NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
14415 |
1wo6   |
6326 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1HT ALA 1 -0.843 5.219 5.717
2 2H ALA 1 2HT ALA 1 -2.452 5.181 5.119
3 3H ALA 1 3HT ALA 1 -1.133 4.890 4.060
4 HA ALA 1 HA ALA 1 -0.576 2.978 5.549
5 1HB ALA 1 1HB ALA 1 -2.202 3.838 7.313
6 2HB ALA 1 2HB ALA 1 -2.243 2.111 6.953
7 3HB ALA 1 3HB ALA 1 -3.479 3.180 6.289
8 H VAL 2 H VAL 2 -2.367 0.927 5.272
9 HA VAL 2 HA VAL 2 -2.565 0.752 2.382
10 HB VAL 2 HB VAL 2 -1.596 -1.131 3.617
11 1HG1 VAL 2 1HG1 VAL 2 -4.313 -1.266 4.907
12 2HG1 VAL 2 2HG1 VAL 2 -2.750 -1.047 5.694
13 3HG1 VAL 2 3HG1 VAL 2 -3.151 -2.592 4.943
14 1HG2 VAL 2 1HG2 VAL 2 -4.233 -1.827 2.324
15 2HG2 VAL 2 2HG2 VAL 2 -2.870 -2.920 2.561
16 3HG2 VAL 2 3HG2 VAL 2 -2.714 -1.539 1.476
17 H TYR 3 H TYR 3 -4.646 1.095 5.146
18 HA TYR 3 HA TYR 3 -7.070 0.202 4.090
19 1HB TYR 3 2HB TYR 3 -6.269 2.084 6.249
20 2HB TYR 3 1HB TYR 3 -7.933 2.178 5.682
21 HD1 TYR 3 1HD TYR 3 -5.432 0.027 7.312
22 HD2 TYR 3 2HD TYR 3 -9.507 0.427 6.161
23 HE1 TYR 3 1HE TYR 3 -6.016 -1.889 8.738
24 HE2 TYR 3 2HE TYR 3 -10.104 -1.487 7.584
25 HH TYR 3 HH TYR 3 -9.269 -2.709 9.472
26 H TYR 4 H TYR 4 -5.303 3.167 3.577
27 HA TYR 4 HA TYR 4 -7.521 4.308 2.047
28 1HB TYR 4 2HB TYR 4 -4.878 5.486 2.925
29 2HB TYR 4 1HB TYR 4 -6.068 6.343 1.948
30 HD1 TYR 4 1HD TYR 4 -4.827 6.406 5.040
31 HD2 TYR 4 2HD TYR 4 -8.597 5.779 3.170
32 HE1 TYR 4 1HE TYR 4 -5.961 7.154 7.090
33 HE2 TYR 4 2HE TYR 4 -9.742 6.524 5.215
34 HH TYR 4 HH TYR 4 -9.274 6.696 7.630
35 H CYS 5 H CYS 5 -5.808 1.993 1.189
36 HA CYS 5 HA CYS 5 -4.391 3.088 -1.109
37 1HB CYS 5 2HB CYS 5 -3.265 1.328 0.123
38 2HB CYS 5 1HB CYS 5 -4.655 0.264 -0.058
39 H ILE 6 H ILE 6 -5.347 3.330 -3.013
40 HA ILE 6 HA ILE 6 -7.905 1.998 -3.502
41 HB ILE 6 HB ILE 6 -8.136 3.569 -5.393
42 1HG1 ILE 6 2HG1 ILE 6 -5.573 4.794 -4.354
43 2HG1 ILE 6 1HG1 ILE 6 -5.690 3.825 -5.819
44 1HG2 ILE 6 1HG2 ILE 6 -8.059 5.698 -3.866
45 2HG2 ILE 6 2HG2 ILE 6 -7.711 4.519 -2.602
46 3HG2 ILE 6 3HG2 ILE 6 -9.201 4.395 -3.537
47 1HD1 ILE 6 1HD1 ILE 6 -6.278 6.619 -5.397
48 2HD1 ILE 6 2HD1 ILE 6 -7.631 5.767 -6.142
49 3HD1 ILE 6 3HD1 ILE 6 -6.039 5.727 -6.899
50 H LEU 7 H LEU 7 -5.494 0.445 -3.672
51 HA LEU 7 HA LEU 7 -5.498 -0.181 -6.551
52 1HB LEU 7 2HB LEU 7 -3.303 0.291 -4.730
53 2HB LEU 7 1HB LEU 7 -3.190 -1.311 -5.433
54 HG LEU 7 HG LEU 7 -3.715 0.941 -7.295
55 1HD1 LEU 7 1HD1 LEU 7 -0.970 0.421 -6.168
56 2HD1 LEU 7 2HD1 LEU 7 -1.981 1.799 -5.733
57 3HD1 LEU 7 3HD1 LEU 7 -1.416 1.608 -7.394
58 1HD2 LEU 7 1HD2 LEU 7 -2.511 -1.754 -7.315
59 2HD2 LEU 7 2HD2 LEU 7 -1.774 -0.561 -8.386
60 3HD2 LEU 7 3HD2 LEU 7 -3.492 -0.937 -8.532
61 HA PRO 8 HA PRO 8 -7.151 -4.082 -5.184
62 1HB PRO 8 2HB PRO 8 -7.002 -5.421 -7.528
63 2HB PRO 8 1HB PRO 8 -8.203 -4.158 -7.232
64 1HG PRO 8 2HG PRO 8 -5.608 -3.996 -8.714
65 2HG PRO 8 1HG PRO 8 -7.186 -3.309 -9.142
66 1HD PRO 8 2HD PRO 8 -5.191 -1.850 -8.007
67 2HD PRO 8 1HD PRO 8 -6.912 -1.495 -7.759
68 H LYS 9 H LYS 9 -4.260 -4.160 -7.267
69 HA LYS 9 HA LYS 9 -3.243 -6.387 -5.626
70 1HB LYS 9 2HB LYS 9 -2.933 -5.772 -8.552
71 2HB LYS 9 1HB LYS 9 -1.768 -6.792 -7.716
72 1HG LYS 9 2HG LYS 9 -3.372 -8.443 -7.267
73 2HG LYS 9 1HG LYS 9 -4.713 -7.362 -7.650
74 1HD LYS 9 2HD LYS 9 -4.083 -7.357 -9.989
75 2HD LYS 9 1HD LYS 9 -2.663 -8.342 -9.635
76 1HE LYS 9 2HE LYS 9 -4.566 -9.907 -8.578
77 2HE LYS 9 1HE LYS 9 -5.512 -9.109 -9.833
78 1HZ LYS 9 1HZ LYS 9 -2.902 -10.179 -10.591
79 2HZ LYS 9 2HZ LYS 9 -4.339 -10.104 -11.480
80 3HZ LYS 9 3HZ LYS 9 -4.139 -11.295 -10.296
81 H CYS 10 H CYS 10 -2.636 -4.402 -4.272
82 HA CYS 10 HA CYS 10 -0.233 -3.055 -5.239
83 1HB CYS 10 2HB CYS 10 -2.320 -2.093 -3.814
84 2HB CYS 10 1HB CYS 10 -1.226 -2.516 -2.502
85 H ALA 11 H ALA 11 -1.144 -4.470 -2.094
86 HA ALA 11 HA ALA 11 1.637 -5.323 -1.746
87 1HB ALA 11 1HB ALA 11 0.496 -5.872 0.630
88 2HB ALA 11 2HB ALA 11 -0.551 -4.566 0.076
89 3HB ALA 11 3HB ALA 11 1.187 -4.303 0.214
90 H ALA 12 H ALA 12 2.225 -7.431 -1.408
91 HA ALA 12 HA ALA 12 0.468 -9.442 -2.444
92 1HB ALA 12 1HB ALA 12 2.303 -10.825 -2.508
93 2HB ALA 12 2HB ALA 12 3.019 -10.125 -1.057
94 3HB ALA 12 3HB ALA 12 3.075 -9.241 -2.582
95 H ALA 13 H ALA 13 1.916 -8.798 0.739
96 HA ALA 13 HA ALA 13 0.056 -10.746 1.919
97 1HB ALA 13 1HB ALA 13 2.452 -9.530 3.270
98 2HB ALA 13 2HB ALA 13 2.539 -10.998 2.298
99 3HB ALA 13 3HB ALA 13 1.540 -10.960 3.751
100 H ALA 14 H ALA 14 -0.648 -8.006 1.103
101 HA ALA 14 HA ALA 14 -1.863 -6.241 1.866
102 1HB ALA 14 1HB ALA 14 -2.923 -8.354 3.065
103 2HB ALA 14 2HB ALA 14 -3.465 -6.712 3.414
104 3HB ALA 14 3HB ALA 14 -2.334 -7.518 4.502
105 H ASN 15 H ASN 15 1.031 -6.417 2.468
106 HA ASN 15 HA ASN 15 1.368 -5.163 5.043
107 1HB ASN 15 2HB ASN 15 3.761 -4.931 4.265
108 2HB ASN 15 1HB ASN 15 3.153 -6.581 4.334
109 1HD2 ASN 15 1HD2 ASN 15 5.318 -6.236 2.882
110 2HD2 ASN 15 2HD2 ASN 15 4.975 -6.278 1.189
111 H VAL 16 H VAL 16 1.938 -3.078 5.460
112 HA VAL 16 HA VAL 16 1.195 -1.160 3.377
113 HB VAL 16 HB VAL 16 0.189 -1.316 5.790
114 1HG1 VAL 16 1HG1 VAL 16 1.237 0.185 7.399
115 2HG1 VAL 16 2HG1 VAL 16 2.593 0.431 6.299
116 3HG1 VAL 16 3HG1 VAL 16 2.301 -1.162 6.997
117 1HG2 VAL 16 1HG2 VAL 16 0.955 1.367 4.647
118 2HG2 VAL 16 2HG2 VAL 16 -0.434 1.003 5.671
119 3HG2 VAL 16 3HG2 VAL 16 -0.351 0.353 4.034
120 H ALA 17 H ALA 17 3.713 -1.779 5.787
121 HA ALA 17 HA ALA 17 5.364 0.385 5.397
122 1HB ALA 17 1HB ALA 17 7.241 -1.182 6.024
123 2HB ALA 17 2HB ALA 17 6.046 -2.478 6.014
124 3HB ALA 17 3HB ALA 17 5.876 -1.131 7.139
125 H ALA 18 H ALA 18 4.814 -2.313 3.280
126 HA ALA 18 HA ALA 18 7.047 -1.522 1.559
127 1HB ALA 18 1HB ALA 18 6.724 -3.923 2.166
128 2HB ALA 18 2HB ALA 18 6.765 -3.609 0.432
129 3HB ALA 18 3HB ALA 18 5.224 -3.899 1.240
130 H HIS 19 H HIS 19 3.608 -1.319 1.801
131 HA HIS 19 HA HIS 19 3.180 -0.867 -1.010
132 1HB HIS 19 2HB HIS 19 1.097 -1.449 -0.424
133 2HB HIS 19 1HB HIS 19 1.546 -1.410 1.273
134 HD2 HIS 19 2HD HIS 19 1.009 1.028 2.597
135 HE1 HIS 19 1HE HIS 19 -1.544 2.450 -0.458
136 HE2 HIS 19 2HE HIS 19 -0.881 2.691 1.980
137 H THR 20 H THR 20 3.088 1.163 1.921
138 HA THR 20 HA THR 20 2.409 3.584 0.873
139 HB THR 20 HB THR 20 2.821 3.216 3.256
140 HG1 THR 20 1HG THR 20 4.453 5.273 2.186
141 1HG2 THR 20 1HG2 THR 20 5.504 3.739 3.630
142 2HG2 THR 20 2HG2 THR 20 5.477 2.512 2.363
143 3HG2 THR 20 3HG2 THR 20 4.680 2.204 3.906
144 H THR 21 H THR 21 5.397 1.880 0.367
145 HA THR 21 HA THR 21 7.151 3.866 -0.360
146 HB THR 21 HB THR 21 7.603 1.396 -0.263
147 HG1 THR 21 1HG THR 21 8.470 2.667 -2.642
148 1HG2 THR 21 1HG2 THR 21 6.807 1.275 -3.139
149 2HG2 THR 21 2HG2 THR 21 5.680 0.834 -1.858
150 3HG2 THR 21 3HG2 THR 21 7.201 -0.040 -2.033
151 H HIS 22 H HIS 22 4.562 2.450 -2.293
152 HA HIS 22 HA HIS 22 5.154 4.335 -4.466
153 1HB HIS 22 2HB HIS 22 3.305 2.886 -5.626
154 2HB HIS 22 1HB HIS 22 4.941 2.257 -5.466
155 HD1 HIS 22 1HD HIS 22 5.037 -0.050 -4.634
156 HD2 HIS 22 2HD HIS 22 1.621 1.909 -3.276
157 HE1 HIS 22 1HE HIS 22 3.765 -1.757 -3.302
158 HE2 HIS 22 2HE HIS 22 1.799 -0.502 -2.360
159 H CYS 23 H CYS 23 2.639 3.345 -2.240
160 HA CYS 23 HA CYS 23 0.731 5.228 -3.302
161 1HB CYS 23 2HB CYS 23 0.773 3.072 -1.264
162 2HB CYS 23 1HB CYS 23 -0.421 4.341 -1.066
163 H PHE 24 H PHE 24 0.452 7.252 -2.614
164 HA PHE 24 HA PHE 24 1.981 8.156 -0.286
165 1HB PHE 24 2HB PHE 24 1.517 10.439 -1.166
166 2HB PHE 24 1HB PHE 24 2.383 9.417 -2.309
167 HD1 PHE 24 1HD PHE 24 -0.756 11.127 -1.577
168 HD2 PHE 24 2HD PHE 24 1.309 8.622 -4.330
169 HE1 PHE 24 1HE PHE 24 -2.478 11.581 -3.276
170 HE2 PHE 24 2HE PHE 24 -0.408 9.072 -6.033
171 HZ PHE 24 HZ PHE 24 -2.305 10.553 -5.508
172 H LYS 25 H LYS 25 -0.408 6.641 0.125
173 HA LYS 25 HA LYS 25 -2.283 6.645 1.410
174 1HB LYS 25 2HB LYS 25 -0.904 9.151 2.305
175 2HB LYS 25 1HB LYS 25 -2.511 8.774 2.914
176 1HG LYS 25 2HG LYS 25 -1.776 7.070 4.200
177 2HG LYS 25 1HG LYS 25 -0.515 6.605 3.056
178 1HD LYS 25 2HD LYS 25 0.462 7.475 5.111
179 2HD LYS 25 1HD LYS 25 0.820 8.541 3.751
180 1HE LYS 25 2HE LYS 25 -1.259 9.850 4.490
181 2HE LYS 25 1HE LYS 25 -1.126 8.947 5.999
182 1HZ LYS 25 1HZ LYS 25 1.347 9.797 5.812
183 2HZ LYS 25 2HZ LYS 25 0.135 10.745 6.515
184 3HZ LYS 25 3HZ LYS 25 0.613 11.032 4.918
Start of MODEL 2
1 1H ALA 1 1HT ALA 1 -1.829 5.443 4.439
2 2H ALA 1 2HT ALA 1 -3.428 4.980 4.024
3 3H ALA 1 3HT ALA 1 -2.130 4.643 2.953
4 HA ALA 1 HA ALA 1 -1.170 3.348 4.886
5 1HB ALA 1 1HB ALA 1 -2.980 4.284 6.415
6 2HB ALA 1 2HB ALA 1 -2.664 2.551 6.509
7 3HB ALA 1 3HB ALA 1 -4.072 3.146 5.628
8 H VAL 2 H VAL 2 -2.467 0.973 5.185
9 HA VAL 2 HA VAL 2 -2.479 -0.014 2.476
10 HB VAL 2 HB VAL 2 -1.395 -1.307 4.261
11 1HG1 VAL 2 1HG1 VAL 2 -4.187 -1.643 5.354
12 2HG1 VAL 2 2HG1 VAL 2 -2.871 -0.743 6.108
13 3HG1 VAL 2 3HG1 VAL 2 -2.752 -2.493 5.928
14 1HG2 VAL 2 1HG2 VAL 2 -2.805 -2.283 2.196
15 2HG2 VAL 2 2HG2 VAL 2 -3.633 -3.091 3.527
16 3HG2 VAL 2 3HG2 VAL 2 -1.894 -3.300 3.313
17 H TYR 3 H TYR 3 -4.821 0.430 5.076
18 HA TYR 3 HA TYR 3 -6.971 -0.855 3.705
19 1HB TYR 3 2HB TYR 3 -6.699 0.804 6.176
20 2HB TYR 3 1HB TYR 3 -8.303 0.597 5.479
21 HD1 TYR 3 1HD TYR 3 -5.454 -1.145 7.033
22 HD2 TYR 3 2HD TYR 3 -9.447 -1.507 5.610
23 HE1 TYR 3 1HE TYR 3 -5.648 -3.326 8.150
24 HE2 TYR 3 2HE TYR 3 -9.653 -3.689 6.726
25 HH TYR 3 HH TYR 3 -7.412 -5.545 7.565
26 H TYR 4 H TYR 4 -5.699 2.392 3.849
27 HA TYR 4 HA TYR 4 -7.971 3.586 2.538
28 1HB TYR 4 2HB TYR 4 -5.326 4.541 3.531
29 2HB TYR 4 1HB TYR 4 -6.145 5.502 2.306
30 HD1 TYR 4 1HD TYR 4 -5.837 4.864 5.772
31 HD2 TYR 4 2HD TYR 4 -8.626 6.121 2.815
32 HE1 TYR 4 1HE TYR 4 -7.217 5.903 7.522
33 HE2 TYR 4 2HE TYR 4 -10.012 7.165 4.558
34 HH TYR 4 HH TYR 4 -10.255 6.647 7.272
35 H CYS 5 H CYS 5 -4.977 2.114 1.602
36 HA CYS 5 HA CYS 5 -4.476 3.236 -0.869
37 1HB CYS 5 2HB CYS 5 -2.941 1.649 0.092
38 2HB CYS 5 1HB CYS 5 -4.153 0.375 0.052
39 H ILE 6 H ILE 6 -5.653 3.425 -2.645
40 HA ILE 6 HA ILE 6 -8.085 1.889 -2.965
41 HB ILE 6 HB ILE 6 -8.501 3.301 -4.922
42 1HG1 ILE 6 2HG1 ILE 6 -6.649 5.314 -4.883
43 2HG1 ILE 6 1HG1 ILE 6 -5.640 3.908 -4.563
44 1HG2 ILE 6 1HG2 ILE 6 -8.728 5.422 -3.756
45 2HG2 ILE 6 2HG2 ILE 6 -7.581 4.888 -2.528
46 3HG2 ILE 6 3HG2 ILE 6 -9.141 4.080 -2.688
47 1HD1 ILE 6 1HD1 ILE 6 -6.120 4.730 -7.007
48 2HD1 ILE 6 2HD1 ILE 6 -7.581 3.764 -6.803
49 3HD1 ILE 6 3HD1 ILE 6 -5.995 3.013 -6.626
50 H LEU 7 H LEU 7 -4.856 1.894 -4.242
51 HA LEU 7 HA LEU 7 -5.178 0.657 -6.691
52 1HB LEU 7 2HB LEU 7 -3.035 0.987 -4.753
53 2HB LEU 7 1HB LEU 7 -2.898 -0.522 -5.634
54 HG LEU 7 HG LEU 7 -3.409 1.891 -7.269
55 1HD1 LEU 7 1HD1 LEU 7 -0.911 1.481 -5.666
56 2HD1 LEU 7 2HD1 LEU 7 -1.849 2.955 -5.906
57 3HD1 LEU 7 3HD1 LEU 7 -0.875 2.305 -7.225
58 1HD2 LEU 7 1HD2 LEU 7 -1.393 -0.323 -7.581
59 2HD2 LEU 7 2HD2 LEU 7 -1.993 0.779 -8.820
60 3HD2 LEU 7 3HD2 LEU 7 -3.065 -0.442 -8.134
61 HA PRO 8 HA PRO 8 -6.937 -3.265 -5.455
62 1HB PRO 8 2HB PRO 8 -6.924 -4.440 -7.898
63 2HB PRO 8 1HB PRO 8 -8.106 -3.211 -7.434
64 1HG PRO 8 2HG PRO 8 -5.609 -2.921 -9.058
65 2HG PRO 8 1HG PRO 8 -7.211 -2.213 -9.332
66 1HD PRO 8 2HD PRO 8 -5.160 -0.822 -8.226
67 2HD PRO 8 1HD PRO 8 -6.860 -0.517 -7.814
68 H LYS 9 H LYS 9 -4.184 -3.271 -7.724
69 HA LYS 9 HA LYS 9 -3.269 -5.822 -6.683
70 1HB LYS 9 2HB LYS 9 -2.465 -4.047 -8.956
71 2HB LYS 9 1HB LYS 9 -1.338 -5.263 -8.372
72 1HG LYS 9 2HG LYS 9 -3.611 -6.728 -8.627
73 2HG LYS 9 1HG LYS 9 -3.793 -5.562 -9.940
74 1HD LYS 9 2HD LYS 9 -2.023 -6.389 -11.101
75 2HD LYS 9 1HD LYS 9 -1.136 -6.832 -9.641
76 1HE LYS 9 2HE LYS 9 -2.332 -8.828 -9.382
77 2HE LYS 9 1HE LYS 9 -3.614 -8.303 -10.473
78 1HZ LYS 9 1HZ LYS 9 -0.825 -8.872 -11.317
79 2HZ LYS 9 2HZ LYS 9 -2.136 -8.520 -12.327
80 3HZ LYS 9 3HZ LYS 9 -2.107 -9.968 -11.454
81 H CYS 10 H CYS 10 -3.202 -4.279 -4.583
82 HA CYS 10 HA CYS 10 -0.362 -3.579 -4.254
83 1HB CYS 10 2HB CYS 10 -2.504 -1.783 -4.148
84 2HB CYS 10 1HB CYS 10 -2.093 -2.088 -2.464
85 H ALA 11 H ALA 11 -1.807 -6.052 -3.662
86 HA ALA 11 HA ALA 11 -1.570 -6.084 -0.725
87 1HB ALA 11 1HB ALA 11 -3.094 -8.076 -2.390
88 2HB ALA 11 2HB ALA 11 -3.823 -6.622 -1.705
89 3HB ALA 11 3HB ALA 11 -3.147 -7.855 -0.640
90 H ALA 12 H ALA 12 0.808 -6.235 -1.475
91 HA ALA 12 HA ALA 12 1.759 -8.673 -2.567
92 1HB ALA 12 1HB ALA 12 3.258 -6.930 -2.804
93 2HB ALA 12 2HB ALA 12 3.960 -7.840 -1.467
94 3HB ALA 12 3HB ALA 12 3.034 -6.374 -1.146
95 H ALA 13 H ALA 13 1.299 -7.506 0.732
96 HA ALA 13 HA ALA 13 1.172 -10.194 1.730
97 1HB ALA 13 1HB ALA 13 3.692 -9.313 1.593
98 2HB ALA 13 2HB ALA 13 3.118 -10.380 2.874
99 3HB ALA 13 3HB ALA 13 3.243 -8.645 3.163
100 H ALA 14 H ALA 14 -0.462 -7.756 1.627
101 HA ALA 14 HA ALA 14 -1.899 -6.572 2.936
102 1HB ALA 14 1HB ALA 14 -2.125 -9.033 3.789
103 2HB ALA 14 2HB ALA 14 -2.885 -7.711 4.674
104 3HB ALA 14 3HB ALA 14 -1.358 -8.389 5.241
105 H ASN 15 H ASN 15 0.986 -5.922 2.992
106 HA ASN 15 HA ASN 15 1.151 -4.664 5.649
107 1HB ASN 15 2HB ASN 15 3.644 -4.397 4.894
108 2HB ASN 15 1HB ASN 15 3.082 -5.943 5.518
109 1HD2 ASN 15 1HD2 ASN 15 4.948 -6.777 4.376
110 2HD2 ASN 15 2HD2 ASN 15 4.816 -7.135 2.691
111 H VAL 16 H VAL 16 1.821 -2.530 5.819
112 HA VAL 16 HA VAL 16 1.161 -0.914 3.468
113 HB VAL 16 HB VAL 16 0.093 -0.722 5.861
114 1HG1 VAL 16 1HG1 VAL 16 1.109 0.993 7.254
115 2HG1 VAL 16 2HG1 VAL 16 2.481 1.095 6.152
116 3HG1 VAL 16 3HG1 VAL 16 2.192 -0.386 7.065
117 1HG2 VAL 16 1HG2 VAL 16 0.884 1.788 4.395
118 2HG2 VAL 16 2HG2 VAL 16 -0.566 1.513 5.360
119 3HG2 VAL 16 3HG2 VAL 16 -0.356 0.669 3.827
120 H ALA 17 H ALA 17 3.604 -1.237 6.006
121 HA ALA 17 HA ALA 17 5.300 0.838 5.382
122 1HB ALA 17 1HB ALA 17 6.109 -1.937 6.245
123 2HB ALA 17 2HB ALA 17 5.604 -0.629 7.315
124 3HB ALA 17 3HB ALA 17 7.093 -0.479 6.381
125 H ALA 18 H ALA 18 4.760 -2.112 3.628
126 HA ALA 18 HA ALA 18 7.056 -1.633 1.889
127 1HB ALA 18 1HB ALA 18 6.365 -3.936 2.804
128 2HB ALA 18 2HB ALA 18 6.805 -3.810 1.100
129 3HB ALA 18 3HB ALA 18 5.106 -3.886 1.569
130 H HIS 19 H HIS 19 3.618 -1.234 1.973
131 HA HIS 19 HA HIS 19 3.293 -1.039 -0.873
132 1HB HIS 19 2HB HIS 19 1.150 -1.359 -0.305
133 2HB HIS 19 1HB HIS 19 1.577 -1.228 1.395
134 HD2 HIS 19 2HD HIS 19 1.292 1.382 2.491
135 HE1 HIS 19 1HE HIS 19 -1.162 2.718 -0.683
136 HE2 HIS 19 2HE HIS 19 -0.457 3.134 1.720
137 H THR 20 H THR 20 3.380 1.294 1.815
138 HA THR 20 HA THR 20 2.886 3.638 0.506
139 HB THR 20 HB THR 20 3.233 3.614 2.884
140 HG1 THR 20 1HG THR 20 3.995 5.558 2.844
141 1HG2 THR 20 1HG2 THR 20 6.168 3.461 2.767
142 2HG2 THR 20 2HG2 THR 20 5.296 1.944 2.542
143 3HG2 THR 20 3HG2 THR 20 5.043 2.898 4.003
144 H THR 21 H THR 21 5.714 1.643 0.191
145 HA THR 21 HA THR 21 7.626 3.389 -0.736
146 HB THR 21 HB THR 21 7.866 0.910 -0.372
147 HG1 THR 21 1HG THR 21 9.452 2.221 -1.470
148 1HG2 THR 21 1HG2 THR 21 7.074 0.561 -3.231
149 2HG2 THR 21 2HG2 THR 21 5.908 0.347 -1.925
150 3HG2 THR 21 3HG2 THR 21 7.353 -0.662 -1.992
151 H HIS 22 H HIS 22 4.920 1.988 -2.513
152 HA HIS 22 HA HIS 22 5.648 3.569 -4.877
153 1HB HIS 22 2HB HIS 22 3.678 2.172 -5.878
154 2HB HIS 22 1HB HIS 22 5.248 1.413 -5.634
155 HD1 HIS 22 1HD HIS 22 5.115 -0.791 -4.570
156 HD2 HIS 22 2HD HIS 22 1.928 1.634 -3.425
157 HE1 HIS 22 1HE HIS 22 3.697 -2.209 -3.059
158 HE2 HIS 22 2HE HIS 22 1.887 -0.663 -2.242
159 H CYS 23 H CYS 23 3.086 3.045 -2.556
160 HA CYS 23 HA CYS 23 1.339 4.971 -3.806
161 1HB CYS 23 2HB CYS 23 1.203 3.034 -1.558
162 2HB CYS 23 1HB CYS 23 0.112 4.405 -1.517
163 H PHE 24 H PHE 24 0.198 6.390 -1.906
164 HA PHE 24 HA PHE 24 2.022 7.530 -0.019
165 1HB PHE 24 2HB PHE 24 1.948 9.833 -1.068
166 2HB PHE 24 1HB PHE 24 2.965 8.656 -1.894
167 HD1 PHE 24 1HD PHE 24 -0.276 10.413 -2.013
168 HD2 PHE 24 2HD PHE 24 2.532 8.011 -4.123
169 HE1 PHE 24 1HE PHE 24 -1.487 10.846 -4.110
170 HE2 PHE 24 2HE PHE 24 1.326 8.440 -6.224
171 HZ PHE 24 HZ PHE 24 -0.686 9.860 -6.220
172 H LYS 25 H LYS 25 -0.655 6.399 -0.093
173 HA LYS 25 HA LYS 25 -2.698 6.738 0.848
174 1HB LYS 25 2HB LYS 25 -1.046 7.920 2.526
175 2HB LYS 25 1HB LYS 25 -1.828 9.381 1.941
176 1HG LYS 25 2HG LYS 25 -4.010 8.445 2.593
177 2HG LYS 25 1HG LYS 25 -3.181 7.030 3.246
178 1HD LYS 25 2HD LYS 25 -2.246 9.681 4.179
179 2HD LYS 25 1HD LYS 25 -3.833 9.150 4.741
180 1HE LYS 25 2HE LYS 25 -2.306 8.391 6.364
181 2HE LYS 25 1HE LYS 25 -2.711 6.973 5.398
182 1HZ LYS 25 1HZ LYS 25 -0.656 7.069 4.294
183 2HZ LYS 25 2HZ LYS 25 -0.286 7.316 5.925
184 3HZ LYS 25 3HZ LYS 25 -0.315 8.627 4.858
Start of MODEL 3
1 1H ALA 1 1HT ALA 1 -1.017 5.041 4.116
2 2H ALA 1 2HT ALA 1 -1.734 5.459 5.618
3 3H ALA 1 3HT ALA 1 -2.722 5.018 4.286
4 HA ALA 1 HA ALA 1 -0.716 3.194 5.378
5 1HB ALA 1 1HB ALA 1 -2.546 4.175 7.035
6 2HB ALA 1 2HB ALA 1 -2.050 2.483 7.075
7 3HB ALA 1 3HB ALA 1 -3.538 2.947 6.249
8 H VAL 2 H VAL 2 -2.347 0.990 5.377
9 HA VAL 2 HA VAL 2 -2.634 0.523 2.532
10 HB VAL 2 HB VAL 2 -1.529 -1.171 3.920
11 1HG1 VAL 2 1HG1 VAL 2 -4.010 -2.164 5.134
12 2HG1 VAL 2 2HG1 VAL 2 -3.427 -0.634 5.790
13 3HG1 VAL 2 3HG1 VAL 2 -2.381 -2.054 5.801
14 1HG2 VAL 2 1HG2 VAL 2 -4.149 -2.172 2.809
15 2HG2 VAL 2 2HG2 VAL 2 -2.679 -3.115 3.052
16 3HG2 VAL 2 3HG2 VAL 2 -2.709 -1.822 1.853
17 H TYR 3 H TYR 3 -4.665 0.984 5.325
18 HA TYR 3 HA TYR 3 -7.057 -0.114 4.369
19 1HB TYR 3 2HB TYR 3 -6.354 1.957 6.404
20 2HB TYR 3 1HB TYR 3 -8.038 1.810 5.907
21 HD1 TYR 3 1HD TYR 3 -9.217 -0.382 6.229
22 HD2 TYR 3 2HD TYR 3 -5.374 0.390 7.881
23 HE1 TYR 3 1HE TYR 3 -9.517 -2.259 7.788
24 HE2 TYR 3 2HE TYR 3 -5.661 -1.486 9.444
25 HH TYR 3 HH TYR 3 -7.435 -2.791 10.449
26 H TYR 4 H TYR 4 -5.491 2.946 3.739
27 HA TYR 4 HA TYR 4 -7.783 3.842 2.146
28 1HB TYR 4 2HB TYR 4 -5.395 5.241 3.312
29 2HB TYR 4 1HB TYR 4 -6.296 5.972 1.988
30 HD1 TYR 4 1HD TYR 4 -9.039 5.558 2.528
31 HD2 TYR 4 2HD TYR 4 -5.902 6.248 5.318
32 HE1 TYR 4 1HE TYR 4 -10.672 6.456 4.133
33 HE2 TYR 4 2HE TYR 4 -7.526 7.147 6.930
34 HH TYR 4 HH TYR 4 -10.754 7.897 6.066
35 H CYS 5 H CYS 5 -5.906 1.685 1.356
36 HA CYS 5 HA CYS 5 -4.390 2.831 -0.838
37 1HB CYS 5 2HB CYS 5 -3.305 1.040 0.310
38 2HB CYS 5 1HB CYS 5 -4.730 0.015 0.198
39 H ILE 6 H ILE 6 -5.533 3.442 -2.562
40 HA ILE 6 HA ILE 6 -7.829 1.834 -3.416
41 HB ILE 6 HB ILE 6 -8.333 3.723 -4.934
42 1HG1 ILE 6 2HG1 ILE 6 -6.406 5.478 -3.508
43 2HG1 ILE 6 1HG1 ILE 6 -5.738 4.403 -4.733
44 1HG2 ILE 6 1HG2 ILE 6 -8.593 5.429 -2.907
45 2HG2 ILE 6 2HG2 ILE 6 -8.188 3.978 -1.989
46 3HG2 ILE 6 3HG2 ILE 6 -9.588 3.980 -3.062
47 1HD1 ILE 6 1HD1 ILE 6 -6.267 5.951 -6.222
48 2HD1 ILE 6 2HD1 ILE 6 -7.213 6.857 -5.041
49 3HD1 ILE 6 3HD1 ILE 6 -7.958 5.539 -5.944
50 H LEU 7 H LEU 7 -5.071 0.943 -3.809
51 HA LEU 7 HA LEU 7 -4.926 0.992 -6.750
52 1HB LEU 7 2HB LEU 7 -2.977 1.861 -5.308
53 2HB LEU 7 1HB LEU 7 -2.679 0.175 -4.934
54 HG LEU 7 HG LEU 7 -2.878 0.951 -7.802
55 1HD1 LEU 7 1HD1 LEU 7 -0.752 1.854 -7.950
56 2HD1 LEU 7 2HD1 LEU 7 -0.273 1.250 -6.364
57 3HD1 LEU 7 3HD1 LEU 7 -1.391 2.609 -6.490
58 1HD2 LEU 7 1HD2 LEU 7 -1.026 -0.938 -6.362
59 2HD2 LEU 7 2HD2 LEU 7 -1.334 -0.845 -8.096
60 3HD2 LEU 7 3HD2 LEU 7 -2.602 -1.401 -7.004
61 HA PRO 8 HA PRO 8 -6.267 -3.296 -6.017
62 1HB PRO 8 2HB PRO 8 -7.010 -3.769 -8.586
63 2HB PRO 8 1HB PRO 8 -8.039 -2.919 -7.428
64 1HG PRO 8 2HG PRO 8 -6.266 -1.800 -9.566
65 2HG PRO 8 1HG PRO 8 -7.912 -1.322 -9.114
66 1HD PRO 8 2HD PRO 8 -5.729 0.059 -8.312
67 2HD PRO 8 1HD PRO 8 -7.192 -0.073 -7.314
68 H LYS 9 H LYS 9 -3.669 -3.157 -5.880
69 HA LYS 9 HA LYS 9 -2.703 -5.411 -7.222
70 1HB LYS 9 2HB LYS 9 -2.753 -3.380 -8.992
71 2HB LYS 9 1HB LYS 9 -1.171 -3.105 -8.279
72 1HG LYS 9 2HG LYS 9 -0.277 -4.956 -9.208
73 2HG LYS 9 1HG LYS 9 -1.774 -5.881 -9.071
74 1HD LYS 9 2HD LYS 9 -2.489 -4.002 -10.894
75 2HD LYS 9 1HD LYS 9 -0.778 -4.206 -11.273
76 1HE LYS 9 2HE LYS 9 -1.353 -6.749 -11.155
77 2HE LYS 9 1HE LYS 9 -3.006 -6.192 -11.412
78 1HZ LYS 9 1HZ LYS 9 -1.515 -6.777 -13.429
79 2HZ LYS 9 2HZ LYS 9 -0.864 -5.235 -13.184
80 3HZ LYS 9 3HZ LYS 9 -2.515 -5.414 -13.501
81 H CYS 10 H CYS 10 -2.736 -4.291 -4.602
82 HA CYS 10 HA CYS 10 0.147 -3.953 -4.097
83 1HB CYS 10 2HB CYS 10 -2.262 -2.770 -2.762
84 2HB CYS 10 1HB CYS 10 -0.768 -2.972 -1.852
85 H ALA 11 H ALA 11 -2.685 -5.815 -3.427
86 HA ALA 11 HA ALA 11 -2.100 -7.015 -1.010
87 1HB ALA 11 1HB ALA 11 -3.252 -8.581 -3.294
88 2HB ALA 11 2HB ALA 11 -4.158 -7.281 -2.519
89 3HB ALA 11 3HB ALA 11 -3.637 -8.677 -1.575
90 H ALA 12 H ALA 12 0.070 -7.439 -0.708
91 HA ALA 12 HA ALA 12 1.152 -9.674 -2.297
92 1HB ALA 12 1HB ALA 12 2.441 -7.821 -2.956
93 2HB ALA 12 2HB ALA 12 3.427 -8.667 -1.763
94 3HB ALA 12 3HB ALA 12 2.551 -7.206 -1.306
95 H ALA 13 H ALA 13 1.285 -7.979 0.820
96 HA ALA 13 HA ALA 13 1.386 -10.523 2.204
97 1HB ALA 13 1HB ALA 13 3.789 -9.465 1.608
98 2HB ALA 13 2HB ALA 13 3.476 -10.436 3.046
99 3HB ALA 13 3HB ALA 13 3.476 -8.676 3.153
100 H ALA 14 H ALA 14 -0.348 -8.080 1.948
101 HA ALA 14 HA ALA 14 -1.636 -6.730 3.253
102 1HB ALA 14 1HB ALA 14 -1.918 -9.114 4.255
103 2HB ALA 14 2HB ALA 14 -2.538 -7.717 5.135
104 3HB ALA 14 3HB ALA 14 -1.007 -8.452 5.613
105 H ASN 15 H ASN 15 1.244 -6.145 3.093
106 HA ASN 15 HA ASN 15 1.685 -4.848 5.692
107 1HB ASN 15 2HB ASN 15 4.043 -4.509 4.683
108 2HB ASN 15 1HB ASN 15 3.592 -6.121 5.224
109 1HD2 ASN 15 1HD2 ASN 15 5.344 -6.771 3.801
110 2HD2 ASN 15 2HD2 ASN 15 5.021 -6.990 2.118
111 H VAL 16 H VAL 16 2.169 -2.700 5.847
112 HA VAL 16 HA VAL 16 1.248 -1.079 3.591
113 HB VAL 16 HB VAL 16 0.336 -1.001 6.046
114 1HG1 VAL 16 1HG1 VAL 16 1.355 0.730 7.425
115 2HG1 VAL 16 2HG1 VAL 16 2.655 0.915 6.248
116 3HG1 VAL 16 3HG1 VAL 16 2.479 -0.598 7.137
117 1HG2 VAL 16 1HG2 VAL 16 0.912 1.560 4.562
118 2HG2 VAL 16 2HG2 VAL 16 -0.414 1.257 5.685
119 3HG2 VAL 16 3HG2 VAL 16 -0.361 0.417 4.135
120 H ALA 17 H ALA 17 3.877 -1.286 5.952
121 HA ALA 17 HA ALA 17 5.396 0.895 5.239
122 1HB ALA 17 1HB ALA 17 6.718 -1.721 5.849
123 2HB ALA 17 2HB ALA 17 5.774 -0.879 7.078
124 3HB ALA 17 3HB ALA 17 7.177 -0.094 6.352
125 H ALA 18 H ALA 18 4.920 -2.076 3.506
126 HA ALA 18 HA ALA 18 7.059 -1.446 1.617
127 1HB ALA 18 1HB ALA 18 6.705 -3.777 2.529
128 2HB ALA 18 2HB ALA 18 6.818 -3.641 0.774
129 3HB ALA 18 3HB ALA 18 5.244 -3.843 1.543
130 H HIS 19 H HIS 19 3.620 -1.269 1.947
131 HA HIS 19 HA HIS 19 3.100 -1.098 -0.877
132 1HB HIS 19 2HB HIS 19 1.045 -1.638 -0.171
133 2HB HIS 19 1HB HIS 19 1.547 -1.433 1.500
134 HD2 HIS 19 2HD HIS 19 1.018 1.114 2.604
135 HE1 HIS 19 1HE HIS 19 -1.640 2.218 -0.495
136 HE2 HIS 19 2HE HIS 19 -0.912 2.691 1.890
137 H THR 20 H THR 20 3.076 1.209 1.841
138 HA THR 20 HA THR 20 2.331 3.509 0.581
139 HB THR 20 HB THR 20 2.830 3.358 2.982
140 HG1 THR 20 1HG THR 20 4.411 5.360 1.752
141 1HG2 THR 20 1HG2 THR 20 5.506 4.006 3.193
142 2HG2 THR 20 2HG2 THR 20 5.474 2.659 2.056
143 3HG2 THR 20 3HG2 THR 20 4.749 2.482 3.653
144 H THR 21 H THR 21 5.325 1.793 0.154
145 HA THR 21 HA THR 21 7.033 3.714 -0.813
146 HB THR 21 HB THR 21 7.512 1.264 -0.495
147 HG1 THR 21 1HG THR 21 9.093 2.421 -1.480
148 1HG2 THR 21 1HG2 THR 21 6.654 0.871 -3.329
149 2HG2 THR 21 2HG2 THR 21 5.555 0.547 -1.987
150 3HG2 THR 21 3HG2 THR 21 7.078 -0.333 -2.111
151 H HIS 22 H HIS 22 4.406 2.095 -2.523
152 HA HIS 22 HA HIS 22 4.908 3.767 -4.884
153 1HB HIS 22 2HB HIS 22 3.041 2.201 -5.841
154 2HB HIS 22 1HB HIS 22 4.686 1.599 -5.669
155 HD1 HIS 22 1HD HIS 22 4.825 -0.615 -4.619
156 HD2 HIS 22 2HD HIS 22 1.436 1.450 -3.356
157 HE1 HIS 22 1HE HIS 22 3.608 -2.190 -3.088
158 HE2 HIS 22 2HE HIS 22 1.665 -0.854 -2.208
159 H CYS 23 H CYS 23 2.476 2.971 -2.497
160 HA CYS 23 HA CYS 23 0.516 4.733 -3.665
161 1HB CYS 23 2HB CYS 23 0.644 2.785 -1.428
162 2HB CYS 23 1HB CYS 23 -0.566 4.048 -1.332
163 H PHE 24 H PHE 24 0.278 6.819 -3.184
164 HA PHE 24 HA PHE 24 1.855 7.941 -0.989
165 1HB PHE 24 2HB PHE 24 1.273 10.138 -2.076
166 2HB PHE 24 1HB PHE 24 2.225 9.047 -3.076
167 HD1 PHE 24 1HD PHE 24 -1.045 10.612 -2.601
168 HD2 PHE 24 2HD PHE 24 1.287 8.026 -5.048
169 HE1 PHE 24 1HE PHE 24 -2.731 10.786 -4.384
170 HE2 PHE 24 2HE PHE 24 -0.395 8.197 -6.836
171 HZ PHE 24 HZ PHE 24 -2.406 9.578 -6.506
172 H LYS 25 H LYS 25 -0.421 6.478 -0.248
173 HA LYS 25 HA LYS 25 -2.235 6.598 1.117
174 1HB LYS 25 2HB LYS 25 -0.539 8.467 2.054
175 2HB LYS 25 1HB LYS 25 -1.902 9.497 1.642
176 1HG LYS 25 2HG LYS 25 -3.345 8.320 3.117
177 2HG LYS 25 1HG LYS 25 -2.146 7.050 3.371
178 1HD LYS 25 2HD LYS 25 -0.695 9.143 4.159
179 2HD LYS 25 1HD LYS 25 -2.301 9.783 4.515
180 1HE LYS 25 2HE LYS 25 -2.017 8.716 6.476
181 2HE LYS 25 1HE LYS 25 -2.518 7.299 5.553
182 1HZ LYS 25 1HZ LYS 25 -0.119 6.896 5.104
183 2HZ LYS 25 2HZ LYS 25 -0.549 6.747 6.732
184 3HZ LYS 25 3HZ LYS 25 0.255 8.135 6.195
Start of MODEL 4
1 1H ALA 1 1HT ALA 1 -2.861 4.193 4.827
2 2H ALA 1 2HT ALA 1 -2.286 4.710 6.359
3 3H ALA 1 3HT ALA 1 -3.721 3.776 6.249
4 HA ALA 1 HA ALA 1 -1.069 2.845 5.394
5 1HB ALA 1 1HB ALA 1 -0.846 3.171 7.711
6 2HB ALA 1 2HB ALA 1 -1.233 1.461 7.519
7 3HB ALA 1 3HB ALA 1 -2.481 2.596 8.034
8 H VAL 2 H VAL 2 -1.774 1.693 3.654
9 HA VAL 2 HA VAL 2 -2.928 0.162 2.409
10 HB VAL 2 HB VAL 2 -1.415 -1.246 3.776
11 1HG1 VAL 2 1HG1 VAL 2 -3.822 -1.459 5.573
12 2HG1 VAL 2 2HG1 VAL 2 -2.213 -0.868 5.987
13 3HG1 VAL 2 3HG1 VAL 2 -2.460 -2.576 5.626
14 1HG2 VAL 2 1HG2 VAL 2 -3.292 -2.044 2.073
15 2HG2 VAL 2 2HG2 VAL 2 -3.883 -2.871 3.514
16 3HG2 VAL 2 3HG2 VAL 2 -2.249 -3.184 2.925
17 H TYR 3 H TYR 3 -4.622 2.030 3.862
18 HA TYR 3 HA TYR 3 -7.047 0.370 4.088
19 1HB TYR 3 2HB TYR 3 -5.985 2.484 5.863
20 2HB TYR 3 1HB TYR 3 -7.709 2.581 5.520
21 HD1 TYR 3 1HD TYR 3 -5.441 -0.340 6.059
22 HD2 TYR 3 2HD TYR 3 -8.860 1.822 7.375
23 HE1 TYR 3 1HE TYR 3 -5.870 -2.065 7.758
24 HE2 TYR 3 2HE TYR 3 -9.299 0.102 9.078
25 HH TYR 3 HH TYR 3 -7.033 -2.273 9.918
26 H TYR 4 H TYR 4 -5.765 3.576 3.289
27 HA TYR 4 HA TYR 4 -8.183 4.304 1.872
28 1HB TYR 4 2HB TYR 4 -5.599 5.689 2.504
29 2HB TYR 4 1HB TYR 4 -6.659 6.337 1.257
30 HD1 TYR 4 1HD TYR 4 -5.993 6.160 4.762
31 HD2 TYR 4 2HD TYR 4 -9.078 6.863 1.916
32 HE1 TYR 4 1HE TYR 4 -7.326 7.289 6.492
33 HE2 TYR 4 2HE TYR 4 -10.418 7.993 3.640
34 HH TYR 4 HH TYR 4 -9.148 8.966 6.613
35 H CYS 5 H CYS 5 -5.207 2.766 1.171
36 HA CYS 5 HA CYS 5 -4.647 3.475 -1.429
37 1HB CYS 5 2HB CYS 5 -3.213 1.980 -0.172
38 2HB CYS 5 1HB CYS 5 -4.468 0.750 -0.132
39 H ILE 6 H ILE 6 -5.925 3.555 -3.147
40 HA ILE 6 HA ILE 6 -8.215 1.742 -3.332
41 HB ILE 6 HB ILE 6 -8.998 3.201 -5.149
42 1HG1 ILE 6 2HG1 ILE 6 -7.414 5.496 -4.866
43 2HG1 ILE 6 1HG1 ILE 6 -6.267 4.167 -5.004
44 1HG2 ILE 6 1HG2 ILE 6 -9.580 5.101 -3.787
45 2HG2 ILE 6 2HG2 ILE 6 -8.234 4.775 -2.695
46 3HG2 ILE 6 3HG2 ILE 6 -9.587 3.647 -2.788
47 1HD1 ILE 6 1HD1 ILE 6 -6.993 3.602 -7.130
48 2HD1 ILE 6 2HD1 ILE 6 -7.047 5.364 -7.135
49 3HD1 ILE 6 3HD1 ILE 6 -8.534 4.437 -6.933
50 H LEU 7 H LEU 7 -5.579 0.704 -3.788
51 HA LEU 7 HA LEU 7 -5.906 -0.151 -6.579
52 1HB LEU 7 2HB LEU 7 -3.985 1.558 -6.053
53 2HB LEU 7 1HB LEU 7 -3.166 0.143 -5.419
54 HG LEU 7 HG LEU 7 -4.258 0.271 -8.224
55 1HD1 LEU 7 1HD1 LEU 7 -2.456 2.016 -7.582
56 2HD1 LEU 7 2HD1 LEU 7 -2.233 1.040 -9.034
57 3HD1 LEU 7 3HD1 LEU 7 -1.367 0.630 -7.554
58 1HD2 LEU 7 1HD2 LEU 7 -2.268 -1.536 -6.860
59 2HD2 LEU 7 2HD2 LEU 7 -2.654 -1.568 -8.580
60 3HD2 LEU 7 3HD2 LEU 7 -3.894 -1.966 -7.390
61 HA PRO 8 HA PRO 8 -5.775 -3.872 -3.895
62 1HB PRO 8 2HB PRO 8 -7.297 -5.401 -5.547
63 2HB PRO 8 1HB PRO 8 -7.985 -4.280 -4.366
64 1HG PRO 8 2HG PRO 8 -7.562 -3.909 -7.307
65 2HG PRO 8 1HG PRO 8 -8.965 -3.472 -6.314
66 1HD PRO 8 2HD PRO 8 -7.109 -1.660 -7.077
67 2HD PRO 8 1HD PRO 8 -7.967 -1.546 -5.528
68 H LYS 9 H LYS 9 -3.470 -3.425 -5.007
69 HA LYS 9 HA LYS 9 -2.559 -5.916 -5.925
70 1HB LYS 9 2HB LYS 9 -3.350 -3.972 -7.999
71 2HB LYS 9 1HB LYS 9 -1.758 -4.684 -8.216
72 1HG LYS 9 2HG LYS 9 -3.207 -6.894 -7.673
73 2HG LYS 9 1HG LYS 9 -4.424 -5.892 -8.467
74 1HD LYS 9 2HD LYS 9 -2.604 -5.501 -10.257
75 2HD LYS 9 1HD LYS 9 -1.819 -6.912 -9.545
76 1HE LYS 9 2HE LYS 9 -4.358 -7.818 -9.820
77 2HE LYS 9 1HE LYS 9 -4.247 -6.721 -11.196
78 1HZ LYS 9 1HZ LYS 9 -2.706 -8.008 -12.216
79 2HZ LYS 9 2HZ LYS 9 -3.473 -9.228 -11.331
80 3HZ LYS 9 3HZ LYS 9 -2.022 -8.564 -10.771
81 H CYS 10 H CYS 10 -1.874 -3.975 -3.970
82 HA CYS 10 HA CYS 10 0.674 -2.878 -4.908
83 1HB CYS 10 2HB CYS 10 -1.123 -2.310 -2.586
84 2HB CYS 10 1HB CYS 10 0.589 -1.928 -2.447
85 H ALA 11 H ALA 11 -0.540 -4.630 -2.044
86 HA ALA 11 HA ALA 11 2.099 -5.928 -1.845
87 1HB ALA 11 1HB ALA 11 1.418 -6.265 0.595
88 2HB ALA 11 2HB ALA 11 0.164 -5.067 0.280
89 3HB ALA 11 3HB ALA 11 1.863 -4.635 0.091
90 H ALA 12 H ALA 12 2.114 -8.128 -1.019
91 HA ALA 12 HA ALA 12 -0.138 -9.652 -2.083
92 1HB ALA 12 1HB ALA 12 1.301 -11.468 -2.290
93 2HB ALA 12 2HB ALA 12 2.404 -10.860 -1.056
94 3HB ALA 12 3HB ALA 12 2.341 -10.087 -2.639
95 H ALA 13 H ALA 13 1.553 -9.026 0.922
96 HA ALA 13 HA ALA 13 -0.309 -10.816 2.333
97 1HB ALA 13 1HB ALA 13 2.497 -10.021 2.806
98 2HB ALA 13 2HB ALA 13 1.685 -11.558 3.103
99 3HB ALA 13 3HB ALA 13 1.481 -10.220 4.234
100 H ALA 14 H ALA 14 -0.921 -8.096 1.373
101 HA ALA 14 HA ALA 14 -2.000 -6.223 2.082
102 1HB ALA 14 1HB ALA 14 -3.133 -8.172 3.436
103 2HB ALA 14 2HB ALA 14 -3.511 -6.484 3.783
104 3HB ALA 14 3HB ALA 14 -2.376 -7.362 4.807
105 H ASN 15 H ASN 15 0.901 -6.484 2.511
106 HA ASN 15 HA ASN 15 1.473 -5.141 4.995
107 1HB ASN 15 2HB ASN 15 3.804 -5.013 4.023
108 2HB ASN 15 1HB ASN 15 3.156 -6.639 4.205
109 1HD2 ASN 15 1HD2 ASN 15 2.951 -7.906 2.456
110 2HD2 ASN 15 2HD2 ASN 15 3.347 -7.423 0.845
111 H VAL 16 H VAL 16 2.086 -3.058 5.301
112 HA VAL 16 HA VAL 16 1.275 -1.197 3.193
113 HB VAL 16 HB VAL 16 0.436 -1.257 5.696
114 1HG1 VAL 16 1HG1 VAL 16 2.657 -0.995 6.696
115 2HG1 VAL 16 2HG1 VAL 16 1.579 0.331 7.131
116 3HG1 VAL 16 3HG1 VAL 16 2.822 0.574 5.904
117 1HG2 VAL 16 1HG2 VAL 16 -0.319 0.970 5.445
118 2HG2 VAL 16 2HG2 VAL 16 -0.185 0.309 3.816
119 3HG2 VAL 16 3HG2 VAL 16 1.058 1.399 4.431
120 H ALA 17 H ALA 17 3.920 -1.838 5.450
121 HA ALA 17 HA ALA 17 5.599 0.277 4.935
122 1HB ALA 17 1HB ALA 17 7.435 -1.620 5.249
123 2HB ALA 17 2HB ALA 17 6.020 -2.537 5.769
124 3HB ALA 17 3HB ALA 17 6.447 -1.034 6.587
125 H ALA 18 H ALA 18 4.839 -2.416 2.876
126 HA ALA 18 HA ALA 18 6.985 -1.727 1.013
127 1HB ALA 18 1HB ALA 18 6.888 -3.841 0.259
128 2HB ALA 18 2HB ALA 18 5.125 -3.876 0.275
129 3HB ALA 18 3HB ALA 18 6.026 -4.146 1.767
130 H HIS 19 H HIS 19 3.589 -1.300 1.468
131 HA HIS 19 HA HIS 19 3.033 -0.776 -1.311
132 1HB HIS 19 2HB HIS 19 0.974 -1.300 -0.598
133 2HB HIS 19 1HB HIS 19 1.493 -1.229 1.078
134 HD2 HIS 19 2HD HIS 19 1.036 1.211 2.382
135 HE1 HIS 19 1HE HIS 19 -1.443 2.751 -0.677
136 HE2 HIS 19 2HE HIS 19 -0.769 2.964 1.760
137 H THR 20 H THR 20 3.111 1.207 1.659
138 HA THR 20 HA THR 20 2.562 3.676 0.646
139 HB THR 20 HB THR 20 2.969 3.228 3.026
140 HG1 THR 20 1HG THR 20 4.605 5.266 1.928
141 1HG2 THR 20 1HG2 THR 20 5.729 3.680 3.259
142 2HG2 THR 20 2HG2 THR 20 5.523 2.344 2.126
143 3HG2 THR 20 3HG2 THR 20 4.814 2.253 3.738
144 H THR 21 H THR 21 5.454 1.823 0.105
145 HA THR 21 HA THR 21 7.309 3.724 -0.593
146 HB THR 21 HB THR 21 7.621 1.226 -0.542
147 HG1 THR 21 1HG THR 21 8.576 2.636 -2.806
148 1HG2 THR 21 1HG2 THR 21 6.844 1.215 -3.426
149 2HG2 THR 21 2HG2 THR 21 5.681 0.809 -2.163
150 3HG2 THR 21 3HG2 THR 21 7.153 -0.145 -2.346
151 H HIS 22 H HIS 22 4.645 2.482 -2.544
152 HA HIS 22 HA HIS 22 5.330 4.377 -4.682
153 1HB HIS 22 2HB HIS 22 3.437 3.042 -5.886
154 2HB HIS 22 1HB HIS 22 5.030 2.315 -5.706
155 HD1 HIS 22 1HD HIS 22 4.942 -0.018 -4.958
156 HD2 HIS 22 2HD HIS 22 1.690 2.153 -3.521
157 HE1 HIS 22 1HE HIS 22 3.559 -1.659 -3.654
158 HE2 HIS 22 2HE HIS 22 1.706 -0.282 -2.654
159 H CYS 23 H CYS 23 2.779 3.462 -2.468
160 HA CYS 23 HA CYS 23 0.949 5.437 -3.498
161 1HB CYS 23 2HB CYS 23 0.908 3.260 -1.479
162 2HB CYS 23 1HB CYS 23 -0.241 4.568 -1.280
163 H PHE 24 H PHE 24 0.528 7.400 -2.638
164 HA PHE 24 HA PHE 24 2.113 8.200 -0.288
165 1HB PHE 24 2HB PHE 24 1.736 10.553 -1.215
166 2HB PHE 24 1HB PHE 24 2.827 9.510 -2.119
167 HD1 PHE 24 1HD PHE 24 -0.732 10.588 -2.007
168 HD2 PHE 24 2HD PHE 24 2.522 9.233 -4.391
169 HE1 PHE 24 1HE PHE 24 -2.072 10.956 -4.037
170 HE2 PHE 24 2HE PHE 24 1.190 9.599 -6.426
171 HZ PHE 24 HZ PHE 24 -1.111 10.462 -6.250
172 H LYS 25 H LYS 25 -0.481 6.894 -0.185
173 HA LYS 25 HA LYS 25 -2.451 7.048 0.942
174 1HB LYS 25 2HB LYS 25 -0.940 9.373 2.104
175 2HB LYS 25 1HB LYS 25 -2.590 9.024 2.600
176 1HG LYS 25 2HG LYS 25 -1.620 6.615 2.991
177 2HG LYS 25 1HG LYS 25 -0.093 7.492 3.101
178 1HD LYS 25 2HD LYS 25 -0.903 8.829 4.903
179 2HD LYS 25 1HD LYS 25 -2.547 8.222 4.689
180 1HE LYS 25 2HE LYS 25 -1.935 6.873 6.403
181 2HE LYS 25 1HE LYS 25 -1.287 5.900 5.083
182 1HZ LYS 25 1HZ LYS 25 0.813 7.367 5.501
183 2HZ LYS 25 2HZ LYS 25 0.508 6.013 6.467
184 3HZ LYS 25 3HZ LYS 25 0.134 7.561 7.038
Start of MODEL 5
1 1H ALA 1 1HT ALA 1 -0.295 4.739 5.856
2 2H ALA 1 2HT ALA 1 -1.745 4.960 4.965
3 3H ALA 1 3HT ALA 1 -0.361 4.285 4.206
4 HA ALA 1 HA ALA 1 -0.490 2.464 5.856
5 1HB ALA 1 1HB ALA 1 -2.239 2.264 7.279
6 2HB ALA 1 2HB ALA 1 -3.367 3.064 6.184
7 3HB ALA 1 3HB ALA 1 -2.239 4.022 7.143
8 H VAL 2 H VAL 2 -2.625 0.823 5.492
9 HA VAL 2 HA VAL 2 -2.791 0.675 2.561
10 HB VAL 2 HB VAL 2 -1.687 -1.236 3.646
11 1HG1 VAL 2 1HG1 VAL 2 -4.352 -1.747 4.960
12 2HG1 VAL 2 2HG1 VAL 2 -2.913 -1.142 5.780
13 3HG1 VAL 2 3HG1 VAL 2 -2.911 -2.757 5.074
14 1HG2 VAL 2 1HG2 VAL 2 -4.260 -2.382 2.711
15 2HG2 VAL 2 2HG2 VAL 2 -2.606 -2.782 2.248
16 3HG2 VAL 2 3HG2 VAL 2 -3.377 -1.333 1.602
17 H TYR 3 H TYR 3 -4.662 0.953 5.456
18 HA TYR 3 HA TYR 3 -7.134 -0.022 4.633
19 1HB TYR 3 2HB TYR 3 -6.240 2.020 6.615
20 2HB TYR 3 1HB TYR 3 -7.952 1.955 6.210
21 HD1 TYR 3 1HD TYR 3 -5.324 0.515 8.156
22 HD2 TYR 3 2HD TYR 3 -9.152 -0.287 6.482
23 HE1 TYR 3 1HE TYR 3 -5.620 -1.346 9.738
24 HE2 TYR 3 2HE TYR 3 -9.459 -2.150 8.058
25 HH TYR 3 HH TYR 3 -7.515 -3.730 9.439
26 H TYR 4 H TYR 4 -5.482 2.929 3.807
27 HA TYR 4 HA TYR 4 -7.847 3.862 2.330
28 1HB TYR 4 2HB TYR 4 -5.522 5.253 3.579
29 2HB TYR 4 1HB TYR 4 -6.251 5.977 2.149
30 HD1 TYR 4 1HD TYR 4 -6.477 5.579 5.688
31 HD2 TYR 4 2HD TYR 4 -8.774 6.428 2.208
32 HE1 TYR 4 1HE TYR 4 -8.228 6.578 7.095
33 HE2 TYR 4 2HE TYR 4 -10.532 7.431 3.606
34 HH TYR 4 HH TYR 4 -11.305 7.188 6.047
35 H CYS 5 H CYS 5 -5.875 1.745 1.525
36 HA CYS 5 HA CYS 5 -4.477 2.938 -0.718
37 1HB CYS 5 2HB CYS 5 -3.253 1.223 0.369
38 2HB CYS 5 1HB CYS 5 -4.638 0.139 0.394
39 H ILE 6 H ILE 6 -5.574 3.394 -2.505
40 HA ILE 6 HA ILE 6 -8.065 2.132 -3.152
41 HB ILE 6 HB ILE 6 -7.990 3.507 -5.204
42 1HG1 ILE 6 2HG1 ILE 6 -5.370 4.560 -4.120
43 2HG1 ILE 6 1HG1 ILE 6 -5.492 3.411 -5.449
44 1HG2 ILE 6 1HG2 ILE 6 -8.109 5.688 -4.085
45 2HG2 ILE 6 2HG2 ILE 6 -7.342 4.989 -2.660
46 3HG2 ILE 6 3HG2 ILE 6 -8.936 4.429 -3.168
47 1HD1 ILE 6 1HD1 ILE 6 -6.402 6.268 -5.376
48 2HD1 ILE 6 2HD1 ILE 6 -6.906 5.136 -6.631
49 3HD1 ILE 6 3HD1 ILE 6 -5.198 5.524 -6.429
50 H LEU 7 H LEU 7 -4.733 1.784 -4.151
51 HA LEU 7 HA LEU 7 -5.096 0.361 -6.531
52 1HB LEU 7 2HB LEU 7 -2.949 1.298 -5.274
53 2HB LEU 7 1HB LEU 7 -2.843 -0.365 -4.730
54 HG LEU 7 HG LEU 7 -3.016 0.399 -7.641
55 1HD1 LEU 7 1HD1 LEU 7 -0.978 1.299 -7.256
56 2HD1 LEU 7 2HD1 LEU 7 -0.477 -0.388 -7.359
57 3HD1 LEU 7 3HD1 LEU 7 -0.719 0.366 -5.783
58 1HD2 LEU 7 1HD2 LEU 7 -2.761 -2.112 -6.113
59 2HD2 LEU 7 2HD2 LEU 7 -1.745 -1.962 -7.546
60 3HD2 LEU 7 3HD2 LEU 7 -3.496 -1.809 -7.686
61 HA PRO 8 HA PRO 8 -7.209 -3.238 -4.787
62 1HB PRO 8 2HB PRO 8 -6.490 -4.235 -7.506
63 2HB PRO 8 1HB PRO 8 -8.035 -4.312 -6.652
64 1HG PRO 8 2HG PRO 8 -7.660 -2.551 -8.608
65 2HG PRO 8 1HG PRO 8 -8.572 -2.110 -7.153
66 1HD PRO 8 2HD PRO 8 -5.794 -1.371 -7.946
67 2HD PRO 8 1HD PRO 8 -7.007 -0.426 -7.059
68 H LYS 9 H LYS 9 -4.484 -3.851 -7.017
69 HA LYS 9 HA LYS 9 -3.322 -5.614 -4.960
70 1HB LYS 9 2HB LYS 9 -3.107 -6.050 -7.939
71 2HB LYS 9 1HB LYS 9 -2.579 -7.137 -6.662
72 1HG LYS 9 2HG LYS 9 -4.651 -7.956 -6.312
73 2HG LYS 9 1HG LYS 9 -5.438 -6.414 -6.654
74 1HD LYS 9 2HD LYS 9 -5.106 -6.742 -9.036
75 2HD LYS 9 1HD LYS 9 -4.226 -8.240 -8.728
76 1HE LYS 9 2HE LYS 9 -6.933 -8.043 -7.563
77 2HE LYS 9 1HE LYS 9 -6.846 -8.149 -9.320
78 1HZ LYS 9 1HZ LYS 9 -5.632 -10.184 -9.152
79 2HZ LYS 9 2HZ LYS 9 -7.021 -10.326 -8.199
80 3HZ LYS 9 3HZ LYS 9 -5.521 -10.053 -7.469
81 H CYS 10 H CYS 10 -1.834 -4.179 -4.170
82 HA CYS 10 HA CYS 10 0.150 -3.154 -6.093
83 1HB CYS 10 2HB CYS 10 0.586 -1.325 -4.563
84 2HB CYS 10 1HB CYS 10 -1.138 -1.391 -4.912
85 H ALA 11 H ALA 11 -0.321 -4.585 -2.898
86 HA ALA 11 HA ALA 11 2.553 -5.208 -2.793
87 1HB ALA 11 1HB ALA 11 2.433 -5.253 -0.469
88 2HB ALA 11 2HB ALA 11 0.684 -5.484 -0.466
89 3HB ALA 11 3HB ALA 11 1.366 -3.919 -0.906
90 H ALA 12 H ALA 12 2.542 -7.291 -1.015
91 HA ALA 12 HA ALA 12 1.383 -9.430 -2.650
92 1HB ALA 12 1HB ALA 12 3.123 -10.771 -2.037
93 2HB ALA 12 2HB ALA 12 3.294 -10.015 -0.452
94 3HB ALA 12 3HB ALA 12 3.904 -9.197 -1.890
95 H ALA 13 H ALA 13 2.087 -9.049 0.828
96 HA ALA 13 HA ALA 13 -0.382 -10.518 1.415
97 1HB ALA 13 1HB ALA 13 2.210 -10.173 2.806
98 2HB ALA 13 2HB ALA 13 1.200 -11.608 2.627
99 3HB ALA 13 3HB ALA 13 0.773 -10.371 3.809
100 H ALA 14 H ALA 14 -0.370 -7.702 0.615
101 HA ALA 14 HA ALA 14 -1.370 -5.738 1.179
102 1HB ALA 14 1HB ALA 14 -3.344 -6.867 1.660
103 2HB ALA 14 2HB ALA 14 -3.053 -5.926 3.124
104 3HB ALA 14 3HB ALA 14 -2.665 -7.646 3.088
105 H ASN 15 H ASN 15 1.099 -5.559 1.908
106 HA ASN 15 HA ASN 15 1.458 -5.152 4.738
107 1HB ASN 15 2HB ASN 15 3.713 -4.274 4.004
108 2HB ASN 15 1HB ASN 15 3.369 -5.936 3.541
109 1HD2 ASN 15 1HD2 ASN 15 4.503 -6.171 1.726
110 2HD2 ASN 15 2HD2 ASN 15 4.340 -5.185 0.317
111 H VAL 16 H VAL 16 1.798 -3.230 5.792
112 HA VAL 16 HA VAL 16 0.557 -0.917 4.504
113 HB VAL 16 HB VAL 16 -0.121 -1.998 6.801
114 1HG1 VAL 16 1HG1 VAL 16 0.850 -0.869 8.729
115 2HG1 VAL 16 2HG1 VAL 16 2.001 -0.045 7.679
116 3HG1 VAL 16 3HG1 VAL 16 2.068 -1.798 7.858
117 1HG2 VAL 16 1HG2 VAL 16 -0.177 0.860 7.226
118 2HG2 VAL 16 2HG2 VAL 16 -1.499 -0.253 6.873
119 3HG2 VAL 16 3HG2 VAL 16 -0.558 0.447 5.555
120 H ALA 17 H ALA 17 3.395 -1.804 6.421
121 HA ALA 17 HA ALA 17 4.588 0.790 6.249
122 1HB ALA 17 1HB ALA 17 5.349 -1.843 7.361
123 2HB ALA 17 2HB ALA 17 5.404 -0.240 8.095
124 3HB ALA 17 3HB ALA 17 6.660 -0.734 6.959
125 H ALA 18 H ALA 18 4.326 -1.776 4.054
126 HA ALA 18 HA ALA 18 6.606 -0.726 2.510
127 1HB ALA 18 1HB ALA 18 6.523 -3.220 3.478
128 2HB ALA 18 2HB ALA 18 7.319 -2.799 1.961
129 3HB ALA 18 3HB ALA 18 5.690 -3.475 1.944
130 H HIS 19 H HIS 19 3.489 -0.317 2.588
131 HA HIS 19 HA HIS 19 2.848 -1.031 -0.155
132 1HB HIS 19 2HB HIS 19 0.810 -1.263 0.750
133 2HB HIS 19 1HB HIS 19 1.336 -0.507 2.246
134 HD2 HIS 19 2HD HIS 19 0.806 2.224 2.477
135 HE1 HIS 19 1HE HIS 19 -1.625 2.399 -0.979
136 HE2 HIS 19 2HE HIS 19 -1.000 3.565 1.189
137 H THR 20 H THR 20 2.904 1.950 1.813
138 HA THR 20 HA THR 20 2.345 3.819 -0.096
139 HB THR 20 HB THR 20 2.660 4.453 2.207
140 HG1 THR 20 1HG THR 20 4.012 6.279 1.896
141 1HG2 THR 20 1HG2 THR 20 5.294 4.780 2.731
142 2HG2 THR 20 2HG2 THR 20 5.302 3.241 1.871
143 3HG2 THR 20 3HG2 THR 20 4.311 3.438 3.316
144 H THR 21 H THR 21 5.249 1.931 0.173
145 HA THR 21 HA THR 21 7.113 3.422 -1.189
146 HB THR 21 HB THR 21 7.442 1.156 -0.154
147 HG1 THR 21 1HG THR 21 9.131 0.725 -1.461
148 1HG2 THR 21 1HG2 THR 21 6.568 0.052 -2.801
149 2HG2 THR 21 2HG2 THR 21 5.540 0.053 -1.369
150 3HG2 THR 21 3HG2 THR 21 7.067 -0.830 -1.358
151 H HIS 22 H HIS 22 4.489 1.482 -2.530
152 HA HIS 22 HA HIS 22 5.198 2.401 -5.230
153 1HB HIS 22 2HB HIS 22 3.351 0.672 -5.851
154 2HB HIS 22 1HB HIS 22 4.940 0.094 -5.362
155 HD1 HIS 22 1HD HIS 22 4.808 -1.792 -3.803
156 HD2 HIS 22 2HD HIS 22 1.570 0.783 -3.331
157 HE1 HIS 22 1HE HIS 22 3.398 -2.807 -1.992
158 HE2 HIS 22 2HE HIS 22 1.558 -1.136 -1.602
159 H CYS 23 H CYS 23 2.630 2.399 -2.861
160 HA CYS 23 HA CYS 23 0.796 3.782 -4.603
161 1HB CYS 23 2HB CYS 23 0.738 2.571 -1.891
162 2HB CYS 23 1HB CYS 23 -0.435 3.823 -2.250
163 H PHE 24 H PHE 24 -0.431 5.659 -3.329
164 HA PHE 24 HA PHE 24 1.654 7.583 -2.541
165 1HB PHE 24 2HB PHE 24 -1.062 8.103 -3.771
166 2HB PHE 24 1HB PHE 24 0.106 9.341 -3.321
167 HD1 PHE 24 1HD PHE 24 2.622 8.227 -4.277
168 HD2 PHE 24 2HD PHE 24 -1.236 8.186 -6.070
169 HE1 PHE 24 1HE PHE 24 3.662 8.057 -6.500
170 HE2 PHE 24 2HE PHE 24 -0.204 8.016 -8.297
171 HZ PHE 24 HZ PHE 24 2.248 7.951 -8.515
172 H LYS 25 H LYS 25 0.481 5.753 -0.689
173 HA LYS 25 HA LYS 25 -0.403 5.704 1.406
174 1HB LYS 25 2HB LYS 25 1.067 7.946 1.331
175 2HB LYS 25 1HB LYS 25 -0.512 8.665 1.614
176 1HG LYS 25 2HG LYS 25 -0.572 6.745 3.476
177 2HG LYS 25 1HG LYS 25 1.170 7.016 3.390
178 1HD LYS 25 2HD LYS 25 0.579 9.513 3.584
179 2HD LYS 25 1HD LYS 25 -1.005 8.951 4.123
180 1HE LYS 25 2HE LYS 25 -0.017 9.040 6.154
181 2HE LYS 25 1HE LYS 25 0.561 7.441 5.690
182 1HZ LYS 25 1HZ LYS 25 2.036 10.007 5.518
183 2HZ LYS 25 2HZ LYS 25 2.580 8.575 4.803
184 3HZ LYS 25 3HZ LYS 25 2.407 8.668 6.483
Start of MODEL 6
1 1H ALA 1 1HT ALA 1 -0.737 4.300 4.090
2 2H ALA 1 2HT ALA 1 -0.786 4.621 5.776
3 3H ALA 1 3HT ALA 1 -2.192 4.842 4.816
4 HA ALA 1 HA ALA 1 -0.849 2.338 5.550
5 1HB ALA 1 1HB ALA 1 -2.594 1.958 6.928
6 2HB ALA 1 2HB ALA 1 -3.753 2.746 5.858
7 3HB ALA 1 3HB ALA 1 -2.717 3.717 6.904
8 H VAL 2 H VAL 2 -2.731 0.571 4.961
9 HA VAL 2 HA VAL 2 -2.881 0.705 2.037
10 HB VAL 2 HB VAL 2 -1.719 -1.245 2.984
11 1HG1 VAL 2 1HG1 VAL 2 -3.602 -1.203 4.943
12 2HG1 VAL 2 2HG1 VAL 2 -2.534 -2.565 4.608
13 3HG1 VAL 2 3HG1 VAL 2 -4.168 -2.543 3.947
14 1HG2 VAL 2 1HG2 VAL 2 -4.162 -2.500 1.910
15 2HG2 VAL 2 2HG2 VAL 2 -2.487 -2.633 1.377
16 3HG2 VAL 2 3HG2 VAL 2 -3.448 -1.226 0.921
17 H TYR 3 H TYR 3 -4.844 0.532 4.901
18 HA TYR 3 HA TYR 3 -7.243 -0.424 3.879
19 1HB TYR 3 2HB TYR 3 -6.445 0.480 6.304
20 2HB TYR 3 1HB TYR 3 -7.448 1.831 5.786
21 HD1 TYR 3 1HD TYR 3 -7.431 -1.373 7.300
22 HD2 TYR 3 2HD TYR 3 -9.832 1.229 4.940
23 HE1 TYR 3 1HE TYR 3 -9.440 -2.614 7.985
24 HE2 TYR 3 2HE TYR 3 -11.848 -0.004 5.620
25 HH TYR 3 HH TYR 3 -12.481 -1.491 7.709
26 H TYR 4 H TYR 4 -5.746 2.716 3.573
27 HA TYR 4 HA TYR 4 -8.103 3.871 2.320
28 1HB TYR 4 2HB TYR 4 -5.498 4.902 3.317
29 2HB TYR 4 1HB TYR 4 -6.261 5.787 2.000
30 HD1 TYR 4 1HD TYR 4 -6.024 5.511 5.480
31 HD2 TYR 4 2HD TYR 4 -8.843 6.290 2.389
32 HE1 TYR 4 1HE TYR 4 -7.474 6.659 7.100
33 HE2 TYR 4 2HE TYR 4 -10.301 7.440 4.002
34 HH TYR 4 HH TYR 4 -10.639 7.316 6.593
35 H CYS 5 H CYS 5 -5.121 2.364 1.442
36 HA CYS 5 HA CYS 5 -4.611 3.396 -1.071
37 1HB CYS 5 2HB CYS 5 -3.092 1.837 -0.013
38 2HB CYS 5 1HB CYS 5 -4.300 0.560 -0.069
39 H ILE 6 H ILE 6 -5.646 3.372 -2.959
40 HA ILE 6 HA ILE 6 -8.160 1.954 -3.182
41 HB ILE 6 HB ILE 6 -8.389 3.129 -5.341
42 1HG1 ILE 6 2HG1 ILE 6 -5.787 4.495 -4.637
43 2HG1 ILE 6 1HG1 ILE 6 -5.905 3.176 -5.798
44 1HG2 ILE 6 1HG2 ILE 6 -8.838 5.245 -4.426
45 2HG2 ILE 6 2HG2 ILE 6 -7.546 5.096 -3.235
46 3HG2 ILE 6 3HG2 ILE 6 -9.006 4.118 -3.079
47 1HD1 ILE 6 1HD1 ILE 6 -6.063 4.887 -7.250
48 2HD1 ILE 6 2HD1 ILE 6 -6.705 5.999 -6.043
49 3HD1 ILE 6 3HD1 ILE 6 -7.766 4.812 -6.802
50 H LEU 7 H LEU 7 -4.913 1.719 -4.441
51 HA LEU 7 HA LEU 7 -5.354 0.095 -6.663
52 1HB LEU 7 2HB LEU 7 -3.068 0.634 -4.855
53 2HB LEU 7 1HB LEU 7 -2.965 -0.813 -5.840
54 HG LEU 7 HG LEU 7 -3.716 1.667 -7.266
55 1HD1 LEU 7 1HD1 LEU 7 -2.075 2.821 -6.211
56 2HD1 LEU 7 2HD1 LEU 7 -1.077 1.985 -7.400
57 3HD1 LEU 7 3HD1 LEU 7 -1.192 1.365 -5.752
58 1HD2 LEU 7 1HD2 LEU 7 -1.643 -0.413 -7.916
59 2HD2 LEU 7 2HD2 LEU 7 -2.450 0.705 -9.016
60 3HD2 LEU 7 3HD2 LEU 7 -3.356 -0.616 -8.281
61 HA PRO 8 HA PRO 8 -6.795 -3.609 -4.614
62 1HB PRO 8 2HB PRO 8 -6.943 -5.196 -6.799
63 2HB PRO 8 1HB PRO 8 -8.125 -3.923 -6.469
64 1HG PRO 8 2HG PRO 8 -5.770 -3.888 -8.316
65 2HG PRO 8 1HG PRO 8 -7.413 -3.278 -8.586
66 1HD PRO 8 2HD PRO 8 -5.331 -1.667 -7.914
67 2HD PRO 8 1HD PRO 8 -7.008 -1.321 -7.447
68 H LYS 9 H LYS 9 -4.219 -3.873 -7.063
69 HA LYS 9 HA LYS 9 -3.009 -6.031 -5.476
70 1HB LYS 9 2HB LYS 9 -2.810 -5.270 -8.378
71 2HB LYS 9 1HB LYS 9 -1.603 -6.305 -7.627
72 1HG LYS 9 2HG LYS 9 -2.991 -8.077 -7.516
73 2HG LYS 9 1HG LYS 9 -4.414 -7.081 -7.201
74 1HD LYS 9 2HD LYS 9 -4.636 -6.525 -9.502
75 2HD LYS 9 1HD LYS 9 -3.056 -7.211 -9.886
76 1HE LYS 9 2HE LYS 9 -4.077 -9.416 -8.975
77 2HE LYS 9 1HE LYS 9 -5.622 -8.609 -9.242
78 1HZ LYS 9 1HZ LYS 9 -3.665 -8.611 -11.421
79 2HZ LYS 9 2HZ LYS 9 -5.355 -8.635 -11.490
80 3HZ LYS 9 3HZ LYS 9 -4.505 -10.046 -11.104
81 H CYS 10 H CYS 10 -2.253 -4.352 -3.967
82 HA CYS 10 HA CYS 10 0.086 -2.883 -4.982
83 1HB CYS 10 2HB CYS 10 -2.064 -2.028 -3.398
84 2HB CYS 10 1HB CYS 10 -0.701 -2.153 -2.292
85 H ALA 11 H ALA 11 -1.036 -5.151 -2.558
86 HA ALA 11 HA ALA 11 1.753 -5.837 -1.983
87 1HB ALA 11 1HB ALA 11 -0.324 -5.056 0.029
88 2HB ALA 11 2HB ALA 11 1.345 -4.507 -0.119
89 3HB ALA 11 3HB ALA 11 1.001 -6.136 0.462
90 H ALA 12 H ALA 12 2.071 -7.986 -1.243
91 HA ALA 12 HA ALA 12 -0.140 -9.780 -1.963
92 1HB ALA 12 1HB ALA 12 1.409 -11.363 -2.636
93 2HB ALA 12 2HB ALA 12 2.690 -10.689 -1.627
94 3HB ALA 12 3HB ALA 12 2.189 -9.850 -3.096
95 H ALA 13 H ALA 13 0.263 -8.421 0.670
96 HA ALA 13 HA ALA 13 -0.451 -10.586 2.334
97 1HB ALA 13 1HB ALA 13 2.132 -9.477 3.290
98 2HB ALA 13 2HB ALA 13 2.174 -10.689 2.009
99 3HB ALA 13 3HB ALA 13 1.413 -11.065 3.555
100 H ALA 14 H ALA 14 -1.360 -7.936 1.652
101 HA ALA 14 HA ALA 14 -2.212 -6.047 2.596
102 1HB ALA 14 1HB ALA 14 -3.628 -7.203 3.944
103 2HB ALA 14 2HB ALA 14 -2.650 -6.428 5.191
104 3HB ALA 14 3HB ALA 14 -2.329 -8.101 4.730
105 H ASN 15 H ASN 15 0.732 -6.352 2.522
106 HA ASN 15 HA ASN 15 1.720 -5.080 4.912
107 1HB ASN 15 2HB ASN 15 3.863 -4.949 3.574
108 2HB ASN 15 1HB ASN 15 3.234 -6.572 3.831
109 1HD2 ASN 15 1HD2 ASN 15 2.788 -7.813 2.118
110 2HD2 ASN 15 2HD2 ASN 15 2.896 -7.300 0.473
111 H VAL 16 H VAL 16 2.039 -3.023 5.285
112 HA VAL 16 HA VAL 16 1.202 -1.099 3.243
113 HB VAL 16 HB VAL 16 1.106 -1.223 6.189
114 1HG1 VAL 16 1HG1 VAL 16 0.924 1.301 6.331
115 2HG1 VAL 16 2HG1 VAL 16 1.704 1.356 4.749
116 3HG1 VAL 16 3HG1 VAL 16 2.553 0.655 6.127
117 1HG2 VAL 16 1HG2 VAL 16 -0.969 0.105 5.762
118 2HG2 VAL 16 2HG2 VAL 16 -0.910 -1.458 4.947
119 3HG2 VAL 16 3HG2 VAL 16 -0.595 0.022 4.041
120 H ALA 17 H ALA 17 3.784 -1.626 5.639
121 HA ALA 17 HA ALA 17 5.395 0.541 5.139
122 1HB ALA 17 1HB ALA 17 7.301 -1.227 5.616
123 2HB ALA 17 2HB ALA 17 5.923 -2.240 6.044
124 3HB ALA 17 3HB ALA 17 6.184 -0.709 6.879
125 H ALA 18 H ALA 18 4.867 -2.261 3.148
126 HA ALA 18 HA ALA 18 7.068 -1.567 1.365
127 1HB ALA 18 1HB ALA 18 6.391 -3.961 2.084
128 2HB ALA 18 2HB ALA 18 6.834 -3.661 0.404
129 3HB ALA 18 3HB ALA 18 5.134 -3.792 0.858
130 H HIS 19 H HIS 19 3.629 -1.232 1.625
131 HA HIS 19 HA HIS 19 3.204 -0.734 -1.174
132 1HB HIS 19 2HB HIS 19 1.102 -1.217 -0.566
133 2HB HIS 19 1HB HIS 19 1.567 -1.201 1.129
134 HD2 HIS 19 2HD HIS 19 1.151 1.253 2.461
135 HE1 HIS 19 1HE HIS 19 -1.330 2.816 -0.587
136 HE2 HIS 19 2HE HIS 19 -0.386 3.210 1.731
137 H THR 20 H THR 20 3.240 1.285 1.765
138 HA THR 20 HA THR 20 2.672 3.742 0.724
139 HB THR 20 HB THR 20 3.062 3.359 3.103
140 HG1 THR 20 1HG THR 20 3.237 5.461 2.781
141 1HG2 THR 20 1HG2 THR 20 5.951 3.679 3.033
142 2HG2 THR 20 2HG2 THR 20 5.396 2.129 2.400
143 3HG2 THR 20 3HG2 THR 20 4.945 2.628 4.030
144 H THR 21 H THR 21 5.571 1.894 0.203
145 HA THR 21 HA THR 21 7.418 3.796 -0.515
146 HB THR 21 HB THR 21 7.738 1.297 -0.432
147 HG1 THR 21 1HG THR 21 9.459 2.338 -1.214
148 1HG2 THR 21 1HG2 THR 21 6.957 1.274 -3.319
149 2HG2 THR 21 2HG2 THR 21 5.819 0.832 -2.046
150 3HG2 THR 21 3HG2 THR 21 7.311 -0.084 -2.251
151 H HIS 22 H HIS 22 4.762 2.518 -2.452
152 HA HIS 22 HA HIS 22 5.442 4.380 -4.617
153 1HB HIS 22 2HB HIS 22 3.526 3.034 -5.783
154 2HB HIS 22 1HB HIS 22 5.124 2.314 -5.619
155 HD1 HIS 22 1HD HIS 22 5.081 0.001 -4.802
156 HD2 HIS 22 2HD HIS 22 1.790 2.152 -3.426
157 HE1 HIS 22 1HE HIS 22 3.717 -1.633 -3.470
158 HE2 HIS 22 2HE HIS 22 1.837 -0.264 -2.510
159 H CYS 23 H CYS 23 2.891 3.505 -2.387
160 HA CYS 23 HA CYS 23 1.076 5.488 -3.428
161 1HB CYS 23 2HB CYS 23 1.016 3.324 -1.396
162 2HB CYS 23 1HB CYS 23 -0.123 4.643 -1.208
163 H PHE 24 H PHE 24 0.737 7.479 -2.622
164 HA PHE 24 HA PHE 24 2.241 8.241 -0.205
165 1HB PHE 24 2HB PHE 24 2.093 10.589 -1.203
166 2HB PHE 24 1HB PHE 24 3.168 9.451 -2.011
167 HD1 PHE 24 1HD PHE 24 2.983 9.116 -4.291
168 HD2 PHE 24 2HD PHE 24 -0.294 10.801 -2.163
169 HE1 PHE 24 1HE PHE 24 1.818 9.525 -6.419
170 HE2 PHE 24 2HE PHE 24 -1.466 11.213 -4.287
171 HZ PHE 24 HZ PHE 24 -0.410 10.574 -6.418
172 H LYS 25 H LYS 25 -0.439 7.115 -0.265
173 HA LYS 25 HA LYS 25 -2.470 7.427 0.710
174 1HB LYS 25 2HB LYS 25 -0.762 9.503 1.991
175 2HB LYS 25 1HB LYS 25 -2.500 9.612 2.235
176 1HG LYS 25 2HG LYS 25 -2.572 7.775 3.547
177 2HG LYS 25 1HG LYS 25 -1.278 6.960 2.668
178 1HD LYS 25 2HD LYS 25 -0.457 9.374 4.132
179 2HD LYS 25 1HD LYS 25 -1.013 8.040 5.145
180 1HE LYS 25 2HE LYS 25 0.590 6.736 3.383
181 2HE LYS 25 1HE LYS 25 1.412 8.290 3.504
182 1HZ LYS 25 1HZ LYS 25 0.573 7.075 6.011
183 2HZ LYS 25 2HZ LYS 25 1.990 7.920 5.638
184 3HZ LYS 25 3HZ LYS 25 1.833 6.296 5.192
Start of MODEL 7
1 1H ALA 1 1HT ALA 1 0.170 3.273 3.957
2 2H ALA 1 2HT ALA 1 -0.257 4.734 4.749
3 3H ALA 1 3HT ALA 1 -0.802 4.431 3.150
4 HA ALA 1 HA ALA 1 -1.515 2.844 5.520
5 1HB ALA 1 1HB ALA 1 -2.609 4.842 5.903
6 2HB ALA 1 2HB ALA 1 -3.804 3.941 4.971
7 3HB ALA 1 3HB ALA 1 -2.821 5.176 4.186
8 H VAL 2 H VAL 2 -2.603 1.009 5.084
9 HA VAL 2 HA VAL 2 -2.907 0.273 2.274
10 HB VAL 2 HB VAL 2 -1.708 -1.288 3.745
11 1HG1 VAL 2 1HG1 VAL 2 -2.868 -0.824 5.833
12 2HG1 VAL 2 2HG1 VAL 2 -2.922 -2.548 5.463
13 3HG1 VAL 2 3HG1 VAL 2 -4.344 -1.543 5.189
14 1HG2 VAL 2 1HG2 VAL 2 -4.266 -2.670 3.063
15 2HG2 VAL 2 2HG2 VAL 2 -2.601 -3.200 2.820
16 3HG2 VAL 2 3HG2 VAL 2 -3.290 -1.956 1.778
17 H TYR 3 H TYR 3 -4.802 0.601 5.234
18 HA TYR 3 HA TYR 3 -7.224 -0.437 4.277
19 1HB TYR 3 2HB TYR 3 -6.360 0.566 6.672
20 2HB TYR 3 1HB TYR 3 -7.463 1.830 6.141
21 HD1 TYR 3 1HD TYR 3 -7.308 -1.887 6.485
22 HD2 TYR 3 2HD TYR 3 -9.711 1.620 6.649
23 HE1 TYR 3 1HE TYR 3 -9.212 -3.235 7.263
24 HE2 TYR 3 2HE TYR 3 -11.621 0.282 7.428
25 HH TYR 3 HH TYR 3 -11.618 -3.144 7.354
26 H TYR 4 H TYR 4 -5.723 2.698 3.920
27 HA TYR 4 HA TYR 4 -8.091 3.848 2.688
28 1HB TYR 4 2HB TYR 4 -6.141 4.973 4.183
29 2HB TYR 4 1HB TYR 4 -5.515 5.304 2.571
30 HD1 TYR 4 1HD TYR 4 -5.848 7.582 2.235
31 HD2 TYR 4 2HD TYR 4 -9.036 5.236 3.792
32 HE1 TYR 4 1HE TYR 4 -7.355 9.516 2.045
33 HE2 TYR 4 2HE TYR 4 -10.553 7.162 3.606
34 HH TYR 4 HH TYR 4 -10.190 9.796 3.583
35 H CYS 5 H CYS 5 -5.125 2.325 1.769
36 HA CYS 5 HA CYS 5 -4.664 3.316 -0.767
37 1HB CYS 5 2HB CYS 5 -3.121 1.769 0.245
38 2HB CYS 5 1HB CYS 5 -4.340 0.503 0.294
39 H ILE 6 H ILE 6 -5.914 3.449 -2.501
40 HA ILE 6 HA ILE 6 -8.233 1.681 -2.748
41 HB ILE 6 HB ILE 6 -8.941 3.239 -4.558
42 1HG1 ILE 6 2HG1 ILE 6 -6.727 5.050 -3.610
43 2HG1 ILE 6 1HG1 ILE 6 -6.522 3.981 -4.995
44 1HG2 ILE 6 1HG2 ILE 6 -9.512 5.103 -3.053
45 2HG2 ILE 6 2HG2 ILE 6 -8.359 4.479 -1.872
46 3HG2 ILE 6 3HG2 ILE 6 -9.778 3.528 -2.307
47 1HD1 ILE 6 1HD1 ILE 6 -7.455 5.504 -6.290
48 2HD1 ILE 6 2HD1 ILE 6 -7.699 6.555 -4.895
49 3HD1 ILE 6 3HD1 ILE 6 -8.945 5.394 -5.353
50 H LEU 7 H LEU 7 -5.628 0.616 -3.264
51 HA LEU 7 HA LEU 7 -5.962 -0.102 -6.093
52 1HB LEU 7 2HB LEU 7 -4.052 1.533 -5.647
53 2HB LEU 7 1HB LEU 7 -3.264 0.218 -4.797
54 HG LEU 7 HG LEU 7 -4.114 0.046 -7.685
55 1HD1 LEU 7 1HD1 LEU 7 -1.298 0.472 -6.756
56 2HD1 LEU 7 2HD1 LEU 7 -2.365 1.836 -7.090
57 3HD1 LEU 7 3HD1 LEU 7 -1.984 0.682 -8.367
58 1HD2 LEU 7 1HD2 LEU 7 -3.809 -2.128 -7.105
59 2HD2 LEU 7 2HD2 LEU 7 -2.724 -1.737 -5.772
60 3HD2 LEU 7 3HD2 LEU 7 -2.128 -1.707 -7.431
61 HA PRO 8 HA PRO 8 -5.799 -3.975 -3.675
62 1HB PRO 8 2HB PRO 8 -7.561 -5.350 -5.157
63 2HB PRO 8 1HB PRO 8 -8.086 -4.141 -3.981
64 1HG PRO 8 2HG PRO 8 -7.825 -3.905 -6.952
65 2HG PRO 8 1HG PRO 8 -9.117 -3.313 -5.892
66 1HD PRO 8 2HD PRO 8 -7.080 -1.745 -6.854
67 2HD PRO 8 1HD PRO 8 -7.962 -1.412 -5.351
68 H LYS 9 H LYS 9 -3.645 -3.413 -5.239
69 HA LYS 9 HA LYS 9 -2.780 -5.909 -6.118
70 1HB LYS 9 2HB LYS 9 -4.491 -4.942 -7.984
71 2HB LYS 9 1HB LYS 9 -2.977 -4.267 -8.569
72 1HG LYS 9 2HG LYS 9 -2.138 -6.288 -9.151
73 2HG LYS 9 1HG LYS 9 -2.968 -7.134 -7.843
74 1HD LYS 9 2HD LYS 9 -4.804 -7.532 -9.095
75 2HD LYS 9 1HD LYS 9 -4.718 -5.967 -9.904
76 1HE LYS 9 2HE LYS 9 -2.670 -8.048 -10.520
77 2HE LYS 9 1HE LYS 9 -4.279 -8.187 -11.228
78 1HZ LYS 9 1HZ LYS 9 -3.768 -5.659 -11.778
79 2HZ LYS 9 2HZ LYS 9 -3.315 -6.920 -12.810
80 3HZ LYS 9 3HZ LYS 9 -2.179 -6.240 -11.758
81 H CYS 10 H CYS 10 -1.818 -3.735 -4.578
82 HA CYS 10 HA CYS 10 0.471 -2.811 -6.185
83 1HB CYS 10 2HB CYS 10 0.691 -0.952 -4.667
84 2HB CYS 10 1HB CYS 10 -0.983 -1.031 -5.200
85 H ALA 11 H ALA 11 -0.481 -4.186 -3.072
86 HA ALA 11 HA ALA 11 2.329 -4.754 -2.459
87 1HB ALA 11 1HB ALA 11 0.077 -5.330 -0.579
88 2HB ALA 11 2HB ALA 11 0.637 -3.673 -0.808
89 3HB ALA 11 3HB ALA 11 1.753 -4.909 -0.226
90 H ALA 12 H ALA 12 2.029 -6.956 -0.816
91 HA ALA 12 HA ALA 12 0.995 -9.026 -2.641
92 1HB ALA 12 1HB ALA 12 2.895 -10.323 -2.429
93 2HB ALA 12 2HB ALA 12 3.401 -9.526 -0.940
94 3HB ALA 12 3HB ALA 12 3.567 -8.694 -2.486
95 H ALA 13 H ALA 13 1.882 -8.243 0.703
96 HA ALA 13 HA ALA 13 -0.021 -10.304 1.609
97 1HB ALA 13 1HB ALA 13 2.480 -9.244 2.897
98 2HB ALA 13 2HB ALA 13 2.120 -10.898 2.404
99 3HB ALA 13 3HB ALA 13 1.276 -10.185 3.779
100 H ALA 14 H ALA 14 -0.609 -7.513 0.828
101 HA ALA 14 HA ALA 14 -1.855 -5.743 1.534
102 1HB ALA 14 1HB ALA 14 -3.598 -7.122 2.125
103 2HB ALA 14 2HB ALA 14 -3.282 -6.295 3.651
104 3HB ALA 14 3HB ALA 14 -2.673 -7.930 3.390
105 H ASN 15 H ASN 15 0.872 -5.825 2.394
106 HA ASN 15 HA ASN 15 0.971 -4.963 5.141
107 1HB ASN 15 2HB ASN 15 3.378 -4.449 4.559
108 2HB ASN 15 1HB ASN 15 2.895 -6.126 4.339
109 1HD2 ASN 15 1HD2 ASN 15 4.510 -6.538 2.859
110 2HD2 ASN 15 2HD2 ASN 15 4.484 -5.904 1.252
111 H VAL 16 H VAL 16 1.629 -2.911 5.859
112 HA VAL 16 HA VAL 16 0.654 -0.759 4.133
113 HB VAL 16 HB VAL 16 -0.140 -1.305 6.579
114 1HG1 VAL 16 1HG1 VAL 16 0.949 0.057 8.279
115 2HG1 VAL 16 2HG1 VAL 16 2.185 0.536 7.117
116 3HG1 VAL 16 3HG1 VAL 16 2.058 -1.148 7.625
117 1HG2 VAL 16 1HG2 VAL 16 -1.220 0.680 6.511
118 2HG2 VAL 16 2HG2 VAL 16 -0.523 0.741 4.892
119 3HG2 VAL 16 3HG2 VAL 16 0.257 1.598 6.221
120 H ALA 17 H ALA 17 3.374 -1.577 6.245
121 HA ALA 17 HA ALA 17 4.863 0.778 5.766
122 1HB ALA 17 1HB ALA 17 6.135 -1.844 6.458
123 2HB ALA 17 2HB ALA 17 5.136 -0.981 7.628
124 3HB ALA 17 3HB ALA 17 6.584 -0.217 6.972
125 H ALA 18 H ALA 18 4.427 -2.131 3.941
126 HA ALA 18 HA ALA 18 6.692 -1.463 2.201
127 1HB ALA 18 1HB ALA 18 5.881 -3.877 3.196
128 2HB ALA 18 2HB ALA 18 6.938 -3.648 1.802
129 3HB ALA 18 3HB ALA 18 5.208 -3.896 1.567
130 H HIS 19 H HIS 19 3.433 -0.830 2.392
131 HA HIS 19 HA HIS 19 2.854 -1.107 -0.428
132 1HB HIS 19 2HB HIS 19 0.774 -1.273 0.393
133 2HB HIS 19 1HB HIS 19 1.319 -0.763 1.985
134 HD2 HIS 19 2HD HIS 19 1.028 1.972 2.540
135 HE1 HIS 19 1HE HIS 19 -1.343 2.745 -0.876
136 HE2 HIS 19 2HE HIS 19 -0.367 3.732 1.244
137 H THR 20 H THR 20 3.100 1.616 1.870
138 HA THR 20 HA THR 20 2.718 3.730 0.185
139 HB THR 20 HB THR 20 3.019 4.199 2.480
140 HG1 THR 20 1HG THR 20 4.208 5.933 2.261
141 1HG2 THR 20 1HG2 THR 20 5.649 3.940 3.182
142 2HG2 THR 20 2HG2 THR 20 5.341 2.464 2.266
143 3HG2 THR 20 3HG2 THR 20 4.340 2.860 3.663
144 H THR 21 H THR 21 5.457 1.595 0.249
145 HA THR 21 HA THR 21 7.447 3.087 -0.927
146 HB THR 21 HB THR 21 7.588 0.704 -0.130
147 HG1 THR 21 1HG THR 21 9.410 1.084 -1.103
148 1HG2 THR 21 1HG2 THR 21 6.826 -0.123 -2.896
149 2HG2 THR 21 2HG2 THR 21 5.627 -0.047 -1.604
150 3HG2 THR 21 3HG2 THR 21 7.025 -1.110 -1.448
151 H HIS 22 H HIS 22 4.706 1.496 -2.483
152 HA HIS 22 HA HIS 22 5.527 2.634 -5.065
153 1HB HIS 22 2HB HIS 22 3.604 1.112 -5.904
154 2HB HIS 22 1HB HIS 22 5.119 0.364 -5.412
155 HD1 HIS 22 1HD HIS 22 4.682 -1.705 -4.177
156 HD2 HIS 22 2HD HIS 22 1.801 1.180 -3.339
157 HE1 HIS 22 1HE HIS 22 3.127 -2.764 -2.514
158 HE2 HIS 22 2HE HIS 22 1.535 -0.926 -1.872
159 H CYS 23 H CYS 23 2.979 2.629 -2.693
160 HA CYS 23 HA CYS 23 1.260 4.302 -4.312
161 1HB CYS 23 2HB CYS 23 1.055 2.789 -1.762
162 2HB CYS 23 1HB CYS 23 -0.022 4.152 -1.993
163 H PHE 24 H PHE 24 0.125 6.074 -2.781
164 HA PHE 24 HA PHE 24 2.013 7.503 -1.123
165 1HB PHE 24 2HB PHE 24 1.750 9.608 -2.523
166 2HB PHE 24 1HB PHE 24 2.792 8.358 -3.194
167 HD1 PHE 24 1HD PHE 24 -0.433 10.069 -3.498
168 HD2 PHE 24 2HD PHE 24 2.183 7.170 -5.188
169 HE1 PHE 24 1HE PHE 24 -1.763 10.082 -5.568
170 HE2 PHE 24 2HE PHE 24 0.859 7.178 -7.262
171 HZ PHE 24 HZ PHE 24 -1.116 8.636 -7.453
172 H LYS 25 H LYS 25 -0.554 6.309 -0.708
173 HA LYS 25 HA LYS 25 -2.533 6.735 0.326
174 1HB LYS 25 2HB LYS 25 -1.147 9.372 0.804
175 2HB LYS 25 1HB LYS 25 -2.724 8.988 1.477
176 1HG LYS 25 2HG LYS 25 -1.734 7.055 2.635
177 2HG LYS 25 1HG LYS 25 -0.151 7.516 2.004
178 1HD LYS 25 2HD LYS 25 0.019 9.338 3.379
179 2HD LYS 25 1HD LYS 25 -1.728 9.565 3.472
180 1HE LYS 25 2HE LYS 25 -1.459 8.715 5.543
181 2HE LYS 25 1HE LYS 25 -1.496 7.174 4.688
182 1HZ LYS 25 1HZ LYS 25 0.964 8.675 5.405
183 2HZ LYS 25 2HZ LYS 25 0.908 7.172 4.633
184 3HZ LYS 25 3HZ LYS 25 0.370 7.323 6.229
Start of MODEL 8
1 1H ALA 1 1HT ALA 1 -0.439 4.237 4.334
2 2H ALA 1 2HT ALA 1 -1.265 4.824 5.719
3 3H ALA 1 3HT ALA 1 -2.083 4.706 4.216
4 HA ALA 1 HA ALA 1 -0.920 2.388 5.580
5 1HB ALA 1 1HB ALA 1 -2.422 2.944 7.204
6 2HB ALA 1 2HB ALA 1 -3.487 2.054 6.115
7 3HB ALA 1 3HB ALA 1 -3.473 3.818 6.090
8 H VAL 2 H VAL 2 -2.712 0.562 5.027
9 HA VAL 2 HA VAL 2 -2.792 0.521 2.098
10 HB VAL 2 HB VAL 2 -1.625 -1.346 3.179
11 1HG1 VAL 2 1HG1 VAL 2 -4.300 -1.947 4.436
12 2HG1 VAL 2 2HG1 VAL 2 -2.841 -1.421 5.277
13 3HG1 VAL 2 3HG1 VAL 2 -2.886 -2.999 4.491
14 1HG2 VAL 2 1HG2 VAL 2 -3.582 -3.092 2.261
15 2HG2 VAL 2 2HG2 VAL 2 -2.274 -2.380 1.317
16 3HG2 VAL 2 3HG2 VAL 2 -3.857 -1.605 1.354
17 H TYR 3 H TYR 3 -4.829 0.405 4.928
18 HA TYR 3 HA TYR 3 -7.185 -0.605 3.849
19 1HB TYR 3 2HB TYR 3 -6.552 1.260 6.095
20 2HB TYR 3 1HB TYR 3 -8.230 1.090 5.592
21 HD1 TYR 3 1HD TYR 3 -5.446 -0.458 7.321
22 HD2 TYR 3 2HD TYR 3 -9.344 -1.127 5.753
23 HE1 TYR 3 1HE TYR 3 -5.634 -2.501 8.676
24 HE2 TYR 3 2HE TYR 3 -9.544 -3.171 7.105
25 HH TYR 3 HH TYR 3 -7.449 -4.863 8.203
26 H TYR 4 H TYR 4 -5.731 2.558 3.564
27 HA TYR 4 HA TYR 4 -8.069 3.678 2.251
28 1HB TYR 4 2HB TYR 4 -5.336 4.850 2.812
29 2HB TYR 4 1HB TYR 4 -6.671 5.730 2.077
30 HD1 TYR 4 1HD TYR 4 -4.968 5.617 4.954
31 HD2 TYR 4 2HD TYR 4 -8.977 5.097 3.628
32 HE1 TYR 4 1HE TYR 4 -5.781 6.235 7.190
33 HE2 TYR 4 2HE TYR 4 -9.802 5.715 5.861
34 HH TYR 4 HH TYR 4 -9.081 6.909 7.825
35 H CYS 5 H CYS 5 -5.055 2.189 1.431
36 HA CYS 5 HA CYS 5 -4.549 3.185 -1.101
37 1HB CYS 5 2HB CYS 5 -2.995 1.693 0.001
38 2HB CYS 5 1HB CYS 5 -4.168 0.383 -0.029
39 H ILE 6 H ILE 6 -5.872 3.337 -2.781
40 HA ILE 6 HA ILE 6 -8.020 1.377 -3.113
41 HB ILE 6 HB ILE 6 -8.961 2.939 -4.755
42 1HG1 ILE 6 2HG1 ILE 6 -7.578 5.319 -4.328
43 2HG1 ILE 6 1HG1 ILE 6 -6.307 4.119 -4.545
44 1HG2 ILE 6 1HG2 ILE 6 -9.008 4.966 -2.975
45 2HG2 ILE 6 2HG2 ILE 6 -8.425 3.653 -1.952
46 3HG2 ILE 6 3HG2 ILE 6 -9.956 3.488 -2.812
47 1HD1 ILE 6 1HD1 ILE 6 -7.269 5.395 -6.589
48 2HD1 ILE 6 2HD1 ILE 6 -8.576 4.218 -6.472
49 3HD1 ILE 6 3HD1 ILE 6 -6.917 3.672 -6.712
50 H LEU 7 H LEU 7 -5.323 0.597 -3.707
51 HA LEU 7 HA LEU 7 -5.303 0.459 -6.635
52 1HB LEU 7 2HB LEU 7 -3.278 1.042 -4.975
53 2HB LEU 7 1HB LEU 7 -3.090 -0.700 -5.039
54 HG LEU 7 HG LEU 7 -3.373 0.672 -7.646
55 1HD1 LEU 7 1HD1 LEU 7 -0.853 0.888 -6.006
56 2HD1 LEU 7 2HD1 LEU 7 -1.926 2.224 -6.423
57 3HD1 LEU 7 3HD1 LEU 7 -1.048 1.372 -7.692
58 1HD2 LEU 7 1HD2 LEU 7 -1.413 -1.403 -6.689
59 2HD2 LEU 7 2HD2 LEU 7 -1.829 -0.997 -8.354
60 3HD2 LEU 7 3HD2 LEU 7 -3.017 -1.785 -7.316
61 HA PRO 8 HA PRO 8 -6.769 -3.722 -6.500
62 1HB PRO 8 2HB PRO 8 -5.939 -4.563 -8.941
63 2HB PRO 8 1HB PRO 8 -7.305 -3.463 -8.721
64 1HG PRO 8 2HG PRO 8 -4.472 -2.840 -9.461
65 2HG PRO 8 1HG PRO 8 -5.975 -2.186 -10.138
66 1HD PRO 8 2HD PRO 8 -4.490 -0.840 -8.317
67 2HD PRO 8 1HD PRO 8 -6.258 -0.696 -8.402
68 H LYS 9 H LYS 9 -5.466 -4.612 -4.876
69 HA LYS 9 HA LYS 9 -3.904 -6.002 -3.983
70 1HB LYS 9 2HB LYS 9 -4.043 -6.847 -6.833
71 2HB LYS 9 1HB LYS 9 -2.697 -7.451 -5.877
72 1HG LYS 9 2HG LYS 9 -4.589 -8.068 -4.172
73 2HG LYS 9 1HG LYS 9 -5.610 -7.994 -5.609
74 1HD LYS 9 2HD LYS 9 -3.536 -9.458 -6.545
75 2HD LYS 9 1HD LYS 9 -3.539 -9.948 -4.850
76 1HE LYS 9 2HE LYS 9 -4.947 -11.474 -5.979
77 2HE LYS 9 1HE LYS 9 -6.014 -10.376 -5.106
78 1HZ LYS 9 1HZ LYS 9 -5.349 -9.626 -7.837
79 2HZ LYS 9 2HZ LYS 9 -6.817 -9.503 -7.006
80 3HZ LYS 9 3HZ LYS 9 -6.339 -10.986 -7.660
81 H CYS 10 H CYS 10 -2.815 -3.843 -3.631
82 HA CYS 10 HA CYS 10 -0.701 -2.937 -5.220
83 1HB CYS 10 2HB CYS 10 -1.912 -2.082 -2.914
84 2HB CYS 10 1HB CYS 10 -0.325 -2.570 -2.327
85 H ALA 11 H ALA 11 -0.295 -4.548 -2.065
86 HA ALA 11 HA ALA 11 2.214 -5.700 -3.080
87 1HB ALA 11 1HB ALA 11 1.306 -5.155 -0.258
88 2HB ALA 11 2HB ALA 11 2.556 -4.298 -1.162
89 3HB ALA 11 3HB ALA 11 2.807 -5.977 -0.683
90 H ALA 12 H ALA 12 -0.890 -6.465 -1.690
91 HA ALA 12 HA ALA 12 -2.015 -8.424 -1.424
92 1HB ALA 12 1HB ALA 12 -1.802 -9.956 -3.079
93 2HB ALA 12 2HB ALA 12 -0.045 -10.020 -2.947
94 3HB ALA 12 3HB ALA 12 -0.817 -8.683 -3.799
95 H ALA 13 H ALA 13 -0.055 -7.682 0.516
96 HA ALA 13 HA ALA 13 0.386 -10.304 1.714
97 1HB ALA 13 1HB ALA 13 2.540 -8.434 0.902
98 2HB ALA 13 2HB ALA 13 2.524 -10.197 0.943
99 3HB ALA 13 3HB ALA 13 2.721 -9.282 2.438
100 H ALA 14 H ALA 14 -1.259 -7.764 2.111
101 HA ALA 14 HA ALA 14 -2.015 -6.459 3.819
102 1HB ALA 14 1HB ALA 14 -2.190 -8.902 4.684
103 2HB ALA 14 2HB ALA 14 -2.419 -7.562 5.809
104 3HB ALA 14 3HB ALA 14 -0.882 -8.424 5.765
105 H ASN 15 H ASN 15 0.791 -6.077 2.906
106 HA ASN 15 HA ASN 15 1.966 -4.958 5.359
107 1HB ASN 15 2HB ASN 15 4.037 -4.778 3.793
108 2HB ASN 15 1HB ASN 15 3.600 -6.350 4.451
109 1HD2 ASN 15 1HD2 ASN 15 4.949 -7.039 2.608
110 2HD2 ASN 15 2HD2 ASN 15 4.181 -7.255 1.075
111 H VAL 16 H VAL 16 2.172 -2.876 5.617
112 HA VAL 16 HA VAL 16 1.276 -1.104 3.464
113 HB VAL 16 HB VAL 16 1.151 -1.072 6.409
114 1HG1 VAL 16 1HG1 VAL 16 0.912 1.434 6.453
115 2HG1 VAL 16 2HG1 VAL 16 1.656 1.461 4.854
116 3HG1 VAL 16 3HG1 VAL 16 2.559 0.842 6.235
117 1HG2 VAL 16 1HG2 VAL 16 -0.557 0.007 4.179
118 2HG2 VAL 16 2HG2 VAL 16 -0.955 0.175 5.889
119 3HG2 VAL 16 3HG2 VAL 16 -0.844 -1.429 5.162
120 H ALA 17 H ALA 17 3.861 -1.407 5.894
121 HA ALA 17 HA ALA 17 5.390 0.793 5.287
122 1HB ALA 17 1HB ALA 17 6.170 -1.960 6.192
123 2HB ALA 17 2HB ALA 17 6.055 -0.477 7.139
124 3HB ALA 17 3HB ALA 17 7.363 -0.681 5.974
125 H ALA 18 H ALA 18 4.978 -2.123 3.441
126 HA ALA 18 HA ALA 18 7.176 -1.461 1.647
127 1HB ALA 18 1HB ALA 18 6.922 -3.789 2.260
128 2HB ALA 18 2HB ALA 18 6.611 -3.587 0.535
129 3HB ALA 18 3HB ALA 18 5.264 -3.794 1.655
130 H HIS 19 H HIS 19 3.731 -1.169 1.855
131 HA HIS 19 HA HIS 19 3.324 -0.807 -0.966
132 1HB HIS 19 2HB HIS 19 1.224 -1.290 -0.344
133 2HB HIS 19 1HB HIS 19 1.674 -1.169 1.349
134 HD2 HIS 19 2HD HIS 19 1.198 1.339 2.544
135 HE1 HIS 19 1HE HIS 19 -1.247 2.714 -0.621
136 HE2 HIS 19 2HE HIS 19 -0.346 3.237 1.689
137 H THR 20 H THR 20 3.296 1.357 1.869
138 HA THR 20 HA THR 20 2.720 3.752 0.699
139 HB THR 20 HB THR 20 3.031 3.609 3.072
140 HG1 THR 20 1HG THR 20 3.449 5.650 2.582
141 1HG2 THR 20 1HG2 THR 20 5.715 3.699 3.618
142 2HG2 THR 20 2HG2 THR 20 5.600 2.445 2.383
143 3HG2 THR 20 3HG2 THR 20 4.651 2.314 3.864
144 H THR 21 H THR 21 5.649 1.916 0.313
145 HA THR 21 HA THR 21 7.485 3.801 -0.471
146 HB THR 21 HB THR 21 7.824 1.309 -0.269
147 HG1 THR 21 1HG THR 21 8.818 2.569 -2.606
148 1HG2 THR 21 1HG2 THR 21 7.120 1.138 -3.167
149 2HG2 THR 21 2HG2 THR 21 5.933 0.779 -1.913
150 3HG2 THR 21 3HG2 THR 21 7.422 -0.160 -2.012
151 H HIS 22 H HIS 22 4.870 2.408 -2.383
152 HA HIS 22 HA HIS 22 5.562 4.178 -4.622
153 1HB HIS 22 2HB HIS 22 3.673 2.757 -5.748
154 2HB HIS 22 1HB HIS 22 5.279 2.069 -5.539
155 HD1 HIS 22 1HD HIS 22 5.269 -0.204 -4.614
156 HD2 HIS 22 2HD HIS 22 1.923 1.948 -3.380
157 HE1 HIS 22 1HE HIS 22 3.916 -1.800 -3.226
158 HE2 HIS 22 2HE HIS 22 1.997 -0.424 -2.357
159 H CYS 23 H CYS 23 2.986 3.372 -2.394
160 HA CYS 23 HA CYS 23 1.162 5.281 -3.549
161 1HB CYS 23 2HB CYS 23 1.103 3.218 -1.414
162 2HB CYS 23 1HB CYS 23 -0.057 4.527 -1.310
163 H PHE 24 H PHE 24 0.809 7.309 -2.858
164 HA PHE 24 HA PHE 24 2.374 8.249 -0.555
165 1HB PHE 24 2HB PHE 24 2.032 10.518 -1.538
166 2HB PHE 24 1HB PHE 24 2.911 9.420 -2.596
167 HD1 PHE 24 1HD PHE 24 1.960 8.655 -4.664
168 HD2 PHE 24 2HD PHE 24 -0.248 11.192 -2.055
169 HE1 PHE 24 1HE PHE 24 0.343 9.096 -6.465
170 HE2 PHE 24 2HE PHE 24 -1.869 11.636 -3.852
171 HZ PHE 24 HZ PHE 24 -1.575 10.586 -6.061
172 H LYS 25 H LYS 25 -0.149 6.861 -0.267
173 HA LYS 25 HA LYS 25 -2.076 6.998 0.935
174 1HB LYS 25 2HB LYS 25 -0.491 9.321 1.922
175 2HB LYS 25 1HB LYS 25 -2.187 9.232 2.375
176 1HG LYS 25 2HG LYS 25 -1.770 6.954 3.271
177 2HG LYS 25 1HG LYS 25 -0.053 7.185 2.934
178 1HD LYS 25 2HD LYS 25 -0.340 9.354 4.341
179 2HD LYS 25 1HD LYS 25 -1.792 8.555 4.948
180 1HE LYS 25 2HE LYS 25 -0.071 8.010 6.468
181 2HE LYS 25 1HE LYS 25 -0.315 6.571 5.480
182 1HZ LYS 25 1HZ LYS 25 2.006 6.925 5.675
183 2HZ LYS 25 2HZ LYS 25 1.874 8.558 5.253
184 3HZ LYS 25 3HZ LYS 25 1.583 7.360 4.094
Start of MODEL 9
1 1H ALA 1 1HT ALA 1 -0.341 4.444 4.279
2 2H ALA 1 2HT ALA 1 -0.969 5.239 5.665
3 3H ALA 1 3HT ALA 1 -1.942 5.056 4.263
4 HA ALA 1 HA ALA 1 -0.894 2.861 5.914
5 1HB ALA 1 1HB ALA 1 -2.479 3.628 7.333
6 2HB ALA 1 2HB ALA 1 -3.549 2.744 6.245
7 3HB ALA 1 3HB ALA 1 -3.354 4.488 6.067
8 H VAL 2 H VAL 2 -2.775 1.053 5.527
9 HA VAL 2 HA VAL 2 -2.714 0.593 2.624
10 HB VAL 2 HB VAL 2 -1.545 -1.093 3.982
11 1HG1 VAL 2 1HG1 VAL 2 -2.915 -0.897 6.011
12 2HG1 VAL 2 2HG1 VAL 2 -2.764 -2.569 5.475
13 3HG1 VAL 2 3HG1 VAL 2 -4.254 -1.677 5.171
14 1HG2 VAL 2 1HG2 VAL 2 -2.892 -1.590 1.834
15 2HG2 VAL 2 2HG2 VAL 2 -4.011 -2.417 2.917
16 3HG2 VAL 2 3HG2 VAL 2 -2.330 -2.943 2.817
17 H TYR 3 H TYR 3 -4.802 0.686 5.438
18 HA TYR 3 HA TYR 3 -7.117 -0.422 4.320
19 1HB TYR 3 2HB TYR 3 -6.407 0.737 6.758
20 2HB TYR 3 1HB TYR 3 -7.701 1.763 6.146
21 HD1 TYR 3 1HD TYR 3 -6.926 -1.238 7.869
22 HD2 TYR 3 2HD TYR 3 -9.853 0.547 5.349
23 HE1 TYR 3 1HE TYR 3 -8.581 -2.885 8.636
24 HE2 TYR 3 2HE TYR 3 -11.517 -1.094 6.110
25 HH TYR 3 HH TYR 3 -10.961 -3.173 8.786
26 H TYR 4 H TYR 4 -5.694 2.750 4.036
27 HA TYR 4 HA TYR 4 -8.029 3.890 2.761
28 1HB TYR 4 2HB TYR 4 -5.360 4.887 3.623
29 2HB TYR 4 1HB TYR 4 -6.166 5.752 2.319
30 HD1 TYR 4 1HD TYR 4 -5.861 5.409 5.829
31 HD2 TYR 4 2HD TYR 4 -8.625 6.474 2.776
32 HE1 TYR 4 1HE TYR 4 -7.211 6.627 7.485
33 HE2 TYR 4 2HE TYR 4 -9.983 7.696 4.423
34 HH TYR 4 HH TYR 4 -10.335 7.580 6.968
35 H CYS 5 H CYS 5 -5.088 2.310 1.836
36 HA CYS 5 HA CYS 5 -4.680 3.246 -0.735
37 1HB CYS 5 2HB CYS 5 -3.096 1.745 0.280
38 2HB CYS 5 1HB CYS 5 -4.302 0.470 0.400
39 H ILE 6 H ILE 6 -5.657 2.995 -2.659
40 HA ILE 6 HA ILE 6 -8.179 1.511 -2.702
41 HB ILE 6 HB ILE 6 -8.522 2.710 -4.897
42 1HG1 ILE 6 2HG1 ILE 6 -6.205 4.408 -3.960
43 2HG1 ILE 6 1HG1 ILE 6 -6.057 3.178 -5.210
44 1HG2 ILE 6 1HG2 ILE 6 -9.161 4.801 -3.844
45 2HG2 ILE 6 2HG2 ILE 6 -8.122 4.445 -2.464
46 3HG2 ILE 6 3HG2 ILE 6 -9.537 3.442 -2.785
47 1HD1 ILE 6 1HD1 ILE 6 -6.622 4.715 -6.691
48 2HD1 ILE 6 2HD1 ILE 6 -6.972 5.880 -5.416
49 3HD1 ILE 6 3HD1 ILE 6 -8.227 4.769 -5.965
50 H LEU 7 H LEU 7 -5.059 1.694 -4.314
51 HA LEU 7 HA LEU 7 -5.510 0.038 -6.493
52 1HB LEU 7 2HB LEU 7 -3.397 1.384 -5.675
53 2HB LEU 7 1HB LEU 7 -2.938 -0.165 -4.997
54 HG LEU 7 HG LEU 7 -3.522 0.354 -7.913
55 1HD1 LEU 7 1HD1 LEU 7 -0.843 -0.458 -6.969
56 2HD1 LEU 7 2HD1 LEU 7 -1.334 1.203 -6.634
57 3HD1 LEU 7 3HD1 LEU 7 -1.308 0.609 -8.295
58 1HD2 LEU 7 1HD2 LEU 7 -2.546 -2.108 -6.475
59 2HD2 LEU 7 2HD2 LEU 7 -2.592 -1.911 -8.227
60 3HD2 LEU 7 3HD2 LEU 7 -4.092 -1.912 -7.299
61 HA PRO 8 HA PRO 8 -6.157 -3.747 -4.105
62 1HB PRO 8 2HB PRO 8 -7.733 -4.994 -5.851
63 2HB PRO 8 1HB PRO 8 -8.326 -3.612 -4.922
64 1HG PRO 8 2HG PRO 8 -7.430 -3.740 -7.767
65 2HG PRO 8 1HG PRO 8 -8.766 -2.821 -7.051
66 1HD PRO 8 2HD PRO 8 -6.235 -1.811 -7.663
67 2HD PRO 8 1HD PRO 8 -7.417 -1.052 -6.579
68 H LYS 9 H LYS 9 -3.690 -3.384 -5.462
69 HA LYS 9 HA LYS 9 -2.830 -5.995 -5.828
70 1HB LYS 9 2HB LYS 9 -4.297 -5.250 -8.035
71 2HB LYS 9 1HB LYS 9 -2.652 -4.890 -8.541
72 1HG LYS 9 2HG LYS 9 -2.056 -7.238 -7.813
73 2HG LYS 9 1HG LYS 9 -3.791 -7.532 -7.680
74 1HD LYS 9 2HD LYS 9 -3.895 -6.624 -10.098
75 2HD LYS 9 1HD LYS 9 -2.157 -6.929 -10.121
76 1HE LYS 9 2HE LYS 9 -3.058 -9.266 -9.107
77 2HE LYS 9 1HE LYS 9 -4.418 -8.818 -10.136
78 1HZ LYS 9 1HZ LYS 9 -1.689 -8.673 -11.217
79 2HZ LYS 9 2HZ LYS 9 -3.149 -8.949 -12.025
80 3HZ LYS 9 3HZ LYS 9 -2.450 -10.180 -11.100
81 H CYS 10 H CYS 10 -1.935 -3.646 -4.579
82 HA CYS 10 HA CYS 10 0.410 -2.836 -6.137
83 1HB CYS 10 2HB CYS 10 0.625 -0.981 -4.637
84 2HB CYS 10 1HB CYS 10 -1.069 -1.092 -5.094
85 H ALA 11 H ALA 11 -0.515 -4.284 -3.053
86 HA ALA 11 HA ALA 11 2.309 -4.892 -2.513
87 1HB ALA 11 1HB ALA 11 0.094 -5.318 -0.543
88 2HB ALA 11 2HB ALA 11 0.772 -3.711 -0.806
89 3HB ALA 11 3HB ALA 11 1.808 -5.026 -0.248
90 H ALA 12 H ALA 12 2.069 -7.050 -0.856
91 HA ALA 12 HA ALA 12 0.993 -9.122 -2.655
92 1HB ALA 12 1HB ALA 12 2.743 -10.609 -1.672
93 2HB ALA 12 2HB ALA 12 3.405 -9.195 -0.854
94 3HB ALA 12 3HB ALA 12 3.376 -9.261 -2.615
95 H ALA 13 H ALA 13 1.858 -8.648 0.776
96 HA ALA 13 HA ALA 13 -0.397 -10.390 1.501
97 1HB ALA 13 1HB ALA 13 2.172 -9.725 2.901
98 2HB ALA 13 2HB ALA 13 1.548 -11.303 2.422
99 3HB ALA 13 3HB ALA 13 0.805 -10.431 3.762
100 H ALA 14 H ALA 14 -0.670 -7.575 0.772
101 HA ALA 14 HA ALA 14 -1.782 -5.711 1.454
102 1HB ALA 14 1HB ALA 14 -3.653 -6.103 2.649
103 2HB ALA 14 2HB ALA 14 -2.782 -6.913 3.951
104 3HB ALA 14 3HB ALA 14 -3.166 -7.788 2.468
105 H ASN 15 H ASN 15 0.857 -5.662 2.089
106 HA ASN 15 HA ASN 15 1.245 -5.027 4.872
107 1HB ASN 15 2HB ASN 15 3.538 -4.334 4.069
108 2HB ASN 15 1HB ASN 15 3.109 -6.010 3.745
109 1HD2 ASN 15 1HD2 ASN 15 3.705 -6.671 1.826
110 2HD2 ASN 15 2HD2 ASN 15 3.789 -5.713 0.391
111 H VAL 16 H VAL 16 1.726 -3.033 5.744
112 HA VAL 16 HA VAL 16 0.567 -0.787 4.270
113 HB VAL 16 HB VAL 16 -0.103 -1.619 6.675
114 1HG1 VAL 16 1HG1 VAL 16 0.963 -0.356 8.465
115 2HG1 VAL 16 2HG1 VAL 16 2.124 0.308 7.318
116 3HG1 VAL 16 3HG1 VAL 16 2.117 -1.421 7.663
117 1HG2 VAL 16 1HG2 VAL 16 -1.383 0.208 6.660
118 2HG2 VAL 16 2HG2 VAL 16 -0.510 0.676 5.202
119 3HG2 VAL 16 3HG2 VAL 16 0.010 1.284 6.774
120 H ALA 17 H ALA 17 3.405 -1.639 6.206
121 HA ALA 17 HA ALA 17 4.725 0.857 5.821
122 1HB ALA 17 1HB ALA 17 5.976 -1.775 6.587
123 2HB ALA 17 2HB ALA 17 5.157 -0.698 7.719
124 3HB ALA 17 3HB ALA 17 6.614 -0.158 6.885
125 H ALA 18 H ALA 18 4.502 -2.074 3.985
126 HA ALA 18 HA ALA 18 6.712 -1.235 2.250
127 1HB ALA 18 1HB ALA 18 5.437 -3.832 2.867
128 2HB ALA 18 2HB ALA 18 7.134 -3.432 2.600
129 3HB ALA 18 3HB ALA 18 6.043 -3.606 1.226
130 H HIS 19 H HIS 19 3.531 -0.598 2.431
131 HA HIS 19 HA HIS 19 2.877 -1.046 -0.359
132 1HB HIS 19 2HB HIS 19 0.820 -1.201 0.519
133 2HB HIS 19 1HB HIS 19 1.389 -0.599 2.070
134 HD2 HIS 19 2HD HIS 19 1.066 2.151 2.491
135 HE1 HIS 19 1HE HIS 19 -1.360 2.729 -0.924
136 HE2 HIS 19 2HE HIS 19 -0.369 3.829 1.131
137 H THR 20 H THR 20 3.136 1.779 1.813
138 HA THR 20 HA THR 20 2.705 3.812 0.042
139 HB THR 20 HB THR 20 3.044 4.334 2.339
140 HG1 THR 20 1HG THR 20 3.797 6.145 1.631
141 1HG2 THR 20 1HG2 THR 20 5.847 4.157 2.696
142 2HG2 THR 20 2HG2 THR 20 5.251 2.575 2.193
143 3HG2 THR 20 3HG2 THR 20 4.562 3.366 3.611
144 H THR 21 H THR 21 5.469 1.711 0.164
145 HA THR 21 HA THR 21 7.431 3.160 -1.104
146 HB THR 21 HB THR 21 7.606 0.817 -0.217
147 HG1 THR 21 1HG THR 21 8.610 1.451 -2.778
148 1HG2 THR 21 1HG2 THR 21 6.742 -0.113 -2.923
149 2HG2 THR 21 2HG2 THR 21 5.613 -0.022 -1.571
150 3HG2 THR 21 3HG2 THR 21 7.036 -1.058 -1.463
151 H HIS 22 H HIS 22 4.682 1.491 -2.558
152 HA HIS 22 HA HIS 22 5.456 2.537 -5.193
153 1HB HIS 22 2HB HIS 22 3.520 0.969 -5.936
154 2HB HIS 22 1HB HIS 22 5.058 0.258 -5.462
155 HD1 HIS 22 1HD HIS 22 4.720 -1.751 -4.104
156 HD2 HIS 22 2HD HIS 22 1.754 1.079 -3.367
157 HE1 HIS 22 1HE HIS 22 3.221 -2.777 -2.370
158 HE2 HIS 22 2HE HIS 22 1.569 -0.967 -1.804
159 H CYS 23 H CYS 23 2.916 2.569 -2.804
160 HA CYS 23 HA CYS 23 1.166 4.172 -4.451
161 1HB CYS 23 2HB CYS 23 1.022 2.770 -1.834
162 2HB CYS 23 1HB CYS 23 -0.073 4.112 -2.104
163 H PHE 24 H PHE 24 0.038 5.989 -2.950
164 HA PHE 24 HA PHE 24 2.061 7.545 -1.540
165 1HB PHE 24 2HB PHE 24 1.349 9.595 -2.885
166 2HB PHE 24 1HB PHE 24 2.387 8.435 -3.706
167 HD1 PHE 24 1HD PHE 24 -1.160 9.446 -3.306
168 HD2 PHE 24 2HD PHE 24 1.741 7.502 -5.736
169 HE1 PHE 24 1HE PHE 24 -2.807 9.271 -5.126
170 HE2 PHE 24 2HE PHE 24 0.101 7.324 -7.561
171 HZ PHE 24 HZ PHE 24 -2.178 8.209 -7.256
172 H LYS 25 H LYS 25 -0.350 6.141 -0.745
173 HA LYS 25 HA LYS 25 -2.148 6.428 0.618
174 1HB LYS 25 2HB LYS 25 -0.372 8.015 1.669
175 2HB LYS 25 1HB LYS 25 -1.376 9.300 1.011
176 1HG LYS 25 2HG LYS 25 -3.306 8.339 2.258
177 2HG LYS 25 1HG LYS 25 -2.183 7.207 3.015
178 1HD LYS 25 2HD LYS 25 -1.503 10.094 3.118
179 2HD LYS 25 1HD LYS 25 -2.831 9.531 4.135
180 1HE LYS 25 2HE LYS 25 -1.112 9.176 5.580
181 2HE LYS 25 1HE LYS 25 -1.066 7.637 4.722
182 1HZ LYS 25 1HZ LYS 25 0.548 8.985 3.175
183 2HZ LYS 25 2HZ LYS 25 1.109 8.243 4.587
184 3HZ LYS 25 3HZ LYS 25 0.783 9.902 4.577
Start of MODEL 10
1 1H ALA 1 1HT ALA 1 -2.630 4.357 5.176
2 2H ALA 1 2HT ALA 1 -1.780 4.870 6.575
3 3H ALA 1 3HT ALA 1 -3.279 4.050 6.732
4 HA ALA 1 HA ALA 1 -0.768 2.952 5.665
5 1HB ALA 1 1HB ALA 1 -0.512 3.070 7.981
6 2HB ALA 1 2HB ALA 1 -1.099 1.431 7.701
7 3HB ALA 1 3HB ALA 1 -2.204 2.676 8.282
8 H VAL 2 H VAL 2 -1.460 1.895 3.880
9 HA VAL 2 HA VAL 2 -2.682 0.519 2.522
10 HB VAL 2 HB VAL 2 -1.365 -1.072 3.883
11 1HG1 VAL 2 1HG1 VAL 2 -2.620 -2.367 5.641
12 2HG1 VAL 2 2HG1 VAL 2 -3.836 -1.089 5.600
13 3HG1 VAL 2 3HG1 VAL 2 -2.180 -0.716 6.080
14 1HG2 VAL 2 1HG2 VAL 2 -3.925 -2.499 3.511
15 2HG2 VAL 2 2HG2 VAL 2 -2.316 -2.866 2.888
16 3HG2 VAL 2 3HG2 VAL 2 -3.300 -1.624 2.113
17 H TYR 3 H TYR 3 -4.276 2.475 3.970
18 HA TYR 3 HA TYR 3 -6.819 1.007 4.209
19 1HB TYR 3 2HB TYR 3 -5.677 3.312 5.681
20 2HB TYR 3 1HB TYR 3 -7.397 3.404 5.313
21 HD1 TYR 3 1HD TYR 3 -5.273 2.616 7.834
22 HD2 TYR 3 2HD TYR 3 -8.515 0.869 5.702
23 HE1 TYR 3 1HE TYR 3 -5.757 1.172 9.764
24 HE2 TYR 3 2HE TYR 3 -9.008 -0.580 7.627
25 HH TYR 3 HH TYR 3 -8.631 -0.610 10.054
26 H TYR 4 H TYR 4 -5.335 3.990 2.997
27 HA TYR 4 HA TYR 4 -7.683 4.508 1.339
28 1HB TYR 4 2HB TYR 4 -5.188 6.152 1.807
29 2HB TYR 4 1HB TYR 4 -6.552 6.652 0.813
30 HD1 TYR 4 1HD TYR 4 -5.117 7.392 3.748
31 HD2 TYR 4 2HD TYR 4 -8.891 6.047 2.316
32 HE1 TYR 4 1HE TYR 4 -6.204 8.348 5.735
33 HE2 TYR 4 2HE TYR 4 -9.989 7.000 4.299
34 HH TYR 4 HH TYR 4 -9.586 8.706 5.988
35 H CYS 5 H CYS 5 -5.434 2.392 0.961
36 HA CYS 5 HA CYS 5 -4.034 3.047 -1.393
37 1HB CYS 5 2HB CYS 5 -3.324 1.209 0.029
38 2HB CYS 5 1HB CYS 5 -4.833 0.355 -0.268
39 H ILE 6 H ILE 6 -6.814 0.842 -1.023
40 HA ILE 6 HA ILE 6 -8.316 0.060 -2.569
41 HB ILE 6 HB ILE 6 -9.674 1.810 -3.612
42 1HG1 ILE 6 2HG1 ILE 6 -7.698 3.797 -2.482
43 2HG1 ILE 6 1HG1 ILE 6 -7.695 3.289 -4.168
44 1HG2 ILE 6 1HG2 ILE 6 -10.610 2.538 -1.654
45 2HG2 ILE 6 2HG2 ILE 6 -9.050 2.894 -0.911
46 3HG2 ILE 6 3HG2 ILE 6 -9.601 1.224 -1.053
47 1HD1 ILE 6 1HD1 ILE 6 -9.629 4.413 -4.650
48 2HD1 ILE 6 2HD1 ILE 6 -8.920 5.469 -3.428
49 3HD1 ILE 6 3HD1 ILE 6 -10.210 4.350 -2.985
50 H LEU 7 H LEU 7 -5.561 0.113 -3.542
51 HA LEU 7 HA LEU 7 -5.906 0.726 -6.383
52 1HB LEU 7 2HB LEU 7 -3.870 1.453 -4.995
53 2HB LEU 7 1HB LEU 7 -3.374 -0.227 -5.075
54 HG LEU 7 HG LEU 7 -4.007 1.170 -7.629
55 1HD1 LEU 7 1HD1 LEU 7 -1.302 1.428 -6.356
56 2HD1 LEU 7 2HD1 LEU 7 -2.542 2.670 -6.178
57 3HD1 LEU 7 3HD1 LEU 7 -1.937 2.252 -7.781
58 1HD2 LEU 7 1HD2 LEU 7 -2.266 -0.295 -8.474
59 2HD2 LEU 7 2HD2 LEU 7 -3.466 -1.226 -7.576
60 3HD2 LEU 7 3HD2 LEU 7 -1.909 -0.847 -6.837
61 HA PRO 8 HA PRO 8 -6.768 -3.473 -7.504
62 1HB PRO 8 2HB PRO 8 -5.030 -2.877 -9.849
63 2HB PRO 8 1HB PRO 8 -6.673 -3.526 -9.802
64 1HG PRO 8 2HG PRO 8 -6.234 -0.995 -10.499
65 2HG PRO 8 1HG PRO 8 -7.632 -1.435 -9.501
66 1HD PRO 8 2HD PRO 8 -5.066 -0.135 -8.705
67 2HD PRO 8 1HD PRO 8 -6.710 0.138 -8.091
68 H LYS 9 H LYS 9 -5.500 -4.442 -5.846
69 HA LYS 9 HA LYS 9 -3.875 -5.819 -5.048
70 1HB LYS 9 2HB LYS 9 -4.263 -6.761 -7.445
71 2HB LYS 9 1HB LYS 9 -2.702 -6.035 -7.801
72 1HG LYS 9 2HG LYS 9 -1.575 -7.446 -6.320
73 2HG LYS 9 1HG LYS 9 -3.061 -7.904 -5.487
74 1HD LYS 9 2HD LYS 9 -2.532 -8.569 -8.374
75 2HD LYS 9 1HD LYS 9 -2.075 -9.637 -7.046
76 1HE LYS 9 2HE LYS 9 -4.214 -10.240 -6.617
77 2HE LYS 9 1HE LYS 9 -4.856 -8.650 -7.026
78 1HZ LYS 9 1HZ LYS 9 -4.267 -9.312 -9.416
79 2HZ LYS 9 2HZ LYS 9 -5.638 -10.007 -8.711
80 3HZ LYS 9 3HZ LYS 9 -4.204 -10.896 -8.824
81 H CYS 10 H CYS 10 -2.309 -5.030 -3.821
82 HA CYS 10 HA CYS 10 -0.234 -3.365 -5.087
83 1HB CYS 10 2HB CYS 10 -2.080 -2.516 -3.177
84 2HB CYS 10 1HB CYS 10 -0.604 -2.796 -2.259
85 H ALA 11 H ALA 11 -0.697 -4.738 -1.834
86 HA ALA 11 HA ALA 11 2.017 -5.829 -1.982
87 1HB ALA 11 1HB ALA 11 1.522 -6.235 0.536
88 2HB ALA 11 2HB ALA 11 0.193 -5.106 0.273
89 3HB ALA 11 3HB ALA 11 1.854 -4.599 -0.032
90 H ALA 12 H ALA 12 2.460 -7.988 -1.274
91 HA ALA 12 HA ALA 12 0.293 -9.832 -1.955
92 1HB ALA 12 1HB ALA 12 2.309 -11.493 -1.861
93 2HB ALA 12 2HB ALA 12 3.269 -10.018 -1.971
94 3HB ALA 12 3HB ALA 12 2.109 -10.411 -3.240
95 H ALA 13 H ALA 13 0.632 -8.434 0.692
96 HA ALA 13 HA ALA 13 -0.096 -10.623 2.343
97 1HB ALA 13 1HB ALA 13 2.562 -10.562 2.116
98 2HB ALA 13 2HB ALA 13 1.743 -11.045 3.601
99 3HB ALA 13 3HB ALA 13 2.370 -9.406 3.433
100 H ALA 14 H ALA 14 -1.048 -7.988 1.581
101 HA ALA 14 HA ALA 14 -1.984 -6.107 2.466
102 1HB ALA 14 1HB ALA 14 -3.214 -7.888 3.670
103 2HB ALA 14 2HB ALA 14 -3.097 -6.382 4.581
104 3HB ALA 14 3HB ALA 14 -2.058 -7.746 4.995
105 H ASN 15 H ASN 15 0.972 -6.400 2.661
106 HA ASN 15 HA ASN 15 1.717 -5.121 5.131
107 1HB ASN 15 2HB ASN 15 3.979 -4.980 4.008
108 2HB ASN 15 1HB ASN 15 3.334 -6.606 4.194
109 1HD2 ASN 15 1HD2 ASN 15 3.153 -7.849 2.452
110 2HD2 ASN 15 2HD2 ASN 15 3.382 -7.322 0.823
111 H VAL 16 H VAL 16 2.246 -3.050 5.482
112 HA VAL 16 HA VAL 16 1.396 -1.139 3.435
113 HB VAL 16 HB VAL 16 0.554 -1.277 5.921
114 1HG1 VAL 16 1HG1 VAL 16 2.750 -1.078 6.965
115 2HG1 VAL 16 2HG1 VAL 16 1.698 0.260 7.423
116 3HG1 VAL 16 3HG1 VAL 16 2.965 0.507 6.222
117 1HG2 VAL 16 1HG2 VAL 16 1.207 1.415 4.744
118 2HG2 VAL 16 2HG2 VAL 16 -0.156 0.988 5.777
119 3HG2 VAL 16 3HG2 VAL 16 -0.071 0.366 4.129
120 H ALA 17 H ALA 17 4.054 -1.775 5.683
121 HA ALA 17 HA ALA 17 5.697 0.374 5.182
122 1HB ALA 17 1HB ALA 17 7.555 -1.526 5.485
123 2HB ALA 17 2HB ALA 17 6.141 -2.417 6.047
124 3HB ALA 17 3HB ALA 17 6.593 -0.900 6.824
125 H ALA 18 H ALA 18 4.990 -2.325 3.115
126 HA ALA 18 HA ALA 18 7.111 -1.551 1.250
127 1HB ALA 18 1HB ALA 18 6.439 -4.007 2.037
128 2HB ALA 18 2HB ALA 18 7.091 -3.667 0.434
129 3HB ALA 18 3HB ALA 18 5.353 -3.858 0.656
130 H HIS 19 H HIS 19 3.705 -1.316 1.723
131 HA HIS 19 HA HIS 19 3.107 -0.891 -1.067
132 1HB HIS 19 2HB HIS 19 1.100 -1.568 -0.330
133 2HB HIS 19 1HB HIS 19 1.603 -1.389 1.343
134 HD2 HIS 19 2HD HIS 19 0.919 1.033 2.562
135 HE1 HIS 19 1HE HIS 19 -1.595 2.299 -0.592
136 HE2 HIS 19 2HE HIS 19 -0.745 2.838 1.731
137 H THR 20 H THR 20 2.997 1.145 1.867
138 HA THR 20 HA THR 20 2.300 3.549 0.795
139 HB THR 20 HB THR 20 2.633 3.273 3.172
140 HG1 THR 20 1HG THR 20 2.856 5.388 2.402
141 1HG2 THR 20 1HG2 THR 20 5.366 3.645 3.579
142 2HG2 THR 20 2HG2 THR 20 5.231 2.321 2.421
143 3HG2 THR 20 3HG2 THR 20 4.402 2.222 3.975
144 H THR 21 H THR 21 5.328 1.897 0.354
145 HA THR 21 HA THR 21 7.058 3.912 -0.345
146 HB THR 21 HB THR 21 7.544 1.443 -0.230
147 HG1 THR 21 1HG THR 21 9.216 1.613 -1.678
148 1HG2 THR 21 1HG2 THR 21 6.827 1.331 -3.130
149 2HG2 THR 21 2HG2 THR 21 5.687 0.841 -1.876
150 3HG2 THR 21 3HG2 THR 21 7.237 0.014 -2.032
151 H HIS 22 H HIS 22 4.532 2.446 -2.324
152 HA HIS 22 HA HIS 22 5.130 4.346 -4.484
153 1HB HIS 22 2HB HIS 22 3.393 2.844 -5.717
154 2HB HIS 22 1HB HIS 22 5.026 2.240 -5.465
155 HD1 HIS 22 1HD HIS 22 5.064 -0.087 -4.699
156 HD2 HIS 22 2HD HIS 22 1.647 1.887 -3.361
157 HE1 HIS 22 1HE HIS 22 3.762 -1.796 -3.399
158 HE2 HIS 22 2HE HIS 22 1.808 -0.525 -2.451
159 H CYS 23 H CYS 23 2.607 3.283 -2.308
160 HA CYS 23 HA CYS 23 0.647 5.070 -3.437
161 1HB CYS 23 2HB CYS 23 0.733 2.948 -1.366
162 2HB CYS 23 1HB CYS 23 -0.519 4.167 -1.218
163 H PHE 24 H PHE 24 -0.079 6.956 -2.555
164 HA PHE 24 HA PHE 24 1.457 8.005 -0.273
165 1HB PHE 24 2HB PHE 24 0.712 10.269 -1.232
166 2HB PHE 24 1HB PHE 24 1.948 9.381 -2.115
167 HD1 PHE 24 1HD PHE 24 -1.780 9.589 -1.999
168 HD2 PHE 24 2HD PHE 24 1.730 9.330 -4.391
169 HE1 PHE 24 1HE PHE 24 -3.161 9.701 -4.032
170 HE2 PHE 24 2HE PHE 24 0.355 9.442 -6.428
171 HZ PHE 24 HZ PHE 24 -2.094 9.628 -6.250
172 H LYS 25 H LYS 25 -0.940 6.370 -0.075
173 HA LYS 25 HA LYS 25 -2.874 6.282 1.118
174 1HB LYS 25 2HB LYS 25 -1.939 8.960 2.165
175 2HB LYS 25 1HB LYS 25 -3.218 7.980 2.870
176 1HG LYS 25 2HG LYS 25 -1.735 6.375 3.647
177 2HG LYS 25 1HG LYS 25 -0.460 6.873 2.532
178 1HD LYS 25 2HD LYS 25 0.268 8.516 3.898
179 2HD LYS 25 1HD LYS 25 -1.363 8.942 4.422
180 1HE LYS 25 2HE LYS 25 -0.582 8.060 6.370
181 2HE LYS 25 1HE LYS 25 -1.185 6.582 5.620
182 1HZ LYS 25 1HZ LYS 25 1.008 6.213 6.483
183 2HZ LYS 25 2HZ LYS 25 1.628 7.537 5.631
184 3HZ LYS 25 3HZ LYS 25 1.080 6.173 4.793
Start of MODEL 11
1 1H ALA 1 1HT ALA 1 -0.137 4.388 4.683
2 2H ALA 1 2HT ALA 1 -0.670 4.941 6.217
3 3H ALA 1 3HT ALA 1 -1.751 4.926 4.885
4 HA ALA 1 HA ALA 1 -0.491 2.543 6.055
5 1HB ALA 1 1HB ALA 1 -2.273 2.238 7.433
6 2HB ALA 1 2HB ALA 1 -3.385 3.099 6.370
7 3HB ALA 1 3HB ALA 1 -2.266 4.001 7.391
8 H VAL 2 H VAL 2 -2.593 0.863 5.632
9 HA VAL 2 HA VAL 2 -2.647 0.720 2.704
10 HB VAL 2 HB VAL 2 -1.705 -1.224 3.878
11 1HG1 VAL 2 1HG1 VAL 2 -4.458 -1.462 5.085
12 2HG1 VAL 2 2HG1 VAL 2 -2.950 -1.140 5.941
13 3HG1 VAL 2 3HG1 VAL 2 -3.208 -2.704 5.168
14 1HG2 VAL 2 1HG2 VAL 2 -3.277 -1.269 1.735
15 2HG2 VAL 2 2HG2 VAL 2 -4.258 -2.277 2.799
16 3HG2 VAL 2 3HG2 VAL 2 -2.595 -2.738 2.433
17 H TYR 3 H TYR 3 -4.683 1.119 5.471
18 HA TYR 3 HA TYR 3 -7.141 0.250 4.498
19 1HB TYR 3 2HB TYR 3 -6.252 1.527 6.784
20 2HB TYR 3 1HB TYR 3 -7.323 2.719 6.054
21 HD1 TYR 3 1HD TYR 3 -7.115 -0.597 7.593
22 HD2 TYR 3 2HD TYR 3 -9.705 2.292 5.847
23 HE1 TYR 3 1HE TYR 3 -9.058 -1.799 8.502
24 HE2 TYR 3 2HE TYR 3 -11.656 1.099 6.752
25 HH TYR 3 HH TYR 3 -11.434 -2.039 8.089
26 H TYR 4 H TYR 4 -5.322 3.144 3.800
27 HA TYR 4 HA TYR 4 -7.544 4.219 2.216
28 1HB TYR 4 2HB TYR 4 -5.061 5.404 3.396
29 2HB TYR 4 1HB TYR 4 -5.798 6.176 1.995
30 HD1 TYR 4 1HD TYR 4 -5.823 5.915 5.531
31 HD2 TYR 4 2HD TYR 4 -8.326 6.737 2.190
32 HE1 TYR 4 1HE TYR 4 -7.415 7.063 7.013
33 HE2 TYR 4 2HE TYR 4 -9.925 7.887 3.664
34 HH TYR 4 HH TYR 4 -9.177 8.699 6.910
35 H CYS 5 H CYS 5 -5.883 1.885 1.445
36 HA CYS 5 HA CYS 5 -4.326 2.867 -0.806
37 1HB CYS 5 2HB CYS 5 -3.333 1.053 0.409
38 2HB CYS 5 1HB CYS 5 -4.808 0.101 0.311
39 H ILE 6 H ILE 6 -5.338 3.355 -2.632
40 HA ILE 6 HA ILE 6 -7.848 2.013 -3.306
41 HB ILE 6 HB ILE 6 -8.107 3.745 -5.028
42 1HG1 ILE 6 2HG1 ILE 6 -6.217 5.680 -4.323
43 2HG1 ILE 6 1HG1 ILE 6 -5.297 4.183 -4.432
44 1HG2 ILE 6 1HG2 ILE 6 -8.323 5.690 -3.476
45 2HG2 ILE 6 2HG2 ILE 6 -7.508 4.725 -2.245
46 3HG2 ILE 6 3HG2 ILE 6 -9.064 4.200 -2.891
47 1HD1 ILE 6 1HD1 ILE 6 -5.618 3.989 -6.668
48 2HD1 ILE 6 2HD1 ILE 6 -5.700 5.745 -6.520
49 3HD1 ILE 6 3HD1 ILE 6 -7.184 4.799 -6.629
50 H LEU 7 H LEU 7 -5.397 0.551 -3.538
51 HA LEU 7 HA LEU 7 -5.500 -0.054 -6.402
52 1HB LEU 7 2HB LEU 7 -3.465 1.387 -5.641
53 2HB LEU 7 1HB LEU 7 -2.876 -0.117 -4.958
54 HG LEU 7 HG LEU 7 -3.699 -0.040 -7.832
55 1HD1 LEU 7 1HD1 LEU 7 -2.137 1.900 -7.274
56 2HD1 LEU 7 2HD1 LEU 7 -1.640 0.799 -8.558
57 3HD1 LEU 7 3HD1 LEU 7 -0.919 0.667 -6.954
58 1HD2 LEU 7 1HD2 LEU 7 -2.779 -2.017 -6.185
59 2HD2 LEU 7 2HD2 LEU 7 -1.300 -1.481 -6.981
60 3HD2 LEU 7 3HD2 LEU 7 -2.673 -2.027 -7.945
61 HA PRO 8 HA PRO 8 -5.943 -3.922 -3.989
62 1HB PRO 8 2HB PRO 8 -7.683 -5.118 -5.660
63 2HB PRO 8 1HB PRO 8 -8.197 -3.900 -4.487
64 1HG PRO 8 2HG PRO 8 -7.665 -3.601 -7.418
65 2HG PRO 8 1HG PRO 8 -8.993 -2.937 -6.449
66 1HD PRO 8 2HD PRO 8 -6.793 -1.493 -7.176
67 2HD PRO 8 1HD PRO 8 -7.729 -1.173 -5.703
68 H LYS 9 H LYS 9 -3.614 -3.583 -5.313
69 HA LYS 9 HA LYS 9 -2.850 -6.113 -6.103
70 1HB LYS 9 2HB LYS 9 -4.333 -4.931 -8.152
71 2HB LYS 9 1HB LYS 9 -2.660 -4.725 -8.651
72 1HG LYS 9 2HG LYS 9 -2.319 -7.163 -8.301
73 2HG LYS 9 1HG LYS 9 -4.049 -7.309 -7.986
74 1HD LYS 9 2HD LYS 9 -4.449 -6.282 -10.241
75 2HD LYS 9 1HD LYS 9 -2.714 -6.416 -10.536
76 1HE LYS 9 2HE LYS 9 -3.223 -8.928 -9.759
77 2HE LYS 9 1HE LYS 9 -4.798 -8.514 -10.434
78 1HZ LYS 9 1HZ LYS 9 -2.260 -8.111 -11.911
79 2HZ LYS 9 2HZ LYS 9 -3.835 -8.066 -12.525
80 3HZ LYS 9 3HZ LYS 9 -3.168 -9.534 -12.019
81 H CYS 10 H CYS 10 -1.855 -3.972 -4.574
82 HA CYS 10 HA CYS 10 0.523 -3.125 -6.081
83 1HB CYS 10 2HB CYS 10 0.768 -1.321 -4.530
84 2HB CYS 10 1HB CYS 10 -0.918 -1.353 -5.027
85 H ALA 11 H ALA 11 -0.541 -4.604 -3.055
86 HA ALA 11 HA ALA 11 2.241 -5.361 -2.479
87 1HB ALA 11 1HB ALA 11 0.948 -6.067 -0.237
88 2HB ALA 11 2HB ALA 11 -0.111 -4.772 -0.794
89 3HB ALA 11 3HB ALA 11 1.599 -4.451 -0.510
90 H ALA 12 H ALA 12 2.070 -7.535 -0.989
91 HA ALA 12 HA ALA 12 0.692 -9.508 -2.693
92 1HB ALA 12 1HB ALA 12 3.040 -9.733 -3.023
93 2HB ALA 12 2HB ALA 12 2.519 -11.082 -2.014
94 3HB ALA 12 3HB ALA 12 3.347 -9.705 -1.287
95 H ALA 13 H ALA 13 1.654 -8.665 0.595
96 HA ALA 13 HA ALA 13 -0.339 -10.595 1.593
97 1HB ALA 13 1HB ALA 13 2.428 -10.044 2.472
98 2HB ALA 13 2HB ALA 13 1.498 -11.542 2.512
99 3HB ALA 13 3HB ALA 13 1.232 -10.305 3.742
100 H ALA 14 H ALA 14 -0.688 -7.769 0.851
101 HA ALA 14 HA ALA 14 -1.728 -5.896 1.617
102 1HB ALA 14 1HB ALA 14 -3.210 -7.793 2.534
103 2HB ALA 14 2HB ALA 14 -3.405 -6.175 3.209
104 3HB ALA 14 3HB ALA 14 -2.494 -7.396 4.097
105 H ASN 15 H ASN 15 0.910 -5.754 2.022
106 HA ASN 15 HA ASN 15 1.552 -5.202 4.776
107 1HB ASN 15 2HB ASN 15 3.728 -4.394 3.779
108 2HB ASN 15 1HB ASN 15 3.326 -6.072 3.431
109 1HD2 ASN 15 1HD2 ASN 15 3.991 -6.553 1.473
110 2HD2 ASN 15 2HD2 ASN 15 3.804 -5.572 0.063
111 H VAL 16 H VAL 16 1.906 -3.249 5.720
112 HA VAL 16 HA VAL 16 0.627 -0.980 4.388
113 HB VAL 16 HB VAL 16 0.068 -1.965 6.775
114 1HG1 VAL 16 1HG1 VAL 16 1.112 -0.721 8.586
115 2HG1 VAL 16 2HG1 VAL 16 2.188 0.074 7.438
116 3HG1 VAL 16 3HG1 VAL 16 2.309 -1.665 7.701
117 1HG2 VAL 16 1HG2 VAL 16 -0.053 0.888 7.087
118 2HG2 VAL 16 2HG2 VAL 16 -1.351 -0.257 6.747
119 3HG2 VAL 16 3HG2 VAL 16 -0.421 0.441 5.422
120 H ALA 17 H ALA 17 3.550 -1.826 6.193
121 HA ALA 17 HA ALA 17 4.759 0.742 5.911
122 1HB ALA 17 1HB ALA 17 6.241 -1.812 6.460
123 2HB ALA 17 2HB ALA 17 5.256 -1.013 7.686
124 3HB ALA 17 3HB ALA 17 6.637 -0.173 6.980
125 H ALA 18 H ALA 18 4.544 -2.050 3.890
126 HA ALA 18 HA ALA 18 6.672 -0.998 2.151
127 1HB ALA 18 1HB ALA 18 6.554 -3.468 3.086
128 2HB ALA 18 2HB ALA 18 7.157 -3.117 1.466
129 3HB ALA 18 3HB ALA 18 5.504 -3.689 1.687
130 H HIS 19 H HIS 19 3.548 -0.474 2.427
131 HA HIS 19 HA HIS 19 2.803 -0.997 -0.341
132 1HB HIS 19 2HB HIS 19 0.820 -1.375 0.639
133 2HB HIS 19 1HB HIS 19 1.367 -0.674 2.155
134 HD2 HIS 19 2HD HIS 19 0.708 1.994 2.570
135 HE1 HIS 19 1HE HIS 19 -1.740 2.306 -0.864
136 HE2 HIS 19 2HE HIS 19 -1.155 3.347 1.376
137 H THR 20 H THR 20 2.798 1.806 1.879
138 HA THR 20 HA THR 20 2.177 3.812 0.140
139 HB THR 20 HB THR 20 2.531 4.169 2.533
140 HG1 THR 20 1HG THR 20 3.650 6.164 2.343
141 1HG2 THR 20 1HG2 THR 20 5.029 4.721 3.114
142 2HG2 THR 20 2HG2 THR 20 5.348 3.511 1.873
143 3HG2 THR 20 3HG2 THR 20 4.387 3.088 3.289
144 H THR 21 H THR 21 5.143 2.003 0.237
145 HA THR 21 HA THR 21 6.949 3.663 -0.997
146 HB THR 21 HB THR 21 7.354 1.331 -0.157
147 HG1 THR 21 1HG THR 21 9.126 1.743 -1.177
148 1HG2 THR 21 1HG2 THR 21 6.622 0.362 -2.885
149 2HG2 THR 21 2HG2 THR 21 5.455 0.341 -1.564
150 3HG2 THR 21 3HG2 THR 21 6.961 -0.565 -1.424
151 H HIS 22 H HIS 22 4.383 1.760 -2.498
152 HA HIS 22 HA HIS 22 5.052 2.942 -5.106
153 1HB HIS 22 2HB HIS 22 3.318 1.184 -5.903
154 2HB HIS 22 1HB HIS 22 4.921 0.638 -5.426
155 HD1 HIS 22 1HD HIS 22 4.773 -1.447 -4.150
156 HD2 HIS 22 2HD HIS 22 1.548 1.054 -3.320
157 HE1 HIS 22 1HE HIS 22 3.388 -2.670 -2.450
158 HE2 HIS 22 2HE HIS 22 1.572 -1.047 -1.822
159 H CYS 23 H CYS 23 2.527 2.649 -2.724
160 HA CYS 23 HA CYS 23 0.600 4.056 -4.352
161 1HB CYS 23 2HB CYS 23 0.623 2.617 -1.752
162 2HB CYS 23 1HB CYS 23 -0.619 3.826 -2.005
163 H PHE 24 H PHE 24 -0.705 5.777 -2.991
164 HA PHE 24 HA PHE 24 1.090 7.512 -1.475
165 1HB PHE 24 2HB PHE 24 0.485 9.477 -2.818
166 2HB PHE 24 1HB PHE 24 1.308 8.267 -3.796
167 HD1 PHE 24 1HD PHE 24 -0.016 6.847 -5.353
168 HD2 PHE 24 2HD PHE 24 -1.710 10.175 -3.316
169 HE1 PHE 24 1HE PHE 24 -1.881 6.873 -6.958
170 HE2 PHE 24 2HE PHE 24 -3.580 10.208 -4.915
171 HZ PHE 24 HZ PHE 24 -3.667 8.555 -6.739
172 H LYS 25 H LYS 25 -1.166 5.886 -0.725
173 HA LYS 25 HA LYS 25 -3.030 5.992 0.574
174 1HB LYS 25 2HB LYS 25 -2.110 8.853 0.872
175 2HB LYS 25 1HB LYS 25 -3.431 8.151 1.796
176 1HG LYS 25 2HG LYS 25 -1.715 6.379 2.514
177 2HG LYS 25 1HG LYS 25 -0.508 7.523 1.924
178 1HD LYS 25 2HD LYS 25 -1.451 9.245 3.421
179 2HD LYS 25 1HD LYS 25 -2.589 8.049 4.045
180 1HE LYS 25 2HE LYS 25 -1.004 7.735 5.614
181 2HE LYS 25 1HE LYS 25 -0.263 6.723 4.374
182 1HZ LYS 25 1HZ LYS 25 0.906 8.850 3.655
183 2HZ LYS 25 2HZ LYS 25 1.437 8.121 5.085
184 3HZ LYS 25 3HZ LYS 25 0.440 9.485 5.152
Start of MODEL 12
1 1H ALA 1 1HT ALA 1 -1.307 4.612 7.158
2 2H ALA 1 2HT ALA 1 -2.839 4.039 7.673
3 3H ALA 1 3HT ALA 1 -2.501 4.200 5.999
4 HA ALA 1 HA ALA 1 -0.617 2.598 6.448
5 1HB ALA 1 1HB ALA 1 -0.495 1.561 8.425
6 2HB ALA 1 2HB ALA 1 -2.243 1.345 8.523
7 3HB ALA 1 3HB ALA 1 -1.512 2.870 9.026
8 H VAL 2 H VAL 2 -1.370 1.955 4.470
9 HA VAL 2 HA VAL 2 -2.671 0.928 2.896
10 HB VAL 2 HB VAL 2 -1.602 -0.973 4.081
11 1HG1 VAL 2 1HG1 VAL 2 -3.071 -2.355 5.566
12 2HG1 VAL 2 2HG1 VAL 2 -4.186 -0.990 5.627
13 3HG1 VAL 2 3HG1 VAL 2 -2.549 -0.820 6.262
14 1HG2 VAL 2 1HG2 VAL 2 -3.479 -1.036 2.156
15 2HG2 VAL 2 2HG2 VAL 2 -4.252 -2.053 3.372
16 3HG2 VAL 2 3HG2 VAL 2 -2.651 -2.471 2.760
17 H TYR 3 H TYR 3 -4.111 2.834 4.572
18 HA TYR 3 HA TYR 3 -6.766 1.638 4.813
19 1HB TYR 3 2HB TYR 3 -5.430 4.052 5.905
20 2HB TYR 3 1HB TYR 3 -7.155 4.190 5.580
21 HD1 TYR 3 1HD TYR 3 -4.658 2.971 7.840
22 HD2 TYR 3 2HD TYR 3 -8.715 2.486 6.651
23 HE1 TYR 3 1HE TYR 3 -5.143 1.848 9.973
24 HE2 TYR 3 2HE TYR 3 -9.211 1.362 8.780
25 HH TYR 3 HH TYR 3 -8.343 1.187 11.017
26 H TYR 4 H TYR 4 -5.066 4.214 3.091
27 HA TYR 4 HA TYR 4 -7.435 4.681 1.434
28 1HB TYR 4 2HB TYR 4 -4.912 6.226 1.944
29 2HB TYR 4 1HB TYR 4 -5.870 6.549 0.504
30 HD1 TYR 4 1HD TYR 4 -6.855 5.795 4.028
31 HD2 TYR 4 2HD TYR 4 -6.966 8.564 0.800
32 HE1 TYR 4 1HE TYR 4 -8.326 7.261 5.345
33 HE2 TYR 4 2HE TYR 4 -8.437 10.038 2.108
34 HH TYR 4 HH TYR 4 -9.995 9.040 4.937
35 H CYS 5 H CYS 5 -5.674 2.281 1.275
36 HA CYS 5 HA CYS 5 -4.236 2.539 -1.208
37 1HB CYS 5 2HB CYS 5 -3.400 1.024 0.505
38 2HB CYS 5 1HB CYS 5 -4.907 0.118 0.478
39 H ILE 6 H ILE 6 -5.600 2.997 -2.873
40 HA ILE 6 HA ILE 6 -7.972 1.328 -3.261
41 HB ILE 6 HB ILE 6 -8.582 2.912 -5.035
42 1HG1 ILE 6 2HG1 ILE 6 -6.900 5.098 -4.603
43 2HG1 ILE 6 1HG1 ILE 6 -5.808 3.721 -4.704
44 1HG2 ILE 6 1HG2 ILE 6 -9.147 4.756 -3.619
45 2HG2 ILE 6 2HG2 ILE 6 -7.836 4.366 -2.505
46 3HG2 ILE 6 3HG2 ILE 6 -9.218 3.281 -2.656
47 1HD1 ILE 6 1HD1 ILE 6 -6.329 3.296 -6.888
48 2HD1 ILE 6 2HD1 ILE 6 -6.494 5.051 -6.840
49 3HD1 ILE 6 3HD1 ILE 6 -7.928 4.028 -6.765
50 H LEU 7 H LEU 7 -5.380 0.157 -3.638
51 HA LEU 7 HA LEU 7 -5.309 -0.219 -6.554
52 1HB LEU 7 2HB LEU 7 -3.259 0.343 -4.810
53 2HB LEU 7 1HB LEU 7 -3.125 -1.395 -5.001
54 HG LEU 7 HG LEU 7 -3.386 0.237 -7.472
55 1HD1 LEU 7 1HD1 LEU 7 -0.660 -0.090 -6.345
56 2HD1 LEU 7 2HD1 LEU 7 -1.658 1.233 -5.740
57 3HD1 LEU 7 3HD1 LEU 7 -1.288 1.123 -7.461
58 1HD2 LEU 7 1HD2 LEU 7 -3.284 -2.137 -7.711
59 2HD2 LEU 7 2HD2 LEU 7 -1.867 -2.235 -6.665
60 3HD2 LEU 7 3HD2 LEU 7 -1.741 -1.474 -8.251
61 HA PRO 8 HA PRO 8 -7.389 -4.130 -5.825
62 1HB PRO 8 2HB PRO 8 -6.157 -4.707 -8.477
63 2HB PRO 8 1HB PRO 8 -7.829 -4.913 -7.945
64 1HG PRO 8 2HG PRO 8 -7.158 -2.888 -9.532
65 2HG PRO 8 1HG PRO 8 -8.336 -2.667 -8.225
66 1HD PRO 8 2HD PRO 8 -5.478 -1.817 -8.369
67 2HD PRO 8 1HD PRO 8 -6.864 -0.999 -7.619
68 H LYS 9 H LYS 9 -4.042 -3.749 -6.805
69 HA LYS 9 HA LYS 9 -3.153 -5.751 -4.994
70 1HB LYS 9 2HB LYS 9 -4.038 -6.887 -7.266
71 2HB LYS 9 1HB LYS 9 -2.391 -6.520 -7.756
72 1HG LYS 9 2HG LYS 9 -1.481 -7.864 -6.035
73 2HG LYS 9 1HG LYS 9 -3.047 -8.021 -5.237
74 1HD LYS 9 2HD LYS 9 -2.679 -8.987 -8.047
75 2HD LYS 9 1HD LYS 9 -2.148 -9.980 -6.689
76 1HE LYS 9 2HE LYS 9 -4.279 -10.358 -5.953
77 2HE LYS 9 1HE LYS 9 -4.886 -8.831 -6.590
78 1HZ LYS 9 1HZ LYS 9 -4.726 -9.776 -8.829
79 2HZ LYS 9 2HZ LYS 9 -5.771 -10.669 -7.845
80 3HZ LYS 9 3HZ LYS 9 -4.218 -11.252 -8.176
81 H CYS 10 H CYS 10 -1.891 -3.977 -4.323
82 HA CYS 10 HA CYS 10 0.115 -2.973 -6.196
83 1HB CYS 10 2HB CYS 10 0.589 -1.278 -4.522
84 2HB CYS 10 1HB CYS 10 -1.146 -1.357 -4.803
85 H ALA 11 H ALA 11 -0.138 -4.690 -3.117
86 HA ALA 11 HA ALA 11 2.702 -5.435 -3.392
87 1HB ALA 11 1HB ALA 11 1.493 -5.501 -0.696
88 2HB ALA 11 2HB ALA 11 1.795 -3.908 -1.390
89 3HB ALA 11 3HB ALA 11 3.123 -5.055 -1.200
90 H ALA 12 H ALA 12 -0.502 -6.438 -2.280
91 HA ALA 12 HA ALA 12 -1.497 -8.480 -2.154
92 1HB ALA 12 1HB ALA 12 -0.983 -10.052 -3.737
93 2HB ALA 12 2HB ALA 12 0.757 -9.828 -3.555
94 3HB ALA 12 3HB ALA 12 -0.198 -8.639 -4.439
95 H ALA 13 H ALA 13 0.427 -7.569 -0.140
96 HA ALA 13 HA ALA 13 0.930 -10.175 1.103
97 1HB ALA 13 1HB ALA 13 2.949 -8.115 0.449
98 2HB ALA 13 2HB ALA 13 3.106 -9.868 0.547
99 3HB ALA 13 3HB ALA 13 3.085 -8.901 2.022
100 H ALA 14 H ALA 14 -0.879 -7.644 1.359
101 HA ALA 14 HA ALA 14 -1.851 -6.421 3.017
102 1HB ALA 14 1HB ALA 14 -2.239 -8.827 3.731
103 2HB ALA 14 2HB ALA 14 -2.395 -7.593 4.982
104 3HB ALA 14 3HB ALA 14 -0.937 -8.581 4.895
105 H ASN 15 H ASN 15 1.067 -6.019 2.500
106 HA ASN 15 HA ASN 15 2.144 -5.294 5.089
107 1HB ASN 15 2HB ASN 15 4.077 -4.455 3.699
108 2HB ASN 15 1HB ASN 15 3.730 -6.171 3.527
109 1HD2 ASN 15 1HD2 ASN 15 3.161 -3.019 2.050
110 2HD2 ASN 15 2HD2 ASN 15 3.054 -3.600 0.427
111 H VAL 16 H VAL 16 2.261 -3.336 5.946
112 HA VAL 16 HA VAL 16 0.829 -1.190 4.567
113 HB VAL 16 HB VAL 16 0.375 -2.125 6.995
114 1HG1 VAL 16 1HG1 VAL 16 1.379 -0.756 8.741
115 2HG1 VAL 16 2HG1 VAL 16 2.390 0.051 7.544
116 3HG1 VAL 16 3HG1 VAL 16 2.609 -1.668 7.868
117 1HG2 VAL 16 1HG2 VAL 16 0.279 0.848 6.730
118 2HG2 VAL 16 2HG2 VAL 16 -0.931 -0.261 7.373
119 3HG2 VAL 16 3HG2 VAL 16 -0.659 -0.165 5.634
120 H ALA 17 H ALA 17 3.829 -1.802 6.344
121 HA ALA 17 HA ALA 17 4.886 0.815 5.959
122 1HB ALA 17 1HB ALA 17 6.006 -1.784 6.923
123 2HB ALA 17 2HB ALA 17 5.804 -0.260 7.787
124 3HB ALA 17 3HB ALA 17 7.079 -0.426 6.581
125 H ALA 18 H ALA 18 4.845 -2.079 4.052
126 HA ALA 18 HA ALA 18 6.862 -0.968 2.231
127 1HB ALA 18 1HB ALA 18 7.568 -3.100 2.529
128 2HB ALA 18 2HB ALA 18 6.442 -3.391 1.204
129 3HB ALA 18 3HB ALA 18 5.948 -3.710 2.867
130 H HIS 19 H HIS 19 3.681 -0.627 2.574
131 HA HIS 19 HA HIS 19 2.931 -1.160 -0.183
132 1HB HIS 19 2HB HIS 19 0.967 -1.598 0.808
133 2HB HIS 19 1HB HIS 19 1.520 -0.909 2.327
134 HD2 HIS 19 2HD HIS 19 0.809 1.743 2.790
135 HE1 HIS 19 1HE HIS 19 -1.755 2.017 -0.562
136 HE2 HIS 19 2HE HIS 19 -1.125 3.056 1.668
137 H THR 20 H THR 20 2.892 1.649 2.027
138 HA THR 20 HA THR 20 2.145 3.627 0.301
139 HB THR 20 HB THR 20 2.517 4.082 2.640
140 HG1 THR 20 1HG THR 20 3.424 6.059 2.414
141 1HG2 THR 20 1HG2 THR 20 5.237 4.541 2.924
142 2HG2 THR 20 2HG2 THR 20 5.120 2.954 2.163
143 3HG2 THR 20 3HG2 THR 20 4.285 3.265 3.685
144 H THR 21 H THR 21 5.169 1.915 0.305
145 HA THR 21 HA THR 21 6.883 3.628 -0.987
146 HB THR 21 HB THR 21 7.390 1.309 -0.174
147 HG1 THR 21 1HG THR 21 8.204 1.856 -2.832
148 1HG2 THR 21 1HG2 THR 21 6.578 0.317 -2.870
149 2HG2 THR 21 2HG2 THR 21 5.459 0.271 -1.507
150 3HG2 THR 21 3HG2 THR 21 6.991 -0.597 -1.419
151 H HIS 22 H HIS 22 4.326 1.653 -2.405
152 HA HIS 22 HA HIS 22 4.866 2.851 -5.033
153 1HB HIS 22 2HB HIS 22 3.105 1.061 -5.739
154 2HB HIS 22 1HB HIS 22 4.751 0.556 -5.373
155 HD1 HIS 22 1HD HIS 22 4.824 -1.464 -3.989
156 HD2 HIS 22 2HD HIS 22 1.442 0.817 -3.149
157 HE1 HIS 22 1HE HIS 22 3.575 -2.733 -2.218
158 HE2 HIS 22 2HE HIS 22 1.646 -1.241 -1.604
159 H CYS 23 H CYS 23 2.400 2.462 -2.587
160 HA CYS 23 HA CYS 23 0.406 3.859 -4.131
161 1HB CYS 23 2HB CYS 23 0.548 2.431 -1.529
162 2HB CYS 23 1HB CYS 23 -0.720 3.621 -1.738
163 H PHE 24 H PHE 24 -0.877 5.556 -2.694
164 HA PHE 24 HA PHE 24 0.813 7.265 -1.099
165 1HB PHE 24 2HB PHE 24 0.329 9.259 -2.622
166 2HB PHE 24 1HB PHE 24 1.558 8.122 -3.167
167 HD1 PHE 24 1HD PHE 24 1.078 6.566 -5.005
168 HD2 PHE 24 2HD PHE 24 -1.711 9.552 -3.816
169 HE1 PHE 24 1HE PHE 24 -0.129 6.280 -7.130
170 HE2 PHE 24 2HE PHE 24 -2.923 9.271 -5.939
171 HZ PHE 24 HZ PHE 24 -2.133 7.632 -7.598
172 H LYS 25 H LYS 25 -1.671 5.809 -0.764
173 HA LYS 25 HA LYS 25 -3.724 6.072 0.182
174 1HB LYS 25 2HB LYS 25 -2.904 8.936 0.665
175 2HB LYS 25 1HB LYS 25 -4.097 8.005 1.558
176 1HG LYS 25 2HG LYS 25 -2.501 6.790 2.693
177 2HG LYS 25 1HG LYS 25 -1.264 7.074 1.467
178 1HD LYS 25 2HD LYS 25 -0.790 9.198 2.247
179 2HD LYS 25 1HD LYS 25 -2.370 9.379 3.013
180 1HE LYS 25 2HE LYS 25 -1.216 8.969 4.904
181 2HE LYS 25 1HE LYS 25 -1.389 7.287 4.407
182 1HZ LYS 25 1HZ LYS 25 0.811 7.865 3.108
183 2HZ LYS 25 2HZ LYS 25 0.843 7.371 4.725
184 3HZ LYS 25 3HZ LYS 25 0.969 9.013 4.341
Start of MODEL 13
1 1H ALA 1 1HT ALA 1 -2.344 4.326 5.304
2 2H ALA 1 2HT ALA 1 -1.766 4.848 6.834
3 3H ALA 1 3HT ALA 1 -3.337 4.171 6.692
4 HA ALA 1 HA ALA 1 -0.805 2.770 6.162
5 1HB ALA 1 1HB ALA 1 -1.657 1.486 8.258
6 2HB ALA 1 2HB ALA 1 -2.551 2.972 8.577
7 3HB ALA 1 3HB ALA 1 -0.793 3.010 8.456
8 H VAL 2 H VAL 2 -1.584 1.882 4.238
9 HA VAL 2 HA VAL 2 -2.824 0.542 2.861
10 HB VAL 2 HB VAL 2 -1.558 -1.085 4.244
11 1HG1 VAL 2 1HG1 VAL 2 -2.869 -2.380 5.949
12 2HG1 VAL 2 2HG1 VAL 2 -4.087 -1.107 5.879
13 3HG1 VAL 2 3HG1 VAL 2 -2.453 -0.733 6.421
14 1HG2 VAL 2 1HG2 VAL 2 -3.457 -1.570 2.411
15 2HG2 VAL 2 2HG2 VAL 2 -4.126 -2.464 3.775
16 3HG2 VAL 2 3HG2 VAL 2 -2.508 -2.839 3.183
17 H TYR 3 H TYR 3 -4.384 2.523 4.331
18 HA TYR 3 HA TYR 3 -6.941 1.119 4.674
19 1HB TYR 3 2HB TYR 3 -5.739 3.527 5.867
20 2HB TYR 3 1HB TYR 3 -7.435 3.699 5.431
21 HD1 TYR 3 1HD TYR 3 -5.090 2.286 7.773
22 HD2 TYR 3 2HD TYR 3 -9.110 2.092 6.397
23 HE1 TYR 3 1HE TYR 3 -5.733 1.118 9.838
24 HE2 TYR 3 2HE TYR 3 -9.766 0.922 8.458
25 HH TYR 3 HH TYR 3 -8.489 -0.578 10.209
26 H TYR 4 H TYR 4 -5.463 3.896 3.042
27 HA TYR 4 HA TYR 4 -7.832 4.152 1.341
28 1HB TYR 4 2HB TYR 4 -5.506 5.950 1.951
29 2HB TYR 4 1HB TYR 4 -6.479 6.214 0.507
30 HD1 TYR 4 1HD TYR 4 -6.960 5.630 4.171
31 HD2 TYR 4 2HD TYR 4 -8.246 7.685 0.675
32 HE1 TYR 4 1HE TYR 4 -8.599 6.878 5.514
33 HE2 TYR 4 2HE TYR 4 -9.889 8.938 2.008
34 HH TYR 4 HH TYR 4 -11.087 8.193 4.625
35 H CYS 5 H CYS 5 -5.747 1.993 1.174
36 HA CYS 5 HA CYS 5 -4.244 2.458 -1.207
37 1HB CYS 5 2HB CYS 5 -3.414 0.856 0.384
38 2HB CYS 5 1HB CYS 5 -4.912 -0.064 0.320
39 H ILE 6 H ILE 6 -5.987 3.243 -2.570
40 HA ILE 6 HA ILE 6 -8.222 1.725 -3.310
41 HB ILE 6 HB ILE 6 -8.227 3.114 -5.394
42 1HG1 ILE 6 2HG1 ILE 6 -5.895 4.585 -4.180
43 2HG1 ILE 6 1HG1 ILE 6 -5.653 3.295 -5.352
44 1HG2 ILE 6 1HG2 ILE 6 -7.778 4.954 -3.094
45 2HG2 ILE 6 2HG2 ILE 6 -9.072 3.760 -3.001
46 3HG2 ILE 6 3HG2 ILE 6 -9.064 4.951 -4.302
47 1HD1 ILE 6 1HD1 ILE 6 -5.901 4.789 -6.959
48 2HD1 ILE 6 2HD1 ILE 6 -6.327 6.037 -5.786
49 3HD1 ILE 6 3HD1 ILE 6 -7.581 4.997 -6.462
50 H LEU 7 H LEU 7 -4.896 1.598 -4.355
51 HA LEU 7 HA LEU 7 -5.155 0.247 -6.772
52 1HB LEU 7 2HB LEU 7 -3.071 1.158 -5.344
53 2HB LEU 7 1HB LEU 7 -2.925 -0.554 -4.995
54 HG LEU 7 HG LEU 7 -3.141 0.430 -7.824
55 1HD1 LEU 7 1HD1 LEU 7 -0.504 -0.079 -6.507
56 2HD1 LEU 7 2HD1 LEU 7 -1.244 1.521 -6.446
57 3HD1 LEU 7 3HD1 LEU 7 -0.861 0.786 -8.002
58 1HD2 LEU 7 1HD2 LEU 7 -1.505 -1.896 -7.044
59 2HD2 LEU 7 2HD2 LEU 7 -2.592 -1.678 -8.415
60 3HD2 LEU 7 3HD2 LEU 7 -3.246 -2.065 -6.824
61 HA PRO 8 HA PRO 8 -7.205 -3.479 -5.212
62 1HB PRO 8 2HB PRO 8 -6.508 -4.314 -7.987
63 2HB PRO 8 1HB PRO 8 -8.044 -4.448 -7.124
64 1HG PRO 8 2HG PRO 8 -7.699 -2.585 -8.991
65 2HG PRO 8 1HG PRO 8 -8.603 -2.228 -7.507
66 1HD PRO 8 2HD PRO 8 -5.831 -1.434 -8.279
67 2HD PRO 8 1HD PRO 8 -7.047 -0.535 -7.349
68 H LYS 9 H LYS 9 -4.339 -3.664 -7.329
69 HA LYS 9 HA LYS 9 -3.184 -5.612 -5.457
70 1HB LYS 9 2HB LYS 9 -4.173 -6.437 -7.815
71 2HB LYS 9 1HB LYS 9 -2.563 -5.960 -8.338
72 1HG LYS 9 2HG LYS 9 -1.523 -7.571 -7.044
73 2HG LYS 9 1HG LYS 9 -2.907 -7.738 -5.962
74 1HD LYS 9 2HD LYS 9 -4.063 -8.504 -8.245
75 2HD LYS 9 1HD LYS 9 -2.399 -8.966 -8.610
76 1HE LYS 9 2HE LYS 9 -2.322 -10.261 -6.522
77 2HE LYS 9 1HE LYS 9 -3.999 -9.824 -6.200
78 1HZ LYS 9 1HZ LYS 9 -3.133 -11.282 -8.633
79 2HZ LYS 9 2HZ LYS 9 -4.715 -11.041 -8.086
80 3HZ LYS 9 3HZ LYS 9 -3.670 -12.055 -7.226
81 H CYS 10 H CYS 10 -1.714 -4.235 -4.564
82 HA CYS 10 HA CYS 10 0.197 -2.950 -6.401
83 1HB CYS 10 2HB CYS 10 0.623 -1.301 -4.676
84 2HB CYS 10 1HB CYS 10 -1.106 -1.379 -4.990
85 H ALA 11 H ALA 11 -0.145 -4.764 -3.390
86 HA ALA 11 HA ALA 11 2.618 -5.699 -3.720
87 1HB ALA 11 1HB ALA 11 1.781 -5.360 -0.927
88 2HB ALA 11 2HB ALA 11 2.004 -3.857 -1.823
89 3HB ALA 11 3HB ALA 11 3.328 -5.015 -1.702
90 H ALA 12 H ALA 12 -0.454 -6.161 -1.996
91 HA ALA 12 HA ALA 12 -1.613 -8.032 -1.420
92 1HB ALA 12 1HB ALA 12 -1.769 -8.888 -3.523
93 2HB ALA 12 2HB ALA 12 -0.816 -10.169 -2.774
94 3HB ALA 12 3HB ALA 12 -0.022 -8.937 -3.755
95 H ALA 13 H ALA 13 0.355 -7.348 0.326
96 HA ALA 13 HA ALA 13 1.222 -9.976 1.302
97 1HB ALA 13 1HB ALA 13 2.937 -7.607 0.764
98 2HB ALA 13 2HB ALA 13 3.275 -9.322 0.537
99 3HB ALA 13 3HB ALA 13 3.313 -8.623 2.156
100 H ALA 14 H ALA 14 -0.800 -7.656 1.921
101 HA ALA 14 HA ALA 14 -1.752 -6.699 3.753
102 1HB ALA 14 1HB ALA 14 -1.655 -9.270 4.251
103 2HB ALA 14 2HB ALA 14 -2.162 -8.130 5.498
104 3HB ALA 14 3HB ALA 14 -0.519 -8.771 5.504
105 H ASN 15 H ASN 15 1.079 -5.975 3.067
106 HA ASN 15 HA ASN 15 2.007 -5.093 5.712
107 1HB ASN 15 2HB ASN 15 4.132 -4.528 4.346
108 2HB ASN 15 1HB ASN 15 3.795 -6.218 4.703
109 1HD2 ASN 15 1HD2 ASN 15 5.247 -6.590 2.895
110 2HD2 ASN 15 2HD2 ASN 15 4.612 -6.558 1.289
111 H VAL 16 H VAL 16 2.368 -2.985 6.158
112 HA VAL 16 HA VAL 16 1.123 -1.082 4.317
113 HB VAL 16 HB VAL 16 0.548 -1.454 6.866
114 1HG1 VAL 16 1HG1 VAL 16 2.786 -0.982 7.716
115 2HG1 VAL 16 2HG1 VAL 16 1.613 0.183 8.325
116 3HG1 VAL 16 3HG1 VAL 16 2.714 0.639 7.026
117 1HG2 VAL 16 1HG2 VAL 16 -0.045 1.073 6.917
118 2HG2 VAL 16 2HG2 VAL 16 -0.778 0.031 5.697
119 3HG2 VAL 16 3HG2 VAL 16 0.580 1.071 5.268
120 H ALA 17 H ALA 17 4.030 -1.491 6.302
121 HA ALA 17 HA ALA 17 5.305 0.902 5.563
122 1HB ALA 17 1HB ALA 17 7.410 -0.658 6.109
123 2HB ALA 17 2HB ALA 17 6.132 -1.641 6.824
124 3HB ALA 17 3HB ALA 17 6.368 0.023 7.359
125 H ALA 18 H ALA 18 4.933 -2.117 3.906
126 HA ALA 18 HA ALA 18 6.970 -1.384 1.933
127 1HB ALA 18 1HB ALA 18 6.656 -3.744 3.034
128 2HB ALA 18 2HB ALA 18 7.110 -3.592 1.337
129 3HB ALA 18 3HB ALA 18 5.435 -3.932 1.775
130 H HIS 19 H HIS 19 3.637 -1.106 2.412
131 HA HIS 19 HA HIS 19 2.909 -1.368 -0.371
132 1HB HIS 19 2HB HIS 19 0.947 -1.843 0.610
133 2HB HIS 19 1HB HIS 19 1.509 -1.229 2.157
134 HD2 HIS 19 2HD HIS 19 0.807 1.398 2.750
135 HE1 HIS 19 1HE HIS 19 -1.734 1.858 -0.599
136 HE2 HIS 19 2HE HIS 19 -0.860 2.951 1.512
137 H THR 20 H THR 20 2.879 1.316 1.991
138 HA THR 20 HA THR 20 2.163 3.391 0.376
139 HB THR 20 HB THR 20 2.568 3.628 2.778
140 HG1 THR 20 1HG THR 20 2.595 5.518 1.524
141 1HG2 THR 20 1HG2 THR 20 5.261 2.816 2.072
142 2HG2 THR 20 2HG2 THR 20 4.443 2.808 3.634
143 3HG2 THR 20 3HG2 THR 20 5.218 4.281 3.052
144 H THR 21 H THR 21 5.181 1.668 0.305
145 HA THR 21 HA THR 21 6.909 3.443 -0.879
146 HB THR 21 HB THR 21 7.388 1.070 -0.191
147 HG1 THR 21 1HG THR 21 9.049 1.949 -1.231
148 1HG2 THR 21 1HG2 THR 21 6.629 0.264 -2.965
149 2HG2 THR 21 2HG2 THR 21 5.488 0.123 -1.628
150 3HG2 THR 21 3HG2 THR 21 7.021 -0.748 -1.575
151 H HIS 22 H HIS 22 4.351 1.565 -2.423
152 HA HIS 22 HA HIS 22 4.917 2.908 -4.975
153 1HB HIS 22 2HB HIS 22 3.166 1.163 -5.801
154 2HB HIS 22 1HB HIS 22 4.805 0.634 -5.442
155 HD1 HIS 22 1HD HIS 22 4.847 -1.468 -4.187
156 HD2 HIS 22 2HD HIS 22 1.477 0.787 -3.236
157 HE1 HIS 22 1HE HIS 22 3.576 -2.831 -2.505
158 HE2 HIS 22 2HE HIS 22 1.656 -1.360 -1.812
159 H CYS 23 H CYS 23 2.434 2.387 -2.572
160 HA CYS 23 HA CYS 23 0.449 3.862 -4.053
161 1HB CYS 23 2HB CYS 23 0.577 2.299 -1.530
162 2HB CYS 23 1HB CYS 23 -0.690 3.500 -1.682
163 H PHE 24 H PHE 24 0.126 5.987 -3.913
164 HA PHE 24 HA PHE 24 1.583 7.497 -1.874
165 1HB PHE 24 2HB PHE 24 0.901 9.476 -3.322
166 2HB PHE 24 1HB PHE 24 2.011 8.323 -4.056
167 HD1 PHE 24 1HD PHE 24 -1.455 9.545 -4.014
168 HD2 PHE 24 2HD PHE 24 1.378 7.027 -5.950
169 HE1 PHE 24 1HE PHE 24 -2.996 9.279 -5.914
170 HE2 PHE 24 2HE PHE 24 -0.158 6.757 -7.853
171 HZ PHE 24 HZ PHE 24 -2.347 7.885 -7.837
172 H LYS 25 H LYS 25 -0.674 6.074 -0.991
173 HA LYS 25 HA LYS 25 -2.545 6.329 0.274
174 1HB LYS 25 2HB LYS 25 -0.932 8.378 0.975
175 2HB LYS 25 1HB LYS 25 -2.324 9.281 0.395
176 1HG LYS 25 2HG LYS 25 -3.721 8.437 2.040
177 2HG LYS 25 1HG LYS 25 -2.676 7.050 2.354
178 1HD LYS 25 2HD LYS 25 -1.444 9.680 2.823
179 2HD LYS 25 1HD LYS 25 -2.780 9.275 3.902
180 1HE LYS 25 2HE LYS 25 -1.178 8.242 5.098
181 2HE LYS 25 1HE LYS 25 -1.403 6.949 3.922
182 1HZ LYS 25 1HZ LYS 25 0.401 8.004 2.598
183 2HZ LYS 25 2HZ LYS 25 0.909 7.391 4.091
184 3HZ LYS 25 3HZ LYS 25 0.685 9.056 3.893
Start of MODEL 14
1 1H ALA 1 1HT ALA 1 -1.082 4.441 2.773
2 2H ALA 1 2HT ALA 1 -1.668 5.222 4.184
3 3H ALA 1 3HT ALA 1 -2.770 4.550 3.053
4 HA ALA 1 HA ALA 1 -0.760 2.901 4.386
5 1HB ALA 1 1HB ALA 1 -1.938 2.705 6.309
6 2HB ALA 1 2HB ALA 1 -3.489 2.988 5.517
7 3HB ALA 1 3HB ALA 1 -2.430 4.348 5.893
8 H VAL 2 H VAL 2 -2.472 0.858 5.014
9 HA VAL 2 HA VAL 2 -3.162 -0.128 2.354
10 HB VAL 2 HB VAL 2 -1.726 -1.539 3.761
11 1HG1 VAL 2 1HG1 VAL 2 -4.104 -1.619 5.612
12 2HG1 VAL 2 2HG1 VAL 2 -2.521 -0.919 5.952
13 3HG1 VAL 2 3HG1 VAL 2 -2.688 -2.662 5.742
14 1HG2 VAL 2 1HG2 VAL 2 -3.776 -2.350 2.204
15 2HG2 VAL 2 2HG2 VAL 2 -4.196 -3.144 3.721
16 3HG2 VAL 2 3HG2 VAL 2 -2.628 -3.449 2.971
17 H TYR 3 H TYR 3 -4.635 0.768 5.380
18 HA TYR 3 HA TYR 3 -7.102 -0.520 5.143
19 1HB TYR 3 2HB TYR 3 -6.106 1.889 6.583
20 2HB TYR 3 1HB TYR 3 -7.850 1.692 6.437
21 HD1 TYR 3 1HD TYR 3 -8.770 -0.669 7.127
22 HD2 TYR 3 2HD TYR 3 -5.009 0.892 8.360
23 HE1 TYR 3 1HE TYR 3 -8.757 -2.221 9.035
24 HE2 TYR 3 2HE TYR 3 -4.985 -0.657 10.269
25 HH TYR 3 HH TYR 3 -7.565 -2.168 11.444
26 H TYR 4 H TYR 4 -5.852 2.344 3.589
27 HA TYR 4 HA TYR 4 -8.383 2.573 2.103
28 1HB TYR 4 2HB TYR 4 -7.722 5.053 1.869
29 2HB TYR 4 1HB TYR 4 -8.386 4.518 3.408
30 HD1 TYR 4 1HD TYR 4 -5.733 6.246 1.839
31 HD2 TYR 4 2HD TYR 4 -6.638 3.833 5.223
32 HE1 TYR 4 1HE TYR 4 -3.752 7.133 2.993
33 HE2 TYR 4 2HE TYR 4 -4.659 4.713 6.388
34 HH TYR 4 HH TYR 4 -3.212 6.710 6.308
35 H CYS 5 H CYS 5 -5.768 1.167 1.577
36 HA CYS 5 HA CYS 5 -4.338 2.527 -0.426
37 1HB CYS 5 2HB CYS 5 -3.236 0.667 0.468
38 2HB CYS 5 1HB CYS 5 -4.652 -0.364 0.326
39 H ILE 6 H ILE 6 -5.695 3.497 -1.901
40 HA ILE 6 HA ILE 6 -7.904 2.359 -3.156
41 HB ILE 6 HB ILE 6 -7.544 4.045 -4.953
42 1HG1 ILE 6 2HG1 ILE 6 -5.632 5.741 -4.111
43 2HG1 ILE 6 1HG1 ILE 6 -4.915 4.223 -3.583
44 1HG2 ILE 6 1HG2 ILE 6 -8.239 5.814 -3.645
45 2HG2 ILE 6 2HG2 ILE 6 -7.130 5.418 -2.333
46 3HG2 ILE 6 3HG2 ILE 6 -8.572 4.437 -2.594
47 1HD1 ILE 6 1HD1 ILE 6 -4.257 3.761 -5.641
48 2HD1 ILE 6 2HD1 ILE 6 -4.811 5.364 -6.123
49 3HD1 ILE 6 3HD1 ILE 6 -5.891 3.978 -6.268
50 H LEU 7 H LEU 7 -4.495 2.356 -4.136
51 HA LEU 7 HA LEU 7 -4.724 1.233 -6.653
52 1HB LEU 7 2HB LEU 7 -2.656 2.030 -5.187
53 2HB LEU 7 1HB LEU 7 -2.507 0.307 -4.899
54 HG LEU 7 HG LEU 7 -2.701 1.368 -7.699
55 1HD1 LEU 7 1HD1 LEU 7 -0.884 2.560 -6.430
56 2HD1 LEU 7 2HD1 LEU 7 -0.352 1.637 -7.836
57 3HD1 LEU 7 3HD1 LEU 7 -0.113 0.989 -6.214
58 1HD2 LEU 7 1HD2 LEU 7 -0.993 -0.917 -6.983
59 2HD2 LEU 7 2HD2 LEU 7 -2.113 -0.711 -8.329
60 3HD2 LEU 7 3HD2 LEU 7 -2.723 -1.156 -6.735
61 HA PRO 8 HA PRO 8 -6.471 -2.730 -5.331
62 1HB PRO 8 2HB PRO 8 -7.197 -3.558 -7.802
63 2HB PRO 8 1HB PRO 8 -8.141 -2.383 -6.877
64 1HG PRO 8 2HG PRO 8 -6.167 -1.914 -9.079
65 2HG PRO 8 1HG PRO 8 -7.752 -1.162 -8.819
66 1HD PRO 8 2HD PRO 8 -5.421 0.055 -8.150
67 2HD PRO 8 1HD PRO 8 -6.933 0.318 -7.256
68 H LYS 9 H LYS 9 -5.078 -4.292 -4.821
69 HA LYS 9 HA LYS 9 -3.457 -5.879 -4.956
70 1HB LYS 9 2HB LYS 9 -4.272 -5.735 -7.858
71 2HB LYS 9 1HB LYS 9 -3.100 -6.899 -7.255
72 1HG LYS 9 2HG LYS 9 -5.919 -6.659 -6.230
73 2HG LYS 9 1HG LYS 9 -5.406 -7.788 -7.486
74 1HD LYS 9 2HD LYS 9 -3.859 -8.843 -5.933
75 2HD LYS 9 1HD LYS 9 -4.300 -7.682 -4.680
76 1HE LYS 9 2HE LYS 9 -5.547 -9.598 -4.173
77 2HE LYS 9 1HE LYS 9 -6.689 -8.524 -4.981
78 1HZ LYS 9 1HZ LYS 9 -5.239 -10.367 -6.697
79 2HZ LYS 9 2HZ LYS 9 -6.861 -9.893 -6.743
80 3HZ LYS 9 3HZ LYS 9 -6.358 -11.073 -5.641
81 H CYS 10 H CYS 10 -2.181 -3.801 -4.411
82 HA CYS 10 HA CYS 10 -0.332 -2.997 -6.510
83 1HB CYS 10 2HB CYS 10 0.476 -1.348 -4.917
84 2HB CYS 10 1HB CYS 10 -1.281 -1.297 -4.983
85 H ALA 11 H ALA 11 -0.421 -4.960 -3.629
86 HA ALA 11 HA ALA 11 2.137 -6.125 -4.323
87 1HB ALA 11 1HB ALA 11 2.599 -5.770 -1.659
88 2HB ALA 11 2HB ALA 11 1.834 -4.242 -2.100
89 3HB ALA 11 3HB ALA 11 3.286 -4.778 -2.946
90 H ALA 12 H ALA 12 -0.467 -5.955 -1.914
91 HA ALA 12 HA ALA 12 -1.672 -7.566 -0.855
92 1HB ALA 12 1HB ALA 12 -2.188 -9.536 -2.006
93 2HB ALA 12 2HB ALA 12 -0.623 -9.579 -2.819
94 3HB ALA 12 3HB ALA 12 -1.824 -8.372 -3.279
95 H ALA 13 H ALA 13 0.190 -7.110 0.724
96 HA ALA 13 HA ALA 13 1.320 -9.701 1.495
97 1HB ALA 13 1HB ALA 13 3.273 -8.899 0.639
98 2HB ALA 13 2HB ALA 13 3.372 -8.218 2.262
99 3HB ALA 13 3HB ALA 13 2.833 -7.214 0.916
100 H ALA 14 H ALA 14 -0.812 -7.592 2.368
101 HA ALA 14 HA ALA 14 -1.705 -6.809 4.308
102 1HB ALA 14 1HB ALA 14 -1.132 -9.400 4.703
103 2HB ALA 14 2HB ALA 14 -1.904 -8.379 5.918
104 3HB ALA 14 3HB ALA 14 -0.168 -8.681 5.992
105 H ASN 15 H ASN 15 0.999 -5.789 3.420
106 HA ASN 15 HA ASN 15 1.873 -4.716 6.019
107 1HB ASN 15 2HB ASN 15 4.048 -4.250 4.649
108 2HB ASN 15 1HB ASN 15 3.753 -5.865 5.280
109 1HD2 ASN 15 1HD2 ASN 15 5.309 -6.443 3.600
110 2HD2 ASN 15 2HD2 ASN 15 4.733 -6.725 1.997
111 H VAL 16 H VAL 16 2.131 -2.576 6.256
112 HA VAL 16 HA VAL 16 1.009 -0.906 4.131
113 HB VAL 16 HB VAL 16 0.207 -1.017 6.626
114 1HG1 VAL 16 1HG1 VAL 16 1.155 0.740 8.031
115 2HG1 VAL 16 2HG1 VAL 16 2.392 1.052 6.814
116 3HG1 VAL 16 3HG1 VAL 16 2.351 -0.499 7.652
117 1HG2 VAL 16 1HG2 VAL 16 0.473 1.748 5.525
118 2HG2 VAL 16 2HG2 VAL 16 -0.917 0.972 6.284
119 3HG2 VAL 16 3HG2 VAL 16 -0.448 0.530 4.643
120 H ALA 17 H ALA 17 3.740 -1.026 6.387
121 HA ALA 17 HA ALA 17 5.052 1.294 5.542
122 1HB ALA 17 1HB ALA 17 5.820 -1.147 7.023
123 2HB ALA 17 2HB ALA 17 6.007 0.552 7.457
124 3HB ALA 17 3HB ALA 17 7.131 -0.197 6.324
125 H ALA 18 H ALA 18 4.883 -1.882 4.138
126 HA ALA 18 HA ALA 18 7.023 -1.293 2.245
127 1HB ALA 18 1HB ALA 18 5.592 -3.730 3.116
128 2HB ALA 18 2HB ALA 18 7.303 -3.478 2.772
129 3HB ALA 18 3HB ALA 18 6.160 -3.693 1.446
130 H HIS 19 H HIS 19 3.608 -1.107 2.459
131 HA HIS 19 HA HIS 19 3.108 -1.388 -0.355
132 1HB HIS 19 2HB HIS 19 1.043 -1.761 0.435
133 2HB HIS 19 1HB HIS 19 1.533 -1.238 2.040
134 HD2 HIS 19 2HD HIS 19 1.030 1.478 2.621
135 HE1 HIS 19 1HE HIS 19 -1.523 2.019 -0.707
136 HE2 HIS 19 2HE HIS 19 -0.578 3.093 1.384
137 H THR 20 H THR 20 3.116 1.355 1.925
138 HA THR 20 HA THR 20 2.459 3.411 0.252
139 HB THR 20 HB THR 20 2.803 3.812 2.591
140 HG1 THR 20 1HG THR 20 3.326 5.525 1.030
141 1HG2 THR 20 1HG2 THR 20 5.549 4.069 2.952
142 2HG2 THR 20 2HG2 THR 20 5.323 2.500 2.179
143 3HG2 THR 20 3HG2 THR 20 4.479 2.872 3.682
144 H THR 21 H THR 21 5.406 1.572 0.219
145 HA THR 21 HA THR 21 7.188 3.280 -1.003
146 HB THR 21 HB THR 21 7.589 0.906 -0.223
147 HG1 THR 21 1HG THR 21 9.190 2.019 -1.350
148 1HG2 THR 21 1HG2 THR 21 6.912 0.067 -3.009
149 2HG2 THR 21 2HG2 THR 21 5.729 -0.040 -1.706
150 3HG2 THR 21 3HG2 THR 21 7.248 -0.930 -1.594
151 H HIS 22 H HIS 22 4.583 1.418 -2.480
152 HA HIS 22 HA HIS 22 5.202 2.624 -5.086
153 1HB HIS 22 2HB HIS 22 3.374 0.927 -5.836
154 2HB HIS 22 1HB HIS 22 4.985 0.336 -5.444
155 HD1 HIS 22 1HD HIS 22 4.935 -1.690 -4.067
156 HD2 HIS 22 2HD HIS 22 1.645 0.742 -3.289
157 HE1 HIS 22 1HE HIS 22 3.590 -2.910 -2.334
158 HE2 HIS 22 2HE HIS 22 1.722 -1.330 -1.749
159 H CYS 23 H CYS 23 2.697 2.322 -2.669
160 HA CYS 23 HA CYS 23 0.790 3.834 -4.217
161 1HB CYS 23 2HB CYS 23 0.828 2.342 -1.650
162 2HB CYS 23 1HB CYS 23 -0.372 3.607 -1.834
163 H PHE 24 H PHE 24 -0.407 5.614 -2.896
164 HA PHE 24 HA PHE 24 1.467 7.254 -1.360
165 1HB PHE 24 2HB PHE 24 0.909 9.254 -2.684
166 2HB PHE 24 1HB PHE 24 1.693 8.024 -3.670
167 HD1 PHE 24 1HD PHE 24 -1.229 10.059 -3.215
168 HD2 PHE 24 2HD PHE 24 0.288 6.608 -5.188
169 HE1 PHE 24 1HE PHE 24 -3.102 10.152 -4.808
170 HE2 PHE 24 2HE PHE 24 -1.582 6.695 -6.786
171 HZ PHE 24 HZ PHE 24 -3.278 8.469 -6.597
172 H LYS 25 H LYS 25 -0.594 5.826 -0.276
173 HA LYS 25 HA LYS 25 -2.387 6.015 1.110
174 1HB LYS 25 2HB LYS 25 -1.424 8.847 0.938
175 2HB LYS 25 1HB LYS 25 -2.919 8.488 1.789
176 1HG LYS 25 2HG LYS 25 -1.861 7.494 3.516
177 2HG LYS 25 1HG LYS 25 -0.590 6.822 2.494
178 1HD LYS 25 2HD LYS 25 0.616 8.836 2.481
179 2HD LYS 25 1HD LYS 25 -0.767 9.766 3.062
180 1HE LYS 25 2HE LYS 25 0.381 9.609 5.016
181 2HE LYS 25 1HE LYS 25 -0.521 8.098 5.118
182 1HZ LYS 25 1HZ LYS 25 1.633 7.303 3.774
183 2HZ LYS 25 2HZ LYS 25 1.518 7.251 5.460
184 3HZ LYS 25 3HZ LYS 25 2.317 8.538 4.709
Start of MODEL 15
1 1H ALA 1 1HT ALA 1 -1.532 4.697 6.648
2 2H ALA 1 2HT ALA 1 -3.124 4.061 6.752
3 3H ALA 1 3HT ALA 1 -2.288 4.048 5.253
4 HA ALA 1 HA ALA 1 -0.634 2.590 6.218
5 1HB ALA 1 1HB ALA 1 -0.580 2.703 8.466
6 2HB ALA 1 2HB ALA 1 -1.786 1.420 8.359
7 3HB ALA 1 3HB ALA 1 -2.296 3.092 8.595
8 H VAL 2 H VAL 2 -1.544 1.814 4.223
9 HA VAL 2 HA VAL 2 -2.803 0.450 2.888
10 HB VAL 2 HB VAL 2 -1.332 -1.139 4.100
11 1HG1 VAL 2 1HG1 VAL 2 -2.410 -2.580 5.841
12 2HG1 VAL 2 2HG1 VAL 2 -3.721 -1.403 5.914
13 3HG1 VAL 2 3HG1 VAL 2 -2.081 -0.924 6.351
14 1HG2 VAL 2 1HG2 VAL 2 -3.275 -1.689 2.370
15 2HG2 VAL 2 2HG2 VAL 2 -3.873 -2.622 3.742
16 3HG2 VAL 2 3HG2 VAL 2 -2.267 -2.945 3.088
17 H TYR 3 H TYR 3 -4.367 2.267 4.550
18 HA TYR 3 HA TYR 3 -6.807 0.682 4.976
19 1HB TYR 3 2HB TYR 3 -5.582 2.710 6.519
20 2HB TYR 3 1HB TYR 3 -7.065 3.403 5.872
21 HD1 TYR 3 1HD TYR 3 -5.817 0.354 7.625
22 HD2 TYR 3 2HD TYR 3 -9.069 3.021 6.977
23 HE1 TYR 3 1HE TYR 3 -7.109 -0.807 9.366
24 HE2 TYR 3 2HE TYR 3 -10.368 1.868 8.717
25 HH TYR 3 HH TYR 3 -9.517 -1.134 9.963
26 H TYR 4 H TYR 4 -5.893 3.937 3.838
27 HA TYR 4 HA TYR 4 -8.297 4.237 2.318
28 1HB TYR 4 2HB TYR 4 -5.784 5.835 2.655
29 2HB TYR 4 1HB TYR 4 -6.892 6.226 1.344
30 HD1 TYR 4 1HD TYR 4 -8.330 7.962 1.794
31 HD2 TYR 4 2HD TYR 4 -7.174 5.396 4.986
32 HE1 TYR 4 1HE TYR 4 -9.705 9.283 3.347
33 HE2 TYR 4 2HE TYR 4 -8.546 6.709 6.546
34 HH TYR 4 HH TYR 4 -9.495 8.946 6.732
35 H CYS 5 H CYS 5 -5.256 2.777 1.742
36 HA CYS 5 HA CYS 5 -4.807 3.107 -0.951
37 1HB CYS 5 2HB CYS 5 -3.225 1.898 0.374
38 2HB CYS 5 1HB CYS 5 -4.419 0.682 0.807
39 H ILE 6 H ILE 6 -5.794 2.521 -2.779
40 HA ILE 6 HA ILE 6 -7.790 0.375 -2.714
41 HB ILE 6 HB ILE 6 -9.272 1.779 -4.193
42 1HG1 ILE 6 2HG1 ILE 6 -8.037 4.220 -3.025
43 2HG1 ILE 6 1HG1 ILE 6 -7.211 3.478 -4.391
44 1HG2 ILE 6 1HG2 ILE 6 -9.031 3.086 -1.520
45 2HG2 ILE 6 2HG2 ILE 6 -9.442 1.375 -1.628
46 3HG2 ILE 6 3HG2 ILE 6 -10.475 2.580 -2.397
47 1HD1 ILE 6 1HD1 ILE 6 -8.557 4.779 -5.608
48 2HD1 ILE 6 2HD1 ILE 6 -9.713 4.987 -4.293
49 3HD1 ILE 6 3HD1 ILE 6 -9.766 3.535 -5.291
50 H LEU 7 H LEU 7 -5.060 0.591 -3.768
51 HA LEU 7 HA LEU 7 -5.339 0.744 -6.641
52 1HB LEU 7 2HB LEU 7 -3.295 1.501 -5.435
53 2HB LEU 7 1HB LEU 7 -2.980 -0.167 -4.995
54 HG LEU 7 HG LEU 7 -3.216 0.657 -7.874
55 1HD1 LEU 7 1HD1 LEU 7 -1.505 2.048 -6.640
56 2HD1 LEU 7 2HD1 LEU 7 -0.902 1.102 -8.000
57 3HD1 LEU 7 3HD1 LEU 7 -0.628 0.546 -6.350
58 1HD2 LEU 7 1HD2 LEU 7 -2.418 -1.737 -6.358
59 2HD2 LEU 7 2HD2 LEU 7 -1.394 -1.329 -7.735
60 3HD2 LEU 7 3HD2 LEU 7 -3.123 -1.592 -7.968
61 HA PRO 8 HA PRO 8 -6.531 -3.469 -7.344
62 1HB PRO 8 2HB PRO 8 -4.814 -3.250 -9.761
63 2HB PRO 8 1HB PRO 8 -6.511 -3.721 -9.624
64 1HG PRO 8 2HG PRO 8 -5.837 -1.324 -10.570
65 2HG PRO 8 1HG PRO 8 -7.249 -1.527 -9.517
66 1HD PRO 8 2HD PRO 8 -4.541 -0.441 -8.872
67 2HD PRO 8 1HD PRO 8 -6.135 0.083 -8.292
68 H LYS 9 H LYS 9 -5.217 -4.239 -5.559
69 HA LYS 9 HA LYS 9 -3.603 -5.533 -4.611
70 1HB LYS 9 2HB LYS 9 -4.436 -6.836 -6.814
71 2HB LYS 9 1HB LYS 9 -2.734 -6.650 -7.214
72 1HG LYS 9 2HG LYS 9 -2.040 -8.015 -5.514
73 2HG LYS 9 1HG LYS 9 -3.465 -7.692 -4.525
74 1HD LYS 9 2HD LYS 9 -4.820 -8.986 -6.161
75 2HD LYS 9 1HD LYS 9 -3.327 -9.401 -7.006
76 1HE LYS 9 2HE LYS 9 -2.579 -10.759 -5.294
77 2HE LYS 9 1HE LYS 9 -3.566 -9.947 -4.081
78 1HZ LYS 9 1HZ LYS 9 -4.397 -11.947 -6.088
79 2HZ LYS 9 2HZ LYS 9 -5.527 -10.920 -5.361
80 3HZ LYS 9 3HZ LYS 9 -4.613 -11.978 -4.409
81 H CYS 10 H CYS 10 -2.297 -3.696 -4.099
82 HA CYS 10 HA CYS 10 -0.105 -3.065 -5.908
83 1HB CYS 10 2HB CYS 10 0.390 -1.235 -4.423
84 2HB CYS 10 1HB CYS 10 -1.346 -1.261 -4.703
85 H ALA 11 H ALA 11 -0.643 -4.469 -2.712
86 HA ALA 11 HA ALA 11 2.206 -5.160 -2.548
87 1HB ALA 11 1HB ALA 11 0.319 -5.630 -0.291
88 2HB ALA 11 2HB ALA 11 0.820 -3.979 -0.658
89 3HB ALA 11 3HB ALA 11 2.029 -5.200 -0.261
90 H ALA 12 H ALA 12 2.087 -7.326 -0.855
91 HA ALA 12 HA ALA 12 0.810 -9.362 -2.560
92 1HB ALA 12 1HB ALA 12 2.982 -9.961 -2.777
93 2HB ALA 12 2HB ALA 12 2.657 -10.796 -1.257
94 3HB ALA 12 3HB ALA 12 3.454 -9.222 -1.247
95 H ALA 13 H ALA 13 1.678 -8.598 0.801
96 HA ALA 13 HA ALA 13 -0.531 -10.347 1.671
97 1HB ALA 13 1HB ALA 13 1.956 -10.939 2.243
98 2HB ALA 13 2HB ALA 13 0.686 -11.134 3.452
99 3HB ALA 13 3HB ALA 13 1.740 -9.719 3.497
100 H ALA 14 H ALA 14 -0.666 -7.520 0.978
101 HA ALA 14 HA ALA 14 -1.594 -5.591 1.743
102 1HB ALA 14 1HB ALA 14 -2.539 -7.576 3.771
103 2HB ALA 14 2HB ALA 14 -3.453 -6.736 2.518
104 3HB ALA 14 3HB ALA 14 -2.916 -5.863 3.953
105 H ASN 15 H ASN 15 1.017 -5.529 2.103
106 HA ASN 15 HA ASN 15 1.755 -5.079 4.851
107 1HB ASN 15 2HB ASN 15 3.929 -4.320 3.819
108 2HB ASN 15 1HB ASN 15 3.456 -5.968 3.421
109 1HD2 ASN 15 1HD2 ASN 15 4.404 -6.221 1.492
110 2HD2 ASN 15 2HD2 ASN 15 4.077 -5.251 0.101
111 H VAL 16 H VAL 16 2.240 -3.158 5.824
112 HA VAL 16 HA VAL 16 0.972 -0.818 4.611
113 HB VAL 16 HB VAL 16 0.510 -1.844 7.006
114 1HG1 VAL 16 1HG1 VAL 16 1.678 -0.667 8.781
115 2HG1 VAL 16 2HG1 VAL 16 2.704 0.140 7.595
116 3HG1 VAL 16 3HG1 VAL 16 2.811 -1.607 7.811
117 1HG2 VAL 16 1HG2 VAL 16 -0.702 0.034 7.424
118 2HG2 VAL 16 2HG2 VAL 16 -0.298 0.338 5.734
119 3HG2 VAL 16 3HG2 VAL 16 0.628 1.119 7.017
120 H ALA 17 H ALA 17 3.954 -1.812 6.232
121 HA ALA 17 HA ALA 17 5.232 0.728 5.914
122 1HB ALA 17 1HB ALA 17 7.299 -0.889 6.408
123 2HB ALA 17 2HB ALA 17 5.989 -1.930 6.965
124 3HB ALA 17 3HB ALA 17 6.202 -0.327 7.668
125 H ALA 18 H ALA 18 4.740 -1.972 3.864
126 HA ALA 18 HA ALA 18 6.860 -1.020 2.052
127 1HB ALA 18 1HB ALA 18 7.335 -3.143 1.430
128 2HB ALA 18 2HB ALA 18 5.667 -3.688 1.609
129 3HB ALA 18 3HB ALA 18 6.690 -3.498 3.033
130 H HIS 19 H HIS 19 3.771 -0.427 2.454
131 HA HIS 19 HA HIS 19 2.855 -1.028 -0.239
132 1HB HIS 19 2HB HIS 19 0.905 -1.221 0.856
133 2HB HIS 19 1HB HIS 19 1.582 -0.488 2.303
134 HD2 HIS 19 2HD HIS 19 1.118 2.234 2.619
135 HE1 HIS 19 1HE HIS 19 -1.500 2.549 -0.688
136 HE2 HIS 19 2HE HIS 19 -0.454 3.785 1.260
137 H THR 20 H THR 20 3.158 1.890 1.803
138 HA THR 20 HA THR 20 2.549 3.829 -0.018
139 HB THR 20 HB THR 20 3.007 4.431 2.249
140 HG1 THR 20 1HG THR 20 4.095 6.254 1.867
141 1HG2 THR 20 1HG2 THR 20 5.642 4.560 2.742
142 2HG2 THR 20 2HG2 THR 20 5.571 3.073 1.797
143 3HG2 THR 20 3HG2 THR 20 4.605 3.233 3.264
144 H THR 21 H THR 21 5.398 1.843 0.024
145 HA THR 21 HA THR 21 7.226 3.309 -1.411
146 HB THR 21 HB THR 21 7.539 1.007 -0.455
147 HG1 THR 21 1HG THR 21 8.343 1.238 -3.160
148 1HG2 THR 21 1HG2 THR 21 6.578 -0.068 -3.070
149 2HG2 THR 21 2HG2 THR 21 5.497 0.064 -1.683
150 3HG2 THR 21 3HG2 THR 21 6.951 -0.929 -1.577
151 H HIS 22 H HIS 22 4.462 1.491 -2.643
152 HA HIS 22 HA HIS 22 5.041 2.467 -5.353
153 1HB HIS 22 2HB HIS 22 3.120 0.804 -5.918
154 2HB HIS 22 1HB HIS 22 4.715 0.171 -5.530
155 HD1 HIS 22 1HD HIS 22 4.588 -1.777 -4.052
156 HD2 HIS 22 2HD HIS 22 1.502 0.908 -3.273
157 HE1 HIS 22 1HE HIS 22 3.252 -2.805 -2.192
158 HE2 HIS 22 2HE HIS 22 1.520 -1.074 -1.618
159 H CYS 23 H CYS 23 2.631 2.477 -2.828
160 HA CYS 23 HA CYS 23 0.725 3.945 -4.421
161 1HB CYS 23 2HB CYS 23 0.804 2.670 -1.737
162 2HB CYS 23 1HB CYS 23 -0.358 3.956 -1.998
163 H PHE 24 H PHE 24 -0.368 5.822 -3.035
164 HA PHE 24 HA PHE 24 1.631 7.499 -1.740
165 1HB PHE 24 2HB PHE 24 1.096 9.433 -3.195
166 2HB PHE 24 1HB PHE 24 1.869 8.119 -4.077
167 HD1 PHE 24 1HD PHE 24 -1.167 10.072 -3.639
168 HD2 PHE 24 2HD PHE 24 0.595 6.765 -5.657
169 HE1 PHE 24 1HE PHE 24 -3.028 10.067 -5.250
170 HE2 PHE 24 2HE PHE 24 -1.261 6.756 -7.272
171 HZ PHE 24 HZ PHE 24 -3.076 8.409 -7.070
172 H LYS 25 H LYS 25 -0.768 6.120 -0.868
173 HA LYS 25 HA LYS 25 -2.573 6.472 0.470
174 1HB LYS 25 2HB LYS 25 -0.770 8.316 1.247
175 2HB LYS 25 1HB LYS 25 -2.071 9.381 0.736
176 1HG LYS 25 2HG LYS 25 -3.580 8.429 2.302
177 2HG LYS 25 1HG LYS 25 -2.462 7.116 2.673
178 1HD LYS 25 2HD LYS 25 -0.917 9.267 3.233
179 2HD LYS 25 1HD LYS 25 -2.515 9.894 3.646
180 1HE LYS 25 2HE LYS 25 -2.100 8.924 5.636
181 2HE LYS 25 1HE LYS 25 -2.631 7.461 4.808
182 1HZ LYS 25 1HZ LYS 25 -0.551 7.105 5.975
183 2HZ LYS 25 2HZ LYS 25 0.187 8.356 5.108
184 3HZ LYS 25 3HZ LYS 25 -0.319 6.954 4.305
Start of MODEL 16
1 1H ALA 1 1HT ALA 1 -1.097 3.716 7.109
2 2H ALA 1 2HT ALA 1 -2.756 3.382 7.395
3 3H ALA 1 3HT ALA 1 -2.154 3.433 5.788
4 HA ALA 1 HA ALA 1 -0.610 1.600 6.536
5 1HB ALA 1 1HB ALA 1 -0.801 1.249 8.754
6 2HB ALA 1 2HB ALA 1 -2.168 0.244 8.273
7 3HB ALA 1 3HB ALA 1 -2.439 1.898 8.824
8 H VAL 2 H VAL 2 -1.335 1.322 4.374
9 HA VAL 2 HA VAL 2 -2.602 0.475 2.670
10 HB VAL 2 HB VAL 2 -1.645 -1.555 3.737
11 1HG1 VAL 2 1HG1 VAL 2 -4.300 -1.609 5.155
12 2HG1 VAL 2 2HG1 VAL 2 -2.691 -1.566 5.874
13 3HG1 VAL 2 3HG1 VAL 2 -3.236 -3.008 5.019
14 1HG2 VAL 2 1HG2 VAL 2 -3.429 -1.383 1.728
15 2HG2 VAL 2 2HG2 VAL 2 -4.286 -2.481 2.812
16 3HG2 VAL 2 3HG2 VAL 2 -2.670 -2.892 2.237
17 H TYR 3 H TYR 3 -4.048 2.281 4.457
18 HA TYR 3 HA TYR 3 -6.735 1.171 4.577
19 1HB TYR 3 2HB TYR 3 -5.319 3.406 5.820
20 2HB TYR 3 1HB TYR 3 -6.932 3.844 5.269
21 HD1 TYR 3 1HD TYR 3 -5.022 1.644 7.522
22 HD2 TYR 3 2HD TYR 3 -8.889 2.976 6.349
23 HE1 TYR 3 1HE TYR 3 -5.982 0.603 9.531
24 HE2 TYR 3 2HE TYR 3 -9.861 1.940 8.356
25 HH TYR 3 HH TYR 3 -8.771 -0.278 9.993
26 H TYR 4 H TYR 4 -4.983 3.771 2.930
27 HA TYR 4 HA TYR 4 -7.299 4.229 1.195
28 1HB TYR 4 2HB TYR 4 -4.810 5.803 1.797
29 2HB TYR 4 1HB TYR 4 -5.758 6.143 0.352
30 HD1 TYR 4 1HD TYR 4 -8.290 6.599 0.724
31 HD2 TYR 4 2HD TYR 4 -5.366 6.827 3.805
32 HE1 TYR 4 1HE TYR 4 -9.804 8.014 2.048
33 HE2 TYR 4 2HE TYR 4 -6.872 8.242 5.138
34 HH TYR 4 HH TYR 4 -10.020 8.483 4.720
35 H CYS 5 H CYS 5 -5.530 1.852 1.054
36 HA CYS 5 HA CYS 5 -3.898 2.118 -1.275
37 1HB CYS 5 2HB CYS 5 -3.398 0.428 0.412
38 2HB CYS 5 1HB CYS 5 -4.956 -0.340 0.137
39 H ILE 6 H ILE 6 -5.795 3.210 -2.427
40 HA ILE 6 HA ILE 6 -8.008 1.756 -3.340
41 HB ILE 6 HB ILE 6 -8.160 3.434 -5.147
42 1HG1 ILE 6 2HG1 ILE 6 -6.365 5.368 -4.722
43 2HG1 ILE 6 1HG1 ILE 6 -5.381 3.993 -4.234
44 1HG2 ILE 6 1HG2 ILE 6 -8.883 5.100 -3.758
45 2HG2 ILE 6 2HG2 ILE 6 -7.467 4.995 -2.713
46 3HG2 ILE 6 3HG2 ILE 6 -8.737 3.778 -2.599
47 1HD1 ILE 6 1HD1 ILE 6 -5.474 4.893 -6.731
48 2HD1 ILE 6 2HD1 ILE 6 -6.823 3.758 -6.800
49 3HD1 ILE 6 3HD1 ILE 6 -5.218 3.193 -6.339
50 H LEU 7 H LEU 7 -4.692 1.672 -4.306
51 HA LEU 7 HA LEU 7 -4.852 0.838 -6.942
52 1HB LEU 7 2HB LEU 7 -2.830 1.243 -5.231
53 2HB LEU 7 1HB LEU 7 -2.859 -0.510 -5.208
54 HG LEU 7 HG LEU 7 -2.862 0.794 -7.874
55 1HD1 LEU 7 1HD1 LEU 7 -1.215 2.072 -6.459
56 2HD1 LEU 7 2HD1 LEU 7 -0.544 1.270 -7.880
57 3HD1 LEU 7 3HD1 LEU 7 -0.322 0.562 -6.280
58 1HD2 LEU 7 1HD2 LEU 7 -2.711 -1.766 -7.022
59 2HD2 LEU 7 2HD2 LEU 7 -0.999 -1.371 -7.172
60 3HD2 LEU 7 3HD2 LEU 7 -2.069 -1.197 -8.563
61 HA PRO 8 HA PRO 8 -6.806 -3.137 -6.617
62 1HB PRO 8 2HB PRO 8 -6.291 -4.076 -9.089
63 2HB PRO 8 1HB PRO 8 -7.445 -2.767 -8.804
64 1HG PRO 8 2HG PRO 8 -4.603 -2.618 -9.731
65 2HG PRO 8 1HG PRO 8 -6.020 -1.732 -10.323
66 1HD PRO 8 2HD PRO 8 -4.202 -0.665 -8.592
67 2HD PRO 8 1HD PRO 8 -5.909 -0.181 -8.632
68 H LYS 9 H LYS 9 -5.311 -3.967 -5.026
69 HA LYS 9 HA LYS 9 -3.815 -5.481 -4.224
70 1HB LYS 9 2HB LYS 9 -4.367 -6.604 -6.960
71 2HB LYS 9 1HB LYS 9 -3.242 -7.389 -5.860
72 1HG LYS 9 2HG LYS 9 -5.370 -7.081 -4.233
73 2HG LYS 9 1HG LYS 9 -6.176 -7.260 -5.792
74 1HD LYS 9 2HD LYS 9 -5.160 -9.372 -6.173
75 2HD LYS 9 1HD LYS 9 -4.049 -9.155 -4.818
76 1HE LYS 9 2HE LYS 9 -5.563 -10.468 -3.766
77 2HE LYS 9 1HE LYS 9 -6.370 -8.921 -3.512
78 1HZ LYS 9 1HZ LYS 9 -6.941 -10.645 -5.851
79 2HZ LYS 9 2HZ LYS 9 -7.850 -9.343 -5.269
80 3HZ LYS 9 3HZ LYS 9 -7.786 -10.787 -4.393
81 H CYS 10 H CYS 10 -2.441 -3.413 -4.455
82 HA CYS 10 HA CYS 10 -0.499 -3.170 -6.461
83 1HB CYS 10 2HB CYS 10 0.676 -1.692 -4.909
84 2HB CYS 10 1HB CYS 10 -1.054 -1.361 -4.886
85 H ALA 11 H ALA 11 -0.472 -4.913 -3.389
86 HA ALA 11 HA ALA 11 1.826 -6.453 -4.346
87 1HB ALA 11 1HB ALA 11 1.749 -5.361 -1.541
88 2HB ALA 11 2HB ALA 11 2.621 -4.581 -2.861
89 3HB ALA 11 3HB ALA 11 3.074 -6.205 -2.343
90 H ALA 12 H ALA 12 -0.602 -6.081 -1.776
91 HA ALA 12 HA ALA 12 -1.912 -7.588 -0.686
92 1HB ALA 12 1HB ALA 12 -2.797 -9.359 -1.891
93 2HB ALA 12 2HB ALA 12 -1.289 -9.655 -2.757
94 3HB ALA 12 3HB ALA 12 -2.276 -8.251 -3.162
95 H ALA 13 H ALA 13 -0.049 -7.500 0.861
96 HA ALA 13 HA ALA 13 0.731 -10.204 1.529
97 1HB ALA 13 1HB ALA 13 2.674 -8.184 0.547
98 2HB ALA 13 2HB ALA 13 2.664 -9.937 0.351
99 3HB ALA 13 3HB ALA 13 3.165 -9.224 1.884
100 H ALA 14 H ALA 14 -0.879 -7.944 2.620
101 HA ALA 14 HA ALA 14 -1.321 -6.932 4.610
102 1HB ALA 14 1HB ALA 14 -0.916 -9.461 5.183
103 2HB ALA 14 2HB ALA 14 -1.124 -8.264 6.463
104 3HB ALA 14 3HB ALA 14 0.493 -8.819 6.029
105 H ASN 15 H ASN 15 1.155 -6.155 3.081
106 HA ASN 15 HA ASN 15 2.819 -5.122 5.260
107 1HB ASN 15 2HB ASN 15 4.304 -4.406 3.288
108 2HB ASN 15 1HB ASN 15 4.191 -6.128 3.630
109 1HD2 ASN 15 1HD2 ASN 15 4.886 -6.467 1.463
110 2HD2 ASN 15 2HD2 ASN 15 3.762 -6.353 0.156
111 H VAL 16 H VAL 16 2.674 -3.140 5.910
112 HA VAL 16 HA VAL 16 1.048 -1.245 4.384
113 HB VAL 16 HB VAL 16 1.617 -1.716 7.241
114 1HG1 VAL 16 1HG1 VAL 16 0.846 0.707 7.716
115 2HG1 VAL 16 2HG1 VAL 16 1.452 1.054 6.097
116 3HG1 VAL 16 3HG1 VAL 16 2.543 0.422 7.330
117 1HG2 VAL 16 1HG2 VAL 16 -0.742 -0.846 7.397
118 2HG2 VAL 16 2HG2 VAL 16 -0.523 -2.298 6.420
119 3HG2 VAL 16 3HG2 VAL 16 -0.730 -0.732 5.638
120 H ALA 17 H ALA 17 3.927 -1.047 6.492
121 HA ALA 17 HA ALA 17 4.858 1.406 5.602
122 1HB ALA 17 1HB ALA 17 6.683 -0.831 6.440
123 2HB ALA 17 2HB ALA 17 5.662 0.041 7.584
124 3HB ALA 17 3HB ALA 17 6.898 0.904 6.669
125 H ALA 18 H ALA 18 5.068 -1.711 4.091
126 HA ALA 18 HA ALA 18 7.039 -0.783 2.151
127 1HB ALA 18 1HB ALA 18 6.988 -3.122 3.250
128 2HB ALA 18 2HB ALA 18 7.340 -2.993 1.526
129 3HB ALA 18 3HB ALA 18 5.730 -3.471 2.065
130 H HIS 19 H HIS 19 3.673 -0.856 2.497
131 HA HIS 19 HA HIS 19 3.065 -1.207 -0.297
132 1HB HIS 19 2HB HIS 19 1.112 -1.814 0.628
133 2HB HIS 19 1HB HIS 19 1.588 -1.151 2.184
134 HD2 HIS 19 2HD HIS 19 0.684 1.424 2.738
135 HE1 HIS 19 1HE HIS 19 -1.830 1.654 -0.655
136 HE2 HIS 19 2HE HIS 19 -1.076 2.832 1.457
137 H THR 20 H THR 20 2.764 1.512 2.003
138 HA THR 20 HA THR 20 1.909 3.491 0.338
139 HB THR 20 HB THR 20 2.169 3.955 2.658
140 HG1 THR 20 1HG THR 20 2.609 5.706 1.128
141 1HG2 THR 20 1HG2 THR 20 5.126 4.090 2.583
142 2HG2 THR 20 2HG2 THR 20 4.370 2.504 2.742
143 3HG2 THR 20 3HG2 THR 20 4.036 3.765 3.930
144 H THR 21 H THR 21 5.061 2.019 0.337
145 HA THR 21 HA THR 21 6.657 3.906 -0.854
146 HB THR 21 HB THR 21 7.305 1.581 -0.127
147 HG1 THR 21 1HG THR 21 9.055 1.987 -1.182
148 1HG2 THR 21 1HG2 THR 21 6.669 0.701 -2.911
149 2HG2 THR 21 2HG2 THR 21 5.520 0.472 -1.592
150 3HG2 THR 21 3HG2 THR 21 7.118 -0.269 -1.507
151 H HIS 22 H HIS 22 4.277 1.811 -2.404
152 HA HIS 22 HA HIS 22 4.771 3.159 -4.968
153 1HB HIS 22 2HB HIS 22 3.155 1.274 -5.780
154 2HB HIS 22 1HB HIS 22 4.830 0.882 -5.412
155 HD1 HIS 22 1HD HIS 22 5.047 -1.184 -4.113
156 HD2 HIS 22 2HD HIS 22 1.487 0.790 -3.228
157 HE1 HIS 22 1HE HIS 22 3.882 -2.621 -2.415
158 HE2 HIS 22 2HE HIS 22 1.836 -1.309 -1.764
159 H CYS 23 H CYS 23 2.300 2.481 -2.591
160 HA CYS 23 HA CYS 23 0.232 3.788 -4.114
161 1HB CYS 23 2HB CYS 23 0.442 2.276 -1.562
162 2HB CYS 23 1HB CYS 23 -0.913 3.370 -1.756
163 H PHE 24 H PHE 24 -0.323 5.868 -3.961
164 HA PHE 24 HA PHE 24 1.023 7.520 -1.952
165 1HB PHE 24 2HB PHE 24 0.196 9.422 -3.414
166 2HB PHE 24 1HB PHE 24 1.374 8.343 -4.155
167 HD1 PHE 24 1HD PHE 24 0.803 6.984 -6.028
168 HD2 PHE 24 2HD PHE 24 -2.165 9.327 -4.076
169 HE1 PHE 24 1HE PHE 24 -0.734 6.595 -7.908
170 HE2 PHE 24 2HE PHE 24 -3.709 8.941 -5.953
171 HZ PHE 24 HZ PHE 24 -2.994 7.573 -7.872
172 H LYS 25 H LYS 25 -1.253 5.848 -1.268
173 HA LYS 25 HA LYS 25 -3.164 5.948 -0.038
174 1HB LYS 25 2HB LYS 25 -2.401 8.858 0.264
175 2HB LYS 25 1HB LYS 25 -3.597 8.011 1.236
176 1HG LYS 25 2HG LYS 25 -1.977 6.713 2.309
177 2HG LYS 25 1HG LYS 25 -0.750 7.087 1.098
178 1HD LYS 25 2HD LYS 25 -0.359 9.197 1.954
179 2HD LYS 25 1HD LYS 25 -1.950 9.296 2.710
180 1HE LYS 25 2HE LYS 25 -0.802 8.869 4.598
181 2HE LYS 25 1HE LYS 25 -0.901 7.198 4.046
182 1HZ LYS 25 1HZ LYS 25 1.272 7.309 3.169
183 2HZ LYS 25 2HZ LYS 25 1.364 7.985 4.718
184 3HZ LYS 25 3HZ LYS 25 1.357 8.989 3.356
Start of MODEL 17
1 1H ALA 1 1HT ALA 1 -1.634 4.612 6.530
2 2H ALA 1 2HT ALA 1 -3.246 4.044 6.691
3 3H ALA 1 3HT ALA 1 -2.474 4.022 5.158
4 HA ALA 1 HA ALA 1 -0.823 2.498 6.088
5 1HB ALA 1 1HB ALA 1 -0.809 2.519 8.340
6 2HB ALA 1 2HB ALA 1 -2.049 1.279 8.158
7 3HB ALA 1 3HB ALA 1 -2.515 2.954 8.453
8 H VAL 2 H VAL 2 -1.669 1.777 4.066
9 HA VAL 2 HA VAL 2 -2.930 0.500 2.650
10 HB VAL 2 HB VAL 2 -1.592 -1.180 3.891
11 1HG1 VAL 2 1HG1 VAL 2 -4.063 -1.350 5.603
12 2HG1 VAL 2 2HG1 VAL 2 -2.419 -0.966 6.112
13 3HG1 VAL 2 3HG1 VAL 2 -2.813 -2.594 5.561
14 1HG2 VAL 2 1HG2 VAL 2 -3.560 -1.593 2.103
15 2HG2 VAL 2 2HG2 VAL 2 -4.142 -2.590 3.435
16 3HG2 VAL 2 3HG2 VAL 2 -2.543 -2.880 2.750
17 H TYR 3 H TYR 3 -4.479 2.361 4.273
18 HA TYR 3 HA TYR 3 -7.013 0.890 4.543
19 1HB TYR 3 2HB TYR 3 -5.804 3.146 6.000
20 2HB TYR 3 1HB TYR 3 -7.510 3.353 5.621
21 HD1 TYR 3 1HD TYR 3 -5.712 0.203 6.440
22 HD2 TYR 3 2HD TYR 3 -8.546 3.112 7.706
23 HE1 TYR 3 1HE TYR 3 -6.306 -1.219 8.357
24 HE2 TYR 3 2HE TYR 3 -9.147 1.700 9.627
25 HH TYR 3 HH TYR 3 -8.134 -1.556 9.904
26 H TYR 4 H TYR 4 -5.799 4.077 3.501
27 HA TYR 4 HA TYR 4 -8.138 4.611 1.933
28 1HB TYR 4 2HB TYR 4 -5.489 5.996 2.283
29 2HB TYR 4 1HB TYR 4 -6.648 6.536 1.073
30 HD1 TYR 4 1HD TYR 4 -5.604 6.869 4.425
31 HD2 TYR 4 2HD TYR 4 -9.072 6.991 1.963
32 HE1 TYR 4 1HE TYR 4 -6.771 8.187 6.142
33 HE2 TYR 4 2HE TYR 4 -10.247 8.311 3.672
34 HH TYR 4 HH TYR 4 -10.002 8.580 6.281
35 H CYS 5 H CYS 5 -5.178 2.959 1.407
36 HA CYS 5 HA CYS 5 -4.670 3.310 -1.280
37 1HB CYS 5 2HB CYS 5 -3.178 2.018 0.101
38 2HB CYS 5 1HB CYS 5 -4.425 0.819 0.417
39 H ILE 6 H ILE 6 -6.113 3.261 -2.876
40 HA ILE 6 HA ILE 6 -8.286 1.300 -2.808
41 HB ILE 6 HB ILE 6 -9.157 2.606 -4.782
42 1HG1 ILE 6 2HG1 ILE 6 -7.156 4.698 -3.933
43 2HG1 ILE 6 1HG1 ILE 6 -6.849 3.595 -5.270
44 1HG2 ILE 6 1HG2 ILE 6 -9.743 4.634 -3.316
45 2HG2 ILE 6 2HG2 ILE 6 -8.806 3.819 -2.065
46 3HG2 ILE 6 3HG2 ILE 6 -10.224 3.032 -2.756
47 1HD1 ILE 6 1HD1 ILE 6 -7.984 4.908 -6.634
48 2HD1 ILE 6 2HD1 ILE 6 -8.235 6.041 -5.307
49 3HD1 ILE 6 3HD1 ILE 6 -9.419 4.771 -5.618
50 H LEU 7 H LEU 7 -5.528 0.540 -3.411
51 HA LEU 7 HA LEU 7 -5.909 -0.440 -6.164
52 1HB LEU 7 2HB LEU 7 -4.017 1.234 -5.738
53 2HB LEU 7 1HB LEU 7 -3.231 -0.056 -4.850
54 HG LEU 7 HG LEU 7 -4.050 -0.283 -7.745
55 1HD1 LEU 7 1HD1 LEU 7 -1.247 0.127 -6.765
56 2HD1 LEU 7 2HD1 LEU 7 -2.290 1.490 -7.171
57 3HD1 LEU 7 3HD1 LEU 7 -1.888 0.292 -8.401
58 1HD2 LEU 7 1HD2 LEU 7 -2.687 -2.048 -5.785
59 2HD2 LEU 7 2HD2 LEU 7 -2.116 -2.070 -7.454
60 3HD2 LEU 7 3HD2 LEU 7 -3.800 -2.452 -7.093
61 HA PRO 8 HA PRO 8 -5.781 -4.190 -3.548
62 1HB PRO 8 2HB PRO 8 -7.488 -5.650 -5.022
63 2HB PRO 8 1HB PRO 8 -8.054 -4.409 -3.899
64 1HG PRO 8 2HG PRO 8 -7.727 -4.268 -6.870
65 2HG PRO 8 1HG PRO 8 -9.056 -3.665 -5.861
66 1HD PRO 8 2HD PRO 8 -7.042 -2.081 -6.823
67 2HD PRO 8 1HD PRO 8 -7.937 -1.736 -5.330
68 H LYS 9 H LYS 9 -3.598 -3.669 -5.094
69 HA LYS 9 HA LYS 9 -2.648 -6.177 -5.803
70 1HB LYS 9 2HB LYS 9 -4.364 -5.348 -7.764
71 2HB LYS 9 1HB LYS 9 -2.824 -4.767 -8.381
72 1HG LYS 9 2HG LYS 9 -1.911 -7.053 -8.129
73 2HG LYS 9 1HG LYS 9 -3.516 -7.602 -7.641
74 1HD LYS 9 2HD LYS 9 -4.102 -6.302 -9.944
75 2HD LYS 9 1HD LYS 9 -2.481 -6.896 -10.306
76 1HE LYS 9 2HE LYS 9 -4.502 -8.741 -9.109
77 2HE LYS 9 1HE LYS 9 -4.574 -8.368 -10.831
78 1HZ LYS 9 1HZ LYS 9 -2.214 -9.482 -9.412
79 2HZ LYS 9 2HZ LYS 9 -2.307 -9.151 -11.068
80 3HZ LYS 9 3HZ LYS 9 -3.275 -10.362 -10.393
81 H CYS 10 H CYS 10 -1.779 -3.867 -4.416
82 HA CYS 10 HA CYS 10 0.448 -2.911 -6.079
83 1HB CYS 10 2HB CYS 10 0.627 -1.025 -4.598
84 2HB CYS 10 1HB CYS 10 -1.061 -1.193 -5.062
85 H ALA 11 H ALA 11 -0.347 -4.292 -2.925
86 HA ALA 11 HA ALA 11 2.492 -4.685 -2.348
87 1HB ALA 11 1HB ALA 11 0.214 -5.422 -0.536
88 2HB ALA 11 2HB ALA 11 0.827 -3.772 -0.645
89 3HB ALA 11 3HB ALA 11 1.891 -5.076 -0.113
90 H ALA 12 H ALA 12 2.440 -6.943 -0.804
91 HA ALA 12 HA ALA 12 1.878 -9.016 -2.810
92 1HB ALA 12 1HB ALA 12 3.597 -10.333 -1.793
93 2HB ALA 12 2HB ALA 12 3.729 -9.209 -0.440
94 3HB ALA 12 3HB ALA 12 4.233 -8.709 -2.054
95 H ALA 13 H ALA 13 1.490 -8.213 0.607
96 HA ALA 13 HA ALA 13 -0.756 -10.073 0.745
97 1HB ALA 13 1HB ALA 13 1.357 -11.235 1.530
98 2HB ALA 13 2HB ALA 13 -0.002 -11.233 2.654
99 3HB ALA 13 3HB ALA 13 1.344 -10.120 2.896
100 H ALA 14 H ALA 14 -1.034 -7.393 0.572
101 HA ALA 14 HA ALA 14 -2.033 -5.600 1.552
102 1HB ALA 14 1HB ALA 14 -3.737 -6.089 2.948
103 2HB ALA 14 2HB ALA 14 -2.714 -7.014 4.046
104 3HB ALA 14 3HB ALA 14 -3.304 -7.752 2.557
105 H ASN 15 H ASN 15 0.681 -5.662 1.847
106 HA ASN 15 HA ASN 15 1.416 -5.238 4.603
107 1HB ASN 15 2HB ASN 15 2.823 -5.258 1.984
108 2HB ASN 15 1HB ASN 15 3.547 -4.296 3.270
109 1HD2 ASN 15 1HD2 ASN 15 3.553 -5.524 5.447
110 2HD2 ASN 15 2HD2 ASN 15 4.145 -7.145 5.370
111 H VAL 16 H VAL 16 1.908 -3.343 5.600
112 HA VAL 16 HA VAL 16 0.752 -0.956 4.363
113 HB VAL 16 HB VAL 16 0.189 -1.985 6.739
114 1HG1 VAL 16 1HG1 VAL 16 2.468 -1.810 7.615
115 2HG1 VAL 16 2HG1 VAL 16 1.332 -0.842 8.552
116 3HG1 VAL 16 3HG1 VAL 16 2.415 -0.060 7.401
117 1HG2 VAL 16 1HG2 VAL 16 0.391 0.981 6.735
118 2HG2 VAL 16 2HG2 VAL 16 -0.971 -0.062 7.150
119 3HG2 VAL 16 3HG2 VAL 16 -0.548 0.205 5.459
120 H ALA 17 H ALA 17 3.651 -2.051 6.072
121 HA ALA 17 HA ALA 17 5.016 0.447 5.826
122 1HB ALA 17 1HB ALA 17 6.107 -2.295 6.449
123 2HB ALA 17 2HB ALA 17 5.533 -1.114 7.627
124 3HB ALA 17 3HB ALA 17 6.966 -0.769 6.657
125 H ALA 18 H ALA 18 4.574 -2.277 3.760
126 HA ALA 18 HA ALA 18 6.749 -1.354 2.008
127 1HB ALA 18 1HB ALA 18 6.838 -3.714 2.759
128 2HB ALA 18 2HB ALA 18 6.749 -3.536 1.007
129 3HB ALA 18 3HB ALA 18 5.314 -4.001 1.919
130 H HIS 19 H HIS 19 3.660 -0.630 2.347
131 HA HIS 19 HA HIS 19 2.837 -1.041 -0.413
132 1HB HIS 19 2HB HIS 19 0.843 -1.256 0.598
133 2HB HIS 19 1HB HIS 19 1.472 -0.618 2.110
134 HD2 HIS 19 2HD HIS 19 1.049 2.093 2.556
135 HE1 HIS 19 1HE HIS 19 -1.402 2.649 -0.846
136 HE2 HIS 19 2HE HIS 19 -0.696 3.618 1.392
137 H THR 20 H THR 20 3.106 1.732 1.829
138 HA THR 20 HA THR 20 2.634 3.797 0.108
139 HB THR 20 HB THR 20 3.027 4.133 2.487
140 HG1 THR 20 1HG THR 20 3.863 6.076 2.226
141 1HG2 THR 20 1HG2 THR 20 5.680 4.424 2.914
142 2HG2 THR 20 2HG2 THR 20 5.655 2.995 1.883
143 3HG2 THR 20 3HG2 THR 20 4.737 3.012 3.388
144 H THR 21 H THR 21 5.436 1.743 0.164
145 HA THR 21 HA THR 21 7.364 3.254 -1.079
146 HB THR 21 HB THR 21 7.581 0.892 -0.255
147 HG1 THR 21 1HG THR 21 8.545 1.476 -2.854
148 1HG2 THR 21 1HG2 THR 21 6.724 0.018 -2.982
149 2HG2 THR 21 2HG2 THR 21 5.595 0.058 -1.628
150 3HG2 THR 21 3HG2 THR 21 7.034 -0.958 -1.546
151 H HIS 22 H HIS 22 4.632 1.581 -2.561
152 HA HIS 22 HA HIS 22 5.370 2.714 -5.171
153 1HB HIS 22 2HB HIS 22 3.479 1.117 -5.954
154 2HB HIS 22 1HB HIS 22 5.032 0.430 -5.493
155 HD1 HIS 22 1HD HIS 22 4.728 -1.627 -4.200
156 HD2 HIS 22 2HD HIS 22 1.719 1.130 -3.372
157 HE1 HIS 22 1HE HIS 22 3.253 -2.727 -2.491
158 HE2 HIS 22 2HE HIS 22 1.577 -0.959 -1.864
159 H CYS 23 H CYS 23 2.848 2.623 -2.767
160 HA CYS 23 HA CYS 23 1.037 4.205 -4.365
161 1HB CYS 23 2HB CYS 23 0.964 2.760 -1.770
162 2HB CYS 23 1HB CYS 23 -0.170 4.075 -2.004
163 H PHE 24 H PHE 24 -0.113 5.997 -2.899
164 HA PHE 24 HA PHE 24 1.928 7.606 -1.542
165 1HB PHE 24 2HB PHE 24 0.974 9.634 -2.753
166 2HB PHE 24 1HB PHE 24 1.980 8.554 -3.712
167 HD1 PHE 24 1HD PHE 24 1.143 7.512 -5.638
168 HD2 PHE 24 2HD PHE 24 -1.524 9.476 -2.967
169 HE1 PHE 24 1HE PHE 24 -0.668 7.285 -7.287
170 HE2 PHE 24 2HE PHE 24 -3.342 9.251 -4.610
171 HZ PHE 24 HZ PHE 24 -2.914 8.154 -6.774
172 H LYS 25 H LYS 25 -0.306 6.033 -0.560
173 HA LYS 25 HA LYS 25 -1.979 6.174 0.974
174 1HB LYS 25 2HB LYS 25 -0.170 7.999 1.758
175 2HB LYS 25 1HB LYS 25 -1.538 9.065 1.471
176 1HG LYS 25 2HG LYS 25 -2.898 7.664 2.986
177 2HG LYS 25 1HG LYS 25 -1.460 6.703 3.332
178 1HD LYS 25 2HD LYS 25 -0.504 9.178 3.808
179 2HD LYS 25 1HD LYS 25 -2.199 9.410 4.242
180 1HE LYS 25 2HE LYS 25 -2.099 7.913 5.984
181 2HE LYS 25 1HE LYS 25 -0.759 7.014 5.274
182 1HZ LYS 25 1HZ LYS 25 0.728 8.808 5.836
183 2HZ LYS 25 2HZ LYS 25 -0.092 8.303 7.227
184 3HZ LYS 25 3HZ LYS 25 -0.549 9.734 6.450
Start of MODEL 18
1 1H ALA 1 1HT ALA 1 -1.742 5.450 4.633
2 2H ALA 1 2HT ALA 1 -2.925 4.797 3.578
3 3H ALA 1 3HT ALA 1 -1.268 4.767 3.135
4 HA ALA 1 HA ALA 1 -0.743 3.192 4.693
5 1HB ALA 1 1HB ALA 1 -1.839 2.819 6.632
6 2HB ALA 1 2HB ALA 1 -3.432 3.000 5.895
7 3HB ALA 1 3HB ALA 1 -2.485 4.428 6.314
8 H VAL 2 H VAL 2 -2.279 0.996 5.233
9 HA VAL 2 HA VAL 2 -2.767 -0.011 2.580
10 HB VAL 2 HB VAL 2 -1.659 -1.417 4.262
11 1HG1 VAL 2 1HG1 VAL 2 -4.173 -1.984 5.702
12 2HG1 VAL 2 2HG1 VAL 2 -3.397 -0.441 6.057
13 3HG1 VAL 2 3HG1 VAL 2 -2.510 -1.948 6.287
14 1HG2 VAL 2 1HG2 VAL 2 -3.440 -2.214 2.408
15 2HG2 VAL 2 2HG2 VAL 2 -4.178 -2.899 3.857
16 3HG2 VAL 2 3HG2 VAL 2 -2.523 -3.328 3.423
17 H TYR 3 H TYR 3 -4.682 0.922 5.365
18 HA TYR 3 HA TYR 3 -7.142 -0.173 4.471
19 1HB TYR 3 2HB TYR 3 -6.323 1.815 6.546
20 2HB TYR 3 1HB TYR 3 -8.019 1.746 6.079
21 HD1 TYR 3 1HD TYR 3 -6.011 0.776 8.578
22 HD2 TYR 3 2HD TYR 3 -8.640 -1.012 5.751
23 HE1 TYR 3 1HE TYR 3 -6.344 -1.126 10.100
24 HE2 TYR 3 2HE TYR 3 -8.980 -2.920 7.265
25 HH TYR 3 HH TYR 3 -7.428 -3.979 9.269
26 H TYR 4 H TYR 4 -5.456 2.826 3.870
27 HA TYR 4 HA TYR 4 -7.746 3.869 2.368
28 1HB TYR 4 2HB TYR 4 -5.278 5.112 3.528
29 2HB TYR 4 1HB TYR 4 -6.118 5.915 2.207
30 HD1 TYR 4 1HD TYR 4 -5.785 5.939 5.610
31 HD2 TYR 4 2HD TYR 4 -8.841 5.858 2.650
32 HE1 TYR 4 1HE TYR 4 -7.363 6.922 7.220
33 HE2 TYR 4 2HE TYR 4 -10.427 6.842 4.252
34 HH TYR 4 HH TYR 4 -9.458 8.229 7.183
35 H CYS 5 H CYS 5 -5.858 1.661 1.523
36 HA CYS 5 HA CYS 5 -4.447 2.813 -0.730
37 1HB CYS 5 2HB CYS 5 -3.332 1.005 0.374
38 2HB CYS 5 1HB CYS 5 -4.760 -0.017 0.282
39 H ILE 6 H ILE 6 -5.594 3.391 -2.454
40 HA ILE 6 HA ILE 6 -7.995 1.885 -3.177
41 HB ILE 6 HB ILE 6 -8.462 3.717 -4.742
42 1HG1 ILE 6 2HG1 ILE 6 -6.726 5.753 -3.941
43 2HG1 ILE 6 1HG1 ILE 6 -5.680 4.359 -4.183
44 1HG2 ILE 6 1HG2 ILE 6 -8.999 5.398 -3.105
45 2HG2 ILE 6 2HG2 ILE 6 -7.795 4.750 -1.990
46 3HG2 ILE 6 3HG2 ILE 6 -9.229 3.802 -2.391
47 1HD1 ILE 6 1HD1 ILE 6 -6.088 4.270 -6.424
48 2HD1 ILE 6 2HD1 ILE 6 -6.238 6.005 -6.141
49 3HD1 ILE 6 3HD1 ILE 6 -7.685 5.006 -6.275
50 H LEU 7 H LEU 7 -5.432 0.670 -3.592
51 HA LEU 7 HA LEU 7 -5.541 0.360 -6.510
52 1HB LEU 7 2HB LEU 7 -3.565 1.764 -5.619
53 2HB LEU 7 1HB LEU 7 -2.941 0.243 -5.011
54 HG LEU 7 HG LEU 7 -3.554 0.813 -7.911
55 1HD1 LEU 7 1HD1 LEU 7 -0.854 0.560 -6.609
56 2HD1 LEU 7 2HD1 LEU 7 -1.642 2.108 -6.914
57 3HD1 LEU 7 3HD1 LEU 7 -1.223 1.051 -8.262
58 1HD2 LEU 7 1HD2 LEU 7 -2.452 -1.563 -6.451
59 2HD2 LEU 7 2HD2 LEU 7 -2.086 -1.276 -8.153
60 3HD2 LEU 7 3HD2 LEU 7 -3.758 -1.495 -7.634
61 HA PRO 8 HA PRO 8 -5.963 -3.736 -4.401
62 1HB PRO 8 2HB PRO 8 -7.725 -4.302 -6.680
63 2HB PRO 8 1HB PRO 8 -8.064 -4.404 -4.950
64 1HG PRO 8 2HG PRO 8 -9.148 -2.493 -6.506
65 2HG PRO 8 1HG PRO 8 -8.716 -2.199 -4.811
66 1HD PRO 8 2HD PRO 8 -7.235 -1.439 -7.304
67 2HD PRO 8 1HD PRO 8 -7.509 -0.493 -5.825
68 H LYS 9 H LYS 9 -3.662 -3.288 -5.675
69 HA LYS 9 HA LYS 9 -2.922 -5.694 -6.787
70 1HB LYS 9 2HB LYS 9 -4.401 -4.220 -8.666
71 2HB LYS 9 1HB LYS 9 -2.723 -4.047 -9.161
72 1HG LYS 9 2HG LYS 9 -2.756 -6.068 -10.051
73 2HG LYS 9 1HG LYS 9 -3.177 -6.772 -8.488
74 1HD LYS 9 2HD LYS 9 -5.568 -5.738 -9.266
75 2HD LYS 9 1HD LYS 9 -4.867 -6.190 -10.822
76 1HE LYS 9 2HE LYS 9 -5.048 -8.039 -8.448
77 2HE LYS 9 1HE LYS 9 -6.247 -7.973 -9.739
78 1HZ LYS 9 1HZ LYS 9 -3.428 -8.359 -10.456
79 2HZ LYS 9 2HZ LYS 9 -4.823 -8.915 -11.235
80 3HZ LYS 9 3HZ LYS 9 -4.287 -9.673 -9.822
81 H CYS 10 H CYS 10 -1.904 -3.753 -5.021
82 HA CYS 10 HA CYS 10 0.483 -2.775 -6.439
83 1HB CYS 10 2HB CYS 10 0.735 -1.120 -4.730
84 2HB CYS 10 1HB CYS 10 -0.948 -1.089 -5.237
85 H ALA 11 H ALA 11 -0.622 -4.514 -3.573
86 HA ALA 11 HA ALA 11 2.019 -5.778 -3.400
87 1HB ALA 11 1HB ALA 11 0.711 -4.127 -1.338
88 2HB ALA 11 2HB ALA 11 2.421 -4.459 -1.614
89 3HB ALA 11 3HB ALA 11 1.415 -5.643 -0.778
90 H ALA 12 H ALA 12 1.722 -7.508 -1.411
91 HA ALA 12 HA ALA 12 -0.845 -8.822 -1.481
92 1HB ALA 12 1HB ALA 12 1.333 -10.596 -2.419
93 2HB ALA 12 2HB ALA 12 0.667 -9.450 -3.582
94 3HB ALA 12 3HB ALA 12 -0.391 -10.619 -2.792
95 H ALA 13 H ALA 13 0.802 -7.727 0.575
96 HA ALA 13 HA ALA 13 1.257 -10.163 2.154
97 1HB ALA 13 1HB ALA 13 3.172 -7.984 1.584
98 2HB ALA 13 2HB ALA 13 3.458 -9.694 1.907
99 3HB ALA 13 3HB ALA 13 3.127 -8.588 3.241
100 H ALA 14 H ALA 14 -0.700 -7.679 1.880
101 HA ALA 14 HA ALA 14 -1.994 -6.414 3.262
102 1HB ALA 14 1HB ALA 14 -1.451 -8.911 4.754
103 2HB ALA 14 2HB ALA 14 -2.982 -8.213 4.226
104 3HB ALA 14 3HB ALA 14 -2.169 -7.578 5.656
105 H ASN 15 H ASN 15 0.957 -5.922 3.231
106 HA ASN 15 HA ASN 15 1.310 -4.751 5.901
107 1HB ASN 15 2HB ASN 15 3.714 -4.431 5.027
108 2HB ASN 15 1HB ASN 15 3.198 -6.064 5.426
109 1HD2 ASN 15 1HD2 ASN 15 4.893 -6.802 4.061
110 2HD2 ASN 15 2HD2 ASN 15 4.687 -6.834 2.346
111 H VAL 16 H VAL 16 1.993 -2.621 6.141
112 HA VAL 16 HA VAL 16 1.080 -0.873 3.979
113 HB VAL 16 HB VAL 16 0.260 -0.839 6.468
114 1HG1 VAL 16 1HG1 VAL 16 1.407 0.803 7.858
115 2HG1 VAL 16 2HG1 VAL 16 2.675 0.956 6.643
116 3HG1 VAL 16 3HG1 VAL 16 2.451 -0.571 7.498
117 1HG2 VAL 16 1HG2 VAL 16 -0.547 1.331 6.134
118 2HG2 VAL 16 2HG2 VAL 16 -0.273 0.715 4.504
119 3HG2 VAL 16 3HG2 VAL 16 0.888 1.823 5.236
120 H ALA 17 H ALA 17 3.774 -1.279 6.242
121 HA ALA 17 HA ALA 17 5.358 0.859 5.454
122 1HB ALA 17 1HB ALA 17 6.673 -1.723 6.134
123 2HB ALA 17 2HB ALA 17 5.647 -0.950 7.340
124 3HB ALA 17 3HB ALA 17 7.040 -0.089 6.685
125 H ALA 18 H ALA 18 4.680 -2.107 3.810
126 HA ALA 18 HA ALA 18 6.849 -1.644 1.895
127 1HB ALA 18 1HB ALA 18 5.274 -4.011 2.716
128 2HB ALA 18 2HB ALA 18 6.989 -3.864 2.330
129 3HB ALA 18 3HB ALA 18 5.797 -3.938 1.033
130 H HIS 19 H HIS 19 3.468 -1.229 2.271
131 HA HIS 19 HA HIS 19 2.872 -1.306 -0.550
132 1HB HIS 19 2HB HIS 19 0.835 -1.721 0.293
133 2HB HIS 19 1HB HIS 19 1.363 -1.268 1.908
134 HD2 HIS 19 2HD HIS 19 0.850 1.390 2.644
135 HE1 HIS 19 1HE HIS 19 -1.654 2.167 -0.674
136 HE2 HIS 19 2HE HIS 19 -0.989 2.928 1.657
137 H THR 20 H THR 20 2.922 1.248 1.946
138 HA THR 20 HA THR 20 2.326 3.440 0.435
139 HB THR 20 HB THR 20 2.666 3.620 2.815
140 HG1 THR 20 1HG THR 20 3.156 5.467 1.402
141 1HG2 THR 20 1HG2 THR 20 5.505 3.828 2.983
142 2HG2 THR 20 2HG2 THR 20 5.063 2.235 2.370
143 3HG2 THR 20 3HG2 THR 20 4.403 2.805 3.903
144 H THR 21 H THR 21 5.248 1.565 0.299
145 HA THR 21 HA THR 21 7.070 3.325 -0.776
146 HB THR 21 HB THR 21 7.432 0.902 -0.170
147 HG1 THR 21 1HG THR 21 9.222 1.432 -1.102
148 1HG2 THR 21 1HG2 THR 21 6.751 0.252 -3.004
149 2HG2 THR 21 2HG2 THR 21 5.551 0.099 -1.720
150 3HG2 THR 21 3HG2 THR 21 7.045 -0.834 -1.646
151 H HIS 22 H HIS 22 4.457 1.618 -2.421
152 HA HIS 22 HA HIS 22 5.126 3.020 -4.917
153 1HB HIS 22 2HB HIS 22 3.333 1.393 -5.847
154 2HB HIS 22 1HB HIS 22 4.922 0.757 -5.439
155 HD1 HIS 22 1HD HIS 22 4.735 -1.418 -4.329
156 HD2 HIS 22 2HD HIS 22 1.567 1.077 -3.290
157 HE1 HIS 22 1HE HIS 22 3.322 -2.747 -2.734
158 HE2 HIS 22 2HE HIS 22 1.542 -1.141 -1.971
159 H CYS 23 H CYS 23 2.614 2.572 -2.542
160 HA CYS 23 HA CYS 23 0.719 4.189 -4.006
161 1HB CYS 23 2HB CYS 23 0.716 2.487 -1.573
162 2HB CYS 23 1HB CYS 23 -0.484 3.761 -1.672
163 H PHE 24 H PHE 24 0.126 6.250 -3.511
164 HA PHE 24 HA PHE 24 1.861 7.687 -1.649
165 1HB PHE 24 2HB PHE 24 0.784 9.723 -2.737
166 2HB PHE 24 1HB PHE 24 1.789 8.723 -3.780
167 HD1 PHE 24 1HD PHE 24 -1.635 9.752 -2.989
168 HD2 PHE 24 2HD PHE 24 0.837 7.457 -5.585
169 HE1 PHE 24 1HE PHE 24 -3.509 9.526 -4.567
170 HE2 PHE 24 2HE PHE 24 -1.032 7.228 -7.168
171 HZ PHE 24 HZ PHE 24 -3.208 8.263 -6.660
172 H LYS 25 H LYS 25 0.038 6.081 -0.366
173 HA LYS 25 HA LYS 25 -1.516 6.101 1.294
174 1HB LYS 25 2HB LYS 25 -0.051 8.348 1.667
175 2HB LYS 25 1HB LYS 25 -1.650 9.050 1.465
176 1HG LYS 25 2HG LYS 25 -1.793 8.719 3.678
177 2HG LYS 25 1HG LYS 25 -2.211 7.071 3.208
178 1HD LYS 25 2HD LYS 25 -0.064 6.270 3.666
179 2HD LYS 25 1HD LYS 25 0.644 7.887 3.637
180 1HE LYS 25 2HE LYS 25 0.056 8.328 5.777
181 2HE LYS 25 1HE LYS 25 -1.455 7.425 5.659
182 1HZ LYS 25 1HZ LYS 25 -0.021 5.369 5.683
183 2HZ LYS 25 2HZ LYS 25 -0.098 6.232 7.136
184 3HZ LYS 25 3HZ LYS 25 1.266 6.366 6.145
Start of MODEL 19
1 1H ALA 1 1HT ALA 1 0.347 3.162 4.671
2 2H ALA 1 2HT ALA 1 -0.089 4.098 6.042
3 3H ALA 1 3HT ALA 1 -0.900 4.332 4.548
4 HA ALA 1 HA ALA 1 -0.931 1.860 6.142
5 1HB ALA 1 1HB ALA 1 -2.115 3.492 7.381
6 2HB ALA 1 2HB ALA 1 -3.329 2.534 6.531
7 3HB ALA 1 3HB ALA 1 -2.889 4.133 5.932
8 H VAL 2 H VAL 2 -2.623 0.389 5.410
9 HA VAL 2 HA VAL 2 -2.771 0.368 2.492
10 HB VAL 2 HB VAL 2 -1.949 -1.660 3.594
11 1HG1 VAL 2 1HG1 VAL 2 -4.532 -2.543 4.619
12 2HG1 VAL 2 2HG1 VAL 2 -3.869 -1.160 5.491
13 3HG1 VAL 2 3HG1 VAL 2 -2.929 -2.645 5.345
14 1HG2 VAL 2 1HG2 VAL 2 -3.846 -1.505 1.582
15 2HG2 VAL 2 2HG2 VAL 2 -4.450 -2.777 2.644
16 3HG2 VAL 2 3HG2 VAL 2 -2.829 -2.894 1.961
17 H TYR 3 H TYR 3 -4.777 0.819 5.277
18 HA TYR 3 HA TYR 3 -7.284 0.122 4.307
19 1HB TYR 3 2HB TYR 3 -6.229 1.799 6.452
20 2HB TYR 3 1HB TYR 3 -7.761 2.395 5.823
21 HD1 TYR 3 1HD TYR 3 -6.104 -0.278 7.667
22 HD2 TYR 3 2HD TYR 3 -9.793 1.035 6.004
23 HE1 TYR 3 1HE TYR 3 -7.300 -1.954 9.012
24 HE2 TYR 3 2HE TYR 3 -11.000 -0.637 7.345
25 HH TYR 3 HH TYR 3 -10.283 -2.992 8.431
26 H TYR 4 H TYR 4 -5.315 2.935 3.654
27 HA TYR 4 HA TYR 4 -7.467 4.110 2.042
28 1HB TYR 4 2HB TYR 4 -4.869 5.249 3.080
29 2HB TYR 4 1HB TYR 4 -5.909 6.101 1.943
30 HD1 TYR 4 1HD TYR 4 -5.330 5.257 5.394
31 HD2 TYR 4 2HD TYR 4 -8.247 6.710 2.660
32 HE1 TYR 4 1HE TYR 4 -6.641 6.145 7.275
33 HE2 TYR 4 2HE TYR 4 -9.566 7.603 4.534
34 HH TYR 4 HH TYR 4 -8.327 7.775 7.739
35 H CYS 5 H CYS 5 -5.787 1.746 1.305
36 HA CYS 5 HA CYS 5 -4.100 2.681 -0.843
37 1HB CYS 5 2HB CYS 5 -3.362 0.715 0.309
38 2HB CYS 5 1HB CYS 5 -4.918 -0.075 0.086
39 H ILE 6 H ILE 6 -5.194 3.600 -2.485
40 HA ILE 6 HA ILE 6 -7.740 2.638 -3.388
41 HB ILE 6 HB ILE 6 -7.448 4.294 -5.228
42 1HG1 ILE 6 2HG1 ILE 6 -5.061 5.417 -3.853
43 2HG1 ILE 6 1HG1 ILE 6 -4.806 4.018 -4.892
44 1HG2 ILE 6 1HG2 ILE 6 -8.053 6.053 -3.898
45 2HG2 ILE 6 2HG2 ILE 6 -6.796 5.728 -2.705
46 3HG2 ILE 6 3HG2 ILE 6 -8.244 4.723 -2.757
47 1HD1 ILE 6 1HD1 ILE 6 -4.940 5.262 -6.718
48 2HD1 ILE 6 2HD1 ILE 6 -4.912 6.675 -5.663
49 3HD1 ILE 6 3HD1 ILE 6 -6.453 5.997 -6.189
50 H LEU 7 H LEU 7 -4.660 1.478 -3.844
51 HA LEU 7 HA LEU 7 -5.235 0.481 -6.547
52 1HB LEU 7 2HB LEU 7 -3.064 1.718 -5.999
53 2HB LEU 7 1HB LEU 7 -2.604 0.284 -5.102
54 HG LEU 7 HG LEU 7 -3.306 0.261 -8.036
55 1HD1 LEU 7 1HD1 LEU 7 -0.545 0.157 -6.850
56 2HD1 LEU 7 2HD1 LEU 7 -1.281 1.646 -7.443
57 3HD1 LEU 7 3HD1 LEU 7 -1.000 0.302 -8.549
58 1HD2 LEU 7 1HD2 LEU 7 -2.407 -1.765 -6.055
59 2HD2 LEU 7 2HD2 LEU 7 -1.808 -1.887 -7.708
60 3HD2 LEU 7 3HD2 LEU 7 -3.543 -1.918 -7.396
61 HA PRO 8 HA PRO 8 -6.007 -3.260 -4.025
62 1HB PRO 8 2HB PRO 8 -7.921 -4.303 -5.594
63 2HB PRO 8 1HB PRO 8 -8.261 -2.987 -4.464
64 1HG PRO 8 2HG PRO 8 -7.782 -2.871 -7.417
65 2HG PRO 8 1HG PRO 8 -9.001 -2.023 -6.448
66 1HD PRO 8 2HD PRO 8 -6.665 -0.874 -7.286
67 2HD PRO 8 1HD PRO 8 -7.532 -0.378 -5.820
68 H LYS 9 H LYS 9 -3.702 -3.190 -5.464
69 HA LYS 9 HA LYS 9 -3.253 -5.820 -6.195
70 1HB LYS 9 2HB LYS 9 -4.677 -4.566 -8.215
71 2HB LYS 9 1HB LYS 9 -3.013 -4.466 -8.774
72 1HG LYS 9 2HG LYS 9 -2.766 -6.855 -8.621
73 2HG LYS 9 1HG LYS 9 -4.373 -7.008 -7.908
74 1HD LYS 9 2HD LYS 9 -5.442 -6.448 -9.912
75 2HD LYS 9 1HD LYS 9 -3.978 -5.743 -10.601
76 1HE LYS 9 2HE LYS 9 -4.013 -8.640 -9.885
77 2HE LYS 9 1HE LYS 9 -4.812 -8.107 -11.364
78 1HZ LYS 9 1HZ LYS 9 -2.097 -7.144 -10.888
79 2HZ LYS 9 2HZ LYS 9 -2.855 -7.570 -12.339
80 3HZ LYS 9 3HZ LYS 9 -2.273 -8.775 -11.305
81 H CYS 10 H CYS 10 -1.976 -3.785 -4.742
82 HA CYS 10 HA CYS 10 0.405 -3.150 -6.334
83 1HB CYS 10 2HB CYS 10 0.953 -1.532 -4.613
84 2HB CYS 10 1HB CYS 10 -0.709 -1.286 -5.136
85 H ALA 11 H ALA 11 -0.621 -4.705 -3.331
86 HA ALA 11 HA ALA 11 1.995 -6.056 -3.235
87 1HB ALA 11 1HB ALA 11 0.563 -5.619 -0.681
88 2HB ALA 11 2HB ALA 11 1.335 -4.217 -1.421
89 3HB ALA 11 3HB ALA 11 2.293 -5.644 -1.024
90 H ALA 12 H ALA 12 1.643 -7.894 -1.350
91 HA ALA 12 HA ALA 12 -0.893 -9.244 -1.603
92 1HB ALA 12 1HB ALA 12 -0.371 -10.914 -3.028
93 2HB ALA 12 2HB ALA 12 1.313 -10.979 -2.506
94 3HB ALA 12 3HB ALA 12 0.789 -9.738 -3.645
95 H ALA 13 H ALA 13 0.836 -8.214 0.519
96 HA ALA 13 HA ALA 13 0.984 -10.665 2.108
97 1HB ALA 13 1HB ALA 13 3.211 -8.693 2.370
98 2HB ALA 13 2HB ALA 13 3.267 -9.920 1.104
99 3HB ALA 13 3HB ALA 13 3.170 -10.403 2.797
100 H ALA 14 H ALA 14 -0.728 -8.176 1.913
101 HA ALA 14 HA ALA 14 -1.787 -6.705 3.289
102 1HB ALA 14 1HB ALA 14 -2.016 -9.006 4.463
103 2HB ALA 14 2HB ALA 14 -2.444 -7.539 5.344
104 3HB ALA 14 3HB ALA 14 -0.892 -8.323 5.639
105 H ASN 15 H ASN 15 1.092 -6.275 2.736
106 HA ASN 15 HA ASN 15 2.185 -5.123 5.144
107 1HB ASN 15 2HB ASN 15 3.978 -4.304 3.544
108 2HB ASN 15 1HB ASN 15 3.786 -6.050 3.649
109 1HD2 ASN 15 1HD2 ASN 15 4.646 -6.448 1.645
110 2HD2 ASN 15 2HD2 ASN 15 3.840 -6.029 0.176
111 H VAL 16 H VAL 16 2.139 -3.103 5.789
112 HA VAL 16 HA VAL 16 0.546 -1.203 4.235
113 HB VAL 16 HB VAL 16 1.024 -1.704 7.102
114 1HG1 VAL 16 1HG1 VAL 16 1.963 0.426 7.249
115 2HG1 VAL 16 2HG1 VAL 16 0.258 0.716 7.591
116 3HG1 VAL 16 3HG1 VAL 16 0.911 1.083 5.995
117 1HG2 VAL 16 1HG2 VAL 16 -1.360 -0.530 6.989
118 2HG2 VAL 16 2HG2 VAL 16 -1.116 -2.223 6.564
119 3HG2 VAL 16 3HG2 VAL 16 -1.214 -1.002 5.296
120 H ALA 17 H ALA 17 3.364 -1.012 6.426
121 HA ALA 17 HA ALA 17 4.306 1.452 5.553
122 1HB ALA 17 1HB ALA 17 6.600 0.314 6.324
123 2HB ALA 17 2HB ALA 17 5.462 -0.837 7.025
124 3HB ALA 17 3HB ALA 17 5.375 0.869 7.463
125 H ALA 18 H ALA 18 4.670 -1.715 4.154
126 HA ALA 18 HA ALA 18 6.718 -0.837 2.291
127 1HB ALA 18 1HB ALA 18 5.718 -3.373 3.246
128 2HB ALA 18 2HB ALA 18 7.256 -2.986 2.474
129 3HB ALA 18 3HB ALA 18 5.841 -3.350 1.487
130 H HIS 19 H HIS 19 3.355 -0.717 2.448
131 HA HIS 19 HA HIS 19 2.862 -1.098 -0.365
132 1HB HIS 19 2HB HIS 19 0.820 -1.535 0.461
133 2HB HIS 19 1HB HIS 19 1.274 -0.897 2.035
134 HD2 HIS 19 2HD HIS 19 0.593 1.781 2.497
135 HE1 HIS 19 1HE HIS 19 -1.820 2.108 -0.962
136 HE2 HIS 19 2HE HIS 19 -1.282 3.119 1.305
137 H THR 20 H THR 20 2.697 1.689 1.863
138 HA THR 20 HA THR 20 2.041 3.687 0.125
139 HB THR 20 HB THR 20 2.288 4.126 2.479
140 HG1 THR 20 1HG THR 20 2.615 6.061 1.747
141 1HG2 THR 20 1HG2 THR 20 4.154 3.910 3.741
142 2HG2 THR 20 2HG2 THR 20 5.243 4.228 2.391
143 3HG2 THR 20 3HG2 THR 20 4.479 2.646 2.554
144 H THR 21 H THR 21 5.060 1.969 0.259
145 HA THR 21 HA THR 21 6.825 3.712 -0.932
146 HB THR 21 HB THR 21 7.283 1.375 -0.087
147 HG1 THR 21 1HG THR 21 9.092 1.809 -1.019
148 1HG2 THR 21 1HG2 THR 21 6.724 0.443 -2.870
149 2HG2 THR 21 2HG2 THR 21 5.505 0.327 -1.600
150 3HG2 THR 21 3HG2 THR 21 7.050 -0.505 -1.419
151 H HIS 22 H HIS 22 4.356 1.722 -2.480
152 HA HIS 22 HA HIS 22 5.038 2.916 -5.078
153 1HB HIS 22 2HB HIS 22 3.351 1.119 -5.895
154 2HB HIS 22 1HB HIS 22 4.958 0.609 -5.393
155 HD1 HIS 22 1HD HIS 22 4.858 -1.453 -4.075
156 HD2 HIS 22 2HD HIS 22 1.526 0.943 -3.371
157 HE1 HIS 22 1HE HIS 22 3.471 -2.701 -2.395
158 HE2 HIS 22 2HE HIS 22 1.582 -1.135 -1.842
159 H CYS 23 H CYS 23 2.472 2.563 -2.745
160 HA CYS 23 HA CYS 23 0.552 3.939 -4.408
161 1HB CYS 23 2HB CYS 23 0.550 2.484 -1.817
162 2HB CYS 23 1HB CYS 23 -0.707 3.677 -2.081
163 H PHE 24 H PHE 24 -0.819 5.624 -3.051
164 HA PHE 24 HA PHE 24 0.860 7.362 -1.432
165 1HB PHE 24 2HB PHE 24 0.328 9.345 -2.846
166 2HB PHE 24 1HB PHE 24 1.366 8.173 -3.650
167 HD1 PHE 24 1HD PHE 24 -1.892 9.784 -3.623
168 HD2 PHE 24 2HD PHE 24 0.505 6.792 -5.470
169 HE1 PHE 24 1HE PHE 24 -3.469 9.691 -5.511
170 HE2 PHE 24 2HE PHE 24 -1.065 6.694 -7.361
171 HZ PHE 24 HZ PHE 24 -3.056 8.145 -7.383
172 H LYS 25 H LYS 25 -1.427 5.801 -0.814
173 HA LYS 25 HA LYS 25 -3.395 5.945 0.315
174 1HB LYS 25 2HB LYS 25 -1.963 7.880 1.361
175 2HB LYS 25 1HB LYS 25 -3.105 8.918 0.520
176 1HG LYS 25 2HG LYS 25 -4.954 7.824 1.703
177 2HG LYS 25 1HG LYS 25 -3.788 6.822 2.570
178 1HD LYS 25 2HD LYS 25 -3.290 9.722 2.681
179 2HD LYS 25 1HD LYS 25 -4.761 9.176 3.490
180 1HE LYS 25 2HE LYS 25 -3.131 9.064 5.155
181 2HE LYS 25 1HE LYS 25 -3.267 7.402 4.584
182 1HZ LYS 25 1HZ LYS 25 -1.205 7.437 3.713
183 2HZ LYS 25 2HZ LYS 25 -0.952 8.663 4.850
184 3HZ LYS 25 3HZ LYS 25 -1.293 9.060 3.241
Start of MODEL 20
1 1H ALA 1 1HT ALA 1 -1.274 4.448 7.163
2 2H ALA 1 2HT ALA 1 -2.925 3.984 7.087
3 3H ALA 1 3HT ALA 1 -2.034 4.236 5.642
4 HA ALA 1 HA ALA 1 -0.585 2.417 6.238
5 1HB ALA 1 1HB ALA 1 -1.569 2.765 8.752
6 2HB ALA 1 2HB ALA 1 -0.701 1.333 8.198
7 3HB ALA 1 3HB ALA 1 -2.465 1.344 8.215
8 H VAL 2 H VAL 2 -1.502 2.208 4.120
9 HA VAL 2 HA VAL 2 -2.856 1.338 2.499
10 HB VAL 2 HB VAL 2 -1.624 -0.648 3.347
11 1HG1 VAL 2 1HG1 VAL 2 -4.115 -1.029 4.996
12 2HG1 VAL 2 2HG1 VAL 2 -2.455 -0.866 5.569
13 3HG1 VAL 2 3HG1 VAL 2 -2.945 -2.309 4.679
14 1HG2 VAL 2 1HG2 VAL 2 -4.317 -1.649 2.584
15 2HG2 VAL 2 2HG2 VAL 2 -2.727 -2.080 1.952
16 3HG2 VAL 2 3HG2 VAL 2 -3.484 -0.561 1.475
17 H TYR 3 H TYR 3 -4.265 2.913 4.512
18 HA TYR 3 HA TYR 3 -6.797 1.573 4.926
19 1HB TYR 3 2HB TYR 3 -5.451 3.866 6.020
20 2HB TYR 3 1HB TYR 3 -7.054 4.340 5.468
21 HD1 TYR 3 1HD TYR 3 -5.163 2.549 7.972
22 HD2 TYR 3 2HD TYR 3 -9.062 3.166 6.385
23 HE1 TYR 3 1HE TYR 3 -6.139 1.598 10.018
24 HE2 TYR 3 2HE TYR 3 -10.050 2.219 8.429
25 HH TYR 3 HH TYR 3 -9.495 1.811 10.725
26 H TYR 4 H TYR 4 -5.739 4.519 3.217
27 HA TYR 4 HA TYR 4 -8.204 4.533 1.673
28 1HB TYR 4 2HB TYR 4 -5.876 6.438 1.879
29 2HB TYR 4 1HB TYR 4 -7.145 6.635 0.673
30 HD1 TYR 4 1HD TYR 4 -6.859 6.041 4.358
31 HD2 TYR 4 2HD TYR 4 -8.854 8.082 1.204
32 HE1 TYR 4 1HE TYR 4 -8.232 7.238 6.010
33 HE2 TYR 4 2HE TYR 4 -10.233 9.286 2.846
34 HH TYR 4 HH TYR 4 -10.828 8.455 5.710
35 H CYS 5 H CYS 5 -5.588 2.723 1.424
36 HA CYS 5 HA CYS 5 -4.556 3.115 -1.147
37 1HB CYS 5 2HB CYS 5 -3.384 1.678 0.357
38 2HB CYS 5 1HB CYS 5 -4.793 0.652 0.584
39 H ILE 6 H ILE 6 -5.752 3.231 -2.932
40 HA ILE 6 HA ILE 6 -8.101 1.507 -3.222
41 HB ILE 6 HB ILE 6 -8.527 2.900 -5.281
42 1HG1 ILE 6 2HG1 ILE 6 -6.635 4.928 -4.174
43 2HG1 ILE 6 1HG1 ILE 6 -5.983 3.642 -5.186
44 1HG2 ILE 6 1HG2 ILE 6 -9.257 4.894 -3.974
45 2HG2 ILE 6 2HG2 ILE 6 -8.387 4.239 -2.587
46 3HG2 ILE 6 3HG2 ILE 6 -9.746 3.350 -3.276
47 1HD1 ILE 6 1HD1 ILE 6 -6.524 4.849 -6.954
48 2HD1 ILE 6 2HD1 ILE 6 -7.353 6.035 -5.945
49 3HD1 ILE 6 3HD1 ILE 6 -8.224 4.623 -6.543
50 H LEU 7 H LEU 7 -5.418 0.421 -3.405
51 HA LEU 7 HA LEU 7 -5.625 -0.749 -6.077
52 1HB LEU 7 2HB LEU 7 -3.853 1.166 -5.825
53 2HB LEU 7 1HB LEU 7 -2.918 -0.066 -5.000
54 HG LEU 7 HG LEU 7 -3.888 -0.149 -7.856
55 1HD1 LEU 7 1HD1 LEU 7 -1.087 -0.147 -6.752
56 2HD1 LEU 7 2HD1 LEU 7 -1.922 1.291 -7.340
57 3HD1 LEU 7 3HD1 LEU 7 -1.574 -0.041 -8.443
58 1HD2 LEU 7 1HD2 LEU 7 -2.772 -2.256 -6.072
59 2HD2 LEU 7 2HD2 LEU 7 -2.314 -2.247 -7.774
60 3HD2 LEU 7 3HD2 LEU 7 -4.013 -2.375 -7.319
61 HA PRO 8 HA PRO 8 -5.259 -4.007 -2.831
62 1HB PRO 8 2HB PRO 8 -6.550 -5.889 -4.358
63 2HB PRO 8 1HB PRO 8 -7.368 -4.770 -3.263
64 1HG PRO 8 2HG PRO 8 -7.002 -4.596 -6.227
65 2HG PRO 8 1HG PRO 8 -8.433 -4.217 -5.250
66 1HD PRO 8 2HD PRO 8 -6.817 -2.290 -6.199
67 2HD PRO 8 1HD PRO 8 -7.609 -2.149 -4.616
68 H LYS 9 H LYS 9 -4.487 -3.971 -6.244
69 HA LYS 9 HA LYS 9 -2.684 -6.253 -5.935
70 1HB LYS 9 2HB LYS 9 -4.345 -5.741 -7.946
71 2HB LYS 9 1HB LYS 9 -2.976 -4.800 -8.522
72 1HG LYS 9 2HG LYS 9 -1.679 -6.643 -8.885
73 2HG LYS 9 1HG LYS 9 -2.492 -7.596 -7.640
74 1HD LYS 9 2HD LYS 9 -4.039 -6.762 -10.047
75 2HD LYS 9 1HD LYS 9 -2.878 -8.081 -10.202
76 1HE LYS 9 2HE LYS 9 -4.724 -8.183 -7.890
77 2HE LYS 9 1HE LYS 9 -5.428 -8.457 -9.483
78 1HZ LYS 9 1HZ LYS 9 -2.972 -9.901 -8.901
79 2HZ LYS 9 2HZ LYS 9 -4.364 -10.414 -9.714
80 3HZ LYS 9 3HZ LYS 9 -4.337 -10.380 -8.022
81 H CYS 10 H CYS 10 -1.912 -4.011 -4.508
82 HA CYS 10 HA CYS 10 0.272 -2.863 -6.109
83 1HB CYS 10 2HB CYS 10 0.321 -1.022 -4.601
84 2HB CYS 10 1HB CYS 10 -1.374 -1.314 -4.969
85 H ALA 11 H ALA 11 -0.458 -4.461 -3.044
86 HA ALA 11 HA ALA 11 2.411 -4.781 -2.527
87 1HB ALA 11 1HB ALA 11 0.156 -5.485 -0.662
88 2HB ALA 11 2HB ALA 11 0.870 -3.874 -0.748
89 3HB ALA 11 3HB ALA 11 1.861 -5.253 -0.271
90 H ALA 12 H ALA 12 2.373 -7.055 -0.967
91 HA ALA 12 HA ALA 12 1.811 -9.115 -2.983
92 1HB ALA 12 1HB ALA 12 3.582 -10.370 -2.131
93 2HB ALA 12 2HB ALA 12 3.574 -9.510 -0.592
94 3HB ALA 12 3HB ALA 12 4.168 -8.708 -2.046
95 H ALA 13 H ALA 13 1.588 -8.507 0.512
96 HA ALA 13 HA ALA 13 -0.700 -10.347 0.601
97 1HB ALA 13 1HB ALA 13 1.555 -11.302 1.478
98 2HB ALA 13 2HB ALA 13 0.080 -11.546 2.414
99 3HB ALA 13 3HB ALA 13 1.226 -10.291 2.885
100 H ALA 14 H ALA 14 -0.908 -7.593 0.399
101 HA ALA 14 HA ALA 14 -1.959 -5.808 1.334
102 1HB ALA 14 1HB ALA 14 -3.565 -7.644 1.960
103 2HB ALA 14 2HB ALA 14 -3.615 -6.209 2.985
104 3HB ALA 14 3HB ALA 14 -2.798 -7.668 3.547
105 H ASN 15 H ASN 15 0.762 -6.072 1.902
106 HA ASN 15 HA ASN 15 1.205 -5.611 4.710
107 1HB ASN 15 2HB ASN 15 3.554 -5.097 3.936
108 2HB ASN 15 1HB ASN 15 2.972 -6.706 3.528
109 1HD2 ASN 15 1HD2 ASN 15 3.678 -7.287 1.617
110 2HD2 ASN 15 2HD2 ASN 15 3.787 -6.281 0.216
111 H VAL 16 H VAL 16 1.704 -3.724 5.713
112 HA VAL 16 HA VAL 16 0.870 -1.309 4.289
113 HB VAL 16 HB VAL 16 -0.049 -2.211 6.592
114 1HG1 VAL 16 1HG1 VAL 16 0.961 -1.134 8.518
115 2HG1 VAL 16 2HG1 VAL 16 2.235 -0.464 7.499
116 3HG1 VAL 16 3HG1 VAL 16 2.118 -2.208 7.733
117 1HG2 VAL 16 1HG2 VAL 16 0.410 0.726 6.567
118 2HG2 VAL 16 2HG2 VAL 16 -1.076 -0.185 6.841
119 3HG2 VAL 16 3HG2 VAL 16 -0.441 -0.002 5.206
120 H ALA 17 H ALA 17 3.471 -2.531 6.355
121 HA ALA 17 HA ALA 17 5.021 -0.131 6.197
122 1HB ALA 17 1HB ALA 17 5.878 -2.902 7.028
123 2HB ALA 17 2HB ALA 17 5.192 -1.677 8.097
124 3HB ALA 17 3HB ALA 17 6.755 -1.401 7.328
125 H ALA 18 H ALA 18 4.550 -0.364 3.684
126 HA ALA 18 HA ALA 18 6.903 -0.398 2.319
127 1HB ALA 18 1HB ALA 18 5.826 -3.139 2.650
128 2HB ALA 18 2HB ALA 18 7.492 -2.588 2.461
129 3HB ALA 18 3HB ALA 18 6.436 -2.704 1.053
130 H HIS 19 H HIS 19 3.500 -1.191 2.257
131 HA HIS 19 HA HIS 19 2.904 -1.098 -0.421
132 1HB HIS 19 2HB HIS 19 0.879 -1.412 0.487
133 2HB HIS 19 1HB HIS 19 1.460 -0.859 2.049
134 HD2 HIS 19 2HD HIS 19 1.030 1.874 2.596
135 HE1 HIS 19 1HE HIS 19 -1.667 2.398 -0.620
136 HE2 HIS 19 2HE HIS 19 -0.857 3.341 1.594
137 H THR 20 H THR 20 3.084 1.694 1.794
138 HA THR 20 HA THR 20 2.381 3.728 0.112
139 HB THR 20 HB THR 20 2.880 4.127 2.443
140 HG1 THR 20 1HG THR 20 4.061 6.031 2.205
141 1HG2 THR 20 1HG2 THR 20 5.816 4.036 1.955
142 2HG2 THR 20 2HG2 THR 20 4.949 2.561 2.385
143 3HG2 THR 20 3HG2 THR 20 4.922 3.949 3.473
144 H THR 21 H THR 21 5.292 1.830 -0.039
145 HA THR 21 HA THR 21 7.025 3.492 -1.395
146 HB THR 21 HB THR 21 7.392 1.097 -0.567
147 HG1 THR 21 1HG THR 21 8.410 1.705 -3.136
148 1HG2 THR 21 1HG2 THR 21 6.733 0.300 -3.373
149 2HG2 THR 21 2HG2 THR 21 5.552 0.158 -2.071
150 3HG2 THR 21 3HG2 THR 21 7.078 -0.721 -1.977
151 H HIS 22 H HIS 22 4.315 1.637 -2.684
152 HA HIS 22 HA HIS 22 4.830 2.760 -5.351
153 1HB HIS 22 2HB HIS 22 2.957 1.069 -5.977
154 2HB HIS 22 1HB HIS 22 4.571 0.462 -5.624
155 HD1 HIS 22 1HD HIS 22 4.487 -1.564 -4.251
156 HD2 HIS 22 2HD HIS 22 1.364 1.023 -3.309
157 HE1 HIS 22 1HE HIS 22 3.189 -2.706 -2.429
158 HE2 HIS 22 2HE HIS 22 1.439 -1.033 -1.749
159 H CYS 23 H CYS 23 2.471 2.590 -2.789
160 HA CYS 23 HA CYS 23 0.502 4.085 -4.285
161 1HB CYS 23 2HB CYS 23 0.636 2.627 -1.703
162 2HB CYS 23 1HB CYS 23 -0.550 3.909 -1.845
163 H PHE 24 H PHE 24 -0.621 5.872 -2.868
164 HA PHE 24 HA PHE 24 1.240 7.476 -1.330
165 1HB PHE 24 2HB PHE 24 0.868 9.488 -2.781
166 2HB PHE 24 1HB PHE 24 1.837 8.225 -3.532
167 HD1 PHE 24 1HD PHE 24 -1.308 10.051 -3.612
168 HD2 PHE 24 2HD PHE 24 0.935 6.882 -5.354
169 HE1 PHE 24 1HE PHE 24 -2.842 10.028 -5.537
170 HE2 PHE 24 2HE PHE 24 -0.594 6.854 -7.281
171 HZ PHE 24 HZ PHE 24 -2.485 8.429 -7.375
172 H LYS 25 H LYS 25 -1.241 6.141 -0.771
173 HA LYS 25 HA LYS 25 -3.198 6.491 0.332
174 1HB LYS 25 2HB LYS 25 -2.284 9.352 0.632
175 2HB LYS 25 1HB LYS 25 -3.421 8.483 1.654
176 1HG LYS 25 2HG LYS 25 -1.411 6.897 2.091
177 2HG LYS 25 1HG LYS 25 -0.449 8.259 1.514
178 1HD LYS 25 2HD LYS 25 -0.860 9.497 3.358
179 2HD LYS 25 1HD LYS 25 -2.521 8.918 3.501
180 1HE LYS 25 2HE LYS 25 -1.706 7.830 5.300
181 2HE LYS 25 1HE LYS 25 -1.177 6.659 4.093
182 1HZ LYS 25 1HZ LYS 25 0.986 7.681 4.056
183 2HZ LYS 25 2HZ LYS 25 0.591 7.282 5.652
184 3HZ LYS 25 3HZ LYS 25 0.488 8.889 5.132
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