU 7 2HB GLU 7 -4.885 0.089 -8.739
39 2HB GLU 7 1HB GLU 7 -5.278 1.796 -8.866
40 1HG GLU 7 2HG GLU 7 -3.354 2.370 -7.515
41 2HG GLU 7 1HG GLU 7 -2.980 0.661 -7.290
42 H THR 8 H THR 8 -5.279 -1.394 -7.735
43 HA THR 8 HA THR 8 -5.235 -2.720 -5.201
44 HB THR 8 HB THR 8 -4.502 -4.697 -6.678
45 HG1 THR 8 1HG THR 8 -3.964 -2.958 -8.407
46 1HG2 THR 8 1HG2 THR 8 -6.685 -5.214 -6.800
47 2HG2 THR 8 2HG2 THR 8 -7.052 -3.807 -7.799
48 3HG2 THR 8 3HG2 THR 8 -6.961 -3.644 -6.044
49 H CYS 9 H CYS 9 -3.524 -3.911 -4.289
50 HA CYS 9 HA CYS 9 -0.818 -3.511 -5.268
51 1HB CYS 9 2HB CYS 9 -1.287 -1.509 -3.880
52 2HB CYS 9 1HB CYS 9 -1.650 -2.559 -2.519
53 H PHE 10 H PHE 10 -0.807 -5.772 -5.486
54 HA PHE 10 HA PHE 10 -1.444 -7.487 -3.283
55 1HB PHE 10 2HB PHE 10 -0.256 -7.984 -6.009
56 2HB PHE 10 1HB PHE 10 -0.523 -9.263 -4.839
57 HD1 PHE 10 1HD PHE 10 -2.398 -10.519 -5.174
58 HD2 PHE 10 2HD PHE 10 -2.475 -6.404 -6.258
59 HE1 PHE 10 1HE PHE 10 -4.709 -10.777 -5.980
60 HE2 PHE 10 2HE PHE 10 -4.786 -6.655 -7.062
61 HZ PHE 10 HZ PHE 10 -5.906 -8.843 -6.924
62 H LYS 11 H LYS 11 0.406 -5.846 -2.239
63 HA LYS 11 HA LYS 11 2.351 -7.542 -1.202
64 1HB LYS 11 2HB LYS 11 3.115 -6.943 -3.731
65 2HB LYS 11 1HB LYS 11 3.859 -5.606 -2.860
66 1HG LYS 11 2HG LYS 11 5.233 -7.012 -1.622
67 2HG LYS 11 1HG LYS 11 4.230 -8.428 -1.939
68 1HD LYS 11 2HD LYS 11 5.980 -6.976 -3.924
69 2HD LYS 11 1HD LYS 11 6.278 -8.568 -3.224
70 1HE LYS 11 2HE LYS 11 4.053 -7.777 -5.099
71 2HE LYS 11 1HE LYS 11 5.396 -8.869 -5.434
72 1HZ LYS 11 1HZ LYS 11 2.918 -9.353 -3.984
73 2HZ LYS 11 2HZ LYS 11 4.307 -10.072 -3.332
74 3HZ LYS 11 3HZ LYS 11 3.852 -10.410 -4.924
75 H PHE 12 H PHE 12 4.040 -4.763 -1.777
76 HA PHE 12 HA PHE 12 2.730 -3.061 0.157
77 1HB PHE 12 2HB PHE 12 4.934 -2.898 1.484
78 2HB PHE 12 1HB PHE 12 3.917 -4.304 1.765
79 HD1 PHE 12 1HD PHE 12 4.950 -6.338 1.876
80 HD2 PHE 12 2HD PHE 12 6.735 -3.271 -0.471
81 HE1 PHE 12 1HE PHE 12 6.853 -7.820 1.395
82 HE2 PHE 12 2HE PHE 12 8.640 -4.750 -0.962
83 HZ PHE 12 HZ PHE 12 8.700 -7.028 -0.028
84 H LYS 13 H LYS 13 3.029 -2.609 -2.480
85 HA LYS 13 HA LYS 13 5.438 -1.069 -2.898
86 1HB LYS 13 2HB LYS 13 4.685 -2.514 -4.694
87 2HB LYS 13 1HB LYS 13 3.140 -1.683 -4.752
88 1HG LYS 13 2HG LYS 13 4.696 -1.065 -6.579
89 2HG LYS 13 1HG LYS 13 4.155 0.302 -5.608
90 1HD LYS 13 2HD LYS 13 6.529 0.490 -6.080
91 2HD LYS 13 1HD LYS 13 6.269 0.234 -4.356
92 1HE LYS 13 2HE LYS 13 6.770 -2.169 -4.684
93 2HE LYS 13 1HE LYS 13 7.130 -1.832 -6.377
94 1HZ LYS 13 1HZ LYS 13 8.929 -1.772 -4.365
95 2HZ LYS 13 2HZ LYS 13 8.544 -0.130 -4.527
96 3HZ LYS 13 3HZ LYS 13 9.122 -1.003 -5.860
97 H CYS 14 H CYS 14 2.101 -0.413 -2.175
98 HA CYS 14 HA CYS 14 2.378 2.366 -2.938
99 1HB CYS 14 2HB CYS 14 0.132 0.751 -1.778
100 2HB CYS 14 1HB CYS 14 0.060 2.510 -1.786
101 H TYR 15 H TYR 15 4.262 2.548 -1.524
102 HA TYR 15 HA TYR 15 3.563 3.041 1.283
103 1HB TYR 15 2HB TYR 15 6.167 3.266 1.435
104 2HB TYR 15 1HB TYR 15 5.437 1.669 1.332
105 HD1 TYR 15 1HD TYR 15 6.520 4.290 -1.136
106 HD2 TYR 15 2HD TYR 15 6.609 0.198 0.031
107 HE1 TYR 15 1HE TYR 15 7.905 3.764 -3.100
108 HE2 TYR 15 2HE TYR 15 7.996 -0.336 -1.926
109 HH TYR 15 HH TYR 15 9.328 2.160 -3.974
110 H THR 16 H THR 16 2.903 4.677 -1.039
111 HA THR 16 HA THR 16 4.493 7.007 -1.186
112 HB THR 16 HB THR 16 1.584 7.213 -1.730
113 HG1 THR 16 1HG THR 16 1.532 5.650 -3.241
114 1HG2 THR 16 1HG2 THR 16 4.103 8.212 -2.795
115 2HG2 THR 16 2HG2 THR 16 2.478 8.885 -2.926
116 3HG2 THR 16 3HG2 THR 16 3.013 7.646 -4.062
117 HA PRO 17 HA PRO 17 3.439 9.194 2.546
118 1HB PRO 17 2HB PRO 17 3.059 11.565 0.779
119 2HB PRO 17 1HB PRO 17 4.054 11.390 2.230
120 1HG PRO 17 2HG PRO 17 5.172 11.416 -0.186
121 2HG PRO 17 1HG PRO 17 5.774 10.337 1.086
122 1HD PRO 17 2HD PRO 17 4.094 9.706 -1.300
123 2HD PRO 17 1HD PRO 17 5.366 8.739 -0.526
124 H ARG 18 H ARG 18 1.545 9.070 3.523
125 HA ARG 18 HA ARG 18 -0.644 9.230 4.053
126 1HB ARG 18 2HB ARG 18 -0.329 11.585 3.187
127 2HB ARG 18 1HB ARG 18 -0.945 11.022 1.646
128 1HG ARG 18 2HG ARG 18 -3.081 10.449 2.712
129 2HG ARG 18 1HG ARG 18 -2.450 11.011 4.262
130 1HD ARG 18 2HD ARG 18 -2.815 12.685 1.780
131 2HD ARG 18 1HD ARG 18 -3.864 12.695 3.195
132 HE ARG 18 HE ARG 18 -1.213 13.248 3.977
133 1HH1 ARG 18 1HH1 ARG 18 -3.906 14.708 2.295
134 2HH1 ARG 18 2HH1 ARG 18 -3.437 16.333 2.672
135 1HH2 ARG 18 1HH2 ARG 18 -0.578 15.395 4.486
136 2HH2 ARG 18 2HH2 ARG 18 -1.535 16.725 3.922
137 H CYS 19 H CYS 19 0.363 7.140 2.462
138 HA CYS 19 HA CYS 19 -2.095 6.111 1.338
139 1HB CYS 19 2HB CYS 19 -1.227 6.957 -0.690
140 2HB CYS 19 1HB CYS 19 0.424 6.530 -0.264
141 H SER 20 H SER 20 -2.251 3.917 1.647
142 HA SER 20 HA SER 20 0.173 2.563 2.620
143 1HB SER 20 2HB SER 20 -2.068 1.418 3.909
144 2HB SER 20 1HB SER 20 -0.735 2.316 4.631
145 HG SER 20 HG SER 20 -2.950 3.620 3.427
146 H CYS 21 H CYS 21 0.563 0.633 1.825
147 HA CYS 21 HA CYS 21 -1.306 -0.440 -0.124
148 1HB CYS 21 2HB CYS 21 0.930 -0.399 -0.936
149 2HB CYS 21 1HB CYS 21 1.572 -1.133 0.527
150 H SER 22 H SER 22 -2.932 -1.178 1.192
151 HA SER 22 HA SER 22 -2.295 -3.200 3.194
152 1HB SER 22 2HB SER 22 -3.966 -1.414 3.734
153 2HB SER 22 1HB SER 22 -4.976 -2.001 2.415
154 HG SER 22 HG SER 22 -5.197 -3.959 3.511
155 H TYR 23 H TYR 23 -1.544 -4.755 1.760
156 HA TYR 23 HA TYR 23 -2.475 -5.585 -0.598
157 1HB TYR 23 2HB TYR 23 -1.401 -7.640 -0.288
158 2HB TYR 23 1HB TYR 23 -0.547 -6.546 0.787
159 HD1 TYR 23 1HD TYR 23 -0.612 -6.857 3.175
160 HD2 TYR 23 2HD TYR 23 -2.892 -9.368 0.602
161 HE1 TYR 23 1HE TYR 23 -0.980 -8.419 5.038
162 HE2 TYR 23 2HE TYR 23 -3.270 -10.936 2.464
163 HH TYR 23 HH TYR 23 -3.275 -10.596 5.183
164 HA PRO 24 HA PRO 24 -2.988 -6.362 -1.900
165 1HB PRO 24 2HB PRO 24 -4.591 -7.285 -3.792
166 2HB PRO 24 1HB PRO 24 -3.855 -8.391 -2.632
167 1HG PRO 24 2HG PRO 24 -6.665 -7.471 -2.833
168 2HG PRO 24 1HG PRO 24 -6.019 -8.972 -2.149
169 1HD PRO 24 2HD PRO 24 -6.727 -6.523 -0.771
170 2HD PRO 24 1HD PRO 24 -6.172 -8.061 -0.075
171 H VAL 25 H VAL 25 -4.455 -4.033 -0.760
172 HA VAL 25 HA VAL 25 -5.013 -2.686 -3.309
173 HB VAL 25 HB VAL 25 -6.951 -2.178 -1.089
174 1HG1 VAL 25 1HG1 VAL 25 -6.661 -0.749 -3.178
175 2HG1 VAL 25 2HG1 VAL 25 -8.298 -1.238 -2.741
176 3HG1 VAL 25 3HG1 VAL 25 -7.446 -2.072 -4.041
177 1HG2 VAL 25 1HG2 VAL 25 -7.773 -4.254 -1.200
178 2HG2 VAL 25 2HG2 VAL 25 -6.838 -4.639 -2.645
179 3HG2 VAL 25 3HG2 VAL 25 -8.379 -3.794 -2.791
180 H CYS 26 H CYS 26 -4.545 -0.523 -3.319
181 HA CYS 26 HA CYS 26 -3.052 0.528 -1.077
182 1HB CYS 26 2HB CYS 26 -3.739 1.792 -3.737
183 2HB CYS 26 1HB CYS 26 -2.507 2.315 -2.612
184 H LYS 27 H LYS 27 -3.973 1.836 0.440
185 HA LYS 27 HA LYS 27 -6.274 3.457 -0.330
186 1HB LYS 27 2HB LYS 27 -6.127 1.617 2.063
187 2HB LYS 27 1HB LYS 27 -7.308 2.899 1.897
188 1HG LYS 27 2HG LYS 27 -7.010 0.479 0.139
189 2HG LYS 27 1HG LYS 27 -8.320 0.821 1.271
190 1HD LYS 27 2HD LYS 27 -9.135 2.598 -0.064
191 2HD LYS 27 1HD LYS 27 -7.676 2.619 -1.056
192 1HE LYS 27 2HE LYS 27 -8.335 0.192 -1.652
193 2HE LYS 27 1HE LYS 27 -9.928 0.649 -1.048
194 1HZ LYS 27 1HZ LYS 27 -9.534 2.669 -2.648
195 2HZ LYS 27 2HZ LYS 27 -10.139 1.203 -3.233
196 3HZ LYS 27 3HZ LYS 27 -8.499 1.580 -3.432
Start of MODEL 5
1 1H SER 1 1HT SER 1 0.175 6.718 -11.858
2 2H SER 1 2HT SER 1 1.327 5.484 -11.787
3 3H SER 1 3HT SER 1 1.750 7.061 -11.342
4 HA SER 1 HA SER 1 -0.481 6.005 -9.888
5 1HB SER 1 2HB SER 1 2.258 4.746 -9.593
6 2HB SER 1 1HB SER 1 0.839 4.400 -8.600
7 HG SER 1 HG SER 1 -0.210 3.612 -10.448
8 H ALA 2 H ALA 2 0.338 8.602 -10.107
9 HA ALA 2 HA ALA 2 2.302 9.430 -8.253
10 1HB ALA 2 1HB ALA 2 0.651 10.696 -10.081
11 2HB ALA 2 2HB ALA 2 1.770 11.488 -8.972
12 3HB ALA 2 3HB ALA 2 0.076 11.292 -8.523
13 H ILE 3 H ILE 3 -1.226 9.277 -8.017
14 HA ILE 3 HA ILE 3 -1.084 9.402 -5.127
15 HB ILE 3 HB ILE 3 -3.548 9.230 -6.879
16 1HG1 ILE 3 2HG1 ILE 3 -2.282 11.676 -5.616
17 2HG1 ILE 3 1HG1 ILE 3 -2.231 11.282 -7.330
18 1HG2 ILE 3 1HG2 ILE 3 -3.279 8.808 -4.165
19 2HG2 ILE 3 2HG2 ILE 3 -4.773 9.220 -5.008
20 3HG2 ILE 3 3HG2 ILE 3 -3.800 10.490 -4.267
21 1HD1 ILE 3 1HD1 ILE 3 -3.917 12.991 -6.728
22 2HD1 ILE 3 2HD1 ILE 3 -4.763 11.768 -5.780
23 3HD1 ILE 3 3HD1 ILE 3 -4.598 11.572 -7.526
24 H SER 4 H SER 4 0.013 7.398 -4.980
25 HA SER 4 HA SER 4 -0.840 4.970 -6.061
26 1HB SER 4 2HB SER 4 0.680 5.168 -3.485
27 2HB SER 4 1HB SER 4 0.897 4.051 -4.829
28 HG SER 4 HG SER 4 1.488 6.056 -6.051
29 H CYS 5 H CYS 5 -3.199 5.597 -5.353
30 HA CYS 5 HA CYS 5 -3.822 4.005 -2.972
31 1HB CYS 5 2HB CYS 5 -4.710 6.755 -3.702
32 2HB CYS 5 1HB CYS 5 -5.841 5.703 -2.878
33 H GLY 6 H GLY 6 -4.996 5.440 -5.962
34 1HA GLY 6 2HA GLY 6 -7.389 4.010 -6.204
35 2HA GLY 6 1HA GLY 6 -6.495 4.721 -7.539
36 H GLU 7 H GLU 7 -4.100 3.099 -7.033
37 HA GLU 7 HA GLU 7 -4.918 0.806 -8.556
38 1HB GLU 7 2HB GLU 7 -2.214 1.511 -7.428
39 2HB GLU 7 1HB GLU 7 -2.539 0.209 -8.560
40 1HG GLU 7 2HG GLU 7 -1.917 1.715 -10.061
41 2HG GLU 7 1HG GLU 7 -3.578 2.273 -9.915
42 H THR 8 H THR 8 -4.642 -1.336 -8.032
43 HA THR 8 HA THR 8 -5.091 -1.983 -5.250
44 HB THR 8 HB THR 8 -5.075 -4.385 -6.237
45 HG1 THR 8 1HG THR 8 -5.695 -4.082 -8.619
46 1HG2 THR 8 1HG2 THR 8 -7.272 -4.071 -6.038
47 2HG2 THR 8 2HG2 THR 8 -7.301 -3.314 -7.630
48 3HG2 THR 8 3HG2 THR 8 -7.053 -2.327 -6.189
49 H CYS 9 H CYS 9 -3.734 -3.640 -4.136
50 HA CYS 9 HA CYS 9 -1.082 -4.025 -5.201
51 1HB CYS 9 2HB CYS 9 -1.007 -1.773 -4.190
52 2HB CYS 9 1HB CYS 9 -1.483 -2.474 -2.647
53 H PHE 10 H PHE 10 -1.156 -6.179 -4.977
54 HA PHE 10 HA PHE 10 -2.024 -7.374 -2.472
55 1HB PHE 10 2HB PHE 10 -1.259 -8.547 -5.149
56 2HB PHE 10 1HB PHE 10 -1.680 -9.516 -3.752
57 HD1 PHE 10 1HD PHE 10 -3.779 -10.405 -3.825
58 HD2 PHE 10 2HD PHE 10 -3.136 -6.554 -5.520
59 HE1 PHE 10 1HE PHE 10 -6.151 -10.296 -4.472
60 HE2 PHE 10 2HE PHE 10 -5.506 -6.437 -6.164
61 HZ PHE 10 HZ PHE 10 -7.017 -8.310 -5.641
62 H LYS 11 H LYS 11 0.444 -5.859 -2.432
63 HA LYS 11 HA LYS 11 2.184 -7.826 -1.253
64 1HB LYS 11 2HB LYS 11 2.951 -6.468 -3.828
65 2HB LYS 11 1HB LYS 11 4.182 -6.933 -2.666
66 1HG LYS 11 2HG LYS 11 2.217 -8.799 -3.978
67 2HG LYS 11 1HG LYS 11 3.913 -8.600 -4.424
68 1HD LYS 11 2HD LYS 11 4.653 -9.499 -2.355
69 2HD LYS 11 1HD LYS 11 3.034 -9.412 -1.661
70 1HE LYS 11 2HE LYS 11 3.602 -11.703 -2.260
71 2HE LYS 11 1HE LYS 11 2.261 -11.109 -3.238
72 1HZ LYS 11 1HZ LYS 11 4.124 -12.379 -4.399
73 2HZ LYS 11 2HZ LYS 11 5.043 -10.971 -4.218
74 3HZ LYS 11 3HZ LYS 11 3.604 -10.932 -5.107
75 H PHE 12 H PHE 12 3.961 -5.217 -2.418
76 HA PHE 12 HA PHE 12 3.265 -3.337 -0.328
77 1HB PHE 12 2HB PHE 12 4.860 -4.959 0.752
78 2HB PHE 12 1HB PHE 12 6.068 -4.483 -0.436
79 HD1 PHE 12 1HD PHE 12 7.712 -3.368 0.752
80 HD2 PHE 12 2HD PHE 12 3.626 -2.407 1.459
81 HE1 PHE 12 1HE PHE 12 8.404 -1.500 2.198
82 HE2 PHE 12 2HE PHE 12 4.311 -0.538 2.905
83 HZ PHE 12 HZ PHE 12 6.703 -0.083 3.275
84 H LYS 13 H LYS 13 2.804 -2.788 -2.792
85 HA LYS 13 HA LYS 13 5.106 -1.619 -4.088
86 1HB LYS 13 2HB LYS 13 3.627 -2.793 -5.538
87 2HB LYS 13 1HB LYS 13 2.228 -1.941 -4.910
88 1HG LYS 13 2HG LYS 13 4.259 -0.213 -6.130
89 2HG LYS 13 1HG LYS 13 3.494 -1.356 -7.236
90 1HD LYS 13 2HD LYS 13 2.026 0.565 -5.425
91 2HD LYS 13 1HD LYS 13 2.313 0.811 -7.149
92 1HE LYS 13 2HE LYS 13 0.998 -1.145 -7.687
93 2HE LYS 13 1HE LYS 13 0.801 -1.522 -5.977
94 1HZ LYS 13 1HZ LYS 13 -1.175 -0.470 -6.775
95 2HZ LYS 13 2HZ LYS 13 -0.302 0.832 -7.414
96 3HZ LYS 13 3HZ LYS 13 -0.392 0.616 -5.738
97 H CYS 14 H CYS 14 2.110 -0.497 -2.607
98 HA CYS 14 HA CYS 14 2.857 2.267 -3.099
99 1HB CYS 14 2HB CYS 14 0.445 1.080 -1.712
100 2HB CYS 14 1HB CYS 14 0.693 2.800 -1.990
101 H TYR 15 H TYR 15 3.618 3.664 -1.607
102 HA TYR 15 HA TYR 15 3.541 3.092 1.207
103 1HB TYR 15 2HB TYR 15 6.135 3.384 1.316
104 2HB TYR 15 1HB TYR 15 5.456 1.800 0.966
105 HD1 TYR 15 1HD TYR 15 6.462 0.599 -0.707
106 HD2 TYR 15 2HD TYR 15 6.543 4.851 -0.930
107 HE1 TYR 15 1HE TYR 15 7.820 0.464 -2.753
108 HE2 TYR 15 2HE TYR 15 7.895 4.722 -2.981
109 HH TYR 15 HH TYR 15 8.255 1.944 -4.774
110 H THR 16 H THR 16 2.642 5.030 -0.669
111 HA THR 16 HA THR 16 4.150 7.462 -0.188
112 HB THR 16 HB THR 16 1.440 7.335 -1.491
113 HG1 THR 16 1HG THR 16 2.510 6.660 -3.441
114 1HG2 THR 16 1HG2 THR 16 3.950 8.953 -1.887
115 2HG2 THR 16 2HG2 THR 16 2.339 9.521 -1.451
116 3HG2 THR 16 3HG2 THR 16 2.653 8.928 -3.081
117 HA PRO 17 HA PRO 17 1.979 8.692 3.511
118 1HB PRO 17 2HB PRO 17 1.470 11.285 2.121
119 2HB PRO 17 1HB PRO 17 2.146 10.984 3.725
120 1HG PRO 17 2HG PRO 17 3.728 11.682 1.704
121 2HG PRO 17 1HG PRO 17 4.248 10.468 2.887
122 1HD PRO 17 2HD PRO 17 3.301 10.102 0.084
123 2HD PRO 17 1HD PRO 17 4.522 9.189 0.992
124 H ARG 18 H ARG 18 0.071 7.809 3.855
125 HA ARG 18 HA ARG 18 -2.119 7.330 3.875
126 1HB ARG 18 2HB ARG 18 -2.343 9.772 4.211
127 2HB ARG 18 1HB ARG 18 -2.465 9.981 2.475
128 1HG ARG 18 2HG ARG 18 -4.611 9.927 3.959
129 2HG ARG 18 1HG ARG 18 -4.602 9.135 2.383
130 1HD ARG 18 2HD ARG 18 -5.632 7.710 4.074
131 2HD ARG 18 1HD ARG 18 -4.146 6.989 3.459
132 HE ARG 18 HE ARG 18 -3.949 8.522 5.925
133 1HH1 ARG 18 1HH1 ARG 18 -4.068 5.400 4.329
134 2HH1 ARG 18 2HH1 ARG 18 -3.569 4.523 5.748
135 1HH2 ARG 18 1HH2 ARG 18 -3.297 7.357 7.800
136 2HH2 ARG 18 2HH2 ARG 18 -3.140 5.634 7.720
137 H CYS 19 H CYS 19 -0.416 6.511 1.738
138 HA CYS 19 HA CYS 19 -2.398 5.454 -0.048
139 1HB CYS 19 2HB CYS 19 -0.314 7.419 -0.867
140 2HB CYS 19 1HB CYS 19 -0.573 6.039 -1.915
141 H SER 20 H SER 20 -1.347 4.109 1.866
142 HA SER 20 HA SER 20 1.154 2.860 1.066
143 1HB SER 20 2HB SER 20 0.459 1.578 3.345
144 2HB SER 20 1HB SER 20 1.360 3.092 3.304
145 HG SER 20 HG SER 20 -1.466 3.145 3.295
146 H CYS 21 H CYS 21 1.421 0.631 0.858
147 HA CYS 21 HA CYS 21 -0.781 -0.611 -0.494
148 1HB CYS 21 2HB CYS 21 1.417 -0.893 -1.422
149 2HB CYS 21 1HB CYS 21 2.032 -1.578 0.073
150 H SER 22 H SER 22 -2.301 -0.827 1.174
151 HA SER 22 HA SER 22 -1.677 -2.703 3.313
152 1HB SER 22 2HB SER 22 -4.230 -2.069 3.767
153 2HB SER 22 1HB SER 22 -2.926 -1.001 4.277
154 HG SER 22 HG SER 22 -4.174 -0.770 1.742
155 H TYR 23 H TYR 23 -1.364 -4.390 1.794
156 HA TYR 23 HA TYR 23 -2.803 -5.249 -0.249
157 1HB TYR 23 2HB TYR 23 -1.953 -7.407 0.033
158 2HB TYR 23 1HB TYR 23 -0.796 -6.377 0.860
159 HD1 TYR 23 1HD TYR 23 -0.442 -6.572 3.228
160 HD2 TYR 23 2HD TYR 23 -3.482 -8.849 1.307
161 HE1 TYR 23 1HE TYR 23 -0.647 -7.976 5.235
162 HE2 TYR 23 2HE TYR 23 -3.701 -10.256 3.316
163 HH TYR 23 HH TYR 23 -3.162 -9.828 5.931
164 HA PRO 24 HA PRO 24 -3.606 -6.074 -1.389
165 1HB PRO 24 2HB PRO 24 -5.615 -6.844 -2.926
166 2HB PRO 24 1HB PRO 24 -4.863 -7.983 -1.810
167 1HG PRO 24 2HG PRO 24 -7.500 -6.635 -1.634
168 2HG PRO 24 1HG PRO 24 -6.989 -8.195 -0.971
169 1HD PRO 24 2HD PRO 24 -7.096 -5.638 0.361
170 2HD PRO 24 1HD PRO 24 -6.618 -7.211 1.038
171 H VAL 25 H VAL 25 -4.615 -3.514 -0.178
172 HA VAL 25 HA VAL 25 -5.335 -2.210 -2.714
173 HB VAL 25 HB VAL 25 -6.822 -1.460 -0.208
174 1HG1 VAL 25 1HG1 VAL 25 -7.725 -0.985 -3.016
175 2HG1 VAL 25 2HG1 VAL 25 -6.535 0.075 -2.258
176 3HG1 VAL 25 3HG1 VAL 25 -8.137 -0.106 -1.543
177 1HG2 VAL 25 1HG2 VAL 25 -8.175 -3.211 -0.365
178 2HG2 VAL 25 2HG2 VAL 25 -7.265 -3.817 -1.750
179 3HG2 VAL 25 3HG2 VAL 25 -8.614 -2.708 -1.998
180 H CYS 26 H CYS 26 -4.649 -0.100 -2.885
181 HA CYS 26 HA CYS 26 -2.636 0.740 -0.982
182 1HB CYS 26 2HB CYS 26 -3.551 1.719 -3.688
183 2HB CYS 26 1HB CYS 26 -2.317 2.540 -2.764
184 H LYS 27 H LYS 27 -3.281 1.920 0.768
185 HA LYS 27 HA LYS 27 -5.056 4.182 0.375
186 1HB LYS 27 2HB LYS 27 -6.532 2.186 0.815
187 2HB LYS 27 1HB LYS 27 -5.775 2.053 2.396
188 1HG LYS 27 2HG LYS 27 -6.566 4.337 2.919
189 2HG LYS 27 1HG LYS 27 -7.411 4.360 1.370
190 1HD LYS 27 2HD LYS 27 -8.711 2.401 2.062
191 2HD LYS 27 1HD LYS 27 -7.872 2.402 3.615
192 1HE LYS 27 2HE LYS 27 -8.760 4.637 4.085
193 2HE LYS 27 1HE LYS 27 -9.605 4.623 2.538
194 1HZ LYS 27 1HZ LYS 27 -10.094 2.842 4.859
195 2HZ LYS 27 2HZ LYS 27 -10.802 2.619 3.340
196 3HZ LYS 27 3HZ LYS 27 -11.140 4.016 4.232
Start of MODEL 6
1 1H SER 1 1HT SER 1 0.161 7.716 -11.826
2 2H SER 1 2HT SER 1 1.520 7.484 -10.839
3 3H SER 1 3HT SER 1 1.479 8.775 -11.933
4 HA SER 1 HA SER 1 0.158 10.046 -10.640
5 1HB SER 1 2HB SER 1 -0.902 7.580 -9.252
6 2HB SER 1 1HB SER 1 -1.669 9.162 -9.398
7 HG SER 1 HG SER 1 -2.292 7.250 -10.862
8 H ALA 2 H ALA 2 0.681 11.011 -8.610
9 HA ALA 2 HA ALA 2 3.032 10.009 -7.337
10 1HB ALA 2 1HB ALA 2 1.148 12.252 -6.615
11 2HB ALA 2 2HB ALA 2 2.746 12.375 -7.351
12 3HB ALA 2 3HB ALA 2 2.587 11.853 -5.674
13 H ILE 3 H ILE 3 -0.310 10.441 -6.215
14 HA ILE 3 HA ILE 3 0.171 8.636 -4.006
15 HB ILE 3 HB ILE 3 -2.370 10.134 -4.654
16 1HG1 ILE 3 2HG1 ILE 3 -0.569 11.748 -4.305
17 2HG1 ILE 3 1HG1 ILE 3 -1.667 11.764 -2.930
18 1HG2 ILE 3 1HG2 ILE 3 -1.422 8.816 -2.113
19 2HG2 ILE 3 2HG2 ILE 3 -2.704 8.240 -3.178
20 3HG2 ILE 3 3HG2 ILE 3 -2.908 9.749 -2.289
21 1HD1 ILE 3 1HD1 ILE 3 0.222 9.945 -2.154
22 2HD1 ILE 3 2HD1 ILE 3 0.172 11.646 -1.690
23 3HD1 ILE 3 3HD1 ILE 3 1.168 11.133 -3.053
24 H SER 4 H SER 4 0.472 6.833 -5.513
25 HA SER 4 HA SER 4 -1.629 5.926 -7.186
26 1HB SER 4 2HB SER 4 0.892 4.635 -6.149
27 2HB SER 4 1HB SER 4 -0.189 3.863 -7.297
28 HG SER 4 HG SER 4 0.812 4.929 -8.768
29 H CYS 5 H CYS 5 -3.001 6.270 -4.959
30 HA CYS 5 HA CYS 5 -3.105 3.771 -3.473
31 1HB CYS 5 2HB CYS 5 -3.937 6.511 -3.014
32 2HB CYS 5 1HB CYS 5 -5.186 5.348 -2.584
33 H GLY 6 H GLY 6 -4.914 5.536 -5.849
34 1HA GLY 6 2HA GLY 6 -7.303 3.977 -5.688
35 2HA GLY 6 1HA GLY 6 -6.872 5.083 -6.981
36 H GLU 7 H GLU 7 -5.158 2.217 -5.835
37 HA GLU 7 HA GLU 7 -5.969 0.619 -8.065
38 1HB GLU 7 2HB GLU 7 -3.634 0.284 -8.915
39 2HB GLU 7 1HB GLU 7 -4.324 1.862 -9.256
40 1HG GLU 7 2HG GLU 7 -3.053 2.278 -6.878
41 2HG GLU 7 1HG GLU 7 -1.994 1.130 -7.689
42 H THR 8 H THR 8 -5.162 -1.560 -7.916
43 HA THR 8 HA THR 8 -5.112 -2.451 -5.214
44 HB THR 8 HB THR 8 -4.806 -4.736 -6.337
45 HG1 THR 8 1HG THR 8 -4.028 -3.484 -8.339
46 1HG2 THR 8 1HG2 THR 8 -7.123 -2.881 -6.730
47 2HG2 THR 8 2HG2 THR 8 -6.978 -4.277 -5.663
48 3HG2 THR 8 3HG2 THR 8 -7.177 -4.512 -7.399
49 H CYS 9 H CYS 9 -3.567 -3.748 -4.183
50 HA CYS 9 HA CYS 9 -0.888 -3.944 -5.275
51 1HB CYS 9 2HB CYS 9 -0.866 -1.727 -4.250
52 2HB CYS 9 1HB CYS 9 -1.509 -2.388 -2.754
53 H PHE 10 H PHE 10 -1.024 -6.132 -5.137
54 HA PHE 10 HA PHE 10 -2.052 -7.528 -2.890
55 1HB PHE 10 2HB PHE 10 -0.516 -8.388 -5.332
56 2HB PHE 10 1HB PHE 10 -0.993 -9.521 -4.079
57 HD1 PHE 10 1HD PHE 10 -2.809 -10.781 -4.623
58 HD2 PHE 10 2HD PHE 10 -2.659 -6.738 -5.944
59 HE1 PHE 10 1HE PHE 10 -5.008 -11.052 -5.691
60 HE2 PHE 10 2HE PHE 10 -4.859 -7.002 -7.014
61 HZ PHE 10 HZ PHE 10 -6.036 -9.161 -6.888
62 H LYS 11 H LYS 11 1.127 -6.413 -3.763
63 HA LYS 11 HA LYS 11 2.286 -7.979 -1.571
64 1HB LYS 11 2HB LYS 11 3.601 -6.541 -3.878
65 2HB LYS 11 1HB LYS 11 4.486 -7.319 -2.571
66 1HG LYS 11 2HG LYS 11 2.606 -8.695 -4.483
67 2HG LYS 11 1HG LYS 11 4.369 -8.734 -4.557
68 1HD LYS 11 2HD LYS 11 4.425 -9.808 -2.346
69 2HD LYS 11 1HD LYS 11 2.661 -9.788 -2.300
70 1HE LYS 11 2HE LYS 11 3.453 -11.979 -2.967
71 2HE LYS 11 1HE LYS 11 2.610 -11.206 -4.309
72 1HZ LYS 11 1HZ LYS 11 4.688 -12.311 -4.977
73 2HZ LYS 11 2HZ LYS 11 5.562 -11.259 -3.981
74 3HZ LYS 11 3HZ LYS 11 4.707 -10.652 -5.308
75 H PHE 12 H PHE 12 4.176 -5.317 -2.421
76 HA PHE 12 HA PHE 12 2.993 -3.483 -0.536
77 1HB PHE 12 2HB PHE 12 4.372 -4.994 0.892
78 2HB PHE 12 1HB PHE 12 5.789 -4.543 -0.052
79 HD1 PHE 12 1HD PHE 12 2.985 -2.482 1.260
80 HD2 PHE 12 2HD PHE 12 7.160 -3.306 1.351
81 HE1 PHE 12 1HE PHE 12 3.331 -0.541 2.728
82 HE2 PHE 12 2HE PHE 12 7.513 -1.365 2.823
83 HZ PHE 12 HZ PHE 12 5.595 0.020 3.514
84 H LYS 13 H LYS 13 2.838 -2.036 -2.209
85 HA LYS 13 HA LYS 13 5.409 -1.005 -3.152
86 1HB LYS 13 2HB LYS 13 4.322 -2.319 -4.937
87 2HB LYS 13 1HB LYS 13 2.933 -1.247 -4.858
88 1HG LYS 13 2HG LYS 13 4.578 -0.827 -6.726
89 2HG LYS 13 1HG LYS 13 4.147 0.567 -5.738
90 1HD LYS 13 2HD LYS 13 6.559 0.478 -6.209
91 2HD LYS 13 1HD LYS 13 6.216 0.355 -4.484
92 1HE LYS 13 2HE LYS 13 6.376 -2.164 -4.791
93 2HE LYS 13 1HE LYS 13 7.060 -1.821 -6.379
94 1HZ LYS 13 1HZ LYS 13 8.450 -1.983 -4.051
95 2HZ LYS 13 2HZ LYS 13 8.302 -0.309 -4.279
96 3HZ LYS 13 3HZ LYS 13 9.007 -1.272 -5.482
97 H CYS 14 H CYS 14 2.174 -0.283 -2.102
98 HA CYS 14 HA CYS 14 2.574 2.543 -2.597
99 1HB CYS 14 2HB CYS 14 0.286 1.053 -1.306
100 2HB CYS 14 1HB CYS 14 0.332 2.800 -1.518
101 H TYR 15 H TYR 15 3.839 3.587 -1.344
102 HA TYR 15 HA TYR 15 3.478 3.533 1.528
103 1HB TYR 15 2HB TYR 15 6.115 3.500 1.670
104 2HB TYR 15 1HB TYR 15 5.203 1.998 1.628
105 HD1 TYR 15 1HD TYR 15 6.569 4.392 -0.928
106 HD2 TYR 15 2HD TYR 15 6.173 0.354 0.363
107 HE1 TYR 15 1HE TYR 15 7.879 3.646 -2.872
108 HE2 TYR 15 2HE TYR 15 7.483 -0.400 -1.577
109 HH TYR 15 HH TYR 15 9.155 1.832 -3.643
110 H THR 16 H THR 16 2.948 5.234 -0.711
111 HA THR 16 HA THR 16 4.757 7.472 -0.619
112 HB THR 16 HB THR 16 2.239 8.131 -1.809
113 HG1 THR 16 1HG THR 16 2.574 6.253 -3.442
114 1HG2 THR 16 1HG2 THR 16 4.790 7.310 -3.193
115 2HG2 THR 16 2HG2 THR 16 4.547 8.893 -2.454
116 3HG2 THR 16 3HG2 THR 16 3.533 8.384 -3.804
117 HA PRO 17 HA PRO 17 2.977 9.856 2.644
118 1HB PRO 17 2HB PRO 17 2.319 11.997 0.672
119 2HB PRO 17 1HB PRO 17 3.208 12.107 2.194
120 1HG PRO 17 2HG PRO 17 4.507 12.165 -0.124
121 2HG PRO 17 1HG PRO 17 5.169 11.276 1.261
122 1HD PRO 17 2HD PRO 17 3.790 10.237 -1.177
123 2HD PRO 17 1HD PRO 17 5.155 9.549 -0.272
124 H ARG 18 H ARG 18 1.129 9.219 3.453
125 HA ARG 18 HA ARG 18 -1.047 8.906 3.876
126 1HB ARG 18 2HB ARG 18 -1.289 11.300 3.386
127 2HB ARG 18 1HB ARG 18 -1.494 10.939 1.682
128 1HG ARG 18 2HG ARG 18 -3.597 11.460 2.971
129 2HG ARG 18 1HG ARG 18 -3.621 9.959 2.046
130 1HD ARG 18 2HD ARG 18 -2.738 8.976 4.352
131 2HD ARG 18 1HD ARG 18 -3.569 10.392 4.987
132 HE ARG 18 HE ARG 18 -4.757 8.029 3.821
133 1HH1 ARG 18 1HH1 ARG 18 -5.265 11.373 4.742
134 2HH1 ARG 18 2HH1 ARG 18 -6.991 11.243 4.752
135 1HH2 ARG 18 1HH2 ARG 18 -7.027 7.849 3.841
136 2HH2 ARG 18 2HH2 ARG 18 -7.999 9.229 4.239
137 H CYS 19 H CYS 19 0.285 7.099 2.246
138 HA CYS 19 HA CYS 19 -1.991 5.849 0.976
139 1HB CYS 19 2HB CYS 19 -0.847 7.245 -0.817
140 2HB CYS 19 1HB CYS 19 0.537 6.168 -0.647
141 H SER 20 H SER 20 -2.010 3.814 1.676
142 HA SER 20 HA SER 20 0.585 2.509 2.165
143 1HB SER 20 2HB SER 20 -1.337 1.417 3.935
144 2HB SER 20 1HB SER 20 0.107 2.347 4.330
145 HG SER 20 HG SER 20 -2.366 3.544 3.583
146 H CYS 21 H CYS 21 0.853 0.545 1.430
147 HA CYS 21 HA CYS 21 -1.215 -0.588 -0.225
148 1HB CYS 21 2HB CYS 21 0.976 -0.713 -1.144
149 2HB CYS 21 1HB CYS 21 1.652 -1.393 0.330
150 H SER 22 H SER 22 -2.821 -1.218 1.143
151 HA SER 22 HA SER 22 -2.178 -3.193 3.210
152 1HB SER 22 2HB SER 22 -3.668 -1.244 3.794
153 2HB SER 22 1HB SER 22 -4.836 -1.846 2.617
154 HG SER 22 HG SER 22 -5.069 -3.706 3.851
155 H TYR 23 H TYR 23 -1.658 -4.805 1.741
156 HA TYR 23 HA TYR 23 -2.753 -5.646 -0.508
157 1HB TYR 23 2HB TYR 23 -1.884 -7.786 -0.148
158 2HB TYR 23 1HB TYR 23 -0.893 -6.739 0.858
159 HD1 TYR 23 1HD TYR 23 -0.979 -6.899 3.275
160 HD2 TYR 23 2HD TYR 23 -3.447 -9.363 0.832
161 HE1 TYR 23 1HE TYR 23 -1.446 -8.338 5.214
162 HE2 TYR 23 2HE TYR 23 -3.924 -10.809 2.770
163 HH TYR 23 HH TYR 23 -3.868 -10.288 5.513
164 HA PRO 24 HA PRO 24 -3.344 -6.415 -1.763
165 1HB PRO 24 2HB PRO 24 -5.065 -7.248 -3.611
166 2HB PRO 24 1HB PRO 24 -4.365 -8.379 -2.455
167 1HG PRO 24 2HG PRO 24 -7.121 -7.337 -2.619
168 2HG PRO 24 1HG PRO 24 -6.522 -8.813 -1.845
169 1HD PRO 24 2HD PRO 24 -7.067 -6.217 -0.642
170 2HD PRO 24 1HD PRO 24 -6.653 -7.749 0.158
171 H VAL 25 H VAL 25 -4.696 -3.981 -0.641
172 HA VAL 25 HA VAL 25 -5.033 -2.572 -3.188
173 HB VAL 25 HB VAL 25 -7.096 -2.079 -1.058
174 1HG1 VAL 25 1HG1 VAL 25 -6.998 -0.286 -2.531
175 2HG1 VAL 25 2HG1 VAL 25 -8.346 -1.252 -3.135
176 3HG1 VAL 25 3HG1 VAL 25 -6.777 -1.329 -3.936
177 1HG2 VAL 25 1HG2 VAL 25 -8.276 -3.447 -3.270
178 2HG2 VAL 25 2HG2 VAL 25 -8.301 -3.876 -1.560
179 3HG2 VAL 25 3HG2 VAL 25 -6.989 -4.445 -2.592
180 H CYS 26 H CYS 26 -4.515 -0.389 -3.071
181 HA CYS 26 HA CYS 26 -3.049 0.421 -0.724
182 1HB CYS 26 2HB CYS 26 -3.557 1.808 -3.361
183 2HB CYS 26 1HB CYS 26 -2.422 2.326 -2.130
184 H LYS 27 H LYS 27 -3.702 1.934 0.759
185 HA LYS 27 HA LYS 27 -5.987 3.628 0.191
186 1HB LYS 27 2HB LYS 27 -6.875 1.414 1.050
187 2HB LYS 27 1HB LYS 27 -6.074 1.776 2.574
188 1HG LYS 27 2HG LYS 27 -7.418 3.791 2.815
189 2HG LYS 27 1HG LYS 27 -8.210 3.450 1.275
190 1HD LYS 27 2HD LYS 27 -8.979 1.279 2.245
191 2HD LYS 27 1HD LYS 27 -8.340 1.816 3.801
192 1HE LYS 27 2HE LYS 27 -10.741 2.248 3.621
193 2HE LYS 27 1HE LYS 27 -9.820 3.746 3.760
194 1HZ LYS 27 1HZ LYS 27 -10.154 4.249 1.531
195 2HZ LYS 27 2HZ LYS 27 -11.654 3.631 2.011
196 3HZ LYS 27 3HZ LYS 27 -10.587 2.666 1.122
Start of MODEL 7
1 1H SER 1 1HT SER 1 3.378 15.991 -6.013
2 2H SER 1 2HT SER 1 3.232 16.018 -4.326
3 3H SER 1 3HT SER 1 1.898 16.394 -5.297
4 HA SER 1 HA SER 1 1.378 14.271 -5.673
5 1HB SER 1 2HB SER 1 4.302 13.517 -5.516
6 2HB SER 1 1HB SER 1 3.000 12.647 -6.330
7 HG SER 1 HG SER 1 4.003 13.742 -7.932
8 H ALA 2 H ALA 2 0.851 12.550 -4.281
9 HA ALA 2 HA ALA 2 2.289 12.045 -1.860
10 1HB ALA 2 1HB ALA 2 -0.388 12.865 -1.064
11 2HB ALA 2 2HB ALA 2 0.563 14.200 -1.715
12 3HB ALA 2 3HB ALA 2 1.175 13.264 -0.350
13 H ILE 3 H ILE 3 -0.966 11.891 -3.288
14 HA ILE 3 HA ILE 3 -1.493 9.306 -2.201
15 HB ILE 3 HB ILE 3 -3.051 10.638 -4.415
16 1HG1 ILE 3 2HG1 ILE 3 -2.764 12.251 -2.574
17 2HG1 ILE 3 1HG1 ILE 3 -4.432 11.702 -2.691
18 1HG2 ILE 3 1HG2 ILE 3 -3.541 8.420 -2.494
19 2HG2 ILE 3 2HG2 ILE 3 -3.982 8.561 -4.196
20 3HG2 ILE 3 3HG2 ILE 3 -4.907 9.430 -2.970
21 1HD1 ILE 3 1HD1 ILE 3 -3.929 10.087 -0.846
22 2HD1 ILE 3 2HD1 ILE 3 -3.863 11.791 -0.393
23 3HD1 ILE 3 3HD1 ILE 3 -2.370 10.890 -0.662
24 H SER 4 H SER 4 0.777 8.844 -3.364
25 HA SER 4 HA SER 4 0.621 8.114 -6.122
26 1HB SER 4 2HB SER 4 2.713 7.351 -4.081
27 2HB SER 4 1HB SER 4 2.888 7.415 -5.828
28 HG SER 4 HG SER 4 3.613 9.280 -4.369
29 H CYS 5 H CYS 5 -1.442 6.855 -5.166
30 HA CYS 5 HA CYS 5 -0.794 4.176 -4.284
31 1HB CYS 5 2HB CYS 5 -3.449 5.458 -4.963
32 2HB CYS 5 1HB CYS 5 -3.233 3.899 -4.190
33 H GLY 6 H GLY 6 -2.795 5.475 -6.897
34 1HA GLY 6 2HA GLY 6 -2.675 4.980 -9.176
35 2HA GLY 6 1HA GLY 6 -1.571 3.666 -8.808
36 H GLU 7 H GLU 7 -2.791 2.027 -7.204
37 HA GLU 7 HA GLU 7 -5.527 1.530 -7.544
38 1HB GLU 7 2HB GLU 7 -5.581 -0.246 -9.171
39 2HB GLU 7 1HB GLU 7 -4.919 1.198 -9.919
40 1HG GLU 7 2HG GLU 7 -2.941 0.241 -10.310
41 2HG GLU 7 1HG GLU 7 -2.918 -0.600 -8.762
42 H THR 8 H THR 8 -5.533 -1.214 -7.680
43 HA THR 8 HA THR 8 -4.987 -1.967 -5.043
44 HB THR 8 HB THR 8 -5.061 -4.327 -6.535
45 HG1 THR 8 1HG THR 8 -5.529 -3.035 -8.416
46 1HG2 THR 8 1HG2 THR 8 -7.582 -2.984 -5.663
47 2HG2 THR 8 2HG2 THR 8 -6.371 -3.403 -4.451
48 3HG2 THR 8 3HG2 THR 8 -7.076 -4.662 -5.464
49 H CYS 9 H CYS 9 -3.467 -3.524 -4.228
50 HA CYS 9 HA CYS 9 -1.184 -4.187 -5.850
51 1HB CYS 9 2HB CYS 9 0.427 -3.186 -4.239
52 2HB CYS 9 1HB CYS 9 -0.536 -1.982 -5.088
53 H PHE 10 H PHE 10 -1.293 -6.280 -5.518
54 HA PHE 10 HA PHE 10 -2.031 -7.457 -3.017
55 1HB PHE 10 2HB PHE 10 -1.113 -8.586 -5.656
56 2HB PHE 10 1HB PHE 10 -1.428 -9.602 -4.262
57 HD1 PHE 10 1HD PHE 10 -3.394 -10.743 -4.478
58 HD2 PHE 10 2HD PHE 10 -3.214 -6.711 -5.831
59 HE1 PHE 10 1HE PHE 10 -5.776 -10.842 -5.085
60 HE2 PHE 10 2HE PHE 10 -5.596 -6.804 -6.437
61 HZ PHE 10 HZ PHE 10 -6.880 -8.872 -6.064
62 H LYS 11 H LYS 11 0.078 -5.942 -2.373
63 HA LYS 11 HA LYS 11 1.850 -7.699 -1.122
64 1HB LYS 11 2HB LYS 11 2.671 -7.891 -3.543
65 2HB LYS 11 1HB LYS 11 3.226 -6.231 -3.377
66 1HG LYS 11 2HG LYS 11 4.758 -6.835 -1.652
67 2HG LYS 11 1HG LYS 11 4.087 -8.463 -1.551
68 1HD LYS 11 2HD LYS 11 6.173 -8.524 -2.768
69 2HD LYS 11 1HD LYS 11 4.842 -8.882 -3.867
70 1HE LYS 11 2HE LYS 11 4.893 -6.576 -4.679
71 2HE LYS 11 1HE LYS 11 6.216 -6.213 -3.573
72 1HZ LYS 11 1HZ LYS 11 6.318 -7.393 -6.148
73 2HZ LYS 11 2HZ LYS 11 7.012 -8.432 -5.008
74 3HZ LYS 11 3HZ LYS 11 7.591 -6.850 -5.173
75 H PHE 12 H PHE 12 3.657 -5.093 -2.276
76 HA PHE 12 HA PHE 12 2.624 -3.141 -0.406
77 1HB PHE 12 2HB PHE 12 4.184 -4.620 0.920
78 2HB PHE 12 1HB PHE 12 5.485 -4.093 -0.140
79 HD1 PHE 12 1HD PHE 12 2.688 -2.232 1.477
80 HD2 PHE 12 2HD PHE 12 6.894 -2.732 1.068
81 HE1 PHE 12 1HE PHE 12 3.056 -0.266 2.910
82 HE2 PHE 12 2HE PHE 12 7.271 -0.768 2.501
83 HZ PHE 12 HZ PHE 12 5.350 0.468 3.423
84 H LYS 13 H LYS 13 2.317 -2.499 -2.775
85 HA LYS 13 HA LYS 13 4.724 -1.441 -3.996
86 1HB LYS 13 2HB LYS 13 3.103 -2.572 -5.439
87 2HB LYS 13 1HB LYS 13 1.871 -1.400 -4.987
88 1HG LYS 13 2HG LYS 13 2.773 -0.864 -7.164
89 2HG LYS 13 1HG LYS 13 3.219 0.387 -6.001
90 1HD LYS 13 2HD LYS 13 5.373 -1.105 -5.728
91 2HD LYS 13 1HD LYS 13 4.920 -1.662 -7.340
92 1HE LYS 13 2HE LYS 13 6.434 0.153 -7.619
93 2HE LYS 13 1HE LYS 13 4.828 0.743 -8.043
94 1HZ LYS 13 1HZ LYS 13 4.893 1.366 -5.464
95 2HZ LYS 13 2HZ LYS 13 5.437 2.415 -6.676
96 3HZ LYS 13 3HZ LYS 13 6.550 1.475 -5.809
97 H CYS 14 H CYS 14 1.872 -0.272 -2.364
98 HA CYS 14 HA CYS 14 2.521 2.490 -2.966
99 1HB CYS 14 2HB CYS 14 0.356 1.426 -1.145
100 2HB CYS 14 1HB CYS 14 0.457 3.035 -1.858
101 H TYR 15 H TYR 15 3.766 3.701 -1.754
102 HA TYR 15 HA TYR 15 3.918 3.424 1.106
103 1HB TYR 15 2HB TYR 15 6.548 3.306 0.840
104 2HB TYR 15 1HB TYR 15 5.580 1.838 0.865
105 HD1 TYR 15 1HD TYR 15 6.368 0.246 -0.589
106 HD2 TYR 15 2HD TYR 15 6.526 4.328 -1.784
107 HE1 TYR 15 1HE TYR 15 7.300 -0.430 -2.763
108 HE2 TYR 15 2HE TYR 15 7.455 3.662 -3.959
109 HH TYR 15 HH TYR 15 8.854 0.903 -4.605
110 H THR 16 H THR 16 2.893 5.495 0.120
111 HA THR 16 HA THR 16 4.944 7.593 0.239
112 HB THR 16 HB THR 16 2.598 7.693 -1.676
113 HG1 THR 16 1HG THR 16 5.101 6.501 -1.921
114 1HG2 THR 16 1HG2 THR 16 3.578 9.863 -1.029
115 2HG2 THR 16 2HG2 THR 16 3.853 9.498 -2.732
116 3HG2 THR 16 3HG2 THR 16 5.160 9.295 -1.566
117 HA PRO 17 HA PRO 17 2.596 9.371 3.543
118 1HB PRO 17 2HB PRO 17 2.651 11.790 1.770
119 2HB PRO 17 1HB PRO 17 2.924 11.673 3.513
120 1HG PRO 17 2HG PRO 17 4.974 11.833 1.805
121 2HG PRO 17 1HG PRO 17 5.059 10.825 3.261
122 1HD PRO 17 2HD PRO 17 4.862 10.018 0.433
123 2HD PRO 17 1HD PRO 17 5.446 9.097 1.831
124 H ARG 18 H ARG 18 0.564 9.022 3.924
125 HA ARG 18 HA ARG 18 -1.683 9.062 3.917
126 1HB ARG 18 2HB ARG 18 -1.302 11.451 3.168
127 2HB ARG 18 1HB ARG 18 -1.560 10.882 1.531
128 1HG ARG 18 2HG ARG 18 -3.595 11.845 2.358
129 2HG ARG 18 1HG ARG 18 -3.815 10.100 2.206
130 1HD ARG 18 2HD ARG 18 -4.771 10.860 4.292
131 2HD ARG 18 1HD ARG 18 -3.355 9.862 4.618
132 HE ARG 18 HE ARG 18 -2.564 12.554 4.512
133 1HH1 ARG 18 1HH1 ARG 18 -4.416 10.386 6.538
134 2HH1 ARG 18 2HH1 ARG 18 -4.122 11.278 7.993
135 1HH2 ARG 18 1HH2 ARG 18 -2.167 13.743 6.432
136 2HH2 ARG 18 2HH2 ARG 18 -2.837 13.194 7.932
137 H CYS 19 H CYS 19 -0.008 7.250 2.234
138 HA CYS 19 HA CYS 19 -2.204 5.941 0.888
139 1HB CYS 19 2HB CYS 19 -1.312 7.363 -0.911
140 2HB CYS 19 1HB CYS 19 0.301 6.714 -0.636
141 H SER 20 H SER 20 -2.097 3.880 1.553
142 HA SER 20 HA SER 20 0.567 2.696 1.949
143 1HB SER 20 2HB SER 20 -0.961 1.418 3.823
144 2HB SER 20 1HB SER 20 0.137 2.757 4.143
145 HG SER 20 HG SER 20 -2.493 3.318 3.305
146 H CYS 21 H CYS 21 0.869 0.642 1.396
147 HA CYS 21 HA CYS 21 -1.257 -0.586 -0.172
148 1HB CYS 21 2HB CYS 21 0.985 -0.396 -1.187
149 2HB CYS 21 1HB CYS 21 1.648 -1.413 0.087
150 H SER 22 H SER 22 -2.593 -1.279 1.475
151 HA SER 22 HA SER 22 -1.587 -3.226 3.379
152 1HB SER 22 2HB SER 22 -4.333 -1.984 3.034
153 2HB SER 22 1HB SER 22 -3.811 -2.990 4.372
154 HG SER 22 HG SER 22 -3.249 -0.333 3.827
155 H TYR 23 H TYR 23 -1.101 -4.654 1.580
156 HA TYR 23 HA TYR 23 -2.625 -5.548 -0.412
157 1HB TYR 23 2HB TYR 23 -1.354 -7.508 -0.503
158 2HB TYR 23 1HB TYR 23 -0.306 -6.347 0.295
159 HD1 TYR 23 1HD TYR 23 -2.360 -9.360 0.748
160 HD2 TYR 23 2HD TYR 23 0.386 -6.672 2.579
161 HE1 TYR 23 1HE TYR 23 -2.033 -10.957 2.593
162 HE2 TYR 23 2HE TYR 23 0.718 -8.260 4.428
163 HH TYR 23 HH TYR 23 -1.253 -10.632 5.190
164 HA PRO 24 HA PRO 24 -3.377 -6.497 -1.560
165 1HB PRO 24 2HB PRO 24 -5.430 -7.470 -2.931
166 2HB PRO 24 1HB PRO 24 -4.324 -8.550 -2.083
167 1HG PRO 24 2HG PRO 24 -7.104 -7.784 -1.397
168 2HG PRO 24 1HG PRO 24 -6.220 -9.269 -1.015
169 1HD PRO 24 2HD PRO 24 -6.611 -6.953 0.651
170 2HD PRO 24 1HD PRO 24 -5.732 -8.447 1.040
171 H VAL 25 H VAL 25 -4.402 -4.267 -0.042
172 HA VAL 25 HA VAL 25 -6.007 -2.965 -2.149
173 HB VAL 25 HB VAL 25 -6.478 -2.415 0.777
174 1HG1 VAL 25 1HG1 VAL 25 -8.276 -1.120 0.125
175 2HG1 VAL 25 2HG1 VAL 25 -8.414 -1.917 -1.441
176 3HG1 VAL 25 3HG1 VAL 25 -7.091 -0.791 -1.139
177 1HG2 VAL 25 1HG2 VAL 25 -7.553 -4.602 -0.876
178 2HG2 VAL 25 2HG2 VAL 25 -8.744 -3.688 0.049
179 3HG2 VAL 25 3HG2 VAL 25 -7.398 -4.473 0.876
180 H CYS 26 H CYS 26 -5.588 -0.741 -2.390
181 HA CYS 26 HA CYS 26 -3.274 0.241 -0.862
182 1HB CYS 26 2HB CYS 26 -2.540 -0.265 -3.115
183 2HB CYS 26 1HB CYS 26 -3.892 0.632 -3.793
184 H LYS 27 H LYS 27 -3.891 1.839 0.413
185 HA LYS 27 HA LYS 27 -5.319 4.079 -0.698
186 1HB LYS 27 2HB LYS 27 -7.174 2.625 0.073
187 2HB LYS 27 1HB LYS 27 -6.480 2.624 1.690
188 1HG LYS 27 2HG LYS 27 -8.313 4.211 1.531
189 2HG LYS 27 1HG LYS 27 -6.784 5.044 1.830
190 1HD LYS 27 2HD LYS 27 -6.826 5.057 -0.871
191 2HD LYS 27 1HD LYS 27 -8.555 5.114 -0.529
192 1HE LYS 27 2HE LYS 27 -7.782 7.362 -0.700
193 2HE LYS 27 1HE LYS 27 -8.104 7.040 1.002
194 1HZ LYS 27 1HZ LYS 27 -6.060 7.857 1.314
195 2HZ LYS 27 2HZ LYS 27 -5.616 7.677 -0.304
196 3HZ LYS 27 3HZ LYS 27 -5.491 6.363 0.756
Start of MODEL 8
1 1H SER 1 1HT SER 1 4.917 10.981 -4.483
2 2H SER 1 2HT SER 1 6.444 11.613 -4.127
3 3H SER 1 3HT SER 1 6.163 10.876 -5.625
4 HA SER 1 HA SER 1 6.053 13.524 -5.147
5 1HB SER 1 2HB SER 1 4.478 12.119 -7.303
6 2HB SER 1 1HB SER 1 5.413 13.613 -7.423
7 HG SER 1 HG SER 1 6.789 12.177 -8.249
8 H ALA 2 H ALA 2 3.224 11.365 -5.427
9 HA ALA 2 HA ALA 2 1.666 13.124 -3.750
10 1HB ALA 2 1HB ALA 2 1.505 13.434 -6.546
11 2HB ALA 2 2HB ALA 2 0.446 14.133 -5.320
12 3HB ALA 2 3HB ALA 2 0.041 12.580 -6.054
13 H ILE 3 H ILE 3 -0.697 12.104 -3.708
14 HA ILE 3 HA ILE 3 -0.353 9.395 -2.886
15 HB ILE 3 HB ILE 3 -3.002 10.808 -3.127
16 1HG1 ILE 3 2HG1 ILE 3 -1.072 10.982 -0.799
17 2HG1 ILE 3 1HG1 ILE 3 -1.335 12.272 -1.969
18 1HG2 ILE 3 1HG2 ILE 3 -3.648 8.813 -2.327
19 2HG2 ILE 3 2HG2 ILE 3 -2.971 9.364 -0.795
20 3HG2 ILE 3 3HG2 ILE 3 -2.005 8.361 -1.875
21 1HD1 ILE 3 1HD1 ILE 3 -2.836 11.595 0.384
22 2HD1 ILE 3 2HD1 ILE 3 -3.874 11.602 -1.042
23 3HD1 ILE 3 3HD1 ILE 3 -2.925 13.032 -0.634
24 H SER 4 H SER 4 0.338 9.218 -5.388
25 HA SER 4 HA SER 4 -1.822 8.696 -7.197
26 1HB SER 4 2HB SER 4 1.122 8.057 -7.457
27 2HB SER 4 1HB SER 4 -0.056 8.180 -8.753
28 HG SER 4 HG SER 4 -0.179 10.356 -8.460
29 H CYS 5 H CYS 5 -2.460 7.139 -5.181
30 HA CYS 5 HA CYS 5 -1.440 4.469 -5.779
31 1HB CYS 5 2HB CYS 5 -2.915 5.441 -3.330
32 2HB CYS 5 1HB CYS 5 -2.113 3.894 -3.538
33 H GLY 6 H GLY 6 -4.150 4.280 -3.925
34 1HA GLY 6 2HA GLY 6 -6.384 3.827 -4.297
35 2HA GLY 6 1HA GLY 6 -6.204 4.509 -5.905
36 H GLU 7 H GLU 7 -4.147 2.768 -6.787
37 HA GLU 7 HA GLU 7 -5.571 0.707 -7.971
38 1HB GLU 7 2HB GLU 7 -3.358 -0.156 -8.646
39 2HB GLU 7 1HB GLU 7 -3.498 1.584 -8.879
40 1HG GLU 7 2HG GLU 7 -2.260 1.978 -6.830
41 2HG GLU 7 1HG GLU 7 -2.155 0.247 -6.538
42 H THR 8 H THR 8 -4.731 -1.616 -7.936
43 HA THR 8 HA THR 8 -5.229 -2.730 -5.316
44 HB THR 8 HB THR 8 -4.886 -4.928 -6.631
45 HG1 THR 8 1HG THR 8 -3.851 -3.656 -8.419
46 1HG2 THR 8 1HG2 THR 8 -7.122 -3.072 -7.462
47 2HG2 THR 8 2HG2 THR 8 -7.088 -4.025 -5.979
48 3HG2 THR 8 3HG2 THR 8 -7.141 -4.834 -7.545
49 H CYS 9 H CYS 9 -3.726 -4.025 -4.148
50 HA CYS 9 HA CYS 9 -1.038 -4.258 -5.196
51 1HB CYS 9 2HB CYS 9 -1.063 -2.012 -4.238
52 2HB CYS 9 1HB CYS 9 -1.644 -2.658 -2.708
53 H PHE 10 H PHE 10 -1.052 -6.423 -4.971
54 HA PHE 10 HA PHE 10 -1.903 -7.678 -2.509
55 1HB PHE 10 2HB PHE 10 -0.805 -8.787 -5.097
56 2HB PHE 10 1HB PHE 10 -1.275 -9.778 -3.732
57 HD1 PHE 10 1HD PHE 10 -2.799 -6.958 -5.666
58 HD2 PHE 10 2HD PHE 10 -3.274 -10.843 -3.993
59 HE1 PHE 10 1HE PHE 10 -5.101 -7.041 -6.525
60 HE2 PHE 10 2HE PHE 10 -5.578 -10.932 -4.850
61 HZ PHE 10 HZ PHE 10 -6.495 -9.030 -6.118
62 H LYS 11 H LYS 11 0.639 -5.945 -2.795
63 HA LYS 11 HA LYS 11 2.359 -7.757 -1.286
64 1HB LYS 11 2HB LYS 11 3.291 -6.249 -3.740
65 2HB LYS 11 1HB LYS 11 4.376 -6.985 -2.572
66 1HG LYS 11 2HG LYS 11 2.374 -8.438 -4.292
67 2HG LYS 11 1HG LYS 11 4.119 -8.376 -4.547
68 1HD LYS 11 2HD LYS 11 2.729 -9.567 -2.146
69 2HD LYS 11 1HD LYS 11 3.421 -10.477 -3.488
70 1HE LYS 11 2HE LYS 11 5.636 -9.641 -2.937
71 2HE LYS 11 1HE LYS 11 4.960 -8.659 -1.636
72 1HZ LYS 11 1HZ LYS 11 4.062 -10.960 -0.840
73 2HZ LYS 11 2HZ LYS 11 5.650 -10.496 -0.490
74 3HZ LYS 11 3HZ LYS 11 5.344 -11.566 -1.764
75 H PHE 12 H PHE 12 3.963 -5.035 -2.463
76 HA PHE 12 HA PHE 12 3.071 -3.187 -0.426
77 1HB PHE 12 2HB PHE 12 4.773 -4.656 0.715
78 2HB PHE 12 1HB PHE 12 5.962 -4.095 -0.455
79 HD1 PHE 12 1HD PHE 12 7.474 -2.810 0.728
80 HD2 PHE 12 2HD PHE 12 3.308 -2.225 1.371
81 HE1 PHE 12 1HE PHE 12 7.971 -0.873 2.161
82 HE2 PHE 12 2HE PHE 12 3.798 -0.285 2.804
83 HZ PHE 12 HZ PHE 12 6.132 0.392 3.200
84 H LYS 13 H LYS 13 2.524 -2.480 -2.690
85 HA LYS 13 HA LYS 13 4.707 -1.387 -4.225
86 1HB LYS 13 2HB LYS 13 3.147 -2.301 -5.648
87 2HB LYS 13 1HB LYS 13 1.795 -1.823 -4.639
88 1HG LYS 13 2HG LYS 13 1.568 -0.532 -6.555
89 2HG LYS 13 1HG LYS 13 2.309 0.564 -5.389
90 1HD LYS 13 2HD LYS 13 4.492 0.182 -6.397
91 2HD LYS 13 1HD LYS 13 3.780 -0.964 -7.536
92 1HE LYS 13 2HE LYS 13 3.131 1.975 -7.321
93 2HE LYS 13 1HE LYS 13 4.103 1.218 -8.580
94 1HZ LYS 13 1HZ LYS 13 1.689 -0.148 -8.514
95 2HZ LYS 13 2HZ LYS 13 2.227 0.917 -9.706
96 3HZ LYS 13 3HZ LYS 13 1.282 1.492 -8.424
97 H CYS 14 H CYS 14 1.826 -0.086 -2.627
98 HA CYS 14 HA CYS 14 2.781 2.608 -3.081
99 1HB CYS 14 2HB CYS 14 0.309 1.695 -1.615
100 2HB CYS 14 1HB CYS 14 0.644 3.316 -2.224
101 H TYR 15 H TYR 15 3.829 3.818 -1.691
102 HA TYR 15 HA TYR 15 3.587 3.442 1.158
103 1HB TYR 15 2HB TYR 15 6.175 3.373 1.336
104 2HB TYR 15 1HB TYR 15 5.312 1.885 0.974
105 HD1 TYR 15 1HD TYR 15 6.615 4.752 -1.077
106 HD2 TYR 15 2HD TYR 15 6.449 0.540 -0.487
107 HE1 TYR 15 1HE TYR 15 8.002 4.422 -3.080
108 HE2 TYR 15 2HE TYR 15 7.837 0.200 -2.488
109 HH TYR 15 HH TYR 15 8.766 1.173 -4.272
110 H THR 16 H THR 16 2.947 5.484 -0.739
111 HA THR 16 HA THR 16 4.846 7.637 -0.204
112 HB THR 16 HB THR 16 2.296 7.629 -1.864
113 HG1 THR 16 1HG THR 16 4.633 6.565 -2.385
114 1HG2 THR 16 1HG2 THR 16 2.712 9.789 -2.498
115 2HG2 THR 16 2HG2 THR 16 4.447 9.657 -2.208
116 3HG2 THR 16 3HG2 THR 16 3.339 9.847 -0.849
117 HA PRO 17 HA PRO 17 2.901 9.144 3.490
118 1HB PRO 17 2HB PRO 17 2.655 11.829 2.491
119 2HB PRO 17 1HB PRO 17 3.826 11.194 3.647
120 1HG PRO 17 2HG PRO 17 4.107 11.658 0.748
121 2HG PRO 17 1HG PRO 17 5.357 11.569 2.002
122 1HD PRO 17 2HD PRO 17 5.031 9.616 0.182
123 2HD PRO 17 1HD PRO 17 5.510 9.259 1.856
124 H ARG 18 H ARG 18 0.883 9.044 4.118
125 HA ARG 18 HA ARG 18 -1.364 9.215 4.270
126 1HB ARG 18 2HB ARG 18 -1.054 11.554 3.520
127 2HB ARG 18 1HB ARG 18 -1.174 11.018 1.856
128 1HG ARG 18 2HG ARG 18 -3.255 12.023 2.632
129 2HG ARG 18 1HG ARG 18 -3.477 10.323 2.225
130 1HD ARG 18 2HD ARG 18 -4.647 10.809 4.273
131 2HD ARG 18 1HD ARG 18 -3.274 9.761 4.623
132 HE ARG 18 HE ARG 18 -2.472 12.424 4.962
133 1HH1 ARG 18 1HH1 ARG 18 -4.596 10.074 6.439
134 2HH1 ARG 18 2HH1 ARG 18 -4.485 10.768 8.023
135 1HH2 ARG 18 1HH2 ARG 18 -2.315 13.355 7.056
136 2HH2 ARG 18 2HH2 ARG 18 -3.182 12.642 8.375
137 H CYS 19 H CYS 19 0.160 7.317 2.560
138 HA CYS 19 HA CYS 19 -2.118 6.007 1.375
139 1HB CYS 19 2HB CYS 19 -1.491 7.087 -0.597
140 2HB CYS 19 1HB CYS 19 0.224 7.006 -0.215
141 H SER 20 H SER 20 -1.913 3.792 1.403
142 HA SER 20 HA SER 20 0.698 2.623 1.892
143 1HB SER 20 2HB SER 20 -0.683 1.300 3.818
144 2HB SER 20 1HB SER 20 0.398 2.656 4.111
145 HG SER 20 HG SER 20 -2.146 3.409 3.401
146 H CYS 21 H CYS 21 0.930 0.620 1.210
147 HA CYS 21 HA CYS 21 -1.229 -0.474 -0.361
148 1HB CYS 21 2HB CYS 21 0.818 -0.736 -1.461
149 2HB CYS 21 1HB CYS 21 1.674 -1.224 -0.007
150 H SER 22 H SER 22 -2.773 -1.088 1.066
151 HA SER 22 HA SER 22 -2.061 -2.996 3.161
152 1HB SER 22 2HB SER 22 -3.554 -1.073 3.747
153 2HB SER 22 1HB SER 22 -4.727 -1.663 2.570
154 HG SER 22 HG SER 22 -4.996 -3.512 3.805
155 H TYR 23 H TYR 23 -1.612 -4.757 1.893
156 HA TYR 23 HA TYR 23 -2.778 -5.647 -0.347
157 1HB TYR 23 2HB TYR 23 -1.916 -7.790 0.069
158 2HB TYR 23 1HB TYR 23 -0.856 -6.703 0.954
159 HD1 TYR 23 1HD TYR 23 -0.717 -6.793 3.353
160 HD2 TYR 23 2HD TYR 23 -3.490 -9.247 1.254
161 HE1 TYR 23 1HE TYR 23 -1.060 -8.133 5.386
162 HE2 TYR 23 2HE TYR 23 -3.843 -10.592 3.287
163 HH TYR 23 HH TYR 23 -3.549 -10.032 5.939
164 HA PRO 24 HA PRO 24 -3.444 -6.527 -1.538
165 1HB PRO 24 2HB PRO 24 -5.255 -7.441 -3.234
166 2HB PRO 24 1HB PRO 24 -4.567 -8.504 -2.007
167 1HG PRO 24 2HG PRO 24 -7.269 -7.292 -2.147
168 2HG PRO 24 1HG PRO 24 -6.748 -8.790 -1.359
169 1HD PRO 24 2HD PRO 24 -7.101 -6.171 -0.183
170 2HD PRO 24 1HD PRO 24 -6.653 -7.689 0.623
171 H VAL 25 H VAL 25 -4.689 -3.956 -0.545
172 HA VAL 25 HA VAL 25 -5.111 -2.784 -3.198
173 HB VAL 25 HB VAL 25 -7.065 -1.978 -1.076
174 1HG1 VAL 25 1HG1 VAL 25 -8.353 -1.682 -3.395
175 2HG1 VAL 25 2HG1 VAL 25 -6.690 -1.546 -3.967
176 3HG1 VAL 25 3HG1 VAL 25 -7.286 -0.454 -2.716
177 1HG2 VAL 25 1HG2 VAL 25 -8.027 -4.001 -1.109
178 2HG2 VAL 25 2HG2 VAL 25 -7.131 -4.508 -2.541
179 3HG2 VAL 25 3HG2 VAL 25 -8.595 -3.542 -2.714
180 H CYS 26 H CYS 26 -4.471 -0.675 -3.353
181 HA CYS 26 HA CYS 26 -2.984 0.421 -1.133
182 1HB CYS 26 2HB CYS 26 -3.416 1.218 -4.006
183 2HB CYS 26 1HB CYS 26 -2.567 2.246 -2.871
184 H LYS 27 H LYS 27 -3.791 1.917 0.240
185 HA LYS 27 HA LYS 27 -5.901 3.705 -0.633
186 1HB LYS 27 2HB LYS 27 -6.175 1.665 1.556
187 2HB LYS 27 1HB LYS 27 -7.057 3.178 1.630
188 1HG LYS 27 2HG LYS 27 -7.225 1.170 -0.606
189 2HG LYS 27 1HG LYS 27 -8.407 1.368 0.689
190 1HD LYS 27 2HD LYS 27 -9.075 3.480 -0.092
191 2HD LYS 27 1HD LYS 27 -7.643 3.649 -1.110
192 1HE LYS 27 2HE LYS 27 -9.849 1.636 -1.533
193 2HE LYS 27 1HE LYS 27 -9.688 3.161 -2.404
194 1HZ LYS 27 1HZ LYS 27 -8.399 2.090 -3.841
195 2HZ LYS 27 2HZ LYS 27 -8.407 0.686 -2.901
196 3HZ LYS 27 3HZ LYS 27 -7.242 1.881 -2.620
Start of MODEL 9
1 1H SER 1 1HT SER 1 8.690 8.955 -6.952
2 2H SER 1 2HT SER 1 7.022 9.048 -7.229
3 3H SER 1 3HT SER 1 7.607 8.314 -5.821
4 HA SER 1 HA SER 1 7.904 10.233 -4.753
5 1HB SER 1 2HB SER 1 8.549 11.638 -7.345
6 2HB SER 1 1HB SER 1 9.078 12.055 -5.713
7 HG SER 1 HG SER 1 10.794 11.035 -6.608
8 H ALA 2 H ALA 2 5.407 9.435 -5.389
9 HA ALA 2 HA ALA 2 3.914 11.856 -5.363
10 1HB ALA 2 1HB ALA 2 2.699 11.683 -7.391
11 2HB ALA 2 2HB ALA 2 3.382 10.097 -7.751
12 3HB ALA 2 3HB ALA 2 4.399 11.535 -7.834
13 H ILE 3 H ILE 3 1.871 11.498 -4.516
14 HA ILE 3 HA ILE 3 1.434 8.963 -3.283
15 HB ILE 3 HB ILE 3 -0.565 11.214 -3.335
16 1HG1 ILE 3 2HG1 ILE 3 1.811 10.954 -1.474
17 2HG1 ILE 3 1HG1 ILE 3 1.690 12.121 -2.786
18 1HG2 ILE 3 1HG2 ILE 3 -1.336 9.161 -2.319
19 2HG2 ILE 3 2HG2 ILE 3 -1.066 10.367 -1.059
20 3HG2 ILE 3 3HG2 ILE 3 0.110 9.077 -1.313
21 1HD1 ILE 3 1HD1 ILE 3 0.026 11.989 -0.289
22 2HD1 ILE 3 2HD1 ILE 3 -0.343 13.040 -1.656
23 3HD1 ILE 3 3HD1 ILE 3 1.167 13.245 -0.767
24 H SER 4 H SER 4 1.452 8.516 -5.955
25 HA SER 4 HA SER 4 -1.238 8.470 -7.003
26 1HB SER 4 2HB SER 4 0.728 8.824 -8.479
27 2HB SER 4 1HB SER 4 1.282 7.194 -8.102
28 HG SER 4 HG SER 4 -0.602 6.389 -9.069
29 H CYS 5 H CYS 5 -2.633 7.008 -6.237
30 HA CYS 5 HA CYS 5 -1.753 4.263 -5.987
31 1HB CYS 5 2HB CYS 5 -3.267 5.848 -3.902
32 2HB CYS 5 1HB CYS 5 -3.064 4.109 -3.877
33 H GLY 6 H GLY 6 -4.712 4.568 -4.623
34 1HA GLY 6 2HA GLY 6 -6.847 4.034 -5.304
35 2HA GLY 6 1HA GLY 6 -6.503 5.028 -6.714
36 H GLU 7 H GLU 7 -4.927 2.054 -5.684
37 HA GLU 7 HA GLU 7 -6.110 0.551 -7.883
38 1HB GLU 7 2HB GLU 7 -3.789 -0.175 -8.581
39 2HB GLU 7 1HB GLU 7 -4.188 1.498 -8.961
40 1HG GLU 7 2HG GLU 7 -2.949 2.270 -7.046
41 2HG GLU 7 1HG GLU 7 -2.629 0.617 -6.543
42 H THR 8 H THR 8 -4.903 -1.695 -7.870
43 HA THR 8 HA THR 8 -5.250 -2.762 -5.192
44 HB THR 8 HB THR 8 -4.837 -4.980 -6.424
45 HG1 THR 8 1HG THR 8 -3.944 -3.623 -8.302
46 1HG2 THR 8 1HG2 THR 8 -7.059 -4.941 -6.145
47 2HG2 THR 8 2HG2 THR 8 -7.154 -4.352 -7.805
48 3HG2 THR 8 3HG2 THR 8 -7.145 -3.209 -6.463
49 H CYS 9 H CYS 9 -3.616 -4.005 -4.125
50 HA CYS 9 HA CYS 9 -0.944 -3.959 -5.248
51 1HB CYS 9 2HB CYS 9 -1.171 -1.762 -4.187
52 2HB CYS 9 1HB CYS 9 -1.625 -2.534 -2.674
53 H PHE 10 H PHE 10 -0.813 -6.131 -5.131
54 HA PHE 10 HA PHE 10 -1.458 -7.558 -2.702
55 1HB PHE 10 2HB PHE 10 -0.388 -8.468 -5.380
56 2HB PHE 10 1HB PHE 10 -0.756 -9.547 -4.051
57 HD1 PHE 10 1HD PHE 10 -2.733 -10.677 -4.205
58 HD2 PHE 10 2HD PHE 10 -2.466 -6.786 -5.910
59 HE1 PHE 10 1HE PHE 10 -5.047 -10.875 -5.014
60 HE2 PHE 10 2HE PHE 10 -4.783 -6.975 -6.715
61 HZ PHE 10 HZ PHE 10 -6.076 -9.022 -6.268
62 H LYS 11 H LYS 11 0.586 -5.761 -2.167
63 HA LYS 11 HA LYS 11 2.586 -7.437 -1.097
64 1HB LYS 11 2HB LYS 11 3.091 -7.168 -3.702
65 2HB LYS 11 1HB LYS 11 3.830 -5.670 -3.153
66 1HG LYS 11 2HG LYS 11 5.308 -6.881 -1.687
67 2HG LYS 11 1HG LYS 11 4.510 -8.403 -2.089
68 1HD LYS 11 2HD LYS 11 5.172 -8.001 -4.479
69 2HD LYS 11 1HD LYS 11 6.147 -6.645 -3.909
70 1HE LYS 11 2HE LYS 11 7.529 -8.620 -4.168
71 2HE LYS 11 1HE LYS 11 7.408 -8.180 -2.465
72 1HZ LYS 11 1HZ LYS 11 6.807 -10.629 -3.634
73 2HZ LYS 11 2HZ LYS 11 5.334 -9.972 -3.123
74 3HZ LYS 11 3HZ LYS 11 6.598 -10.177 -2.017
75 H PHE 12 H PHE 12 4.104 -4.657 -2.195
76 HA PHE 12 HA PHE 12 3.096 -2.856 -0.175
77 1HB PHE 12 2HB PHE 12 5.546 -2.527 0.656
78 2HB PHE 12 1HB PHE 12 4.586 -3.847 1.306
79 HD1 PHE 12 1HD PHE 12 5.747 -5.774 1.638
80 HD2 PHE 12 2HD PHE 12 6.799 -3.325 -1.679
81 HE1 PHE 12 1HE PHE 12 7.517 -7.367 1.028
82 HE2 PHE 12 2HE PHE 12 8.568 -4.917 -2.298
83 HZ PHE 12 HZ PHE 12 8.929 -6.942 -0.944
84 H LYS 13 H LYS 13 2.709 -2.304 -2.625
85 HA LYS 13 HA LYS 13 4.949 -0.958 -3.847
86 1HB LYS 13 2HB LYS 13 3.414 -2.291 -5.217
87 2HB LYS 13 1HB LYS 13 2.080 -1.258 -4.745
88 1HG LYS 13 2HG LYS 13 4.443 -0.120 -6.188
89 2HG LYS 13 1HG LYS 13 3.165 -0.957 -7.067
90 1HD LYS 13 2HD LYS 13 1.536 0.614 -5.929
91 2HD LYS 13 1HD LYS 13 2.938 1.534 -5.386
92 1HE LYS 13 2HE LYS 13 2.250 2.617 -7.343
93 2HE LYS 13 1HE LYS 13 3.613 1.619 -7.850
94 1HZ LYS 13 1HZ LYS 13 1.772 -0.087 -8.406
95 2HZ LYS 13 2HZ LYS 13 2.034 1.203 -9.463
96 3HZ LYS 13 3HZ LYS 13 0.733 1.252 -8.378
97 H CYS 14 H CYS 14 1.835 -0.026 -2.465
98 HA CYS 14 HA CYS 14 2.429 2.767 -2.930
99 1HB CYS 14 2HB CYS 14 0.076 1.484 -1.538
100 2HB CYS 14 1HB CYS 14 0.213 3.187 -1.969
101 H TYR 15 H TYR 15 4.331 2.829 -1.648
102 HA TYR 15 HA TYR 15 3.891 2.786 1.252
103 1HB TYR 15 2HB TYR 15 6.449 2.957 1.293
104 2HB TYR 15 1HB TYR 15 5.756 1.443 0.726
105 HD1 TYR 15 1HD TYR 15 6.766 0.496 -1.104
106 HD2 TYR 15 2HD TYR 15 6.796 4.736 -0.745
107 HE1 TYR 15 1HE TYR 15 8.078 0.659 -3.178
108 HE2 TYR 15 2HE TYR 15 8.105 4.909 -2.818
109 HH TYR 15 HH TYR 15 9.216 2.018 -4.537
110 H THR 16 H THR 16 3.684 4.894 -1.199
111 HA THR 16 HA THR 16 5.155 7.138 -0.299
112 HB THR 16 HB THR 16 2.636 7.241 -1.976
113 HG1 THR 16 1HG THR 16 3.695 6.189 -3.464
114 1HG2 THR 16 1HG2 THR 16 3.685 9.191 -2.969
115 2HG2 THR 16 2HG2 THR 16 5.129 8.949 -1.986
116 3HG2 THR 16 3HG2 THR 16 3.603 9.389 -1.219
117 HA PRO 17 HA PRO 17 2.944 8.430 3.331
118 1HB PRO 17 2HB PRO 17 3.419 11.114 2.095
119 2HB PRO 17 1HB PRO 17 3.673 10.585 3.762
120 1HG PRO 17 2HG PRO 17 5.729 10.814 2.091
121 2HG PRO 17 1HG PRO 17 5.644 9.475 3.250
122 1HD PRO 17 2HD PRO 17 5.221 9.463 0.309
123 2HD PRO 17 1HD PRO 17 5.833 8.179 1.369
124 H ARG 18 H ARG 18 0.900 8.854 3.847
125 HA ARG 18 HA ARG 18 -1.276 9.456 3.774
126 1HB ARG 18 2HB ARG 18 -0.555 11.592 2.798
127 2HB ARG 18 1HB ARG 18 -0.566 10.869 1.203
128 1HG ARG 18 2HG ARG 18 -2.523 12.314 1.673
129 2HG ARG 18 1HG ARG 18 -2.954 10.661 1.242
130 1HD ARG 18 2HD ARG 18 -2.679 11.465 4.117
131 2HD ARG 18 1HD ARG 18 -4.162 11.813 3.228
132 HE ARG 18 HE ARG 18 -3.556 9.128 2.805
133 1HH1 ARG 18 1HH1 ARG 18 -4.456 11.200 5.486
134 2HH1 ARG 18 2HH1 ARG 18 -5.218 9.928 6.381
135 1HH2 ARG 18 1HH2 ARG 18 -4.553 7.448 3.974
136 2HH2 ARG 18 2HH2 ARG 18 -5.269 7.779 5.519
137 H CYS 19 H CYS 19 0.173 7.230 2.185
138 HA CYS 19 HA CYS 19 -2.276 6.028 1.257
139 1HB CYS 19 2HB CYS 19 -1.516 7.093 -0.804
140 2HB CYS 19 1HB CYS 19 0.082 6.374 -0.611
141 H SER 20 H SER 20 -2.242 3.831 1.498
142 HA SER 20 HA SER 20 0.335 2.624 2.208
143 1HB SER 20 2HB SER 20 -1.575 1.389 3.845
144 2HB SER 20 1HB SER 20 -0.279 2.474 4.340
145 HG SER 20 HG SER 20 -2.661 3.573 3.331
146 H CYS 21 H CYS 21 0.688 0.702 1.407
147 HA CYS 21 HA CYS 21 -1.321 -0.462 -0.318
148 1HB CYS 21 2HB CYS 21 0.805 -0.493 -1.321
149 2HB CYS 21 1HB CYS 21 1.611 -1.049 0.138
150 H SER 22 H SER 22 -2.857 -1.128 1.170
151 HA SER 22 HA SER 22 -2.106 -3.098 3.161
152 1HB SER 22 2HB SER 22 -4.770 -1.797 2.507
153 2HB SER 22 1HB SER 22 -4.437 -2.829 3.886
154 HG SER 22 HG SER 22 -3.696 -0.189 3.423
155 H TYR 23 H TYR 23 -1.525 -4.746 1.744
156 HA TYR 23 HA TYR 23 -2.643 -5.598 -0.523
157 1HB TYR 23 2HB TYR 23 -1.639 -7.686 -0.226
158 2HB TYR 23 1HB TYR 23 -0.675 -6.609 0.770
159 HD1 TYR 23 1HD TYR 23 -0.597 -6.874 3.161
160 HD2 TYR 23 2HD TYR 23 -3.153 -9.323 0.795
161 HE1 TYR 23 1HE TYR 23 -0.909 -8.386 5.075
162 HE2 TYR 23 2HE TYR 23 -3.476 -10.838 2.709
163 HH TYR 23 HH TYR 23 -3.303 -10.500 5.375
164 HA PRO 24 HA PRO 24 -3.287 -6.340 -1.772
165 1HB PRO 24 2HB PRO 24 -5.042 -7.249 -3.526
166 2HB PRO 24 1HB PRO 24 -4.276 -8.353 -2.384
167 1HG PRO 24 2HG PRO 24 -7.057 -7.329 -2.432
168 2HG PRO 24 1HG PRO 24 -6.424 -8.833 -1.744
169 1HD PRO 24 2HD PRO 24 -6.942 -6.311 -0.408
170 2HD PRO 24 1HD PRO 24 -6.420 -7.853 0.305
171 H VAL 25 H VAL 25 -4.664 -3.945 -0.585
172 HA VAL 25 HA VAL 25 -5.313 -2.637 -3.140
173 HB VAL 25 HB VAL 25 -7.095 -2.137 -0.771
174 1HG1 VAL 25 1HG1 VAL 25 -8.600 -1.196 -2.454
175 2HG1 VAL 25 2HG1 VAL 25 -7.422 -1.578 -3.710
176 3HG1 VAL 25 3HG1 VAL 25 -7.024 -0.403 -2.458
177 1HG2 VAL 25 1HG2 VAL 25 -7.130 -4.479 -2.433
178 2HG2 VAL 25 2HG2 VAL 25 -8.598 -3.535 -2.682
179 3HG2 VAL 25 3HG2 VAL 25 -8.158 -4.069 -1.059
180 H CYS 26 H CYS 26 -4.845 -0.474 -3.218
181 HA CYS 26 HA CYS 26 -3.220 0.576 -1.045
182 1HB CYS 26 2HB CYS 26 -3.731 1.452 -3.886
183 2HB CYS 26 1HB CYS 26 -2.769 2.373 -2.753
184 H LYS 27 H LYS 27 -4.032 2.021 0.386
185 HA LYS 27 HA LYS 27 -6.088 3.884 -0.454
186 1HB LYS 27 2HB LYS 27 -6.552 1.639 1.435
187 2HB LYS 27 1HB LYS 27 -7.222 3.199 1.874
188 1HG LYS 27 2HG LYS 27 -7.762 1.688 -0.671
189 2HG LYS 27 1HG LYS 27 -8.855 1.839 0.704
190 1HD LYS 27 2HD LYS 27 -7.852 4.138 -0.979
191 2HD LYS 27 1HD LYS 27 -9.427 3.367 -1.154
192 1HE LYS 27 2HE LYS 27 -9.995 5.146 0.168
193 2HE LYS 27 1HE LYS 27 -9.629 3.948 1.406
194 1HZ LYS 27 1HZ LYS 27 -7.289 4.947 1.369
195 2HZ LYS 27 2HZ LYS 27 -8.518 5.865 2.083
196 3HZ LYS 27 3HZ LYS 27 -7.984 6.242 0.528
Start of MODEL 10
1 1H SER 1 1HT SER 1 8.671 9.886 -7.690
2 2H SER 1 2HT SER 1 9.055 11.506 -7.987
3 3H SER 1 3HT SER 1 8.643 10.486 -9.271
4 HA SER 1 HA SER 1 6.954 12.137 -7.912
5 1HB SER 1 2HB SER 1 6.813 11.144 -10.244
6 2HB SER 1 1HB SER 1 6.202 9.666 -9.503
7 HG SER 1 HG SER 1 4.419 10.828 -10.038
8 H ALA 2 H ALA 2 4.978 11.646 -6.709
9 HA ALA 2 HA ALA 2 5.481 9.958 -4.481
10 1HB ALA 2 1HB ALA 2 4.194 11.901 -4.085
11 2HB ALA 2 2HB ALA 2 3.087 10.542 -3.893
12 3HB ALA 2 3HB ALA 2 3.055 11.502 -5.372
13 H ILE 3 H ILE 3 4.900 7.894 -4.112
14 HA ILE 3 HA ILE 3 3.788 6.379 -6.269
15 HB ILE 3 HB ILE 3 4.495 5.368 -3.514
16 1HG1 ILE 3 2HG1 ILE 3 6.215 5.513 -6.005
17 2HG1 ILE 3 1HG1 ILE 3 6.410 6.524 -4.578
18 1HG2 ILE 3 1HG2 ILE 3 3.285 3.672 -4.525
19 2HG2 ILE 3 2HG2 ILE 3 4.933 3.272 -5.010
20 3HG2 ILE 3 3HG2 ILE 3 3.854 4.088 -6.142
21 1HD1 ILE 3 1HD1 ILE 3 7.581 4.034 -5.110
22 2HD1 ILE 3 2HD1 ILE 3 6.424 3.778 -3.803
23 3HD1 ILE 3 3HD1 ILE 3 7.689 4.994 -3.634
24 H SER 4 H SER 4 1.820 7.723 -6.095
25 HA SER 4 HA SER 4 -0.073 7.554 -4.080
26 1HB SER 4 2HB SER 4 -0.566 7.846 -7.050
27 2HB SER 4 1HB SER 4 -1.606 8.394 -5.743
28 HG SER 4 HG SER 4 0.833 9.446 -6.636
29 H CYS 5 H CYS 5 -2.048 6.333 -3.990
30 HA CYS 5 HA CYS 5 -1.673 3.590 -4.782
31 1HB CYS 5 2HB CYS 5 -3.868 4.837 -3.128
32 2HB CYS 5 1HB CYS 5 -3.404 3.141 -3.181
33 H GLY 6 H GLY 6 -4.871 4.099 -4.362
34 1HA GLY 6 2HA GLY 6 -6.722 4.161 -5.719
35 2HA GLY 6 1HA GLY 6 -5.744 5.032 -6.886
36 H GLU 7 H GLU 7 -5.062 1.789 -5.670
37 HA GLU 7 HA GLU 7 -6.201 0.434 -7.909
38 1HB GLU 7 2HB GLU 7 -4.215 -0.268 -9.044
39 2HB GLU 7 1HB GLU 7 -4.143 1.485 -8.925
40 1HG GLU 7 2HG GLU 7 -2.463 1.435 -7.325
41 2HG GLU 7 1HG GLU 7 -2.807 -0.235 -6.876
42 H THR 8 H THR 8 -5.323 -1.915 -7.955
43 HA THR 8 HA THR 8 -5.546 -2.974 -5.295
44 HB THR 8 HB THR 8 -5.137 -5.186 -6.561
45 HG1 THR 8 1HG THR 8 -4.264 -3.853 -8.427
46 1HG2 THR 8 1HG2 THR 8 -7.355 -5.231 -6.332
47 2HG2 THR 8 2HG2 THR 8 -7.497 -4.396 -7.880
48 3HG2 THR 8 3HG2 THR 8 -7.434 -3.470 -6.379
49 H CYS 9 H CYS 9 -3.927 -4.178 -4.173
50 HA CYS 9 HA CYS 9 -1.257 -4.234 -5.324
51 1HB CYS 9 2HB CYS 9 -1.430 -2.000 -4.322
52 2HB CYS 9 1HB CYS 9 -1.879 -2.719 -2.782
53 H PHE 10 H PHE 10 -1.351 -6.462 -5.168
54 HA PHE 10 HA PHE 10 -1.925 -7.755 -2.656
55 1HB PHE 10 2HB PHE 10 -1.025 -8.805 -5.346
56 2HB PHE 10 1HB PHE 10 -1.346 -9.827 -3.959
57 HD1 PHE 10 1HD PHE 10 -3.343 -10.934 -4.039
58 HD2 PHE 10 2HD PHE 10 -3.098 -7.031 -5.721
59 HE1 PHE 10 1HE PHE 10 -5.711 -11.069 -4.693
60 HE2 PHE 10 2HE PHE 10 -5.466 -7.159 -6.373
61 HZ PHE 10 HZ PHE 10 -6.776 -9.180 -5.859
62 H LYS 11 H LYS 11 0.360 -5.941 -2.725
63 HA LYS 11 HA LYS 11 2.324 -7.699 -1.544
64 1HB LYS 11 2HB LYS 11 2.922 -6.122 -4.045
65 2HB LYS 11 1HB LYS 11 4.188 -6.554 -2.908
66 1HG LYS 11 2HG LYS 11 2.413 -8.487 -4.387
67 2HG LYS 11 1HG LYS 11 4.091 -8.108 -4.779
68 1HD LYS 11 2HD LYS 11 3.186 -9.266 -2.143
69 2HD LYS 11 1HD LYS 11 3.775 -10.233 -3.496
70 1HE LYS 11 2HE LYS 11 5.347 -8.044 -2.141
71 2HE LYS 11 1HE LYS 11 5.499 -9.761 -1.768
72 1HZ LYS 11 1HZ LYS 11 6.959 -8.441 -3.613
73 2HZ LYS 11 2HZ LYS 11 5.756 -9.148 -4.571
74 3HZ LYS 11 3HZ LYS 11 6.727 -10.119 -3.582
75 H PHE 12 H PHE 12 3.922 -4.969 -2.469
76 HA PHE 12 HA PHE 12 2.872 -3.175 -0.445
77 1HB PHE 12 2HB PHE 12 5.688 -4.289 -0.297
78 2HB PHE 12 1HB PHE 12 5.127 -2.896 0.615
79 HD1 PHE 12 1HD PHE 12 3.583 -3.162 2.469
80 HD2 PHE 12 2HD PHE 12 5.065 -6.529 0.326
81 HE1 PHE 12 1HE PHE 12 2.859 -4.640 4.297
82 HE2 PHE 12 2HE PHE 12 4.337 -8.013 2.148
83 HZ PHE 12 HZ PHE 12 3.233 -7.069 4.137
84 H LYS 13 H LYS 13 2.530 -2.281 -2.760
85 HA LYS 13 HA LYS 13 4.936 -1.160 -3.930
86 1HB LYS 13 2HB LYS 13 2.052 -1.035 -4.776
87 2HB LYS 13 1HB LYS 13 3.334 -0.181 -5.616
88 1HG LYS 13 2HG LYS 13 4.429 -2.513 -5.825
89 2HG LYS 13 1HG LYS 13 2.808 -3.115 -5.457
90 1HD LYS 13 2HD LYS 13 3.593 -1.290 -7.732
91 2HD LYS 13 1HD LYS 13 3.073 -2.972 -7.856
92 1HE LYS 13 2HE LYS 13 0.864 -2.445 -7.249
93 2HE LYS 13 1HE LYS 13 1.322 -0.860 -6.632
94 1HZ LYS 13 1HZ LYS 13 1.468 0.014 -8.741
95 2HZ LYS 13 2HZ LYS 13 0.165 -1.053 -8.916
96 3HZ LYS 13 3HZ LYS 13 1.701 -1.488 -9.484
97 H CYS 14 H CYS 14 1.910 0.120 -2.601
98 HA CYS 14 HA CYS 14 2.928 2.816 -2.781
99 1HB CYS 14 2HB CYS 14 0.354 1.948 -1.477
100 2HB CYS 14 1HB CYS 14 0.745 3.518 -2.173
101 H TYR 15 H TYR 15 3.902 3.907 -1.248
102 HA TYR 15 HA TYR 15 3.336 3.472 1.530
103 1HB TYR 15 2HB TYR 15 5.783 3.144 2.116
104 2HB TYR 15 1HB TYR 15 4.966 1.761 1.405
105 HD1 TYR 15 1HD TYR 15 6.973 4.720 0.257
106 HD2 TYR 15 2HD TYR 15 6.128 0.572 -0.160
107 HE1 TYR 15 1HE TYR 15 8.751 4.532 -1.431
108 HE2 TYR 15 2HE TYR 15 7.901 0.373 -1.849
109 HH TYR 15 HH TYR 15 9.253 1.567 -3.245
110 H THR 16 H THR 16 3.312 5.543 -0.620
111 HA THR 16 HA THR 16 5.172 7.545 0.355
112 HB THR 16 HB THR 16 3.043 7.623 -1.818
113 HG1 THR 16 1HG THR 16 5.652 6.935 -1.713
114 1HG2 THR 16 1HG2 THR 16 4.626 9.817 -0.565
115 2HG2 THR 16 2HG2 THR 16 3.007 9.847 -1.262
116 3HG2 THR 16 3HG2 THR 16 4.420 9.839 -2.318
117 HA PRO 17 HA PRO 17 2.908 9.089 3.816
118 1HB PRO 17 2HB PRO 17 3.032 11.755 2.612
119 2HB PRO 17 1HB PRO 17 3.755 11.164 4.108
120 1HG PRO 17 2HG PRO 17 4.972 11.466 1.493
121 2HG PRO 17 1HG PRO 17 5.743 11.076 3.037
122 1HD PRO 17 2HD PRO 17 5.547 9.315 0.959
123 2HD PRO 17 1HD PRO 17 5.623 8.813 2.661
124 H ARG 18 H ARG 18 0.843 8.995 4.176
125 HA ARG 18 HA ARG 18 -1.391 9.364 4.148
126 1HB ARG 18 2HB ARG 18 -0.779 11.671 3.391
127 2HB ARG 18 1HB ARG 18 -0.912 11.109 1.738
128 1HG ARG 18 2HG ARG 18 -3.324 10.503 2.312
129 2HG ARG 18 1HG ARG 18 -3.085 11.455 3.777
130 1HD ARG 18 2HD ARG 18 -4.082 12.889 2.161
131 2HD ARG 18 1HD ARG 18 -2.394 13.368 2.312
132 HE ARG 18 HE ARG 18 -3.674 12.139 0.009
133 1HH1 ARG 18 1HH1 ARG 18 -0.689 13.227 1.485
134 2HH1 ARG 18 2HH1 ARG 18 0.232 13.092 0.027
135 1HH2 ARG 18 1HH2 ARG 18 -2.464 11.978 -1.923
136 2HH2 ARG 18 2HH2 ARG 18 -0.781 12.389 -1.918
137 H CYS 19 H CYS 19 0.234 7.428 2.410
138 HA CYS 19 HA CYS 19 -2.060 6.226 1.121
139 1HB CYS 19 2HB CYS 19 -0.401 7.815 -0.431
140 2HB CYS 19 1HB CYS 19 0.235 6.195 -0.694
141 H SER 20 H SER 20 -1.921 3.995 1.194
142 HA SER 20 HA SER 20 0.683 2.768 1.606
143 1HB SER 20 2HB SER 20 -0.573 1.504 3.607
144 2HB SER 20 1HB SER 20 0.422 2.938 3.840
145 HG SER 20 HG SER 20 -2.174 3.501 3.148
146 H CYS 21 H CYS 21 0.873 0.725 1.066
147 HA CYS 21 HA CYS 21 -1.320 -0.424 -0.441
148 1HB CYS 21 2HB CYS 21 0.760 -0.634 -1.554
149 2HB CYS 21 1HB CYS 21 1.582 -1.198 -0.104
150 H SER 22 H SER 22 -2.802 -1.026 1.042
151 HA SER 22 HA SER 22 -2.020 -2.851 3.185
152 1HB SER 22 2HB SER 22 -3.568 -0.956 3.713
153 2HB SER 22 1HB SER 22 -4.726 -1.616 2.561
154 HG SER 22 HG SER 22 -4.927 -3.439 3.854
155 H TYR 23 H TYR 23 -1.485 -4.587 1.866
156 HA TYR 23 HA TYR 23 -2.683 -5.597 -0.297
157 1HB TYR 23 2HB TYR 23 -1.692 -7.683 0.133
158 2HB TYR 23 1HB TYR 23 -0.657 -6.513 0.936
159 HD1 TYR 23 1HD TYR 23 -0.380 -6.542 3.319
160 HD2 TYR 23 2HD TYR 23 -3.150 -9.172 1.439
161 HE1 TYR 23 1HE TYR 23 -0.550 -7.840 5.401
162 HE2 TYR 23 2HE TYR 23 -3.332 -10.473 3.522
163 HH TYR 23 HH TYR 23 -2.904 -9.790 6.162
164 HA PRO 24 HA PRO 24 -3.315 -6.634 -1.438
165 1HB PRO 24 2HB PRO 24 -5.141 -7.645 -3.059
166 2HB PRO 24 1HB PRO 24 -4.393 -8.657 -1.823
167 1HG PRO 24 2HG PRO 24 -7.122 -7.486 -1.906
168 2HG PRO 24 1HG PRO 24 -6.564 -8.986 -1.147
169 1HD PRO 24 2HD PRO 24 -6.947 -6.418 0.085
170 2HD PRO 24 1HD PRO 24 -6.361 -7.915 0.841
171 H VAL 25 H VAL 25 -4.530 -4.075 -0.484
172 HA VAL 25 HA VAL 25 -5.163 -3.002 -3.142
173 HB VAL 25 HB VAL 25 -6.886 -2.158 -0.832
174 1HG1 VAL 25 1HG1 VAL 25 -7.474 -2.015 -3.771
175 2HG1 VAL 25 2HG1 VAL 25 -6.607 -0.750 -2.900
176 3HG1 VAL 25 3HG1 VAL 25 -8.265 -1.152 -2.452
177 1HG2 VAL 25 1HG2 VAL 25 -7.086 -4.662 -2.261
178 2HG2 VAL 25 2HG2 VAL 25 -8.525 -3.669 -2.497
179 3HG2 VAL 25 3HG2 VAL 25 -7.999 -4.086 -0.866
180 H CYS 26 H CYS 26 -4.518 -0.910 -3.428
181 HA CYS 26 HA CYS 26 -2.851 0.218 -1.334
182 1HB CYS 26 2HB CYS 26 -3.136 0.551 -4.270
183 2HB CYS 26 1HB CYS 26 -2.643 1.969 -3.366
184 H LYS 27 H LYS 27 -3.621 1.721 0.017
185 HA LYS 27 HA LYS 27 -5.824 3.433 -0.901
186 1HB LYS 27 2HB LYS 27 -6.946 1.898 0.496
187 2HB LYS 27 1HB LYS 27 -5.630 1.861 1.659
188 1HG LYS 27 2HG LYS 27 -7.564 3.066 2.522
189 2HG LYS 27 1HG LYS 27 -6.160 4.122 2.367
190 1HD LYS 27 2HD LYS 27 -7.259 4.569 -0.018
191 2HD LYS 27 1HD LYS 27 -8.720 4.124 0.867
192 1HE LYS 27 2HE LYS 27 -8.390 6.526 0.951
193 2HE LYS 27 1HE LYS 27 -8.195 5.828 2.559
194 1HZ LYS 27 1HZ LYS 27 -6.449 7.515 1.421
195 2HZ LYS 27 2HZ LYS 27 -5.746 6.029 1.016
196 3HZ LYS 27 3HZ LYS 27 -6.044 6.414 2.638
Start of MODEL 11
1 1H SER 1 1HT SER 1 4.237 16.118 -5.055
2 2H SER 1 2HT SER 1 2.752 16.549 -4.367
3 3H SER 1 3HT SER 1 2.815 16.001 -5.967
4 HA SER 1 HA SER 1 2.750 13.882 -5.382
5 1HB SER 1 2HB SER 1 5.150 14.166 -4.663
6 2HB SER 1 1HB SER 1 4.566 14.539 -3.042
7 HG SER 1 HG SER 1 5.147 12.314 -3.333
8 H ALA 2 H ALA 2 1.338 12.661 -4.116
9 HA ALA 2 HA ALA 2 0.436 13.454 -1.541
10 1HB ALA 2 1HB ALA 2 -1.991 13.821 -2.434
11 2HB ALA 2 2HB ALA 2 -1.175 14.274 -3.929
12 3HB ALA 2 3HB ALA 2 -0.847 15.163 -2.442
13 H ILE 3 H ILE 3 -2.311 12.370 -2.238
14 HA ILE 3 HA ILE 3 -1.665 9.608 -1.879
15 HB ILE 3 HB ILE 3 -4.445 10.690 -2.315
16 1HG1 ILE 3 2HG1 ILE 3 -4.379 10.581 0.340
17 2HG1 ILE 3 1HG1 ILE 3 -2.671 10.917 0.079
18 1HG2 ILE 3 1HG2 ILE 3 -3.680 8.146 -2.138
19 2HG2 ILE 3 2HG2 ILE 3 -5.212 8.720 -1.477
20 3HG2 ILE 3 3HG2 ILE 3 -3.821 8.502 -0.415
21 1HD1 ILE 3 1HD1 ILE 3 -3.119 13.065 -0.165
22 2HD1 ILE 3 2HD1 ILE 3 -4.822 12.731 0.147
23 3HD1 ILE 3 3HD1 ILE 3 -4.208 12.713 -1.506
24 H SER 4 H SER 4 -0.570 10.097 -4.189
25 HA SER 4 HA SER 4 -2.281 9.763 -6.449
26 1HB SER 4 2HB SER 4 0.721 9.482 -6.212
27 2HB SER 4 1HB SER 4 -0.200 9.724 -7.688
28 HG SER 4 HG SER 4 -0.883 11.748 -6.818
29 H CYS 5 H CYS 5 -3.121 7.763 -5.038
30 HA CYS 5 HA CYS 5 -1.811 5.381 -6.120
31 1HB CYS 5 2HB CYS 5 -3.082 5.824 -3.419
32 2HB CYS 5 1HB CYS 5 -2.623 4.246 -4.029
33 H GLY 6 H GLY 6 -4.503 4.694 -4.260
34 1HA GLY 6 2HA GLY 6 -6.688 4.149 -4.722
35 2HA GLY 6 1HA GLY 6 -6.596 5.229 -6.105
36 H GLU 7 H GLU 7 -4.660 2.353 -5.422
37 HA GLU 7 HA GLU 7 -5.980 0.939 -7.614
38 1HB GLU 7 2HB GLU 7 -3.813 0.263 -8.559
39 2HB GLU 7 1HB GLU 7 -4.026 2.008 -8.622
40 1HG GLU 7 2HG GLU 7 -2.517 2.355 -6.849
41 2HG GLU 7 1HG GLU 7 -2.511 0.648 -6.417
42 H THR 8 H THR 8 -4.884 -1.347 -7.743
43 HA THR 8 HA THR 8 -5.059 -2.468 -5.053
44 HB THR 8 HB THR 8 -5.136 -4.667 -6.348
45 HG1 THR 8 1HG THR 8 -4.296 -3.464 -8.319
46 1HG2 THR 8 1HG2 THR 8 -7.163 -2.585 -6.101
47 2HG2 THR 8 2HG2 THR 8 -7.269 -4.312 -5.757
48 3HG2 THR 8 3HG2 THR 8 -7.503 -3.725 -7.404
49 H CYS 9 H CYS 9 -3.444 -3.806 -4.181
50 HA CYS 9 HA CYS 9 -1.033 -4.269 -5.698
51 1HB CYS 9 2HB CYS 9 0.451 -3.197 -4.075
52 2HB CYS 9 1HB CYS 9 -0.652 -2.021 -4.776
53 H PHE 10 H PHE 10 -1.130 -6.396 -5.460
54 HA PHE 10 HA PHE 10 -1.854 -7.699 -3.021
55 1HB PHE 10 2HB PHE 10 -0.764 -8.728 -5.644
56 2HB PHE 10 1HB PHE 10 -1.209 -9.769 -4.305
57 HD1 PHE 10 1HD PHE 10 -2.721 -6.958 -6.257
58 HD2 PHE 10 2HD PHE 10 -3.262 -10.762 -4.426
59 HE1 PHE 10 1HE PHE 10 -5.041 -7.015 -7.071
60 HE2 PHE 10 2HE PHE 10 -5.583 -10.825 -5.237
61 HZ PHE 10 HZ PHE 10 -6.475 -8.950 -6.562
62 H LYS 11 H LYS 11 0.185 -6.112 -2.297
63 HA LYS 11 HA LYS 11 2.014 -7.807 -1.058
64 1HB LYS 11 2HB LYS 11 4.120 -7.085 -2.263
65 2HB LYS 11 1HB LYS 11 3.101 -8.210 -3.144
66 1HG LYS 11 2HG LYS 11 2.166 -6.258 -4.398
67 2HG LYS 11 1HG LYS 11 3.382 -5.250 -3.611
68 1HD LYS 11 2HD LYS 11 3.943 -7.647 -5.358
69 2HD LYS 11 1HD LYS 11 4.094 -5.961 -5.851
70 1HE LYS 11 2HE LYS 11 5.824 -5.619 -4.159
71 2HE LYS 11 1HE LYS 11 5.659 -7.296 -3.643
72 1HZ LYS 11 1HZ LYS 11 7.042 -7.927 -5.236
73 2HZ LYS 11 2HZ LYS 11 7.315 -6.304 -5.625
74 3HZ LYS 11 3HZ LYS 11 6.111 -7.175 -6.432
75 H PHE 12 H PHE 12 4.039 -5.417 -1.813
76 HA PHE 12 HA PHE 12 2.864 -3.379 -0.066
77 1HB PHE 12 2HB PHE 12 5.631 -4.581 0.226
78 2HB PHE 12 1HB PHE 12 5.127 -3.088 1.007
79 HD1 PHE 12 1HD PHE 12 3.964 -3.122 3.034
80 HD2 PHE 12 2HD PHE 12 4.434 -6.725 0.819
81 HE1 PHE 12 1HE PHE 12 3.111 -4.408 4.950
82 HE2 PHE 12 2HE PHE 12 3.576 -8.015 2.728
83 HZ PHE 12 HZ PHE 12 2.913 -6.857 4.798
84 H LYS 13 H LYS 13 2.546 -2.708 -2.403
85 HA LYS 13 HA LYS 13 4.919 -1.697 -3.715
86 1HB LYS 13 2HB LYS 13 3.255 -2.749 -5.113
87 2HB LYS 13 1HB LYS 13 2.011 -1.658 -4.520
88 1HG LYS 13 2HG LYS 13 3.475 0.216 -5.490
89 2HG LYS 13 1HG LYS 13 4.296 -1.075 -6.368
90 1HD LYS 13 2HD LYS 13 2.229 -1.724 -7.434
91 2HD LYS 13 1HD LYS 13 1.324 -0.560 -6.463
92 1HE LYS 13 2HE LYS 13 2.684 1.255 -7.494
93 2HE LYS 13 1HE LYS 13 3.410 0.048 -8.552
94 1HZ LYS 13 1HZ LYS 13 1.719 0.441 -9.920
95 2HZ LYS 13 2HZ LYS 13 0.886 1.365 -8.769
96 3HZ LYS 13 3HZ LYS 13 0.696 -0.314 -8.803
97 H CYS 14 H CYS 14 1.910 -0.325 -2.449
98 HA CYS 14 HA CYS 14 2.908 2.351 -2.885
99 1HB CYS 14 2HB CYS 14 0.310 1.390 -1.687
100 2HB CYS 14 1HB CYS 14 0.697 3.063 -2.070
101 H TYR 15 H TYR 15 3.656 3.713 -1.457
102 HA TYR 15 HA TYR 15 3.241 3.480 1.366
103 1HB TYR 15 2HB TYR 15 5.797 3.463 1.785
104 2HB TYR 15 1HB TYR 15 5.006 1.934 1.428
105 HD1 TYR 15 1HD TYR 15 6.639 4.730 -0.470
106 HD2 TYR 15 2HD TYR 15 6.109 0.529 -0.017
107 HE1 TYR 15 1HE TYR 15 8.226 4.337 -2.305
108 HE2 TYR 15 2HE TYR 15 7.699 0.129 -1.850
109 HH TYR 15 HH TYR 15 8.701 1.186 -3.682
110 H THR 16 H THR 16 2.738 5.255 -0.772
111 HA THR 16 HA THR 16 4.511 7.512 -0.616
112 HB THR 16 HB THR 16 2.047 8.238 -1.795
113 HG1 THR 16 1HG THR 16 1.452 6.496 -2.968
114 1HG2 THR 16 1HG2 THR 16 3.330 8.591 -3.688
115 2HG2 THR 16 2HG2 THR 16 4.331 7.166 -3.403
116 3HG2 THR 16 3HG2 THR 16 4.561 8.616 -2.424
117 HA PRO 17 HA PRO 17 2.676 9.957 2.581
118 1HB PRO 17 2HB PRO 17 1.636 12.174 1.237
119 2HB PRO 17 1HB PRO 17 3.287 12.017 1.840
120 1HG PRO 17 2HG PRO 17 2.223 11.581 -0.911
121 2HG PRO 17 1HG PRO 17 3.772 12.279 -0.401
122 1HD PRO 17 2HD PRO 17 3.620 9.782 -1.347
123 2HD PRO 17 1HD PRO 17 4.726 10.196 -0.020
124 H ARG 18 H ARG 18 0.931 9.245 3.538
125 HA ARG 18 HA ARG 18 -1.183 8.689 4.052
126 1HB ARG 18 2HB ARG 18 -1.581 11.092 3.652
127 2HB ARG 18 1HB ARG 18 -1.923 10.747 1.969
128 1HG ARG 18 2HG ARG 18 -3.900 11.121 3.549
129 2HG ARG 18 1HG ARG 18 -3.969 9.737 2.461
130 1HD ARG 18 2HD ARG 18 -2.881 9.403 5.230
131 2HD ARG 18 1HD ARG 18 -4.625 9.467 4.976
132 HE ARG 18 HE ARG 18 -3.650 7.633 3.149
133 1HH1 ARG 18 1HH1 ARG 18 -3.736 7.936 6.641
134 2HH1 ARG 18 2HH1 ARG 18 -3.710 6.227 6.913
135 1HH2 ARG 18 1HH2 ARG 18 -3.621 5.392 3.490
136 2HH2 ARG 18 2HH2 ARG 18 -3.627 4.772 5.116
137 H CYS 19 H CYS 19 0.147 7.036 2.334
138 HA CYS 19 HA CYS 19 -2.090 5.710 1.082
139 1HB CYS 19 2HB CYS 19 -1.339 6.977 -0.810
140 2HB CYS 19 1HB CYS 19 0.343 6.560 -0.492
141 H SER 20 H SER 20 -1.986 3.791 2.029
142 HA SER 20 HA SER 20 0.667 2.550 2.324
143 1HB SER 20 2HB SER 20 -1.110 1.232 4.050
144 2HB SER 20 1HB SER 20 0.188 2.336 4.491
145 HG SER 20 HG SER 20 -2.500 3.059 3.868
146 H CYS 21 H CYS 21 0.981 0.576 1.495
147 HA CYS 21 HA CYS 21 -1.104 -0.466 -0.209
148 1HB CYS 21 2HB CYS 21 1.148 -0.470 -1.090
149 2HB CYS 21 1HB CYS 21 1.729 -1.428 0.264
150 H SER 22 H SER 22 -2.651 -1.064 1.302
151 HA SER 22 HA SER 22 -2.014 -3.170 3.190
152 1HB SER 22 2HB SER 22 -4.594 -2.852 3.568
153 2HB SER 22 1HB SER 22 -3.484 -1.626 4.171
154 HG SER 22 HG SER 22 -4.584 -1.430 1.582
155 H TYR 23 H TYR 23 -1.462 -4.724 1.644
156 HA TYR 23 HA TYR 23 -2.616 -5.432 -0.647
157 1HB TYR 23 2HB TYR 23 -1.655 -7.554 -0.477
158 2HB TYR 23 1HB TYR 23 -0.660 -6.553 0.567
159 HD1 TYR 23 1HD TYR 23 -0.554 -6.961 2.935
160 HD2 TYR 23 2HD TYR 23 -3.200 -9.209 0.469
161 HE1 TYR 23 1HE TYR 23 -0.875 -8.575 4.762
162 HE2 TYR 23 2HE TYR 23 -3.533 -10.826 2.297
163 HH TYR 23 HH TYR 23 -3.317 -10.657 4.969
164 HA PRO 24 HA PRO 24 -3.266 -6.138 -1.930
165 1HB PRO 24 2HB PRO 24 -5.066 -6.875 -3.729
166 2HB PRO 24 1HB PRO 24 -4.317 -8.070 -2.670
167 1HG PRO 24 2HG PRO 24 -7.071 -6.984 -2.625
168 2HG PRO 24 1HG PRO 24 -6.464 -8.537 -2.028
169 1HD PRO 24 2HD PRO 24 -6.921 -6.087 -0.548
170 2HD PRO 24 1HD PRO 24 -6.423 -7.676 0.071
171 H VAL 25 H VAL 25 -4.447 -3.740 -0.643
172 HA VAL 25 HA VAL 25 -5.151 -2.306 -3.116
173 HB VAL 25 HB VAL 25 -6.727 -1.733 -0.628
174 1HG1 VAL 25 1HG1 VAL 25 -7.787 -1.264 -3.342
175 2HG1 VAL 25 2HG1 VAL 25 -6.439 -0.254 -2.817
176 3HG1 VAL 25 3HG1 VAL 25 -7.931 -0.292 -1.878
177 1HG2 VAL 25 1HG2 VAL 25 -8.574 -3.055 -1.410
178 2HG2 VAL 25 2HG2 VAL 25 -7.155 -4.094 -1.284
179 3HG2 VAL 25 3HG2 VAL 25 -7.686 -3.514 -2.863
180 H CYS 26 H CYS 26 -4.457 -0.225 -3.194
181 HA CYS 26 HA CYS 26 -2.606 0.640 -1.147
182 1HB CYS 26 2HB CYS 26 -3.366 1.719 -3.863
183 2HB CYS 26 1HB CYS 26 -2.206 2.489 -2.804
184 H LYS 27 H LYS 27 -3.493 1.645 0.570
185 HA LYS 27 HA LYS 27 -5.236 3.925 0.096
186 1HB LYS 27 2HB LYS 27 -5.920 1.496 1.727
187 2HB LYS 27 1HB LYS 27 -6.573 3.063 2.155
188 1HG LYS 27 2HG LYS 27 -6.933 1.694 -0.499
189 2HG LYS 27 1HG LYS 27 -8.126 1.742 0.800
190 1HD LYS 27 2HD LYS 27 -7.044 4.089 -0.759
191 2HD LYS 27 1HD LYS 27 -8.673 3.418 -0.850
192 1HE LYS 27 2HE LYS 27 -7.405 4.792 1.516
193 2HE LYS 27 1HE LYS 27 -8.704 5.416 0.502
194 1HZ LYS 27 1HZ LYS 27 -9.885 4.593 2.252
195 2HZ LYS 27 2HZ LYS 27 -8.790 3.344 2.570
196 3HZ LYS 27 3HZ LYS 27 -9.862 3.216 1.268
Start of MODEL 12
1 1H SER 1 1HT SER 1 -3.593 12.933 -10.483
2 2H SER 1 2HT SER 1 -2.987 13.090 -8.911
3 3H SER 1 3HT SER 1 -3.062 11.564 -9.640
4 HA SER 1 HA SER 1 -1.200 11.855 -10.816
5 1HB SER 1 2HB SER 1 -1.679 14.831 -10.950
6 2HB SER 1 1HB SER 1 -0.776 13.813 -12.077
7 HG SER 1 HG SER 1 -2.711 14.125 -13.047
8 H ALA 2 H ALA 2 -0.897 11.483 -8.257
9 HA ALA 2 HA ALA 2 1.472 12.900 -7.568
10 1HB ALA 2 1HB ALA 2 0.677 13.871 -5.445
11 2HB ALA 2 2HB ALA 2 -0.974 13.425 -5.875
12 3HB ALA 2 3HB ALA 2 -0.098 14.610 -6.845
13 H ILE 3 H ILE 3 -1.148 11.366 -5.700
14 HA ILE 3 HA ILE 3 0.625 9.752 -4.204
15 HB ILE 3 HB ILE 3 -2.354 9.421 -4.595
16 1HG1 ILE 3 2HG1 ILE 3 -1.808 11.634 -3.710
17 2HG1 ILE 3 1HG1 ILE 3 -2.565 10.646 -2.466
18 1HG2 ILE 3 1HG2 ILE 3 -1.000 7.464 -3.672
19 2HG2 ILE 3 2HG2 ILE 3 -2.382 8.014 -2.725
20 3HG2 ILE 3 3HG2 ILE 3 -0.748 8.471 -2.246
21 1HD1 ILE 3 1HD1 ILE 3 -0.337 10.188 -1.522
22 2HD1 ILE 3 2HD1 ILE 3 -0.742 11.905 -1.528
23 3HD1 ILE 3 3HD1 ILE 3 0.370 11.257 -2.733
24 H SER 4 H SER 4 1.610 7.947 -4.840
25 HA SER 4 HA SER 4 0.999 6.721 -7.347
26 1HB SER 4 2HB SER 4 2.961 5.779 -5.264
27 2HB SER 4 1HB SER 4 3.002 5.520 -7.001
28 HG SER 4 HG SER 4 3.003 8.028 -6.918
29 H CYS 5 H CYS 5 -1.265 6.316 -5.996
30 HA CYS 5 HA CYS 5 -1.180 3.482 -5.354
31 1HB CYS 5 2HB CYS 5 -2.749 5.628 -3.904
32 2HB CYS 5 1HB CYS 5 -2.894 3.908 -3.630
33 H GLY 6 H GLY 6 -4.185 4.596 -4.816
34 1HA GLY 6 2HA GLY 6 -6.178 4.537 -5.943
35 2HA GLY 6 1HA GLY 6 -5.287 5.177 -7.312
36 H GLU 7 H GLU 7 -4.635 2.053 -5.823
37 HA GLU 7 HA GLU 7 -6.184 0.530 -7.667
38 1HB GLU 7 2HB GLU 7 -4.293 -0.521 -8.866
39 2HB GLU 7 1HB GLU 7 -4.469 1.185 -9.248
40 1HG GLU 7 2HG GLU 7 -2.554 1.776 -8.098
41 2HG GLU 7 1HG GLU 7 -2.574 0.315 -7.112
42 H THR 8 H THR 8 -5.022 -1.820 -7.696
43 HA THR 8 HA THR 8 -5.066 -2.628 -4.918
44 HB THR 8 HB THR 8 -4.861 -4.954 -5.934
45 HG1 THR 8 1HG THR 8 -5.718 -4.415 -8.359
46 1HG2 THR 8 1HG2 THR 8 -7.146 -3.104 -6.566
47 2HG2 THR 8 2HG2 THR 8 -7.021 -4.294 -5.271
48 3HG2 THR 8 3HG2 THR 8 -7.211 -4.825 -6.942
49 H CYS 9 H CYS 9 -3.404 -4.338 -4.224
50 HA CYS 9 HA CYS 9 -0.835 -4.055 -5.493
51 1HB CYS 9 2HB CYS 9 0.307 -3.273 -3.442
52 2HB CYS 9 1HB CYS 9 -0.805 -2.085 -4.105
53 H PHE 10 H PHE 10 -0.621 -6.187 -5.782
54 HA PHE 10 HA PHE 10 -1.045 -8.070 -3.621
55 1HB PHE 10 2HB PHE 10 -0.158 -8.340 -6.496
56 2HB PHE 10 1HB PHE 10 -0.107 -9.694 -5.379
57 HD1 PHE 10 1HD PHE 10 -1.809 -11.175 -5.735
58 HD2 PHE 10 2HD PHE 10 -2.601 -7.014 -6.144
59 HE1 PHE 10 1HE PHE 10 -4.167 -11.675 -6.226
60 HE2 PHE 10 2HE PHE 10 -4.960 -7.506 -6.634
61 HZ PHE 10 HZ PHE 10 -5.747 -9.840 -6.675
62 H LYS 11 H LYS 11 0.728 -6.044 -3.165
63 HA LYS 11 HA LYS 11 2.946 -7.231 -1.984
64 1HB LYS 11 2HB LYS 11 3.667 -7.369 -4.438
65 2HB LYS 11 1HB LYS 11 3.646 -5.612 -4.458
66 1HG LYS 11 2HG LYS 11 5.353 -5.597 -2.682
67 2HG LYS 11 1HG LYS 11 5.404 -7.361 -2.749
68 1HD LYS 11 2HD LYS 11 6.032 -7.204 -5.143
69 2HD LYS 11 1HD LYS 11 6.088 -5.448 -4.980
70 1HE LYS 11 2HE LYS 11 8.322 -6.327 -4.802
71 2HE LYS 11 1HE LYS 11 7.819 -5.707 -3.230
72 1HZ LYS 11 1HZ LYS 11 8.781 -8.233 -3.803
73 2HZ LYS 11 2HZ LYS 11 7.135 -8.444 -3.474
74 3HZ LYS 11 3HZ LYS 11 8.135 -7.694 -2.334
75 H PHE 12 H PHE 12 4.151 -5.427 -0.853
76 HA PHE 12 HA PHE 12 2.345 -3.232 -0.378
77 1HB PHE 12 2HB PHE 12 4.935 -4.084 0.897
78 2HB PHE 12 1HB PHE 12 4.160 -2.559 1.307
79 HD1 PHE 12 1HD PHE 12 2.956 -6.069 0.795
80 HD2 PHE 12 2HD PHE 12 3.091 -2.645 3.320
81 HE1 PHE 12 1HE PHE 12 1.527 -7.222 2.431
82 HE2 PHE 12 2HE PHE 12 1.664 -3.795 4.960
83 HZ PHE 12 HZ PHE 12 0.880 -6.087 4.517
84 H LYS 13 H LYS 13 2.757 -2.749 -2.733
85 HA LYS 13 HA LYS 13 5.086 -1.047 -3.133
86 1HB LYS 13 2HB LYS 13 4.464 -1.073 -5.510
87 2HB LYS 13 1HB LYS 13 4.595 -2.707 -4.874
88 1HG LYS 13 2HG LYS 13 2.271 -3.014 -4.865
89 2HG LYS 13 1HG LYS 13 1.955 -1.286 -5.020
90 1HD LYS 13 2HD LYS 13 2.971 -1.367 -7.290
91 2HD LYS 13 1HD LYS 13 3.107 -3.118 -7.121
92 1HE LYS 13 2HE LYS 13 1.119 -2.546 -8.390
93 2HE LYS 13 1HE LYS 13 0.673 -3.272 -6.848
94 1HZ LYS 13 1HZ LYS 13 0.128 -0.630 -7.870
95 2HZ LYS 13 2HZ LYS 13 0.718 -0.627 -6.280
96 3HZ LYS 13 3HZ LYS 13 -0.673 -1.515 -6.663
97 H CYS 14 H CYS 14 3.046 -0.055 -1.395
98 HA CYS 14 HA CYS 14 2.460 2.395 -2.845
99 1HB CYS 14 2HB CYS 14 0.331 0.700 -1.545
100 2HB CYS 14 1HB CYS 14 0.109 2.416 -1.862
101 H TYR 15 H TYR 15 4.383 2.474 -1.233
102 HA TYR 15 HA TYR 15 3.446 3.206 1.439
103 1HB TYR 15 2HB TYR 15 6.029 3.409 1.798
104 2HB TYR 15 1HB TYR 15 5.285 1.817 1.715
105 HD1 TYR 15 1HD TYR 15 7.083 4.333 -0.368
106 HD2 TYR 15 2HD TYR 15 6.043 0.238 0.172
107 HE1 TYR 15 1HE TYR 15 8.607 3.710 -2.194
108 HE2 TYR 15 2HE TYR 15 7.570 -0.392 -1.649
109 HH TYR 15 HH TYR 15 9.789 0.800 -2.691
110 H THR 16 H THR 16 2.810 4.784 -0.814
111 HA THR 16 HA THR 16 4.482 7.092 -0.987
112 HB THR 16 HB THR 16 1.555 6.929 -1.719
113 HG1 THR 16 1HG THR 16 3.788 6.042 -3.262
114 1HG2 THR 16 1HG2 THR 16 2.282 8.434 -3.567
115 2HG2 THR 16 2HG2 THR 16 3.890 8.482 -2.842
116 3HG2 THR 16 3HG2 THR 16 2.506 9.132 -1.962
117 HA PRO 17 HA PRO 17 3.366 9.232 2.747
118 1HB PRO 17 2HB PRO 17 3.104 11.582 0.915
119 2HB PRO 17 1HB PRO 17 3.962 11.448 2.456
120 1HG PRO 17 2HG PRO 17 5.298 11.393 0.156
121 2HG PRO 17 1HG PRO 17 5.768 10.345 1.507
122 1HD PRO 17 2HD PRO 17 4.370 9.656 -1.027
123 2HD PRO 17 1HD PRO 17 5.481 8.680 -0.046
124 H ARG 18 H ARG 18 1.478 9.174 3.691
125 HA ARG 18 HA ARG 18 -0.689 9.439 4.231
126 1HB ARG 18 2HB ARG 18 -0.327 11.726 3.260
127 2HB ARG 18 1HB ARG 18 -0.953 11.114 1.743
128 1HG ARG 18 2HG ARG 18 -3.112 10.697 2.759
129 2HG ARG 18 1HG ARG 18 -2.486 11.176 4.338
130 1HD ARG 18 2HD ARG 18 -3.790 12.964 3.286
131 2HD ARG 18 1HD ARG 18 -2.109 13.430 3.534
132 HE ARG 18 HE ARG 18 -1.951 13.754 1.295
133 1HH1 ARG 18 1HH1 ARG 18 -4.537 11.454 1.835
134 2HH1 ARG 18 2HH1 ARG 18 -4.967 11.351 0.162
135 1HH2 ARG 18 1HH2 ARG 18 -2.522 13.627 -0.912
136 2HH2 ARG 18 2HH2 ARG 18 -3.819 12.591 -1.404
137 H CYS 19 H CYS 19 0.314 7.298 2.492
138 HA CYS 19 HA CYS 19 -2.249 6.187 1.772
139 1HB CYS 19 2HB CYS 19 -1.571 7.273 -0.355
140 2HB CYS 19 1HB CYS 19 -0.064 6.360 -0.324
141 H SER 20 H SER 20 -2.206 3.904 1.735
142 HA SER 20 HA SER 20 0.369 2.637 2.250
143 1HB SER 20 2HB SER 20 -1.090 1.360 4.125
144 2HB SER 20 1HB SER 20 -0.034 2.728 4.460
145 HG SER 20 HG SER 20 -2.554 3.445 3.619
146 H CYS 21 H CYS 21 0.555 0.606 1.625
147 HA CYS 21 HA CYS 21 -1.580 -0.402 -0.033
148 1HB CYS 21 2HB CYS 21 0.506 -0.734 -1.057
149 2HB CYS 21 1HB CYS 21 1.266 -1.315 0.419
150 H SER 22 H SER 22 -3.185 -0.986 1.259
151 HA SER 22 HA SER 22 -2.723 -2.791 3.490
152 1HB SER 22 2HB SER 22 -4.365 -0.950 3.748
153 2HB SER 22 1HB SER 22 -5.297 -1.597 2.399
154 HG SER 22 HG SER 22 -5.703 -3.446 3.624
155 H TYR 23 H TYR 23 -1.861 -4.410 2.154
156 HA TYR 23 HA TYR 23 -2.518 -5.655 -0.038
157 1HB TYR 23 2HB TYR 23 -0.859 -6.472 1.624
158 2HB TYR 23 1HB TYR 23 -2.175 -7.199 2.537
159 HD1 TYR 23 1HD TYR 23 -1.053 -7.153 -1.035
160 HD2 TYR 23 2HD TYR 23 -2.363 -9.478 2.279
161 HE1 TYR 23 1HE TYR 23 -0.864 -9.190 -2.396
162 HE2 TYR 23 2HE TYR 23 -2.175 -11.522 0.925
163 HH TYR 23 HH TYR 23 -0.479 -11.796 -1.771
164 HA PRO 24 HA PRO 24 -3.070 -6.222 -1.409
165 1HB PRO 24 2HB PRO 24 -4.569 -7.169 -3.393
166 2HB PRO 24 1HB PRO 24 -3.858 -8.260 -2.198
167 1HG PRO 24 2HG PRO 24 -6.675 -7.466 -2.561
168 2HG PRO 24 1HG PRO 24 -6.007 -8.888 -1.743
169 1HD PRO 24 2HD PRO 24 -6.859 -6.341 -0.593
170 2HD PRO 24 1HD PRO 24 -6.415 -7.849 0.239
171 H VAL 25 H VAL 25 -4.674 -3.909 -0.422
172 HA VAL 25 HA VAL 25 -5.137 -2.658 -3.049
173 HB VAL 25 HB VAL 25 -7.038 -2.060 -0.815
174 1HG1 VAL 25 1HG1 VAL 25 -6.648 -1.181 -3.524
175 2HG1 VAL 25 2HG1 VAL 25 -7.663 -0.500 -2.253
176 3HG1 VAL 25 3HG1 VAL 25 -8.285 -1.791 -3.281
177 1HG2 VAL 25 1HG2 VAL 25 -7.879 -4.135 -0.974
178 2HG2 VAL 25 2HG2 VAL 25 -7.018 -4.468 -2.476
179 3HG2 VAL 25 3HG2 VAL 25 -8.542 -3.583 -2.512
180 H CYS 26 H CYS 26 -4.512 -0.572 -3.176
181 HA CYS 26 HA CYS 26 -3.040 0.530 -0.952
182 1HB CYS 26 2HB CYS 26 -3.461 1.590 -3.752
183 2HB CYS 26 1HB CYS 26 -2.263 2.130 -2.594
184 H LYS 27 H LYS 27 -3.795 2.110 0.357
185 HA LYS 27 HA LYS 27 -5.876 3.900 -0.580
186 1HB LYS 27 2HB LYS 27 -7.168 2.030 0.304
187 2HB LYS 27 1HB LYS 27 -6.246 2.061 1.796
188 1HG LYS 27 2HG LYS 27 -8.254 3.071 2.360
189 2HG LYS 27 1HG LYS 27 -7.166 4.431 2.099
190 1HD LYS 27 2HD LYS 27 -8.932 3.403 -0.100
191 2HD LYS 27 1HD LYS 27 -9.539 4.542 1.100
192 1HE LYS 27 2HE LYS 27 -7.257 4.954 -0.824
193 2HE LYS 27 1HE LYS 27 -8.817 5.771 -0.826
194 1HZ LYS 27 1HZ LYS 27 -7.521 7.313 0.216
195 2HZ LYS 27 2HZ LYS 27 -6.504 6.166 0.939
196 3HZ LYS 27 3HZ LYS 27 -8.054 6.446 1.567
Start of MODEL 13
1 1H SER 1 1HT SER 1 1.180 14.882 0.705
2 2H SER 1 2HT SER 1 2.506 13.920 1.131
3 3H SER 1 3HT SER 1 1.607 14.701 2.333
4 HA SER 1 HA SER 1 1.266 12.157 1.645
5 1HB SER 1 2HB SER 1 -1.059 13.847 2.521
6 2HB SER 1 1HB SER 1 -0.506 12.295 3.158
7 HG SER 1 HG SER 1 -0.010 14.124 4.524
8 H ALA 2 H ALA 2 1.399 12.970 -0.909
9 HA ALA 2 HA ALA 2 -1.110 13.476 -2.135
10 1HB ALA 2 1HB ALA 2 0.024 13.165 -4.224
11 2HB ALA 2 2HB ALA 2 1.358 12.327 -3.431
12 3HB ALA 2 3HB ALA 2 1.101 14.047 -3.138
13 H ILE 3 H ILE 3 -2.674 12.112 -2.637
14 HA ILE 3 HA ILE 3 -2.443 9.337 -1.987
15 HB ILE 3 HB ILE 3 -4.818 10.628 -3.314
16 1HG1 ILE 3 2HG1 ILE 3 -4.250 10.550 -0.342
17 2HG1 ILE 3 1HG1 ILE 3 -4.044 11.981 -1.346
18 1HG2 ILE 3 1HG2 ILE 3 -6.076 8.922 -2.119
19 2HG2 ILE 3 2HG2 ILE 3 -4.598 8.349 -1.344
20 3HG2 ILE 3 3HG2 ILE 3 -4.805 8.173 -3.088
21 1HD1 ILE 3 1HD1 ILE 3 -6.656 10.528 -1.023
22 2HD1 ILE 3 2HD1 ILE 3 -6.380 12.095 -1.784
23 3HD1 ILE 3 3HD1 ILE 3 -6.161 11.910 -0.045
24 H SER 4 H SER 4 -0.641 9.464 -3.850
25 HA SER 4 HA SER 4 -1.652 9.171 -6.517
26 1HB SER 4 2HB SER 4 1.080 8.611 -5.348
27 2HB SER 4 1HB SER 4 0.688 8.718 -7.056
28 HG SER 4 HG SER 4 0.598 10.833 -6.928
29 H CYS 5 H CYS 5 -2.928 7.379 -4.858
30 HA CYS 5 HA CYS 5 -1.845 4.797 -5.715
31 1HB CYS 5 2HB CYS 5 -3.084 5.670 -3.135
32 2HB CYS 5 1HB CYS 5 -3.311 4.013 -3.670
33 H GLY 6 H GLY 6 -4.845 4.621 -4.166
34 1HA GLY 6 2HA GLY 6 -6.989 4.264 -4.902
35 2HA GLY 6 1HA GLY 6 -6.595 5.269 -6.289
36 H GLU 7 H GLU 7 -5.047 2.247 -5.321
37 HA GLU 7 HA GLU 7 -6.367 0.776 -7.433
38 1HB GLU 7 2HB GLU 7 -4.287 0.134 -8.553
39 2HB GLU 7 1HB GLU 7 -4.529 1.876 -8.631
40 1HG GLU 7 2HG GLU 7 -2.929 2.229 -6.888
41 2HG GLU 7 1HG GLU 7 -2.770 0.497 -6.619
42 H THR 8 H THR 8 -5.456 -1.485 -7.539
43 HA THR 8 HA THR 8 -5.354 -2.544 -4.854
44 HB THR 8 HB THR 8 -5.301 -4.772 -6.147
45 HG1 THR 8 1HG THR 8 -4.636 -3.556 -8.148
46 1HG2 THR 8 1HG2 THR 8 -7.492 -4.748 -5.729
47 2HG2 THR 8 2HG2 THR 8 -7.774 -3.656 -7.085
48 3HG2 THR 8 3HG2 THR 8 -7.394 -3.003 -5.490
49 H CYS 9 H CYS 9 -3.698 -3.886 -4.041
50 HA CYS 9 HA CYS 9 -1.227 -4.118 -5.530
51 1HB CYS 9 2HB CYS 9 -0.903 -1.946 -4.619
52 2HB CYS 9 1HB CYS 9 -1.517 -2.431 -3.046
53 H PHE 10 H PHE 10 -1.284 -6.288 -5.361
54 HA PHE 10 HA PHE 10 -1.786 -7.616 -2.859
55 1HB PHE 10 2HB PHE 10 -1.092 -8.610 -5.622
56 2HB PHE 10 1HB PHE 10 -1.283 -9.679 -4.244
57 HD1 PHE 10 1HD PHE 10 -3.289 -10.765 -4.134
58 HD2 PHE 10 2HD PHE 10 -3.176 -6.840 -5.775
59 HE1 PHE 10 1HE PHE 10 -5.708 -10.876 -4.560
60 HE2 PHE 10 2HE PHE 10 -5.595 -6.943 -6.200
61 HZ PHE 10 HZ PHE 10 -6.865 -8.964 -5.593
62 H LYS 11 H LYS 11 0.268 -6.129 -2.218
63 HA LYS 11 HA LYS 11 2.257 -7.869 -1.352
64 1HB LYS 11 2HB LYS 11 2.743 -7.760 -3.897
65 2HB LYS 11 1HB LYS 11 3.365 -6.151 -3.557
66 1HG LYS 11 2HG LYS 11 5.120 -6.972 -2.266
67 2HG LYS 11 1HG LYS 11 4.345 -8.540 -2.042
68 1HD LYS 11 2HD LYS 11 5.135 -7.601 -4.775
69 2HD LYS 11 1HD LYS 11 6.322 -8.340 -3.701
70 1HE LYS 11 2HE LYS 11 5.385 -10.019 -5.172
71 2HE LYS 11 1HE LYS 11 4.886 -10.332 -3.513
72 1HZ LYS 11 1HZ LYS 11 3.077 -10.612 -5.127
73 2HZ LYS 11 2HZ LYS 11 3.206 -8.980 -5.558
74 3HZ LYS 11 3HZ LYS 11 2.723 -9.407 -3.990
75 H PHE 12 H PHE 12 3.993 -5.235 -2.377
76 HA PHE 12 HA PHE 12 3.059 -3.344 -0.402
77 1HB PHE 12 2HB PHE 12 4.569 -5.006 0.808
78 2HB PHE 12 1HB PHE 12 5.889 -4.373 -0.172
79 HD1 PHE 12 1HD PHE 12 7.255 -3.262 1.342
80 HD2 PHE 12 2HD PHE 12 3.058 -2.554 1.397
81 HE1 PHE 12 1HE PHE 12 7.587 -1.442 2.964
82 HE2 PHE 12 2HE PHE 12 3.383 -0.734 3.018
83 HZ PHE 12 HZ PHE 12 5.649 -0.175 3.806
84 H LYS 13 H LYS 13 2.809 -2.564 -2.758
85 HA LYS 13 HA LYS 13 5.275 -1.585 -3.917
86 1HB LYS 13 2HB LYS 13 3.605 -2.519 -5.422
87 2HB LYS 13 1HB LYS 13 2.419 -1.339 -4.870
88 1HG LYS 13 2HG LYS 13 3.608 0.453 -5.880
89 2HG LYS 13 1HG LYS 13 5.000 -0.577 -6.219
90 1HD LYS 13 2HD LYS 13 3.681 -0.184 -8.237
91 2HD LYS 13 1HD LYS 13 3.655 -1.890 -7.786
92 1HE LYS 13 2HE LYS 13 1.445 -1.220 -8.447
93 2HE LYS 13 1HE LYS 13 1.452 -1.533 -6.716
94 1HZ LYS 13 1HZ LYS 13 1.911 1.216 -7.621
95 2HZ LYS 13 2HZ LYS 13 1.130 0.655 -6.229
96 3HZ LYS 13 3HZ LYS 13 0.334 0.594 -7.734
97 H CYS 14 H CYS 14 2.278 -0.192 -2.666
98 HA CYS 14 HA CYS 14 3.396 2.478 -2.861
99 1HB CYS 14 2HB CYS 14 0.755 1.799 -1.599
100 2HB CYS 14 1HB CYS 14 1.232 3.268 -2.442
101 H TYR 15 H TYR 15 4.045 3.724 -1.174
102 HA TYR 15 HA TYR 15 3.534 2.947 1.555
103 1HB TYR 15 2HB TYR 15 6.129 3.155 1.982
104 2HB TYR 15 1HB TYR 15 5.418 1.617 1.517
105 HD1 TYR 15 1HD TYR 15 6.450 0.420 -0.150
106 HD2 TYR 15 2HD TYR 15 6.911 4.652 -0.099
107 HE1 TYR 15 1HE TYR 15 7.993 0.270 -2.058
108 HE2 TYR 15 2HE TYR 15 8.452 4.512 -2.011
109 HH TYR 15 HH TYR 15 8.896 1.589 -3.799
110 H THR 16 H THR 16 3.061 5.116 -0.329
111 HA THR 16 HA THR 16 4.542 7.395 0.710
112 HB THR 16 HB THR 16 2.141 7.679 -1.068
113 HG1 THR 16 1HG THR 16 3.340 6.987 -2.866
114 1HG2 THR 16 1HG2 THR 16 3.829 9.210 -2.255
115 2HG2 THR 16 2HG2 THR 16 4.842 8.981 -0.830
116 3HG2 THR 16 3HG2 THR 16 3.245 9.714 -0.667
117 HA PRO 17 HA PRO 17 1.584 8.243 3.950
118 1HB PRO 17 2HB PRO 17 1.344 11.007 3.663
119 2HB PRO 17 1HB PRO 17 2.568 10.180 4.629
120 1HG PRO 17 2HG PRO 17 2.771 11.312 1.879
121 2HG PRO 17 1HG PRO 17 3.980 11.282 3.174
122 1HD PRO 17 2HD PRO 17 4.117 9.609 1.079
123 2HD PRO 17 1HD PRO 17 4.606 9.100 2.709
124 H ARG 18 H ARG 18 -0.446 7.640 3.651
125 HA ARG 18 HA ARG 18 -2.628 7.579 3.079
126 1HB ARG 18 2HB ARG 18 -2.639 10.034 3.374
127 2HB ARG 18 1HB ARG 18 -2.134 10.224 1.705
128 1HG ARG 18 2HG ARG 18 -4.603 10.559 2.234
129 2HG ARG 18 1HG ARG 18 -4.204 9.509 0.873
130 1HD ARG 18 2HD ARG 18 -5.917 8.425 2.107
131 2HD ARG 18 1HD ARG 18 -4.420 7.557 2.435
132 HE ARG 18 HE ARG 18 -5.214 9.605 4.346
133 1HH1 ARG 18 1HH1 ARG 18 -4.935 6.199 3.534
134 2HH1 ARG 18 2HH1 ARG 18 -5.303 5.666 5.149
135 1HH2 ARG 18 1HH2 ARG 18 -5.745 8.886 6.469
136 2HH2 ARG 18 2HH2 ARG 18 -5.775 7.187 6.811
137 H CYS 19 H CYS 19 -0.390 6.599 1.563
138 HA CYS 19 HA CYS 19 -1.802 5.692 -0.786
139 1HB CYS 19 2HB CYS 19 -0.564 7.781 -1.496
140 2HB CYS 19 1HB CYS 19 0.932 6.982 -1.040
141 H SER 20 H SER 20 -1.442 4.264 1.349
142 HA SER 20 HA SER 20 1.097 2.820 1.188
143 1HB SER 20 2HB SER 20 -0.641 1.889 3.276
144 2HB SER 20 1HB SER 20 0.917 2.709 3.415
145 HG SER 20 HG SER 20 -1.637 3.940 3.107
146 H CYS 21 H CYS 21 1.266 0.717 0.642
147 HA CYS 21 HA CYS 21 -0.958 -0.503 -0.706
148 1HB CYS 21 2HB CYS 21 1.231 -0.846 -1.653
149 2HB CYS 21 1HB CYS 21 1.854 -1.485 -0.139
150 H SER 22 H SER 22 -2.465 -0.695 0.962
151 HA SER 22 HA SER 22 -1.868 -2.382 3.225
152 1HB SER 22 2HB SER 22 -4.371 -0.901 2.366
153 2HB SER 22 1HB SER 22 -4.173 -1.767 3.882
154 HG SER 22 HG SER 22 -3.180 0.689 3.104
155 H TYR 23 H TYR 23 -1.404 -4.178 1.890
156 HA TYR 23 HA TYR 23 -2.518 -5.499 -0.043
157 1HB TYR 23 2HB TYR 23 -0.756 -6.427 1.387
158 2HB TYR 23 1HB TYR 23 -1.948 -6.793 2.627
159 HD1 TYR 23 1HD TYR 23 -1.545 -7.418 -1.043
160 HD2 TYR 23 2HD TYR 23 -2.538 -9.010 2.773
161 HE1 TYR 23 1HE TYR 23 -1.921 -9.620 -2.066
162 HE2 TYR 23 2HE TYR 23 -2.915 -11.217 1.760
163 HH TYR 23 HH TYR 23 -2.808 -12.434 -0.099
164 HA PRO 24 HA PRO 24 -3.343 -6.067 -1.281
165 1HB PRO 24 2HB PRO 24 -5.227 -6.870 -2.966
166 2HB PRO 24 1HB PRO 24 -4.548 -7.994 -1.781
167 1HG PRO 24 2HG PRO 24 -7.211 -6.698 -1.834
168 2HG PRO 24 1HG PRO 24 -6.717 -8.217 -1.070
169 1HD PRO 24 2HD PRO 24 -6.957 -5.587 0.129
170 2HD PRO 24 1HD PRO 24 -6.574 -7.133 0.919
171 H VAL 25 H VAL 25 -4.562 -3.496 -0.215
172 HA VAL 25 HA VAL 25 -5.083 -2.292 -2.855
173 HB VAL 25 HB VAL 25 -6.747 -1.454 -0.507
174 1HG1 VAL 25 1HG1 VAL 25 -6.518 -0.704 -3.309
175 2HG1 VAL 25 2HG1 VAL 25 -7.163 0.196 -1.937
176 3HG1 VAL 25 3HG1 VAL 25 -8.178 -0.976 -2.778
177 1HG2 VAL 25 1HG2 VAL 25 -7.876 -3.237 -2.625
178 2HG2 VAL 25 2HG2 VAL 25 -8.490 -2.896 -1.007
179 3HG2 VAL 25 3HG2 VAL 25 -7.077 -3.931 -1.214
180 H CYS 26 H CYS 26 -4.278 -0.272 -3.110
181 HA CYS 26 HA CYS 26 -2.584 0.760 -0.991
182 1HB CYS 26 2HB CYS 26 -2.950 1.403 -3.909
183 2HB CYS 26 1HB CYS 26 -1.987 2.413 -2.854
184 H LYS 27 H LYS 27 -3.467 2.099 0.469
185 HA LYS 27 HA LYS 27 -5.090 4.335 -0.418
186 1HB LYS 27 2HB LYS 27 -6.677 2.430 -0.030
187 2HB LYS 27 1HB LYS 27 -6.154 2.391 1.646
188 1HG LYS 27 2HG LYS 27 -8.268 3.552 1.412
189 2HG LYS 27 1HG LYS 27 -7.008 4.652 1.974
190 1HD LYS 27 2HD LYS 27 -6.729 5.454 -0.349
191 2HD LYS 27 1HD LYS 27 -8.061 4.408 -0.845
192 1HE LYS 27 2HE LYS 27 -8.207 6.679 1.133
193 2HE LYS 27 1HE LYS 27 -8.841 6.687 -0.511
194 1HZ LYS 27 1HZ LYS 27 -9.995 5.617 1.878
195 2HZ LYS 27 2HZ LYS 27 -9.968 4.483 0.627
196 3HZ LYS 27 3HZ LYS 27 -10.729 5.977 0.396
Start of MODEL 14
1 1H SER 1 1HT SER 1 4.954 13.439 -4.326
2 2H SER 1 2HT SER 1 4.417 13.440 -2.720
3 3H SER 1 3HT SER 1 4.206 14.814 -3.683
4 HA SER 1 HA SER 1 2.387 14.030 -4.678
5 1HB SER 1 2HB SER 1 3.465 11.215 -4.424
6 2HB SER 1 1HB SER 1 2.259 11.813 -5.568
7 HG SER 1 HG SER 1 4.066 11.825 -6.752
8 H ALA 2 H ALA 2 0.391 13.492 -3.812
9 HA ALA 2 HA ALA 2 0.389 12.857 -0.981
10 1HB ALA 2 1HB ALA 2 -0.979 14.718 -1.888
11 2HB ALA 2 2HB ALA 2 -1.931 13.518 -1.013
12 3HB ALA 2 3HB ALA 2 -1.940 13.534 -2.777
13 H ILE 3 H ILE 3 -2.502 11.807 -1.680
14 HA ILE 3 HA ILE 3 -1.844 9.048 -1.451
15 HB ILE 3 HB ILE 3 -4.598 10.072 -2.089
16 1HG1 ILE 3 2HG1 ILE 3 -3.293 10.039 0.644
17 2HG1 ILE 3 1HG1 ILE 3 -3.632 11.490 -0.291
18 1HG2 ILE 3 1HG2 ILE 3 -3.520 7.736 -0.517
19 2HG2 ILE 3 2HG2 ILE 3 -4.409 7.688 -2.039
20 3HG2 ILE 3 3HG2 ILE 3 -5.223 8.189 -0.557
21 1HD1 ILE 3 1HD1 ILE 3 -5.268 10.358 1.594
22 2HD1 ILE 3 2HD1 ILE 3 -5.977 9.815 0.072
23 3HD1 ILE 3 3HD1 ILE 3 -5.752 11.538 0.375
24 H SER 4 H SER 4 -0.581 9.560 -3.650
25 HA SER 4 HA SER 4 -2.112 9.366 -6.046
26 1HB SER 4 2HB SER 4 0.846 8.973 -5.555
27 2HB SER 4 1HB SER 4 0.075 9.239 -7.112
28 HG SER 4 HG SER 4 -0.704 11.266 -6.173
29 H CYS 5 H CYS 5 -3.112 7.351 -4.718
30 HA CYS 5 HA CYS 5 -1.870 4.954 -5.849
31 1HB CYS 5 2HB CYS 5 -3.343 5.262 -3.224
32 2HB CYS 5 1HB CYS 5 -2.755 3.750 -3.885
33 H GLY 6 H GLY 6 -4.697 4.342 -4.160
34 1HA GLY 6 2HA GLY 6 -6.908 4.061 -4.740
35 2HA GLY 6 1HA GLY 6 -6.621 5.094 -6.130
36 H GLU 7 H GLU 7 -5.048 2.032 -5.295
37 HA GLU 7 HA GLU 7 -6.536 0.570 -7.272
38 1HB GLU 7 2HB GLU 7 -4.615 -0.043 -8.659
39 2HB GLU 7 1HB GLU 7 -4.926 1.685 -8.726
40 1HG GLU 7 2HG GLU 7 -3.068 2.152 -7.313
41 2HG GLU 7 1HG GLU 7 -2.839 0.440 -6.956
42 H THR 8 H THR 8 -5.239 -1.644 -7.593
43 HA THR 8 HA THR 8 -5.123 -2.781 -4.946
44 HB THR 8 HB THR 8 -4.713 -4.929 -6.266
45 HG1 THR 8 1HG THR 8 -4.112 -3.401 -8.184
46 1HG2 THR 8 1HG2 THR 8 -7.204 -4.036 -7.416
47 2HG2 THR 8 2HG2 THR 8 -7.046 -3.470 -5.753
48 3HG2 THR 8 3HG2 THR 8 -6.925 -5.192 -6.113
49 H CYS 9 H CYS 9 -3.355 -4.157 -4.205
50 HA CYS 9 HA CYS 9 -0.804 -3.784 -5.510
51 1HB CYS 9 2HB CYS 9 0.328 -3.040 -3.453
52 2HB CYS 9 1HB CYS 9 -0.851 -1.868 -4.018
53 H PHE 10 H PHE 10 -0.451 -5.835 -5.863
54 HA PHE 10 HA PHE 10 -1.072 -7.942 -4.055
55 1HB PHE 10 2HB PHE 10 0.532 -7.784 -6.600
56 2HB PHE 10 1HB PHE 10 0.447 -9.265 -5.661
57 HD1 PHE 10 1HD PHE 10 -2.063 -6.697 -6.708
58 HD2 PHE 10 2HD PHE 10 -0.941 -10.802 -6.628
59 HE1 PHE 10 1HE PHE 10 -4.173 -7.291 -7.823
60 HE2 PHE 10 2HE PHE 10 -3.049 -11.402 -7.745
61 HZ PHE 10 HZ PHE 10 -4.667 -9.646 -8.344
62 H LYS 11 H LYS 11 1.333 -5.662 -4.198
63 HA LYS 11 HA LYS 11 2.961 -7.079 -2.223
64 1HB LYS 11 2HB LYS 11 4.061 -5.435 -4.526
65 2HB LYS 11 1HB LYS 11 5.015 -6.084 -3.199
66 1HG LYS 11 2HG LYS 11 3.555 -7.644 -5.320
67 2HG LYS 11 1HG LYS 11 5.301 -7.493 -5.109
68 1HD LYS 11 2HD LYS 11 5.306 -8.824 -3.190
69 2HD LYS 11 1HD LYS 11 3.574 -8.611 -2.929
70 1HE LYS 11 2HE LYS 11 3.329 -9.836 -5.196
71 2HE LYS 11 1HE LYS 11 4.988 -10.359 -4.906
72 1HZ LYS 11 1HZ LYS 11 2.670 -10.820 -3.103
73 2HZ LYS 11 2HZ LYS 11 4.263 -11.294 -2.783
74 3HZ LYS 11 3HZ LYS 11 3.422 -11.986 -4.077
75 H PHE 12 H PHE 12 4.034 -5.566 -0.754
76 HA PHE 12 HA PHE 12 2.364 -3.272 -0.254
77 1HB PHE 12 2HB PHE 12 4.701 -4.445 1.258
78 2HB PHE 12 1HB PHE 12 3.823 -3.017 1.787
79 HD1 PHE 12 1HD PHE 12 2.302 -3.364 3.443
80 HD2 PHE 12 2HD PHE 12 2.990 -6.481 0.629
81 HE1 PHE 12 1HE PHE 12 0.700 -4.793 4.642
82 HE2 PHE 12 2HE PHE 12 1.385 -7.915 1.820
83 HZ PHE 12 HZ PHE 12 0.239 -7.072 3.829
84 H LYS 13 H LYS 13 3.281 -2.548 -2.468
85 HA LYS 13 HA LYS 13 5.690 -0.974 -1.996
86 1HB LYS 13 2HB LYS 13 5.763 -2.476 -3.944
87 2HB LYS 13 1HB LYS 13 4.369 -1.651 -4.627
88 1HG LYS 13 2HG LYS 13 5.584 0.255 -5.137
89 2HG LYS 13 1HG LYS 13 6.854 -0.122 -3.972
90 1HD LYS 13 2HD LYS 13 6.322 -1.736 -6.462
91 2HD LYS 13 1HD LYS 13 7.506 -0.430 -6.369
92 1HE LYS 13 2HE LYS 13 7.493 -2.939 -4.691
93 2HE LYS 13 1HE LYS 13 8.560 -2.614 -6.058
94 1HZ LYS 13 1HZ LYS 13 9.893 -1.363 -4.800
95 2HZ LYS 13 2HZ LYS 13 9.125 -2.066 -3.470
96 3HZ LYS 13 3HZ LYS 13 8.615 -0.556 -4.038
97 H CYS 14 H CYS 14 2.440 -0.577 -1.840
98 HA CYS 14 HA CYS 14 2.401 2.113 -2.938
99 1HB CYS 14 2HB CYS 14 0.307 0.358 -1.688
100 2HB CYS 14 1HB CYS 14 0.026 2.083 -1.900
101 H TYR 15 H TYR 15 4.281 2.292 -1.274
102 HA TYR 15 HA TYR 15 3.278 3.115 1.348
103 1HB TYR 15 2HB TYR 15 5.868 3.396 1.710
104 2HB TYR 15 1HB TYR 15 5.136 1.797 1.741
105 HD1 TYR 15 1HD TYR 15 6.142 0.120 0.514
106 HD2 TYR 15 2HD TYR 15 6.700 4.162 -0.711
107 HE1 TYR 15 1HE TYR 15 7.699 -0.626 -1.239
108 HE2 TYR 15 2HE TYR 15 8.247 3.420 -2.472
109 HH TYR 15 HH TYR 15 9.577 1.634 -3.119
110 H THR 16 H THR 16 2.670 4.587 -0.983
111 HA THR 16 HA THR 16 4.268 6.893 -1.323
112 HB THR 16 HB THR 16 1.296 6.869 -1.777
113 HG1 THR 16 1HG THR 16 1.537 5.536 -3.536
114 1HG2 THR 16 1HG2 THR 16 1.942 8.027 -3.860
115 2HG2 THR 16 2HG2 THR 16 3.637 7.894 -3.391
116 3HG2 THR 16 3HG2 THR 16 2.527 8.866 -2.423
117 HA PRO 17 HA PRO 17 3.410 9.232 2.367
118 1HB PRO 17 2HB PRO 17 2.959 11.502 0.478
119 2HB PRO 17 1HB PRO 17 3.970 11.429 1.927
120 1HG PRO 17 2HG PRO 17 5.065 11.306 -0.495
121 2HG PRO 17 1HG PRO 17 5.684 10.313 0.837
122 1HD PRO 17 2HD PRO 17 4.024 9.521 -1.507
123 2HD PRO 17 1HD PRO 17 5.266 8.598 -0.637
124 H ARG 18 H ARG 18 1.570 9.080 3.418
125 HA ARG 18 HA ARG 18 -0.575 9.311 4.082
126 1HB ARG 18 2HB ARG 18 -0.317 11.607 3.075
127 2HB ARG 18 1HB ARG 18 -1.017 10.964 1.603
128 1HG ARG 18 2HG ARG 18 -2.705 12.132 2.851
129 2HG ARG 18 1HG ARG 18 -3.069 10.406 2.866
130 1HD ARG 18 2HD ARG 18 -2.115 10.209 5.097
131 2HD ARG 18 1HD ARG 18 -1.687 11.918 5.080
132 HE ARG 18 HE ARG 18 -4.199 10.807 5.758
133 1HH1 ARG 18 1HH1 ARG 18 -2.773 13.578 4.157
134 2HH1 ARG 18 2HH1 ARG 18 -4.132 14.611 4.451
135 1HH2 ARG 18 1HH2 ARG 18 -5.996 12.172 6.151
136 2HH2 ARG 18 2HH2 ARG 18 -5.968 13.809 5.586
137 H CYS 19 H CYS 19 0.374 7.184 2.363
138 HA CYS 19 HA CYS 19 -2.188 6.063 1.616
139 1HB CYS 19 2HB CYS 19 -1.575 6.992 -0.516
140 2HB CYS 19 1HB CYS 19 0.079 6.414 -0.359
141 H SER 20 H SER 20 -2.210 3.830 1.790
142 HA SER 20 HA SER 20 0.337 2.528 2.421
143 1HB SER 20 2HB SER 20 -1.369 1.303 4.171
144 2HB SER 20 1HB SER 20 -0.226 2.576 4.589
145 HG SER 20 HG SER 20 -2.690 3.394 3.571
146 H CYS 21 H CYS 21 0.554 0.494 1.783
147 HA CYS 21 HA CYS 21 -1.468 -0.508 -0.016
148 1HB CYS 21 2HB CYS 21 0.757 -0.821 -0.819
149 2HB CYS 21 1HB CYS 21 1.292 -1.545 0.693
150 H SER 22 H SER 22 -3.175 -1.019 1.234
151 HA SER 22 HA SER 22 -2.900 -2.833 3.465
152 1HB SER 22 2HB SER 22 -5.363 -1.607 2.192
153 2HB SER 22 1HB SER 22 -5.281 -2.417 3.746
154 HG SER 22 HG SER 22 -4.100 0.043 3.013
155 H TYR 23 H TYR 23 -1.984 -4.440 2.074
156 HA TYR 23 HA TYR 23 -2.604 -5.676 -0.121
157 1HB TYR 23 2HB TYR 23 -1.031 -6.500 1.654
158 2HB TYR 23 1HB TYR 23 -2.405 -7.280 2.428
159 HD1 TYR 23 1HD TYR 23 -1.310 -7.048 -1.139
160 HD2 TYR 23 2HD TYR 23 -2.230 -9.569 2.161
161 HE1 TYR 23 1HE TYR 23 -0.964 -9.022 -2.558
162 HE2 TYR 23 2HE TYR 23 -1.886 -11.552 0.748
163 HH TYR 23 HH TYR 23 -1.986 -12.076 -1.752
164 HA PRO 24 HA PRO 24 -3.146 -6.148 -1.516
165 1HB PRO 24 2HB PRO 24 -4.604 -7.019 -3.561
166 2HB PRO 24 1HB PRO 24 -3.938 -8.155 -2.381
167 1HG PRO 24 2HG PRO 24 -6.737 -7.305 -2.787
168 2HG PRO 24 1HG PRO 24 -6.111 -8.766 -2.007
169 1HD PRO 24 2HD PRO 24 -6.952 -6.253 -0.782
170 2HD PRO 24 1HD PRO 24 -6.544 -7.795 0.002
171 H VAL 25 H VAL 25 -4.732 -3.853 -0.488
172 HA VAL 25 HA VAL 25 -5.180 -2.525 -3.081
173 HB VAL 25 HB VAL 25 -7.052 -1.949 -0.821
174 1HG1 VAL 25 1HG1 VAL 25 -7.715 -0.375 -2.222
175 2HG1 VAL 25 2HG1 VAL 25 -8.300 -1.642 -3.298
176 3HG1 VAL 25 3HG1 VAL 25 -6.670 -1.001 -3.496
177 1HG2 VAL 25 1HG2 VAL 25 -8.464 -3.658 -1.239
178 2HG2 VAL 25 2HG2 VAL 25 -7.008 -4.452 -1.840
179 3HG2 VAL 25 3HG2 VAL 25 -8.110 -3.661 -2.968
180 H CYS 26 H CYS 26 -4.504 -0.471 -3.178
181 HA CYS 26 HA CYS 26 -3.009 0.597 -0.950
182 1HB CYS 26 2HB CYS 26 -3.431 1.817 -3.677
183 2HB CYS 26 1HB CYS 26 -2.118 2.103 -2.555
184 H LYS 27 H LYS 27 -3.822 2.076 0.422
185 HA LYS 27 HA LYS 27 -5.780 4.000 -0.508
186 1HB LYS 27 2HB LYS 27 -7.247 2.210 0.177
187 2HB LYS 27 1HB LYS 27 -6.371 1.999 1.685
188 1HG LYS 27 2HG LYS 27 -7.572 4.658 1.180
189 2HG LYS 27 1HG LYS 27 -8.670 3.322 1.527
190 1HD LYS 27 2HD LYS 27 -7.894 3.062 3.670
191 2HD LYS 27 1HD LYS 27 -6.289 3.682 3.278
192 1HE LYS 27 2HE LYS 27 -8.802 5.340 3.470
193 2HE LYS 27 1HE LYS 27 -7.568 5.212 4.724
194 1HZ LYS 27 1HZ LYS 27 -6.182 5.873 2.448
195 2HZ LYS 27 2HZ LYS 27 -6.580 6.915 3.724
196 3HZ LYS 27 3HZ LYS 27 -7.585 6.821 2.370
Start of MODEL 15
1 1H SER 1 1HT SER 1 -5.067 8.131 0.214
2 2H SER 1 2HT SER 1 -3.570 8.505 0.902
3 3H SER 1 3HT SER 1 -3.658 7.965 -0.700
4 HA SER 1 HA SER 1 -5.310 10.121 -0.672
5 1HB SER 1 2HB SER 1 -2.800 10.693 0.925
6 2HB SER 1 1HB SER 1 -3.964 11.898 0.376
7 HG SER 1 HG SER 1 -4.924 11.497 2.198
8 H ALA 2 H ALA 2 -1.891 9.163 -0.941
9 HA ALA 2 HA ALA 2 -1.222 10.915 -3.037
10 1HB ALA 2 1HB ALA 2 0.569 9.962 -1.862
11 2HB ALA 2 2HB ALA 2 0.627 9.217 -3.460
12 3HB ALA 2 3HB ALA 2 -0.040 8.323 -2.095
13 H ILE 3 H ILE 3 -0.564 10.151 -5.253
14 HA ILE 3 HA ILE 3 -2.758 9.325 -6.719
15 HB ILE 3 HB ILE 3 0.144 9.106 -7.531
16 1HG1 ILE 3 2HG1 ILE 3 -0.455 11.378 -6.831
17 2HG1 ILE 3 1HG1 ILE 3 -0.193 11.309 -8.570
18 1HG2 ILE 3 1HG2 ILE 3 -1.329 7.806 -8.982
19 2HG2 ILE 3 2HG2 ILE 3 -0.678 9.212 -9.827
20 3HG2 ILE 3 3HG2 ILE 3 -2.340 9.229 -9.238
21 1HD1 ILE 3 1HD1 ILE 3 -2.080 12.588 -8.459
22 2HD1 ILE 3 2HD1 ILE 3 -2.707 11.741 -7.045
23 3HD1 ILE 3 3HD1 ILE 3 -2.790 10.983 -8.635
24 H SER 4 H SER 4 0.025 7.397 -5.634
25 HA SER 4 HA SER 4 -0.840 4.986 -6.866
26 1HB SER 4 2HB SER 4 1.095 5.320 -4.575
27 2HB SER 4 1HB SER 4 1.019 4.009 -5.741
28 HG SER 4 HG SER 4 1.476 5.643 -7.367
29 H CYS 5 H CYS 5 -3.011 5.881 -5.521
30 HA CYS 5 HA CYS 5 -3.256 4.020 -3.250
31 1HB CYS 5 2HB CYS 5 -3.918 6.849 -3.468
32 2HB CYS 5 1HB CYS 5 -5.286 5.881 -2.945
33 H GLY 6 H GLY 6 -4.794 5.476 -6.043
34 1HA GLY 6 2HA GLY 6 -7.204 3.920 -5.816
35 2HA GLY 6 1HA GLY 6 -6.754 4.960 -7.159
36 H GLU 7 H GLU 7 -5.138 2.164 -5.718
37 HA GLU 7 HA GLU 7 -5.632 0.556 -8.083
38 1HB GLU 7 2HB GLU 7 -3.259 0.136 -8.509
39 2HB GLU 7 1HB GLU 7 -3.619 1.849 -8.684
40 1HG GLU 7 2HG GLU 7 -2.730 2.260 -6.451
41 2HG GLU 7 1HG GLU 7 -2.362 0.549 -6.280
42 H THR 8 H THR 8 -4.640 -1.626 -7.804
43 HA THR 8 HA THR 8 -4.987 -2.494 -5.043
44 HB THR 8 HB THR 8 -4.882 -4.818 -6.169
45 HG1 THR 8 1HG THR 8 -5.698 -4.449 -8.482
46 1HG2 THR 8 1HG2 THR 8 -7.221 -4.764 -6.705
47 2HG2 THR 8 2HG2 THR 8 -7.171 -3.020 -6.968
48 3HG2 THR 8 3HG2 THR 8 -6.950 -3.674 -5.345
49 H CYS 9 H CYS 9 -3.420 -4.279 -4.307
50 HA CYS 9 HA CYS 9 -0.832 -4.122 -5.561
51 1HB CYS 9 2HB CYS 9 0.305 -3.395 -3.491
52 2HB CYS 9 1HB CYS 9 -0.762 -2.163 -4.152
53 H PHE 10 H PHE 10 -0.543 -6.184 -5.827
54 HA PHE 10 HA PHE 10 -1.331 -8.220 -4.005
55 1HB PHE 10 2HB PHE 10 0.496 -8.215 -6.415
56 2HB PHE 10 1HB PHE 10 0.154 -9.662 -5.484
57 HD1 PHE 10 1HD PHE 10 -1.367 -11.066 -6.446
58 HD2 PHE 10 2HD PHE 10 -1.845 -6.870 -6.969
59 HE1 PHE 10 1HE PHE 10 -3.378 -11.468 -7.805
60 HE2 PHE 10 2HE PHE 10 -3.858 -7.265 -8.326
61 HZ PHE 10 HZ PHE 10 -4.627 -9.566 -8.746
62 H LYS 11 H LYS 11 1.280 -6.106 -4.290
63 HA LYS 11 HA LYS 11 2.730 -7.438 -2.116
64 1HB LYS 11 2HB LYS 11 3.866 -6.164 -4.608
65 2HB LYS 11 1HB LYS 11 4.815 -6.287 -3.137
66 1HG LYS 11 2HG LYS 11 5.466 -8.125 -4.408
67 2HG LYS 11 1HG LYS 11 4.334 -8.792 -3.232
68 1HD LYS 11 2HD LYS 11 2.549 -8.657 -4.953
69 2HD LYS 11 1HD LYS 11 3.759 -8.114 -6.118
70 1HE LYS 11 2HE LYS 11 3.785 -10.748 -4.644
71 2HE LYS 11 1HE LYS 11 3.305 -10.515 -6.324
72 1HZ LYS 11 1HZ LYS 11 6.005 -10.074 -5.170
73 2HZ LYS 11 2HZ LYS 11 5.574 -9.674 -6.755
74 3HZ LYS 11 3HZ LYS 11 5.550 -11.290 -6.256
75 H PHE 12 H PHE 12 4.070 -5.747 -0.893
76 HA PHE 12 HA PHE 12 2.368 -3.472 -0.393
77 1HB PHE 12 2HB PHE 12 4.840 -4.535 0.968
78 2HB PHE 12 1HB PHE 12 4.103 -3.005 1.428
79 HD1 PHE 12 1HD PHE 12 2.833 -6.448 0.672
80 HD2 PHE 12 2HD PHE 12 2.885 -3.139 3.348
81 HE1 PHE 12 1HE PHE 12 1.275 -7.634 2.162
82 HE2 PHE 12 2HE PHE 12 1.328 -4.320 4.843
83 HZ PHE 12 HZ PHE 12 0.521 -6.569 4.251
84 H LYS 13 H LYS 13 2.859 -2.824 -2.620
85 HA LYS 13 HA LYS 13 5.379 -1.486 -3.017
86 1HB LYS 13 2HB LYS 13 4.366 -2.779 -4.845
87 2HB LYS 13 1HB LYS 13 2.968 -1.718 -4.823
88 1HG LYS 13 2HG LYS 13 5.643 -0.508 -5.285
89 2HG LYS 13 1HG LYS 13 4.907 -1.441 -6.586
90 1HD LYS 13 2HD LYS 13 3.615 0.893 -5.168
91 2HD LYS 13 1HD LYS 13 4.406 0.971 -6.744
92 1HE LYS 13 2HE LYS 13 2.781 -0.664 -7.615
93 2HE LYS 13 1HE LYS 13 1.976 -0.676 -6.044
94 1HZ LYS 13 1HZ LYS 13 2.297 1.748 -7.727
95 2HZ LYS 13 2HZ LYS 13 1.391 1.611 -6.309
96 3HZ LYS 13 3HZ LYS 13 0.900 0.788 -7.705
97 H CYS 14 H CYS 14 2.136 -0.614 -2.147
98 HA CYS 14 HA CYS 14 2.638 2.184 -2.717
99 1HB CYS 14 2HB CYS 14 0.250 0.833 -1.453
100 2HB CYS 14 1HB CYS 14 0.350 2.546 -1.844
101 H TYR 15 H TYR 15 3.523 3.523 -1.379
102 HA TYR 15 HA TYR 15 3.039 3.519 1.431
103 1HB TYR 15 2HB TYR 15 5.592 3.428 1.916
104 2HB TYR 15 1HB TYR 15 4.717 1.919 1.704
105 HD1 TYR 15 1HD TYR 15 5.706 0.308 0.395
106 HD2 TYR 15 2HD TYR 15 6.598 4.398 -0.391
107 HE1 TYR 15 1HE TYR 15 7.311 -0.377 -1.338
108 HE2 TYR 15 2HE TYR 15 8.198 3.720 -2.130
109 HH TYR 15 HH TYR 15 8.790 0.291 -2.847
110 H THR 16 H THR 16 2.608 5.201 -0.750
111 HA THR 16 HA THR 16 4.520 7.358 -0.710
112 HB THR 16 HB THR 16 2.156 8.208 -1.969
113 HG1 THR 16 1HG THR 16 2.341 6.005 -3.383
114 1HG2 THR 16 1HG2 THR 16 3.439 7.985 -4.005
115 2HG2 THR 16 2HG2 THR 16 4.543 6.850 -3.227
116 3HG2 THR 16 3HG2 THR 16 4.502 8.536 -2.710
117 HA PRO 17 HA PRO 17 2.831 10.174 2.269
118 1HB PRO 17 2HB PRO 17 1.466 11.802 0.169
119 2HB PRO 17 1HB PRO 17 2.510 12.329 1.495
120 1HG PRO 17 2HG PRO 17 3.441 12.206 -0.995
121 2HG PRO 17 1HG PRO 17 4.452 11.731 0.382
122 1HD PRO 17 2HD PRO 17 3.084 10.030 -1.642
123 2HD PRO 17 1HD PRO 17 4.616 9.760 -0.789
124 H ARG 18 H ARG 18 1.322 9.426 3.518
125 HA ARG 18 HA ARG 18 -0.581 8.576 4.343
126 1HB ARG 18 2HB ARG 18 -1.081 11.121 3.563
127 2HB ARG 18 1HB ARG 18 -2.284 10.255 2.639
128 1HG ARG 18 2HG ARG 18 -2.084 10.698 5.558
129 2HG ARG 18 1HG ARG 18 -3.501 10.692 4.515
130 1HD ARG 18 2HD ARG 18 -1.999 8.203 5.330
131 2HD ARG 18 1HD ARG 18 -3.393 8.831 6.198
132 HE ARG 18 HE ARG 18 -3.392 7.337 3.750
133 1HH1 ARG 18 1HH1 ARG 18 -5.205 9.670 5.639
134 2HH1 ARG 18 2HH1 ARG 18 -6.715 9.292 4.883
135 1HH2 ARG 18 1HH2 ARG 18 -5.365 6.820 2.755
136 2HH2 ARG 18 2HH2 ARG 18 -6.809 7.662 3.245
137 H CYS 19 H CYS 19 0.441 7.030 2.390
138 HA CYS 19 HA CYS 19 -1.967 5.783 1.357
139 1HB CYS 19 2HB CYS 19 -1.078 7.388 -0.427
140 2HB CYS 19 1HB CYS 19 0.324 6.326 -0.537
141 H SER 20 H SER 20 -1.819 3.743 1.934
142 HA SER 20 HA SER 20 0.815 2.455 1.832
143 1HB SER 20 2HB SER 20 -0.274 1.219 3.982
144 2HB SER 20 1HB SER 20 0.841 2.579 4.080
145 HG SER 20 HG SER 20 -1.750 3.364 3.706
146 H CYS 21 H CYS 21 0.889 0.393 1.282
147 HA CYS 21 HA CYS 21 -1.367 -0.579 -0.160
148 1HB CYS 21 2HB CYS 21 0.712 -1.106 -1.142
149 2HB CYS 21 1HB CYS 21 1.377 -1.747 0.356
150 H SER 22 H SER 22 -3.022 -0.965 1.173
151 HA SER 22 HA SER 22 -2.723 -2.690 3.476
152 1HB SER 22 2HB SER 22 -5.287 -1.578 2.324
153 2HB SER 22 1HB SER 22 -4.949 -2.054 3.978
154 HG SER 22 HG SER 22 -3.236 -0.136 3.182
155 H TYR 23 H TYR 23 -1.935 -4.371 2.057
156 HA TYR 23 HA TYR 23 -2.701 -5.642 -0.053
157 1HB TYR 23 2HB TYR 23 -1.090 -6.544 1.588
158 2HB TYR 23 1HB TYR 23 -2.433 -7.124 2.565
159 HD1 TYR 23 1HD TYR 23 -2.662 -9.409 2.452
160 HD2 TYR 23 2HD TYR 23 -1.561 -7.299 -1.073
161 HE1 TYR 23 1HE TYR 23 -2.676 -11.518 1.192
162 HE2 TYR 23 2HE TYR 23 -1.574 -9.402 -2.344
163 HH TYR 23 HH TYR 23 -1.239 -12.019 -1.583
164 HA PRO 24 HA PRO 24 -3.302 -6.134 -1.420
165 1HB PRO 24 2HB PRO 24 -4.870 -6.959 -3.403
166 2HB PRO 24 1HB PRO 24 -4.231 -8.108 -2.221
167 1HG PRO 24 2HG PRO 24 -6.989 -7.112 -2.560
168 2HG PRO 24 1HG PRO 24 -6.420 -8.591 -1.769
169 1HD PRO 24 2HD PRO 24 -7.089 -6.015 -0.569
170 2HD PRO 24 1HD PRO 24 -6.732 -7.560 0.234
171 H VAL 25 H VAL 25 -4.838 -3.765 -0.378
172 HA VAL 25 HA VAL 25 -5.123 -2.403 -2.969
173 HB VAL 25 HB VAL 25 -7.135 -1.785 -0.852
174 1HG1 VAL 25 1HG1 VAL 25 -7.062 -0.148 -2.502
175 2HG1 VAL 25 2HG1 VAL 25 -8.447 -1.149 -2.938
176 3HG1 VAL 25 3HG1 VAL 25 -6.920 -1.333 -3.800
177 1HG2 VAL 25 1HG2 VAL 25 -7.116 -4.305 -1.713
178 2HG2 VAL 25 2HG2 VAL 25 -7.998 -3.573 -3.053
179 3HG2 VAL 25 3HG2 VAL 25 -8.615 -3.425 -1.407
180 H CYS 26 H CYS 26 -4.322 -0.409 -2.977
181 HA CYS 26 HA CYS 26 -2.900 0.567 -0.701
182 1HB CYS 26 2HB CYS 26 -3.412 1.901 -3.366
183 2HB CYS 26 1HB CYS 26 -2.112 2.241 -2.237
184 H LYS 27 H LYS 27 -3.366 2.398 0.573
185 HA LYS 27 HA LYS 27 -5.732 3.976 -0.023
186 1HB LYS 27 2HB LYS 27 -6.302 1.794 1.312
187 2HB LYS 27 1HB LYS 27 -5.645 2.687 2.676
188 1HG LYS 27 2HG LYS 27 -7.431 4.028 2.821
189 2HG LYS 27 1HG LYS 27 -7.595 4.170 1.070
190 1HD LYS 27 2HD LYS 27 -8.342 1.680 2.583
191 2HD LYS 27 1HD LYS 27 -9.483 2.990 2.281
192 1HE LYS 27 2HE LYS 27 -9.806 1.335 0.586
193 2HE LYS 27 1HE LYS 27 -9.027 2.726 -0.161
194 1HZ LYS 27 1HZ LYS 27 -8.199 0.221 -0.491
195 2HZ LYS 27 2HZ LYS 27 -7.238 0.662 0.828
196 3HZ LYS 27 3HZ LYS 27 -7.166 1.560 -0.606
Start of MODEL 16
1 1H SER 1 1HT SER 1 -0.137 16.286 -0.776
2 2H SER 1 2HT SER 1 1.484 16.727 -0.573
3 3H SER 1 3HT SER 1 0.570 16.225 0.761
4 HA SER 1 HA SER 1 2.219 14.632 -0.581
5 1HB SER 1 2HB SER 1 -0.374 13.691 0.653
6 2HB SER 1 1HB SER 1 1.212 12.918 0.727
7 HG SER 1 HG SER 1 0.917 13.959 2.661
8 H ALA 2 H ALA 2 2.200 13.237 -2.310
9 HA ALA 2 HA ALA 2 0.075 13.589 -4.235
10 1HB ALA 2 1HB ALA 2 2.267 11.659 -4.737
11 2HB ALA 2 2HB ALA 2 2.702 13.361 -4.582
12 3HB ALA 2 3HB ALA 2 1.540 12.855 -5.809
13 H ILE 3 H ILE 3 -1.667 12.352 -4.251
14 HA ILE 3 HA ILE 3 -1.648 9.803 -2.902
15 HB ILE 3 HB ILE 3 -3.493 11.328 -2.437
16 1HG1 ILE 3 2HG1 ILE 3 -5.374 9.789 -2.775
17 2HG1 ILE 3 1HG1 ILE 3 -4.441 8.897 -3.970
18 1HG2 ILE 3 1HG2 ILE 3 -5.040 11.089 -4.821
19 2HG2 ILE 3 2HG2 ILE 3 -3.463 11.777 -5.211
20 3HG2 ILE 3 3HG2 ILE 3 -4.481 12.543 -3.992
21 1HD1 ILE 3 1HD1 ILE 3 -2.789 8.850 -1.797
22 2HD1 ILE 3 2HD1 ILE 3 -3.904 7.566 -2.270
23 3HD1 ILE 3 3HD1 ILE 3 -4.391 8.756 -1.063
24 H SER 4 H SER 4 -0.018 9.574 -4.955
25 HA SER 4 HA SER 4 -1.292 8.707 -7.366
26 1HB SER 4 2HB SER 4 1.563 8.351 -6.439
27 2HB SER 4 1HB SER 4 0.960 8.220 -8.083
28 HG SER 4 HG SER 4 1.190 10.288 -8.256
29 H CYS 5 H CYS 5 -2.489 7.261 -5.459
30 HA CYS 5 HA CYS 5 -1.456 4.578 -5.880
31 1HB CYS 5 2HB CYS 5 -2.448 5.762 -3.278
32 2HB CYS 5 1HB CYS 5 -2.039 4.078 -3.533
33 H GLY 6 H GLY 6 -3.926 4.477 -3.726
34 1HA GLY 6 2HA GLY 6 -6.210 4.172 -3.830
35 2HA GLY 6 1HA GLY 6 -6.190 4.974 -5.389
36 H GLU 7 H GLU 7 -4.158 2.892 -6.281
37 HA GLU 7 HA GLU 7 -5.980 1.106 -7.535
38 1HB GLU 7 2HB GLU 7 -3.942 0.119 -8.489
39 2HB GLU 7 1HB GLU 7 -3.924 1.874 -8.607
40 1HG GLU 7 2HG GLU 7 -2.472 1.993 -6.642
41 2HG GLU 7 1HG GLU 7 -2.480 0.235 -6.533
42 H THR 8 H THR 8 -4.711 -1.250 -7.622
43 HA THR 8 HA THR 8 -5.190 -2.392 -4.965
44 HB THR 8 HB THR 8 -5.038 -4.592 -6.368
45 HG1 THR 8 1HG THR 8 -5.444 -4.328 -8.546
46 1HG2 THR 8 1HG2 THR 8 -7.462 -4.206 -7.156
47 2HG2 THR 8 2HG2 THR 8 -7.303 -2.620 -6.401
48 3HG2 THR 8 3HG2 THR 8 -7.121 -4.081 -5.431
49 H CYS 9 H CYS 9 -3.575 -4.130 -4.272
50 HA CYS 9 HA CYS 9 -1.024 -3.933 -5.608
51 1HB CYS 9 2HB CYS 9 0.166 -3.260 -3.525
52 2HB CYS 9 1HB CYS 9 -0.875 -2.008 -4.189
53 H PHE 10 H PHE 10 -0.820 -6.025 -5.947
54 HA PHE 10 HA PHE 10 -1.328 -7.998 -3.899
55 1HB PHE 10 2HB PHE 10 -0.357 -8.133 -6.751
56 2HB PHE 10 1HB PHE 10 -0.347 -9.544 -5.707
57 HD1 PHE 10 1HD PHE 10 -2.812 -6.803 -6.330
58 HD2 PHE 10 2HD PHE 10 -2.036 -10.987 -6.247
59 HE1 PHE 10 1HE PHE 10 -5.164 -7.246 -6.895
60 HE2 PHE 10 2HE PHE 10 -4.389 -11.436 -6.814
61 HZ PHE 10 HZ PHE 10 -5.956 -9.566 -7.138
62 H LYS 11 H LYS 11 0.589 -5.965 -3.430
63 HA LYS 11 HA LYS 11 2.682 -7.366 -2.198
64 1HB LYS 11 2HB LYS 11 3.298 -7.142 -4.817
65 2HB LYS 11 1HB LYS 11 3.805 -5.544 -4.286
66 1HG LYS 11 2HG LYS 11 5.684 -7.057 -4.265
67 2HG LYS 11 1HG LYS 11 5.277 -6.586 -2.612
68 1HD LYS 11 2HD LYS 11 5.722 -8.960 -2.676
69 2HD LYS 11 1HD LYS 11 4.004 -8.699 -2.368
70 1HE LYS 11 2HE LYS 11 3.890 -8.861 -5.013
71 2HE LYS 11 1HE LYS 11 5.365 -9.796 -4.774
72 1HZ LYS 11 1HZ LYS 11 3.883 -10.977 -2.986
73 2HZ LYS 11 2HZ LYS 11 3.795 -11.425 -4.614
74 3HZ LYS 11 3HZ LYS 11 2.617 -10.403 -3.953
75 H PHE 12 H PHE 12 4.143 -5.604 -1.136
76 HA PHE 12 HA PHE 12 2.395 -3.438 -0.356
77 1HB PHE 12 2HB PHE 12 5.106 -4.329 0.614
78 2HB PHE 12 1HB PHE 12 4.318 -2.873 1.211
79 HD1 PHE 12 1HD PHE 12 3.325 -6.430 0.584
80 HD2 PHE 12 2HD PHE 12 3.308 -3.105 3.240
81 HE1 PHE 12 1HE PHE 12 2.089 -7.765 2.240
82 HE2 PHE 12 2HE PHE 12 2.074 -4.434 4.901
83 HZ PHE 12 HZ PHE 12 1.463 -6.768 4.402
84 H LYS 13 H LYS 13 2.616 -2.842 -2.736
85 HA LYS 13 HA LYS 13 4.920 -1.161 -3.249
86 1HB LYS 13 2HB LYS 13 3.804 -2.805 -4.929
87 2HB LYS 13 1HB LYS 13 2.610 -1.537 -5.135
88 1HG LYS 13 2HG LYS 13 5.440 -0.736 -5.436
89 2HG LYS 13 1HG LYS 13 4.781 -1.797 -6.681
90 1HD LYS 13 2HD LYS 13 3.673 0.884 -5.832
91 2HD LYS 13 1HD LYS 13 4.526 0.530 -7.335
92 1HE LYS 13 2HE LYS 13 2.748 -0.875 -8.095
93 2HE LYS 13 1HE LYS 13 1.949 -0.806 -6.526
94 1HZ LYS 13 1HZ LYS 13 2.235 1.392 -8.495
95 2HZ LYS 13 2HZ LYS 13 1.691 1.631 -6.914
96 3HZ LYS 13 3HZ LYS 13 0.801 0.651 -7.975
97 H CYS 14 H CYS 14 3.344 -0.247 -1.170
98 HA CYS 14 HA CYS 14 2.678 2.370 -2.203
99 1HB CYS 14 2HB CYS 14 0.628 0.740 -0.700
100 2HB CYS 14 1HB CYS 14 0.501 2.464 -1.005
101 H TYR 15 H TYR 15 3.846 3.606 -1.011
102 HA TYR 15 HA TYR 15 3.628 3.606 1.856
103 1HB TYR 15 2HB TYR 15 6.274 3.585 1.925
104 2HB TYR 15 1HB TYR 15 5.367 2.078 1.963
105 HD1 TYR 15 1HD TYR 15 7.175 4.377 -0.341
106 HD2 TYR 15 2HD TYR 15 5.727 0.422 0.329
107 HE1 TYR 15 1HE TYR 15 8.381 3.601 -2.338
108 HE2 TYR 15 2HE TYR 15 6.940 -0.358 -1.661
109 HH TYR 15 HH TYR 15 9.009 0.429 -2.992
110 H THR 16 H THR 16 3.096 5.188 -0.512
111 HA THR 16 HA THR 16 4.885 7.449 -0.513
112 HB THR 16 HB THR 16 2.248 7.900 -1.684
113 HG1 THR 16 1HG THR 16 2.013 6.096 -2.815
114 1HG2 THR 16 1HG2 THR 16 5.021 8.330 -2.293
115 2HG2 THR 16 2HG2 THR 16 3.597 9.091 -3.004
116 3HG2 THR 16 3HG2 THR 16 4.219 7.584 -3.677
117 HA PRO 17 HA PRO 17 3.079 9.831 2.780
118 1HB PRO 17 2HB PRO 17 2.638 12.045 0.835
119 2HB PRO 17 1HB PRO 17 3.471 12.068 2.394
120 1HG PRO 17 2HG PRO 17 4.851 12.112 0.116
121 2HG PRO 17 1HG PRO 17 5.426 11.185 1.514
122 1HD PRO 17 2HD PRO 17 4.125 10.223 -0.995
123 2HD PRO 17 1HD PRO 17 5.405 9.468 -0.024
124 H ARG 18 H ARG 18 1.136 9.288 3.457
125 HA ARG 18 HA ARG 18 -1.093 9.092 3.711
126 1HB ARG 18 2HB ARG 18 -1.141 11.508 3.038
127 2HB ARG 18 1HB ARG 18 -1.359 10.994 1.378
128 1HG ARG 18 2HG ARG 18 -3.338 9.787 3.122
129 2HG ARG 18 1HG ARG 18 -3.348 11.544 3.242
130 1HD ARG 18 2HD ARG 18 -3.824 11.815 0.965
131 2HD ARG 18 1HD ARG 18 -3.345 10.164 0.576
132 HE ARG 18 HE ARG 18 -5.911 11.056 1.549
133 1HH1 ARG 18 1HH1 ARG 18 -3.772 8.314 1.126
134 2HH1 ARG 18 2HH1 ARG 18 -5.046 7.126 1.246
135 1HH2 ARG 18 1HH2 ARG 18 -7.590 9.485 1.730
136 2HH2 ARG 18 2HH2 ARG 18 -7.196 7.801 1.605
137 H CYS 19 H CYS 19 0.297 7.171 2.386
138 HA CYS 19 HA CYS 19 -1.779 5.998 0.747
139 1HB CYS 19 2HB CYS 19 -0.543 7.018 -1.006
140 2HB CYS 19 1HB CYS 19 0.998 6.595 -0.270
141 H SER 20 H SER 20 -1.975 3.891 1.247
142 HA SER 20 HA SER 20 0.365 2.458 2.247
143 1HB SER 20 2HB SER 20 -1.636 1.602 3.955
144 2HB SER 20 1HB SER 20 -0.290 2.662 4.360
145 HG SER 20 HG SER 20 -2.476 3.873 3.155
146 H CYS 21 H CYS 21 0.489 0.438 1.693
147 HA CYS 21 HA CYS 21 -1.685 -0.600 0.074
148 1HB CYS 21 2HB CYS 21 0.415 -0.849 -1.012
149 2HB CYS 21 1HB CYS 21 1.172 -1.557 0.410
150 H SER 22 H SER 22 -3.205 -1.249 1.404
151 HA SER 22 HA SER 22 -2.633 -2.977 3.652
152 1HB SER 22 2HB SER 22 -5.258 -1.944 2.536
153 2HB SER 22 1HB SER 22 -5.031 -2.754 4.075
154 HG SER 22 HG SER 22 -4.051 -0.220 3.299
155 H TYR 23 H TYR 23 -1.669 -4.455 2.126
156 HA TYR 23 HA TYR 23 -2.302 -5.787 0.019
157 1HB TYR 23 2HB TYR 23 -0.563 -6.421 1.716
158 2HB TYR 23 1HB TYR 23 -1.805 -7.337 2.559
159 HD1 TYR 23 1HD TYR 23 -1.434 -9.596 2.286
160 HD2 TYR 23 2HD TYR 23 -0.878 -7.016 -1.050
161 HE1 TYR 23 1HE TYR 23 -0.934 -11.544 0.869
162 HE2 TYR 23 2HE TYR 23 -0.383 -8.956 -2.473
163 HH TYR 23 HH TYR 23 -1.004 -12.136 -1.541
164 HA PRO 24 HA PRO 24 -2.918 -6.284 -1.361
165 1HB PRO 24 2HB PRO 24 -4.445 -7.265 -3.309
166 2HB PRO 24 1HB PRO 24 -3.575 -8.346 -2.213
167 1HG PRO 24 2HG PRO 24 -6.467 -7.785 -2.379
168 2HG PRO 24 1HG PRO 24 -5.633 -9.180 -1.677
169 1HD PRO 24 2HD PRO 24 -6.629 -6.778 -0.347
170 2HD PRO 24 1HD PRO 24 -6.009 -8.279 0.378
171 H VAL 25 H VAL 25 -4.717 -4.236 -0.134
172 HA VAL 25 HA VAL 25 -5.617 -2.963 -2.649
173 HB VAL 25 HB VAL 25 -6.941 -2.328 -0.052
174 1HG1 VAL 25 1HG1 VAL 25 -7.125 -1.044 -2.319
175 2HG1 VAL 25 2HG1 VAL 25 -8.545 -1.285 -1.300
176 3HG1 VAL 25 3HG1 VAL 25 -8.280 -2.320 -2.704
177 1HG2 VAL 25 1HG2 VAL 25 -7.022 -4.860 -0.658
178 2HG2 VAL 25 2HG2 VAL 25 -8.173 -4.336 -1.888
179 3HG2 VAL 25 3HG2 VAL 25 -8.503 -4.028 -0.184
180 H CYS 26 H CYS 26 -4.942 -0.964 -2.989
181 HA CYS 26 HA CYS 26 -3.250 0.291 -0.954
182 1HB CYS 26 2HB CYS 26 -2.354 -0.164 -3.262
183 2HB CYS 26 1HB CYS 26 -3.530 0.981 -3.885
184 H LYS 27 H LYS 27 -3.891 2.137 0.057
185 HA LYS 27 HA LYS 27 -5.860 3.874 -1.171
186 1HB LYS 27 2HB LYS 27 -6.334 2.295 1.340
187 2HB LYS 27 1HB LYS 27 -7.098 3.853 1.103
188 1HG LYS 27 2HG LYS 27 -7.378 1.477 -0.719
189 2HG LYS 27 1HG LYS 27 -8.569 2.008 0.470
190 1HD LYS 27 2HD LYS 27 -9.032 3.986 -0.723
191 2HD LYS 27 1HD LYS 27 -7.584 3.819 -1.719
192 1HE LYS 27 2HE LYS 27 -9.962 1.962 -1.782
193 2HE LYS 27 1HE LYS 27 -9.658 3.259 -2.939
194 1HZ LYS 27 1HZ LYS 27 -7.395 1.539 -2.651
195 2HZ LYS 27 2HZ LYS 27 -8.231 1.987 -4.053
196 3HZ LYS 27 3HZ LYS 27 -8.772 0.677 -3.127
Start of MODEL 17
1 1H SER 1 1HT SER 1 -0.120 3.058 -10.998
2 2H SER 1 2HT SER 1 -0.236 3.497 -9.366
3 3H SER 1 3HT SER 1 1.253 3.593 -10.167
4 HA SER 1 HA SER 1 0.189 5.249 -11.708
5 1HB SER 1 2HB SER 1 -1.827 5.261 -9.441
6 2HB SER 1 1HB SER 1 -1.847 6.307 -10.863
7 HG SER 1 HG SER 1 -3.073 4.066 -10.672
8 H ALA 2 H ALA 2 0.022 7.669 -10.827
9 HA ALA 2 HA ALA 2 2.378 8.171 -9.364
10 1HB ALA 2 1HB ALA 2 0.185 9.785 -10.487
11 2HB ALA 2 2HB ALA 2 1.929 10.038 -10.555
12 3HB ALA 2 3HB ALA 2 1.025 10.507 -9.115
13 H ILE 3 H ILE 3 -1.021 8.665 -8.434
14 HA ILE 3 HA ILE 3 -0.285 8.821 -5.652
15 HB ILE 3 HB ILE 3 -3.039 8.840 -6.908
16 1HG1 ILE 3 2HG1 ILE 3 -1.343 11.149 -5.926
17 2HG1 ILE 3 1HG1 ILE 3 -1.641 10.756 -7.615
18 1HG2 ILE 3 1HG2 ILE 3 -2.917 8.135 -4.515
19 2HG2 ILE 3 2HG2 ILE 3 -3.856 9.602 -4.791
20 3HG2 ILE 3 3HG2 ILE 3 -2.221 9.712 -4.141
21 1HD1 ILE 3 1HD1 ILE 3 -4.114 11.052 -7.056
22 2HD1 ILE 3 2HD1 ILE 3 -3.109 12.499 -7.144
23 3HD1 ILE 3 3HD1 ILE 3 -3.551 11.826 -5.574
24 H SER 4 H SER 4 0.344 6.882 -4.904
25 HA SER 4 HA SER 4 -0.636 4.406 -5.818
26 1HB SER 4 2HB SER 4 0.784 4.830 -3.208
27 2HB SER 4 1HB SER 4 0.899 3.478 -4.328
28 HG SER 4 HG SER 4 1.759 5.170 -5.841
29 H CYS 5 H CYS 5 -2.939 5.424 -5.320
30 HA CYS 5 HA CYS 5 -3.896 4.057 -2.923
31 1HB CYS 5 2HB CYS 5 -4.200 6.920 -3.604
32 2HB CYS 5 1HB CYS 5 -5.626 6.108 -2.996
33 H GLY 6 H GLY 6 -4.665 5.575 -6.000
34 1HA GLY 6 2HA GLY 6 -7.204 4.232 -6.241
35 2HA GLY 6 1HA GLY 6 -6.434 5.235 -7.462
36 H GLU 7 H GLU 7 -5.355 2.302 -5.787
37 HA GLU 7 HA GLU 7 -5.673 0.614 -8.063
38 1HB GLU 7 2HB GLU 7 -3.276 0.194 -8.483
39 2HB GLU 7 1HB GLU 7 -3.737 1.846 -8.876
40 1HG GLU 7 2HG GLU 7 -2.892 2.498 -6.610
41 2HG GLU 7 1HG GLU 7 -2.224 0.878 -6.472
42 H THR 8 H THR 8 -4.888 -1.531 -7.677
43 HA THR 8 HA THR 8 -5.061 -2.262 -4.875
44 HB THR 8 HB THR 8 -4.998 -4.627 -5.877
45 HG1 THR 8 1HG THR 8 -5.725 -4.480 -8.189
46 1HG2 THR 8 1HG2 THR 8 -7.092 -3.875 -5.138
47 2HG2 THR 8 2HG2 THR 8 -7.375 -4.331 -6.818
48 3HG2 THR 8 3HG2 THR 8 -7.186 -2.632 -6.386
49 H CYS 9 H CYS 9 -3.526 -4.192 -4.221
50 HA CYS 9 HA CYS 9 -0.944 -4.038 -5.471
51 1HB CYS 9 2HB CYS 9 0.265 -3.375 -3.445
52 2HB CYS 9 1HB CYS 9 -0.821 -2.112 -4.006
53 H PHE 10 H PHE 10 -0.736 -6.121 -5.801
54 HA PHE 10 HA PHE 10 -1.499 -8.156 -3.958
55 1HB PHE 10 2HB PHE 10 0.159 -8.147 -6.481
56 2HB PHE 10 1HB PHE 10 -0.038 -9.597 -5.513
57 HD1 PHE 10 1HD PHE 10 -2.378 -6.913 -6.656
58 HD2 PHE 10 2HD PHE 10 -1.474 -11.069 -6.511
59 HE1 PHE 10 1HE PHE 10 -4.488 -7.410 -7.820
60 HE2 PHE 10 2HE PHE 10 -3.580 -11.572 -7.675
61 HZ PHE 10 HZ PHE 10 -5.091 -9.741 -8.331
62 H LYS 11 H LYS 11 1.181 -6.152 -4.481
63 HA LYS 11 HA LYS 11 2.713 -7.465 -2.348
64 1HB LYS 11 2HB LYS 11 3.825 -5.930 -4.721
65 2HB LYS 11 1HB LYS 11 4.774 -6.622 -3.411
66 1HG LYS 11 2HG LYS 11 3.102 -8.191 -5.366
67 2HG LYS 11 1HG LYS 11 4.852 -7.983 -5.449
68 1HD LYS 11 2HD LYS 11 3.417 -9.220 -3.102
69 2HD LYS 11 1HD LYS 11 4.092 -10.150 -4.439
70 1HE LYS 11 2HE LYS 11 5.666 -8.288 -2.665
71 2HE LYS 11 1HE LYS 11 5.586 -10.039 -2.466
72 1HZ LYS 11 1HZ LYS 11 7.245 -8.530 -4.179
73 2HZ LYS 11 2HZ LYS 11 6.278 -9.560 -5.111
74 3HZ LYS 11 3HZ LYS 11 7.258 -10.198 -3.889
75 H PHE 12 H PHE 12 4.026 -5.797 -1.107
76 HA PHE 12 HA PHE 12 2.335 -3.520 -0.588
77 1HB PHE 12 2HB PHE 12 4.800 -4.611 0.757
78 2HB PHE 12 1HB PHE 12 4.084 -3.075 1.229
79 HD1 PHE 12 1HD PHE 12 2.927 -3.235 3.183
80 HD2 PHE 12 2HD PHE 12 2.711 -6.464 0.419
81 HE1 PHE 12 1HE PHE 12 1.366 -4.408 4.680
82 HE2 PHE 12 2HE PHE 12 1.149 -7.641 1.910
83 HZ PHE 12 HZ PHE 12 0.474 -6.613 4.044
84 H LYS 13 H LYS 13 2.973 -2.951 -2.931
85 HA LYS 13 HA LYS 13 5.419 -1.393 -3.000
86 1HB LYS 13 2HB LYS 13 4.822 -1.053 -5.437
87 2HB LYS 13 1HB LYS 13 5.172 -2.702 -4.950
88 1HG LYS 13 2HG LYS 13 3.325 -2.854 -6.383
89 2HG LYS 13 1HG LYS 13 2.659 -3.027 -4.760
90 1HD LYS 13 2HD LYS 13 1.890 -0.745 -4.779
91 2HD LYS 13 1HD LYS 13 2.701 -0.440 -6.316
92 1HE LYS 13 2HE LYS 13 1.213 -1.902 -7.473
93 2HE LYS 13 1HE LYS 13 0.525 -2.492 -5.961
94 1HZ LYS 13 1HZ LYS 13 -1.051 -0.981 -6.526
95 2HZ LYS 13 2HZ LYS 13 0.018 0.019 -7.386
96 3HZ LYS 13 3HZ LYS 13 -0.012 0.066 -5.691
97 H CYS 14 H CYS 14 3.147 -0.537 -1.379
98 HA CYS 14 HA CYS 14 2.968 2.166 -2.475
99 1HB CYS 14 2HB CYS 14 0.606 0.607 -1.404
100 2HB CYS 14 1HB CYS 14 0.598 2.344 -1.660
101 H TYR 15 H TYR 15 3.767 3.490 -1.064
102 HA TYR 15 HA TYR 15 3.095 3.433 1.712
103 1HB TYR 15 2HB TYR 15 5.647 3.376 2.313
104 2HB TYR 15 1HB TYR 15 4.774 1.865 2.088
105 HD1 TYR 15 1HD TYR 15 6.930 4.294 0.250
106 HD2 TYR 15 2HD TYR 15 5.578 0.268 0.589
107 HE1 TYR 15 1HE TYR 15 8.556 3.609 -1.463
108 HE2 TYR 15 2HE TYR 15 7.208 -0.424 -1.118
109 HH TYR 15 HH TYR 15 8.939 0.207 -2.377
110 H THR 16 H THR 16 2.820 5.085 -0.519
111 HA THR 16 HA THR 16 4.658 7.302 -0.307
112 HB THR 16 HB THR 16 2.361 8.023 -1.786
113 HG1 THR 16 1HG THR 16 2.583 6.023 -3.264
114 1HG2 THR 16 1HG2 THR 16 4.952 6.876 -2.833
115 2HG2 THR 16 2HG2 THR 16 4.757 8.537 -2.270
116 3HG2 THR 16 3HG2 THR 16 3.853 7.969 -3.676
117 HA PRO 17 HA PRO 17 2.566 9.907 2.577
118 1HB PRO 17 2HB PRO 17 1.844 11.825 0.414
119 2HB PRO 17 1HB PRO 17 2.664 12.121 1.951
120 1HG PRO 17 2HG PRO 17 4.033 12.080 -0.331
121 2HG PRO 17 1HG PRO 17 4.712 11.384 1.152
122 1HD PRO 17 2HD PRO 17 3.540 10.012 -1.225
123 2HD PRO 17 1HD PRO 17 4.895 9.520 -0.190
124 H ARG 18 H ARG 18 0.682 9.318 3.393
125 HA ARG 18 HA ARG 18 -1.462 8.894 3.760
126 1HB ARG 18 2HB ARG 18 -1.949 10.702 1.408
127 2HB ARG 18 1HB ARG 18 -3.075 10.266 2.669
128 1HG ARG 18 2HG ARG 18 -1.846 11.474 4.314
129 2HG ARG 18 1HG ARG 18 -0.538 11.778 3.168
130 1HD ARG 18 2HD ARG 18 -1.909 13.758 3.392
131 2HD ARG 18 1HD ARG 18 -2.089 13.083 1.775
132 HE ARG 18 HE ARG 18 -4.300 12.736 2.201
133 1HH1 ARG 18 1HH1 ARG 18 -2.668 13.272 5.254
134 2HH1 ARG 18 2HH1 ARG 18 -4.127 13.254 6.187
135 1HH2 ARG 18 1HH2 ARG 18 -6.231 12.716 3.426
136 2HH2 ARG 18 2HH2 ARG 18 -6.162 12.938 5.143
137 H CYS 19 H CYS 19 0.029 7.162 1.856
138 HA CYS 19 HA CYS 19 -2.256 5.735 0.809
139 1HB CYS 19 2HB CYS 19 -0.010 6.855 -0.848
140 2HB CYS 19 1HB CYS 19 -0.884 5.426 -1.347
141 H SER 20 H SER 20 -1.950 3.848 1.891
142 HA SER 20 HA SER 20 0.763 2.675 1.823
143 1HB SER 20 2HB SER 20 -0.939 1.680 3.957
144 2HB SER 20 1HB SER 20 0.696 2.330 4.041
145 HG SER 20 HG SER 20 -1.677 3.887 3.862
146 H CYS 21 H CYS 21 0.960 0.534 1.270
147 HA CYS 21 HA CYS 21 -1.271 -0.572 -0.125
148 1HB CYS 21 2HB CYS 21 0.830 -1.054 -1.094
149 2HB CYS 21 1HB CYS 21 1.493 -1.676 0.414
150 H SER 22 H SER 22 -2.875 -0.875 1.289
151 HA SER 22 HA SER 22 -2.535 -2.606 3.579
152 1HB SER 22 2HB SER 22 -4.918 -1.085 2.471
153 2HB SER 22 1HB SER 22 -4.915 -2.003 3.967
154 HG SER 22 HG SER 22 -4.093 0.521 3.549
155 H TYR 23 H TYR 23 -1.872 -4.303 2.147
156 HA TYR 23 HA TYR 23 -2.752 -5.536 0.055
157 1HB TYR 23 2HB TYR 23 -1.118 -6.494 1.643
158 2HB TYR 23 1HB TYR 23 -2.448 -7.042 2.657
159 HD1 TYR 23 1HD TYR 23 -2.834 -9.305 2.513
160 HD2 TYR 23 2HD TYR 23 -1.601 -7.225 -0.986
161 HE1 TYR 23 1HE TYR 23 -2.937 -11.404 1.235
162 HE2 TYR 23 2HE TYR 23 -1.703 -9.316 -2.274
163 HH TYR 23 HH TYR 23 -1.521 -11.844 -1.695
164 HA PRO 24 HA PRO 24 -3.396 -6.105 -1.288
165 1HB PRO 24 2HB PRO 24 -5.057 -6.912 -3.205
166 2HB PRO 24 1HB PRO 24 -4.425 -8.056 -2.015
167 1HG PRO 24 2HG PRO 24 -7.152 -6.963 -2.295
168 2HG PRO 24 1HG PRO 24 -6.615 -8.442 -1.485
169 1HD PRO 24 2HD PRO 24 -7.154 -5.818 -0.332
170 2HD PRO 24 1HD PRO 24 -6.824 -7.353 0.500
171 H VAL 25 H VAL 25 -4.791 -3.652 -0.268
172 HA VAL 25 HA VAL 25 -5.187 -2.375 -2.896
173 HB VAL 25 HB VAL 25 -6.893 -1.561 -0.572
174 1HG1 VAL 25 1HG1 VAL 25 -6.476 -0.607 -3.203
175 2HG1 VAL 25 2HG1 VAL 25 -7.555 0.024 -1.959
176 3HG1 VAL 25 3HG1 VAL 25 -8.133 -1.199 -3.090
177 1HG2 VAL 25 1HG2 VAL 25 -8.429 -3.171 -0.859
178 2HG2 VAL 25 2HG2 VAL 25 -7.130 -4.067 -1.646
179 3HG2 VAL 25 3HG2 VAL 25 -8.272 -3.133 -2.615
180 H CYS 26 H CYS 26 -4.342 -0.361 -3.066
181 HA CYS 26 HA CYS 26 -2.571 0.486 -0.976
182 1HB CYS 26 2HB CYS 26 -3.160 1.539 -3.742
183 2HB CYS 26 1HB CYS 26 -1.946 2.210 -2.674
184 H LYS 27 H LYS 27 -3.610 1.405 0.699
185 HA LYS 27 HA LYS 27 -4.830 3.973 0.281
186 1HB LYS 27 2HB LYS 27 -6.684 2.163 0.105
187 2HB LYS 27 1HB LYS 27 -6.437 1.936 1.830
188 1HG LYS 27 2HG LYS 27 -7.131 4.583 0.577
189 2HG LYS 27 1HG LYS 27 -8.324 3.453 1.216
190 1HD LYS 27 2HD LYS 27 -7.403 3.647 3.428
191 2HD LYS 27 1HD LYS 27 -6.054 4.615 2.828
192 1HE LYS 27 2HE LYS 27 -7.758 6.002 3.906
193 2HE LYS 27 1HE LYS 27 -7.587 6.389 2.194
194 1HZ LYS 27 1HZ LYS 27 -9.717 5.949 1.893
195 2HZ LYS 27 2HZ LYS 27 -9.899 5.666 3.550
196 3HZ LYS 27 3HZ LYS 27 -9.533 4.384 2.509
Start of MODEL 18
1 1H SER 1 1HT SER 1 0.825 14.600 -1.543
2 2H SER 1 2HT SER 1 -0.366 13.708 -0.736
3 3H SER 1 3HT SER 1 -0.782 15.135 -1.544
4 HA SER 1 HA SER 1 -0.993 14.127 -3.490
5 1HB SER 1 2HB SER 1 1.511 14.016 -3.575
6 2HB SER 1 1HB SER 1 1.432 12.445 -2.777
7 HG SER 1 HG SER 1 1.561 12.496 -5.176
8 H ALA 2 H ALA 2 -2.009 12.189 -4.292
9 HA ALA 2 HA ALA 2 -2.323 9.967 -2.445
10 1HB ALA 2 1HB ALA 2 -4.944 10.358 -3.068
11 2HB ALA 2 2HB ALA 2 -4.377 12.018 -2.878
12 3HB ALA 2 3HB ALA 2 -4.184 10.864 -1.559
13 H ILE 3 H ILE 3 -1.100 10.212 -4.994
14 HA ILE 3 HA ILE 3 -2.881 9.205 -6.978
15 HB ILE 3 HB ILE 3 -1.045 10.553 -7.726
16 1HG1 ILE 3 2HG1 ILE 3 0.020 9.022 -9.391
17 2HG1 ILE 3 1HG1 ILE 3 -0.700 7.661 -8.538
18 1HG2 ILE 3 1HG2 ILE 3 0.624 10.302 -6.110
19 2HG2 ILE 3 2HG2 ILE 3 1.316 9.612 -7.578
20 3HG2 ILE 3 3HG2 ILE 3 0.686 8.553 -6.317
21 1HD1 ILE 3 1HD1 ILE 3 -2.827 9.370 -9.020
22 2HD1 ILE 3 2HD1 ILE 3 -2.439 7.885 -9.889
23 3HD1 ILE 3 3HD1 ILE 3 -1.858 9.437 -10.492
24 H SER 4 H SER 4 -0.261 7.796 -5.023
25 HA SER 4 HA SER 4 -0.640 5.165 -6.048
26 1HB SER 4 2HB SER 4 0.857 6.084 -3.589
27 2HB SER 4 1HB SER 4 1.064 4.568 -4.452
28 HG SER 4 HG SER 4 1.816 5.731 -6.240
29 H CYS 5 H CYS 5 -3.086 5.830 -5.315
30 HA CYS 5 HA CYS 5 -3.574 4.227 -2.912
31 1HB CYS 5 2HB CYS 5 -4.571 6.950 -3.575
32 2HB CYS 5 1HB CYS 5 -5.658 5.853 -2.756
33 H GLY 6 H GLY 6 -4.912 5.586 -5.880
34 1HA GLY 6 2HA GLY 6 -7.168 3.827 -5.944
35 2HA GLY 6 1HA GLY 6 -6.629 4.873 -7.246
36 H GLU 7 H GLU 7 -4.910 2.253 -5.599
37 HA GLU 7 HA GLU 7 -5.028 0.633 -8.023
38 1HB GLU 7 2HB GLU 7 -2.520 1.633 -6.728
39 2HB GLU 7 1HB GLU 7 -2.533 0.113 -7.605
40 1HG GLU 7 2HG GLU 7 -3.465 1.394 -9.551
41 2HG GLU 7 1HG GLU 7 -3.079 2.851 -8.655
42 H THR 8 H THR 8 -4.450 -1.497 -7.755
43 HA THR 8 HA THR 8 -4.899 -2.515 -5.043
44 HB THR 8 HB THR 8 -5.151 -4.743 -6.323
45 HG1 THR 8 1HG THR 8 -5.922 -4.218 -8.565
46 1HG2 THR 8 1HG2 THR 8 -7.301 -2.875 -7.180
47 2HG2 THR 8 2HG2 THR 8 -6.972 -3.015 -5.453
48 3HG2 THR 8 3HG2 THR 8 -7.417 -4.445 -6.385
49 H CYS 9 H CYS 9 -3.430 -4.012 -4.121
50 HA CYS 9 HA CYS 9 -1.040 -4.668 -5.599
51 1HB CYS 9 2HB CYS 9 0.461 -3.673 -3.896
52 2HB CYS 9 1HB CYS 9 -0.464 -2.469 -4.787
53 H PHE 10 H PHE 10 -1.233 -6.785 -5.293
54 HA PHE 10 HA PHE 10 -1.946 -7.935 -2.761
55 1HB PHE 10 2HB PHE 10 -1.069 -9.122 -5.397
56 2HB PHE 10 1HB PHE 10 -1.430 -10.096 -3.982
57 HD1 PHE 10 1HD PHE 10 -3.491 -11.079 -3.973
58 HD2 PHE 10 2HD PHE 10 -3.045 -7.286 -5.852
59 HE1 PHE 10 1HE PHE 10 -5.870 -11.112 -4.598
60 HE2 PHE 10 2HE PHE 10 -5.424 -7.312 -6.478
61 HZ PHE 10 HZ PHE 10 -6.840 -9.226 -5.850
62 H LYS 11 H LYS 11 0.193 -6.354 -2.322
63 HA LYS 11 HA LYS 11 2.042 -8.015 -1.047
64 1HB LYS 11 2HB LYS 11 2.751 -8.356 -3.480
65 2HB LYS 11 1HB LYS 11 3.259 -6.672 -3.469
66 1HG LYS 11 2HG LYS 11 4.832 -7.148 -1.666
67 2HG LYS 11 1HG LYS 11 4.312 -8.833 -1.650
68 1HD LYS 11 2HD LYS 11 6.368 -8.665 -2.889
69 2HD LYS 11 1HD LYS 11 5.057 -9.032 -4.010
70 1HE LYS 11 2HE LYS 11 4.939 -6.677 -4.650
71 2HE LYS 11 1HE LYS 11 6.231 -6.297 -3.512
72 1HZ LYS 11 1HZ LYS 11 6.426 -7.958 -5.962
73 2HZ LYS 11 2HZ LYS 11 7.653 -7.865 -4.802
74 3HZ LYS 11 3HZ LYS 11 7.192 -6.480 -5.655
75 H PHE 12 H PHE 12 3.701 -5.435 -2.499
76 HA PHE 12 HA PHE 12 2.767 -3.388 -0.683
77 1HB PHE 12 2HB PHE 12 4.441 -4.798 0.599
78 2HB PHE 12 1HB PHE 12 5.657 -4.258 -0.553
79 HD1 PHE 12 1HD PHE 12 7.083 -2.815 0.530
80 HD2 PHE 12 2HD PHE 12 2.892 -2.449 1.176
81 HE1 PHE 12 1HE PHE 12 7.472 -0.806 1.896
82 HE2 PHE 12 2HE PHE 12 3.273 -0.439 2.541
83 HZ PHE 12 HZ PHE 12 5.566 0.386 2.902
84 H LYS 13 H LYS 13 2.276 -2.247 -2.582
85 HA LYS 13 HA LYS 13 4.548 -1.537 -4.295
86 1HB LYS 13 2HB LYS 13 1.590 -1.129 -4.723
87 2HB LYS 13 1HB LYS 13 2.832 -0.548 -5.815
88 1HG LYS 13 2HG LYS 13 3.544 -2.990 -6.024
89 2HG LYS 13 1HG LYS 13 1.994 -3.368 -5.263
90 1HD LYS 13 2HD LYS 13 2.486 -1.942 -7.873
91 2HD LYS 13 1HD LYS 13 1.622 -3.457 -7.609
92 1HE LYS 13 2HE LYS 13 -0.152 -2.281 -6.449
93 2HE LYS 13 1HE LYS 13 0.731 -0.762 -6.581
94 1HZ LYS 13 1HZ LYS 13 0.471 -1.797 -9.150
95 2HZ LYS 13 2HZ LYS 13 -0.266 -0.412 -8.507
96 3HZ LYS 13 3HZ LYS 13 -1.050 -1.914 -8.416
97 H CYS 14 H CYS 14 1.785 -0.012 -2.714
98 HA CYS 14 HA CYS 14 2.974 2.601 -3.007
99 1HB CYS 14 2HB CYS 14 0.413 1.871 -1.587
100 2HB CYS 14 1HB CYS 14 0.877 3.447 -2.219
101 H TYR 15 H TYR 15 3.802 3.839 -1.446
102 HA TYR 15 HA TYR 15 3.553 3.206 1.344
103 1HB TYR 15 2HB TYR 15 6.176 3.261 1.520
104 2HB TYR 15 1HB TYR 15 5.346 1.752 1.170
105 HD1 TYR 15 1HD TYR 15 6.152 0.449 -0.548
106 HD2 TYR 15 2HD TYR 15 6.867 4.648 -0.658
107 HE1 TYR 15 1HE TYR 15 7.529 0.162 -2.566
108 HE2 TYR 15 2HE TYR 15 8.237 4.368 -2.681
109 HH TYR 15 HH TYR 15 8.330 1.426 -4.443
110 H THR 16 H THR 16 2.830 5.245 -0.410
111 HA THR 16 HA THR 16 4.555 7.527 0.146
112 HB THR 16 HB THR 16 1.914 7.603 -1.314
113 HG1 THR 16 1HG THR 16 4.294 7.091 -2.726
114 1HG2 THR 16 1HG2 THR 16 3.133 9.306 -2.677
115 2HG2 THR 16 2HG2 THR 16 4.501 9.141 -1.575
116 3HG2 THR 16 3HG2 THR 16 2.956 9.747 -0.979
117 HA PRO 17 HA PRO 17 2.283 8.810 3.760
118 1HB PRO 17 2HB PRO 17 2.214 11.513 2.497
119 2HB PRO 17 1HB PRO 17 2.733 11.043 4.120
120 1HG PRO 17 2HG PRO 17 4.524 11.639 2.243
121 2HG PRO 17 1HG PRO 17 4.811 10.316 3.390
122 1HD PRO 17 2HD PRO 17 4.024 10.199 0.516
123 2HD PRO 17 1HD PRO 17 5.060 9.101 1.451
124 H ARG 18 H ARG 18 0.239 8.301 4.005
125 HA ARG 18 HA ARG 18 -2.011 8.269 3.931
126 1HB ARG 18 2HB ARG 18 -1.802 10.746 3.819
127 2HB ARG 18 1HB ARG 18 -1.800 10.633 2.071
128 1HG ARG 18 2HG ARG 18 -3.984 11.266 2.714
129 2HG ARG 18 1HG ARG 18 -4.079 9.574 2.239
130 1HD ARG 18 2HD ARG 18 -3.895 10.591 5.077
131 2HD ARG 18 1HD ARG 18 -5.373 10.067 4.280
132 HE ARG 18 HE ARG 18 -3.499 8.420 5.574
133 1HH1 ARG 18 1HH1 ARG 18 -5.506 8.442 2.693
134 2HH1 ARG 18 2HH1 ARG 18 -5.533 6.708 2.559
135 1HH2 ARG 18 1HH2 ARG 18 -3.589 6.124 5.376
136 2HH2 ARG 18 2HH2 ARG 18 -4.467 5.419 4.048
137 H CYS 19 H CYS 19 -0.162 7.037 1.867
138 HA CYS 19 HA CYS 19 -2.236 5.882 0.235
139 1HB CYS 19 2HB CYS 19 -0.126 7.683 -0.814
140 2HB CYS 19 1HB CYS 19 -0.425 6.209 -1.713
141 H SER 20 H SER 20 -1.537 4.250 1.865
142 HA SER 20 HA SER 20 1.030 2.998 1.168
143 1HB SER 20 2HB SER 20 -0.598 2.267 3.564
144 2HB SER 20 1HB SER 20 1.136 2.115 3.317
145 HG SER 20 HG SER 20 0.377 4.685 3.080
146 H CYS 21 H CYS 21 1.215 0.843 0.820
147 HA CYS 21 HA CYS 21 -1.033 -0.338 -0.506
148 1HB CYS 21 2HB CYS 21 1.131 -0.648 -1.504
149 2HB CYS 21 1HB CYS 21 1.776 -1.353 -0.027
150 H SER 22 H SER 22 -2.542 -0.726 1.013
151 HA SER 22 HA SER 22 -1.890 -2.509 3.231
152 1HB SER 22 2HB SER 22 -3.250 -0.632 3.888
153 2HB SER 22 1HB SER 22 -4.344 -0.873 2.529
154 HG SER 22 HG SER 22 -3.988 -2.725 4.654
155 H TYR 23 H TYR 23 -1.400 -4.207 1.818
156 HA TYR 23 HA TYR 23 -2.604 -5.235 -0.285
157 1HB TYR 23 2HB TYR 23 -1.671 -7.328 0.175
158 2HB TYR 23 1HB TYR 23 -0.649 -6.198 1.049
159 HD1 TYR 23 1HD TYR 23 -3.204 -8.818 1.371
160 HD2 TYR 23 2HD TYR 23 -0.537 -6.237 3.456
161 HE1 TYR 23 1HE TYR 23 -3.548 -10.128 3.428
162 HE2 TYR 23 2HE TYR 23 -0.876 -7.537 5.515
163 HH TYR 23 HH TYR 23 -3.361 -9.661 5.960
164 HA PRO 24 HA PRO 24 -3.227 -6.176 -1.439
165 1HB PRO 24 2HB PRO 24 -5.033 -7.110 -3.137
166 2HB PRO 24 1HB PRO 24 -4.333 -8.165 -1.910
167 1HG PRO 24 2HG PRO 24 -7.044 -6.970 -2.042
168 2HG PRO 24 1HG PRO 24 -6.513 -8.471 -1.269
169 1HD PRO 24 2HD PRO 24 -6.899 -5.882 -0.059
170 2HD PRO 24 1HD PRO 24 -6.396 -7.394 0.724
171 H VAL 25 H VAL 25 -4.521 -3.652 -0.420
172 HA VAL 25 HA VAL 25 -4.901 -2.402 -3.039
173 HB VAL 25 HB VAL 25 -6.925 -1.733 -0.933
174 1HG1 VAL 25 1HG1 VAL 25 -8.027 -1.395 -3.441
175 2HG1 VAL 25 2HG1 VAL 25 -6.343 -0.909 -3.637
176 3HG1 VAL 25 3HG1 VAL 25 -7.347 -0.139 -2.407
177 1HG2 VAL 25 1HG2 VAL 25 -8.456 -3.316 -1.548
178 2HG2 VAL 25 2HG2 VAL 25 -6.969 -4.243 -1.750
179 3HG2 VAL 25 3HG2 VAL 25 -7.759 -3.525 -3.155
180 H CYS 26 H CYS 26 -4.185 -0.345 -3.090
181 HA CYS 26 HA CYS 26 -2.738 0.677 -0.847
182 1HB CYS 26 2HB CYS 26 -3.376 1.808 -3.581
183 2HB CYS 26 1HB CYS 26 -2.290 2.557 -2.432
184 H LYS 27 H LYS 27 -3.470 2.134 0.661
185 HA LYS 27 HA LYS 27 -5.699 3.854 0.058
186 1HB LYS 27 2HB LYS 27 -6.986 3.078 2.006
187 2HB LYS 27 1HB LYS 27 -6.861 1.848 0.766
188 1HG LYS 27 2HG LYS 27 -5.062 0.778 2.072
189 2HG LYS 27 1HG LYS 27 -5.291 1.991 3.333
190 1HD LYS 27 2HD LYS 27 -6.494 0.036 3.989
191 2HD LYS 27 1HD LYS 27 -7.678 1.246 3.495
192 1HE LYS 27 2HE LYS 27 -8.339 -0.862 2.576
193 2HE LYS 27 1HE LYS 27 -7.760 0.154 1.257
194 1HZ LYS 27 1HZ LYS 27 -6.975 -2.243 1.310
195 2HZ LYS 27 2HZ LYS 27 -5.991 -1.796 2.611
196 3HZ LYS 27 3HZ LYS 27 -5.783 -1.061 1.098
Start of MODEL 19
1 1H SER 1 1HT SER 1 -4.843 6.558 2.028
2 2H SER 1 2HT SER 1 -5.334 8.158 2.301
3 3H SER 1 3HT SER 1 -3.711 7.823 1.958
4 HA SER 1 HA SER 1 -4.725 6.786 -0.193
5 1HB SER 1 2HB SER 1 -6.686 8.991 0.465
6 2HB SER 1 1HB SER 1 -6.754 7.851 -0.880
7 HG SER 1 HG SER 1 -6.769 6.229 1.010
8 H ALA 2 H ALA 2 -3.537 7.639 -1.776
9 HA ALA 2 HA ALA 2 -3.007 10.511 -1.845
10 1HB ALA 2 1HB ALA 2 -1.056 8.503 -1.118
11 2HB ALA 2 2HB ALA 2 -0.931 10.262 -1.070
12 3HB ALA 2 3HB ALA 2 -0.565 9.391 -2.560
13 H ILE 3 H ILE 3 -1.856 11.067 -3.941
14 HA ILE 3 HA ILE 3 -3.387 10.213 -6.107
15 HB ILE 3 HB ILE 3 -0.671 11.533 -6.205
16 1HG1 ILE 3 2HG1 ILE 3 -3.433 12.773 -6.111
17 2HG1 ILE 3 1HG1 ILE 3 -2.271 12.766 -4.789
18 1HG2 ILE 3 1HG2 ILE 3 -2.800 11.052 -8.237
19 2HG2 ILE 3 2HG2 ILE 3 -1.048 10.931 -8.392
20 3HG2 ILE 3 3HG2 ILE 3 -1.821 12.516 -8.341
21 1HD1 ILE 3 1HD1 ILE 3 -2.561 14.652 -6.867
22 2HD1 ILE 3 2HD1 ILE 3 -1.005 13.854 -7.085
23 3HD1 ILE 3 3HD1 ILE 3 -1.385 14.639 -5.552
24 H SER 4 H SER 4 -0.093 9.298 -5.144
25 HA SER 4 HA SER 4 0.295 7.561 -7.367
26 1HB SER 4 2HB SER 4 1.859 7.765 -4.797
27 2HB SER 4 1HB SER 4 2.398 7.078 -6.320
28 HG SER 4 HG SER 4 2.197 9.163 -7.249
29 H CYS 5 H CYS 5 -2.059 6.779 -6.026
30 HA CYS 5 HA CYS 5 -1.316 4.096 -5.241
31 1HB CYS 5 2HB CYS 5 -3.294 5.843 -3.738
32 2HB CYS 5 1HB CYS 5 -2.943 4.163 -3.414
33 H GLY 6 H GLY 6 -4.484 4.565 -4.591
34 1HA GLY 6 2HA GLY 6 -6.433 3.910 -5.610
35 2HA GLY 6 1HA GLY 6 -5.863 4.899 -6.938
36 H GLU 7 H GLU 7 -4.639 1.803 -5.676
37 HA GLU 7 HA GLU 7 -5.585 0.394 -8.021
38 1HB GLU 7 2HB GLU 7 -3.466 -0.228 -8.889
39 2HB GLU 7 1HB GLU 7 -3.364 1.510 -8.634
40 1HG GLU 7 2HG GLU 7 -2.094 1.227 -6.648
41 2HG GLU 7 1HG GLU 7 -2.390 -0.508 -6.635
42 H THR 8 H THR 8 -4.716 -1.939 -7.930
43 HA THR 8 HA THR 8 -4.990 -2.876 -5.178
44 HB THR 8 HB THR 8 -5.132 -5.149 -6.298
45 HG1 THR 8 1HG THR 8 -4.177 -4.175 -8.324
46 1HG2 THR 8 1HG2 THR 8 -7.137 -4.052 -5.528
47 2HG2 THR 8 2HG2 THR 8 -7.462 -4.769 -7.106
48 3HG2 THR 8 3HG2 THR 8 -7.183 -3.033 -6.966
49 H CYS 9 H CYS 9 -3.396 -4.087 -4.162
50 HA CYS 9 HA CYS 9 -1.007 -4.806 -5.605
51 1HB CYS 9 2HB CYS 9 0.475 -3.553 -4.041
52 2HB CYS 9 1HB CYS 9 -0.500 -2.502 -5.061
53 H PHE 10 H PHE 10 -0.995 -6.853 -5.044
54 HA PHE 10 HA PHE 10 -1.913 -7.908 -2.605
55 1HB PHE 10 2HB PHE 10 -0.244 -9.057 -4.833
56 2HB PHE 10 1HB PHE 10 -0.676 -9.994 -3.412
57 HD1 PHE 10 1HD PHE 10 -2.405 -11.452 -3.752
58 HD2 PHE 10 2HD PHE 10 -2.468 -7.701 -5.761
59 HE1 PHE 10 1HE PHE 10 -4.551 -12.050 -4.797
60 HE2 PHE 10 2HE PHE 10 -4.614 -8.291 -6.806
61 HZ PHE 10 HZ PHE 10 -5.659 -10.468 -6.325
62 H LYS 11 H LYS 11 1.226 -6.821 -3.674
63 HA LYS 11 HA LYS 11 2.498 -7.825 -1.246
64 1HB LYS 11 2HB LYS 11 3.671 -6.448 -3.674
65 2HB LYS 11 1HB LYS 11 4.607 -7.015 -2.299
66 1HG LYS 11 2HG LYS 11 3.801 -9.315 -2.769
67 2HG LYS 11 1HG LYS 11 3.019 -8.698 -4.224
68 1HD LYS 11 2HD LYS 11 5.974 -8.514 -3.635
69 2HD LYS 11 1HD LYS 11 5.227 -9.729 -4.671
70 1HE LYS 11 2HE LYS 11 4.402 -7.934 -6.142
71 2HE LYS 11 1HE LYS 11 5.201 -6.743 -5.116
72 1HZ LYS 11 1HZ LYS 11 6.623 -8.942 -6.518
73 2HZ LYS 11 2HZ LYS 11 7.322 -7.644 -5.688
74 3HZ LYS 11 3HZ LYS 11 6.478 -7.370 -7.129
75 H PHE 12 H PHE 12 4.272 -5.241 -2.067
76 HA PHE 12 HA PHE 12 2.741 -3.292 -0.495
77 1HB PHE 12 2HB PHE 12 5.649 -4.040 -0.095
78 2HB PHE 12 1HB PHE 12 4.915 -2.592 0.579
79 HD1 PHE 12 1HD PHE 12 4.667 -6.300 0.589
80 HD2 PHE 12 2HD PHE 12 3.839 -2.660 2.632
81 HE1 PHE 12 1HE PHE 12 3.966 -7.577 2.571
82 HE2 PHE 12 2HE PHE 12 3.137 -3.931 4.619
83 HZ PHE 12 HZ PHE 12 3.200 -6.393 4.590
84 H LYS 13 H LYS 13 2.274 -2.473 -2.643
85 HA LYS 13 HA LYS 13 4.515 -1.431 -4.140
86 1HB LYS 13 2HB LYS 13 2.544 -2.575 -5.215
87 2HB LYS 13 1HB LYS 13 1.586 -1.166 -4.797
88 1HG LYS 13 2HG LYS 13 4.059 -0.975 -6.496
89 2HG LYS 13 1HG LYS 13 2.467 -1.312 -7.173
90 1HD LYS 13 2HD LYS 13 1.663 0.807 -6.084
91 2HD LYS 13 1HD LYS 13 3.342 1.153 -5.671
92 1HE LYS 13 2HE LYS 13 2.799 2.336 -7.681
93 2HE LYS 13 1HE LYS 13 3.902 1.024 -8.089
94 1HZ LYS 13 1HZ LYS 13 2.384 0.105 -9.412
95 2HZ LYS 13 2HZ LYS 13 1.500 1.536 -9.277
96 3HZ LYS 13 3HZ LYS 13 1.153 0.232 -8.256
97 H CYS 14 H CYS 14 1.585 -0.066 -2.671
98 HA CYS 14 HA CYS 14 2.622 2.601 -3.086
99 1HB CYS 14 2HB CYS 14 0.071 1.669 -1.762
100 2HB CYS 14 1HB CYS 14 0.482 3.345 -2.112
101 H TYR 15 H TYR 15 3.569 3.841 -1.677
102 HA TYR 15 HA TYR 15 3.307 3.473 1.167
103 1HB TYR 15 2HB TYR 15 5.899 3.460 1.373
104 2HB TYR 15 1HB TYR 15 5.071 1.947 1.027
105 HD1 TYR 15 1HD TYR 15 6.577 4.813 -0.870
106 HD2 TYR 15 2HD TYR 15 5.995 0.603 -0.588
107 HE1 TYR 15 1HE TYR 15 7.988 4.490 -2.857
108 HE2 TYR 15 2HE TYR 15 7.411 0.273 -2.573
109 HH TYR 15 HH TYR 15 8.556 1.252 -4.199
110 H THR 16 H THR 16 2.748 5.371 -0.937
111 HA THR 16 HA THR 16 4.499 7.616 -0.726
112 HB THR 16 HB THR 16 1.609 7.718 -1.589
113 HG1 THR 16 1HG THR 16 3.691 6.969 -3.356
114 1HG2 THR 16 1HG2 THR 16 2.953 9.810 -1.549
115 2HG2 THR 16 2HG2 THR 16 2.398 9.375 -3.166
116 3HG2 THR 16 3HG2 THR 16 4.071 9.074 -2.697
117 HA PRO 17 HA PRO 17 3.334 9.364 3.185
118 1HB PRO 17 2HB PRO 17 2.734 11.955 2.137
119 2HB PRO 17 1HB PRO 17 4.204 11.433 2.960
120 1HG PRO 17 2HG PRO 17 3.648 11.685 0.063
121 2HG PRO 17 1HG PRO 17 5.189 11.804 0.931
122 1HD PRO 17 2HD PRO 17 4.596 9.668 -0.575
123 2HD PRO 17 1HD PRO 17 5.496 9.500 0.949
124 H ARG 18 H ARG 18 1.505 9.193 4.228
125 HA ARG 18 HA ARG 18 -0.667 9.224 4.841
126 1HB ARG 18 2HB ARG 18 -0.455 11.599 3.948
127 2HB ARG 18 1HB ARG 18 -1.191 11.002 2.476
128 1HG ARG 18 2HG ARG 18 -3.134 10.239 3.928
129 2HG ARG 18 1HG ARG 18 -2.406 11.202 5.214
130 1HD ARG 18 2HD ARG 18 -4.045 12.560 4.147
131 2HD ARG 18 1HD ARG 18 -2.462 13.161 3.655
132 HE ARG 18 HE ARG 18 -3.386 11.272 1.775
133 1HH1 ARG 18 1HH1 ARG 18 -3.972 14.550 2.846
134 2HH1 ARG 18 2HH1 ARG 18 -4.629 15.067 1.329
135 1HH2 ARG 18 1HH2 ARG 18 -4.246 11.935 -0.221
136 2HH2 ARG 18 2HH2 ARG 18 -4.782 13.573 -0.430
137 H CYS 19 H CYS 19 0.434 7.327 2.799
138 HA CYS 19 HA CYS 19 -2.100 6.130 2.065
139 1HB CYS 19 2HB CYS 19 -1.399 7.622 0.117
140 2HB CYS 19 1HB CYS 19 -0.026 6.541 -0.095
141 H SER 20 H SER 20 -1.908 3.864 1.678
142 HA SER 20 HA SER 20 0.742 2.697 1.854
143 1HB SER 20 2HB SER 20 -0.309 1.188 3.762
144 2HB SER 20 1HB SER 20 0.552 2.680 4.121
145 HG SER 20 HG SER 20 -2.009 3.245 3.591
146 H CYS 21 H CYS 21 0.898 0.617 1.229
147 HA CYS 21 HA CYS 21 -1.279 -0.308 -0.418
148 1HB CYS 21 2HB CYS 21 0.929 -0.586 -1.335
149 2HB CYS 21 1HB CYS 21 1.495 -1.440 0.092
150 H SER 22 H SER 22 -2.901 -0.821 0.911
151 HA SER 22 HA SER 22 -2.499 -2.614 3.160
152 1HB SER 22 2HB SER 22 -4.045 -0.620 3.295
153 2HB SER 22 1HB SER 22 -5.069 -1.393 2.088
154 HG SER 22 HG SER 22 -4.975 -3.237 3.736
155 H TYR 23 H TYR 23 -1.725 -4.279 1.775
156 HA TYR 23 HA TYR 23 -2.669 -5.423 -0.397
157 1HB TYR 23 2HB TYR 23 -1.592 -7.393 0.167
158 2HB TYR 23 1HB TYR 23 -0.806 -6.220 1.211
159 HD1 TYR 23 1HD TYR 23 -0.965 -6.394 3.595
160 HD2 TYR 23 2HD TYR 23 -3.207 -9.012 1.098
161 HE1 TYR 23 1HE TYR 23 -1.453 -7.819 5.537
162 HE2 TYR 23 2HE TYR 23 -3.707 -10.441 3.037
163 HH TYR 23 HH TYR 23 -3.838 -10.061 5.617
164 HA PRO 24 HA PRO 24 -3.180 -6.290 -1.607
165 1HB PRO 24 2HB PRO 24 -4.798 -7.294 -3.451
166 2HB PRO 24 1HB PRO 24 -4.114 -8.333 -2.199
167 1HG PRO 24 2HG PRO 24 -6.886 -7.331 -2.505
168 2HG PRO 24 1HG PRO 24 -6.302 -8.796 -1.698
169 1HD PRO 24 2HD PRO 24 -6.944 -6.231 -0.521
170 2HD PRO 24 1HD PRO 24 -6.436 -7.724 0.298
171 H VAL 25 H VAL 25 -4.543 -3.827 -0.684
172 HA VAL 25 HA VAL 25 -4.979 -2.632 -3.325
173 HB VAL 25 HB VAL 25 -6.974 -1.994 -1.182
174 1HG1 VAL 25 1HG1 VAL 25 -6.628 -0.440 -3.066
175 2HG1 VAL 25 2HG1 VAL 25 -8.270 -1.074 -2.970
176 3HG1 VAL 25 3HG1 VAL 25 -7.146 -1.715 -4.169
177 1HG2 VAL 25 1HG2 VAL 25 -7.677 -4.153 -1.392
178 2HG2 VAL 25 2HG2 VAL 25 -7.031 -4.320 -3.025
179 3HG2 VAL 25 3HG2 VAL 25 -8.535 -3.438 -2.758
180 H CYS 26 H CYS 26 -4.379 -0.523 -3.435
181 HA CYS 26 HA CYS 26 -2.885 0.597 -1.267
182 1HB CYS 26 2HB CYS 26 -3.681 1.628 -3.993
183 2HB CYS 26 1HB CYS 26 -2.663 2.513 -2.876
184 H LYS 27 H LYS 27 -3.593 2.059 0.214
185 HA LYS 27 HA LYS 27 -6.022 3.580 -0.297
186 1HB LYS 27 2HB LYS 27 -6.940 1.563 0.618
187 2HB LYS 27 1HB LYS 27 -5.720 1.501 1.877
188 1HG LYS 27 2HG LYS 27 -6.750 3.665 2.749
189 2HG LYS 27 1HG LYS 27 -8.103 3.308 1.670
190 1HD LYS 27 2HD LYS 27 -8.538 2.442 3.910
191 2HD LYS 27 1HD LYS 27 -8.375 1.121 2.750
192 1HE LYS 27 2HE LYS 27 -5.943 0.987 3.457
193 2HE LYS 27 1HE LYS 27 -6.367 2.067 4.783
194 1HZ LYS 27 1HZ LYS 27 -6.684 -0.716 4.627
195 2HZ LYS 27 2HZ LYS 27 -8.221 -0.015 4.753
196 3HZ LYS 27 3HZ LYS 27 -7.044 0.316 5.921
Start of MODEL 20
1 1H SER 1 1HT SER 1 -3.672 7.777 1.030
2 2H SER 1 2HT SER 1 -4.771 6.481 0.954
3 3H SER 1 3HT SER 1 -5.235 8.028 0.433
4 HA SER 1 HA SER 1 -3.229 6.264 -0.827
5 1HB SER 1 2HB SER 1 -5.827 5.974 -1.078
6 2HB SER 1 1HB SER 1 -5.708 7.404 -2.102
7 HG SER 1 HG SER 1 -5.016 4.825 -2.626
8 H ALA 2 H ALA 2 -1.755 7.247 -2.081
9 HA ALA 2 HA ALA 2 -1.923 10.162 -2.340
10 1HB ALA 2 1HB ALA 2 0.110 8.954 -1.330
11 2HB ALA 2 2HB ALA 2 0.406 10.207 -2.536
12 3HB ALA 2 3HB ALA 2 0.492 8.505 -2.993
13 H ILE 3 H ILE 3 -0.433 10.706 -4.482
14 HA ILE 3 HA ILE 3 -2.146 10.239 -6.648
15 HB ILE 3 HB ILE 3 0.739 11.140 -6.723
16 1HG1 ILE 3 2HG1 ILE 3 -0.612 12.598 -5.302
17 2HG1 ILE 3 1HG1 ILE 3 -0.197 13.424 -6.799
18 1HG2 ILE 3 1HG2 ILE 3 0.282 10.619 -8.921
19 2HG2 ILE 3 2HG2 ILE 3 -0.189 12.318 -8.848
20 3HG2 ILE 3 3HG2 ILE 3 -1.421 11.056 -8.783
21 1HD1 ILE 3 1HD1 ILE 3 -2.352 13.940 -6.932
22 2HD1 ILE 3 2HD1 ILE 3 -2.793 12.765 -5.693
23 3HD1 ILE 3 3HD1 ILE 3 -2.622 12.253 -7.373
24 H SER 4 H SER 4 0.947 8.788 -5.727
25 HA SER 4 HA SER 4 1.018 7.034 -7.990
26 1HB SER 4 2HB SER 4 2.683 6.997 -5.472
27 2HB SER 4 1HB SER 4 3.067 6.265 -7.020
28 HG SER 4 HG SER 4 3.686 8.139 -7.774
29 H CYS 5 H CYS 5 -1.360 6.705 -6.395
30 HA CYS 5 HA CYS 5 -1.045 3.914 -5.669
31 1HB CYS 5 2HB CYS 5 -2.598 5.945 -4.038
32 2HB CYS 5 1HB CYS 5 -2.389 4.246 -3.687
33 H GLY 6 H GLY 6 -3.989 4.976 -4.728
34 1HA GLY 6 2HA GLY 6 -6.117 4.732 -5.528
35 2HA GLY 6 1HA GLY 6 -5.495 5.532 -6.952
36 H GLU 7 H GLU 7 -4.719 2.266 -5.738
37 HA GLU 7 HA GLU 7 -6.394 0.965 -7.630
38 1HB GLU 7 2HB GLU 7 -4.716 0.020 -9.095
39 2HB GLU 7 1HB GLU 7 -4.716 1.771 -9.195
40 1HG GLU 7 2HG GLU 7 -2.574 1.817 -8.731
41 2HG GLU 7 1HG GLU 7 -2.849 0.983 -7.206
42 H THR 8 H THR 8 -4.918 -1.338 -7.997
43 HA THR 8 HA THR 8 -5.322 -2.609 -5.451
44 HB THR 8 HB THR 8 -4.591 -4.677 -6.721
45 HG1 THR 8 1HG THR 8 -3.835 -2.799 -8.509
46 1HG2 THR 8 1HG2 THR 8 -6.992 -3.573 -6.531
47 2HG2 THR 8 2HG2 THR 8 -6.707 -4.994 -7.537
48 3HG2 THR 8 3HG2 THR 8 -6.782 -3.393 -8.273
49 H CYS 9 H CYS 9 -3.708 -3.983 -4.399
50 HA CYS 9 HA CYS 9 -0.945 -3.513 -5.117
51 1HB CYS 9 2HB CYS 9 -1.580 -1.567 -3.678
52 2HB CYS 9 1HB CYS 9 -1.908 -2.703 -2.372
53 H PHE 10 H PHE 10 -0.942 -5.756 -5.449
54 HA PHE 10 HA PHE 10 -1.549 -7.531 -3.262
55 1HB PHE 10 2HB PHE 10 -0.523 -7.967 -6.065
56 2HB PHE 10 1HB PHE 10 -0.719 -9.274 -4.912
57 HD1 PHE 10 1HD PHE 10 -2.593 -10.537 -5.225
58 HD2 PHE 10 2HD PHE 10 -2.773 -6.372 -6.084
59 HE1 PHE 10 1HE PHE 10 -4.947 -10.780 -5.899
60 HE2 PHE 10 2HE PHE 10 -5.127 -6.608 -6.754
61 HZ PHE 10 HZ PHE 10 -6.217 -8.814 -6.663
62 H LYS 11 H LYS 11 0.386 -5.838 -2.393
63 HA LYS 11 HA LYS 11 2.375 -7.532 -1.431
64 1HB LYS 11 2HB LYS 11 3.140 -7.270 -3.878
65 2HB LYS 11 1HB LYS 11 3.550 -5.616 -3.448
66 1HG LYS 11 2HG LYS 11 5.183 -6.331 -1.888
67 2HG LYS 11 1HG LYS 11 4.631 -8.003 -1.974
68 1HD LYS 11 2HD LYS 11 6.673 -7.778 -3.232
69 2HD LYS 11 1HD LYS 11 5.339 -8.071 -4.347
70 1HE LYS 11 2HE LYS 11 5.241 -5.693 -4.872
71 2HE LYS 11 1HE LYS 11 6.539 -5.374 -3.721
72 1HZ LYS 11 1HZ LYS 11 7.734 -5.513 -5.632
73 2HZ LYS 11 2HZ LYS 11 6.668 -6.594 -6.377
74 3HZ LYS 11 3HZ LYS 11 7.756 -7.152 -5.207
75 H PHE 12 H PHE 12 3.884 -4.616 -2.200
76 HA PHE 12 HA PHE 12 2.652 -3.039 -0.122
77 1HB PHE 12 2HB PHE 12 4.928 -2.713 1.017
78 2HB PHE 12 1HB PHE 12 4.069 -4.210 1.343
79 HD1 PHE 12 1HD PHE 12 6.492 -2.971 -1.236
80 HD2 PHE 12 2HD PHE 12 5.392 -6.056 1.481
81 HE1 PHE 12 1HE PHE 12 8.475 -4.263 -1.906
82 HE2 PHE 12 2HE PHE 12 7.373 -7.353 0.815
83 HZ PHE 12 HZ PHE 12 8.918 -6.457 -0.880
84 H LYS 13 H LYS 13 2.786 -2.565 -2.857
85 HA LYS 13 HA LYS 13 4.975 -0.702 -3.214
86 1HB LYS 13 2HB LYS 13 4.031 -0.462 -5.571
87 2HB LYS 13 1HB LYS 13 4.709 -2.017 -5.134
88 1HG LYS 13 2HG LYS 13 2.760 -2.496 -6.344
89 2HG LYS 13 1HG LYS 13 2.338 -2.773 -4.657
90 1HD LYS 13 2HD LYS 13 0.516 -1.618 -5.668
91 2HD LYS 13 1HD LYS 13 1.344 -0.469 -4.620
92 1HE LYS 13 2HE LYS 13 0.907 0.730 -6.582
93 2HE LYS 13 1HE LYS 13 2.602 0.269 -6.718
94 1HZ LYS 13 1HZ LYS 13 1.361 -1.790 -7.911
95 2HZ LYS 13 2HZ LYS 13 1.974 -0.448 -8.729
96 3HZ LYS 13 3HZ LYS 13 0.328 -0.513 -8.329
97 H CYS 14 H CYS 14 3.087 0.112 -1.292
98 HA CYS 14 HA CYS 14 2.327 2.633 -2.550
99 1HB CYS 14 2HB CYS 14 0.450 0.923 -0.920
100 2HB CYS 14 1HB CYS 14 0.158 2.622 -1.282
101 H TYR 15 H TYR 15 4.507 2.566 -1.238
102 HA TYR 15 HA TYR 15 4.045 3.251 1.560
103 1HB TYR 15 2HB TYR 15 6.663 3.496 1.410
104 2HB TYR 15 1HB TYR 15 5.922 1.902 1.484
105 HD1 TYR 15 1HD TYR 15 6.485 0.313 -0.101
106 HD2 TYR 15 2HD TYR 15 7.132 4.425 -0.998
107 HE1 TYR 15 1HE TYR 15 7.622 -0.323 -2.188
108 HE2 TYR 15 2HE TYR 15 8.263 3.797 -3.089
109 HH TYR 15 HH TYR 15 8.938 2.134 -4.392
110 H THR 16 H THR 16 3.252 4.833 -0.836
111 HA THR 16 HA THR 16 4.845 7.206 -0.885
112 HB THR 16 HB THR 16 2.012 7.285 -1.805
113 HG1 THR 16 1HG THR 16 2.200 5.662 -3.186
114 1HG2 THR 16 1HG2 THR 16 3.868 7.825 -3.861
115 2HG2 THR 16 2HG2 THR 16 4.508 8.564 -2.394
116 3HG2 THR 16 3HG2 THR 16 2.890 8.980 -2.955
117 HA PRO 17 HA PRO 17 3.365 9.296 2.749
118 1HB PRO 17 2HB PRO 17 3.050 11.636 0.916
119 2HB PRO 17 1HB PRO 17 3.851 11.541 2.490
120 1HG PRO 17 2HG PRO 17 5.285 11.590 0.253
121 2HG PRO 17 1HG PRO 17 5.755 10.546 1.608
122 1HD PRO 17 2HD PRO 17 4.475 9.826 -0.985
123 2HD PRO 17 1HD PRO 17 5.632 8.907 -0.002
124 H ARG 18 H ARG 18 1.413 9.292 3.636
125 HA ARG 18 HA ARG 18 -0.824 9.352 3.973
126 1HB ARG 18 2HB ARG 18 -0.510 11.679 3.070
127 2HB ARG 18 1HB ARG 18 -0.933 11.062 1.486
128 1HG ARG 18 2HG ARG 18 -2.828 12.165 2.514
129 2HG ARG 18 1HG ARG 18 -3.152 10.442 2.324
130 1HD ARG 18 2HD ARG 18 -3.915 11.194 4.495
131 2HD ARG 18 1HD ARG 18 -2.558 10.087 4.683
132 HE ARG 18 HE ARG 18 -1.423 11.759 5.721
133 1HH1 ARG 18 1HH1 ARG 18 -3.924 13.248 3.767
134 2HH1 ARG 18 2HH1 ARG 18 -3.571 14.853 4.308
135 1HH2 ARG 18 1HH2 ARG 18 -0.958 13.883 6.439
136 2HH2 ARG 18 2HH2 ARG 18 -1.882 15.215 5.830
137 H CYS 19 H CYS 19 0.326 7.219 2.572
138 HA CYS 19 HA CYS 19 -2.018 6.141 1.245
139 1HB CYS 19 2HB CYS 19 -0.692 7.136 -0.598
140 2HB CYS 19 1HB CYS 19 0.698 6.180 -0.101
141 H SER 20 H SER 20 -2.075 3.860 1.316
142 HA SER 20 HA SER 20 0.178 2.508 2.575
143 1HB SER 20 2HB SER 20 -1.804 1.427 4.056
144 2HB SER 20 1HB SER 20 -0.771 2.745 4.593
145 HG SER 20 HG SER 20 -2.808 3.715 3.134
146 H CYS 21 H CYS 21 0.467 0.549 1.970
147 HA CYS 21 HA CYS 21 -1.459 -0.580 0.099
148 1HB CYS 21 2HB CYS 21 0.740 -0.513 -0.811
149 2HB CYS 21 1HB CYS 21 1.450 -1.256 0.614
150 H SER 22 H SER 22 -2.992 -1.387 1.355
151 HA SER 22 HA SER 22 -2.308 -3.317 3.443
152 1HB SER 22 2HB SER 22 -3.982 -1.532 3.958
153 2HB SER 22 1HB SER 22 -4.996 -2.137 2.651
154 HG SER 22 HG SER 22 -4.783 -4.229 3.920
155 H TYR 23 H TYR 23 -1.457 -4.644 1.699
156 HA TYR 23 HA TYR 23 -2.581 -5.566 -0.524
157 1HB TYR 23 2HB TYR 23 -1.206 -7.450 -0.436
158 2HB TYR 23 1HB TYR 23 -0.378 -6.276 0.574
159 HD1 TYR 23 1HD TYR 23 -0.063 -6.671 2.921
160 HD2 TYR 23 2HD TYR 23 -2.349 -9.384 0.569
161 HE1 TYR 23 1HE TYR 23 0.035 -8.321 4.742
162 HE2 TYR 23 2HE TYR 23 -2.263 -11.039 2.388
163 HH TYR 23 HH TYR 23 -1.949 -10.996 4.904
164 HA PRO 24 HA PRO 24 -3.082 -6.535 -1.798
165 1HB PRO 24 2HB PRO 24 -4.846 -7.526 -3.512
166 2HB PRO 24 1HB PRO 24 -3.866 -8.599 -2.511
167 1HG PRO 24 2HG PRO 24 -6.742 -7.903 -2.278
168 2HG PRO 24 1HG PRO 24 -5.902 -9.391 -1.808
169 1HD PRO 24 2HD PRO 24 -6.618 -7.166 -0.141
170 2HD PRO 24 1HD PRO 24 -5.743 -8.639 0.324
171 H VAL 25 H VAL 25 -4.506 -4.394 -0.401
172 HA VAL 25 HA VAL 25 -5.741 -3.096 -2.750
173 HB VAL 25 HB VAL 25 -6.702 -2.575 0.051
174 1HG1 VAL 25 1HG1 VAL 25 -7.104 -1.242 -2.329
175 2HG1 VAL 25 2HG1 VAL 25 -8.064 -1.077 -0.860
176 3HG1 VAL 25 3HG1 VAL 25 -8.575 -2.195 -2.125
177 1HG2 VAL 25 1HG2 VAL 25 -8.643 -4.001 -0.402
178 2HG2 VAL 25 2HG2 VAL 25 -7.142 -4.927 -0.396
179 3HG2 VAL 25 3HG2 VAL 25 -7.911 -4.504 -1.925
180 H CYS 26 H CYS 26 -5.320 -0.928 -2.978
181 HA CYS 26 HA CYS 26 -3.304 0.178 -1.138
182 1HB CYS 26 2HB CYS 26 -2.446 -0.261 -3.405
183 2HB CYS 26 1HB CYS 26 -3.718 0.749 -4.082
184 H LYS 27 H LYS 27 -3.989 1.866 0.028
185 HA LYS 27 HA LYS 27 -5.872 3.759 -1.100
186 1HB LYS 27 2HB LYS 27 -7.283 3.565 0.965
187 2HB LYS 27 1HB LYS 27 -7.381 2.179 -0.107
188 1HG LYS 27 2HG LYS 27 -5.824 0.967 1.332
189 2HG LYS 27 1HG LYS 27 -5.724 2.364 2.403
190 1HD LYS 27 2HD LYS 27 -8.122 2.168 2.868
191 2HD LYS 27 1HD LYS 27 -8.209 0.761 1.804
192 1HE LYS 27 2HE LYS 27 -6.622 -0.421 3.245
193 2HE LYS 27 1HE LYS 27 -6.537 0.985 4.306
194 1HZ LYS 27 1HZ LYS 27 -8.046 -0.486 5.301
195 2HZ LYS 27 2HZ LYS 27 -8.840 -0.813 3.844
196 3HZ LYS 27 3HZ LYS 27 -9.013 0.700 4.578
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 1 1HT SER 1 -6.496 9.519 1.147
2 2H SER 1 2HT SER 1 -7.255 8.284 0.279
3 3H SER 1 3HT SER 1 -6.967 9.781 -0.455
4 HA SER 1 HA SER 1 -4.629 8.474 0.594
5 1HB SER 1 2HB SER 1 -6.169 7.368 -1.768
6 2HB SER 1 1HB SER 1 -4.544 6.872 -1.289
7 HG SER 1 HG SER 1 -5.316 5.832 0.407
8 H ALA 2 H ALA 2 -2.839 8.855 -0.875
9 HA ALA 2 HA ALA 2 -3.046 11.434 -2.118
10 1HB ALA 2 1HB ALA 2 -1.015 10.012 -0.930
11 2HB ALA 2 2HB ALA 2 -0.834 11.516 -1.833
12 3HB ALA 2 3HB ALA 2 -0.587 9.967 -2.640
13 H ILE 3 H ILE 3 -1.344 11.268 -4.255
14 HA ILE 3 HA ILE 3 -3.077 10.429 -6.322
15 HB ILE 3 HB ILE 3 -0.177 11.257 -6.507
16 1HG1 ILE 3 2HG1 ILE 3 -1.541 12.986 -5.441
17 2HG1 ILE 3 1HG1 ILE 3 -1.059 13.490 -7.057
18 1HG2 ILE 3 1HG2 ILE 3 -1.037 11.990 -8.848
19 2HG2 ILE 3 2HG2 ILE 3 -2.301 10.795 -8.559
20 3HG2 ILE 3 3HG2 ILE 3 -0.607 10.303 -8.565
21 1HD1 ILE 3 1HD1 ILE 3 -3.751 12.367 -6.312
22 2HD1 ILE 3 2HD1 ILE 3 -3.264 12.946 -7.905
23 3HD1 ILE 3 3HD1 ILE 3 -3.377 14.073 -6.553
24 H SER 4 H SER 4 -0.176 9.055 -4.879
25 HA SER 4 HA SER 4 0.208 7.033 -6.824
26 1HB SER 4 2HB SER 4 1.231 7.188 -3.991
27 2HB SER 4 1HB SER 4 1.883 6.218 -5.302
28 HG SER 4 HG SER 4 2.217 8.267 -6.421
29 H CYS 5 H CYS 5 -2.474 6.886 -5.985
30 HA CYS 5 HA CYS 5 -2.506 4.212 -4.834
31 1HB CYS 5 2HB CYS 5 -4.163 6.597 -4.034
32 2HB CYS 5 1HB CYS 5 -4.790 4.976 -3.853
33 H GLY 6 H GLY 6 -5.577 5.318 -5.290
34 1HA GLY 6 2HA GLY 6 -7.223 4.836 -6.800
35 2HA GLY 6 1HA GLY 6 -6.093 5.501 -7.960
36 H GLU 7 H GLU 7 -5.467 2.502 -6.201
37 HA GLU 7 HA GLU 7 -6.464 0.789 -8.257
38 1HB GLU 7 2HB GLU 7 -4.319 -0.048 -9.087
39 2HB GLU 7 1HB GLU 7 -4.491 1.666 -9.438
40 1HG GLU 7 2HG GLU 7 -2.883 2.282 -7.912
41 2HG GLU 7 1HG GLU 7 -3.078 0.816 -6.956
42 H THR 8 H THR 8 -5.236 -1.443 -8.006
43 HA THR 8 HA THR 8 -5.635 -2.271 -5.272
44 HB THR 8 HB THR 8 -4.918 -4.532 -6.237
45 HG1 THR 8 1HG THR 8 -4.015 -3.149 -8.177
46 1HG2 THR 8 1HG2 THR 8 -7.170 -4.579 -6.118
47 2HG2 THR 8 2HG2 THR 8 -7.090 -4.375 -7.869
48 3HG2 THR 8 3HG2 THR 8 -7.340 -2.974 -6.829
49 H CYS 9 H CYS 9 -3.844 -3.676 -4.212
50 HA CYS 9 HA CYS 9 -1.202 -3.022 -5.149
51 1HB CYS 9 2HB CYS 9 -1.967 -1.069 -3.746
52 2HB CYS 9 1HB CYS 9 -1.956 -2.168 -2.366
53 H PHE 10 H PHE 10 -0.452 -4.969 -5.222
54 HA PHE 10 HA PHE 10 -0.991 -6.896 -3.144
55 1HB PHE 10 2HB PHE 10 0.386 -7.026 -5.814
56 2HB PHE 10 1HB PHE 10 0.475 -8.354 -4.669
57 HD1 PHE 10 1HD PHE 10 -0.868 -10.089 -5.317
58 HD2 PHE 10 2HD PHE 10 -2.290 -6.108 -5.807
59 HE1 PHE 10 1HE PHE 10 -3.009 -10.960 -6.155
60 HE2 PHE 10 2HE PHE 10 -4.435 -6.973 -6.644
61 HZ PHE 10 HZ PHE 10 -4.797 -9.402 -6.819
62 H LYS 11 H LYS 11 0.338 -7.487 -1.621
63 HA LYS 11 HA LYS 11 2.090 -7.748 -0.253
64 1HB LYS 11 2HB LYS 11 3.322 -8.524 -2.236
65 2HB LYS 11 1HB LYS 11 3.793 -6.868 -2.588
66 1HG LYS 11 2HG LYS 11 5.595 -8.104 -1.510
67 2HG LYS 11 1HG LYS 11 5.048 -6.762 -0.507
68 1HD LYS 11 2HD LYS 11 3.601 -8.413 0.726
69 2HD LYS 11 1HD LYS 11 4.434 -9.691 -0.161
70 1HE LYS 11 2HE LYS 11 5.457 -9.406 2.010
71 2HE LYS 11 1HE LYS 11 6.579 -8.892 0.752
72 1HZ LYS 11 1HZ LYS 11 6.298 -7.415 2.803
73 2HZ LYS 11 2HZ LYS 11 4.830 -6.939 2.112
74 3HZ LYS 11 3HZ LYS 11 6.280 -6.666 1.285
75 H PHE 12 H PHE 12 3.955 -5.256 -1.788
76 HA PHE 12 HA PHE 12 2.969 -3.196 -0.006
77 1HB PHE 12 2HB PHE 12 4.649 -4.557 1.315
78 2HB PHE 12 1HB PHE 12 5.870 -4.027 0.165
79 HD1 PHE 12 1HD PHE 12 3.068 -2.204 1.818
80 HD2 PHE 12 2HD PHE 12 7.271 -2.554 1.247
81 HE1 PHE 12 1HE PHE 12 3.413 -0.157 3.136
82 HE2 PHE 12 2HE PHE 12 7.623 -0.506 2.566
83 HZ PHE 12 HZ PHE 12 5.693 0.694 3.513
84 H LYS 13 H LYS 13 2.527 -2.800 -2.423
85 HA LYS 13 HA LYS 13 4.827 -1.752 -3.825
86 1HB LYS 13 2HB LYS 13 3.064 -2.998 -5.045
87 2HB LYS 13 1HB LYS 13 1.913 -1.739 -4.638
88 1HG LYS 13 2HG LYS 13 4.388 -1.056 -6.169
89 2HG LYS 13 1HG LYS 13 3.012 -1.791 -6.989
90 1HD LYS 13 2HD LYS 13 2.852 0.726 -5.329
91 2HD LYS 13 1HD LYS 13 3.062 0.708 -7.079
92 1HE LYS 13 2HE LYS 13 0.756 -0.647 -5.700
93 2HE LYS 13 1HE LYS 13 0.696 1.037 -6.217
94 1HZ LYS 13 1HZ LYS 13 0.053 -1.133 -7.739
95 2HZ LYS 13 2HZ LYS 13 1.587 -0.701 -8.304
96 3HZ LYS 13 3HZ LYS 13 0.329 0.436 -8.311
97 H CYS 14 H CYS 14 1.968 -0.494 -2.230
98 HA CYS 14 HA CYS 14 2.731 2.241 -2.850
99 1HB CYS 14 2HB CYS 14 0.413 1.106 -1.281
100 2HB CYS 14 1HB CYS 14 0.678 2.825 -1.547
101 H TYR 15 H TYR 15 3.891 3.486 -1.575
102 HA TYR 15 HA TYR 15 3.887 3.138 1.297
103 1HB TYR 15 2HB TYR 15 6.487 3.253 1.241
104 2HB TYR 15 1HB TYR 15 5.697 1.701 0.993
105 HD1 TYR 15 1HD TYR 15 6.871 4.605 -1.074
106 HD2 TYR 15 2HD TYR 15 6.512 0.379 -0.693
107 HE1 TYR 15 1HE TYR 15 8.087 4.317 -3.191
108 HE2 TYR 15 2HE TYR 15 7.731 0.082 -2.807
109 HH TYR 15 HH TYR 15 8.345 1.229 -4.756
110 H THR 16 H THR 16 3.008 5.004 -0.680
111 HA THR 16 HA THR 16 4.674 7.372 -0.366
112 HB THR 16 HB THR 16 1.995 7.121 -1.758
113 HG1 THR 16 1HG THR 16 3.631 6.964 -3.649
114 1HG2 THR 16 1HG2 THR 16 3.110 8.918 -3.223
115 2HG2 THR 16 2HG2 THR 16 4.259 9.091 -1.896
116 3HG2 THR 16 3HG2 THR 16 2.543 9.394 -1.622
117 HA PRO 17 HA PRO 17 2.565 8.925 3.244
118 1HB PRO 17 2HB PRO 17 2.271 11.444 1.656
119 2HB PRO 17 1HB PRO 17 2.848 11.221 3.313
120 1HG PRO 17 2HG PRO 17 4.567 11.658 1.329
121 2HG PRO 17 1HG PRO 17 4.947 10.510 2.626
122 1HD PRO 17 2HD PRO 17 4.150 9.989 -0.193
123 2HD PRO 17 1HD PRO 17 5.212 9.050 0.875
124 H ARG 18 H ARG 18 0.581 8.318 3.680
125 HA ARG 18 HA ARG 18 -1.646 8.036 3.701
126 1HB ARG 18 2HB ARG 18 -1.654 10.517 3.606
127 2HB ARG 18 1HB ARG 18 -1.748 10.419 1.858
128 1HG ARG 18 2HG ARG 18 -3.921 10.878 2.951
129 2HG ARG 18 1HG ARG 18 -3.926 9.415 1.968
130 1HD ARG 18 2HD ARG 18 -3.384 9.295 4.916
131 2HD ARG 18 1HD ARG 18 -5.033 9.360 4.303
132 HE ARG 18 HE ARG 18 -3.739 7.309 2.929
133 1HH1 ARG 18 1HH1 ARG 18 -4.643 8.050 6.233
134 2HH1 ARG 18 2HH1 ARG 18 -4.816 6.391 6.694
135 1HH2 ARG 18 1HH2 ARG 18 -3.965 5.108 3.533
136 2HH2 ARG 18 2HH2 ARG 18 -4.423 4.719 5.162
137 H CYS 19 H CYS 19 -0.077 6.595 1.904
138 HA CYS 19 HA CYS 19 -2.111 5.595 0.131
139 1HB CYS 19 2HB CYS 19 0.215 7.114 -0.820
140 2HB CYS 19 1HB CYS 19 0.085 5.514 -1.535
141 H SER 20 H SER 20 -1.823 4.124 2.003
142 HA SER 20 HA SER 20 0.651 2.618 2.068
143 1HB SER 20 2HB SER 20 -1.320 1.499 3.798
144 2HB SER 20 1HB SER 20 0.133 2.403 4.223
145 HG SER 20 HG SER 20 -2.436 3.464 3.607
146 H CYS 21 H CYS 21 0.988 0.592 1.440
147 HA CYS 21 HA CYS 21 -0.974 -0.611 -0.291
148 1HB CYS 21 2HB CYS 21 1.487 -0.551 -0.804
149 2HB CYS 21 1HB CYS 21 1.742 -1.728 0.471
150 H SER 22 H SER 22 -2.618 -1.134 1.140
151 HA SER 22 HA SER 22 -2.054 -3.066 3.250
152 1HB SER 22 2HB SER 22 -3.570 -1.131 3.713
153 2HB SER 22 1HB SER 22 -4.672 -1.735 2.476
154 HG SER 22 HG SER 22 -4.935 -3.618 3.727
155 H TYR 23 H TYR 23 -1.393 -4.624 1.686
156 HA TYR 23 HA TYR 23 -2.432 -5.690 -0.481
157 1HB TYR 23 2HB TYR 23 -0.538 -6.679 0.670
158 2HB TYR 23 1HB TYR 23 -1.586 -7.272 1.952
159 HD1 TYR 23 1HD TYR 23 -1.816 -9.556 1.903
160 HD2 TYR 23 2HD TYR 23 -1.635 -7.455 -1.790
161 HE1 TYR 23 1HE TYR 23 -2.100 -11.675 0.690
162 HE2 TYR 23 2HE TYR 23 -1.921 -9.567 -3.013
163 HH TYR 23 HH TYR 23 -2.515 -12.607 -1.320
164 HA PRO 24 HA PRO 24 -3.246 -6.189 -1.789
165 1HB PRO 24 2HB PRO 24 -5.111 -6.985 -3.517
166 2HB PRO 24 1HB PRO 24 -4.221 -8.160 -2.542
167 1HG PRO 24 2HG PRO 24 -7.035 -7.307 -2.332
168 2HG PRO 24 1HG PRO 24 -6.263 -8.781 -1.730
169 1HD PRO 24 2HD PRO 24 -6.831 -6.297 -0.306
170 2HD PRO 24 1HD PRO 24 -6.280 -7.856 0.347
171 H VAL 25 H VAL 25 -4.579 -3.929 -0.387
172 HA VAL 25 HA VAL 25 -5.588 -2.550 -2.795
173 HB VAL 25 HB VAL 25 -6.762 -1.981 -0.094
174 1HG1 VAL 25 1HG1 VAL 25 -6.890 -0.430 -2.162
175 2HG1 VAL 25 2HG1 VAL 25 -8.339 -0.717 -1.197
176 3HG1 VAL 25 3HG1 VAL 25 -8.111 -1.573 -2.722
177 1HG2 VAL 25 1HG2 VAL 25 -7.115 -4.413 -1.341
178 2HG2 VAL 25 2HG2 VAL 25 -8.514 -3.477 -1.869
179 3HG2 VAL 25 3HG2 VAL 25 -8.198 -3.694 -0.147
180 H CYS 26 H CYS 26 -4.998 -0.465 -3.018
181 HA CYS 26 HA CYS 26 -2.912 0.507 -1.224
182 1HB CYS 26 2HB CYS 26 -2.576 0.443 -3.705
183 2HB CYS 26 1HB CYS 26 -3.867 1.627 -3.873
184 H LYS 27 H LYS 27 -3.408 1.934 0.348
185 HA LYS 27 HA LYS 27 -5.451 3.952 -0.106
186 1HB LYS 27 2HB LYS 27 -6.415 1.710 0.925
187 2HB LYS 27 1HB LYS 27 -5.713 2.342 2.407
188 1HG LYS 27 2HG LYS 27 -7.993 2.992 2.364
189 2HG LYS 27 1HG LYS 27 -7.032 4.437 2.036
190 1HD LYS 27 2HD LYS 27 -8.961 4.296 0.537
191 2HD LYS 27 1HD LYS 27 -7.444 4.176 -0.359
192 1HE LYS 27 2HE LYS 27 -7.707 1.676 -0.256
193 2HE LYS 27 1HE LYS 27 -9.327 1.946 0.385
194 1HZ LYS 27 1HZ LYS 27 -9.710 3.324 -1.676
195 2HZ LYS 27 2HZ LYS 27 -9.584 1.653 -1.909
196 3HZ LYS 27 3HZ LYS 27 -8.277 2.659 -2.285
Start of MODEL 2
1 1H SER 1 1HT SER 1 1.248 13.616 1.257
2 2H SER 1 2HT SER 1 2.036 13.606 -0.240
3 3H SER 1 3HT SER 1 0.708 12.586 0.026
4 HA SER 1 HA SER 1 -0.424 14.909 0.555
5 1HB SER 1 2HB SER 1 0.519 16.364 -1.417
6 2HB SER 1 1HB SER 1 1.367 16.348 0.131
7 HG SER 1 HG SER 1 2.686 16.006 -1.825
8 H ALA 2 H ALA 2 0.941 13.781 -2.555
9 HA ALA 2 HA ALA 2 -1.666 13.748 -3.762
10 1HB ALA 2 1HB ALA 2 1.089 13.530 -4.652
11 2HB ALA 2 2HB ALA 2 -0.334 14.110 -5.516
12 3HB ALA 2 3HB ALA 2 0.026 12.385 -5.468
13 H ILE 3 H ILE 3 -3.063 12.135 -3.598
14 HA ILE 3 HA ILE 3 -2.250 9.621 -2.468
15 HB ILE 3 HB ILE 3 -5.022 10.331 -3.422
16 1HG1 ILE 3 2HG1 ILE 3 -4.254 12.090 -1.895
17 2HG1 ILE 3 1HG1 ILE 3 -5.488 11.097 -1.127
18 1HG2 ILE 3 1HG2 ILE 3 -4.019 8.396 -1.331
19 2HG2 ILE 3 2HG2 ILE 3 -4.664 7.976 -2.917
20 3HG2 ILE 3 3HG2 ILE 3 -5.714 8.710 -1.705
21 1HD1 ILE 3 1HD1 ILE 3 -2.653 11.465 -0.442
22 2HD1 ILE 3 2HD1 ILE 3 -3.272 9.820 -0.295
23 3HD1 ILE 3 3HD1 ILE 3 -4.044 11.135 0.592
24 H SER 4 H SER 4 -0.881 9.572 -4.610
25 HA SER 4 HA SER 4 -2.214 8.692 -6.970
26 1HB SER 4 2HB SER 4 0.707 8.439 -6.242
27 2HB SER 4 1HB SER 4 -0.003 8.465 -7.850
28 HG SER 4 HG SER 4 0.514 10.518 -7.671
29 H CYS 5 H CYS 5 -3.254 7.064 -5.182
30 HA CYS 5 HA CYS 5 -2.007 4.491 -5.707
31 1HB CYS 5 2HB CYS 5 -3.099 5.503 -3.072
32 2HB CYS 5 1HB CYS 5 -2.588 3.854 -3.375
33 H GLY 6 H GLY 6 -4.487 4.107 -3.604
34 1HA GLY 6 2HA GLY 6 -6.741 3.667 -3.757
35 2HA GLY 6 1HA GLY 6 -6.745 4.478 -5.310
36 H GLU 7 H GLU 7 -4.691 2.678 -6.439
37 HA GLU 7 HA GLU 7 -6.504 0.652 -7.318
38 1HB GLU 7 2HB GLU 7 -4.141 -0.109 -8.424
39 2HB GLU 7 1HB GLU 7 -5.303 0.988 -9.148
40 1HG GLU 7 2HG GLU 7 -3.236 2.017 -9.356
41 2HG GLU 7 1HG GLU 7 -4.039 2.849 -8.043
42 H THR 8 H THR 8 -5.331 -1.566 -7.750
43 HA THR 8 HA THR 8 -5.209 -2.806 -5.175
44 HB THR 8 HB THR 8 -4.752 -4.893 -6.647
45 HG1 THR 8 1HG THR 8 -4.212 -3.400 -8.488
46 1HG2 THR 8 1HG2 THR 8 -7.312 -3.309 -6.893
47 2HG2 THR 8 2HG2 THR 8 -6.909 -4.467 -5.627
48 3HG2 THR 8 3HG2 THR 8 -7.143 -5.020 -7.285
49 H CYS 9 H CYS 9 -3.534 -3.893 -4.226
50 HA CYS 9 HA CYS 9 -0.934 -3.989 -5.463
51 1HB CYS 9 2HB CYS 9 -0.846 -1.765 -4.552
52 2HB CYS 9 1HB CYS 9 -1.508 -2.311 -3.018
53 H PHE 10 H PHE 10 -0.684 -6.095 -5.199
54 HA PHE 10 HA PHE 10 -1.486 -7.445 -2.770
55 1HB PHE 10 2HB PHE 10 -0.342 -8.454 -5.379
56 2HB PHE 10 1HB PHE 10 -0.789 -9.488 -4.038
57 HD1 PHE 10 1HD PHE 10 -2.385 -6.694 -5.955
58 HD2 PHE 10 2HD PHE 10 -2.758 -10.601 -4.311
59 HE1 PHE 10 1HE PHE 10 -4.677 -6.841 -6.835
60 HE2 PHE 10 2HE PHE 10 -5.051 -10.754 -5.187
61 HZ PHE 10 HZ PHE 10 -6.014 -8.873 -6.452
62 H LYS 11 H LYS 11 0.537 -5.769 -2.046
63 HA LYS 11 HA LYS 11 2.442 -7.503 -0.919
64 1HB LYS 11 2HB LYS 11 3.129 -7.254 -3.466
65 2HB LYS 11 1HB LYS 11 3.819 -5.738 -2.903
66 1HG LYS 11 2HG LYS 11 5.200 -6.925 -1.306
67 2HG LYS 11 1HG LYS 11 4.467 -8.458 -1.784
68 1HD LYS 11 2HD LYS 11 5.310 -8.041 -4.103
69 2HD LYS 11 1HD LYS 11 6.185 -6.644 -3.471
70 1HE LYS 11 2HE LYS 11 7.662 -8.561 -3.606
71 2HE LYS 11 1HE LYS 11 7.389 -8.122 -1.919
72 1HZ LYS 11 1HZ LYS 11 6.724 -10.188 -1.557
73 2HZ LYS 11 2HZ LYS 11 6.899 -10.583 -3.193
74 3HZ LYS 11 3HZ LYS 11 5.429 -9.968 -2.625
75 H PHE 12 H PHE 12 4.104 -4.766 -1.877
76 HA PHE 12 HA PHE 12 3.006 -2.936 0.057
77 1HB PHE 12 2HB PHE 12 5.234 -2.657 1.223
78 2HB PHE 12 1HB PHE 12 4.376 -4.144 1.592
79 HD1 PHE 12 1HD PHE 12 7.168 -2.735 -0.395
80 HD2 PHE 12 2HD PHE 12 5.370 -6.229 1.238
81 HE1 PHE 12 1HE PHE 12 9.178 -4.039 -0.975
82 HE2 PHE 12 2HE PHE 12 7.373 -7.538 0.661
83 HZ PHE 12 HZ PHE 12 9.280 -6.442 -0.447
84 H LYS 13 H LYS 13 2.915 -2.602 -2.521
85 HA LYS 13 HA LYS 13 5.247 -1.224 -3.494
86 1HB LYS 13 2HB LYS 13 4.274 -2.400 -5.219
87 2HB LYS 13 1HB LYS 13 2.644 -2.102 -4.644
88 1HG LYS 13 2HG LYS 13 4.173 0.216 -5.689
89 2HG LYS 13 1HG LYS 13 3.602 -0.989 -6.845
90 1HD LYS 13 2HD LYS 13 1.319 -0.715 -6.012
91 2HD LYS 13 1HD LYS 13 1.884 0.464 -4.829
92 1HE LYS 13 2HE LYS 13 2.645 1.906 -6.686
93 2HE LYS 13 1HE LYS 13 1.979 0.742 -7.831
94 1HZ LYS 13 1HZ LYS 13 0.227 1.833 -5.740
95 2HZ LYS 13 2HZ LYS 13 -0.171 1.295 -7.294
96 3HZ LYS 13 3HZ LYS 13 0.587 2.795 -7.081
97 H CYS 14 H CYS 14 2.128 -0.374 -2.193
98 HA CYS 14 HA CYS 14 2.558 2.417 -2.858
99 1HB CYS 14 2HB CYS 14 0.295 0.930 -1.553
100 2HB CYS 14 1HB CYS 14 0.362 2.689 -1.565
101 H TYR 15 H TYR 15 3.835 3.566 -1.673
102 HA TYR 15 HA TYR 15 3.643 3.451 1.228
103 1HB TYR 15 2HB TYR 15 6.220 3.631 1.280
104 2HB TYR 15 1HB TYR 15 5.500 2.050 1.019
105 HD1 TYR 15 1HD TYR 15 6.465 0.730 -0.590
106 HD2 TYR 15 2HD TYR 15 6.670 4.960 -1.044
107 HE1 TYR 15 1HE TYR 15 7.829 0.445 -2.617
108 HE2 TYR 15 2HE TYR 15 8.026 4.681 -3.076
109 HH TYR 15 HH TYR 15 8.474 1.609 -4.581
110 H THR 16 H THR 16 2.858 5.196 -1.000
111 HA THR 16 HA THR 16 4.441 7.563 -1.019
112 HB THR 16 HB THR 16 1.507 7.595 -1.637
113 HG1 THR 16 1HG THR 16 1.707 6.262 -3.334
114 1HG2 THR 16 1HG2 THR 16 3.989 8.752 -2.895
115 2HG2 THR 16 2HG2 THR 16 2.626 9.607 -2.174
116 3HG2 THR 16 3HG2 THR 16 2.424 8.763 -3.709
117 HA PRO 17 HA PRO 17 3.227 9.470 2.842
118 1HB PRO 17 2HB PRO 17 2.629 12.036 1.858
119 2HB PRO 17 1HB PRO 17 4.191 11.490 2.472
120 1HG PRO 17 2HG PRO 17 3.233 11.719 -0.338
121 2HG PRO 17 1HG PRO 17 4.858 11.974 0.323
122 1HD PRO 17 2HD PRO 17 4.246 9.762 -1.058
123 2HD PRO 17 1HD PRO 17 5.339 9.700 0.342
124 H ARG 18 H ARG 18 1.369 8.802 3.601
125 HA ARG 18 HA ARG 18 -0.804 8.724 4.184
126 1HB ARG 18 2HB ARG 18 -1.025 11.127 3.805
127 2HB ARG 18 1HB ARG 18 -1.233 10.854 2.084
128 1HG ARG 18 2HG ARG 18 -3.335 11.342 3.399
129 2HG ARG 18 1HG ARG 18 -3.380 9.893 2.397
130 1HD ARG 18 2HD ARG 18 -2.656 8.640 4.516
131 2HD ARG 18 1HD ARG 18 -3.102 10.108 5.383
132 HE ARG 18 HE ARG 18 -5.307 9.568 5.098
133 1HH1 ARG 18 1HH1 ARG 18 -3.448 7.627 2.829
134 2HH1 ARG 18 2HH1 ARG 18 -4.784 6.582 2.431
135 1HH2 ARG 18 1HH2 ARG 18 -7.065 8.204 4.524
136 2HH2 ARG 18 2HH2 ARG 18 -6.818 6.928 3.374
137 H CYS 19 H CYS 19 0.387 6.924 2.566
138 HA CYS 19 HA CYS 19 -1.886 5.740 1.263
139 1HB CYS 19 2HB CYS 19 -1.040 6.875 -0.655
140 2HB CYS 19 1HB CYS 19 0.622 6.448 -0.261
141 H SER 20 H SER 20 -1.869 3.595 1.563
142 HA SER 20 HA SER 20 0.681 2.307 2.205
143 1HB SER 20 2HB SER 20 -1.249 1.133 3.894
144 2HB SER 20 1HB SER 20 0.160 2.083 4.351
145 HG SER 20 HG SER 20 -1.959 3.593 3.481
146 H CYS 21 H CYS 21 0.931 0.379 1.353
147 HA CYS 21 HA CYS 21 -1.139 -0.628 -0.376
148 1HB CYS 21 2HB CYS 21 1.082 -0.807 -1.236
149 2HB CYS 21 1HB CYS 21 1.669 -1.609 0.214
150 H SER 22 H SER 22 -2.785 -1.184 0.956
151 HA SER 22 HA SER 22 -2.321 -3.183 3.027
152 1HB SER 22 2HB SER 22 -3.703 -1.365 3.768
153 2HB SER 22 1HB SER 22 -4.675 -1.419 2.300
154 HG SER 22 HG SER 22 -4.555 -3.524 4.204
155 H TYR 23 H TYR 23 -1.776 -4.809 1.557
156 HA TYR 23 HA TYR 23 -2.919 -5.603 -0.712
157 1HB TYR 23 2HB TYR 23 -2.030 -7.748 -0.409
158 2HB TYR 23 1HB TYR 23 -1.006 -6.708 0.571
159 HD1 TYR 23 1HD TYR 23 -3.607 -9.305 0.638
160 HD2 TYR 23 2HD TYR 23 -0.938 -6.944 2.968
161 HE1 TYR 23 1HE TYR 23 -4.007 -10.771 2.576
162 HE2 TYR 23 2HE TYR 23 -1.333 -8.401 4.909
163 HH TYR 23 HH TYR 23 -3.862 -10.540 5.117
164 HA PRO 24 HA PRO 24 -3.546 -6.398 -1.953
165 1HB PRO 24 2HB PRO 24 -5.325 -7.207 -3.740
166 2HB PRO 24 1HB PRO 24 -4.644 -8.350 -2.584
167 1HG PRO 24 2HG PRO 24 -7.357 -7.161 -2.677
168 2HG PRO 24 1HG PRO 24 -6.827 -8.702 -1.983
169 1HD PRO 24 2HD PRO 24 -7.231 -6.170 -0.641
170 2HD PRO 24 1HD PRO 24 -6.778 -7.735 0.070
171 H VAL 25 H VAL 25 -4.818 -3.940 -0.784
172 HA VAL 25 HA VAL 25 -5.239 -2.540 -3.324
173 HB VAL 25 HB VAL 25 -7.202 -1.977 -1.134
174 1HG1 VAL 25 1HG1 VAL 25 -7.580 -0.279 -2.509
175 2HG1 VAL 25 2HG1 VAL 25 -8.406 -1.455 -3.532
176 3HG1 VAL 25 3HG1 VAL 25 -6.718 -1.048 -3.842
177 1HG2 VAL 25 1HG2 VAL 25 -8.803 -3.469 -1.871
178 2HG2 VAL 25 2HG2 VAL 25 -7.326 -4.426 -2.003
179 3HG2 VAL 25 3HG2 VAL 25 -8.029 -3.685 -3.441
180 H CYS 26 H CYS 26 -4.501 -0.509 -3.295
181 HA CYS 26 HA CYS 26 -3.012 0.414 -1.031
182 1HB CYS 26 2HB CYS 26 -3.654 1.642 -3.715
183 2HB CYS 26 1HB CYS 26 -2.573 2.352 -2.534
184 H LYS 27 H LYS 27 -3.623 1.917 0.458
185 HA LYS 27 HA LYS 27 -6.121 3.372 0.005
186 1HB LYS 27 2HB LYS 27 -5.334 1.958 2.564
187 2HB LYS 27 1HB LYS 27 -6.789 2.895 2.306
188 1HG LYS 27 2HG LYS 27 -7.602 1.279 0.705
189 2HG LYS 27 1HG LYS 27 -6.097 0.368 0.832
190 1HD LYS 27 2HD LYS 27 -6.594 0.024 3.252
191 2HD LYS 27 1HD LYS 27 -8.162 0.790 2.989
192 1HE LYS 27 2HE LYS 27 -8.428 -1.604 2.918
193 2HE LYS 27 1HE LYS 27 -8.683 -0.943 1.304
194 1HZ LYS 27 1HZ LYS 27 -6.340 -2.444 2.323
195 2HZ LYS 27 2HZ LYS 27 -6.255 -1.515 0.908
196 3HZ LYS 27 3HZ LYS 27 -7.334 -2.813 1.003
Start of MODEL 3
1 1H SER 1 1HT SER 1 1.279 4.283 -8.148
2 2H SER 1 2HT SER 1 1.536 3.563 -9.656
3 3H SER 1 3HT SER 1 0.053 4.300 -9.319
4 HA SER 1 HA SER 1 2.221 5.449 -10.561
5 1HB SER 1 2HB SER 1 -0.171 6.733 -9.208
6 2HB SER 1 1HB SER 1 0.767 7.430 -10.530
7 HG SER 1 HG SER 1 -1.309 5.790 -10.694
8 H ALA 2 H ALA 2 1.751 8.149 -9.100
9 HA ALA 2 HA ALA 2 4.080 7.927 -7.388
10 1HB ALA 2 1HB ALA 2 3.750 9.878 -8.900
11 2HB ALA 2 2HB ALA 2 3.964 10.336 -7.210
12 3HB ALA 2 3HB ALA 2 2.354 10.348 -7.930
13 H ILE 3 H ILE 3 0.939 9.501 -6.884
14 HA ILE 3 HA ILE 3 0.986 8.761 -4.084
15 HB ILE 3 HB ILE 3 -1.156 10.359 -5.502
16 1HG1 ILE 3 2HG1 ILE 3 1.302 11.415 -4.082
17 2HG1 ILE 3 1HG1 ILE 3 1.080 11.400 -5.828
18 1HG2 ILE 3 1HG2 ILE 3 -1.791 9.506 -3.319
19 2HG2 ILE 3 2HG2 ILE 3 -1.569 11.255 -3.241
20 3HG2 ILE 3 3HG2 ILE 3 -0.325 10.179 -2.605
21 1HD1 ILE 3 1HD1 ILE 3 -0.955 12.759 -4.139
22 2HD1 ILE 3 2HD1 ILE 3 -0.431 13.114 -5.785
23 3HD1 ILE 3 3HD1 ILE 3 0.596 13.549 -4.419
24 H SER 4 H SER 4 0.931 6.536 -5.192
25 HA SER 4 HA SER 4 -1.313 5.510 -6.429
26 1HB SER 4 2HB SER 4 0.559 3.978 -4.638
27 2HB SER 4 1HB SER 4 -0.327 3.392 -6.041
28 HG SER 4 HG SER 4 2.061 4.702 -5.915
29 H CYS 5 H CYS 5 -3.264 5.309 -5.727
30 HA CYS 5 HA CYS 5 -3.848 4.114 -3.165
31 1HB CYS 5 2HB CYS 5 -4.350 6.943 -3.794
32 2HB CYS 5 1HB CYS 5 -5.753 6.077 -3.203
33 H GLY 6 H GLY 6 -4.983 5.511 -6.187
34 1HA GLY 6 2HA GLY 6 -7.399 3.932 -6.219
35 2HA GLY 6 1HA GLY 6 -6.831 5.001 -7.493
36 H GLU 7 H GLU 7 -5.226 2.246 -5.945
37 HA GLU 7 HA GLU 7 -5.574 0.574 -8.255
38 1HB GLU 7 2HB GLU 7 -3.210 0.277 -8.763
39 2HB GLU 7 1HB GLU 7 -3.679 1.950 -8.988
40 1HG GLU 7 2HG GLU 7 -2.771 2.309 -6.620
41 2HG GLU 7 1HG GLU 7 -1.998 0.743 -6.831
42 H THR 8 H THR 8 -4.840 -1.559 -7.903
43 HA THR 8 HA THR 8 -5.052 -2.319 -5.122
44 HB THR 8 HB THR 8 -4.969 -4.683 -6.191
45 HG1 THR 8 1HG THR 8 -5.689 -4.541 -8.444
46 1HG2 THR 8 1HG2 THR 8 -7.363 -4.461 -6.902
47 2HG2 THR 8 2HG2 THR 8 -7.201 -2.717 -6.693
48 3HG2 THR 8 3HG2 THR 8 -7.011 -3.791 -5.309
49 H CYS 9 H CYS 9 -3.616 -3.829 -4.097
50 HA CYS 9 HA CYS 9 -1.011 -4.226 -5.261
51 1HB CYS 9 2HB CYS 9 -0.691 -2.034 -4.329
52 2HB CYS 9 1HB CYS 9 -1.420 -2.526 -2.802
53 H PHE 10 H PHE 10 -0.984 -6.348 -4.991
54 HA PHE 10 HA PHE 10 -1.821 -7.540 -2.472
55 1HB PHE 10 2HB PHE 10 -1.073 -8.725 -5.150
56 2HB PHE 10 1HB PHE 10 -1.455 -9.687 -3.736
57 HD1 PHE 10 1HD PHE 10 -2.982 -6.784 -5.539
58 HD2 PHE 10 2HD PHE 10 -3.548 -10.596 -3.732
59 HE1 PHE 10 1HE PHE 10 -5.366 -6.708 -6.135
60 HE2 PHE 10 2HE PHE 10 -5.934 -10.525 -4.323
61 HZ PHE 10 HZ PHE 10 -6.846 -8.580 -5.528
62 H LYS 11 H LYS 11 0.545 -5.982 -2.330
63 HA LYS 11 HA LYS 11 2.350 -7.889 -1.206
64 1HB LYS 11 2HB LYS 11 2.742 -7.756 -3.838
65 2HB LYS 11 1HB LYS 11 3.658 -6.326 -3.388
66 1HG LYS 11 2HG LYS 11 5.258 -8.006 -3.439
67 2HG LYS 11 1HG LYS 11 4.865 -7.872 -1.724
68 1HD LYS 11 2HD LYS 11 3.530 -9.865 -3.543
69 2HD LYS 11 1HD LYS 11 5.026 -10.223 -2.684
70 1HE LYS 11 2HE LYS 11 3.997 -10.153 -0.605
71 2HE LYS 11 1HE LYS 11 2.641 -9.194 -1.198
72 1HZ LYS 11 1HZ LYS 11 1.640 -11.029 -2.134
73 2HZ LYS 11 2HZ LYS 11 2.294 -11.681 -0.716
74 3HZ LYS 11 3HZ LYS 11 3.072 -11.932 -2.197
75 H PHE 12 H PHE 12 4.183 -5.401 -2.430
76 HA PHE 12 HA PHE 12 3.552 -3.459 -0.336
77 1HB PHE 12 2HB PHE 12 6.300 -4.676 -0.751
78 2HB PHE 12 1HB PHE 12 5.975 -3.263 0.243
79 HD1 PHE 12 1HD PHE 12 5.471 -6.900 -0.061
80 HD2 PHE 12 2HD PHE 12 5.103 -3.472 2.436
81 HE1 PHE 12 1HE PHE 12 5.054 -8.359 1.875
82 HE2 PHE 12 2HE PHE 12 4.686 -4.926 4.376
83 HZ PHE 12 HZ PHE 12 4.662 -7.373 4.097
84 H LYS 13 H LYS 13 2.758 -2.811 -2.615
85 HA LYS 13 HA LYS 13 4.819 -1.750 -4.328
86 1HB LYS 13 2HB LYS 13 2.243 -2.721 -4.714
87 2HB LYS 13 1HB LYS 13 2.106 -0.995 -5.020
88 1HG LYS 13 2HG LYS 13 3.709 -1.094 -6.774
89 2HG LYS 13 1HG LYS 13 4.152 -2.753 -6.354
90 1HD LYS 13 2HD LYS 13 2.703 -2.721 -8.313
91 2HD LYS 13 1HD LYS 13 1.898 -3.505 -6.955
92 1HE LYS 13 2HE LYS 13 0.310 -2.075 -8.032
93 2HE LYS 13 1HE LYS 13 0.738 -1.347 -6.485
94 1HZ LYS 13 1HZ LYS 13 0.694 0.349 -8.153
95 2HZ LYS 13 2HZ LYS 13 1.729 -0.541 -9.162
96 3HZ LYS 13 3HZ LYS 13 2.310 0.090 -7.707
97 H CYS 14 H CYS 14 2.013 -0.397 -2.654
98 HA CYS 14 HA CYS 14 3.021 2.282 -3.098
99 1HB CYS 14 2HB CYS 14 0.492 1.408 -1.694
100 2HB CYS 14 1HB CYS 14 0.871 3.026 -2.283
101 H TYR 15 H TYR 15 3.669 3.697 -1.532
102 HA TYR 15 HA TYR 15 3.545 3.038 1.262
103 1HB TYR 15 2HB TYR 15 6.125 3.311 1.444
104 2HB TYR 15 1HB TYR 15 5.467 1.747 0.981
105 HD1 TYR 15 1HD TYR 15 6.478 0.658 -0.768
106 HD2 TYR 15 2HD TYR 15 6.631 4.911 -0.666
107 HE1 TYR 15 1HE TYR 15 7.885 0.652 -2.785
108 HE2 TYR 15 2HE TYR 15 8.034 4.914 -2.684
109 HH TYR 15 HH TYR 15 8.385 2.292 -4.684
110 H THR 16 H THR 16 2.694 5.065 -0.581
111 HA THR 16 HA THR 16 4.224 7.459 0.006
112 HB THR 16 HB THR 16 1.502 7.421 -1.274
113 HG1 THR 16 1HG THR 16 3.160 7.129 -3.245
114 1HG2 THR 16 1HG2 THR 16 2.491 9.590 -1.041
115 2HG2 THR 16 2HG2 THR 16 2.597 9.135 -2.742
116 3HG2 THR 16 3HG2 THR 16 4.023 9.024 -1.709
117 HA PRO 17 HA PRO 17 2.043 8.535 3.753
118 1HB PRO 17 2HB PRO 17 1.758 11.256 2.569
119 2HB PRO 17 1HB PRO 17 2.404 10.776 4.143
120 1HG PRO 17 2HG PRO 17 4.033 11.532 2.174
121 2HG PRO 17 1HG PRO 17 4.475 10.208 3.270
122 1HD PRO 17 2HD PRO 17 3.514 10.097 0.449
123 2HD PRO 17 1HD PRO 17 4.683 9.057 1.286
124 H ARG 18 H ARG 18 0.012 7.918 4.065
125 HA ARG 18 HA ARG 18 -2.238 7.741 3.997
126 1HB ARG 18 2HB ARG 18 -2.266 10.182 4.124
127 2HB ARG 18 1HB ARG 18 -2.081 10.293 2.384
128 1HG ARG 18 2HG ARG 18 -4.387 10.719 3.192
129 2HG ARG 18 1HG ARG 18 -4.270 9.402 2.024
130 1HD ARG 18 2HD ARG 18 -4.257 7.800 3.927
131 2HD ARG 18 1HD ARG 18 -4.533 9.155 5.018
132 HE ARG 18 HE ARG 18 -6.732 9.100 4.443
133 1HH1 ARG 18 1HH1 ARG 18 -4.932 7.407 1.940
134 2HH1 ARG 18 2HH1 ARG 18 -6.356 6.969 1.052
135 1HH2 ARG 18 1HH2 ARG 18 -8.601 8.509 3.263
136 2HH2 ARG 18 2HH2 ARG 18 -8.439 7.594 1.803
137 H CYS 19 H CYS 19 -0.357 6.772 1.818
138 HA CYS 19 HA CYS 19 -2.397 5.629 0.148
139 1HB CYS 19 2HB CYS 19 -0.396 7.614 -0.805
140 2HB CYS 19 1HB CYS 19 -0.736 6.237 -1.833
141 H SER 20 H SER 20 -1.312 4.097 1.863
142 HA SER 20 HA SER 20 1.164 2.974 0.779
143 1HB SER 20 2HB SER 20 1.176 3.508 3.163
144 2HB SER 20 1HB SER 20 -0.179 2.420 3.426
145 HG SER 20 HG SER 20 2.127 1.672 3.783
146 H CYS 21 H CYS 21 1.399 0.655 0.848
147 HA CYS 21 HA CYS 21 -0.831 -0.528 -0.546
148 1HB CYS 21 2HB CYS 21 1.290 -1.017 -1.493
149 2HB CYS 21 1HB CYS 21 1.953 -1.569 0.036
150 H SER 22 H SER 22 -2.403 -0.687 0.924
151 HA SER 22 HA SER 22 -2.013 -2.343 3.303
152 1HB SER 22 2HB SER 22 -3.272 -0.165 3.465
153 2HB SER 22 1HB SER 22 -4.466 -0.825 2.350
154 HG SER 22 HG SER 22 -4.759 -2.537 3.939
155 H TYR 23 H TYR 23 -1.535 -4.060 1.743
156 HA TYR 23 HA TYR 23 -2.876 -5.099 -0.251
157 1HB TYR 23 2HB TYR 23 -1.980 -7.206 0.198
158 2HB TYR 23 1HB TYR 23 -0.894 -6.095 1.013
159 HD1 TYR 23 1HD TYR 23 -3.500 -8.644 1.485
160 HD2 TYR 23 2HD TYR 23 -0.673 -6.107 3.405
161 HE1 TYR 23 1HE TYR 23 -3.777 -9.921 3.570
162 HE2 TYR 23 2HE TYR 23 -0.941 -7.378 5.496
163 HH TYR 23 HH TYR 23 -3.467 -9.740 5.880
164 HA PRO 24 HA PRO 24 -3.580 -6.070 -1.358
165 1HB PRO 24 2HB PRO 24 -5.496 -6.936 -2.962
166 2HB PRO 24 1HB PRO 24 -4.801 -8.002 -1.741
167 1HG PRO 24 2HG PRO 24 -7.447 -6.651 -1.781
168 2HG PRO 24 1HG PRO 24 -6.976 -8.185 -1.030
169 1HD PRO 24 2HD PRO 24 -7.174 -5.599 0.206
170 2HD PRO 24 1HD PRO 24 -6.679 -7.132 0.953
171 H VAL 25 H VAL 25 -4.671 -3.452 -0.355
172 HA VAL 25 HA VAL 25 -5.124 -2.249 -2.991
173 HB VAL 25 HB VAL 25 -6.930 -1.404 -0.742
174 1HG1 VAL 25 1HG1 VAL 25 -8.263 -0.825 -2.988
175 2HG1 VAL 25 2HG1 VAL 25 -6.608 -0.745 -3.595
176 3HG1 VAL 25 3HG1 VAL 25 -7.099 0.267 -2.237
177 1HG2 VAL 25 1HG2 VAL 25 -8.042 -3.339 -0.905
178 2HG2 VAL 25 2HG2 VAL 25 -7.221 -3.792 -2.398
179 3HG2 VAL 25 3HG2 VAL 25 -8.616 -2.715 -2.451
180 H CYS 26 H CYS 26 -4.397 -0.131 -3.126
181 HA CYS 26 HA CYS 26 -2.653 0.704 -0.998
182 1HB CYS 26 2HB CYS 26 -3.268 1.862 -3.718
183 2HB CYS 26 1HB CYS 26 -2.054 2.487 -2.618
184 H LYS 27 H LYS 27 -3.250 1.964 0.613
185 HA LYS 27 HA LYS 27 -5.073 4.178 0.218
186 1HB LYS 27 2HB LYS 27 -6.613 2.312 0.656
187 2HB LYS 27 1HB LYS 27 -5.713 1.879 2.097
188 1HG LYS 27 2HG LYS 27 -7.040 4.556 1.823
189 2HG LYS 27 1HG LYS 27 -7.924 3.133 2.368
190 1HD LYS 27 2HD LYS 27 -5.502 4.369 3.684
191 2HD LYS 27 1HD LYS 27 -7.161 4.418 4.277
192 1HE LYS 27 2HE LYS 27 -6.249 2.727 5.556
193 2HE LYS 27 1HE LYS 27 -6.972 1.822 4.230
194 1HZ LYS 27 1HZ LYS 27 -4.343 1.739 5.070
195 2HZ LYS 27 2HZ LYS 27 -4.298 2.560 3.589
196 3HZ LYS 27 3HZ LYS 27 -4.992 1.016 3.688
Start of MODEL 4
1 1H SER 1 1HT SER 1 0.845 15.512 -6.133
2 2H SER 1 2HT SER 1 -0.037 14.663 -7.303
3 3H SER 1 3HT SER 1 1.170 13.874 -6.413
4 HA SER 1 HA SER 1 -0.906 15.104 -4.832
5 1HB SER 1 2HB SER 1 -1.502 12.595 -6.414
6 2HB SER 1 1HB SER 1 -2.617 13.543 -5.424
7 HG SER 1 HG SER 1 -2.943 14.054 -7.589
8 H ALA 2 H ALA 2 -1.154 13.911 -2.890
9 HA ALA 2 HA ALA 2 1.126 12.271 -2.236
10 1HB ALA 2 1HB ALA 2 -1.045 13.610 -0.732
11 2HB ALA 2 2HB ALA 2 0.691 13.569 -0.426
12 3HB ALA 2 3HB ALA 2 -0.314 12.187 0.011
13 H ILE 3 H ILE 3 -2.397 11.816 -1.957
14 HA ILE 3 HA ILE 3 -2.131 8.998 -1.618
15 HB ILE 3 HB ILE 3 -3.882 10.220 -0.450
16 1HG1 ILE 3 2HG1 ILE 3 -5.807 8.762 -0.962
17 2HG1 ILE 3 1HG1 ILE 3 -5.028 8.269 -2.461
18 1HG2 ILE 3 1HG2 ILE 3 -4.572 11.122 -3.164
19 2HG2 ILE 3 2HG2 ILE 3 -4.720 11.947 -1.613
20 3HG2 ILE 3 3HG2 ILE 3 -5.930 10.761 -2.098
21 1HD1 ILE 3 1HD1 ILE 3 -4.492 7.449 0.316
22 2HD1 ILE 3 2HD1 ILE 3 -3.088 7.638 -0.734
23 3HD1 ILE 3 3HD1 ILE 3 -4.385 6.531 -1.186
24 H SER 4 H SER 4 -0.870 9.434 -3.910
25 HA SER 4 HA SER 4 -2.576 9.136 -6.203
26 1HB SER 4 2HB SER 4 0.420 8.791 -5.947
27 2HB SER 4 1HB SER 4 -0.494 9.017 -7.429
28 HG SER 4 HG SER 4 0.410 10.864 -5.663
29 H CYS 5 H CYS 5 -3.374 7.197 -4.607
30 HA CYS 5 HA CYS 5 -2.196 4.759 -5.712
31 1HB CYS 5 2HB CYS 5 -3.203 5.250 -2.904
32 2HB CYS 5 1HB CYS 5 -2.636 3.713 -3.524
33 H GLY 6 H GLY 6 -4.629 4.164 -3.502
34 1HA GLY 6 2HA GLY 6 -6.915 3.836 -3.655
35 2HA GLY 6 1HA GLY 6 -6.888 4.596 -5.235
36 H GLU 7 H GLU 7 -4.993 2.868 -6.464
37 HA GLU 7 HA GLU 7 -6.728 0.757 -7.254
38 1HB GLU 7 2HB GLU 7 -4.885 0.089 -8.739
39 2HB GLU 7 1HB GLU 7 -5.278 1.796 -8.866
40 1HG GLU 7 2HG GLU 7 -3.354 2.370 -7.515
41 2HG GLU 7 1HG GLU 7 -2.980 0.661 -7.290
42 H THR 8 H THR 8 -5.279 -1.394 -7.735
43 HA THR 8 HA THR 8 -5.235 -2.720 -5.201
44 HB THR 8 HB THR 8 -4.502 -4.697 -6.678
45 HG1 THR 8 1HG THR 8 -3.964 -2.958 -8.407
46 1HG2 THR 8 1HG2 THR 8 -6.685 -5.214 -6.800
47 2HG2 THR 8 2HG2 THR 8 -7.052 -3.807 -7.799
48 3HG2 THR 8 3HG2 THR 8 -6.961 -3.644 -6.044
49 H CYS 9 H CYS 9 -3.524 -3.911 -4.289
50 HA CYS 9 HA CYS 9 -0.818 -3.511 -5.268
51 1HB CYS 9 2HB CYS 9 -1.287 -1.509 -3.880
52 2HB CYS 9 1HB CYS 9 -1.650 -2.559 -2.519
53 H PHE 10 H PHE 10 -0.807 -5.772 -5.486
54 HA PHE 10 HA PHE 10 -1.444 -7.487 -3.283
55 1HB PHE 10 2HB PHE 10 -0.256 -7.984 -6.009
56 2HB PHE 10 1HB PHE 10 -0.523 -9.263 -4.839
57 HD1 PHE 10 1HD PHE 10 -2.398 -10.519 -5.174
58 HD2 PHE 10 2HD PHE 10 -2.475 -6.404 -6.258
59 HE1 PHE 10 1HE PHE 10 -4.709 -10.777 -5.980
60 HE2 PHE 10 2HE PHE 10 -4.786 -6.655 -7.062
61 HZ PHE 10 HZ PHE 10 -5.906 -8.843 -6.924
62 H LYS 11 H LYS 11 0.406 -5.846 -2.239
63 HA LYS 11 HA LYS 11 2.351 -7.542 -1.202
64 1HB LYS 11 2HB LYS 11 3.115 -6.943 -3.731
65 2HB LYS 11 1HB LYS 11 3.859 -5.606 -2.860
66 1HG LYS 11 2HG LYS 11 5.233 -7.012 -1.622
67 2HG LYS 11 1HG LYS 11 4.230 -8.428 -1.939
68 1HD LYS 11 2HD LYS 11 5.980 -6.976 -3.924
69 2HD LYS 11 1HD LYS 11 6.278 -8.568 -3.224
70 1HE LYS 11 2HE LYS 11 4.053 -7.777 -5.099
71 2HE LYS 11 1HE LYS 11 5.396 -8.869 -5.434
72 1HZ LYS 11 1HZ LYS 11 2.918 -9.353 -3.984
73 2HZ LYS 11 2HZ LYS 11 4.307 -10.072 -3.332
74 3HZ LYS 11 3HZ LYS 11 3.852 -10.410 -4.924
75 H PHE 12 H PHE 12 4.040 -4.763 -1.777
76 HA PHE 12 HA PHE 12 2.730 -3.061 0.157
77 1HB PHE 12 2HB PHE 12 4.934 -2.898 1.484
78 2HB PHE 12 1HB PHE 12 3.917 -4.304 1.765
79 HD1 PHE 12 1HD PHE 12 4.950 -6.338 1.876
80 HD2 PHE 12 2HD PHE 12 6.735 -3.271 -0.471
81 HE1 PHE 12 1HE PHE 12 6.853 -7.820 1.395
82 HE2 PHE 12 2HE PHE 12 8.640 -4.750 -0.962
83 HZ PHE 12 HZ PHE 12 8.700 -7.028 -0.028
84 H LYS 13 H LYS 13 3.029 -2.609 -2.480
85 HA LYS 13 HA LYS 13 5.438 -1.069 -2.898
86 1HB LYS 13 2HB LYS 13 4.685 -2.514 -4.694
87 2HB LYS 13 1HB LYS 13 3.140 -1.683 -4.752
88 1HG LYS 13 2HG LYS 13 4.696 -1.065 -6.579
89 2HG LYS 13 1HG LYS 13 4.155 0.302 -5.608
90 1HD LYS 13 2HD LYS 13 6.529 0.490 -6.080
91 2HD LYS 13 1HD LYS 13 6.269 0.234 -4.356
92 1HE LYS 13 2HE LYS 13 6.770 -2.169 -4.684
93 2HE LYS 13 1HE LYS 13 7.130 -1.832 -6.377
94 1HZ LYS 13 1HZ LYS 13 8.929 -1.772 -4.365
95 2HZ LYS 13 2HZ LYS 13 8.544 -0.130 -4.527
96 3HZ LYS 13 3HZ LYS 13 9.122 -1.003 -5.860
97 H CYS 14 H CYS 14 2.101 -0.413 -2.175
98 HA CYS 14 HA CYS 14 2.378 2.366 -2.938
99 1HB CYS 14 2HB CYS 14 0.132 0.751 -1.778
100 2HB CYS 14 1HB CYS 14 0.060 2.510 -1.786
101 H TYR 15 H TYR 15 4.262 2.548 -1.524
102 HA TYR 15 HA TYR 15 3.563 3.041 1.283
103 1HB TYR 15 2HB TYR 15 6.167 3.266 1.435
104 2HB TYR 15 1HB TYR 15 5.437 1.669 1.332
105 HD1 TYR 15 1HD TYR 15 6.520 4.290 -1.136
106 HD2 TYR 15 2HD TYR 15 6.609 0.198 0.031
107 HE1 TYR 15 1HE TYR 15 7.905 3.764 -3.100
108 HE2 TYR 15 2HE TYR 15 7.996 -0.336 -1.926
109 HH TYR 15 HH TYR 15 9.328 2.160 -3.974
110 H THR 16 H THR 16 2.903 4.677 -1.039
111 HA THR 16 HA THR 16 4.493 7.007 -1.186
112 HB THR 16 HB THR 16 1.584 7.213 -1.730
113 HG1 THR 16 1HG THR 16 1.532 5.650 -3.241
114 1HG2 THR 16 1HG2 THR 16 4.103 8.212 -2.795
115 2HG2 THR 16 2HG2 THR 16 2.478 8.885 -2.926
116 3HG2 THR 16 3HG2 THR 16 3.013 7.646 -4.062
117 HA PRO 17 HA PRO 17 3.439 9.194 2.546
118 1HB PRO 17 2HB PRO 17 3.059 11.565 0.779
119 2HB PRO 17 1HB PRO 17 4.054 11.390 2.230
120 1HG PRO 17 2HG PRO 17 5.172 11.416 -0.186
121 2HG PRO 17 1HG PRO 17 5.774 10.337 1.086
122 1HD PRO 17 2HD PRO 17 4.094 9.706 -1.300
123 2HD PRO 17 1HD PRO 17 5.366 8.739 -0.526
124 H ARG 18 H ARG 18 1.545 9.070 3.523
125 HA ARG 18 HA ARG 18 -0.644 9.230 4.053
126 1HB ARG 18 2HB ARG 18 -0.329 11.585 3.187
127 2HB ARG 18 1HB ARG 18 -0.945 11.022 1.646
128 1HG ARG 18 2HG ARG 18 -3.081 10.449 2.712
129 2HG ARG 18 1HG ARG 18 -2.450 11.011 4.262
130 1HD ARG 18 2HD ARG 18 -2.815 12.685 1.780
131 2HD ARG 18 1HD ARG 18 -3.864 12.695 3.195
132 HE ARG 18 HE ARG 18 -1.213 13.248 3.977
133 1HH1 ARG 18 1HH1 ARG 18 -3.906 14.708 2.295
134 2HH1 ARG 18 2HH1 ARG 18 -3.437 16.333 2.672
135 1HH2 ARG 18 1HH2 ARG 18 -0.578 15.395 4.486
136 2HH2 ARG 18 2HH2 ARG 18 -1.535 16.725 3.922
137 H CYS 19 H CYS 19 0.363 7.140 2.462
138 HA CYS 19 HA CYS 19 -2.095 6.111 1.338
139 1HB CYS 19 2HB CYS 19 -1.227 6.957 -0.690
140 2HB CYS 19 1HB CYS 19 0.424 6.530 -0.264
141 H SER 20 H SER 20 -2.251 3.917 1.647
142 HA SER 20 HA SER 20 0.173 2.563 2.620
143 1HB SER 20 2HB SER 20 -2.068 1.418 3.909
144 2HB SER 20 1HB SER 20 -0.735 2.316 4.631
145 HG SER 20 HG SER 20 -2.950 3.620 3.427
146 H CYS 21 H CYS 21 0.563 0.633 1.825
147 HA CYS 21 HA CYS 21 -1.306 -0.440 -0.124
148 1HB CYS 21 2HB CYS 21 0.930 -0.399 -0.936
149 2HB CYS 21 1HB CYS 21 1.572 -1.133 0.527
150 H SER 22 H SER 22 -2.932 -1.178 1.192
151 HA SER 22 HA SER 22 -2.295 -3.200 3.194
152 1HB SER 22 2HB SER 22 -3.966 -1.414 3.734
153 2HB SER 22 1HB SER 22 -4.976 -2.001 2.415
154 HG SER 22 HG SER 22 -5.197 -3.959 3.511
155 H TYR 23 H TYR 23 -1.544 -4.755 1.760
156 HA TYR 23 HA TYR 23 -2.475 -5.585 -0.598
157 1HB TYR 23 2HB TYR 23 -1.401 -7.640 -0.288
158 2HB TYR 23 1HB TYR 23 -0.547 -6.546 0.787
159 HD1 TYR 23 1HD TYR 23 -0.612 -6.857 3.175
160 HD2 TYR 23 2HD TYR 23 -2.892 -9.368 0.602
161 HE1 TYR 23 1HE TYR 23 -0.980 -8.419 5.038
162 HE2 TYR 23 2HE TYR 23 -3.270 -10.936 2.464
163 HH TYR 23 HH TYR 23 -3.275 -10.596 5.183
164 HA PRO 24 HA PRO 24 -2.988 -6.362 -1.900
165 1HB PRO 24 2HB PRO 24 -4.591 -7.285 -3.792
166 2HB PRO 24 1HB PRO 24 -3.855 -8.391 -2.632
167 1HG PRO 24 2HG PRO 24 -6.665 -7.471 -2.833
168 2HG PRO 24 1HG PRO 24 -6.019 -8.972 -2.149
169 1HD PRO 24 2HD PRO 24 -6.727 -6.523 -0.771
170 2HD PRO 24 1HD PRO 24 -6.172 -8.061 -0.075
171 H VAL 25 H VAL 25 -4.455 -4.033 -0.760
172 HA VAL 25 HA VAL 25 -5.013 -2.686 -3.309
173 HB VAL 25 HB VAL 25 -6.951 -2.178 -1.089
174 1HG1 VAL 25 1HG1 VAL 25 -6.661 -0.749 -3.178
175 2HG1 VAL 25 2HG1 VAL 25 -8.298 -1.238 -2.741
176 3HG1 VAL 25 3HG1 VAL 25 -7.446 -2.072 -4.041
177 1HG2 VAL 25 1HG2 VAL 25 -7.773 -4.254 -1.200
178 2HG2 VAL 25 2HG2 VAL 25 -6.838 -4.639 -2.645
179 3HG2 VAL 25 3HG2 VAL 25 -8.379 -3.794 -2.791
180 H CYS 26 H CYS 26 -4.545 -0.523 -3.319
181 HA CYS 26 HA CYS 26 -3.052 0.528 -1.077
182 1HB CYS 26 2HB CYS 26 -3.739 1.792 -3.737
183 2HB CYS 26 1HB CYS 26 -2.507 2.315 -2.612
184 H LYS 27 H LYS 27 -3.973 1.836 0.440
185 HA LYS 27 HA LYS 27 -6.274 3.457 -0.330
186 1HB LYS 27 2HB LYS 27 -6.127 1.617 2.063
187 2HB LYS 27 1HB LYS 27 -7.308 2.899 1.897
188 1HG LYS 27 2HG LYS 27 -7.010 0.479 0.139
189 2HG LYS 27 1HG LYS 27 -8.320 0.821 1.271
190 1HD LYS 27 2HD LYS 27 -9.135 2.598 -0.064
191 2HD LYS 27 1HD LYS 27 -7.676 2.619 -1.056
192 1HE LYS 27 2HE LYS 27 -8.335 0.192 -1.652
193 2HE LYS 27 1HE LYS 27 -9.928 0.649 -1.048
194 1HZ LYS 27 1HZ LYS 27 -9.534 2.669 -2.648
195 2HZ LYS 27 2HZ LYS 27 -10.139 1.203 -3.233
196 3HZ LYS 27 3HZ LYS 27 -8.499 1.580 -3.432
Start of MODEL 5
1 1H SER 1 1HT SER 1 0.175 6.718 -11.858
2 2H SER 1 2HT SER 1 1.327 5.484 -11.787
3 3H SER 1 3HT SER 1 1.750 7.061 -11.342
4 HA SER 1 HA SER 1 -0.481 6.005 -9.888
5 1HB SER 1 2HB SER 1 2.258 4.746 -9.593
6 2HB SER 1 1HB SER 1 0.839 4.400 -8.600
7 HG SER 1 HG SER 1 -0.210 3.612 -10.448
8 H ALA 2 H ALA 2 0.338 8.602 -10.107
9 HA ALA 2 HA ALA 2 2.302 9.430 -8.253
10 1HB ALA 2 1HB ALA 2 0.651 10.696 -10.081
11 2HB ALA 2 2HB ALA 2 1.770 11.488 -8.972
12 3HB ALA 2 3HB ALA 2 0.076 11.292 -8.523
13 H ILE 3 H ILE 3 -1.226 9.277 -8.017
14 HA ILE 3 HA ILE 3 -1.084 9.402 -5.127
15 HB ILE 3 HB ILE 3 -3.548 9.230 -6.879
16 1HG1 ILE 3 2HG1 ILE 3 -2.282 11.676 -5.616
17 2HG1 ILE 3 1HG1 ILE 3 -2.231 11.282 -7.330
18 1HG2 ILE 3 1HG2 ILE 3 -3.279 8.808 -4.165
19 2HG2 ILE 3 2HG2 ILE 3 -4.773 9.220 -5.008
20 3HG2 ILE 3 3HG2 ILE 3 -3.800 10.490 -4.267
21 1HD1 ILE 3 1HD1 ILE 3 -3.917 12.991 -6.728
22 2HD1 ILE 3 2HD1 ILE 3 -4.763 11.768 -5.780
23 3HD1 ILE 3 3HD1 ILE 3 -4.598 11.572 -7.526
24 H SER 4 H SER 4 0.013 7.398 -4.980
25 HA SER 4 HA SER 4 -0.840 4.970 -6.061
26 1HB SER 4 2HB SER 4 0.680 5.168 -3.485
27 2HB SER 4 1HB SER 4 0.897 4.051 -4.829
28 HG SER 4 HG SER 4 1.488 6.056 -6.051
29 H CYS 5 H CYS 5 -3.199 5.597 -5.353
30 HA CYS 5 HA CYS 5 -3.822 4.005 -2.972
31 1HB CYS 5 2HB CYS 5 -4.710 6.755 -3.702
32 2HB CYS 5 1HB CYS 5 -5.841 5.703 -2.878
33 H GLY 6 H GLY 6 -4.996 5.440 -5.962
34 1HA GLY 6 2HA GLY 6 -7.389 4.010 -6.204
35 2HA GLY 6 1HA GLY 6 -6.495 4.721 -7.539
36 H GLU 7 H GLU 7 -4.100 3.099 -7.033
37 HA GLU 7 HA GLU 7 -4.918 0.806 -8.556
38 1HB GLU 7 2HB GLU 7 -2.214 1.511 -7.428
39 2HB GLU 7 1HB GLU 7 -2.539 0.209 -8.560
40 1HG GLU 7 2HG GLU 7 -1.917 1.715 -10.061
41 2HG GLU 7 1HG GLU 7 -3.578 2.273 -9.915
42 H THR 8 H THR 8 -4.642 -1.336 -8.032
43 HA THR 8 HA THR 8 -5.091 -1.983 -5.250
44 HB THR 8 HB THR 8 -5.075 -4.385 -6.237
45 HG1 THR 8 1HG THR 8 -5.695 -4.082 -8.619
46 1HG2 THR 8 1HG2 THR 8 -7.272 -4.071 -6.038
47 2HG2 THR 8 2HG2 THR 8 -7.301 -3.314 -7.630
48 3HG2 THR 8 3HG2 THR 8 -7.053 -2.327 -6.189
49 H CYS 9 H CYS 9 -3.734 -3.640 -4.136
50 HA CYS 9 HA CYS 9 -1.082 -4.025 -5.201
51 1HB CYS 9 2HB CYS 9 -1.007 -1.773 -4.190
52 2HB CYS 9 1HB CYS 9 -1.483 -2.474 -2.647
53 H PHE 10 H PHE 10 -1.156 -6.179 -4.977
54 HA PHE 10 HA PHE 10 -2.024 -7.374 -2.472
55 1HB PHE 10 2HB PHE 10 -1.259 -8.547 -5.149
56 2HB PHE 10 1HB PHE 10 -1.680 -9.516 -3.752
57 HD1 PHE 10 1HD PHE 10 -3.779 -10.405 -3.825
58 HD2 PHE 10 2HD PHE 10 -3.136 -6.554 -5.520
59 HE1 PHE 10 1HE PHE 10 -6.151 -10.296 -4.472
60 HE2 PHE 10 2HE PHE 10 -5.506 -6.437 -6.164
61 HZ PHE 10 HZ PHE 10 -7.017 -8.310 -5.641
62 H LYS 11 H LYS 11 0.444 -5.859 -2.432
63 HA LYS 11 HA LYS 11 2.184 -7.826 -1.253
64 1HB LYS 11 2HB LYS 11 2.951 -6.468 -3.828
65 2HB LYS 11 1HB LYS 11 4.182 -6.933 -2.666
66 1HG LYS 11 2HG LYS 11 2.217 -8.799 -3.978
67 2HG LYS 11 1HG LYS 11 3.913 -8.600 -4.424
68 1HD LYS 11 2HD LYS 11 4.653 -9.499 -2.355
69 2HD LYS 11 1HD LYS 11 3.034 -9.412 -1.661
70 1HE LYS 11 2HE LYS 11 3.602 -11.703 -2.260
71 2HE LYS 11 1HE LYS 11 2.261 -11.109 -3.238
72 1HZ LYS 11 1HZ LYS 11 4.124 -12.379 -4.399
73 2HZ LYS 11 2HZ LYS 11 5.043 -10.971 -4.218
74 3HZ LYS 11 3HZ LYS 11 3.604 -10.932 -5.107
75 H PHE 12 H PHE 12 3.961 -5.217 -2.418
76 HA PHE 12 HA PHE 12 3.265 -3.337 -0.328
77 1HB PHE 12 2HB PHE 12 4.860 -4.959 0.752
78 2HB PHE 12 1HB PHE 12 6.068 -4.483 -0.436
79 HD1 PHE 12 1HD PHE 12 7.712 -3.368 0.752
80 HD2 PHE 12 2HD PHE 12 3.626 -2.407 1.459
81 HE1 PHE 12 1HE PHE 12 8.404 -1.500 2.198
82 HE2 PHE 12 2HE PHE 12 4.311 -0.538 2.905
83 HZ PHE 12 HZ PHE 12 6.703 -0.083 3.275
84 H LYS 13 H LYS 13 2.804 -2.788 -2.792
85 HA LYS 13 HA LYS 13 5.106 -1.619 -4.088
86 1HB LYS 13 2HB LYS 13 3.627 -2.793 -5.538
87 2HB LYS 13 1HB LYS 13 2.228 -1.941 -4.910
88 1HG LYS 13 2HG LYS 13 4.259 -0.213 -6.130
89 2HG LYS 13 1HG LYS 13 3.494 -1.356 -7.236
90 1HD LYS 13 2HD LYS 13 2.026 0.565 -5.425
91 2HD LYS 13 1HD LYS 13 2.313 0.811 -7.149
92 1HE LYS 13 2HE LYS 13 0.998 -1.145 -7.687
93 2HE LYS 13 1HE LYS 13 0.801 -1.522 -5.977
94 1HZ LYS 13 1HZ LYS 13 -1.175 -0.470 -6.775
95 2HZ LYS 13 2HZ LYS 13 -0.302 0.832 -7.414
96 3HZ LYS 13 3HZ LYS 13 -0.392 0.616 -5.738
97 H CYS 14 H CYS 14 2.110 -0.497 -2.607
98 HA CYS 14 HA CYS 14 2.857 2.267 -3.099
99 1HB CYS 14 2HB CYS 14 0.445 1.080 -1.712
100 2HB CYS 14 1HB CYS 14 0.693 2.800 -1.990
101 H TYR 15 H TYR 15 3.618 3.664 -1.607
102 HA TYR 15 HA TYR 15 3.541 3.092 1.207
103 1HB TYR 15 2HB TYR 15 6.135 3.384 1.316
104 2HB TYR 15 1HB TYR 15 5.456 1.800 0.966
105 HD1 TYR 15 1HD TYR 15 6.462 0.599 -0.707
106 HD2 TYR 15 2HD TYR 15 6.543 4.851 -0.930
107 HE1 TYR 15 1HE TYR 15 7.820 0.464 -2.753
108 HE2 TYR 15 2HE TYR 15 7.895 4.722 -2.981
109 HH TYR 15 HH TYR 15 8.255 1.944 -4.774
110 H THR 16 H THR 16 2.642 5.030 -0.669
111 HA THR 16 HA THR 16 4.150 7.462 -0.188
112 HB THR 16 HB THR 16 1.440 7.335 -1.491
113 HG1 THR 16 1HG THR 16 2.510 6.660 -3.441
114 1HG2 THR 16 1HG2 THR 16 3.950 8.953 -1.887
115 2HG2 THR 16 2HG2 THR 16 2.339 9.521 -1.451
116 3HG2 THR 16 3HG2 THR 16 2.653 8.928 -3.081
117 HA PRO 17 HA PRO 17 1.979 8.692 3.511
118 1HB PRO 17 2HB PRO 17 1.470 11.285 2.121
119 2HB PRO 17 1HB PRO 17 2.146 10.984 3.725
120 1HG PRO 17 2HG PRO 17 3.728 11.682 1.704
121 2HG PRO 17 1HG PRO 17 4.248 10.468 2.887
122 1HD PRO 17 2HD PRO 17 3.301 10.102 0.084
123 2HD PRO 17 1HD PRO 17 4.522 9.189 0.992
124 H ARG 18 H ARG 18 0.071 7.809 3.855
125 HA ARG 18 HA ARG 18 -2.119 7.330 3.875
126 1HB ARG 18 2HB ARG 18 -2.343 9.772 4.211
127 2HB ARG 18 1HB ARG 18 -2.465 9.981 2.475
128 1HG ARG 18 2HG ARG 18 -4.611 9.927 3.959
129 2HG ARG 18 1HG ARG 18 -4.602 9.135 2.383
130 1HD ARG 18 2HD ARG 18 -5.632 7.710 4.074
131 2HD ARG 18 1HD ARG 18 -4.146 6.989 3.459
132 HE ARG 18 HE ARG 18 -3.949 8.522 5.925
133 1HH1 ARG 18 1HH1 ARG 18 -4.068 5.400 4.329
134 2HH1 ARG 18 2HH1 ARG 18 -3.569 4.523 5.748
135 1HH2 ARG 18 1HH2 ARG 18 -3.297 7.357 7.800
136 2HH2 ARG 18 2HH2 ARG 18 -3.140 5.634 7.720
137 H CYS 19 H CYS 19 -0.416 6.511 1.738
138 HA CYS 19 HA CYS 19 -2.398 5.454 -0.048
139 1HB CYS 19 2HB CYS 19 -0.314 7.419 -0.867
140 2HB CYS 19 1HB CYS 19 -0.573 6.039 -1.915
141 H SER 20 H SER 20 -1.347 4.109 1.866
142 HA SER 20 HA SER 20 1.154 2.860 1.066
143 1HB SER 20 2HB SER 20 0.459 1.578 3.345
144 2HB SER 20 1HB SER 20 1.360 3.092 3.304
145 HG SER 20 HG SER 20 -1.466 3.145 3.295
146 H CYS 21 H CYS 21 1.421 0.631 0.858
147 HA CYS 21 HA CYS 21 -0.781 -0.611 -0.494
148 1HB CYS 21 2HB CYS 21 1.417 -0.893 -1.422
149 2HB CYS 21 1HB CYS 21 2.032 -1.578 0.073
150 H SER 22 H SER 22 -2.301 -0.827 1.174
151 HA SER 22 HA SER 22 -1.677 -2.703 3.313
152 1HB SER 22 2HB SER 22 -4.230 -2.069 3.767
153 2HB SER 22 1HB SER 22 -2.926 -1.001 4.277
154 HG SER 22 HG SER 22 -4.174 -0.770 1.742
155 H TYR 23 H TYR 23 -1.364 -4.390 1.794
156 HA TYR 23 HA TYR 23 -2.803 -5.249 -0.249
157 1HB TYR 23 2HB TYR 23 -1.953 -7.407 0.033
158 2HB TYR 23 1HB TYR 23 -0.796 -6.377 0.860
159 HD1 TYR 23 1HD TYR 23 -0.442 -6.572 3.228
160 HD2 TYR 23 2HD TYR 23 -3.482 -8.849 1.307
161 HE1 TYR 23 1HE TYR 23 -0.647 -7.976 5.235
162 HE2 TYR 23 2HE TYR 23 -3.701 -10.256 3.316
163 HH TYR 23 HH TYR 23 -3.162 -9.828 5.931
164 HA PRO 24 HA PRO 24 -3.606 -6.074 -1.389
165 1HB PRO 24 2HB PRO 24 -5.615 -6.844 -2.926
166 2HB PRO 24 1HB PRO 24 -4.863 -7.983 -1.810
167 1HG PRO 24 2HG PRO 24 -7.500 -6.635 -1.634
168 2HG PRO 24 1HG PRO 24 -6.989 -8.195 -0.971
169 1HD PRO 24 2HD PRO 24 -7.096 -5.638 0.361
170 2HD PRO 24 1HD PRO 24 -6.618 -7.211 1.038
171 H VAL 25 H VAL 25 -4.615 -3.514 -0.178
172 HA VAL 25 HA VAL 25 -5.335 -2.210 -2.714
173 HB VAL 25 HB VAL 25 -6.822 -1.460 -0.208
174 1HG1 VAL 25 1HG1 VAL 25 -7.725 -0.985 -3.016
175 2HG1 VAL 25 2HG1 VAL 25 -6.535 0.075 -2.258
176 3HG1 VAL 25 3HG1 VAL 25 -8.137 -0.106 -1.543
177 1HG2 VAL 25 1HG2 VAL 25 -8.175 -3.211 -0.365
178 2HG2 VAL 25 2HG2 VAL 25 -7.265 -3.817 -1.750
179 3HG2 VAL 25 3HG2 VAL 25 -8.614 -2.708 -1.998
180 H CYS 26 H CYS 26 -4.649 -0.100 -2.885
181 HA CYS 26 HA CYS 26 -2.636 0.740 -0.982
182 1HB CYS 26 2HB CYS 26 -3.551 1.719 -3.688
183 2HB CYS 26 1HB CYS 26 -2.317 2.540 -2.764
184 H LYS 27 H LYS 27 -3.281 1.920 0.768
185 HA LYS 27 HA LYS 27 -5.056 4.182 0.375
186 1HB LYS 27 2HB LYS 27 -6.532 2.186 0.815
187 2HB LYS 27 1HB LYS 27 -5.775 2.053 2.396
188 1HG LYS 27 2HG LYS 27 -6.566 4.337 2.919
189 2HG LYS 27 1HG LYS 27 -7.411 4.360 1.370
190 1HD LYS 27 2HD LYS 27 -8.711 2.401 2.062
191 2HD LYS 27 1HD LYS 27 -7.872 2.402 3.615
192 1HE LYS 27 2HE LYS 27 -8.760 4.637 4.085
193 2HE LYS 27 1HE LYS 27 -9.605 4.623 2.538
194 1HZ LYS 27 1HZ LYS 27 -10.094 2.842 4.859
195 2HZ LYS 27 2HZ LYS 27 -10.802 2.619 3.340
196 3HZ LYS 27 3HZ LYS 27 -11.140 4.016 4.232
Start of MODEL 6
1 1H SER 1 1HT SER 1 0.161 7.716 -11.826
2 2H SER 1 2HT SER 1 1.520 7.484 -10.839
3 3H SER 1 3HT SER 1 1.479 8.775 -11.933
4 HA SER 1 HA SER 1 0.158 10.046 -10.640
5 1HB SER 1 2HB SER 1 -0.902 7.580 -9.252
6 2HB SER 1 1HB SER 1 -1.669 9.162 -9.398
7 HG SER 1 HG SER 1 -2.292 7.250 -10.862
8 H ALA 2 H ALA 2 0.681 11.011 -8.610
9 HA ALA 2 HA ALA 2 3.032 10.009 -7.337
10 1HB ALA 2 1HB ALA 2 1.148 12.252 -6.615
11 2HB ALA 2 2HB ALA 2 2.746 12.375 -7.351
12 3HB ALA 2 3HB ALA 2 2.587 11.853 -5.674
13 H ILE 3 H ILE 3 -0.310 10.441 -6.215
14 HA ILE 3 HA ILE 3 0.171 8.636 -4.006
15 HB ILE 3 HB ILE 3 -2.370 10.134 -4.654
16 1HG1 ILE 3 2HG1 ILE 3 -0.569 11.748 -4.305
17 2HG1 ILE 3 1HG1 ILE 3 -1.667 11.764 -2.930
18 1HG2 ILE 3 1HG2 ILE 3 -1.422 8.816 -2.113
19 2HG2 ILE 3 2HG2 ILE 3 -2.704 8.240 -3.178
20 3HG2 ILE 3 3HG2 ILE 3 -2.908 9.749 -2.289
21 1HD1 ILE 3 1HD1 ILE 3 0.222 9.945 -2.154
22 2HD1 ILE 3 2HD1 ILE 3 0.172 11.646 -1.690
23 3HD1 ILE 3 3HD1 ILE 3 1.168 11.133 -3.053
24 H SER 4 H SER 4 0.472 6.833 -5.513
25 HA SER 4 HA SER 4 -1.629 5.926 -7.186
26 1HB SER 4 2HB SER 4 0.892 4.635 -6.149
27 2HB SER 4 1HB SER 4 -0.189 3.863 -7.297
28 HG SER 4 HG SER 4 0.812 4.929 -8.768
29 H CYS 5 H CYS 5 -3.001 6.270 -4.959
30 HA CYS 5 HA CYS 5 -3.105 3.771 -3.473
31 1HB CYS 5 2HB CYS 5 -3.937 6.511 -3.014
32 2HB CYS 5 1HB CYS 5 -5.186 5.348 -2.584
33 H GLY 6 H GLY 6 -4.914 5.536 -5.849
34 1HA GLY 6 2HA GLY 6 -7.303 3.977 -5.688
35 2HA GLY 6 1HA GLY 6 -6.872 5.083 -6.981
36 H GLU 7 H GLU 7 -5.158 2.217 -5.835
37 HA GLU 7 HA GLU 7 -5.969 0.619 -8.065
38 1HB GLU 7 2HB GLU 7 -3.634 0.284 -8.915
39 2HB GLU 7 1HB GLU 7 -4.324 1.862 -9.256
40 1HG GLU 7 2HG GLU 7 -3.053 2.278 -6.878
41 2HG GLU 7 1HG GLU 7 -1.994 1.130 -7.689
42 H THR 8 H THR 8 -5.162 -1.560 -7.916
43 HA THR 8 HA THR 8 -5.112 -2.451 -5.214
44 HB THR 8 HB THR 8 -4.806 -4.736 -6.337
45 HG1 THR 8 1HG THR 8 -4.028 -3.484 -8.339
46 1HG2 THR 8 1HG2 THR 8 -7.123 -2.881 -6.730
47 2HG2 THR 8 2HG2 THR 8 -6.978 -4.277 -5.663
48 3HG2 THR 8 3HG2 THR 8 -7.177 -4.512 -7.399
49 H CYS 9 H CYS 9 -3.567 -3.748 -4.183
50 HA CYS 9 HA CYS 9 -0.888 -3.944 -5.275
51 1HB CYS 9 2HB CYS 9 -0.866 -1.727 -4.250
52 2HB CYS 9 1HB CYS 9 -1.509 -2.388 -2.754
53 H PHE 10 H PHE 10 -1.024 -6.132 -5.137
54 HA PHE 10 HA PHE 10 -2.052 -7.528 -2.890
55 1HB PHE 10 2HB PHE 10 -0.516 -8.388 -5.332
56 2HB PHE 10 1HB PHE 10 -0.993 -9.521 -4.079
57 HD1 PHE 10 1HD PHE 10 -2.809 -10.781 -4.623
58 HD2 PHE 10 2HD PHE 10 -2.659 -6.738 -5.944
59 HE1 PHE 10 1HE PHE 10 -5.008 -11.052 -5.691
60 HE2 PHE 10 2HE PHE 10 -4.859 -7.002 -7.014
61 HZ PHE 10 HZ PHE 10 -6.036 -9.161 -6.888
62 H LYS 11 H LYS 11 1.127 -6.413 -3.763
63 HA LYS 11 HA LYS 11 2.286 -7.979 -1.571
64 1HB LYS 11 2HB LYS 11 3.601 -6.541 -3.878
65 2HB LYS 11 1HB LYS 11 4.486 -7.319 -2.571
66 1HG LYS 11 2HG LYS 11 2.606 -8.695 -4.483
67 2HG LYS 11 1HG LYS 11 4.369 -8.734 -4.557
68 1HD LYS 11 2HD LYS 11 4.425 -9.808 -2.346
69 2HD LYS 11 1HD LYS 11 2.661 -9.788 -2.300
70 1HE LYS 11 2HE LYS 11 3.453 -11.979 -2.967
71 2HE LYS 11 1HE LYS 11 2.610 -11.206 -4.309
72 1HZ LYS 11 1HZ LYS 11 4.688 -12.311 -4.977
73 2HZ LYS 11 2HZ LYS 11 5.562 -11.259 -3.981
74 3HZ LYS 11 3HZ LYS 11 4.707 -10.652 -5.308
75 H PHE 12 H PHE 12 4.176 -5.317 -2.421
76 HA PHE 12 HA PHE 12 2.993 -3.483 -0.536
77 1HB PHE 12 2HB PHE 12 4.372 -4.994 0.892
78 2HB PHE 12 1HB PHE 12 5.789 -4.543 -0.052
79 HD1 PHE 12 1HD PHE 12 2.985 -2.482 1.260
80 HD2 PHE 12 2HD PHE 12 7.160 -3.306 1.351
81 HE1 PHE 12 1HE PHE 12 3.331 -0.541 2.728
82 HE2 PHE 12 2HE PHE 12 7.513 -1.365 2.823
83 HZ PHE 12 HZ PHE 12 5.595 0.020 3.514
84 H LYS 13 H LYS 13 2.838 -2.036 -2.209
85 HA LYS 13 HA LYS 13 5.409 -1.005 -3.152
86 1HB LYS 13 2HB LYS 13 4.322 -2.319 -4.937
87 2HB LYS 13 1HB LYS 13 2.933 -1.247 -4.858
88 1HG LYS 13 2HG LYS 13 4.578 -0.827 -6.726
89 2HG LYS 13 1HG LYS 13 4.147 0.567 -5.738
90 1HD LYS 13 2HD LYS 13 6.559 0.478 -6.209
91 2HD LYS 13 1HD LYS 13 6.216 0.355 -4.484
92 1HE LYS 13 2HE LYS 13 6.376 -2.164 -4.791
93 2HE LYS 13 1HE LYS 13 7.060 -1.821 -6.379
94 1HZ LYS 13 1HZ LYS 13 8.450 -1.983 -4.051
95 2HZ LYS 13 2HZ LYS 13 8.302 -0.309 -4.279
96 3HZ LYS 13 3HZ LYS 13 9.007 -1.272 -5.482
97 H CYS 14 H CYS 14 2.174 -0.283 -2.102
98 HA CYS 14 HA CYS 14 2.574 2.543 -2.597
99 1HB CYS 14 2HB CYS 14 0.286 1.053 -1.306
100 2HB CYS 14 1HB CYS 14 0.332 2.800 -1.518
101 H TYR 15 H TYR 15 3.839 3.587 -1.344
102 HA TYR 15 HA TYR 15 3.478 3.533 1.528
103 1HB TYR 15 2HB TYR 15 6.115 3.500 1.670
104 2HB TYR 15 1HB TYR 15 5.203 1.998 1.628
105 HD1 TYR 15 1HD TYR 15 6.569 4.392 -0.928
106 HD2 TYR 15 2HD TYR 15 6.173 0.354 0.363
107 HE1 TYR 15 1HE TYR 15 7.879 3.646 -2.872
108 HE2 TYR 15 2HE TYR 15 7.483 -0.400 -1.577
109 HH TYR 15 HH TYR 15 9.155 1.832 -3.643
110 H THR 16 H THR 16 2.948 5.234 -0.711
111 HA THR 16 HA THR 16 4.757 7.472 -0.619
112 HB THR 16 HB THR 16 2.239 8.131 -1.809
113 HG1 THR 16 1HG THR 16 2.574 6.253 -3.442
114 1HG2 THR 16 1HG2 THR 16 4.790 7.310 -3.193
115 2HG2 THR 16 2HG2 THR 16 4.547 8.893 -2.454
116 3HG2 THR 16 3HG2 THR 16 3.533 8.384 -3.804
117 HA PRO 17 HA PRO 17 2.977 9.856 2.644
118 1HB PRO 17 2HB PRO 17 2.319 11.997 0.672
119 2HB PRO 17 1HB PRO 17 3.208 12.107 2.194
120 1HG PRO 17 2HG PRO 17 4.507 12.165 -0.124
121 2HG PRO 17 1HG PRO 17 5.169 11.276 1.261
122 1HD PRO 17 2HD PRO 17 3.790 10.237 -1.177
123 2HD PRO 17 1HD PRO 17 5.155 9.549 -0.272
124 H ARG 18 H ARG 18 1.129 9.219 3.453
125 HA ARG 18 HA ARG 18 -1.047 8.906 3.876
126 1HB ARG 18 2HB ARG 18 -1.289 11.300 3.386
127 2HB ARG 18 1HB ARG 18 -1.494 10.939 1.682
128 1HG ARG 18 2HG ARG 18 -3.597 11.460 2.971
129 2HG ARG 18 1HG ARG 18 -3.621 9.959 2.046
130 1HD ARG 18 2HD ARG 18 -2.738 8.976 4.352
131 2HD ARG 18 1HD ARG 18 -3.569 10.392 4.987
132 HE ARG 18 HE ARG 18 -4.757 8.029 3.821
133 1HH1 ARG 18 1HH1 ARG 18 -5.265 11.373 4.742
134 2HH1 ARG 18 2HH1 ARG 18 -6.991 11.243 4.752
135 1HH2 ARG 18 1HH2 ARG 18 -7.027 7.849 3.841
136 2HH2 ARG 18 2HH2 ARG 18 -7.999 9.229 4.239
137 H CYS 19 H CYS 19 0.285 7.099 2.246
138 HA CYS 19 HA CYS 19 -1.991 5.849 0.976
139 1HB CYS 19 2HB CYS 19 -0.847 7.245 -0.817
140 2HB CYS 19 1HB CYS 19 0.537 6.168 -0.647
141 H SER 20 H SER 20 -2.010 3.814 1.676
142 HA SER 20 HA SER 20 0.585 2.509 2.165
143 1HB SER 20 2HB SER 20 -1.337 1.417 3.935
144 2HB SER 20 1HB SER 20 0.107 2.347 4.330
145 HG SER 20 HG SER 20 -2.366 3.544 3.583
146 H CYS 21 H CYS 21 0.853 0.545 1.430
147 HA CYS 21 HA CYS 21 -1.215 -0.588 -0.225
148 1HB CYS 21 2HB CYS 21 0.976 -0.713 -1.144
149 2HB CYS 21 1HB CYS 21 1.652 -1.393 0.330
150 H SER 22 H SER 22 -2.821 -1.218 1.143
151 HA SER 22 HA SER 22 -2.178 -3.193 3.210
152 1HB SER 22 2HB SER 22 -3.668 -1.244 3.794
153 2HB SER 22 1HB SER 22 -4.836 -1.846 2.617
154 HG SER 22 HG SER 22 -5.069 -3.706 3.851
155 H TYR 23 H TYR 23 -1.658 -4.805 1.741
156 HA TYR 23 HA TYR 23 -2.753 -5.646 -0.508
157 1HB TYR 23 2HB TYR 23 -1.884 -7.786 -0.148
158 2HB TYR 23 1HB TYR 23 -0.893 -6.739 0.858
159 HD1 TYR 23 1HD TYR 23 -0.979 -6.899 3.275
160 HD2 TYR 23 2HD TYR 23 -3.447 -9.363 0.832
161 HE1 TYR 23 1HE TYR 23 -1.446 -8.338 5.214
162 HE2 TYR 23 2HE TYR 23 -3.924 -10.809 2.770
163 HH TYR 23 HH TYR 23 -3.868 -10.288 5.513
164 HA PRO 24 HA PRO 24 -3.344 -6.415 -1.763
165 1HB PRO 24 2HB PRO 24 -5.065 -7.248 -3.611
166 2HB PRO 24 1HB PRO 24 -4.365 -8.379 -2.455
167 1HG PRO 24 2HG PRO 24 -7.121 -7.337 -2.619
168 2HG PRO 24 1HG PRO 24 -6.522 -8.813 -1.845
169 1HD PRO 24 2HD PRO 24 -7.067 -6.217 -0.642
170 2HD PRO 24 1HD PRO 24 -6.653 -7.749 0.158
171 H VAL 25 H VAL 25 -4.696 -3.981 -0.641
172 HA VAL 25 HA VAL 25 -5.033 -2.572 -3.188
173 HB VAL 25 HB VAL 25 -7.096 -2.079 -1.058
174 1HG1 VAL 25 1HG1 VAL 25 -6.998 -0.286 -2.531
175 2HG1 VAL 25 2HG1 VAL 25 -8.346 -1.252 -3.135
176 3HG1 VAL 25 3HG1 VAL 25 -6.777 -1.329 -3.936
177 1HG2 VAL 25 1HG2 VAL 25 -8.276 -3.447 -3.270
178 2HG2 VAL 25 2HG2 VAL 25 -8.301 -3.876 -1.560
179 3HG2 VAL 25 3HG2 VAL 25 -6.989 -4.445 -2.592
180 H CYS 26 H CYS 26 -4.515 -0.389 -3.071
181 HA CYS 26 HA CYS 26 -3.049 0.421 -0.724
182 1HB CYS 26 2HB CYS 26 -3.557 1.808 -3.361
183 2HB CYS 26 1HB CYS 26 -2.422 2.326 -2.130
184 H LYS 27 H LYS 27 -3.702 1.934 0.759
185 HA LYS 27 HA LYS 27 -5.987 3.628 0.191
186 1HB LYS 27 2HB LYS 27 -6.875 1.414 1.050
187 2HB LYS 27 1HB LYS 27 -6.074 1.776 2.574
188 1HG LYS 27 2HG LYS 27 -7.418 3.791 2.815
189 2HG LYS 27 1HG LYS 27 -8.210 3.450 1.275
190 1HD LYS 27 2HD LYS 27 -8.979 1.279 2.245
191 2HD LYS 27 1HD LYS 27 -8.340 1.816 3.801
192 1HE LYS 27 2HE LYS 27 -10.741 2.248 3.621
193 2HE LYS 27 1HE LYS 27 -9.820 3.746 3.760
194 1HZ LYS 27 1HZ LYS 27 -10.154 4.249 1.531
195 2HZ LYS 27 2HZ LYS 27 -11.654 3.631 2.011
196 3HZ LYS 27 3HZ LYS 27 -10.587 2.666 1.122
Start of MODEL 7
1 1H SER 1 1HT SER 1 3.378 15.991 -6.013
2 2H SER 1 2HT SER 1 3.232 16.018 -4.326
3 3H SER 1 3HT SER 1 1.898 16.394 -5.297
4 HA SER 1 HA SER 1 1.378 14.271 -5.673
5 1HB SER 1 2HB SER 1 4.302 13.517 -5.516
6 2HB SER 1 1HB SER 1 3.000 12.647 -6.330
7 HG SER 1 HG SER 1 4.003 13.742 -7.932
8 H ALA 2 H ALA 2 0.851 12.550 -4.281
9 HA ALA 2 HA ALA 2 2.289 12.045 -1.860
10 1HB ALA 2 1HB ALA 2 -0.388 12.865 -1.064
11 2HB ALA 2 2HB ALA 2 0.563 14.200 -1.715
12 3HB ALA 2 3HB ALA 2 1.175 13.264 -0.350
13 H ILE 3 H ILE 3 -0.966 11.891 -3.288
14 HA ILE 3 HA ILE 3 -1.493 9.306 -2.201
15 HB ILE 3 HB ILE 3 -3.051 10.638 -4.415
16 1HG1 ILE 3 2HG1 ILE 3 -2.764 12.251 -2.574
17 2HG1 ILE 3 1HG1 ILE 3 -4.432 11.702 -2.691
18 1HG2 ILE 3 1HG2 ILE 3 -3.541 8.420 -2.494
19 2HG2 ILE 3 2HG2 ILE 3 -3.982 8.561 -4.196
20 3HG2 ILE 3 3HG2 ILE 3 -4.907 9.430 -2.970
21 1HD1 ILE 3 1HD1 ILE 3 -3.929 10.087 -0.846
22 2HD1 ILE 3 2HD1 ILE 3 -3.863 11.791 -0.393
23 3HD1 ILE 3 3HD1 ILE 3 -2.370 10.890 -0.662
24 H SER 4 H SER 4 0.777 8.844 -3.364
25 HA SER 4 HA SER 4 0.621 8.114 -6.122
26 1HB SER 4 2HB SER 4 2.713 7.351 -4.081
27 2HB SER 4 1HB SER 4 2.888 7.415 -5.828
28 HG SER 4 HG SER 4 3.613 9.280 -4.369
29 H CYS 5 H CYS 5 -1.442 6.855 -5.166
30 HA CYS 5 HA CYS 5 -0.794 4.176 -4.284
31 1HB CYS 5 2HB CYS 5 -3.449 5.458 -4.963
32 2HB CYS 5 1HB CYS 5 -3.233 3.899 -4.190
33 H GLY 6 H GLY 6 -2.795 5.475 -6.897
34 1HA GLY 6 2HA GLY 6 -2.675 4.980 -9.176
35 2HA GLY 6 1HA GLY 6 -1.571 3.666 -8.808
36 H GLU 7 H GLU 7 -2.791 2.027 -7.204
37 HA GLU 7 HA GLU 7 -5.527 1.530 -7.544
38 1HB GLU 7 2HB GLU 7 -5.581 -0.246 -9.171
39 2HB GLU 7 1HB GLU 7 -4.919 1.198 -9.919
40 1HG GLU 7 2HG GLU 7 -2.941 0.241 -10.310
41 2HG GLU 7 1HG GLU 7 -2.918 -0.600 -8.762
42 H THR 8 H THR 8 -5.533 -1.214 -7.680
43 HA THR 8 HA THR 8 -4.987 -1.967 -5.043
44 HB THR 8 HB THR 8 -5.061 -4.327 -6.535
45 HG1 THR 8 1HG THR 8 -5.529 -3.035 -8.416
46 1HG2 THR 8 1HG2 THR 8 -7.582 -2.984 -5.663
47 2HG2 THR 8 2HG2 THR 8 -6.371 -3.403 -4.451
48 3HG2 THR 8 3HG2 THR 8 -7.076 -4.662 -5.464
49 H CYS 9 H CYS 9 -3.467 -3.524 -4.228
50 HA CYS 9 HA CYS 9 -1.184 -4.187 -5.850
51 1HB CYS 9 2HB CYS 9 0.427 -3.186 -4.239
52 2HB CYS 9 1HB CYS 9 -0.536 -1.982 -5.088
53 H PHE 10 H PHE 10 -1.293 -6.280 -5.518
54 HA PHE 10 HA PHE 10 -2.031 -7.457 -3.017
55 1HB PHE 10 2HB PHE 10 -1.113 -8.586 -5.656
56 2HB PHE 10 1HB PHE 10 -1.428 -9.602 -4.262
57 HD1 PHE 10 1HD PHE 10 -3.394 -10.743 -4.478
58 HD2 PHE 10 2HD PHE 10 -3.214 -6.711 -5.831
59 HE1 PHE 10 1HE PHE 10 -5.776 -10.842 -5.085
60 HE2 PHE 10 2HE PHE 10 -5.596 -6.804 -6.437
61 HZ PHE 10 HZ PHE 10 -6.880 -8.872 -6.064
62 H LYS 11 H LYS 11 0.078 -5.942 -2.373
63 HA LYS 11 HA LYS 11 1.850 -7.699 -1.122
64 1HB LYS 11 2HB LYS 11 2.671 -7.891 -3.543
65 2HB LYS 11 1HB LYS 11 3.226 -6.231 -3.377
66 1HG LYS 11 2HG LYS 11 4.758 -6.835 -1.652
67 2HG LYS 11 1HG LYS 11 4.087 -8.463 -1.551
68 1HD LYS 11 2HD LYS 11 6.173 -8.524 -2.768
69 2HD LYS 11 1HD LYS 11 4.842 -8.882 -3.867
70 1HE LYS 11 2HE LYS 11 4.893 -6.576 -4.679
71 2HE LYS 11 1HE LYS 11 6.216 -6.213 -3.573
72 1HZ LYS 11 1HZ LYS 11 6.318 -7.393 -6.148
73 2HZ LYS 11 2HZ LYS 11 7.012 -8.432 -5.008
74 3HZ LYS 11 3HZ LYS 11 7.591 -6.850 -5.173
75 H PHE 12 H PHE 12 3.657 -5.093 -2.276
76 HA PHE 12 HA PHE 12 2.624 -3.141 -0.406
77 1HB PHE 12 2HB PHE 12 4.184 -4.620 0.920
78 2HB PHE 12 1HB PHE 12 5.485 -4.093 -0.140
79 HD1 PHE 12 1HD PHE 12 2.688 -2.232 1.477
80 HD2 PHE 12 2HD PHE 12 6.894 -2.732 1.068
81 HE1 PHE 12 1HE PHE 12 3.056 -0.266 2.910
82 HE2 PHE 12 2HE PHE 12 7.271 -0.768 2.501
83 HZ PHE 12 HZ PHE 12 5.350 0.468 3.423
84 H LYS 13 H LYS 13 2.317 -2.499 -2.775
85 HA LYS 13 HA LYS 13 4.724 -1.441 -3.996
86 1HB LYS 13 2HB LYS 13 3.103 -2.572 -5.439
87 2HB LYS 13 1HB LYS 13 1.871 -1.400 -4.987
88 1HG LYS 13 2HG LYS 13 2.773 -0.864 -7.164
89 2HG LYS 13 1HG LYS 13 3.219 0.387 -6.001
90 1HD LYS 13 2HD LYS 13 5.373 -1.105 -5.728
91 2HD LYS 13 1HD LYS 13 4.920 -1.662 -7.340
92 1HE LYS 13 2HE LYS 13 6.434 0.153 -7.619
93 2HE LYS 13 1HE LYS 13 4.828 0.743 -8.043
94 1HZ LYS 13 1HZ LYS 13 4.893 1.366 -5.464
95 2HZ LYS 13 2HZ LYS 13 5.437 2.415 -6.676
96 3HZ LYS 13 3HZ LYS 13 6.550 1.475 -5.809
97 H CYS 14 H CYS 14 1.872 -0.272 -2.364
98 HA CYS 14 HA CYS 14 2.521 2.490 -2.966
99 1HB CYS 14 2HB CYS 14 0.356 1.426 -1.145
100 2HB CYS 14 1HB CYS 14 0.457 3.035 -1.858
101 H TYR 15 H TYR 15 3.766 3.701 -1.754
102 HA TYR 15 HA TYR 15 3.918 3.424 1.106
103 1HB TYR 15 2HB TYR 15 6.548 3.306 0.840
104 2HB TYR 15 1HB TYR 15 5.580 1.838 0.865
105 HD1 TYR 15 1HD TYR 15 6.368 0.246 -0.589
106 HD2 TYR 15 2HD TYR 15 6.526 4.328 -1.784
107 HE1 TYR 15 1HE TYR 15 7.300 -0.430 -2.763
108 HE2 TYR 15 2HE TYR 15 7.455 3.662 -3.959
109 HH TYR 15 HH TYR 15 8.854 0.903 -4.605
110 H THR 16 H THR 16 2.893 5.495 0.120
111 HA THR 16 HA THR 16 4.944 7.593 0.239
112 HB THR 16 HB THR 16 2.598 7.693 -1.676
113 HG1 THR 16 1HG THR 16 5.101 6.501 -1.921
114 1HG2 THR 16 1HG2 THR 16 3.578 9.863 -1.029
115 2HG2 THR 16 2HG2 THR 16 3.853 9.498 -2.732
116 3HG2 THR 16 3HG2 THR 16 5.160 9.295 -1.566
117 HA PRO 17 HA PRO 17 2.596 9.371 3.543
118 1HB PRO 17 2HB PRO 17 2.651 11.790 1.770
119 2HB PRO 17 1HB PRO 17 2.924 11.673 3.513
120 1HG PRO 17 2HG PRO 17 4.974 11.833 1.805
121 2HG PRO 17 1HG PRO 17 5.059 10.825 3.261
122 1HD PRO 17 2HD PRO 17 4.862 10.018 0.433
123 2HD PRO 17 1HD PRO 17 5.446 9.097 1.831
124 H ARG 18 H ARG 18 0.564 9.022 3.924
125 HA ARG 18 HA ARG 18 -1.683 9.062 3.917
126 1HB ARG 18 2HB ARG 18 -1.302 11.451 3.168
127 2HB ARG 18 1HB ARG 18 -1.560 10.882 1.531
128 1HG ARG 18 2HG ARG 18 -3.595 11.845 2.358
129 2HG ARG 18 1HG ARG 18 -3.815 10.100 2.206
130 1HD ARG 18 2HD ARG 18 -4.771 10.860 4.292
131 2HD ARG 18 1HD ARG 18 -3.355 9.862 4.618
132 HE ARG 18 HE ARG 18 -2.564 12.554 4.512
133 1HH1 ARG 18 1HH1 ARG 18 -4.416 10.386 6.538
134 2HH1 ARG 18 2HH1 ARG 18 -4.122 11.278 7.993
135 1HH2 ARG 18 1HH2 ARG 18 -2.167 13.743 6.432
136 2HH2 ARG 18 2HH2 ARG 18 -2.837 13.194 7.932
137 H CYS 19 H CYS 19 -0.008 7.250 2.234
138 HA CYS 19 HA CYS 19 -2.204 5.941 0.888
139 1HB CYS 19 2HB CYS 19 -1.312 7.363 -0.911
140 2HB CYS 19 1HB CYS 19 0.301 6.714 -0.636
141 H SER 20 H SER 20 -2.097 3.880 1.553
142 HA SER 20 HA SER 20 0.567 2.696 1.949
143 1HB SER 20 2HB SER 20 -0.961 1.418 3.823
144 2HB SER 20 1HB SER 20 0.137 2.757 4.143
145 HG SER 20 HG SER 20 -2.493 3.318 3.305
146 H CYS 21 H CYS 21 0.869 0.642 1.396
147 HA CYS 21 HA CYS 21 -1.257 -0.586 -0.172
148 1HB CYS 21 2HB CYS 21 0.985 -0.396 -1.187
149 2HB CYS 21 1HB CYS 21 1.648 -1.413 0.087
150 H SER 22 H SER 22 -2.593 -1.279 1.475
151 HA SER 22 HA SER 22 -1.587 -3.226 3.379
152 1HB SER 22 2HB SER 22 -4.333 -1.984 3.034
153 2HB SER 22 1HB SER 22 -3.811 -2.990 4.372
154 HG SER 22 HG SER 22 -3.249 -0.333 3.827
155 H TYR 23 H TYR 23 -1.101 -4.654 1.580
156 HA TYR 23 HA TYR 23 -2.625 -5.548 -0.412
157 1HB TYR 23 2HB TYR 23 -1.354 -7.508 -0.503
158 2HB TYR 23 1HB TYR 23 -0.306 -6.347 0.295
159 HD1 TYR 23 1HD TYR 23 -2.360 -9.360 0.748
160 HD2 TYR 23 2HD TYR 23 0.386 -6.672 2.579
161 HE1 TYR 23 1HE TYR 23 -2.033 -10.957 2.593
162 HE2 TYR 23 2HE TYR 23 0.718 -8.260 4.428
163 HH TYR 23 HH TYR 23 -1.253 -10.632 5.190
164 HA PRO 24 HA PRO 24 -3.377 -6.497 -1.560
165 1HB PRO 24 2HB PRO 24 -5.430 -7.470 -2.931
166 2HB PRO 24 1HB PRO 24 -4.324 -8.550 -2.083
167 1HG PRO 24 2HG PRO 24 -7.104 -7.784 -1.397
168 2HG PRO 24 1HG PRO 24 -6.220 -9.269 -1.015
169 1HD PRO 24 2HD PRO 24 -6.611 -6.953 0.651
170 2HD PRO 24 1HD PRO 24 -5.732 -8.447 1.040
171 H VAL 25 H VAL 25 -4.402 -4.267 -0.042
172 HA VAL 25 HA VAL 25 -6.007 -2.965 -2.149
173 HB VAL 25 HB VAL 25 -6.478 -2.415 0.777
174 1HG1 VAL 25 1HG1 VAL 25 -8.276 -1.120 0.125
175 2HG1 VAL 25 2HG1 VAL 25 -8.414 -1.917 -1.441
176 3HG1 VAL 25 3HG1 VAL 25 -7.091 -0.791 -1.139
177 1HG2 VAL 25 1HG2 VAL 25 -7.553 -4.602 -0.876
178 2HG2 VAL 25 2HG2 VAL 25 -8.744 -3.688 0.049
179 3HG2 VAL 25 3HG2 VAL 25 -7.398 -4.473 0.876
180 H CYS 26 H CYS 26 -5.588 -0.741 -2.390
181 HA CYS 26 HA CYS 26 -3.274 0.241 -0.862
182 1HB CYS 26 2HB CYS 26 -2.540 -0.265 -3.115
183 2HB CYS 26 1HB CYS 26 -3.892 0.632 -3.793
184 H LYS 27 H LYS 27 -3.891 1.839 0.413
185 HA LYS 27 HA LYS 27 -5.319 4.079 -0.698
186 1HB LYS 27 2HB LYS 27 -7.174 2.625 0.073
187 2HB LYS 27 1HB LYS 27 -6.480 2.624 1.690
188 1HG LYS 27 2HG LYS 27 -8.313 4.211 1.531
189 2HG LYS 27 1HG LYS 27 -6.784 5.044 1.830
190 1HD LYS 27 2HD LYS 27 -6.826 5.057 -0.871
191 2HD LYS 27 1HD LYS 27 -8.555 5.114 -0.529
192 1HE LYS 27 2HE LYS 27 -7.782 7.362 -0.700
193 2HE LYS 27 1HE LYS 27 -8.104 7.040 1.002
194 1HZ LYS 27 1HZ LYS 27 -6.060 7.857 1.314
195 2HZ LYS 27 2HZ LYS 27 -5.616 7.677 -0.304
196 3HZ LYS 27 3HZ LYS 27 -5.491 6.363 0.756
Start of MODEL 8
1 1H SER 1 1HT SER 1 4.917 10.981 -4.483
2 2H SER 1 2HT SER 1 6.444 11.613 -4.127
3 3H SER 1 3HT SER 1 6.163 10.876 -5.625
4 HA SER 1 HA SER 1 6.053 13.524 -5.147
5 1HB SER 1 2HB SER 1 4.478 12.119 -7.303
6 2HB SER 1 1HB SER 1 5.413 13.613 -7.423
7 HG SER 1 HG SER 1 6.789 12.177 -8.249
8 H ALA 2 H ALA 2 3.224 11.365 -5.427
9 HA ALA 2 HA ALA 2 1.666 13.124 -3.750
10 1HB ALA 2 1HB ALA 2 1.505 13.434 -6.546
11 2HB ALA 2 2HB ALA 2 0.446 14.133 -5.320
12 3HB ALA 2 3HB ALA 2 0.041 12.580 -6.054
13 H ILE 3 H ILE 3 -0.697 12.104 -3.708
14 HA ILE 3 HA ILE 3 -0.353 9.395 -2.886
15 HB ILE 3 HB ILE 3 -3.002 10.808 -3.127
16 1HG1 ILE 3 2HG1 ILE 3 -1.072 10.982 -0.799
17 2HG1 ILE 3 1HG1 ILE 3 -1.335 12.272 -1.969
18 1HG2 ILE 3 1HG2 ILE 3 -3.648 8.813 -2.327
19 2HG2 ILE 3 2HG2 ILE 3 -2.971 9.364 -0.795
20 3HG2 ILE 3 3HG2 ILE 3 -2.005 8.361 -1.875
21 1HD1 ILE 3 1HD1 ILE 3 -2.836 11.595 0.384
22 2HD1 ILE 3 2HD1 ILE 3 -3.874 11.602 -1.042
23 3HD1 ILE 3 3HD1 ILE 3 -2.925 13.032 -0.634
24 H SER 4 H SER 4 0.338 9.218 -5.388
25 HA SER 4 HA SER 4 -1.822 8.696 -7.197
26 1HB SER 4 2HB SER 4 1.122 8.057 -7.457
27 2HB SER 4 1HB SER 4 -0.056 8.180 -8.753
28 HG SER 4 HG SER 4 -0.179 10.356 -8.460
29 H CYS 5 H CYS 5 -2.460 7.139 -5.181
30 HA CYS 5 HA CYS 5 -1.440 4.469 -5.779
31 1HB CYS 5 2HB CYS 5 -2.915 5.441 -3.330
32 2HB CYS 5 1HB CYS 5 -2.113 3.894 -3.538
33 H GLY 6 H GLY 6 -4.150 4.280 -3.925
34 1HA GLY 6 2HA GLY 6 -6.384 3.827 -4.297
35 2HA GLY 6 1HA GLY 6 -6.204 4.509 -5.905
36 H GLU 7 H GLU 7 -4.147 2.768 -6.787
37 HA GLU 7 HA GLU 7 -5.571 0.707 -7.971
38 1HB GLU 7 2HB GLU 7 -3.358 -0.156 -8.646
39 2HB GLU 7 1HB GLU 7 -3.498 1.584 -8.879
40 1HG GLU 7 2HG GLU 7 -2.260 1.978 -6.830
41 2HG GLU 7 1HG GLU 7 -2.155 0.247 -6.538
42 H THR 8 H THR 8 -4.731 -1.616 -7.936
43 HA THR 8 HA THR 8 -5.229 -2.730 -5.316
44 HB THR 8 HB THR 8 -4.886 -4.928 -6.631
45 HG1 THR 8 1HG THR 8 -3.851 -3.656 -8.419
46 1HG2 THR 8 1HG2 THR 8 -7.122 -3.072 -7.462
47 2HG2 THR 8 2HG2 THR 8 -7.088 -4.025 -5.979
48 3HG2 THR 8 3HG2 THR 8 -7.141 -4.834 -7.545
49 H CYS 9 H CYS 9 -3.726 -4.025 -4.148
50 HA CYS 9 HA CYS 9 -1.038 -4.258 -5.196
51 1HB CYS 9 2HB CYS 9 -1.063 -2.012 -4.238
52 2HB CYS 9 1HB CYS 9 -1.644 -2.658 -2.708
53 H PHE 10 H PHE 10 -1.052 -6.423 -4.971
54 HA PHE 10 HA PHE 10 -1.903 -7.678 -2.509
55 1HB PHE 10 2HB PHE 10 -0.805 -8.787 -5.097
56 2HB PHE 10 1HB PHE 10 -1.275 -9.778 -3.732
57 HD1 PHE 10 1HD PHE 10 -2.799 -6.958 -5.666
58 HD2 PHE 10 2HD PHE 10 -3.274 -10.843 -3.993
59 HE1 PHE 10 1HE PHE 10 -5.101 -7.041 -6.525
60 HE2 PHE 10 2HE PHE 10 -5.578 -10.932 -4.850
61 HZ PHE 10 HZ PHE 10 -6.495 -9.030 -6.118
62 H LYS 11 H LYS 11 0.639 -5.945 -2.795
63 HA LYS 11 HA LYS 11 2.359 -7.757 -1.286
64 1HB LYS 11 2HB LYS 11 3.291 -6.249 -3.740
65 2HB LYS 11 1HB LYS 11 4.376 -6.985 -2.572
66 1HG LYS 11 2HG LYS 11 2.374 -8.438 -4.292
67 2HG LYS 11 1HG LYS 11 4.119 -8.376 -4.547
68 1HD LYS 11 2HD LYS 11 2.729 -9.567 -2.146
69 2HD LYS 11 1HD LYS 11 3.421 -10.477 -3.488
70 1HE LYS 11 2HE LYS 11 5.636 -9.641 -2.937
71 2HE LYS 11 1HE LYS 11 4.960 -8.659 -1.636
72 1HZ LYS 11 1HZ LYS 11 4.062 -10.960 -0.840
73 2HZ LYS 11 2HZ LYS 11 5.650 -10.496 -0.490
74 3HZ LYS 11 3HZ LYS 11 5.344 -11.566 -1.764
75 H PHE 12 H PHE 12 3.963 -5.035 -2.463
76 HA PHE 12 HA PHE 12 3.071 -3.187 -0.426
77 1HB PHE 12 2HB PHE 12 4.773 -4.656 0.715
78 2HB PHE 12 1HB PHE 12 5.962 -4.095 -0.455
79 HD1 PHE 12 1HD PHE 12 7.474 -2.810 0.728
80 HD2 PHE 12 2HD PHE 12 3.308 -2.225 1.371
81 HE1 PHE 12 1HE PHE 12 7.971 -0.873 2.161
82 HE2 PHE 12 2HE PHE 12 3.798 -0.285 2.804
83 HZ PHE 12 HZ PHE 12 6.132 0.392 3.200
84 H LYS 13 H LYS 13 2.524 -2.480 -2.690
85 HA LYS 13 HA LYS 13 4.707 -1.387 -4.225
86 1HB LYS 13 2HB LYS 13 3.147 -2.301 -5.648
87 2HB LYS 13 1HB LYS 13 1.795 -1.823 -4.639
88 1HG LYS 13 2HG LYS 13 1.568 -0.532 -6.555
89 2HG LYS 13 1HG LYS 13 2.309 0.564 -5.389
90 1HD LYS 13 2HD LYS 13 4.492 0.182 -6.397
91 2HD LYS 13 1HD LYS 13 3.780 -0.964 -7.536
92 1HE LYS 13 2HE LYS 13 3.131 1.975 -7.321
93 2HE LYS 13 1HE LYS 13 4.103 1.218 -8.580
94 1HZ LYS 13 1HZ LYS 13 1.689 -0.148 -8.514
95 2HZ LYS 13 2HZ LYS 13 2.227 0.917 -9.706
96 3HZ LYS 13 3HZ LYS 13 1.282 1.492 -8.424
97 H CYS 14 H CYS 14 1.826 -0.086 -2.627
98 HA CYS 14 HA CYS 14 2.781 2.608 -3.081
99 1HB CYS 14 2HB CYS 14 0.309 1.695 -1.615
100 2HB CYS 14 1HB CYS 14 0.644 3.316 -2.224
101 H TYR 15 H TYR 15 3.829 3.818 -1.691
102 HA TYR 15 HA TYR 15 3.587 3.442 1.158
103 1HB TYR 15 2HB TYR 15 6.175 3.373 1.336
104 2HB TYR 15 1HB TYR 15 5.312 1.885 0.974
105 HD1 TYR 15 1HD TYR 15 6.615 4.752 -1.077
106 HD2 TYR 15 2HD TYR 15 6.449 0.540 -0.487
107 HE1 TYR 15 1HE TYR 15 8.002 4.422 -3.080
108 HE2 TYR 15 2HE TYR 15 7.837 0.200 -2.488
109 HH TYR 15 HH TYR 15 8.766 1.173 -4.272
110 H THR 16 H THR 16 2.947 5.484 -0.739
111 HA THR 16 HA THR 16 4.846 7.637 -0.204
112 HB THR 16 HB THR 16 2.296 7.629 -1.864
113 HG1 THR 16 1HG THR 16 4.633 6.565 -2.385
114 1HG2 THR 16 1HG2 THR 16 2.712 9.789 -2.498
115 2HG2 THR 16 2HG2 THR 16 4.447 9.657 -2.208
116 3HG2 THR 16 3HG2 THR 16 3.339 9.847 -0.849
117 HA PRO 17 HA PRO 17 2.901 9.144 3.490
118 1HB PRO 17 2HB PRO 17 2.655 11.829 2.491
119 2HB PRO 17 1HB PRO 17 3.826 11.194 3.647
120 1HG PRO 17 2HG PRO 17 4.107 11.658 0.748
121 2HG PRO 17 1HG PRO 17 5.357 11.569 2.002
122 1HD PRO 17 2HD PRO 17 5.031 9.616 0.182
123 2HD PRO 17 1HD PRO 17 5.510 9.259 1.856
124 H ARG 18 H ARG 18 0.883 9.044 4.118
125 HA ARG 18 HA ARG 18 -1.364 9.215 4.270
126 1HB ARG 18 2HB ARG 18 -1.054 11.554 3.520
127 2HB ARG 18 1HB ARG 18 -1.174 11.018 1.856
128 1HG ARG 18 2HG ARG 18 -3.255 12.023 2.632
129 2HG ARG 18 1HG ARG 18 -3.477 10.323 2.225
130 1HD ARG 18 2HD ARG 18 -4.647 10.809 4.273
131 2HD ARG 18 1HD ARG 18 -3.274 9.761 4.623
132 HE ARG 18 HE ARG 18 -2.472 12.424 4.962
133 1HH1 ARG 18 1HH1 ARG 18 -4.596 10.074 6.439
134 2HH1 ARG 18 2HH1 ARG 18 -4.485 10.768 8.023
135 1HH2 ARG 18 1HH2 ARG 18 -2.315 13.355 7.056
136 2HH2 ARG 18 2HH2 ARG 18 -3.182 12.642 8.375
137 H CYS 19 H CYS 19 0.160 7.317 2.560
138 HA CYS 19 HA CYS 19 -2.118 6.007 1.375
139 1HB CYS 19 2HB CYS 19 -1.491 7.087 -0.597
140 2HB CYS 19 1HB CYS 19 0.224 7.006 -0.215
141 H SER 20 H SER 20 -1.913 3.792 1.403
142 HA SER 20 HA SER 20 0.698 2.623 1.892
143 1HB SER 20 2HB SER 20 -0.683 1.300 3.818
144 2HB SER 20 1HB SER 20 0.398 2.656 4.111
145 HG SER 20 HG SER 20 -2.146 3.409 3.401
146 H CYS 21 H CYS 21 0.930 0.620 1.210
147 HA CYS 21 HA CYS 21 -1.229 -0.474 -0.361
148 1HB CYS 21 2HB CYS 21 0.818 -0.736 -1.461
149 2HB CYS 21 1HB CYS 21 1.674 -1.224 -0.007
150 H SER 22 H SER 22 -2.773 -1.088 1.066
151 HA SER 22 HA SER 22 -2.061 -2.996 3.161
152 1HB SER 22 2HB SER 22 -3.554 -1.073 3.747
153 2HB SER 22 1HB SER 22 -4.727 -1.663 2.570
154 HG SER 22 HG SER 22 -4.996 -3.512 3.805
155 H TYR 23 H TYR 23 -1.612 -4.757 1.893
156 HA TYR 23 HA TYR 23 -2.778 -5.647 -0.347
157 1HB TYR 23 2HB TYR 23 -1.916 -7.790 0.069
158 2HB TYR 23 1HB TYR 23 -0.856 -6.703 0.954
159 HD1 TYR 23 1HD TYR 23 -0.717 -6.793 3.353
160 HD2 TYR 23 2HD TYR 23 -3.490 -9.247 1.254
161 HE1 TYR 23 1HE TYR 23 -1.060 -8.133 5.386
162 HE2 TYR 23 2HE TYR 23 -3.843 -10.592 3.287
163 HH TYR 23 HH TYR 23 -3.549 -10.032 5.939
164 HA PRO 24 HA PRO 24 -3.444 -6.527 -1.538
165 1HB PRO 24 2HB PRO 24 -5.255 -7.441 -3.234
166 2HB PRO 24 1HB PRO 24 -4.567 -8.504 -2.007
167 1HG PRO 24 2HG PRO 24 -7.269 -7.292 -2.147
168 2HG PRO 24 1HG PRO 24 -6.748 -8.790 -1.359
169 1HD PRO 24 2HD PRO 24 -7.101 -6.171 -0.183
170 2HD PRO 24 1HD PRO 24 -6.653 -7.689 0.623
171 H VAL 25 H VAL 25 -4.689 -3.956 -0.545
172 HA VAL 25 HA VAL 25 -5.111 -2.784 -3.198
173 HB VAL 25 HB VAL 25 -7.065 -1.978 -1.076
174 1HG1 VAL 25 1HG1 VAL 25 -8.353 -1.682 -3.395
175 2HG1 VAL 25 2HG1 VAL 25 -6.690 -1.546 -3.967
176 3HG1 VAL 25 3HG1 VAL 25 -7.286 -0.454 -2.716
177 1HG2 VAL 25 1HG2 VAL 25 -8.027 -4.001 -1.109
178 2HG2 VAL 25 2HG2 VAL 25 -7.131 -4.508 -2.541
179 3HG2 VAL 25 3HG2 VAL 25 -8.595 -3.542 -2.714
180 H CYS 26 H CYS 26 -4.471 -0.675 -3.353
181 HA CYS 26 HA CYS 26 -2.984 0.421 -1.133
182 1HB CYS 26 2HB CYS 26 -3.416 1.218 -4.006
183 2HB CYS 26 1HB CYS 26 -2.567 2.246 -2.871
184 H LYS 27 H LYS 27 -3.791 1.917 0.240
185 HA LYS 27 HA LYS 27 -5.901 3.705 -0.633
186 1HB LYS 27 2HB LYS 27 -6.175 1.665 1.556
187 2HB LYS 27 1HB LYS 27 -7.057 3.178 1.630
188 1HG LYS 27 2HG LYS 27 -7.225 1.170 -0.606
189 2HG LYS 27 1HG LYS 27 -8.407 1.368 0.689
190 1HD LYS 27 2HD LYS 27 -9.075 3.480 -0.092
191 2HD LYS 27 1HD LYS 27 -7.643 3.649 -1.110
192 1HE LYS 27 2HE LYS 27 -9.849 1.636 -1.533
193 2HE LYS 27 1HE LYS 27 -9.688 3.161 -2.404
194 1HZ LYS 27 1HZ LYS 27 -8.399 2.090 -3.841
195 2HZ LYS 27 2HZ LYS 27 -8.407 0.686 -2.901
196 3HZ LYS 27 3HZ LYS 27 -7.242 1.881 -2.620
Start of MODEL 9
1 1H SER 1 1HT SER 1 8.690 8.955 -6.952
2 2H SER 1 2HT SER 1 7.022 9.048 -7.229
3 3H SER 1 3HT SER 1 7.607 8.314 -5.821
4 HA SER 1 HA SER 1 7.904 10.233 -4.753
5 1HB SER 1 2HB SER 1 8.549 11.638 -7.345
6 2HB SER 1 1HB SER 1 9.078 12.055 -5.713
7 HG SER 1 HG SER 1 10.794 11.035 -6.608
8 H ALA 2 H ALA 2 5.407 9.435 -5.389
9 HA ALA 2 HA ALA 2 3.914 11.856 -5.363
10 1HB ALA 2 1HB ALA 2 2.699 11.683 -7.391
11 2HB ALA 2 2HB ALA 2 3.382 10.097 -7.751
12 3HB ALA 2 3HB ALA 2 4.399 11.535 -7.834
13 H ILE 3 H ILE 3 1.871 11.498 -4.516
14 HA ILE 3 HA ILE 3 1.434 8.963 -3.283
15 HB ILE 3 HB ILE 3 -0.565 11.214 -3.335
16 1HG1 ILE 3 2HG1 ILE 3 1.811 10.954 -1.474
17 2HG1 ILE 3 1HG1 ILE 3 1.690 12.121 -2.786
18 1HG2 ILE 3 1HG2 ILE 3 -1.336 9.161 -2.319
19 2HG2 ILE 3 2HG2 ILE 3 -1.066 10.367 -1.059
20 3HG2 ILE 3 3HG2 ILE 3 0.110 9.077 -1.313
21 1HD1 ILE 3 1HD1 ILE 3 0.026 11.989 -0.289
22 2HD1 ILE 3 2HD1 ILE 3 -0.343 13.040 -1.656
23 3HD1 ILE 3 3HD1 ILE 3 1.167 13.245 -0.767
24 H SER 4 H SER 4 1.452 8.516 -5.955
25 HA SER 4 HA SER 4 -1.238 8.470 -7.003
26 1HB SER 4 2HB SER 4 0.728 8.824 -8.479
27 2HB SER 4 1HB SER 4 1.282 7.194 -8.102
28 HG SER 4 HG SER 4 -0.602 6.389 -9.069
29 H CYS 5 H CYS 5 -2.633 7.008 -6.237
30 HA CYS 5 HA CYS 5 -1.753 4.263 -5.987
31 1HB CYS 5 2HB CYS 5 -3.267 5.848 -3.902
32 2HB CYS 5 1HB CYS 5 -3.064 4.109 -3.877
33 H GLY 6 H GLY 6 -4.712 4.568 -4.623
34 1HA GLY 6 2HA GLY 6 -6.847 4.034 -5.304
35 2HA GLY 6 1HA GLY 6 -6.503 5.028 -6.714
36 H GLU 7 H GLU 7 -4.927 2.054 -5.684
37 HA GLU 7 HA GLU 7 -6.110 0.551 -7.883
38 1HB GLU 7 2HB GLU 7 -3.789 -0.175 -8.581
39 2HB GLU 7 1HB GLU 7 -4.188 1.498 -8.961
40 1HG GLU 7 2HG GLU 7 -2.949 2.270 -7.046
41 2HG GLU 7 1HG GLU 7 -2.629 0.617 -6.543
42 H THR 8 H THR 8 -4.903 -1.695 -7.870
43 HA THR 8 HA THR 8 -5.250 -2.762 -5.192
44 HB THR 8 HB THR 8 -4.837 -4.980 -6.424
45 HG1 THR 8 1HG THR 8 -3.944 -3.623 -8.302
46 1HG2 THR 8 1HG2 THR 8 -7.059 -4.941 -6.145
47 2HG2 THR 8 2HG2 THR 8 -7.154 -4.352 -7.805
48 3HG2 THR 8 3HG2 THR 8 -7.145 -3.209 -6.463
49 H CYS 9 H CYS 9 -3.616 -4.005 -4.125
50 HA CYS 9 HA CYS 9 -0.944 -3.959 -5.248
51 1HB CYS 9 2HB CYS 9 -1.171 -1.762 -4.187
52 2HB CYS 9 1HB CYS 9 -1.625 -2.534 -2.674
53 H PHE 10 H PHE 10 -0.813 -6.131 -5.131
54 HA PHE 10 HA PHE 10 -1.458 -7.558 -2.702
55 1HB PHE 10 2HB PHE 10 -0.388 -8.468 -5.380
56 2HB PHE 10 1HB PHE 10 -0.756 -9.547 -4.051
57 HD1 PHE 10 1HD PHE 10 -2.733 -10.677 -4.205
58 HD2 PHE 10 2HD PHE 10 -2.466 -6.786 -5.910
59 HE1 PHE 10 1HE PHE 10 -5.047 -10.875 -5.014
60 HE2 PHE 10 2HE PHE 10 -4.783 -6.975 -6.715
61 HZ PHE 10 HZ PHE 10 -6.076 -9.022 -6.268
62 H LYS 11 H LYS 11 0.586 -5.761 -2.167
63 HA LYS 11 HA LYS 11 2.586 -7.437 -1.097
64 1HB LYS 11 2HB LYS 11 3.091 -7.168 -3.702
65 2HB LYS 11 1HB LYS 11 3.830 -5.670 -3.153
66 1HG LYS 11 2HG LYS 11 5.308 -6.881 -1.687
67 2HG LYS 11 1HG LYS 11 4.510 -8.403 -2.089
68 1HD LYS 11 2HD LYS 11 5.172 -8.001 -4.479
69 2HD LYS 11 1HD LYS 11 6.147 -6.645 -3.909
70 1HE LYS 11 2HE LYS 11 7.529 -8.620 -4.168
71 2HE LYS 11 1HE LYS 11 7.408 -8.180 -2.465
72 1HZ LYS 11 1HZ LYS 11 6.807 -10.629 -3.634
73 2HZ LYS 11 2HZ LYS 11 5.334 -9.972 -3.123
74 3HZ LYS 11 3HZ LYS 11 6.598 -10.177 -2.017
75 H PHE 12 H PHE 12 4.104 -4.657 -2.195
76 HA PHE 12 HA PHE 12 3.096 -2.856 -0.175
77 1HB PHE 12 2HB PHE 12 5.546 -2.527 0.656
78 2HB PHE 12 1HB PHE 12 4.586 -3.847 1.306
79 HD1 PHE 12 1HD PHE 12 5.747 -5.774 1.638
80 HD2 PHE 12 2HD PHE 12 6.799 -3.325 -1.679
81 HE1 PHE 12 1HE PHE 12 7.517 -7.367 1.028
82 HE2 PHE 12 2HE PHE 12 8.568 -4.917 -2.298
83 HZ PHE 12 HZ PHE 12 8.929 -6.942 -0.944
84 H LYS 13 H LYS 13 2.709 -2.304 -2.625
85 HA LYS 13 HA LYS 13 4.949 -0.958 -3.847
86 1HB LYS 13 2HB LYS 13 3.414 -2.291 -5.217
87 2HB LYS 13 1HB LYS 13 2.080 -1.258 -4.745
88 1HG LYS 13 2HG LYS 13 4.443 -0.120 -6.188
89 2HG LYS 13 1HG LYS 13 3.165 -0.957 -7.067
90 1HD LYS 13 2HD LYS 13 1.536 0.614 -5.929
91 2HD LYS 13 1HD LYS 13 2.938 1.534 -5.386
92 1HE LYS 13 2HE LYS 13 2.250 2.617 -7.343
93 2HE LYS 13 1HE LYS 13 3.613 1.619 -7.850
94 1HZ LYS 13 1HZ LYS 13 1.772 -0.087 -8.406
95 2HZ LYS 13 2HZ LYS 13 2.034 1.203 -9.463
96 3HZ LYS 13 3HZ LYS 13 0.733 1.252 -8.378
97 H CYS 14 H CYS 14 1.835 -0.026 -2.465
98 HA CYS 14 HA CYS 14 2.429 2.767 -2.930
99 1HB CYS 14 2HB CYS 14 0.076 1.484 -1.538
100 2HB CYS 14 1HB CYS 14 0.213 3.187 -1.969
101 H TYR 15 H TYR 15 4.331 2.829 -1.648
102 HA TYR 15 HA TYR 15 3.891 2.786 1.252
103 1HB TYR 15 2HB TYR 15 6.449 2.957 1.293
104 2HB TYR 15 1HB TYR 15 5.756 1.443 0.726
105 HD1 TYR 15 1HD TYR 15 6.766 0.496 -1.104
106 HD2 TYR 15 2HD TYR 15 6.796 4.736 -0.745
107 HE1 TYR 15 1HE TYR 15 8.078 0.659 -3.178
108 HE2 TYR 15 2HE TYR 15 8.105 4.909 -2.818
109 HH TYR 15 HH TYR 15 9.216 2.018 -4.537
110 H THR 16 H THR 16 3.684 4.894 -1.199
111 HA THR 16 HA THR 16 5.155 7.138 -0.299
112 HB THR 16 HB THR 16 2.636 7.241 -1.976
113 HG1 THR 16 1HG THR 16 3.695 6.189 -3.464
114 1HG2 THR 16 1HG2 THR 16 3.685 9.191 -2.969
115 2HG2 THR 16 2HG2 THR 16 5.129 8.949 -1.986
116 3HG2 THR 16 3HG2 THR 16 3.603 9.389 -1.219
117 HA PRO 17 HA PRO 17 2.944 8.430 3.331
118 1HB PRO 17 2HB PRO 17 3.419 11.114 2.095
119 2HB PRO 17 1HB PRO 17 3.673 10.585 3.762
120 1HG PRO 17 2HG PRO 17 5.729 10.814 2.091
121 2HG PRO 17 1HG PRO 17 5.644 9.475 3.250
122 1HD PRO 17 2HD PRO 17 5.221 9.463 0.309
123 2HD PRO 17 1HD PRO 17 5.833 8.179 1.369
124 H ARG 18 H ARG 18 0.900 8.854 3.847
125 HA ARG 18 HA ARG 18 -1.276 9.456 3.774
126 1HB ARG 18 2HB ARG 18 -0.555 11.592 2.798
127 2HB ARG 18 1HB ARG 18 -0.566 10.869 1.203
128 1HG ARG 18 2HG ARG 18 -2.523 12.314 1.673
129 2HG ARG 18 1HG ARG 18 -2.954 10.661 1.242
130 1HD ARG 18 2HD ARG 18 -2.679 11.465 4.117
131 2HD ARG 18 1HD ARG 18 -4.162 11.813 3.228
132 HE ARG 18 HE ARG 18 -3.556 9.128 2.805
133 1HH1 ARG 18 1HH1 ARG 18 -4.456 11.200 5.486
134 2HH1 ARG 18 2HH1 ARG 18 -5.218 9.928 6.381
135 1HH2 ARG 18 1HH2 ARG 18 -4.553 7.448 3.974
136 2HH2 ARG 18 2HH2 ARG 18 -5.269 7.779 5.519
137 H CYS 19 H CYS 19 0.173 7.230 2.185
138 HA CYS 19 HA CYS 19 -2.276 6.028 1.257
139 1HB CYS 19 2HB CYS 19 -1.516 7.093 -0.804
140 2HB CYS 19 1HB CYS 19 0.082 6.374 -0.611
141 H SER 20 H SER 20 -2.242 3.831 1.498
142 HA SER 20 HA SER 20 0.335 2.624 2.208
143 1HB SER 20 2HB SER 20 -1.575 1.389 3.845
144 2HB SER 20 1HB SER 20 -0.279 2.474 4.340
145 HG SER 20 HG SER 20 -2.661 3.573 3.331
146 H CYS 21 H CYS 21 0.688 0.702 1.407
147 HA CYS 21 HA CYS 21 -1.321 -0.462 -0.318
148 1HB CYS 21 2HB CYS 21 0.805 -0.493 -1.321
149 2HB CYS 21 1HB CYS 21 1.611 -1.049 0.138
150 H SER 22 H SER 22 -2.857 -1.128 1.170
151 HA SER 22 HA SER 22 -2.106 -3.098 3.161
152 1HB SER 22 2HB SER 22 -4.770 -1.797 2.507
153 2HB SER 22 1HB SER 22 -4.437 -2.829 3.886
154 HG SER 22 HG SER 22 -3.696 -0.189 3.423
155 H TYR 23 H TYR 23 -1.525 -4.746 1.744
156 HA TYR 23 HA TYR 23 -2.643 -5.598 -0.523
157 1HB TYR 23 2HB TYR 23 -1.639 -7.686 -0.226
158 2HB TYR 23 1HB TYR 23 -0.675 -6.609 0.770
159 HD1 TYR 23 1HD TYR 23 -0.597 -6.874 3.161
160 HD2 TYR 23 2HD TYR 23 -3.153 -9.323 0.795
161 HE1 TYR 23 1HE TYR 23 -0.909 -8.386 5.075
162 HE2 TYR 23 2HE TYR 23 -3.476 -10.838 2.709
163 HH TYR 23 HH TYR 23 -3.303 -10.500 5.375
164 HA PRO 24 HA PRO 24 -3.287 -6.340 -1.772
165 1HB PRO 24 2HB PRO 24 -5.042 -7.249 -3.526
166 2HB PRO 24 1HB PRO 24 -4.276 -8.353 -2.384
167 1HG PRO 24 2HG PRO 24 -7.057 -7.329 -2.432
168 2HG PRO 24 1HG PRO 24 -6.424 -8.833 -1.744
169 1HD PRO 24 2HD PRO 24 -6.942 -6.311 -0.408
170 2HD PRO 24 1HD PRO 24 -6.420 -7.853 0.305
171 H VAL 25 H VAL 25 -4.664 -3.945 -0.585
172 HA VAL 25 HA VAL 25 -5.313 -2.637 -3.140
173 HB VAL 25 HB VAL 25 -7.095 -2.137 -0.771
174 1HG1 VAL 25 1HG1 VAL 25 -8.600 -1.196 -2.454
175 2HG1 VAL 25 2HG1 VAL 25 -7.422 -1.578 -3.710
176 3HG1 VAL 25 3HG1 VAL 25 -7.024 -0.403 -2.458
177 1HG2 VAL 25 1HG2 VAL 25 -7.130 -4.479 -2.433
178 2HG2 VAL 25 2HG2 VAL 25 -8.598 -3.535 -2.682
179 3HG2 VAL 25 3HG2 VAL 25 -8.158 -4.069 -1.059
180 H CYS 26 H CYS 26 -4.845 -0.474 -3.218
181 HA CYS 26 HA CYS 26 -3.220 0.576 -1.045
182 1HB CYS 26 2HB CYS 26 -3.731 1.452 -3.886
183 2HB CYS 26 1HB CYS 26 -2.769 2.373 -2.753
184 H LYS 27 H LYS 27 -4.032 2.021 0.386
185 HA LYS 27 HA LYS 27 -6.088 3.884 -0.454
186 1HB LYS 27 2HB LYS 27 -6.552 1.639 1.435
187 2HB LYS 27 1HB LYS 27 -7.222 3.199 1.874
188 1HG LYS 27 2HG LYS 27 -7.762 1.688 -0.671
189 2HG LYS 27 1HG LYS 27 -8.855 1.839 0.704
190 1HD LYS 27 2HD LYS 27 -7.852 4.138 -0.979
191 2HD LYS 27 1HD LYS 27 -9.427 3.367 -1.154
192 1HE LYS 27 2HE LYS 27 -9.995 5.146 0.168
193 2HE LYS 27 1HE LYS 27 -9.629 3.948 1.406
194 1HZ LYS 27 1HZ LYS 27 -7.289 4.947 1.369
195 2HZ LYS 27 2HZ LYS 27 -8.518 5.865 2.083
196 3HZ LYS 27 3HZ LYS 27 -7.984 6.242 0.528
Start of MODEL 10
1 1H SER 1 1HT SER 1 8.671 9.886 -7.690
2 2H SER 1 2HT SER 1 9.055 11.506 -7.987
3 3H SER 1 3HT SER 1 8.643 10.486 -9.271
4 HA SER 1 HA SER 1 6.954 12.137 -7.912
5 1HB SER 1 2HB SER 1 6.813 11.144 -10.244
6 2HB SER 1 1HB SER 1 6.202 9.666 -9.503
7 HG SER 1 HG SER 1 4.419 10.828 -10.038
8 H ALA 2 H ALA 2 4.978 11.646 -6.709
9 HA ALA 2 HA ALA 2 5.481 9.958 -4.481
10 1HB ALA 2 1HB ALA 2 4.194 11.901 -4.085
11 2HB ALA 2 2HB ALA 2 3.087 10.542 -3.893
12 3HB ALA 2 3HB ALA 2 3.055 11.502 -5.372
13 H ILE 3 H ILE 3 4.900 7.894 -4.112
14 HA ILE 3 HA ILE 3 3.788 6.379 -6.269
15 HB ILE 3 HB ILE 3 4.495 5.368 -3.514
16 1HG1 ILE 3 2HG1 ILE 3 6.215 5.513 -6.005
17 2HG1 ILE 3 1HG1 ILE 3 6.410 6.524 -4.578
18 1HG2 ILE 3 1HG2 ILE 3 3.285 3.672 -4.525
19 2HG2 ILE 3 2HG2 ILE 3 4.933 3.272 -5.010
20 3HG2 ILE 3 3HG2 ILE 3 3.854 4.088 -6.142
21 1HD1 ILE 3 1HD1 ILE 3 7.581 4.034 -5.110
22 2HD1 ILE 3 2HD1 ILE 3 6.424 3.778 -3.803
23 3HD1 ILE 3 3HD1 ILE 3 7.689 4.994 -3.634
24 H SER 4 H SER 4 1.820 7.723 -6.095
25 HA SER 4 HA SER 4 -0.073 7.554 -4.080
26 1HB SER 4 2HB SER 4 -0.566 7.846 -7.050
27 2HB SER 4 1HB SER 4 -1.606 8.394 -5.743
28 HG SER 4 HG SER 4 0.833 9.446 -6.636
29 H CYS 5 H CYS 5 -2.048 6.333 -3.990
30 HA CYS 5 HA CYS 5 -1.673 3.590 -4.782
31 1HB CYS 5 2HB CYS 5 -3.868 4.837 -3.128
32 2HB CYS 5 1HB CYS 5 -3.404 3.141 -3.181
33 H GLY 6 H GLY 6 -4.871 4.099 -4.362
34 1HA GLY 6 2HA GLY 6 -6.722 4.161 -5.719
35 2HA GLY 6 1HA GLY 6 -5.744 5.032 -6.886
36 H GLU 7 H GLU 7 -5.062 1.789 -5.670
37 HA GLU 7 HA GLU 7 -6.201 0.434 -7.909
38 1HB GLU 7 2HB GLU 7 -4.215 -0.268 -9.044
39 2HB GLU 7 1HB GLU 7 -4.143 1.485 -8.925
40 1HG GLU 7 2HG GLU 7 -2.463 1.435 -7.325
41 2HG GLU 7 1HG GLU 7 -2.807 -0.235 -6.876
42 H THR 8 H THR 8 -5.323 -1.915 -7.955
43 HA THR 8 HA THR 8 -5.546 -2.974 -5.295
44 HB THR 8 HB THR 8 -5.137 -5.186 -6.561
45 HG1 THR 8 1HG THR 8 -4.264 -3.853 -8.427
46 1HG2 THR 8 1HG2 THR 8 -7.355 -5.231 -6.332
47 2HG2 THR 8 2HG2 THR 8 -7.497 -4.396 -7.880
48 3HG2 THR 8 3HG2 THR 8 -7.434 -3.470 -6.379
49 H CYS 9 H CYS 9 -3.927 -4.178 -4.173
50 HA CYS 9 HA CYS 9 -1.257 -4.234 -5.324
51 1HB CYS 9 2HB CYS 9 -1.430 -2.000 -4.322
52 2HB CYS 9 1HB CYS 9 -1.879 -2.719 -2.782
53 H PHE 10 H PHE 10 -1.351 -6.462 -5.168
54 HA PHE 10 HA PHE 10 -1.925 -7.755 -2.656
55 1HB PHE 10 2HB PHE 10 -1.025 -8.805 -5.346
56 2HB PHE 10 1HB PHE 10 -1.346 -9.827 -3.959
57 HD1 PHE 10 1HD PHE 10 -3.343 -10.934 -4.039
58 HD2 PHE 10 2HD PHE 10 -3.098 -7.031 -5.721
59 HE1 PHE 10 1HE PHE 10 -5.711 -11.069 -4.693
60 HE2 PHE 10 2HE PHE 10 -5.466 -7.159 -6.373
61 HZ PHE 10 HZ PHE 10 -6.776 -9.180 -5.859
62 H LYS 11 H LYS 11 0.360 -5.941 -2.725
63 HA LYS 11 HA LYS 11 2.324 -7.699 -1.544
64 1HB LYS 11 2HB LYS 11 2.922 -6.122 -4.045
65 2HB LYS 11 1HB LYS 11 4.188 -6.554 -2.908
66 1HG LYS 11 2HG LYS 11 2.413 -8.487 -4.387
67 2HG LYS 11 1HG LYS 11 4.091 -8.108 -4.779
68 1HD LYS 11 2HD LYS 11 3.186 -9.266 -2.143
69 2HD LYS 11 1HD LYS 11 3.775 -10.233 -3.496
70 1HE LYS 11 2HE LYS 11 5.347 -8.044 -2.141
71 2HE LYS 11 1HE LYS 11 5.499 -9.761 -1.768
72 1HZ LYS 11 1HZ LYS 11 6.959 -8.441 -3.613
73 2HZ LYS 11 2HZ LYS 11 5.756 -9.148 -4.571
74 3HZ LYS 11 3HZ LYS 11 6.727 -10.119 -3.582
75 H PHE 12 H PHE 12 3.922 -4.969 -2.469
76 HA PHE 12 HA PHE 12 2.872 -3.175 -0.445
77 1HB PHE 12 2HB PHE 12 5.688 -4.289 -0.297
78 2HB PHE 12 1HB PHE 12 5.127 -2.896 0.615
79 HD1 PHE 12 1HD PHE 12 3.583 -3.162 2.469
80 HD2 PHE 12 2HD PHE 12 5.065 -6.529 0.326
81 HE1 PHE 12 1HE PHE 12 2.859 -4.640 4.297
82 HE2 PHE 12 2HE PHE 12 4.337 -8.013 2.148
83 HZ PHE 12 HZ PHE 12 3.233 -7.069 4.137
84 H LYS 13 H LYS 13 2.530 -2.281 -2.760
85 HA LYS 13 HA LYS 13 4.936 -1.160 -3.930
86 1HB LYS 13 2HB LYS 13 2.052 -1.035 -4.776
87 2HB LYS 13 1HB LYS 13 3.334 -0.181 -5.616
88 1HG LYS 13 2HG LYS 13 4.429 -2.513 -5.825
89 2HG LYS 13 1HG LYS 13 2.808 -3.115 -5.457
90 1HD LYS 13 2HD LYS 13 3.593 -1.290 -7.732
91 2HD LYS 13 1HD LYS 13 3.073 -2.972 -7.856
92 1HE LYS 13 2HE LYS 13 0.864 -2.445 -7.249
93 2HE LYS 13 1HE LYS 13 1.322 -0.860 -6.632
94 1HZ LYS 13 1HZ LYS 13 1.468 0.014 -8.741
95 2HZ LYS 13 2HZ LYS 13 0.165 -1.053 -8.916
96 3HZ LYS 13 3HZ LYS 13 1.701 -1.488 -9.484
97 H CYS 14 H CYS 14 1.910 0.120 -2.601
98 HA CYS 14 HA CYS 14 2.928 2.816 -2.781
99 1HB CYS 14 2HB CYS 14 0.354 1.948 -1.477
100 2HB CYS 14 1HB CYS 14 0.745 3.518 -2.173
101 H TYR 15 H TYR 15 3.902 3.907 -1.248
102 HA TYR 15 HA TYR 15 3.336 3.472 1.530
103 1HB TYR 15 2HB TYR 15 5.783 3.144 2.116
104 2HB TYR 15 1HB TYR 15 4.966 1.761 1.405
105 HD1 TYR 15 1HD TYR 15 6.973 4.720 0.257
106 HD2 TYR 15 2HD TYR 15 6.128 0.572 -0.160
107 HE1 TYR 15 1HE TYR 15 8.751 4.532 -1.431
108 HE2 TYR 15 2HE TYR 15 7.901 0.373 -1.849
109 HH TYR 15 HH TYR 15 9.253 1.567 -3.245
110 H THR 16 H THR 16 3.312 5.543 -0.620
111 HA THR 16 HA THR 16 5.172 7.545 0.355
112 HB THR 16 HB THR 16 3.043 7.623 -1.818
113 HG1 THR 16 1HG THR 16 5.652 6.935 -1.713
114 1HG2 THR 16 1HG2 THR 16 4.626 9.817 -0.565
115 2HG2 THR 16 2HG2 THR 16 3.007 9.847 -1.262
116 3HG2 THR 16 3HG2 THR 16 4.420 9.839 -2.318
117 HA PRO 17 HA PRO 17 2.908 9.089 3.816
118 1HB PRO 17 2HB PRO 17 3.032 11.755 2.612
119 2HB PRO 17 1HB PRO 17 3.755 11.164 4.108
120 1HG PRO 17 2HG PRO 17 4.972 11.466 1.493
121 2HG PRO 17 1HG PRO 17 5.743 11.076 3.037
122 1HD PRO 17 2HD PRO 17 5.547 9.315 0.959
123 2HD PRO 17 1HD PRO 17 5.623 8.813 2.661
124 H ARG 18 H ARG 18 0.843 8.995 4.176
125 HA ARG 18 HA ARG 18 -1.391 9.364 4.148
126 1HB ARG 18 2HB ARG 18 -0.779 11.671 3.391
127 2HB ARG 18 1HB ARG 18 -0.912 11.109 1.738
128 1HG ARG 18 2HG ARG 18 -3.324 10.503 2.312
129 2HG ARG 18 1HG ARG 18 -3.085 11.455 3.777
130 1HD ARG 18 2HD ARG 18 -4.082 12.889 2.161
131 2HD ARG 18 1HD ARG 18 -2.394 13.368 2.312
132 HE ARG 18 HE ARG 18 -3.674 12.139 0.009
133 1HH1 ARG 18 1HH1 ARG 18 -0.689 13.227 1.485
134 2HH1 ARG 18 2HH1 ARG 18 0.232 13.092 0.027
135 1HH2 ARG 18 1HH2 ARG 18 -2.464 11.978 -1.923
136 2HH2 ARG 18 2HH2 ARG 18 -0.781 12.389 -1.918
137 H CYS 19 H CYS 19 0.234 7.428 2.410
138 HA CYS 19 HA CYS 19 -2.060 6.226 1.121
139 1HB CYS 19 2HB CYS 19 -0.401 7.815 -0.431
140 2HB CYS 19 1HB CYS 19 0.235 6.195 -0.694
141 H SER 20 H SER 20 -1.921 3.995 1.194
142 HA SER 20 HA SER 20 0.683 2.768 1.606
143 1HB SER 20 2HB SER 20 -0.573 1.504 3.607
144 2HB SER 20 1HB SER 20 0.422 2.938 3.840
145 HG SER 20 HG SER 20 -2.174 3.501 3.148
146 H CYS 21 H CYS 21 0.873 0.725 1.066
147 HA CYS 21 HA CYS 21 -1.320 -0.424 -0.441
148 1HB CYS 21 2HB CYS 21 0.760 -0.634 -1.554
149 2HB CYS 21 1HB CYS 21 1.582 -1.198 -0.104
150 H SER 22 H SER 22 -2.802 -1.026 1.042
151 HA SER 22 HA SER 22 -2.020 -2.851 3.185
152 1HB SER 22 2HB SER 22 -3.568 -0.956 3.713
153 2HB SER 22 1HB SER 22 -4.726 -1.616 2.561
154 HG SER 22 HG SER 22 -4.927 -3.439 3.854
155 H TYR 23 H TYR 23 -1.485 -4.587 1.866
156 HA TYR 23 HA TYR 23 -2.683 -5.597 -0.297
157 1HB TYR 23 2HB TYR 23 -1.692 -7.683 0.133
158 2HB TYR 23 1HB TYR 23 -0.657 -6.513 0.936
159 HD1 TYR 23 1HD TYR 23 -0.380 -6.542 3.319
160 HD2 TYR 23 2HD TYR 23 -3.150 -9.172 1.439
161 HE1 TYR 23 1HE TYR 23 -0.550 -7.840 5.401
162 HE2 TYR 23 2HE TYR 23 -3.332 -10.473 3.522
163 HH TYR 23 HH TYR 23 -2.904 -9.790 6.162
164 HA PRO 24 HA PRO 24 -3.315 -6.634 -1.438
165 1HB PRO 24 2HB PRO 24 -5.141 -7.645 -3.059
166 2HB PRO 24 1HB PRO 24 -4.393 -8.657 -1.823
167 1HG PRO 24 2HG PRO 24 -7.122 -7.486 -1.906
168 2HG PRO 24 1HG PRO 24 -6.564 -8.986 -1.147
169 1HD PRO 24 2HD PRO 24 -6.947 -6.418 0.085
170 2HD PRO 24 1HD PRO 24 -6.361 -7.915 0.841
171 H VAL 25 H VAL 25 -4.530 -4.075 -0.484
172 HA VAL 25 HA VAL 25 -5.163 -3.002 -3.142
173 HB VAL 25 HB VAL 25 -6.886 -2.158 -0.832
174 1HG1 VAL 25 1HG1 VAL 25 -7.474 -2.015 -3.771
175 2HG1 VAL 25 2HG1 VAL 25 -6.607 -0.750 -2.900
176 3HG1 VAL 25 3HG1 VAL 25 -8.265 -1.152 -2.452
177 1HG2 VAL 25 1HG2 VAL 25 -7.086 -4.662 -2.261
178 2HG2 VAL 25 2HG2 VAL 25 -8.525 -3.669 -2.497
179 3HG2 VAL 25 3HG2 VAL 25 -7.999 -4.086 -0.866
180 H CYS 26 H CYS 26 -4.518 -0.910 -3.428
181 HA CYS 26 HA CYS 26 -2.851 0.218 -1.334
182 1HB CYS 26 2HB CYS 26 -3.136 0.551 -4.270
183 2HB CYS 26 1HB CYS 26 -2.643 1.969 -3.366
184 H LYS 27 H LYS 27 -3.621 1.721 0.017
185 HA LYS 27 HA LYS 27 -5.824 3.433 -0.901
186 1HB LYS 27 2HB LYS 27 -6.946 1.898 0.496
187 2HB LYS 27 1HB LYS 27 -5.630 1.861 1.659
188 1HG LYS 27 2HG LYS 27 -7.564 3.066 2.522
189 2HG LYS 27 1HG LYS 27 -6.160 4.122 2.367
190 1HD LYS 27 2HD LYS 27 -7.259 4.569 -0.018
191 2HD LYS 27 1HD LYS 27 -8.720 4.124 0.867
192 1HE LYS 27 2HE LYS 27 -8.390 6.526 0.951
193 2HE LYS 27 1HE LYS 27 -8.195 5.828 2.559
194 1HZ LYS 27 1HZ LYS 27 -6.449 7.515 1.421
195 2HZ LYS 27 2HZ LYS 27 -5.746 6.029 1.016
196 3HZ LYS 27 3HZ LYS 27 -6.044 6.414 2.638
Start of MODEL 11
1 1H SER 1 1HT SER 1 4.237 16.118 -5.055
2 2H SER 1 2HT SER 1 2.752 16.549 -4.367
3 3H SER 1 3HT SER 1 2.815 16.001 -5.967
4 HA SER 1 HA SER 1 2.750 13.882 -5.382
5 1HB SER 1 2HB SER 1 5.150 14.166 -4.663
6 2HB SER 1 1HB SER 1 4.566 14.539 -3.042
7 HG SER 1 HG SER 1 5.147 12.314 -3.333
8 H ALA 2 H ALA 2 1.338 12.661 -4.116
9 HA ALA 2 HA ALA 2 0.436 13.454 -1.541
10 1HB ALA 2 1HB ALA 2 -1.991 13.821 -2.434
11 2HB ALA 2 2HB ALA 2 -1.175 14.274 -3.929
12 3HB ALA 2 3HB ALA 2 -0.847 15.163 -2.442
13 H ILE 3 H ILE 3 -2.311 12.370 -2.238
14 HA ILE 3 HA ILE 3 -1.665 9.608 -1.879
15 HB ILE 3 HB ILE 3 -4.445 10.690 -2.315
16 1HG1 ILE 3 2HG1 ILE 3 -4.379 10.581 0.340
17 2HG1 ILE 3 1HG1 ILE 3 -2.671 10.917 0.079
18 1HG2 ILE 3 1HG2 ILE 3 -3.680 8.146 -2.138
19 2HG2 ILE 3 2HG2 ILE 3 -5.212 8.720 -1.477
20 3HG2 ILE 3 3HG2 ILE 3 -3.821 8.502 -0.415
21 1HD1 ILE 3 1HD1 ILE 3 -3.119 13.065 -0.165
22 2HD1 ILE 3 2HD1 ILE 3 -4.822 12.731 0.147
23 3HD1 ILE 3 3HD1 ILE 3 -4.208 12.713 -1.506
24 H SER 4 H SER 4 -0.570 10.097 -4.189
25 HA SER 4 HA SER 4 -2.281 9.763 -6.449
26 1HB SER 4 2HB SER 4 0.721 9.482 -6.212
27 2HB SER 4 1HB SER 4 -0.200 9.724 -7.688
28 HG SER 4 HG SER 4 -0.883 11.748 -6.818
29 H CYS 5 H CYS 5 -3.121 7.763 -5.038
30 HA CYS 5 HA CYS 5 -1.811 5.381 -6.120
31 1HB CYS 5 2HB CYS 5 -3.082 5.824 -3.419
32 2HB CYS 5 1HB CYS 5 -2.623 4.246 -4.029
33 H GLY 6 H GLY 6 -4.503 4.694 -4.260
34 1HA GLY 6 2HA GLY 6 -6.688 4.149 -4.722
35 2HA GLY 6 1HA GLY 6 -6.596 5.229 -6.105
36 H GLU 7 H GLU 7 -4.660 2.353 -5.422
37 HA GLU 7 HA GLU 7 -5.980 0.939 -7.614
38 1HB GLU 7 2HB GLU 7 -3.813 0.263 -8.559
39 2HB GLU 7 1HB GLU 7 -4.026 2.008 -8.622
40 1HG GLU 7 2HG GLU 7 -2.517 2.355 -6.849
41 2HG GLU 7 1HG GLU 7 -2.511 0.648 -6.417
42 H THR 8 H THR 8 -4.884 -1.347 -7.743
43 HA THR 8 HA THR 8 -5.059 -2.468 -5.053
44 HB THR 8 HB THR 8 -5.136 -4.667 -6.348
45 HG1 THR 8 1HG THR 8 -4.296 -3.464 -8.319
46 1HG2 THR 8 1HG2 THR 8 -7.163 -2.585 -6.101
47 2HG2 THR 8 2HG2 THR 8 -7.269 -4.312 -5.757
48 3HG2 THR 8 3HG2 THR 8 -7.503 -3.725 -7.404
49 H CYS 9 H CYS 9 -3.444 -3.806 -4.181
50 HA CYS 9 HA CYS 9 -1.033 -4.269 -5.698
51 1HB CYS 9 2HB CYS 9 0.451 -3.197 -4.075
52 2HB CYS 9 1HB CYS 9 -0.652 -2.021 -4.776
53 H PHE 10 H PHE 10 -1.130 -6.396 -5.460
54 HA PHE 10 HA PHE 10 -1.854 -7.699 -3.021
55 1HB PHE 10 2HB PHE 10 -0.764 -8.728 -5.644
56 2HB PHE 10 1HB PHE 10 -1.209 -9.769 -4.305
57 HD1 PHE 10 1HD PHE 10 -2.721 -6.958 -6.257
58 HD2 PHE 10 2HD PHE 10 -3.262 -10.762 -4.426
59 HE1 PHE 10 1HE PHE 10 -5.041 -7.015 -7.071
60 HE2 PHE 10 2HE PHE 10 -5.583 -10.825 -5.237
61 HZ PHE 10 HZ PHE 10 -6.475 -8.950 -6.562
62 H LYS 11 H LYS 11 0.185 -6.112 -2.297
63 HA LYS 11 HA LYS 11 2.014 -7.807 -1.058
64 1HB LYS 11 2HB LYS 11 4.120 -7.085 -2.263
65 2HB LYS 11 1HB LYS 11 3.101 -8.210 -3.144
66 1HG LYS 11 2HG LYS 11 2.166 -6.258 -4.398
67 2HG LYS 11 1HG LYS 11 3.382 -5.250 -3.611
68 1HD LYS 11 2HD LYS 11 3.943 -7.647 -5.358
69 2HD LYS 11 1HD LYS 11 4.094 -5.961 -5.851
70 1HE LYS 11 2HE LYS 11 5.824 -5.619 -4.159
71 2HE LYS 11 1HE LYS 11 5.659 -7.296 -3.643
72 1HZ LYS 11 1HZ LYS 11 7.042 -7.927 -5.236
73 2HZ LYS 11 2HZ LYS 11 7.315 -6.304 -5.625
74 3HZ LYS 11 3HZ LYS 11 6.111 -7.175 -6.432
75 H PHE 12 H PHE 12 4.039 -5.417 -1.813
76 HA PHE 12 HA PHE 12 2.864 -3.379 -0.066
77 1HB PHE 12 2HB PHE 12 5.631 -4.581 0.226
78 2HB PHE 12 1HB PHE 12 5.127 -3.088 1.007
79 HD1 PHE 12 1HD PHE 12 3.964 -3.122 3.034
80 HD2 PHE 12 2HD PHE 12 4.434 -6.725 0.819
81 HE1 PHE 12 1HE PHE 12 3.111 -4.408 4.950
82 HE2 PHE 12 2HE PHE 12 3.576 -8.015 2.728
83 HZ PHE 12 HZ PHE 12 2.913 -6.857 4.798
84 H LYS 13 H LYS 13 2.546 -2.708 -2.403
85 HA LYS 13 HA LYS 13 4.919 -1.697 -3.715
86 1HB LYS 13 2HB LYS 13 3.255 -2.749 -5.113
87 2HB LYS 13 1HB LYS 13 2.011 -1.658 -4.520
88 1HG LYS 13 2HG LYS 13 3.475 0.216 -5.490
89 2HG LYS 13 1HG LYS 13 4.296 -1.075 -6.368
90 1HD LYS 13 2HD LYS 13 2.229 -1.724 -7.434
91 2HD LYS 13 1HD LYS 13 1.324 -0.560 -6.463
92 1HE LYS 13 2HE LYS 13 2.684 1.255 -7.494
93 2HE LYS 13 1HE LYS 13 3.410 0.048 -8.552
94 1HZ LYS 13 1HZ LYS 13 1.719 0.441 -9.920
95 2HZ LYS 13 2HZ LYS 13 0.886 1.365 -8.769
96 3HZ LYS 13 3HZ LYS 13 0.696 -0.314 -8.803
97 H CYS 14 H CYS 14 1.910 -0.325 -2.449
98 HA CYS 14 HA CYS 14 2.908 2.351 -2.885
99 1HB CYS 14 2HB CYS 14 0.310 1.390 -1.687
100 2HB CYS 14 1HB CYS 14 0.697 3.063 -2.070
101 H TYR 15 H TYR 15 3.656 3.713 -1.457
102 HA TYR 15 HA TYR 15 3.241 3.480 1.366
103 1HB TYR 15 2HB TYR 15 5.797 3.463 1.785
104 2HB TYR 15 1HB TYR 15 5.006 1.934 1.428
105 HD1 TYR 15 1HD TYR 15 6.639 4.730 -0.470
106 HD2 TYR 15 2HD TYR 15 6.109 0.529 -0.017
107 HE1 TYR 15 1HE TYR 15 8.226 4.337 -2.305
108 HE2 TYR 15 2HE TYR 15 7.699 0.129 -1.850
109 HH TYR 15 HH TYR 15 8.701 1.186 -3.682
110 H THR 16 H THR 16 2.738 5.255 -0.772
111 HA THR 16 HA THR 16 4.511 7.512 -0.616
112 HB THR 16 HB THR 16 2.047 8.238 -1.795
113 HG1 THR 16 1HG THR 16 1.452 6.496 -2.968
114 1HG2 THR 16 1HG2 THR 16 3.330 8.591 -3.688
115 2HG2 THR 16 2HG2 THR 16 4.331 7.166 -3.403
116 3HG2 THR 16 3HG2 THR 16 4.561 8.616 -2.424
117 HA PRO 17 HA PRO 17 2.676 9.957 2.581
118 1HB PRO 17 2HB PRO 17 1.636 12.174 1.237
119 2HB PRO 17 1HB PRO 17 3.287 12.017 1.840
120 1HG PRO 17 2HG PRO 17 2.223 11.581 -0.911
121 2HG PRO 17 1HG PRO 17 3.772 12.279 -0.401
122 1HD PRO 17 2HD PRO 17 3.620 9.782 -1.347
123 2HD PRO 17 1HD PRO 17 4.726 10.196 -0.020
124 H ARG 18 H ARG 18 0.931 9.245 3.538
125 HA ARG 18 HA ARG 18 -1.183 8.689 4.052
126 1HB ARG 18 2HB ARG 18 -1.581 11.092 3.652
127 2HB ARG 18 1HB ARG 18 -1.923 10.747 1.969
128 1HG ARG 18 2HG ARG 18 -3.900 11.121 3.549
129 2HG ARG 18 1HG ARG 18 -3.969 9.737 2.461
130 1HD ARG 18 2HD ARG 18 -2.881 9.403 5.230
131 2HD ARG 18 1HD ARG 18 -4.625 9.467 4.976
132 HE ARG 18 HE ARG 18 -3.650 7.633 3.149
133 1HH1 ARG 18 1HH1 ARG 18 -3.736 7.936 6.641
134 2HH1 ARG 18 2HH1 ARG 18 -3.710 6.227 6.913
135 1HH2 ARG 18 1HH2 ARG 18 -3.621 5.392 3.490
136 2HH2 ARG 18 2HH2 ARG 18 -3.627 4.772 5.116
137 H CYS 19 H CYS 19 0.147 7.036 2.334
138 HA CYS 19 HA CYS 19 -2.090 5.710 1.082
139 1HB CYS 19 2HB CYS 19 -1.339 6.977 -0.810
140 2HB CYS 19 1HB CYS 19 0.343 6.560 -0.492
141 H SER 20 H SER 20 -1.986 3.791 2.029
142 HA SER 20 HA SER 20 0.667 2.550 2.324
143 1HB SER 20 2HB SER 20 -1.110 1.232 4.050
144 2HB SER 20 1HB SER 20 0.188 2.336 4.491
145 HG SER 20 HG SER 20 -2.500 3.059 3.868
146 H CYS 21 H CYS 21 0.981 0.576 1.495
147 HA CYS 21 HA CYS 21 -1.104 -0.466 -0.209
148 1HB CYS 21 2HB CYS 21 1.148 -0.470 -1.090
149 2HB CYS 21 1HB CYS 21 1.729 -1.428 0.264
150 H SER 22 H SER 22 -2.651 -1.064 1.302
151 HA SER 22 HA SER 22 -2.014 -3.170 3.190
152 1HB SER 22 2HB SER 22 -4.594 -2.852 3.568
153 2HB SER 22 1HB SER 22 -3.484 -1.626 4.171
154 HG SER 22 HG SER 22 -4.584 -1.430 1.582
155 H TYR 23 H TYR 23 -1.462 -4.724 1.644
156 HA TYR 23 HA TYR 23 -2.616 -5.432 -0.647
157 1HB TYR 23 2HB TYR 23 -1.655 -7.554 -0.477
158 2HB TYR 23 1HB TYR 23 -0.660 -6.553 0.567
159 HD1 TYR 23 1HD TYR 23 -0.554 -6.961 2.935
160 HD2 TYR 23 2HD TYR 23 -3.200 -9.209 0.469
161 HE1 TYR 23 1HE TYR 23 -0.875 -8.575 4.762
162 HE2 TYR 23 2HE TYR 23 -3.533 -10.826 2.297
163 HH TYR 23 HH TYR 23 -3.317 -10.657 4.969
164 HA PRO 24 HA PRO 24 -3.266 -6.138 -1.930
165 1HB PRO 24 2HB PRO 24 -5.066 -6.875 -3.729
166 2HB PRO 24 1HB PRO 24 -4.317 -8.070 -2.670
167 1HG PRO 24 2HG PRO 24 -7.071 -6.984 -2.625
168 2HG PRO 24 1HG PRO 24 -6.464 -8.537 -2.028
169 1HD PRO 24 2HD PRO 24 -6.921 -6.087 -0.548
170 2HD PRO 24 1HD PRO 24 -6.423 -7.676 0.071
171 H VAL 25 H VAL 25 -4.447 -3.740 -0.643
172 HA VAL 25 HA VAL 25 -5.151 -2.306 -3.116
173 HB VAL 25 HB VAL 25 -6.727 -1.733 -0.628
174 1HG1 VAL 25 1HG1 VAL 25 -7.787 -1.264 -3.342
175 2HG1 VAL 25 2HG1 VAL 25 -6.439 -0.254 -2.817
176 3HG1 VAL 25 3HG1 VAL 25 -7.931 -0.292 -1.878
177 1HG2 VAL 25 1HG2 VAL 25 -8.574 -3.055 -1.410
178 2HG2 VAL 25 2HG2 VAL 25 -7.155 -4.094 -1.284
179 3HG2 VAL 25 3HG2 VAL 25 -7.686 -3.514 -2.863
180 H CYS 26 H CYS 26 -4.457 -0.225 -3.194
181 HA CYS 26 HA CYS 26 -2.606 0.640 -1.147
182 1HB CYS 26 2HB CYS 26 -3.366 1.719 -3.863
183 2HB CYS 26 1HB CYS 26 -2.206 2.489 -2.804
184 H LYS 27 H LYS 27 -3.493 1.645 0.570
185 HA LYS 27 HA LYS 27 -5.236 3.925 0.096
186 1HB LYS 27 2HB LYS 27 -5.920 1.496 1.727
187 2HB LYS 27 1HB LYS 27 -6.573 3.063 2.155
188 1HG LYS 27 2HG LYS 27 -6.933 1.694 -0.499
189 2HG LYS 27 1HG LYS 27 -8.126 1.742 0.800
190 1HD LYS 27 2HD LYS 27 -7.044 4.089 -0.759
191 2HD LYS 27 1HD LYS 27 -8.673 3.418 -0.850
192 1HE LYS 27 2HE LYS 27 -7.405 4.792 1.516
193 2HE LYS 27 1HE LYS 27 -8.704 5.416 0.502
194 1HZ LYS 27 1HZ LYS 27 -9.885 4.593 2.252
195 2HZ LYS 27 2HZ LYS 27 -8.790 3.344 2.570
196 3HZ LYS 27 3HZ LYS 27 -9.862 3.216 1.268
Start of MODEL 12
1 1H SER 1 1HT SER 1 -3.593 12.933 -10.483
2 2H SER 1 2HT SER 1 -2.987 13.090 -8.911
3 3H SER 1 3HT SER 1 -3.062 11.564 -9.640
4 HA SER 1 HA SER 1 -1.200 11.855 -10.816
5 1HB SER 1 2HB SER 1 -1.679 14.831 -10.950
6 2HB SER 1 1HB SER 1 -0.776 13.813 -12.077
7 HG SER 1 HG SER 1 -2.711 14.125 -13.047
8 H ALA 2 H ALA 2 -0.897 11.483 -8.257
9 HA ALA 2 HA ALA 2 1.472 12.900 -7.568
10 1HB ALA 2 1HB ALA 2 0.677 13.871 -5.445
11 2HB ALA 2 2HB ALA 2 -0.974 13.425 -5.875
12 3HB ALA 2 3HB ALA 2 -0.098 14.610 -6.845
13 H ILE 3 H ILE 3 -1.148 11.366 -5.700
14 HA ILE 3 HA ILE 3 0.625 9.752 -4.204
15 HB ILE 3 HB ILE 3 -2.354 9.421 -4.595
16 1HG1 ILE 3 2HG1 ILE 3 -1.808 11.634 -3.710
17 2HG1 ILE 3 1HG1 ILE 3 -2.565 10.646 -2.466
18 1HG2 ILE 3 1HG2 ILE 3 -1.000 7.464 -3.672
19 2HG2 ILE 3 2HG2 ILE 3 -2.382 8.014 -2.725
20 3HG2 ILE 3 3HG2 ILE 3 -0.748 8.471 -2.246
21 1HD1 ILE 3 1HD1 ILE 3 -0.337 10.188 -1.522
22 2HD1 ILE 3 2HD1 ILE 3 -0.742 11.905 -1.528
23 3HD1 ILE 3 3HD1 ILE 3 0.370 11.257 -2.733
24 H SER 4 H SER 4 1.610 7.947 -4.840
25 HA SER 4 HA SER 4 0.999 6.721 -7.347
26 1HB SER 4 2HB SER 4 2.961 5.779 -5.264
27 2HB SER 4 1HB SER 4 3.002 5.520 -7.001
28 HG SER 4 HG SER 4 3.003 8.028 -6.918
29 H CYS 5 H CYS 5 -1.265 6.316 -5.996
30 HA CYS 5 HA CYS 5 -1.180 3.482 -5.354
31 1HB CYS 5 2HB CYS 5 -2.749 5.628 -3.904
32 2HB CYS 5 1HB CYS 5 -2.894 3.908 -3.630
33 H GLY 6 H GLY 6 -4.185 4.596 -4.816
34 1HA GLY 6 2HA GLY 6 -6.178 4.537 -5.943
35 2HA GLY 6 1HA GLY 6 -5.287 5.177 -7.312
36 H GLU 7 H GLU 7 -4.635 2.053 -5.823
37 HA GLU 7 HA GLU 7 -6.184 0.530 -7.667
38 1HB GLU 7 2HB GLU 7 -4.293 -0.521 -8.866
39 2HB GLU 7 1HB GLU 7 -4.469 1.185 -9.248
40 1HG GLU 7 2HG GLU 7 -2.554 1.776 -8.098
41 2HG GLU 7 1HG GLU 7 -2.574 0.315 -7.112
42 H THR 8 H THR 8 -5.022 -1.820 -7.696
43 HA THR 8 HA THR 8 -5.066 -2.628 -4.918
44 HB THR 8 HB THR 8 -4.861 -4.954 -5.934
45 HG1 THR 8 1HG THR 8 -5.718 -4.415 -8.359
46 1HG2 THR 8 1HG2 THR 8 -7.146 -3.104 -6.566
47 2HG2 THR 8 2HG2 THR 8 -7.021 -4.294 -5.271
48 3HG2 THR 8 3HG2 THR 8 -7.211 -4.825 -6.942
49 H CYS 9 H CYS 9 -3.404 -4.338 -4.224
50 HA CYS 9 HA CYS 9 -0.835 -4.055 -5.493
51 1HB CYS 9 2HB CYS 9 0.307 -3.273 -3.442
52 2HB CYS 9 1HB CYS 9 -0.805 -2.085 -4.105
53 H PHE 10 H PHE 10 -0.621 -6.187 -5.782
54 HA PHE 10 HA PHE 10 -1.045 -8.070 -3.621
55 1HB PHE 10 2HB PHE 10 -0.158 -8.340 -6.496
56 2HB PHE 10 1HB PHE 10 -0.107 -9.694 -5.379
57 HD1 PHE 10 1HD PHE 10 -1.809 -11.175 -5.735
58 HD2 PHE 10 2HD PHE 10 -2.601 -7.014 -6.144
59 HE1 PHE 10 1HE PHE 10 -4.167 -11.675 -6.226
60 HE2 PHE 10 2HE PHE 10 -4.960 -7.506 -6.634
61 HZ PHE 10 HZ PHE 10 -5.747 -9.840 -6.675
62 H LYS 11 H LYS 11 0.728 -6.044 -3.165
63 HA LYS 11 HA LYS 11 2.946 -7.231 -1.984
64 1HB LYS 11 2HB LYS 11 3.667 -7.369 -4.438
65 2HB LYS 11 1HB LYS 11 3.646 -5.612 -4.458
66 1HG LYS 11 2HG LYS 11 5.353 -5.597 -2.682
67 2HG LYS 11 1HG LYS 11 5.404 -7.361 -2.749
68 1HD LYS 11 2HD LYS 11 6.032 -7.204 -5.143
69 2HD LYS 11 1HD LYS 11 6.088 -5.448 -4.980
70 1HE LYS 11 2HE LYS 11 8.322 -6.327 -4.802
71 2HE LYS 11 1HE LYS 11 7.819 -5.707 -3.230
72 1HZ LYS 11 1HZ LYS 11 8.781 -8.233 -3.803
73 2HZ LYS 11 2HZ LYS 11 7.135 -8.444 -3.474
74 3HZ LYS 11 3HZ LYS 11 8.135 -7.694 -2.334
75 H PHE 12 H PHE 12 4.151 -5.427 -0.853
76 HA PHE 12 HA PHE 12 2.345 -3.232 -0.378
77 1HB PHE 12 2HB PHE 12 4.935 -4.084 0.897
78 2HB PHE 12 1HB PHE 12 4.160 -2.559 1.307
79 HD1 PHE 12 1HD PHE 12 2.956 -6.069 0.795
80 HD2 PHE 12 2HD PHE 12 3.091 -2.645 3.320
81 HE1 PHE 12 1HE PHE 12 1.527 -7.222 2.431
82 HE2 PHE 12 2HE PHE 12 1.664 -3.795 4.960
83 HZ PHE 12 HZ PHE 12 0.880 -6.087 4.517
84 H LYS 13 H LYS 13 2.757 -2.749 -2.733
85 HA LYS 13 HA LYS 13 5.086 -1.047 -3.133
86 1HB LYS 13 2HB LYS 13 4.464 -1.073 -5.510
87 2HB LYS 13 1HB LYS 13 4.595 -2.707 -4.874
88 1HG LYS 13 2HG LYS 13 2.271 -3.014 -4.865
89 2HG LYS 13 1HG LYS 13 1.955 -1.286 -5.020
90 1HD LYS 13 2HD LYS 13 2.971 -1.367 -7.290
91 2HD LYS 13 1HD LYS 13 3.107 -3.118 -7.121
92 1HE LYS 13 2HE LYS 13 1.119 -2.546 -8.390
93 2HE LYS 13 1HE LYS 13 0.673 -3.272 -6.848
94 1HZ LYS 13 1HZ LYS 13 0.128 -0.630 -7.870
95 2HZ LYS 13 2HZ LYS 13 0.718 -0.627 -6.280
96 3HZ LYS 13 3HZ LYS 13 -0.673 -1.515 -6.663
97 H CYS 14 H CYS 14 3.046 -0.055 -1.395
98 HA CYS 14 HA CYS 14 2.460 2.395 -2.845
99 1HB CYS 14 2HB CYS 14 0.331 0.700 -1.545
100 2HB CYS 14 1HB CYS 14 0.109 2.416 -1.862
101 H TYR 15 H TYR 15 4.383 2.474 -1.233
102 HA TYR 15 HA TYR 15 3.446 3.206 1.439
103 1HB TYR 15 2HB TYR 15 6.029 3.409 1.798
104 2HB TYR 15 1HB TYR 15 5.285 1.817 1.715
105 HD1 TYR 15 1HD TYR 15 7.083 4.333 -0.368
106 HD2 TYR 15 2HD TYR 15 6.043 0.238 0.172
107 HE1 TYR 15 1HE TYR 15 8.607 3.710 -2.194
108 HE2 TYR 15 2HE TYR 15 7.570 -0.392 -1.649
109 HH TYR 15 HH TYR 15 9.789 0.800 -2.691
110 H THR 16 H THR 16 2.810 4.784 -0.814
111 HA THR 16 HA THR 16 4.482 7.092 -0.987
112 HB THR 16 HB THR 16 1.555 6.929 -1.719
113 HG1 THR 16 1HG THR 16 3.788 6.042 -3.262
114 1HG2 THR 16 1HG2 THR 16 2.282 8.434 -3.567
115 2HG2 THR 16 2HG2 THR 16 3.890 8.482 -2.842
116 3HG2 THR 16 3HG2 THR 16 2.506 9.132 -1.962
117 HA PRO 17 HA PRO 17 3.366 9.232 2.747
118 1HB PRO 17 2HB PRO 17 3.104 11.582 0.915
119 2HB PRO 17 1HB PRO 17 3.962 11.448 2.456
120 1HG PRO 17 2HG PRO 17 5.298 11.393 0.156
121 2HG PRO 17 1HG PRO 17 5.768 10.345 1.507
122 1HD PRO 17 2HD PRO 17 4.370 9.656 -1.027
123 2HD PRO 17 1HD PRO 17 5.481 8.680 -0.046
124 H ARG 18 H ARG 18 1.478 9.174 3.691
125 HA ARG 18 HA ARG 18 -0.689 9.439 4.231
126 1HB ARG 18 2HB ARG 18 -0.327 11.726 3.260
127 2HB ARG 18 1HB ARG 18 -0.953 11.114 1.743
128 1HG ARG 18 2HG ARG 18 -3.112 10.697 2.759
129 2HG ARG 18 1HG ARG 18 -2.486 11.176 4.338
130 1HD ARG 18 2HD ARG 18 -3.790 12.964 3.286
131 2HD ARG 18 1HD ARG 18 -2.109 13.430 3.534
132 HE ARG 18 HE ARG 18 -1.951 13.754 1.295
133 1HH1 ARG 18 1HH1 ARG 18 -4.537 11.454 1.835
134 2HH1 ARG 18 2HH1 ARG 18 -4.967 11.351 0.162
135 1HH2 ARG 18 1HH2 ARG 18 -2.522 13.627 -0.912
136 2HH2 ARG 18 2HH2 ARG 18 -3.819 12.591 -1.404
137 H CYS 19 H CYS 19 0.314 7.298 2.492
138 HA CYS 19 HA CYS 19 -2.249 6.187 1.772
139 1HB CYS 19 2HB CYS 19 -1.571 7.273 -0.355
140 2HB CYS 19 1HB CYS 19 -0.064 6.360 -0.324
141 H SER 20 H SER 20 -2.206 3.904 1.735
142 HA SER 20 HA SER 20 0.369 2.637 2.250
143 1HB SER 20 2HB SER 20 -1.090 1.360 4.125
144 2HB SER 20 1HB SER 20 -0.034 2.728 4.460
145 HG SER 20 HG SER 20 -2.554 3.445 3.619
146 H CYS 21 H CYS 21 0.555 0.606 1.625
147 HA CYS 21 HA CYS 21 -1.580 -0.402 -0.033
148 1HB CYS 21 2HB CYS 21 0.506 -0.734 -1.057
149 2HB CYS 21 1HB CYS 21 1.266 -1.315 0.419
150 H SER 22 H SER 22 -3.185 -0.986 1.259
151 HA SER 22 HA SER 22 -2.723 -2.791 3.490
152 1HB SER 22 2HB SER 22 -4.365 -0.950 3.748
153 2HB SER 22 1HB SER 22 -5.297 -1.597 2.399
154 HG SER 22 HG SER 22 -5.703 -3.446 3.624
155 H TYR 23 H TYR 23 -1.861 -4.410 2.154
156 HA TYR 23 HA TYR 23 -2.518 -5.655 -0.038
157 1HB TYR 23 2HB TYR 23 -0.859 -6.472 1.624
158 2HB TYR 23 1HB TYR 23 -2.175 -7.199 2.537
159 HD1 TYR 23 1HD TYR 23 -1.053 -7.153 -1.035
160 HD2 TYR 23 2HD TYR 23 -2.363 -9.478 2.279
161 HE1 TYR 23 1HE TYR 23 -0.864 -9.190 -2.396
162 HE2 TYR 23 2HE TYR 23 -2.175 -11.522 0.925
163 HH TYR 23 HH TYR 23 -0.479 -11.796 -1.771
164 HA PRO 24 HA PRO 24 -3.070 -6.222 -1.409
165 1HB PRO 24 2HB PRO 24 -4.569 -7.169 -3.393
166 2HB PRO 24 1HB PRO 24 -3.858 -8.260 -2.198
167 1HG PRO 24 2HG PRO 24 -6.675 -7.466 -2.561
168 2HG PRO 24 1HG PRO 24 -6.007 -8.888 -1.743
169 1HD PRO 24 2HD PRO 24 -6.859 -6.341 -0.593
170 2HD PRO 24 1HD PRO 24 -6.415 -7.849 0.239
171 H VAL 25 H VAL 25 -4.674 -3.909 -0.422
172 HA VAL 25 HA VAL 25 -5.137 -2.658 -3.049
173 HB VAL 25 HB VAL 25 -7.038 -2.060 -0.815
174 1HG1 VAL 25 1HG1 VAL 25 -6.648 -1.181 -3.524
175 2HG1 VAL 25 2HG1 VAL 25 -7.663 -0.500 -2.253
176 3HG1 VAL 25 3HG1 VAL 25 -8.285 -1.791 -3.281
177 1HG2 VAL 25 1HG2 VAL 25 -7.879 -4.135 -0.974
178 2HG2 VAL 25 2HG2 VAL 25 -7.018 -4.468 -2.476
179 3HG2 VAL 25 3HG2 VAL 25 -8.542 -3.583 -2.512
180 H CYS 26 H CYS 26 -4.512 -0.572 -3.176
181 HA CYS 26 HA CYS 26 -3.040 0.530 -0.952
182 1HB CYS 26 2HB CYS 26 -3.461 1.590 -3.752
183 2HB CYS 26 1HB CYS 26 -2.263 2.130 -2.594
184 H LYS 27 H LYS 27 -3.795 2.110 0.357
185 HA LYS 27 HA LYS 27 -5.876 3.900 -0.580
186 1HB LYS 27 2HB LYS 27 -7.168 2.030 0.304
187 2HB LYS 27 1HB LYS 27 -6.246 2.061 1.796
188 1HG LYS 27 2HG LYS 27 -8.254 3.071 2.360
189 2HG LYS 27 1HG LYS 27 -7.166 4.431 2.099
190 1HD LYS 27 2HD LYS 27 -8.932 3.403 -0.100
191 2HD LYS 27 1HD LYS 27 -9.539 4.542 1.100
192 1HE LYS 27 2HE LYS 27 -7.257 4.954 -0.824
193 2HE LYS 27 1HE LYS 27 -8.817 5.771 -0.826
194 1HZ LYS 27 1HZ LYS 27 -7.521 7.313 0.216
195 2HZ LYS 27 2HZ LYS 27 -6.504 6.166 0.939
196 3HZ LYS 27 3HZ LYS 27 -8.054 6.446 1.567
Start of MODEL 13
1 1H SER 1 1HT SER 1 1.180 14.882 0.705
2 2H SER 1 2HT SER 1 2.506 13.920 1.131
3 3H SER 1 3HT SER 1 1.607 14.701 2.333
4 HA SER 1 HA SER 1 1.266 12.157 1.645
5 1HB SER 1 2HB SER 1 -1.059 13.847 2.521
6 2HB SER 1 1HB SER 1 -0.506 12.295 3.158
7 HG SER 1 HG SER 1 -0.010 14.124 4.524
8 H ALA 2 H ALA 2 1.399 12.970 -0.909
9 HA ALA 2 HA ALA 2 -1.110 13.476 -2.135
10 1HB ALA 2 1HB ALA 2 0.024 13.165 -4.224
11 2HB ALA 2 2HB ALA 2 1.358 12.327 -3.431
12 3HB ALA 2 3HB ALA 2 1.101 14.047 -3.138
13 H ILE 3 H ILE 3 -2.674 12.112 -2.637
14 HA ILE 3 HA ILE 3 -2.443 9.337 -1.987
15 HB ILE 3 HB ILE 3 -4.818 10.628 -3.314
16 1HG1 ILE 3 2HG1 ILE 3 -4.250 10.550 -0.342
17 2HG1 ILE 3 1HG1 ILE 3 -4.044 11.981 -1.346
18 1HG2 ILE 3 1HG2 ILE 3 -6.076 8.922 -2.119
19 2HG2 ILE 3 2HG2 ILE 3 -4.598 8.349 -1.344
20 3HG2 ILE 3 3HG2 ILE 3 -4.805 8.173 -3.088
21 1HD1 ILE 3 1HD1 ILE 3 -6.656 10.528 -1.023
22 2HD1 ILE 3 2HD1 ILE 3 -6.380 12.095 -1.784
23 3HD1 ILE 3 3HD1 ILE 3 -6.161 11.910 -0.045
24 H SER 4 H SER 4 -0.641 9.464 -3.850
25 HA SER 4 HA SER 4 -1.652 9.171 -6.517
26 1HB SER 4 2HB SER 4 1.080 8.611 -5.348
27 2HB SER 4 1HB SER 4 0.688 8.718 -7.056
28 HG SER 4 HG SER 4 0.598 10.833 -6.928
29 H CYS 5 H CYS 5 -2.928 7.379 -4.858
30 HA CYS 5 HA CYS 5 -1.845 4.797 -5.715
31 1HB CYS 5 2HB CYS 5 -3.084 5.670 -3.135
32 2HB CYS 5 1HB CYS 5 -3.311 4.013 -3.670
33 H GLY 6 H GLY 6 -4.845 4.621 -4.166
34 1HA GLY 6 2HA GLY 6 -6.989 4.264 -4.902
35 2HA GLY 6 1HA GLY 6 -6.595 5.269 -6.289
36 H GLU 7 H GLU 7 -5.047 2.247 -5.321
37 HA GLU 7 HA GLU 7 -6.367 0.776 -7.433
38 1HB GLU 7 2HB GLU 7 -4.287 0.134 -8.553
39 2HB GLU 7 1HB GLU 7 -4.529 1.876 -8.631
40 1HG GLU 7 2HG GLU 7 -2.929 2.229 -6.888
41 2HG GLU 7 1HG GLU 7 -2.770 0.497 -6.619
42 H THR 8 H THR 8 -5.456 -1.485 -7.539
43 HA THR 8 HA THR 8 -5.354 -2.544 -4.854
44 HB THR 8 HB THR 8 -5.301 -4.772 -6.147
45 HG1 THR 8 1HG THR 8 -4.636 -3.556 -8.148
46 1HG2 THR 8 1HG2 THR 8 -7.492 -4.748 -5.729
47 2HG2 THR 8 2HG2 THR 8 -7.774 -3.656 -7.085
48 3HG2 THR 8 3HG2 THR 8 -7.394 -3.003 -5.490
49 H CYS 9 H CYS 9 -3.698 -3.886 -4.041
50 HA CYS 9 HA CYS 9 -1.227 -4.118 -5.530
51 1HB CYS 9 2HB CYS 9 -0.903 -1.946 -4.619
52 2HB CYS 9 1HB CYS 9 -1.517 -2.431 -3.046
53 H PHE 10 H PHE 10 -1.284 -6.288 -5.361
54 HA PHE 10 HA PHE 10 -1.786 -7.616 -2.859
55 1HB PHE 10 2HB PHE 10 -1.092 -8.610 -5.622
56 2HB PHE 10 1HB PHE 10 -1.283 -9.679 -4.244
57 HD1 PHE 10 1HD PHE 10 -3.289 -10.765 -4.134
58 HD2 PHE 10 2HD PHE 10 -3.176 -6.840 -5.775
59 HE1 PHE 10 1HE PHE 10 -5.708 -10.876 -4.560
60 HE2 PHE 10 2HE PHE 10 -5.595 -6.943 -6.200
61 HZ PHE 10 HZ PHE 10 -6.865 -8.964 -5.593
62 H LYS 11 H LYS 11 0.268 -6.129 -2.218
63 HA LYS 11 HA LYS 11 2.257 -7.869 -1.352
64 1HB LYS 11 2HB LYS 11 2.743 -7.760 -3.897
65 2HB LYS 11 1HB LYS 11 3.365 -6.151 -3.557
66 1HG LYS 11 2HG LYS 11 5.120 -6.972 -2.266
67 2HG LYS 11 1HG LYS 11 4.345 -8.540 -2.042
68 1HD LYS 11 2HD LYS 11 5.135 -7.601 -4.775
69 2HD LYS 11 1HD LYS 11 6.322 -8.340 -3.701
70 1HE LYS 11 2HE LYS 11 5.385 -10.019 -5.172
71 2HE LYS 11 1HE LYS 11 4.886 -10.332 -3.513
72 1HZ LYS 11 1HZ LYS 11 3.077 -10.612 -5.127
73 2HZ LYS 11 2HZ LYS 11 3.206 -8.980 -5.558
74 3HZ LYS 11 3HZ LYS 11 2.723 -9.407 -3.990
75 H PHE 12 H PHE 12 3.993 -5.235 -2.377
76 HA PHE 12 HA PHE 12 3.059 -3.344 -0.402
77 1HB PHE 12 2HB PHE 12 4.569 -5.006 0.808
78 2HB PHE 12 1HB PHE 12 5.889 -4.373 -0.172
79 HD1 PHE 12 1HD PHE 12 7.255 -3.262 1.342
80 HD2 PHE 12 2HD PHE 12 3.058 -2.554 1.397
81 HE1 PHE 12 1HE PHE 12 7.587 -1.442 2.964
82 HE2 PHE 12 2HE PHE 12 3.383 -0.734 3.018
83 HZ PHE 12 HZ PHE 12 5.649 -0.175 3.806
84 H LYS 13 H LYS 13 2.809 -2.564 -2.758
85 HA LYS 13 HA LYS 13 5.275 -1.585 -3.917
86 1HB LYS 13 2HB LYS 13 3.605 -2.519 -5.422
87 2HB LYS 13 1HB LYS 13 2.419 -1.339 -4.870
88 1HG LYS 13 2HG LYS 13 3.608 0.453 -5.880
89 2HG LYS 13 1HG LYS 13 5.000 -0.577 -6.219
90 1HD LYS 13 2HD LYS 13 3.681 -0.184 -8.237
91 2HD LYS 13 1HD LYS 13 3.655 -1.890 -7.786
92 1HE LYS 13 2HE LYS 13 1.445 -1.220 -8.447
93 2HE LYS 13 1HE LYS 13 1.452 -1.533 -6.716
94 1HZ LYS 13 1HZ LYS 13 1.911 1.216 -7.621
95 2HZ LYS 13 2HZ LYS 13 1.130 0.655 -6.229
96 3HZ LYS 13 3HZ LYS 13 0.334 0.594 -7.734
97 H CYS 14 H CYS 14 2.278 -0.192 -2.666
98 HA CYS 14 HA CYS 14 3.396 2.478 -2.861
99 1HB CYS 14 2HB CYS 14 0.755 1.799 -1.599
100 2HB CYS 14 1HB CYS 14 1.232 3.268 -2.442
101 H TYR 15 H TYR 15 4.045 3.724 -1.174
102 HA TYR 15 HA TYR 15 3.534 2.947 1.555
103 1HB TYR 15 2HB TYR 15 6.129 3.155 1.982
104 2HB TYR 15 1HB TYR 15 5.418 1.617 1.517
105 HD1 TYR 15 1HD TYR 15 6.450 0.420 -0.150
106 HD2 TYR 15 2HD TYR 15 6.911 4.652 -0.099
107 HE1 TYR 15 1HE TYR 15 7.993 0.270 -2.058
108 HE2 TYR 15 2HE TYR 15 8.452 4.512 -2.011
109 HH TYR 15 HH TYR 15 8.896 1.589 -3.799
110 H THR 16 H THR 16 3.061 5.116 -0.329
111 HA THR 16 HA THR 16 4.542 7.395 0.710
112 HB THR 16 HB THR 16 2.141 7.679 -1.068
113 HG1 THR 16 1HG THR 16 3.340 6.987 -2.866
114 1HG2 THR 16 1HG2 THR 16 3.829 9.210 -2.255
115 2HG2 THR 16 2HG2 THR 16 4.842 8.981 -0.830
116 3HG2 THR 16 3HG2 THR 16 3.245 9.714 -0.667
117 HA PRO 17 HA PRO 17 1.584 8.243 3.950
118 1HB PRO 17 2HB PRO 17 1.344 11.007 3.663
119 2HB PRO 17 1HB PRO 17 2.568 10.180 4.629
120 1HG PRO 17 2HG PRO 17 2.771 11.312 1.879
121 2HG PRO 17 1HG PRO 17 3.980 11.282 3.174
122 1HD PRO 17 2HD PRO 17 4.117 9.609 1.079
123 2HD PRO 17 1HD PRO 17 4.606 9.100 2.709
124 H ARG 18 H ARG 18 -0.446 7.640 3.651
125 HA ARG 18 HA ARG 18 -2.628 7.579 3.079
126 1HB ARG 18 2HB ARG 18 -2.639 10.034 3.374
127 2HB ARG 18 1HB ARG 18 -2.134 10.224 1.705
128 1HG ARG 18 2HG ARG 18 -4.603 10.559 2.234
129 2HG ARG 18 1HG ARG 18 -4.204 9.509 0.873
130 1HD ARG 18 2HD ARG 18 -5.917 8.425 2.107
131 2HD ARG 18 1HD ARG 18 -4.420 7.557 2.435
132 HE ARG 18 HE ARG 18 -5.214 9.605 4.346
133 1HH1 ARG 18 1HH1 ARG 18 -4.935 6.199 3.534
134 2HH1 ARG 18 2HH1 ARG 18 -5.303 5.666 5.149
135 1HH2 ARG 18 1HH2 ARG 18 -5.745 8.886 6.469
136 2HH2 ARG 18 2HH2 ARG 18 -5.775 7.187 6.811
137 H CYS 19 H CYS 19 -0.390 6.599 1.563
138 HA CYS 19 HA CYS 19 -1.802 5.692 -0.786
139 1HB CYS 19 2HB CYS 19 -0.564 7.781 -1.496
140 2HB CYS 19 1HB CYS 19 0.932 6.982 -1.040
141 H SER 20 H SER 20 -1.442 4.264 1.349
142 HA SER 20 HA SER 20 1.097 2.820 1.188
143 1HB SER 20 2HB SER 20 -0.641 1.889 3.276
144 2HB SER 20 1HB SER 20 0.917 2.709 3.415
145 HG SER 20 HG SER 20 -1.637 3.940 3.107
146 H CYS 21 H CYS 21 1.266 0.717 0.642
147 HA CYS 21 HA CYS 21 -0.958 -0.503 -0.706
148 1HB CYS 21 2HB CYS 21 1.231 -0.846 -1.653
149 2HB CYS 21 1HB CYS 21 1.854 -1.485 -0.139
150 H SER 22 H SER 22 -2.465 -0.695 0.962
151 HA SER 22 HA SER 22 -1.868 -2.382 3.225
152 1HB SER 22 2HB SER 22 -4.371 -0.901 2.366
153 2HB SER 22 1HB SER 22 -4.173 -1.767 3.882
154 HG SER 22 HG SER 22 -3.180 0.689 3.104
155 H TYR 23 H TYR 23 -1.404 -4.178 1.890
156 HA TYR 23 HA TYR 23 -2.518 -5.499 -0.043
157 1HB TYR 23 2HB TYR 23 -0.756 -6.427 1.387
158 2HB TYR 23 1HB TYR 23 -1.948 -6.793 2.627
159 HD1 TYR 23 1HD TYR 23 -1.545 -7.418 -1.043
160 HD2 TYR 23 2HD TYR 23 -2.538 -9.010 2.773
161 HE1 TYR 23 1HE TYR 23 -1.921 -9.620 -2.066
162 HE2 TYR 23 2HE TYR 23 -2.915 -11.217 1.760
163 HH TYR 23 HH TYR 23 -2.808 -12.434 -0.099
164 HA PRO 24 HA PRO 24 -3.343 -6.067 -1.281
165 1HB PRO 24 2HB PRO 24 -5.227 -6.870 -2.966
166 2HB PRO 24 1HB PRO 24 -4.548 -7.994 -1.781
167 1HG PRO 24 2HG PRO 24 -7.211 -6.698 -1.834
168 2HG PRO 24 1HG PRO 24 -6.717 -8.217 -1.070
169 1HD PRO 24 2HD PRO 24 -6.957 -5.587 0.129
170 2HD PRO 24 1HD PRO 24 -6.574 -7.133 0.919
171 H VAL 25 H VAL 25 -4.562 -3.496 -0.215
172 HA VAL 25 HA VAL 25 -5.083 -2.292 -2.855
173 HB VAL 25 HB VAL 25 -6.747 -1.454 -0.507
174 1HG1 VAL 25 1HG1 VAL 25 -6.518 -0.704 -3.309
175 2HG1 VAL 25 2HG1 VAL 25 -7.163 0.196 -1.937
176 3HG1 VAL 25 3HG1 VAL 25 -8.178 -0.976 -2.778
177 1HG2 VAL 25 1HG2 VAL 25 -7.876 -3.237 -2.625
178 2HG2 VAL 25 2HG2 VAL 25 -8.490 -2.896 -1.007
179 3HG2 VAL 25 3HG2 VAL 25 -7.077 -3.931 -1.214
180 H CYS 26 H CYS 26 -4.278 -0.272 -3.110
181 HA CYS 26 HA CYS 26 -2.584 0.760 -0.991
182 1HB CYS 26 2HB CYS 26 -2.950 1.403 -3.909
183 2HB CYS 26 1HB CYS 26 -1.987 2.413 -2.854
184 H LYS 27 H LYS 27 -3.467 2.099 0.469
185 HA LYS 27 HA LYS 27 -5.090 4.335 -0.418
186 1HB LYS 27 2HB LYS 27 -6.677 2.430 -0.030
187 2HB LYS 27 1HB LYS 27 -6.154 2.391 1.646
188 1HG LYS 27 2HG LYS 27 -8.268 3.552 1.412
189 2HG LYS 27 1HG LYS 27 -7.008 4.652 1.974
190 1HD LYS 27 2HD LYS 27 -6.729 5.454 -0.349
191 2HD LYS 27 1HD LYS 27 -8.061 4.408 -0.845
192 1HE LYS 27 2HE LYS 27 -8.207 6.679 1.133
193 2HE LYS 27 1HE LYS 27 -8.841 6.687 -0.511
194 1HZ LYS 27 1HZ LYS 27 -9.995 5.617 1.878
195 2HZ LYS 27 2HZ LYS 27 -9.968 4.483 0.627
196 3HZ LYS 27 3HZ LYS 27 -10.729 5.977 0.396
Start of MODEL 14
1 1H SER 1 1HT SER 1 4.954 13.439 -4.326
2 2H SER 1 2HT SER 1 4.417 13.440 -2.720
3 3H SER 1 3HT SER 1 4.206 14.814 -3.683
4 HA SER 1 HA SER 1 2.387 14.030 -4.678
5 1HB SER 1 2HB SER 1 3.465 11.215 -4.424
6 2HB SER 1 1HB SER 1 2.259 11.813 -5.568
7 HG SER 1 HG SER 1 4.066 11.825 -6.752
8 H ALA 2 H ALA 2 0.391 13.492 -3.812
9 HA ALA 2 HA ALA 2 0.389 12.857 -0.981
10 1HB ALA 2 1HB ALA 2 -0.979 14.718 -1.888
11 2HB ALA 2 2HB ALA 2 -1.931 13.518 -1.013
12 3HB ALA 2 3HB ALA 2 -1.940 13.534 -2.777
13 H ILE 3 H ILE 3 -2.502 11.807 -1.680
14 HA ILE 3 HA ILE 3 -1.844 9.048 -1.451
15 HB ILE 3 HB ILE 3 -4.598 10.072 -2.089
16 1HG1 ILE 3 2HG1 ILE 3 -3.293 10.039 0.644
17 2HG1 ILE 3 1HG1 ILE 3 -3.632 11.490 -0.291
18 1HG2 ILE 3 1HG2 ILE 3 -3.520 7.736 -0.517
19 2HG2 ILE 3 2HG2 ILE 3 -4.409 7.688 -2.039
20 3HG2 ILE 3 3HG2 ILE 3 -5.223 8.189 -0.557
21 1HD1 ILE 3 1HD1 ILE 3 -5.268 10.358 1.594
22 2HD1 ILE 3 2HD1 ILE 3 -5.977 9.815 0.072
23 3HD1 ILE 3 3HD1 ILE 3 -5.752 11.538 0.375
24 H SER 4 H SER 4 -0.581 9.560 -3.650
25 HA SER 4 HA SER 4 -2.112 9.366 -6.046
26 1HB SER 4 2HB SER 4 0.846 8.973 -5.555
27 2HB SER 4 1HB SER 4 0.075 9.239 -7.112
28 HG SER 4 HG SER 4 -0.704 11.266 -6.173
29 H CYS 5 H CYS 5 -3.112 7.351 -4.718
30 HA CYS 5 HA CYS 5 -1.870 4.954 -5.849
31 1HB CYS 5 2HB CYS 5 -3.343 5.262 -3.224
32 2HB CYS 5 1HB CYS 5 -2.755 3.750 -3.885
33 H GLY 6 H GLY 6 -4.697 4.342 -4.160
34 1HA GLY 6 2HA GLY 6 -6.908 4.061 -4.740
35 2HA GLY 6 1HA GLY 6 -6.621 5.094 -6.130
36 H GLU 7 H GLU 7 -5.048 2.032 -5.295
37 HA GLU 7 HA GLU 7 -6.536 0.570 -7.272
38 1HB GLU 7 2HB GLU 7 -4.615 -0.043 -8.659
39 2HB GLU 7 1HB GLU 7 -4.926 1.685 -8.726
40 1HG GLU 7 2HG GLU 7 -3.068 2.152 -7.313
41 2HG GLU 7 1HG GLU 7 -2.839 0.440 -6.956
42 H THR 8 H THR 8 -5.239 -1.644 -7.593
43 HA THR 8 HA THR 8 -5.123 -2.781 -4.946
44 HB THR 8 HB THR 8 -4.713 -4.929 -6.266
45 HG1 THR 8 1HG THR 8 -4.112 -3.401 -8.184
46 1HG2 THR 8 1HG2 THR 8 -7.204 -4.036 -7.416
47 2HG2 THR 8 2HG2 THR 8 -7.046 -3.470 -5.753
48 3HG2 THR 8 3HG2 THR 8 -6.925 -5.192 -6.113
49 H CYS 9 H CYS 9 -3.355 -4.157 -4.205
50 HA CYS 9 HA CYS 9 -0.804 -3.784 -5.510
51 1HB CYS 9 2HB CYS 9 0.328 -3.040 -3.453
52 2HB CYS 9 1HB CYS 9 -0.851 -1.868 -4.018
53 H PHE 10 H PHE 10 -0.451 -5.835 -5.863
54 HA PHE 10 HA PHE 10 -1.072 -7.942 -4.055
55 1HB PHE 10 2HB PHE 10 0.532 -7.784 -6.600
56 2HB PHE 10 1HB PHE 10 0.447 -9.265 -5.661
57 HD1 PHE 10 1HD PHE 10 -2.063 -6.697 -6.708
58 HD2 PHE 10 2HD PHE 10 -0.941 -10.802 -6.628
59 HE1 PHE 10 1HE PHE 10 -4.173 -7.291 -7.823
60 HE2 PHE 10 2HE PHE 10 -3.049 -11.402 -7.745
61 HZ PHE 10 HZ PHE 10 -4.667 -9.646 -8.344
62 H LYS 11 H LYS 11 1.333 -5.662 -4.198
63 HA LYS 11 HA LYS 11 2.961 -7.079 -2.223
64 1HB LYS 11 2HB LYS 11 4.061 -5.435 -4.526
65 2HB LYS 11 1HB LYS 11 5.015 -6.084 -3.199
66 1HG LYS 11 2HG LYS 11 3.555 -7.644 -5.320
67 2HG LYS 11 1HG LYS 11 5.301 -7.493 -5.109
68 1HD LYS 11 2HD LYS 11 5.306 -8.824 -3.190
69 2HD LYS 11 1HD LYS 11 3.574 -8.611 -2.929
70 1HE LYS 11 2HE LYS 11 3.329 -9.836 -5.196
71 2HE LYS 11 1HE LYS 11 4.988 -10.359 -4.906
72 1HZ LYS 11 1HZ LYS 11 2.670 -10.820 -3.103
73 2HZ LYS 11 2HZ LYS 11 4.263 -11.294 -2.783
74 3HZ LYS 11 3HZ LYS 11 3.422 -11.986 -4.077
75 H PHE 12 H PHE 12 4.034 -5.566 -0.754
76 HA PHE 12 HA PHE 12 2.364 -3.272 -0.254
77 1HB PHE 12 2HB PHE 12 4.701 -4.445 1.258
78 2HB PHE 12 1HB PHE 12 3.823 -3.017 1.787
79 HD1 PHE 12 1HD PHE 12 2.302 -3.364 3.443
80 HD2 PHE 12 2HD PHE 12 2.990 -6.481 0.629
81 HE1 PHE 12 1HE PHE 12 0.700 -4.793 4.642
82 HE2 PHE 12 2HE PHE 12 1.385 -7.915 1.820
83 HZ PHE 12 HZ PHE 12 0.239 -7.072 3.829
84 H LYS 13 H LYS 13 3.281 -2.548 -2.468
85 HA LYS 13 HA LYS 13 5.690 -0.974 -1.996
86 1HB LYS 13 2HB LYS 13 5.763 -2.476 -3.944
87 2HB LYS 13 1HB LYS 13 4.369 -1.651 -4.627
88 1HG LYS 13 2HG LYS 13 5.584 0.255 -5.137
89 2HG LYS 13 1HG LYS 13 6.854 -0.122 -3.972
90 1HD LYS 13 2HD LYS 13 6.322 -1.736 -6.462
91 2HD LYS 13 1HD LYS 13 7.506 -0.430 -6.369
92 1HE LYS 13 2HE LYS 13 7.493 -2.939 -4.691
93 2HE LYS 13 1HE LYS 13 8.560 -2.614 -6.058
94 1HZ LYS 13 1HZ LYS 13 9.893 -1.363 -4.800
95 2HZ LYS 13 2HZ LYS 13 9.125 -2.066 -3.470
96 3HZ LYS 13 3HZ LYS 13 8.615 -0.556 -4.038
97 H CYS 14 H CYS 14 2.440 -0.577 -1.840
98 HA CYS 14 HA CYS 14 2.401 2.113 -2.938
99 1HB CYS 14 2HB CYS 14 0.307 0.358 -1.688
100 2HB CYS 14 1HB CYS 14 0.026 2.083 -1.900
101 H TYR 15 H TYR 15 4.281 2.292 -1.274
102 HA TYR 15 HA TYR 15 3.278 3.115 1.348
103 1HB TYR 15 2HB TYR 15 5.868 3.396 1.710
104 2HB TYR 15 1HB TYR 15 5.136 1.797 1.741
105 HD1 TYR 15 1HD TYR 15 6.142 0.120 0.514
106 HD2 TYR 15 2HD TYR 15 6.700 4.162 -0.711
107 HE1 TYR 15 1HE TYR 15 7.699 -0.626 -1.239
108 HE2 TYR 15 2HE TYR 15 8.247 3.420 -2.472
109 HH TYR 15 HH TYR 15 9.577 1.634 -3.119
110 H THR 16 H THR 16 2.670 4.587 -0.983
111 HA THR 16 HA THR 16 4.268 6.893 -1.323
112 HB THR 16 HB THR 16 1.296 6.869 -1.777
113 HG1 THR 16 1HG THR 16 1.537 5.536 -3.536
114 1HG2 THR 16 1HG2 THR 16 1.942 8.027 -3.860
115 2HG2 THR 16 2HG2 THR 16 3.637 7.894 -3.391
116 3HG2 THR 16 3HG2 THR 16 2.527 8.866 -2.423
117 HA PRO 17 HA PRO 17 3.410 9.232 2.367
118 1HB PRO 17 2HB PRO 17 2.959 11.502 0.478
119 2HB PRO 17 1HB PRO 17 3.970 11.429 1.927
120 1HG PRO 17 2HG PRO 17 5.065 11.306 -0.495
121 2HG PRO 17 1HG PRO 17 5.684 10.313 0.837
122 1HD PRO 17 2HD PRO 17 4.024 9.521 -1.507
123 2HD PRO 17 1HD PRO 17 5.266 8.598 -0.637
124 H ARG 18 H ARG 18 1.570 9.080 3.418
125 HA ARG 18 HA ARG 18 -0.575 9.311 4.082
126 1HB ARG 18 2HB ARG 18 -0.317 11.607 3.075
127 2HB ARG 18 1HB ARG 18 -1.017 10.964 1.603
128 1HG ARG 18 2HG ARG 18 -2.705 12.132 2.851
129 2HG ARG 18 1HG ARG 18 -3.069 10.406 2.866
130 1HD ARG 18 2HD ARG 18 -2.115 10.209 5.097
131 2HD ARG 18 1HD ARG 18 -1.687 11.918 5.080
132 HE ARG 18 HE ARG 18 -4.199 10.807 5.758
133 1HH1 ARG 18 1HH1 ARG 18 -2.773 13.578 4.157
134 2HH1 ARG 18 2HH1 ARG 18 -4.132 14.611 4.451
135 1HH2 ARG 18 1HH2 ARG 18 -5.996 12.172 6.151
136 2HH2 ARG 18 2HH2 ARG 18 -5.968 13.809 5.586
137 H CYS 19 H CYS 19 0.374 7.184 2.363
138 HA CYS 19 HA CYS 19 -2.188 6.063 1.616
139 1HB CYS 19 2HB CYS 19 -1.575 6.992 -0.516
140 2HB CYS 19 1HB CYS 19 0.079 6.414 -0.359
141 H SER 20 H SER 20 -2.210 3.830 1.790
142 HA SER 20 HA SER 20 0.337 2.528 2.421
143 1HB SER 20 2HB SER 20 -1.369 1.303 4.171
144 2HB SER 20 1HB SER 20 -0.226 2.576 4.589
145 HG SER 20 HG SER 20 -2.690 3.394 3.571
146 H CYS 21 H CYS 21 0.554 0.494 1.783
147 HA CYS 21 HA CYS 21 -1.468 -0.508 -0.016
148 1HB CYS 21 2HB CYS 21 0.757 -0.821 -0.819
149 2HB CYS 21 1HB CYS 21 1.292 -1.545 0.693
150 H SER 22 H SER 22 -3.175 -1.019 1.234
151 HA SER 22 HA SER 22 -2.900 -2.833 3.465
152 1HB SER 22 2HB SER 22 -5.363 -1.607 2.192
153 2HB SER 22 1HB SER 22 -5.281 -2.417 3.746
154 HG SER 22 HG SER 22 -4.100 0.043 3.013
155 H TYR 23 H TYR 23 -1.984 -4.440 2.074
156 HA TYR 23 HA TYR 23 -2.604 -5.676 -0.121
157 1HB TYR 23 2HB TYR 23 -1.031 -6.500 1.654
158 2HB TYR 23 1HB TYR 23 -2.405 -7.280 2.428
159 HD1 TYR 23 1HD TYR 23 -1.310 -7.048 -1.139
160 HD2 TYR 23 2HD TYR 23 -2.230 -9.569 2.161
161 HE1 TYR 23 1HE TYR 23 -0.964 -9.022 -2.558
162 HE2 TYR 23 2HE TYR 23 -1.886 -11.552 0.748
163 HH TYR 23 HH TYR 23 -1.986 -12.076 -1.752
164 HA PRO 24 HA PRO 24 -3.146 -6.148 -1.516
165 1HB PRO 24 2HB PRO 24 -4.604 -7.019 -3.561
166 2HB PRO 24 1HB PRO 24 -3.938 -8.155 -2.381
167 1HG PRO 24 2HG PRO 24 -6.737 -7.305 -2.787
168 2HG PRO 24 1HG PRO 24 -6.111 -8.766 -2.007
169 1HD PRO 24 2HD PRO 24 -6.952 -6.253 -0.782
170 2HD PRO 24 1HD PRO 24 -6.544 -7.795 0.002
171 H VAL 25 H VAL 25 -4.732 -3.853 -0.488
172 HA VAL 25 HA VAL 25 -5.180 -2.525 -3.081
173 HB VAL 25 HB VAL 25 -7.052 -1.949 -0.821
174 1HG1 VAL 25 1HG1 VAL 25 -7.715 -0.375 -2.222
175 2HG1 VAL 25 2HG1 VAL 25 -8.300 -1.642 -3.298
176 3HG1 VAL 25 3HG1 VAL 25 -6.670 -1.001 -3.496
177 1HG2 VAL 25 1HG2 VAL 25 -8.464 -3.658 -1.239
178 2HG2 VAL 25 2HG2 VAL 25 -7.008 -4.452 -1.840
179 3HG2 VAL 25 3HG2 VAL 25 -8.110 -3.661 -2.968
180 H CYS 26 H CYS 26 -4.504 -0.471 -3.178
181 HA CYS 26 HA CYS 26 -3.009 0.597 -0.950
182 1HB CYS 26 2HB CYS 26 -3.431 1.817 -3.677
183 2HB CYS 26 1HB CYS 26 -2.118 2.103 -2.555
184 H LYS 27 H LYS 27 -3.822 2.076 0.422
185 HA LYS 27 HA LYS 27 -5.780 4.000 -0.508
186 1HB LYS 27 2HB LYS 27 -7.247 2.210 0.177
187 2HB LYS 27 1HB LYS 27 -6.371 1.999 1.685
188 1HG LYS 27 2HG LYS 27 -7.572 4.658 1.180
189 2HG LYS 27 1HG LYS 27 -8.670 3.322 1.527
190 1HD LYS 27 2HD LYS 27 -7.894 3.062 3.670
191 2HD LYS 27 1HD LYS 27 -6.289 3.682 3.278
192 1HE LYS 27 2HE LYS 27 -8.802 5.340 3.470
193 2HE LYS 27 1HE LYS 27 -7.568 5.212 4.724
194 1HZ LYS 27 1HZ LYS 27 -6.182 5.873 2.448
195 2HZ LYS 27 2HZ LYS 27 -6.580 6.915 3.724
196 3HZ LYS 27 3HZ LYS 27 -7.585 6.821 2.370
Start of MODEL 15
1 1H SER 1 1HT SER 1 -5.067 8.131 0.214
2 2H SER 1 2HT SER 1 -3.570 8.505 0.902
3 3H SER 1 3HT SER 1 -3.658 7.965 -0.700
4 HA SER 1 HA SER 1 -5.310 10.121 -0.672
5 1HB SER 1 2HB SER 1 -2.800 10.693 0.925
6 2HB SER 1 1HB SER 1 -3.964 11.898 0.376
7 HG SER 1 HG SER 1 -4.924 11.497 2.198
8 H ALA 2 H ALA 2 -1.891 9.163 -0.941
9 HA ALA 2 HA ALA 2 -1.222 10.915 -3.037
10 1HB ALA 2 1HB ALA 2 0.569 9.962 -1.862
11 2HB ALA 2 2HB ALA 2 0.627 9.217 -3.460
12 3HB ALA 2 3HB ALA 2 -0.040 8.323 -2.095
13 H ILE 3 H ILE 3 -0.564 10.151 -5.253
14 HA ILE 3 HA ILE 3 -2.758 9.325 -6.719
15 HB ILE 3 HB ILE 3 0.144 9.106 -7.531
16 1HG1 ILE 3 2HG1 ILE 3 -0.455 11.378 -6.831
17 2HG1 ILE 3 1HG1 ILE 3 -0.193 11.309 -8.570
18 1HG2 ILE 3 1HG2 ILE 3 -1.329 7.806 -8.982
19 2HG2 ILE 3 2HG2 ILE 3 -0.678 9.212 -9.827
20 3HG2 ILE 3 3HG2 ILE 3 -2.340 9.229 -9.238
21 1HD1 ILE 3 1HD1 ILE 3 -2.080 12.588 -8.459
22 2HD1 ILE 3 2HD1 ILE 3 -2.707 11.741 -7.045
23 3HD1 ILE 3 3HD1 ILE 3 -2.790 10.983 -8.635
24 H SER 4 H SER 4 0.025 7.397 -5.634
25 HA SER 4 HA SER 4 -0.840 4.986 -6.866
26 1HB SER 4 2HB SER 4 1.095 5.320 -4.575
27 2HB SER 4 1HB SER 4 1.019 4.009 -5.741
28 HG SER 4 HG SER 4 1.476 5.643 -7.367
29 H CYS 5 H CYS 5 -3.011 5.881 -5.521
30 HA CYS 5 HA CYS 5 -3.256 4.020 -3.250
31 1HB CYS 5 2HB CYS 5 -3.918 6.849 -3.468
32 2HB CYS 5 1HB CYS 5 -5.286 5.881 -2.945
33 H GLY 6 H GLY 6 -4.794 5.476 -6.043
34 1HA GLY 6 2HA GLY 6 -7.204 3.920 -5.816
35 2HA GLY 6 1HA GLY 6 -6.754 4.960 -7.159
36 H GLU 7 H GLU 7 -5.138 2.164 -5.718
37 HA GLU 7 HA GLU 7 -5.632 0.556 -8.083
38 1HB GLU 7 2HB GLU 7 -3.259 0.136 -8.509
39 2HB GLU 7 1HB GLU 7 -3.619 1.849 -8.684
40 1HG GLU 7 2HG GLU 7 -2.730 2.260 -6.451
41 2HG GLU 7 1HG GLU 7 -2.362 0.549 -6.280
42 H THR 8 H THR 8 -4.640 -1.626 -7.804
43 HA THR 8 HA THR 8 -4.987 -2.494 -5.043
44 HB THR 8 HB THR 8 -4.882 -4.818 -6.169
45 HG1 THR 8 1HG THR 8 -5.698 -4.449 -8.482
46 1HG2 THR 8 1HG2 THR 8 -7.221 -4.764 -6.705
47 2HG2 THR 8 2HG2 THR 8 -7.171 -3.020 -6.968
48 3HG2 THR 8 3HG2 THR 8 -6.950 -3.674 -5.345
49 H CYS 9 H CYS 9 -3.420 -4.279 -4.307
50 HA CYS 9 HA CYS 9 -0.832 -4.122 -5.561
51 1HB CYS 9 2HB CYS 9 0.305 -3.395 -3.491
52 2HB CYS 9 1HB CYS 9 -0.762 -2.163 -4.152
53 H PHE 10 H PHE 10 -0.543 -6.184 -5.827
54 HA PHE 10 HA PHE 10 -1.331 -8.220 -4.005
55 1HB PHE 10 2HB PHE 10 0.496 -8.215 -6.415
56 2HB PHE 10 1HB PHE 10 0.154 -9.662 -5.484
57 HD1 PHE 10 1HD PHE 10 -1.367 -11.066 -6.446
58 HD2 PHE 10 2HD PHE 10 -1.845 -6.870 -6.969
59 HE1 PHE 10 1HE PHE 10 -3.378 -11.468 -7.805
60 HE2 PHE 10 2HE PHE 10 -3.858 -7.265 -8.326
61 HZ PHE 10 HZ PHE 10 -4.627 -9.566 -8.746
62 H LYS 11 H LYS 11 1.280 -6.106 -4.290
63 HA LYS 11 HA LYS 11 2.730 -7.438 -2.116
64 1HB LYS 11 2HB LYS 11 3.866 -6.164 -4.608
65 2HB LYS 11 1HB LYS 11 4.815 -6.287 -3.137
66 1HG LYS 11 2HG LYS 11 5.466 -8.125 -4.408
67 2HG LYS 11 1HG LYS 11 4.334 -8.792 -3.232
68 1HD LYS 11 2HD LYS 11 2.549 -8.657 -4.953
69 2HD LYS 11 1HD LYS 11 3.759 -8.114 -6.118
70 1HE LYS 11 2HE LYS 11 3.785 -10.748 -4.644
71 2HE LYS 11 1HE LYS 11 3.305 -10.515 -6.324
72 1HZ LYS 11 1HZ LYS 11 6.005 -10.074 -5.170
73 2HZ LYS 11 2HZ LYS 11 5.574 -9.674 -6.755
74 3HZ LYS 11 3HZ LYS 11 5.550 -11.290 -6.256
75 H PHE 12 H PHE 12 4.070 -5.747 -0.893
76 HA PHE 12 HA PHE 12 2.368 -3.472 -0.393
77 1HB PHE 12 2HB PHE 12 4.840 -4.535 0.968
78 2HB PHE 12 1HB PHE 12 4.103 -3.005 1.428
79 HD1 PHE 12 1HD PHE 12 2.833 -6.448 0.672
80 HD2 PHE 12 2HD PHE 12 2.885 -3.139 3.348
81 HE1 PHE 12 1HE PHE 12 1.275 -7.634 2.162
82 HE2 PHE 12 2HE PHE 12 1.328 -4.320 4.843
83 HZ PHE 12 HZ PHE 12 0.521 -6.569 4.251
84 H LYS 13 H LYS 13 2.859 -2.824 -2.620
85 HA LYS 13 HA LYS 13 5.379 -1.486 -3.017
86 1HB LYS 13 2HB LYS 13 4.366 -2.779 -4.845
87 2HB LYS 13 1HB LYS 13 2.968 -1.718 -4.823
88 1HG LYS 13 2HG LYS 13 5.643 -0.508 -5.285
89 2HG LYS 13 1HG LYS 13 4.907 -1.441 -6.586
90 1HD LYS 13 2HD LYS 13 3.615 0.893 -5.168
91 2HD LYS 13 1HD LYS 13 4.406 0.971 -6.744
92 1HE LYS 13 2HE LYS 13 2.781 -0.664 -7.615
93 2HE LYS 13 1HE LYS 13 1.976 -0.676 -6.044
94 1HZ LYS 13 1HZ LYS 13 2.297 1.748 -7.727
95 2HZ LYS 13 2HZ LYS 13 1.391 1.611 -6.309
96 3HZ LYS 13 3HZ LYS 13 0.900 0.788 -7.705
97 H CYS 14 H CYS 14 2.136 -0.614 -2.147
98 HA CYS 14 HA CYS 14 2.638 2.184 -2.717
99 1HB CYS 14 2HB CYS 14 0.250 0.833 -1.453
100 2HB CYS 14 1HB CYS 14 0.350 2.546 -1.844
101 H TYR 15 H TYR 15 3.523 3.523 -1.379
102 HA TYR 15 HA TYR 15 3.039 3.519 1.431
103 1HB TYR 15 2HB TYR 15 5.592 3.428 1.916
104 2HB TYR 15 1HB TYR 15 4.717 1.919 1.704
105 HD1 TYR 15 1HD TYR 15 5.706 0.308 0.395
106 HD2 TYR 15 2HD TYR 15 6.598 4.398 -0.391
107 HE1 TYR 15 1HE TYR 15 7.311 -0.377 -1.338
108 HE2 TYR 15 2HE TYR 15 8.198 3.720 -2.130
109 HH TYR 15 HH TYR 15 8.790 0.291 -2.847
110 H THR 16 H THR 16 2.608 5.201 -0.750
111 HA THR 16 HA THR 16 4.520 7.358 -0.710
112 HB THR 16 HB THR 16 2.156 8.208 -1.969
113 HG1 THR 16 1HG THR 16 2.341 6.005 -3.383
114 1HG2 THR 16 1HG2 THR 16 3.439 7.985 -4.005
115 2HG2 THR 16 2HG2 THR 16 4.543 6.850 -3.227
116 3HG2 THR 16 3HG2 THR 16 4.502 8.536 -2.710
117 HA PRO 17 HA PRO 17 2.831 10.174 2.269
118 1HB PRO 17 2HB PRO 17 1.466 11.802 0.169
119 2HB PRO 17 1HB PRO 17 2.510 12.329 1.495
120 1HG PRO 17 2HG PRO 17 3.441 12.206 -0.995
121 2HG PRO 17 1HG PRO 17 4.452 11.731 0.382
122 1HD PRO 17 2HD PRO 17 3.084 10.030 -1.642
123 2HD PRO 17 1HD PRO 17 4.616 9.760 -0.789
124 H ARG 18 H ARG 18 1.322 9.426 3.518
125 HA ARG 18 HA ARG 18 -0.581 8.576 4.343
126 1HB ARG 18 2HB ARG 18 -1.081 11.121 3.563
127 2HB ARG 18 1HB ARG 18 -2.284 10.255 2.639
128 1HG ARG 18 2HG ARG 18 -2.084 10.698 5.558
129 2HG ARG 18 1HG ARG 18 -3.501 10.692 4.515
130 1HD ARG 18 2HD ARG 18 -1.999 8.203 5.330
131 2HD ARG 18 1HD ARG 18 -3.393 8.831 6.198
132 HE ARG 18 HE ARG 18 -3.392 7.337 3.750
133 1HH1 ARG 18 1HH1 ARG 18 -5.205 9.670 5.639
134 2HH1 ARG 18 2HH1 ARG 18 -6.715 9.292 4.883
135 1HH2 ARG 18 1HH2 ARG 18 -5.365 6.820 2.755
136 2HH2 ARG 18 2HH2 ARG 18 -6.809 7.662 3.245
137 H CYS 19 H CYS 19 0.441 7.030 2.390
138 HA CYS 19 HA CYS 19 -1.967 5.783 1.357
139 1HB CYS 19 2HB CYS 19 -1.078 7.388 -0.427
140 2HB CYS 19 1HB CYS 19 0.324 6.326 -0.537
141 H SER 20 H SER 20 -1.819 3.743 1.934
142 HA SER 20 HA SER 20 0.815 2.455 1.832
143 1HB SER 20 2HB SER 20 -0.274 1.219 3.982
144 2HB SER 20 1HB SER 20 0.841 2.579 4.080
145 HG SER 20 HG SER 20 -1.750 3.364 3.706
146 H CYS 21 H CYS 21 0.889 0.393 1.282
147 HA CYS 21 HA CYS 21 -1.367 -0.579 -0.160
148 1HB CYS 21 2HB CYS 21 0.712 -1.106 -1.142
149 2HB CYS 21 1HB CYS 21 1.377 -1.747 0.356
150 H SER 22 H SER 22 -3.022 -0.965 1.173
151 HA SER 22 HA SER 22 -2.723 -2.690 3.476
152 1HB SER 22 2HB SER 22 -5.287 -1.578 2.324
153 2HB SER 22 1HB SER 22 -4.949 -2.054 3.978
154 HG SER 22 HG SER 22 -3.236 -0.136 3.182
155 H TYR 23 H TYR 23 -1.935 -4.371 2.057
156 HA TYR 23 HA TYR 23 -2.701 -5.642 -0.053
157 1HB TYR 23 2HB TYR 23 -1.090 -6.544 1.588
158 2HB TYR 23 1HB TYR 23 -2.433 -7.124 2.565
159 HD1 TYR 23 1HD TYR 23 -2.662 -9.409 2.452
160 HD2 TYR 23 2HD TYR 23 -1.561 -7.299 -1.073
161 HE1 TYR 23 1HE TYR 23 -2.676 -11.518 1.192
162 HE2 TYR 23 2HE TYR 23 -1.574 -9.402 -2.344
163 HH TYR 23 HH TYR 23 -1.239 -12.019 -1.583
164 HA PRO 24 HA PRO 24 -3.302 -6.134 -1.420
165 1HB PRO 24 2HB PRO 24 -4.870 -6.959 -3.403
166 2HB PRO 24 1HB PRO 24 -4.231 -8.108 -2.221
167 1HG PRO 24 2HG PRO 24 -6.989 -7.112 -2.560
168 2HG PRO 24 1HG PRO 24 -6.420 -8.591 -1.769
169 1HD PRO 24 2HD PRO 24 -7.089 -6.015 -0.569
170 2HD PRO 24 1HD PRO 24 -6.732 -7.560 0.234
171 H VAL 25 H VAL 25 -4.838 -3.765 -0.378
172 HA VAL 25 HA VAL 25 -5.123 -2.403 -2.969
173 HB VAL 25 HB VAL 25 -7.135 -1.785 -0.852
174 1HG1 VAL 25 1HG1 VAL 25 -7.062 -0.148 -2.502
175 2HG1 VAL 25 2HG1 VAL 25 -8.447 -1.149 -2.938
176 3HG1 VAL 25 3HG1 VAL 25 -6.920 -1.333 -3.800
177 1HG2 VAL 25 1HG2 VAL 25 -7.116 -4.305 -1.713
178 2HG2 VAL 25 2HG2 VAL 25 -7.998 -3.573 -3.053
179 3HG2 VAL 25 3HG2 VAL 25 -8.615 -3.425 -1.407
180 H CYS 26 H CYS 26 -4.322 -0.409 -2.977
181 HA CYS 26 HA CYS 26 -2.900 0.567 -0.701
182 1HB CYS 26 2HB CYS 26 -3.412 1.901 -3.366
183 2HB CYS 26 1HB CYS 26 -2.112 2.241 -2.237
184 H LYS 27 H LYS 27 -3.366 2.398 0.573
185 HA LYS 27 HA LYS 27 -5.732 3.976 -0.023
186 1HB LYS 27 2HB LYS 27 -6.302 1.794 1.312
187 2HB LYS 27 1HB LYS 27 -5.645 2.687 2.676
188 1HG LYS 27 2HG LYS 27 -7.431 4.028 2.821
189 2HG LYS 27 1HG LYS 27 -7.595 4.170 1.070
190 1HD LYS 27 2HD LYS 27 -8.342 1.680 2.583
191 2HD LYS 27 1HD LYS 27 -9.483 2.990 2.281
192 1HE LYS 27 2HE LYS 27 -9.806 1.335 0.586
193 2HE LYS 27 1HE LYS 27 -9.027 2.726 -0.161
194 1HZ LYS 27 1HZ LYS 27 -8.199 0.221 -0.491
195 2HZ LYS 27 2HZ LYS 27 -7.238 0.662 0.828
196 3HZ LYS 27 3HZ LYS 27 -7.166 1.560 -0.606
Start of MODEL 16
1 1H SER 1 1HT SER 1 -0.137 16.286 -0.776
2 2H SER 1 2HT SER 1 1.484 16.727 -0.573
3 3H SER 1 3HT SER 1 0.570 16.225 0.761
4 HA SER 1 HA SER 1 2.219 14.632 -0.581
5 1HB SER 1 2HB SER 1 -0.374 13.691 0.653
6 2HB SER 1 1HB SER 1 1.212 12.918 0.727
7 HG SER 1 HG SER 1 0.917 13.959 2.661
8 H ALA 2 H ALA 2 2.200 13.237 -2.310
9 HA ALA 2 HA ALA 2 0.075 13.589 -4.235
10 1HB ALA 2 1HB ALA 2 2.267 11.659 -4.737
11 2HB ALA 2 2HB ALA 2 2.702 13.361 -4.582
12 3HB ALA 2 3HB ALA 2 1.540 12.855 -5.809
13 H ILE 3 H ILE 3 -1.667 12.352 -4.251
14 HA ILE 3 HA ILE 3 -1.648 9.803 -2.902
15 HB ILE 3 HB ILE 3 -3.493 11.328 -2.437
16 1HG1 ILE 3 2HG1 ILE 3 -5.374 9.789 -2.775
17 2HG1 ILE 3 1HG1 ILE 3 -4.441 8.897 -3.970
18 1HG2 ILE 3 1HG2 ILE 3 -5.040 11.089 -4.821
19 2HG2 ILE 3 2HG2 ILE 3 -3.463 11.777 -5.211
20 3HG2 ILE 3 3HG2 ILE 3 -4.481 12.543 -3.992
21 1HD1 ILE 3 1HD1 ILE 3 -2.789 8.850 -1.797
22 2HD1 ILE 3 2HD1 ILE 3 -3.904 7.566 -2.270
23 3HD1 ILE 3 3HD1 ILE 3 -4.391 8.756 -1.063
24 H SER 4 H SER 4 -0.018 9.574 -4.955
25 HA SER 4 HA SER 4 -1.292 8.707 -7.366
26 1HB SER 4 2HB SER 4 1.563 8.351 -6.439
27 2HB SER 4 1HB SER 4 0.960 8.220 -8.083
28 HG SER 4 HG SER 4 1.190 10.288 -8.256
29 H CYS 5 H CYS 5 -2.489 7.261 -5.459
30 HA CYS 5 HA CYS 5 -1.456 4.578 -5.880
31 1HB CYS 5 2HB CYS 5 -2.448 5.762 -3.278
32 2HB CYS 5 1HB CYS 5 -2.039 4.078 -3.533
33 H GLY 6 H GLY 6 -3.926 4.477 -3.726
34 1HA GLY 6 2HA GLY 6 -6.210 4.172 -3.830
35 2HA GLY 6 1HA GLY 6 -6.190 4.974 -5.389
36 H GLU 7 H GLU 7 -4.158 2.892 -6.281
37 HA GLU 7 HA GLU 7 -5.980 1.106 -7.535
38 1HB GLU 7 2HB GLU 7 -3.942 0.119 -8.489
39 2HB GLU 7 1HB GLU 7 -3.924 1.874 -8.607
40 1HG GLU 7 2HG GLU 7 -2.472 1.993 -6.642
41 2HG GLU 7 1HG GLU 7 -2.480 0.235 -6.533
42 H THR 8 H THR 8 -4.711 -1.250 -7.622
43 HA THR 8 HA THR 8 -5.190 -2.392 -4.965
44 HB THR 8 HB THR 8 -5.038 -4.592 -6.368
45 HG1 THR 8 1HG THR 8 -5.444 -4.328 -8.546
46 1HG2 THR 8 1HG2 THR 8 -7.462 -4.206 -7.156
47 2HG2 THR 8 2HG2 THR 8 -7.303 -2.620 -6.401
48 3HG2 THR 8 3HG2 THR 8 -7.121 -4.081 -5.431
49 H CYS 9 H CYS 9 -3.575 -4.130 -4.272
50 HA CYS 9 HA CYS 9 -1.024 -3.933 -5.608
51 1HB CYS 9 2HB CYS 9 0.166 -3.260 -3.525
52 2HB CYS 9 1HB CYS 9 -0.875 -2.008 -4.189
53 H PHE 10 H PHE 10 -0.820 -6.025 -5.947
54 HA PHE 10 HA PHE 10 -1.328 -7.998 -3.899
55 1HB PHE 10 2HB PHE 10 -0.357 -8.133 -6.751
56 2HB PHE 10 1HB PHE 10 -0.347 -9.544 -5.707
57 HD1 PHE 10 1HD PHE 10 -2.812 -6.803 -6.330
58 HD2 PHE 10 2HD PHE 10 -2.036 -10.987 -6.247
59 HE1 PHE 10 1HE PHE 10 -5.164 -7.246 -6.895
60 HE2 PHE 10 2HE PHE 10 -4.389 -11.436 -6.814
61 HZ PHE 10 HZ PHE 10 -5.956 -9.566 -7.138
62 H LYS 11 H LYS 11 0.589 -5.965 -3.430
63 HA LYS 11 HA LYS 11 2.682 -7.366 -2.198
64 1HB LYS 11 2HB LYS 11 3.298 -7.142 -4.817
65 2HB LYS 11 1HB LYS 11 3.805 -5.544 -4.286
66 1HG LYS 11 2HG LYS 11 5.684 -7.057 -4.265
67 2HG LYS 11 1HG LYS 11 5.277 -6.586 -2.612
68 1HD LYS 11 2HD LYS 11 5.722 -8.960 -2.676
69 2HD LYS 11 1HD LYS 11 4.004 -8.699 -2.368
70 1HE LYS 11 2HE LYS 11 3.890 -8.861 -5.013
71 2HE LYS 11 1HE LYS 11 5.365 -9.796 -4.774
72 1HZ LYS 11 1HZ LYS 11 3.883 -10.977 -2.986
73 2HZ LYS 11 2HZ LYS 11 3.795 -11.425 -4.614
74 3HZ LYS 11 3HZ LYS 11 2.617 -10.403 -3.953
75 H PHE 12 H PHE 12 4.143 -5.604 -1.136
76 HA PHE 12 HA PHE 12 2.395 -3.438 -0.356
77 1HB PHE 12 2HB PHE 12 5.106 -4.329 0.614
78 2HB PHE 12 1HB PHE 12 4.318 -2.873 1.211
79 HD1 PHE 12 1HD PHE 12 3.325 -6.430 0.584
80 HD2 PHE 12 2HD PHE 12 3.308 -3.105 3.240
81 HE1 PHE 12 1HE PHE 12 2.089 -7.765 2.240
82 HE2 PHE 12 2HE PHE 12 2.074 -4.434 4.901
83 HZ PHE 12 HZ PHE 12 1.463 -6.768 4.402
84 H LYS 13 H LYS 13 2.616 -2.842 -2.736
85 HA LYS 13 HA LYS 13 4.920 -1.161 -3.249
86 1HB LYS 13 2HB LYS 13 3.804 -2.805 -4.929
87 2HB LYS 13 1HB LYS 13 2.610 -1.537 -5.135
88 1HG LYS 13 2HG LYS 13 5.440 -0.736 -5.436
89 2HG LYS 13 1HG LYS 13 4.781 -1.797 -6.681
90 1HD LYS 13 2HD LYS 13 3.673 0.884 -5.832
91 2HD LYS 13 1HD LYS 13 4.526 0.530 -7.335
92 1HE LYS 13 2HE LYS 13 2.748 -0.875 -8.095
93 2HE LYS 13 1HE LYS 13 1.949 -0.806 -6.526
94 1HZ LYS 13 1HZ LYS 13 2.235 1.392 -8.495
95 2HZ LYS 13 2HZ LYS 13 1.691 1.631 -6.914
96 3HZ LYS 13 3HZ LYS 13 0.801 0.651 -7.975
97 H CYS 14 H CYS 14 3.344 -0.247 -1.170
98 HA CYS 14 HA CYS 14 2.678 2.370 -2.203
99 1HB CYS 14 2HB CYS 14 0.628 0.740 -0.700
100 2HB CYS 14 1HB CYS 14 0.501 2.464 -1.005
101 H TYR 15 H TYR 15 3.846 3.606 -1.011
102 HA TYR 15 HA TYR 15 3.628 3.606 1.856
103 1HB TYR 15 2HB TYR 15 6.274 3.585 1.925
104 2HB TYR 15 1HB TYR 15 5.367 2.078 1.963
105 HD1 TYR 15 1HD TYR 15 7.175 4.377 -0.341
106 HD2 TYR 15 2HD TYR 15 5.727 0.422 0.329
107 HE1 TYR 15 1HE TYR 15 8.381 3.601 -2.338
108 HE2 TYR 15 2HE TYR 15 6.940 -0.358 -1.661
109 HH TYR 15 HH TYR 15 9.009 0.429 -2.992
110 H THR 16 H THR 16 3.096 5.188 -0.512
111 HA THR 16 HA THR 16 4.885 7.449 -0.513
112 HB THR 16 HB THR 16 2.248 7.900 -1.684
113 HG1 THR 16 1HG THR 16 2.013 6.096 -2.815
114 1HG2 THR 16 1HG2 THR 16 5.021 8.330 -2.293
115 2HG2 THR 16 2HG2 THR 16 3.597 9.091 -3.004
116 3HG2 THR 16 3HG2 THR 16 4.219 7.584 -3.677
117 HA PRO 17 HA PRO 17 3.079 9.831 2.780
118 1HB PRO 17 2HB PRO 17 2.638 12.045 0.835
119 2HB PRO 17 1HB PRO 17 3.471 12.068 2.394
120 1HG PRO 17 2HG PRO 17 4.851 12.112 0.116
121 2HG PRO 17 1HG PRO 17 5.426 11.185 1.514
122 1HD PRO 17 2HD PRO 17 4.125 10.223 -0.995
123 2HD PRO 17 1HD PRO 17 5.405 9.468 -0.024
124 H ARG 18 H ARG 18 1.136 9.288 3.457
125 HA ARG 18 HA ARG 18 -1.093 9.092 3.711
126 1HB ARG 18 2HB ARG 18 -1.141 11.508 3.038
127 2HB ARG 18 1HB ARG 18 -1.359 10.994 1.378
128 1HG ARG 18 2HG ARG 18 -3.338 9.787 3.122
129 2HG ARG 18 1HG ARG 18 -3.348 11.544 3.242
130 1HD ARG 18 2HD ARG 18 -3.824 11.815 0.965
131 2HD ARG 18 1HD ARG 18 -3.345 10.164 0.576
132 HE ARG 18 HE ARG 18 -5.911 11.056 1.549
133 1HH1 ARG 18 1HH1 ARG 18 -3.772 8.314 1.126
134 2HH1 ARG 18 2HH1 ARG 18 -5.046 7.126 1.246
135 1HH2 ARG 18 1HH2 ARG 18 -7.590 9.485 1.730
136 2HH2 ARG 18 2HH2 ARG 18 -7.196 7.801 1.605
137 H CYS 19 H CYS 19 0.297 7.171 2.386
138 HA CYS 19 HA CYS 19 -1.779 5.998 0.747
139 1HB CYS 19 2HB CYS 19 -0.543 7.018 -1.006
140 2HB CYS 19 1HB CYS 19 0.998 6.595 -0.270
141 H SER 20 H SER 20 -1.975 3.891 1.247
142 HA SER 20 HA SER 20 0.365 2.458 2.247
143 1HB SER 20 2HB SER 20 -1.636 1.602 3.955
144 2HB SER 20 1HB SER 20 -0.290 2.662 4.360
145 HG SER 20 HG SER 20 -2.476 3.873 3.155
146 H CYS 21 H CYS 21 0.489 0.438 1.693
147 HA CYS 21 HA CYS 21 -1.685 -0.600 0.074
148 1HB CYS 21 2HB CYS 21 0.415 -0.849 -1.012
149 2HB CYS 21 1HB CYS 21 1.172 -1.557 0.410
150 H SER 22 H SER 22 -3.205 -1.249 1.404
151 HA SER 22 HA SER 22 -2.633 -2.977 3.652
152 1HB SER 22 2HB SER 22 -5.258 -1.944 2.536
153 2HB SER 22 1HB SER 22 -5.031 -2.754 4.075
154 HG SER 22 HG SER 22 -4.051 -0.220 3.299
155 H TYR 23 H TYR 23 -1.669 -4.455 2.126
156 HA TYR 23 HA TYR 23 -2.302 -5.787 0.019
157 1HB TYR 23 2HB TYR 23 -0.563 -6.421 1.716
158 2HB TYR 23 1HB TYR 23 -1.805 -7.337 2.559
159 HD1 TYR 23 1HD TYR 23 -1.434 -9.596 2.286
160 HD2 TYR 23 2HD TYR 23 -0.878 -7.016 -1.050
161 HE1 TYR 23 1HE TYR 23 -0.934 -11.544 0.869
162 HE2 TYR 23 2HE TYR 23 -0.383 -8.956 -2.473
163 HH TYR 23 HH TYR 23 -1.004 -12.136 -1.541
164 HA PRO 24 HA PRO 24 -2.918 -6.284 -1.361
165 1HB PRO 24 2HB PRO 24 -4.445 -7.265 -3.309
166 2HB PRO 24 1HB PRO 24 -3.575 -8.346 -2.213
167 1HG PRO 24 2HG PRO 24 -6.467 -7.785 -2.379
168 2HG PRO 24 1HG PRO 24 -5.633 -9.180 -1.677
169 1HD PRO 24 2HD PRO 24 -6.629 -6.778 -0.347
170 2HD PRO 24 1HD PRO 24 -6.009 -8.279 0.378
171 H VAL 25 H VAL 25 -4.717 -4.236 -0.134
172 HA VAL 25 HA VAL 25 -5.617 -2.963 -2.649
173 HB VAL 25 HB VAL 25 -6.941 -2.328 -0.052
174 1HG1 VAL 25 1HG1 VAL 25 -7.125 -1.044 -2.319
175 2HG1 VAL 25 2HG1 VAL 25 -8.545 -1.285 -1.300
176 3HG1 VAL 25 3HG1 VAL 25 -8.280 -2.320 -2.704
177 1HG2 VAL 25 1HG2 VAL 25 -7.022 -4.860 -0.658
178 2HG2 VAL 25 2HG2 VAL 25 -8.173 -4.336 -1.888
179 3HG2 VAL 25 3HG2 VAL 25 -8.503 -4.028 -0.184
180 H CYS 26 H CYS 26 -4.942 -0.964 -2.989
181 HA CYS 26 HA CYS 26 -3.250 0.291 -0.954
182 1HB CYS 26 2HB CYS 26 -2.354 -0.164 -3.262
183 2HB CYS 26 1HB CYS 26 -3.530 0.981 -3.885
184 H LYS 27 H LYS 27 -3.891 2.137 0.057
185 HA LYS 27 HA LYS 27 -5.860 3.874 -1.171
186 1HB LYS 27 2HB LYS 27 -6.334 2.295 1.340
187 2HB LYS 27 1HB LYS 27 -7.098 3.853 1.103
188 1HG LYS 27 2HG LYS 27 -7.378 1.477 -0.719
189 2HG LYS 27 1HG LYS 27 -8.569 2.008 0.470
190 1HD LYS 27 2HD LYS 27 -9.032 3.986 -0.723
191 2HD LYS 27 1HD LYS 27 -7.584 3.819 -1.719
192 1HE LYS 27 2HE LYS 27 -9.962 1.962 -1.782
193 2HE LYS 27 1HE LYS 27 -9.658 3.259 -2.939
194 1HZ LYS 27 1HZ LYS 27 -7.395 1.539 -2.651
195 2HZ LYS 27 2HZ LYS 27 -8.231 1.987 -4.053
196 3HZ LYS 27 3HZ LYS 27 -8.772 0.677 -3.127
Start of MODEL 17
1 1H SER 1 1HT SER 1 -0.120 3.058 -10.998
2 2H SER 1 2HT SER 1 -0.236 3.497 -9.366
3 3H SER 1 3HT SER 1 1.253 3.593 -10.167
4 HA SER 1 HA SER 1 0.189 5.249 -11.708
5 1HB SER 1 2HB SER 1 -1.827 5.261 -9.441
6 2HB SER 1 1HB SER 1 -1.847 6.307 -10.863
7 HG SER 1 HG SER 1 -3.073 4.066 -10.672
8 H ALA 2 H ALA 2 0.022 7.669 -10.827
9 HA ALA 2 HA ALA 2 2.378 8.171 -9.364
10 1HB ALA 2 1HB ALA 2 0.185 9.785 -10.487
11 2HB ALA 2 2HB ALA 2 1.929 10.038 -10.555
12 3HB ALA 2 3HB ALA 2 1.025 10.507 -9.115
13 H ILE 3 H ILE 3 -1.021 8.665 -8.434
14 HA ILE 3 HA ILE 3 -0.285 8.821 -5.652
15 HB ILE 3 HB ILE 3 -3.039 8.840 -6.908
16 1HG1 ILE 3 2HG1 ILE 3 -1.343 11.149 -5.926
17 2HG1 ILE 3 1HG1 ILE 3 -1.641 10.756 -7.615
18 1HG2 ILE 3 1HG2 ILE 3 -2.917 8.135 -4.515
19 2HG2 ILE 3 2HG2 ILE 3 -3.856 9.602 -4.791
20 3HG2 ILE 3 3HG2 ILE 3 -2.221 9.712 -4.141
21 1HD1 ILE 3 1HD1 ILE 3 -4.114 11.052 -7.056
22 2HD1 ILE 3 2HD1 ILE 3 -3.109 12.499 -7.144
23 3HD1 ILE 3 3HD1 ILE 3 -3.551 11.826 -5.574
24 H SER 4 H SER 4 0.344 6.882 -4.904
25 HA SER 4 HA SER 4 -0.636 4.406 -5.818
26 1HB SER 4 2HB SER 4 0.784 4.830 -3.208
27 2HB SER 4 1HB SER 4 0.899 3.478 -4.328
28 HG SER 4 HG SER 4 1.759 5.170 -5.841
29 H CYS 5 H CYS 5 -2.939 5.424 -5.320
30 HA CYS 5 HA CYS 5 -3.896 4.057 -2.923
31 1HB CYS 5 2HB CYS 5 -4.200 6.920 -3.604
32 2HB CYS 5 1HB CYS 5 -5.626 6.108 -2.996
33 H GLY 6 H GLY 6 -4.665 5.575 -6.000
34 1HA GLY 6 2HA GLY 6 -7.204 4.232 -6.241
35 2HA GLY 6 1HA GLY 6 -6.434 5.235 -7.462
36 H GLU 7 H GLU 7 -5.355 2.302 -5.787
37 HA GLU 7 HA GLU 7 -5.673 0.614 -8.063
38 1HB GLU 7 2HB GLU 7 -3.276 0.194 -8.483
39 2HB GLU 7 1HB GLU 7 -3.737 1.846 -8.876
40 1HG GLU 7 2HG GLU 7 -2.892 2.498 -6.610
41 2HG GLU 7 1HG GLU 7 -2.224 0.878 -6.472
42 H THR 8 H THR 8 -4.888 -1.531 -7.677
43 HA THR 8 HA THR 8 -5.061 -2.262 -4.875
44 HB THR 8 HB THR 8 -4.998 -4.627 -5.877
45 HG1 THR 8 1HG THR 8 -5.725 -4.480 -8.189
46 1HG2 THR 8 1HG2 THR 8 -7.092 -3.875 -5.138
47 2HG2 THR 8 2HG2 THR 8 -7.375 -4.331 -6.818
48 3HG2 THR 8 3HG2 THR 8 -7.186 -2.632 -6.386
49 H CYS 9 H CYS 9 -3.526 -4.192 -4.221
50 HA CYS 9 HA CYS 9 -0.944 -4.038 -5.471
51 1HB CYS 9 2HB CYS 9 0.265 -3.375 -3.445
52 2HB CYS 9 1HB CYS 9 -0.821 -2.112 -4.006
53 H PHE 10 H PHE 10 -0.736 -6.121 -5.801
54 HA PHE 10 HA PHE 10 -1.499 -8.156 -3.958
55 1HB PHE 10 2HB PHE 10 0.159 -8.147 -6.481
56 2HB PHE 10 1HB PHE 10 -0.038 -9.597 -5.513
57 HD1 PHE 10 1HD PHE 10 -2.378 -6.913 -6.656
58 HD2 PHE 10 2HD PHE 10 -1.474 -11.069 -6.511
59 HE1 PHE 10 1HE PHE 10 -4.488 -7.410 -7.820
60 HE2 PHE 10 2HE PHE 10 -3.580 -11.572 -7.675
61 HZ PHE 10 HZ PHE 10 -5.091 -9.741 -8.331
62 H LYS 11 H LYS 11 1.181 -6.152 -4.481
63 HA LYS 11 HA LYS 11 2.713 -7.465 -2.348
64 1HB LYS 11 2HB LYS 11 3.825 -5.930 -4.721
65 2HB LYS 11 1HB LYS 11 4.774 -6.622 -3.411
66 1HG LYS 11 2HG LYS 11 3.102 -8.191 -5.366
67 2HG LYS 11 1HG LYS 11 4.852 -7.983 -5.449
68 1HD LYS 11 2HD LYS 11 3.417 -9.220 -3.102
69 2HD LYS 11 1HD LYS 11 4.092 -10.150 -4.439
70 1HE LYS 11 2HE LYS 11 5.666 -8.288 -2.665
71 2HE LYS 11 1HE LYS 11 5.586 -10.039 -2.466
72 1HZ LYS 11 1HZ LYS 11 7.245 -8.530 -4.179
73 2HZ LYS 11 2HZ LYS 11 6.278 -9.560 -5.111
74 3HZ LYS 11 3HZ LYS 11 7.258 -10.198 -3.889
75 H PHE 12 H PHE 12 4.026 -5.797 -1.107
76 HA PHE 12 HA PHE 12 2.335 -3.520 -0.588
77 1HB PHE 12 2HB PHE 12 4.800 -4.611 0.757
78 2HB PHE 12 1HB PHE 12 4.084 -3.075 1.229
79 HD1 PHE 12 1HD PHE 12 2.927 -3.235 3.183
80 HD2 PHE 12 2HD PHE 12 2.711 -6.464 0.419
81 HE1 PHE 12 1HE PHE 12 1.366 -4.408 4.680
82 HE2 PHE 12 2HE PHE 12 1.149 -7.641 1.910
83 HZ PHE 12 HZ PHE 12 0.474 -6.613 4.044
84 H LYS 13 H LYS 13 2.973 -2.951 -2.931
85 HA LYS 13 HA LYS 13 5.419 -1.393 -3.000
86 1HB LYS 13 2HB LYS 13 4.822 -1.053 -5.437
87 2HB LYS 13 1HB LYS 13 5.172 -2.702 -4.950
88 1HG LYS 13 2HG LYS 13 3.325 -2.854 -6.383
89 2HG LYS 13 1HG LYS 13 2.659 -3.027 -4.760
90 1HD LYS 13 2HD LYS 13 1.890 -0.745 -4.779
91 2HD LYS 13 1HD LYS 13 2.701 -0.440 -6.316
92 1HE LYS 13 2HE LYS 13 1.213 -1.902 -7.473
93 2HE LYS 13 1HE LYS 13 0.525 -2.492 -5.961
94 1HZ LYS 13 1HZ LYS 13 -1.051 -0.981 -6.526
95 2HZ LYS 13 2HZ LYS 13 0.018 0.019 -7.386
96 3HZ LYS 13 3HZ LYS 13 -0.012 0.066 -5.691
97 H CYS 14 H CYS 14 3.147 -0.537 -1.379
98 HA CYS 14 HA CYS 14 2.968 2.166 -2.475
99 1HB CYS 14 2HB CYS 14 0.606 0.607 -1.404
100 2HB CYS 14 1HB CYS 14 0.598 2.344 -1.660
101 H TYR 15 H TYR 15 3.767 3.490 -1.064
102 HA TYR 15 HA TYR 15 3.095 3.433 1.712
103 1HB TYR 15 2HB TYR 15 5.647 3.376 2.313
104 2HB TYR 15 1HB TYR 15 4.774 1.865 2.088
105 HD1 TYR 15 1HD TYR 15 6.930 4.294 0.250
106 HD2 TYR 15 2HD TYR 15 5.578 0.268 0.589
107 HE1 TYR 15 1HE TYR 15 8.556 3.609 -1.463
108 HE2 TYR 15 2HE TYR 15 7.208 -0.424 -1.118
109 HH TYR 15 HH TYR 15 8.939 0.207 -2.377
110 H THR 16 H THR 16 2.820 5.085 -0.519
111 HA THR 16 HA THR 16 4.658 7.302 -0.307
112 HB THR 16 HB THR 16 2.361 8.023 -1.786
113 HG1 THR 16 1HG THR 16 2.583 6.023 -3.264
114 1HG2 THR 16 1HG2 THR 16 4.952 6.876 -2.833
115 2HG2 THR 16 2HG2 THR 16 4.757 8.537 -2.270
116 3HG2 THR 16 3HG2 THR 16 3.853 7.969 -3.676
117 HA PRO 17 HA PRO 17 2.566 9.907 2.577
118 1HB PRO 17 2HB PRO 17 1.844 11.825 0.414
119 2HB PRO 17 1HB PRO 17 2.664 12.121 1.951
120 1HG PRO 17 2HG PRO 17 4.033 12.080 -0.331
121 2HG PRO 17 1HG PRO 17 4.712 11.384 1.152
122 1HD PRO 17 2HD PRO 17 3.540 10.012 -1.225
123 2HD PRO 17 1HD PRO 17 4.895 9.520 -0.190
124 H ARG 18 H ARG 18 0.682 9.318 3.393
125 HA ARG 18 HA ARG 18 -1.462 8.894 3.760
126 1HB ARG 18 2HB ARG 18 -1.949 10.702 1.408
127 2HB ARG 18 1HB ARG 18 -3.075 10.266 2.669
128 1HG ARG 18 2HG ARG 18 -1.846 11.474 4.314
129 2HG ARG 18 1HG ARG 18 -0.538 11.778 3.168
130 1HD ARG 18 2HD ARG 18 -1.909 13.758 3.392
131 2HD ARG 18 1HD ARG 18 -2.089 13.083 1.775
132 HE ARG 18 HE ARG 18 -4.300 12.736 2.201
133 1HH1 ARG 18 1HH1 ARG 18 -2.668 13.272 5.254
134 2HH1 ARG 18 2HH1 ARG 18 -4.127 13.254 6.187
135 1HH2 ARG 18 1HH2 ARG 18 -6.231 12.716 3.426
136 2HH2 ARG 18 2HH2 ARG 18 -6.162 12.938 5.143
137 H CYS 19 H CYS 19 0.029 7.162 1.856
138 HA CYS 19 HA CYS 19 -2.256 5.735 0.809
139 1HB CYS 19 2HB CYS 19 -0.010 6.855 -0.848
140 2HB CYS 19 1HB CYS 19 -0.884 5.426 -1.347
141 H SER 20 H SER 20 -1.950 3.848 1.891
142 HA SER 20 HA SER 20 0.763 2.675 1.823
143 1HB SER 20 2HB SER 20 -0.939 1.680 3.957
144 2HB SER 20 1HB SER 20 0.696 2.330 4.041
145 HG SER 20 HG SER 20 -1.677 3.887 3.862
146 H CYS 21 H CYS 21 0.960 0.534 1.270
147 HA CYS 21 HA CYS 21 -1.271 -0.572 -0.125
148 1HB CYS 21 2HB CYS 21 0.830 -1.054 -1.094
149 2HB CYS 21 1HB CYS 21 1.493 -1.676 0.414
150 H SER 22 H SER 22 -2.875 -0.875 1.289
151 HA SER 22 HA SER 22 -2.535 -2.606 3.579
152 1HB SER 22 2HB SER 22 -4.918 -1.085 2.471
153 2HB SER 22 1HB SER 22 -4.915 -2.003 3.967
154 HG SER 22 HG SER 22 -4.093 0.521 3.549
155 H TYR 23 H TYR 23 -1.872 -4.303 2.147
156 HA TYR 23 HA TYR 23 -2.752 -5.536 0.055
157 1HB TYR 23 2HB TYR 23 -1.118 -6.494 1.643
158 2HB TYR 23 1HB TYR 23 -2.448 -7.042 2.657
159 HD1 TYR 23 1HD TYR 23 -2.834 -9.305 2.513
160 HD2 TYR 23 2HD TYR 23 -1.601 -7.225 -0.986
161 HE1 TYR 23 1HE TYR 23 -2.937 -11.404 1.235
162 HE2 TYR 23 2HE TYR 23 -1.703 -9.316 -2.274
163 HH TYR 23 HH TYR 23 -1.521 -11.844 -1.695
164 HA PRO 24 HA PRO 24 -3.396 -6.105 -1.288
165 1HB PRO 24 2HB PRO 24 -5.057 -6.912 -3.205
166 2HB PRO 24 1HB PRO 24 -4.425 -8.056 -2.015
167 1HG PRO 24 2HG PRO 24 -7.152 -6.963 -2.295
168 2HG PRO 24 1HG PRO 24 -6.615 -8.442 -1.485
169 1HD PRO 24 2HD PRO 24 -7.154 -5.818 -0.332
170 2HD PRO 24 1HD PRO 24 -6.824 -7.353 0.500
171 H VAL 25 H VAL 25 -4.791 -3.652 -0.268
172 HA VAL 25 HA VAL 25 -5.187 -2.375 -2.896
173 HB VAL 25 HB VAL 25 -6.893 -1.561 -0.572
174 1HG1 VAL 25 1HG1 VAL 25 -6.476 -0.607 -3.203
175 2HG1 VAL 25 2HG1 VAL 25 -7.555 0.024 -1.959
176 3HG1 VAL 25 3HG1 VAL 25 -8.133 -1.199 -3.090
177 1HG2 VAL 25 1HG2 VAL 25 -8.429 -3.171 -0.859
178 2HG2 VAL 25 2HG2 VAL 25 -7.130 -4.067 -1.646
179 3HG2 VAL 25 3HG2 VAL 25 -8.272 -3.133 -2.615
180 H CYS 26 H CYS 26 -4.342 -0.361 -3.066
181 HA CYS 26 HA CYS 26 -2.571 0.486 -0.976
182 1HB CYS 26 2HB CYS 26 -3.160 1.539 -3.742
183 2HB CYS 26 1HB CYS 26 -1.946 2.210 -2.674
184 H LYS 27 H LYS 27 -3.610 1.405 0.699
185 HA LYS 27 HA LYS 27 -4.830 3.973 0.281
186 1HB LYS 27 2HB LYS 27 -6.684 2.163 0.105
187 2HB LYS 27 1HB LYS 27 -6.437 1.936 1.830
188 1HG LYS 27 2HG LYS 27 -7.131 4.583 0.577
189 2HG LYS 27 1HG LYS 27 -8.324 3.453 1.216
190 1HD LYS 27 2HD LYS 27 -7.403 3.647 3.428
191 2HD LYS 27 1HD LYS 27 -6.054 4.615 2.828
192 1HE LYS 27 2HE LYS 27 -7.758 6.002 3.906
193 2HE LYS 27 1HE LYS 27 -7.587 6.389 2.194
194 1HZ LYS 27 1HZ LYS 27 -9.717 5.949 1.893
195 2HZ LYS 27 2HZ LYS 27 -9.899 5.666 3.550
196 3HZ LYS 27 3HZ LYS 27 -9.533 4.384 2.509
Start of MODEL 18
1 1H SER 1 1HT SER 1 0.825 14.600 -1.543
2 2H SER 1 2HT SER 1 -0.366 13.708 -0.736
3 3H SER 1 3HT SER 1 -0.782 15.135 -1.544
4 HA SER 1 HA SER 1 -0.993 14.127 -3.490
5 1HB SER 1 2HB SER 1 1.511 14.016 -3.575
6 2HB SER 1 1HB SER 1 1.432 12.445 -2.777
7 HG SER 1 HG SER 1 1.561 12.496 -5.176
8 H ALA 2 H ALA 2 -2.009 12.189 -4.292
9 HA ALA 2 HA ALA 2 -2.323 9.967 -2.445
10 1HB ALA 2 1HB ALA 2 -4.944 10.358 -3.068
11 2HB ALA 2 2HB ALA 2 -4.377 12.018 -2.878
12 3HB ALA 2 3HB ALA 2 -4.184 10.864 -1.559
13 H ILE 3 H ILE 3 -1.100 10.212 -4.994
14 HA ILE 3 HA ILE 3 -2.881 9.205 -6.978
15 HB ILE 3 HB ILE 3 -1.045 10.553 -7.726
16 1HG1 ILE 3 2HG1 ILE 3 0.020 9.022 -9.391
17 2HG1 ILE 3 1HG1 ILE 3 -0.700 7.661 -8.538
18 1HG2 ILE 3 1HG2 ILE 3 0.624 10.302 -6.110
19 2HG2 ILE 3 2HG2 ILE 3 1.316 9.612 -7.578
20 3HG2 ILE 3 3HG2 ILE 3 0.686 8.553 -6.317
21 1HD1 ILE 3 1HD1 ILE 3 -2.827 9.370 -9.020
22 2HD1 ILE 3 2HD1 ILE 3 -2.439 7.885 -9.889
23 3HD1 ILE 3 3HD1 ILE 3 -1.858 9.437 -10.492
24 H SER 4 H SER 4 -0.261 7.796 -5.023
25 HA SER 4 HA SER 4 -0.640 5.165 -6.048
26 1HB SER 4 2HB SER 4 0.857 6.084 -3.589
27 2HB SER 4 1HB SER 4 1.064 4.568 -4.452
28 HG SER 4 HG SER 4 1.816 5.731 -6.240
29 H CYS 5 H CYS 5 -3.086 5.830 -5.315
30 HA CYS 5 HA CYS 5 -3.574 4.227 -2.912
31 1HB CYS 5 2HB CYS 5 -4.571 6.950 -3.575
32 2HB CYS 5 1HB CYS 5 -5.658 5.853 -2.756
33 H GLY 6 H GLY 6 -4.912 5.586 -5.880
34 1HA GLY 6 2HA GLY 6 -7.168 3.827 -5.944
35 2HA GLY 6 1HA GLY 6 -6.629 4.873 -7.246
36 H GLU 7 H GLU 7 -4.910 2.253 -5.599
37 HA GLU 7 HA GLU 7 -5.028 0.633 -8.023
38 1HB GLU 7 2HB GLU 7 -2.520 1.633 -6.728
39 2HB GLU 7 1HB GLU 7 -2.533 0.113 -7.605
40 1HG GLU 7 2HG GLU 7 -3.465 1.394 -9.551
41 2HG GLU 7 1HG GLU 7 -3.079 2.851 -8.655
42 H THR 8 H THR 8 -4.450 -1.497 -7.755
43 HA THR 8 HA THR 8 -4.899 -2.515 -5.043
44 HB THR 8 HB THR 8 -5.151 -4.743 -6.323
45 HG1 THR 8 1HG THR 8 -5.922 -4.218 -8.565
46 1HG2 THR 8 1HG2 THR 8 -7.301 -2.875 -7.180
47 2HG2 THR 8 2HG2 THR 8 -6.972 -3.015 -5.453
48 3HG2 THR 8 3HG2 THR 8 -7.417 -4.445 -6.385
49 H CYS 9 H CYS 9 -3.430 -4.012 -4.121
50 HA CYS 9 HA CYS 9 -1.040 -4.668 -5.599
51 1HB CYS 9 2HB CYS 9 0.461 -3.673 -3.896
52 2HB CYS 9 1HB CYS 9 -0.464 -2.469 -4.787
53 H PHE 10 H PHE 10 -1.233 -6.785 -5.293
54 HA PHE 10 HA PHE 10 -1.946 -7.935 -2.761
55 1HB PHE 10 2HB PHE 10 -1.069 -9.122 -5.397
56 2HB PHE 10 1HB PHE 10 -1.430 -10.096 -3.982
57 HD1 PHE 10 1HD PHE 10 -3.491 -11.079 -3.973
58 HD2 PHE 10 2HD PHE 10 -3.045 -7.286 -5.852
59 HE1 PHE 10 1HE PHE 10 -5.870 -11.112 -4.598
60 HE2 PHE 10 2HE PHE 10 -5.424 -7.312 -6.478
61 HZ PHE 10 HZ PHE 10 -6.840 -9.226 -5.850
62 H LYS 11 H LYS 11 0.193 -6.354 -2.322
63 HA LYS 11 HA LYS 11 2.042 -8.015 -1.047
64 1HB LYS 11 2HB LYS 11 2.751 -8.356 -3.480
65 2HB LYS 11 1HB LYS 11 3.259 -6.672 -3.469
66 1HG LYS 11 2HG LYS 11 4.832 -7.148 -1.666
67 2HG LYS 11 1HG LYS 11 4.312 -8.833 -1.650
68 1HD LYS 11 2HD LYS 11 6.368 -8.665 -2.889
69 2HD LYS 11 1HD LYS 11 5.057 -9.032 -4.010
70 1HE LYS 11 2HE LYS 11 4.939 -6.677 -4.650
71 2HE LYS 11 1HE LYS 11 6.231 -6.297 -3.512
72 1HZ LYS 11 1HZ LYS 11 6.426 -7.958 -5.962
73 2HZ LYS 11 2HZ LYS 11 7.653 -7.865 -4.802
74 3HZ LYS 11 3HZ LYS 11 7.192 -6.480 -5.655
75 H PHE 12 H PHE 12 3.701 -5.435 -2.499
76 HA PHE 12 HA PHE 12 2.767 -3.388 -0.683
77 1HB PHE 12 2HB PHE 12 4.441 -4.798 0.599
78 2HB PHE 12 1HB PHE 12 5.657 -4.258 -0.553
79 HD1 PHE 12 1HD PHE 12 7.083 -2.815 0.530
80 HD2 PHE 12 2HD PHE 12 2.892 -2.449 1.176
81 HE1 PHE 12 1HE PHE 12 7.472 -0.806 1.896
82 HE2 PHE 12 2HE PHE 12 3.273 -0.439 2.541
83 HZ PHE 12 HZ PHE 12 5.566 0.386 2.902
84 H LYS 13 H LYS 13 2.276 -2.247 -2.582
85 HA LYS 13 HA LYS 13 4.548 -1.537 -4.295
86 1HB LYS 13 2HB LYS 13 1.590 -1.129 -4.723
87 2HB LYS 13 1HB LYS 13 2.832 -0.548 -5.815
88 1HG LYS 13 2HG LYS 13 3.544 -2.990 -6.024
89 2HG LYS 13 1HG LYS 13 1.994 -3.368 -5.263
90 1HD LYS 13 2HD LYS 13 2.486 -1.942 -7.873
91 2HD LYS 13 1HD LYS 13 1.622 -3.457 -7.609
92 1HE LYS 13 2HE LYS 13 -0.152 -2.281 -6.449
93 2HE LYS 13 1HE LYS 13 0.731 -0.762 -6.581
94 1HZ LYS 13 1HZ LYS 13 0.471 -1.797 -9.150
95 2HZ LYS 13 2HZ LYS 13 -0.266 -0.412 -8.507
96 3HZ LYS 13 3HZ LYS 13 -1.050 -1.914 -8.416
97 H CYS 14 H CYS 14 1.785 -0.012 -2.714
98 HA CYS 14 HA CYS 14 2.974 2.601 -3.007
99 1HB CYS 14 2HB CYS 14 0.413 1.871 -1.587
100 2HB CYS 14 1HB CYS 14 0.877 3.447 -2.219
101 H TYR 15 H TYR 15 3.802 3.839 -1.446
102 HA TYR 15 HA TYR 15 3.553 3.206 1.344
103 1HB TYR 15 2HB TYR 15 6.176 3.261 1.520
104 2HB TYR 15 1HB TYR 15 5.346 1.752 1.170
105 HD1 TYR 15 1HD TYR 15 6.152 0.449 -0.548
106 HD2 TYR 15 2HD TYR 15 6.867 4.648 -0.658
107 HE1 TYR 15 1HE TYR 15 7.529 0.162 -2.566
108 HE2 TYR 15 2HE TYR 15 8.237 4.368 -2.681
109 HH TYR 15 HH TYR 15 8.330 1.426 -4.443
110 H THR 16 H THR 16 2.830 5.245 -0.410
111 HA THR 16 HA THR 16 4.555 7.527 0.146
112 HB THR 16 HB THR 16 1.914 7.603 -1.314
113 HG1 THR 16 1HG THR 16 4.294 7.091 -2.726
114 1HG2 THR 16 1HG2 THR 16 3.133 9.306 -2.677
115 2HG2 THR 16 2HG2 THR 16 4.501 9.141 -1.575
116 3HG2 THR 16 3HG2 THR 16 2.956 9.747 -0.979
117 HA PRO 17 HA PRO 17 2.283 8.810 3.760
118 1HB PRO 17 2HB PRO 17 2.214 11.513 2.497
119 2HB PRO 17 1HB PRO 17 2.733 11.043 4.120
120 1HG PRO 17 2HG PRO 17 4.524 11.639 2.243
121 2HG PRO 17 1HG PRO 17 4.811 10.316 3.390
122 1HD PRO 17 2HD PRO 17 4.024 10.199 0.516
123 2HD PRO 17 1HD PRO 17 5.060 9.101 1.451
124 H ARG 18 H ARG 18 0.239 8.301 4.005
125 HA ARG 18 HA ARG 18 -2.011 8.269 3.931
126 1HB ARG 18 2HB ARG 18 -1.802 10.746 3.819
127 2HB ARG 18 1HB ARG 18 -1.800 10.633 2.071
128 1HG ARG 18 2HG ARG 18 -3.984 11.266 2.714
129 2HG ARG 18 1HG ARG 18 -4.079 9.574 2.239
130 1HD ARG 18 2HD ARG 18 -3.895 10.591 5.077
131 2HD ARG 18 1HD ARG 18 -5.373 10.067 4.280
132 HE ARG 18 HE ARG 18 -3.499 8.420 5.574
133 1HH1 ARG 18 1HH1 ARG 18 -5.506 8.442 2.693
134 2HH1 ARG 18 2HH1 ARG 18 -5.533 6.708 2.559
135 1HH2 ARG 18 1HH2 ARG 18 -3.589 6.124 5.376
136 2HH2 ARG 18 2HH2 ARG 18 -4.467 5.419 4.048
137 H CYS 19 H CYS 19 -0.162 7.037 1.867
138 HA CYS 19 HA CYS 19 -2.236 5.882 0.235
139 1HB CYS 19 2HB CYS 19 -0.126 7.683 -0.814
140 2HB CYS 19 1HB CYS 19 -0.425 6.209 -1.713
141 H SER 20 H SER 20 -1.537 4.250 1.865
142 HA SER 20 HA SER 20 1.030 2.998 1.168
143 1HB SER 20 2HB SER 20 -0.598 2.267 3.564
144 2HB SER 20 1HB SER 20 1.136 2.115 3.317
145 HG SER 20 HG SER 20 0.377 4.685 3.080
146 H CYS 21 H CYS 21 1.215 0.843 0.820
147 HA CYS 21 HA CYS 21 -1.033 -0.338 -0.506
148 1HB CYS 21 2HB CYS 21 1.131 -0.648 -1.504
149 2HB CYS 21 1HB CYS 21 1.776 -1.353 -0.027
150 H SER 22 H SER 22 -2.542 -0.726 1.013
151 HA SER 22 HA SER 22 -1.890 -2.509 3.231
152 1HB SER 22 2HB SER 22 -3.250 -0.632 3.888
153 2HB SER 22 1HB SER 22 -4.344 -0.873 2.529
154 HG SER 22 HG SER 22 -3.988 -2.725 4.654
155 H TYR 23 H TYR 23 -1.400 -4.207 1.818
156 HA TYR 23 HA TYR 23 -2.604 -5.235 -0.285
157 1HB TYR 23 2HB TYR 23 -1.671 -7.328 0.175
158 2HB TYR 23 1HB TYR 23 -0.649 -6.198 1.049
159 HD1 TYR 23 1HD TYR 23 -3.204 -8.818 1.371
160 HD2 TYR 23 2HD TYR 23 -0.537 -6.237 3.456
161 HE1 TYR 23 1HE TYR 23 -3.548 -10.128 3.428
162 HE2 TYR 23 2HE TYR 23 -0.876 -7.537 5.515
163 HH TYR 23 HH TYR 23 -3.361 -9.661 5.960
164 HA PRO 24 HA PRO 24 -3.227 -6.176 -1.439
165 1HB PRO 24 2HB PRO 24 -5.033 -7.110 -3.137
166 2HB PRO 24 1HB PRO 24 -4.333 -8.165 -1.910
167 1HG PRO 24 2HG PRO 24 -7.044 -6.970 -2.042
168 2HG PRO 24 1HG PRO 24 -6.513 -8.471 -1.269
169 1HD PRO 24 2HD PRO 24 -6.899 -5.882 -0.059
170 2HD PRO 24 1HD PRO 24 -6.396 -7.394 0.724
171 H VAL 25 H VAL 25 -4.521 -3.652 -0.420
172 HA VAL 25 HA VAL 25 -4.901 -2.402 -3.039
173 HB VAL 25 HB VAL 25 -6.925 -1.733 -0.933
174 1HG1 VAL 25 1HG1 VAL 25 -8.027 -1.395 -3.441
175 2HG1 VAL 25 2HG1 VAL 25 -6.343 -0.909 -3.637
176 3HG1 VAL 25 3HG1 VAL 25 -7.347 -0.139 -2.407
177 1HG2 VAL 25 1HG2 VAL 25 -8.456 -3.316 -1.548
178 2HG2 VAL 25 2HG2 VAL 25 -6.969 -4.243 -1.750
179 3HG2 VAL 25 3HG2 VAL 25 -7.759 -3.525 -3.155
180 H CYS 26 H CYS 26 -4.185 -0.345 -3.090
181 HA CYS 26 HA CYS 26 -2.738 0.677 -0.847
182 1HB CYS 26 2HB CYS 26 -3.376 1.808 -3.581
183 2HB CYS 26 1HB CYS 26 -2.290 2.557 -2.432
184 H LYS 27 H LYS 27 -3.470 2.134 0.661
185 HA LYS 27 HA LYS 27 -5.699 3.854 0.058
186 1HB LYS 27 2HB LYS 27 -6.986 3.078 2.006
187 2HB LYS 27 1HB LYS 27 -6.861 1.848 0.766
188 1HG LYS 27 2HG LYS 27 -5.062 0.778 2.072
189 2HG LYS 27 1HG LYS 27 -5.291 1.991 3.333
190 1HD LYS 27 2HD LYS 27 -6.494 0.036 3.989
191 2HD LYS 27 1HD LYS 27 -7.678 1.246 3.495
192 1HE LYS 27 2HE LYS 27 -8.339 -0.862 2.576
193 2HE LYS 27 1HE LYS 27 -7.760 0.154 1.257
194 1HZ LYS 27 1HZ LYS 27 -6.975 -2.243 1.310
195 2HZ LYS 27 2HZ LYS 27 -5.991 -1.796 2.611
196 3HZ LYS 27 3HZ LYS 27 -5.783 -1.061 1.098
Start of MODEL 19
1 1H SER 1 1HT SER 1 -4.843 6.558 2.028
2 2H SER 1 2HT SER 1 -5.334 8.158 2.301
3 3H SER 1 3HT SER 1 -3.711 7.823 1.958
4 HA SER 1 HA SER 1 -4.725 6.786 -0.193
5 1HB SER 1 2HB SER 1 -6.686 8.991 0.465
6 2HB SER 1 1HB SER 1 -6.754 7.851 -0.880
7 HG SER 1 HG SER 1 -6.769 6.229 1.010
8 H ALA 2 H ALA 2 -3.537 7.639 -1.776
9 HA ALA 2 HA ALA 2 -3.007 10.511 -1.845
10 1HB ALA 2 1HB ALA 2 -1.056 8.503 -1.118
11 2HB ALA 2 2HB ALA 2 -0.931 10.262 -1.070
12 3HB ALA 2 3HB ALA 2 -0.565 9.391 -2.560
13 H ILE 3 H ILE 3 -1.856 11.067 -3.941
14 HA ILE 3 HA ILE 3 -3.387 10.213 -6.107
15 HB ILE 3 HB ILE 3 -0.671 11.533 -6.205
16 1HG1 ILE 3 2HG1 ILE 3 -3.433 12.773 -6.111
17 2HG1 ILE 3 1HG1 ILE 3 -2.271 12.766 -4.789
18 1HG2 ILE 3 1HG2 ILE 3 -2.800 11.052 -8.237
19 2HG2 ILE 3 2HG2 ILE 3 -1.048 10.931 -8.392
20 3HG2 ILE 3 3HG2 ILE 3 -1.821 12.516 -8.341
21 1HD1 ILE 3 1HD1 ILE 3 -2.561 14.652 -6.867
22 2HD1 ILE 3 2HD1 ILE 3 -1.005 13.854 -7.085
23 3HD1 ILE 3 3HD1 ILE 3 -1.385 14.639 -5.552
24 H SER 4 H SER 4 -0.093 9.298 -5.144
25 HA SER 4 HA SER 4 0.295 7.561 -7.367
26 1HB SER 4 2HB SER 4 1.859 7.765 -4.797
27 2HB SER 4 1HB SER 4 2.398 7.078 -6.320
28 HG SER 4 HG SER 4 2.197 9.163 -7.249
29 H CYS 5 H CYS 5 -2.059 6.779 -6.026
30 HA CYS 5 HA CYS 5 -1.316 4.096 -5.241
31 1HB CYS 5 2HB CYS 5 -3.294 5.843 -3.738
32 2HB CYS 5 1HB CYS 5 -2.943 4.163 -3.414
33 H GLY 6 H GLY 6 -4.484 4.565 -4.591
34 1HA GLY 6 2HA GLY 6 -6.433 3.910 -5.610
35 2HA GLY 6 1HA GLY 6 -5.863 4.899 -6.938
36 H GLU 7 H GLU 7 -4.639 1.803 -5.676
37 HA GLU 7 HA GLU 7 -5.585 0.394 -8.021
38 1HB GLU 7 2HB GLU 7 -3.466 -0.228 -8.889
39 2HB GLU 7 1HB GLU 7 -3.364 1.510 -8.634
40 1HG GLU 7 2HG GLU 7 -2.094 1.227 -6.648
41 2HG GLU 7 1HG GLU 7 -2.390 -0.508 -6.635
42 H THR 8 H THR 8 -4.716 -1.939 -7.930
43 HA THR 8 HA THR 8 -4.990 -2.876 -5.178
44 HB THR 8 HB THR 8 -5.132 -5.149 -6.298
45 HG1 THR 8 1HG THR 8 -4.177 -4.175 -8.324
46 1HG2 THR 8 1HG2 THR 8 -7.137 -4.052 -5.528
47 2HG2 THR 8 2HG2 THR 8 -7.462 -4.769 -7.106
48 3HG2 THR 8 3HG2 THR 8 -7.183 -3.033 -6.966
49 H CYS 9 H CYS 9 -3.396 -4.087 -4.162
50 HA CYS 9 HA CYS 9 -1.007 -4.806 -5.605
51 1HB CYS 9 2HB CYS 9 0.475 -3.553 -4.041
52 2HB CYS 9 1HB CYS 9 -0.500 -2.502 -5.061
53 H PHE 10 H PHE 10 -0.995 -6.853 -5.044
54 HA PHE 10 HA PHE 10 -1.913 -7.908 -2.605
55 1HB PHE 10 2HB PHE 10 -0.244 -9.057 -4.833
56 2HB PHE 10 1HB PHE 10 -0.676 -9.994 -3.412
57 HD1 PHE 10 1HD PHE 10 -2.405 -11.452 -3.752
58 HD2 PHE 10 2HD PHE 10 -2.468 -7.701 -5.761
59 HE1 PHE 10 1HE PHE 10 -4.551 -12.050 -4.797
60 HE2 PHE 10 2HE PHE 10 -4.614 -8.291 -6.806
61 HZ PHE 10 HZ PHE 10 -5.659 -10.468 -6.325
62 H LYS 11 H LYS 11 1.226 -6.821 -3.674
63 HA LYS 11 HA LYS 11 2.498 -7.825 -1.246
64 1HB LYS 11 2HB LYS 11 3.671 -6.448 -3.674
65 2HB LYS 11 1HB LYS 11 4.607 -7.015 -2.299
66 1HG LYS 11 2HG LYS 11 3.801 -9.315 -2.769
67 2HG LYS 11 1HG LYS 11 3.019 -8.698 -4.224
68 1HD LYS 11 2HD LYS 11 5.974 -8.514 -3.635
69 2HD LYS 11 1HD LYS 11 5.227 -9.729 -4.671
70 1HE LYS 11 2HE LYS 11 4.402 -7.934 -6.142
71 2HE LYS 11 1HE LYS 11 5.201 -6.743 -5.116
72 1HZ LYS 11 1HZ LYS 11 6.623 -8.942 -6.518
73 2HZ LYS 11 2HZ LYS 11 7.322 -7.644 -5.688
74 3HZ LYS 11 3HZ LYS 11 6.478 -7.370 -7.129
75 H PHE 12 H PHE 12 4.272 -5.241 -2.067
76 HA PHE 12 HA PHE 12 2.741 -3.292 -0.495
77 1HB PHE 12 2HB PHE 12 5.649 -4.040 -0.095
78 2HB PHE 12 1HB PHE 12 4.915 -2.592 0.579
79 HD1 PHE 12 1HD PHE 12 4.667 -6.300 0.589
80 HD2 PHE 12 2HD PHE 12 3.839 -2.660 2.632
81 HE1 PHE 12 1HE PHE 12 3.966 -7.577 2.571
82 HE2 PHE 12 2HE PHE 12 3.137 -3.931 4.619
83 HZ PHE 12 HZ PHE 12 3.200 -6.393 4.590
84 H LYS 13 H LYS 13 2.274 -2.473 -2.643
85 HA LYS 13 HA LYS 13 4.515 -1.431 -4.140
86 1HB LYS 13 2HB LYS 13 2.544 -2.575 -5.215
87 2HB LYS 13 1HB LYS 13 1.586 -1.166 -4.797
88 1HG LYS 13 2HG LYS 13 4.059 -0.975 -6.496
89 2HG LYS 13 1HG LYS 13 2.467 -1.312 -7.173
90 1HD LYS 13 2HD LYS 13 1.663 0.807 -6.084
91 2HD LYS 13 1HD LYS 13 3.342 1.153 -5.671
92 1HE LYS 13 2HE LYS 13 2.799 2.336 -7.681
93 2HE LYS 13 1HE LYS 13 3.902 1.024 -8.089
94 1HZ LYS 13 1HZ LYS 13 2.384 0.105 -9.412
95 2HZ LYS 13 2HZ LYS 13 1.500 1.536 -9.277
96 3HZ LYS 13 3HZ LYS 13 1.153 0.232 -8.256
97 H CYS 14 H CYS 14 1.585 -0.066 -2.671
98 HA CYS 14 HA CYS 14 2.622 2.601 -3.086
99 1HB CYS 14 2HB CYS 14 0.071 1.669 -1.762
100 2HB CYS 14 1HB CYS 14 0.482 3.345 -2.112
101 H TYR 15 H TYR 15 3.569 3.841 -1.677
102 HA TYR 15 HA TYR 15 3.307 3.473 1.167
103 1HB TYR 15 2HB TYR 15 5.899 3.460 1.373
104 2HB TYR 15 1HB TYR 15 5.071 1.947 1.027
105 HD1 TYR 15 1HD TYR 15 6.577 4.813 -0.870
106 HD2 TYR 15 2HD TYR 15 5.995 0.603 -0.588
107 HE1 TYR 15 1HE TYR 15 7.988 4.490 -2.857
108 HE2 TYR 15 2HE TYR 15 7.411 0.273 -2.573
109 HH TYR 15 HH TYR 15 8.556 1.252 -4.199
110 H THR 16 H THR 16 2.748 5.371 -0.937
111 HA THR 16 HA THR 16 4.499 7.616 -0.726
112 HB THR 16 HB THR 16 1.609 7.718 -1.589
113 HG1 THR 16 1HG THR 16 3.691 6.969 -3.356
114 1HG2 THR 16 1HG2 THR 16 2.953 9.810 -1.549
115 2HG2 THR 16 2HG2 THR 16 2.398 9.375 -3.166
116 3HG2 THR 16 3HG2 THR 16 4.071 9.074 -2.697
117 HA PRO 17 HA PRO 17 3.334 9.364 3.185
118 1HB PRO 17 2HB PRO 17 2.734 11.955 2.137
119 2HB PRO 17 1HB PRO 17 4.204 11.433 2.960
120 1HG PRO 17 2HG PRO 17 3.648 11.685 0.063
121 2HG PRO 17 1HG PRO 17 5.189 11.804 0.931
122 1HD PRO 17 2HD PRO 17 4.596 9.668 -0.575
123 2HD PRO 17 1HD PRO 17 5.496 9.500 0.949
124 H ARG 18 H ARG 18 1.505 9.193 4.228
125 HA ARG 18 HA ARG 18 -0.667 9.224 4.841
126 1HB ARG 18 2HB ARG 18 -0.455 11.599 3.948
127 2HB ARG 18 1HB ARG 18 -1.191 11.002 2.476
128 1HG ARG 18 2HG ARG 18 -3.134 10.239 3.928
129 2HG ARG 18 1HG ARG 18 -2.406 11.202 5.214
130 1HD ARG 18 2HD ARG 18 -4.045 12.560 4.147
131 2HD ARG 18 1HD ARG 18 -2.462 13.161 3.655
132 HE ARG 18 HE ARG 18 -3.386 11.272 1.775
133 1HH1 ARG 18 1HH1 ARG 18 -3.972 14.550 2.846
134 2HH1 ARG 18 2HH1 ARG 18 -4.629 15.067 1.329
135 1HH2 ARG 18 1HH2 ARG 18 -4.246 11.935 -0.221
136 2HH2 ARG 18 2HH2 ARG 18 -4.782 13.573 -0.430
137 H CYS 19 H CYS 19 0.434 7.327 2.799
138 HA CYS 19 HA CYS 19 -2.100 6.130 2.065
139 1HB CYS 19 2HB CYS 19 -1.399 7.622 0.117
140 2HB CYS 19 1HB CYS 19 -0.026 6.541 -0.095
141 H SER 20 H SER 20 -1.908 3.864 1.678
142 HA SER 20 HA SER 20 0.742 2.697 1.854
143 1HB SER 20 2HB SER 20 -0.309 1.188 3.762
144 2HB SER 20 1HB SER 20 0.552 2.680 4.121
145 HG SER 20 HG SER 20 -2.009 3.245 3.591
146 H CYS 21 H CYS 21 0.898 0.617 1.229
147 HA CYS 21 HA CYS 21 -1.279 -0.308 -0.418
148 1HB CYS 21 2HB CYS 21 0.929 -0.586 -1.335
149 2HB CYS 21 1HB CYS 21 1.495 -1.440 0.092
150 H SER 22 H SER 22 -2.901 -0.821 0.911
151 HA SER 22 HA SER 22 -2.499 -2.614 3.160
152 1HB SER 22 2HB SER 22 -4.045 -0.620 3.295
153 2HB SER 22 1HB SER 22 -5.069 -1.393 2.088
154 HG SER 22 HG SER 22 -4.975 -3.237 3.736
155 H TYR 23 H TYR 23 -1.725 -4.279 1.775
156 HA TYR 23 HA TYR 23 -2.669 -5.423 -0.397
157 1HB TYR 23 2HB TYR 23 -1.592 -7.393 0.167
158 2HB TYR 23 1HB TYR 23 -0.806 -6.220 1.211
159 HD1 TYR 23 1HD TYR 23 -0.965 -6.394 3.595
160 HD2 TYR 23 2HD TYR 23 -3.207 -9.012 1.098
161 HE1 TYR 23 1HE TYR 23 -1.453 -7.819 5.537
162 HE2 TYR 23 2HE TYR 23 -3.707 -10.441 3.037
163 HH TYR 23 HH TYR 23 -3.838 -10.061 5.617
164 HA PRO 24 HA PRO 24 -3.180 -6.290 -1.607
165 1HB PRO 24 2HB PRO 24 -4.798 -7.294 -3.451
166 2HB PRO 24 1HB PRO 24 -4.114 -8.333 -2.199
167 1HG PRO 24 2HG PRO 24 -6.886 -7.331 -2.505
168 2HG PRO 24 1HG PRO 24 -6.302 -8.796 -1.698
169 1HD PRO 24 2HD PRO 24 -6.944 -6.231 -0.521
170 2HD PRO 24 1HD PRO 24 -6.436 -7.724 0.298
171 H VAL 25 H VAL 25 -4.543 -3.827 -0.684
172 HA VAL 25 HA VAL 25 -4.979 -2.632 -3.325
173 HB VAL 25 HB VAL 25 -6.974 -1.994 -1.182
174 1HG1 VAL 25 1HG1 VAL 25 -6.628 -0.440 -3.066
175 2HG1 VAL 25 2HG1 VAL 25 -8.270 -1.074 -2.970
176 3HG1 VAL 25 3HG1 VAL 25 -7.146 -1.715 -4.169
177 1HG2 VAL 25 1HG2 VAL 25 -7.677 -4.153 -1.392
178 2HG2 VAL 25 2HG2 VAL 25 -7.031 -4.320 -3.025
179 3HG2 VAL 25 3HG2 VAL 25 -8.535 -3.438 -2.758
180 H CYS 26 H CYS 26 -4.379 -0.523 -3.435
181 HA CYS 26 HA CYS 26 -2.885 0.597 -1.267
182 1HB CYS 26 2HB CYS 26 -3.681 1.628 -3.993
183 2HB CYS 26 1HB CYS 26 -2.663 2.513 -2.876
184 H LYS 27 H LYS 27 -3.593 2.059 0.214
185 HA LYS 27 HA LYS 27 -6.022 3.580 -0.297
186 1HB LYS 27 2HB LYS 27 -6.940 1.563 0.618
187 2HB LYS 27 1HB LYS 27 -5.720 1.501 1.877
188 1HG LYS 27 2HG LYS 27 -6.750 3.665 2.749
189 2HG LYS 27 1HG LYS 27 -8.103 3.308 1.670
190 1HD LYS 27 2HD LYS 27 -8.538 2.442 3.910
191 2HD LYS 27 1HD LYS 27 -8.375 1.121 2.750
192 1HE LYS 27 2HE LYS 27 -5.943 0.987 3.457
193 2HE LYS 27 1HE LYS 27 -6.367 2.067 4.783
194 1HZ LYS 27 1HZ LYS 27 -6.684 -0.716 4.627
195 2HZ LYS 27 2HZ LYS 27 -8.221 -0.015 4.753
196 3HZ LYS 27 3HZ LYS 27 -7.044 0.316 5.921
Start of MODEL 20
1 1H SER 1 1HT SER 1 -3.672 7.777 1.030
2 2H SER 1 2HT SER 1 -4.771 6.481 0.954
3 3H SER 1 3HT SER 1 -5.235 8.028 0.433
4 HA SER 1 HA SER 1 -3.229 6.264 -0.827
5 1HB SER 1 2HB SER 1 -5.827 5.974 -1.078
6 2HB SER 1 1HB SER 1 -5.708 7.404 -2.102
7 HG SER 1 HG SER 1 -5.016 4.825 -2.626
8 H ALA 2 H ALA 2 -1.755 7.247 -2.081
9 HA ALA 2 HA ALA 2 -1.923 10.162 -2.340
10 1HB ALA 2 1HB ALA 2 0.110 8.954 -1.330
11 2HB ALA 2 2HB ALA 2 0.406 10.207 -2.536
12 3HB ALA 2 3HB ALA 2 0.492 8.505 -2.993
13 H ILE 3 H ILE 3 -0.433 10.706 -4.482
14 HA ILE 3 HA ILE 3 -2.146 10.239 -6.648
15 HB ILE 3 HB ILE 3 0.739 11.140 -6.723
16 1HG1 ILE 3 2HG1 ILE 3 -0.612 12.598 -5.302
17 2HG1 ILE 3 1HG1 ILE 3 -0.197 13.424 -6.799
18 1HG2 ILE 3 1HG2 ILE 3 0.282 10.619 -8.921
19 2HG2 ILE 3 2HG2 ILE 3 -0.189 12.318 -8.848
20 3HG2 ILE 3 3HG2 ILE 3 -1.421 11.056 -8.783
21 1HD1 ILE 3 1HD1 ILE 3 -2.352 13.940 -6.932
22 2HD1 ILE 3 2HD1 ILE 3 -2.793 12.765 -5.693
23 3HD1 ILE 3 3HD1 ILE 3 -2.622 12.253 -7.373
24 H SER 4 H SER 4 0.947 8.788 -5.727
25 HA SER 4 HA SER 4 1.018 7.034 -7.990
26 1HB SER 4 2HB SER 4 2.683 6.997 -5.472
27 2HB SER 4 1HB SER 4 3.067 6.265 -7.020
28 HG SER 4 HG SER 4 3.686 8.139 -7.774
29 H CYS 5 H CYS 5 -1.360 6.705 -6.395
30 HA CYS 5 HA CYS 5 -1.045 3.914 -5.669
31 1HB CYS 5 2HB CYS 5 -2.598 5.945 -4.038
32 2HB CYS 5 1HB CYS 5 -2.389 4.246 -3.687
33 H GLY 6 H GLY 6 -3.989 4.976 -4.728
34 1HA GLY 6 2HA GLY 6 -6.117 4.732 -5.528
35 2HA GLY 6 1HA GLY 6 -5.495 5.532 -6.952
36 H GLU 7 H GLU 7 -4.719 2.266 -5.738
37 HA GLU 7 HA GLU 7 -6.394 0.965 -7.630
38 1HB GLU 7 2HB GLU 7 -4.716 0.020 -9.095
39 2HB GLU 7 1HB GLU 7 -4.716 1.771 -9.195
40 1HG GLU 7 2HG GLU 7 -2.574 1.817 -8.731
41 2HG GLU 7 1HG GLU 7 -2.849 0.983 -7.206
42 H THR 8 H THR 8 -4.918 -1.338 -7.997
43 HA THR 8 HA THR 8 -5.322 -2.609 -5.451
44 HB THR 8 HB THR 8 -4.591 -4.677 -6.721
45 HG1 THR 8 1HG THR 8 -3.835 -2.799 -8.509
46 1HG2 THR 8 1HG2 THR 8 -6.992 -3.573 -6.531
47 2HG2 THR 8 2HG2 THR 8 -6.707 -4.994 -7.537
48 3HG2 THR 8 3HG2 THR 8 -6.782 -3.393 -8.273
49 H CYS 9 H CYS 9 -3.708 -3.983 -4.399
50 HA CYS 9 HA CYS 9 -0.945 -3.513 -5.117
51 1HB CYS 9 2HB CYS 9 -1.580 -1.567 -3.678
52 2HB CYS 9 1HB CYS 9 -1.908 -2.703 -2.372
53 H PHE 10 H PHE 10 -0.942 -5.756 -5.449
54 HA PHE 10 HA PHE 10 -1.549 -7.531 -3.262
55 1HB PHE 10 2HB PHE 10 -0.523 -7.967 -6.065
56 2HB PHE 10 1HB PHE 10 -0.719 -9.274 -4.912
57 HD1 PHE 10 1HD PHE 10 -2.593 -10.537 -5.225
58 HD2 PHE 10 2HD PHE 10 -2.773 -6.372 -6.084
59 HE1 PHE 10 1HE PHE 10 -4.947 -10.780 -5.899
60 HE2 PHE 10 2HE PHE 10 -5.127 -6.608 -6.754
61 HZ PHE 10 HZ PHE 10 -6.217 -8.814 -6.663
62 H LYS 11 H LYS 11 0.386 -5.838 -2.393
63 HA LYS 11 HA LYS 11 2.375 -7.532 -1.431
64 1HB LYS 11 2HB LYS 11 3.140 -7.270 -3.878
65 2HB LYS 11 1HB LYS 11 3.550 -5.616 -3.448
66 1HG LYS 11 2HG LYS 11 5.183 -6.331 -1.888
67 2HG LYS 11 1HG LYS 11 4.631 -8.003 -1.974
68 1HD LYS 11 2HD LYS 11 6.673 -7.778 -3.232
69 2HD LYS 11 1HD LYS 11 5.339 -8.071 -4.347
70 1HE LYS 11 2HE LYS 11 5.241 -5.693 -4.872
71 2HE LYS 11 1HE LYS 11 6.539 -5.374 -3.721
72 1HZ LYS 11 1HZ LYS 11 7.734 -5.513 -5.632
73 2HZ LYS 11 2HZ LYS 11 6.668 -6.594 -6.377
74 3HZ LYS 11 3HZ LYS 11 7.756 -7.152 -5.207
75 H PHE 12 H PHE 12 3.884 -4.616 -2.200
76 HA PHE 12 HA PHE 12 2.652 -3.039 -0.122
77 1HB PHE 12 2HB PHE 12 4.928 -2.713 1.017
78 2HB PHE 12 1HB PHE 12 4.069 -4.210 1.343
79 HD1 PHE 12 1HD PHE 12 6.492 -2.971 -1.236
80 HD2 PHE 12 2HD PHE 12 5.392 -6.056 1.481
81 HE1 PHE 12 1HE PHE 12 8.475 -4.263 -1.906
82 HE2 PHE 12 2HE PHE 12 7.373 -7.353 0.815
83 HZ PHE 12 HZ PHE 12 8.918 -6.457 -0.880
84 H LYS 13 H LYS 13 2.786 -2.565 -2.857
85 HA LYS 13 HA LYS 13 4.975 -0.702 -3.214
86 1HB LYS 13 2HB LYS 13 4.031 -0.462 -5.571
87 2HB LYS 13 1HB LYS 13 4.709 -2.017 -5.134
88 1HG LYS 13 2HG LYS 13 2.760 -2.496 -6.344
89 2HG LYS 13 1HG LYS 13 2.338 -2.773 -4.657
90 1HD LYS 13 2HD LYS 13 0.516 -1.618 -5.668
91 2HD LYS 13 1HD LYS 13 1.344 -0.469 -4.620
92 1HE LYS 13 2HE LYS 13 0.907 0.730 -6.582
93 2HE LYS 13 1HE LYS 13 2.602 0.269 -6.718
94 1HZ LYS 13 1HZ LYS 13 1.361 -1.790 -7.911
95 2HZ LYS 13 2HZ LYS 13 1.974 -0.448 -8.729
96 3HZ LYS 13 3HZ LYS 13 0.328 -0.513 -8.329
97 H CYS 14 H CYS 14 3.087 0.112 -1.292
98 HA CYS 14 HA CYS 14 2.327 2.633 -2.550
99 1HB CYS 14 2HB CYS 14 0.450 0.923 -0.920
100 2HB CYS 14 1HB CYS 14 0.158 2.622 -1.282
101 H TYR 15 H TYR 15 4.507 2.566 -1.238
102 HA TYR 15 HA TYR 15 4.045 3.251 1.560
103 1HB TYR 15 2HB TYR 15 6.663 3.496 1.410
104 2HB TYR 15 1HB TYR 15 5.922 1.902 1.484
105 HD1 TYR 15 1HD TYR 15 6.485 0.313 -0.101
106 HD2 TYR 15 2HD TYR 15 7.132 4.425 -0.998
107 HE1 TYR 15 1HE TYR 15 7.622 -0.323 -2.188
108 HE2 TYR 15 2HE TYR 15 8.263 3.797 -3.089
109 HH TYR 15 HH TYR 15 8.938 2.134 -4.392
110 H THR 16 H THR 16 3.252 4.833 -0.836
111 HA THR 16 HA THR 16 4.845 7.206 -0.885
112 HB THR 16 HB THR 16 2.012 7.285 -1.805
113 HG1 THR 16 1HG THR 16 2.200 5.662 -3.186
114 1HG2 THR 16 1HG2 THR 16 3.868 7.825 -3.861
115 2HG2 THR 16 2HG2 THR 16 4.508 8.564 -2.394
116 3HG2 THR 16 3HG2 THR 16 2.890 8.980 -2.955
117 HA PRO 17 HA PRO 17 3.365 9.296 2.749
118 1HB PRO 17 2HB PRO 17 3.050 11.636 0.916
119 2HB PRO 17 1HB PRO 17 3.851 11.541 2.490
120 1HG PRO 17 2HG PRO 17 5.285 11.590 0.253
121 2HG PRO 17 1HG PRO 17 5.755 10.546 1.608
122 1HD PRO 17 2HD PRO 17 4.475 9.826 -0.985
123 2HD PRO 17 1HD PRO 17 5.632 8.907 -0.002
124 H ARG 18 H ARG 18 1.413 9.292 3.636
125 HA ARG 18 HA ARG 18 -0.824 9.352 3.973
126 1HB ARG 18 2HB ARG 18 -0.510 11.679 3.070
127 2HB ARG 18 1HB ARG 18 -0.933 11.062 1.486
128 1HG ARG 18 2HG ARG 18 -2.828 12.165 2.514
129 2HG ARG 18 1HG ARG 18 -3.152 10.442 2.324
130 1HD ARG 18 2HD ARG 18 -3.915 11.194 4.495
131 2HD ARG 18 1HD ARG 18 -2.558 10.087 4.683
132 HE ARG 18 HE ARG 18 -1.423 11.759 5.721
133 1HH1 ARG 18 1HH1 ARG 18 -3.924 13.248 3.767
134 2HH1 ARG 18 2HH1 ARG 18 -3.571 14.853 4.308
135 1HH2 ARG 18 1HH2 ARG 18 -0.958 13.883 6.439
136 2HH2 ARG 18 2HH2 ARG 18 -1.882 15.215 5.830
137 H CYS 19 H CYS 19 0.326 7.219 2.572
138 HA CYS 19 HA CYS 19 -2.018 6.141 1.245
139 1HB CYS 19 2HB CYS 19 -0.692 7.136 -0.598
140 2HB CYS 19 1HB CYS 19 0.698 6.180 -0.101
141 H SER 20 H SER 20 -2.075 3.860 1.316
142 HA SER 20 HA SER 20 0.178 2.508 2.575
143 1HB SER 20 2HB SER 20 -1.804 1.427 4.056
144 2HB SER 20 1HB SER 20 -0.771 2.745 4.593
145 HG SER 20 HG SER 20 -2.808 3.715 3.134
146 H CYS 21 H CYS 21 0.467 0.549 1.970
147 HA CYS 21 HA CYS 21 -1.459 -0.580 0.099
148 1HB CYS 21 2HB CYS 21 0.740 -0.513 -0.811
149 2HB CYS 21 1HB CYS 21 1.450 -1.256 0.614
150 H SER 22 H SER 22 -2.992 -1.387 1.355
151 HA SER 22 HA SER 22 -2.308 -3.317 3.443
152 1HB SER 22 2HB SER 22 -3.982 -1.532 3.958
153 2HB SER 22 1HB SER 22 -4.996 -2.137 2.651
154 HG SER 22 HG SER 22 -4.783 -4.229 3.920
155 H TYR 23 H TYR 23 -1.457 -4.644 1.699
156 HA TYR 23 HA TYR 23 -2.581 -5.566 -0.524
157 1HB TYR 23 2HB TYR 23 -1.206 -7.450 -0.436
158 2HB TYR 23 1HB TYR 23 -0.378 -6.276 0.574
159 HD1 TYR 23 1HD TYR 23 -0.063 -6.671 2.921
160 HD2 TYR 23 2HD TYR 23 -2.349 -9.384 0.569
161 HE1 TYR 23 1HE TYR 23 0.035 -8.321 4.742
162 HE2 TYR 23 2HE TYR 23 -2.263 -11.039 2.388
163 HH TYR 23 HH TYR 23 -1.949 -10.996 4.904
164 HA PRO 24 HA PRO 24 -3.082 -6.535 -1.798
165 1HB PRO 24 2HB PRO 24 -4.846 -7.526 -3.512
166 2HB PRO 24 1HB PRO 24 -3.866 -8.599 -2.511
167 1HG PRO 24 2HG PRO 24 -6.742 -7.903 -2.278
168 2HG PRO 24 1HG PRO 24 -5.902 -9.391 -1.808
169 1HD PRO 24 2HD PRO 24 -6.618 -7.166 -0.141
170 2HD PRO 24 1HD PRO 24 -5.743 -8.639 0.324
171 H VAL 25 H VAL 25 -4.506 -4.394 -0.401
172 HA VAL 25 HA VAL 25 -5.741 -3.096 -2.750
173 HB VAL 25 HB VAL 25 -6.702 -2.575 0.051
174 1HG1 VAL 25 1HG1 VAL 25 -7.104 -1.242 -2.329
175 2HG1 VAL 25 2HG1 VAL 25 -8.064 -1.077 -0.860
176 3HG1 VAL 25 3HG1 VAL 25 -8.575 -2.195 -2.125
177 1HG2 VAL 25 1HG2 VAL 25 -8.643 -4.001 -0.402
178 2HG2 VAL 25 2HG2 VAL 25 -7.142 -4.927 -0.396
179 3HG2 VAL 25 3HG2 VAL 25 -7.911 -4.504 -1.925
180 H CYS 26 H CYS 26 -5.320 -0.928 -2.978
181 HA CYS 26 HA CYS 26 -3.304 0.178 -1.138
182 1HB CYS 26 2HB CYS 26 -2.446 -0.261 -3.405
183 2HB CYS 26 1HB CYS 26 -3.718 0.749 -4.082
184 H LYS 27 H LYS 27 -3.989 1.866 0.028
185 HA LYS 27 HA LYS 27 -5.872 3.759 -1.100
186 1HB LYS 27 2HB LYS 27 -7.283 3.565 0.965
187 2HB LYS 27 1HB LYS 27 -7.381 2.179 -0.107
188 1HG LYS 27 2HG LYS 27 -5.824 0.967 1.332
189 2HG LYS 27 1HG LYS 27 -5.724 2.364 2.403
190 1HD LYS 27 2HD LYS 27 -8.122 2.168 2.868
191 2HD LYS 27 1HD LYS 27 -8.209 0.761 1.804
192 1HE LYS 27 2HE LYS 27 -6.622 -0.421 3.245
193 2HE LYS 27 1HE LYS 27 -6.537 0.985 4.306
194 1HZ LYS 27 1HZ LYS 27 -8.046 -0.486 5.301
195 2HZ LYS 27 2HZ LYS 27 -8.840 -0.813 3.844
196 3HZ LYS 27 3HZ LYS 27 -9.013 0.700 4.578