Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
14405 | 1wo4 RC | 6328 | 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 -0.782 3.842 2.670
2 2H ALA 1 2HT ALA 1 -1.507 4.780 3.912
3 3H ALA 1 3HT ALA 1 -2.427 4.306 2.542
4 HA ALA 1 HA ALA 1 -1.173 2.306 4.262
5 1HB ALA 1 1HB ALA 1 -2.480 3.894 5.683
6 2HB ALA 1 2HB ALA 1 -3.087 2.238 5.687
7 3HB ALA 1 3HB ALA 1 -3.909 3.477 4.738
8 H VAL 2 H VAL 2 -1.556 0.381 3.527
9 HA VAL 2 HA VAL 2 -2.710 -0.146 1.067
10 HB VAL 2 HB VAL 2 -1.096 -1.555 2.424
11 1HG1 VAL 2 1HG1 VAL 2 -3.447 -3.049 3.470
12 2HG1 VAL 2 2HG1 VAL 2 -2.890 -1.625 4.349
13 3HG1 VAL 2 3HG1 VAL 2 -1.792 -2.977 4.074
14 1HG2 VAL 2 1HG2 VAL 2 -2.068 -3.720 1.473
15 2HG2 VAL 2 2HG2 VAL 2 -1.762 -2.403 0.340
16 3HG2 VAL 2 3HG2 VAL 2 -3.404 -2.723 0.897
17 H SER 3 H SER 3 -4.210 0.188 4.164
18 HA SER 3 HA SER 3 -6.588 -1.273 3.599
19 1HB SER 3 2HB SER 3 -5.565 -0.344 5.883
20 2HB SER 3 1HB SER 3 -6.641 1.004 5.524
21 HG SER 3 HG SER 3 -8.349 -0.541 5.363
22 H ALA 4 H ALA 4 -5.524 2.020 3.106
23 HA ALA 4 HA ALA 4 -8.108 2.647 1.840
24 1HB ALA 4 1HB ALA 4 -6.255 4.850 2.509
25 2HB ALA 4 2HB ALA 4 -7.014 4.016 3.865
26 3HB ALA 4 3HB ALA 4 -8.012 4.770 2.622
27 H CYS 5 H CYS 5 -5.619 1.296 0.756
28 HA CYS 5 HA CYS 5 -4.130 2.865 -0.935
29 1HB CYS 5 2HB CYS 5 -3.656 0.515 -0.675
30 2HB CYS 5 1HB CYS 5 -5.207 0.077 -1.382
31 H ALA 6 H ALA 6 -4.434 3.935 -2.796
32 HA ALA 6 HA ALA 6 -7.116 4.386 -3.703
33 1HB ALA 6 1HB ALA 6 -6.277 6.161 -4.900
34 2HB ALA 6 2HB ALA 6 -4.731 5.368 -5.200
35 3HB ALA 6 3HB ALA 6 -5.090 6.025 -3.603
36 H LEU 7 H LEU 7 -4.367 2.520 -4.826
37 HA LEU 7 HA LEU 7 -5.814 1.836 -7.276
38 1HB LEU 7 2HB LEU 7 -3.652 0.763 -7.938
39 2HB LEU 7 1HB LEU 7 -3.597 2.501 -7.746
40 HG LEU 7 HG LEU 7 -2.771 1.793 -5.300
41 1HD1 LEU 7 1HD1 LEU 7 -2.483 -0.602 -6.972
42 2HD1 LEU 7 2HD1 LEU 7 -2.538 -0.437 -5.217
43 3HD1 LEU 7 3HD1 LEU 7 -1.035 -0.128 -6.085
44 1HD2 LEU 7 1HD2 LEU 7 -1.466 3.277 -6.524
45 2HD2 LEU 7 2HD2 LEU 7 -1.250 2.140 -7.855
46 3HD2 LEU 7 3HD2 LEU 7 -0.410 1.877 -6.327
47 H SER 8 H SER 8 -5.086 -0.593 -7.935
48 HA SER 8 HA SER 8 -6.697 -2.316 -6.570
49 1HB SER 8 2HB SER 8 -4.377 -2.697 -8.398
50 2HB SER 8 1HB SER 8 -4.986 -4.111 -7.537
51 HG SER 8 HG SER 8 -6.377 -4.151 -9.118
52 H LYS 9 H LYS 9 -5.886 -4.452 -5.524
53 HA LYS 9 HA LYS 9 -4.943 -3.904 -2.981
54 1HB LYS 9 2HB LYS 9 -6.031 -6.070 -4.133
55 2HB LYS 9 1HB LYS 9 -4.355 -6.598 -4.081
56 1HG LYS 9 2HG LYS 9 -4.301 -6.232 -1.673
57 2HG LYS 9 1HG LYS 9 -5.974 -5.673 -1.716
58 1HD LYS 9 2HD LYS 9 -6.206 -8.067 -2.962
59 2HD LYS 9 1HD LYS 9 -4.882 -8.404 -1.844
60 1HE LYS 9 2HE LYS 9 -6.210 -8.255 -0.022
61 2HE LYS 9 1HE LYS 9 -7.177 -6.949 -0.705
62 1HZ LYS 9 1HZ LYS 9 -8.360 -9.114 -0.381
63 2HZ LYS 9 2HZ LYS 9 -7.399 -9.761 -1.614
64 3HZ LYS 9 3HZ LYS 9 -8.451 -8.480 -1.947
65 H CYS 10 H CYS 10 -2.987 -3.858 -2.000
66 HA CYS 10 HA CYS 10 -0.626 -4.194 -3.731
67 1HB CYS 10 2HB CYS 10 -1.281 -2.187 -1.610
68 2HB CYS 10 1HB CYS 10 0.402 -2.609 -1.904
69 H ALA 11 H ALA 11 1.337 -4.931 -2.684
70 HA ALA 11 HA ALA 11 2.515 -6.422 -1.432
71 1HB ALA 11 1HB ALA 11 2.045 -4.805 0.354
72 2HB ALA 11 2HB ALA 11 2.117 -6.458 0.965
73 3HB ALA 11 3HB ALA 11 0.556 -5.670 0.735
74 H ALA 12 H ALA 12 2.436 -8.556 -0.409
75 HA ALA 12 HA ALA 12 -0.054 -9.990 -1.077
76 1HB ALA 12 1HB ALA 12 2.813 -10.730 -1.501
77 2HB ALA 12 2HB ALA 12 1.459 -10.799 -2.629
78 3HB ALA 12 3HB ALA 12 1.585 -11.985 -1.330
79 H ALA 13 H ALA 13 0.687 -8.770 1.483
80 HA ALA 13 HA ALA 13 -0.087 -10.851 3.206
81 1HB ALA 13 1HB ALA 13 2.650 -10.102 4.008
82 2HB ALA 13 2HB ALA 13 2.517 -11.174 2.614
83 3HB ALA 13 3HB ALA 13 1.801 -11.641 4.158
84 H ALA 14 H ALA 14 -0.803 -8.147 2.659
85 HA ALA 14 HA ALA 14 -1.490 -6.282 3.766
86 1HB ALA 14 1HB ALA 14 -1.126 -6.528 6.410
87 2HB ALA 14 2HB ALA 14 -1.022 -8.224 5.941
88 3HB ALA 14 3HB ALA 14 -2.461 -7.286 5.544
89 H ASN 15 H ASN 15 1.240 -6.505 2.806
90 HA ASN 15 HA ASN 15 2.931 -5.196 4.737
91 1HB ASN 15 2HB ASN 15 3.614 -6.788 2.783
92 2HB ASN 15 1HB ASN 15 3.541 -5.328 1.801
93 1HD2 ASN 15 1HD2 ASN 15 5.364 -7.162 3.986
94 2HD2 ASN 15 2HD2 ASN 15 6.681 -6.062 4.185
95 H VAL 16 H VAL 16 1.556 -3.371 5.175
96 HA VAL 16 HA VAL 16 0.688 -1.509 3.297
97 HB VAL 16 HB VAL 16 1.546 -0.926 6.135
98 1HG1 VAL 16 1HG1 VAL 16 1.081 1.180 5.555
99 2HG1 VAL 16 2HG1 VAL 16 -0.609 0.677 5.512
100 3HG1 VAL 16 3HG1 VAL 16 0.346 0.686 4.030
101 1HG2 VAL 16 1HG2 VAL 16 -0.358 -1.832 6.919
102 2HG2 VAL 16 2HG2 VAL 16 -0.325 -2.754 5.416
103 3HG2 VAL 16 3HG2 VAL 16 -1.306 -1.294 5.532
104 H ALA 17 H ALA 17 3.753 -1.658 5.081
105 HA ALA 17 HA ALA 17 4.823 0.769 4.246
106 1HB ALA 17 1HB ALA 17 5.924 -1.767 5.284
107 2HB ALA 17 2HB ALA 17 6.184 -0.109 5.828
108 3HB ALA 17 3HB ALA 17 7.054 -0.723 4.422
109 H ALA 18 H ALA 18 4.907 -2.405 2.679
110 HA ALA 18 HA ALA 18 6.553 -1.652 0.507
111 1HB ALA 18 1HB ALA 18 5.512 -3.645 -0.629
112 2HB ALA 18 2HB ALA 18 4.499 -3.838 0.803
113 3HB ALA 18 3HB ALA 18 6.253 -3.975 0.937
114 H HIS 19 H HIS 19 3.178 -1.298 1.211
115 HA HIS 19 HA HIS 19 2.354 -0.592 -1.434
116 1HB HIS 19 2HB HIS 19 0.539 -1.361 -0.284
117 2HB HIS 19 1HB HIS 19 1.129 -0.770 1.259
118 HD2 HIS 19 2HD HIS 19 0.124 1.599 2.086
119 HE1 HIS 19 1HE HIS 19 -2.242 2.345 -1.323
120 HE2 HIS 19 2HE HIS 19 -1.607 3.168 0.985
121 H MET 20 H MET 20 2.651 1.312 1.587
122 HA MET 20 HA MET 20 2.225 3.791 0.365
123 1HB MET 20 2HB MET 20 2.219 3.210 2.848
124 2HB MET 20 1HB MET 20 3.962 3.428 2.785
125 1HG MET 20 2HG MET 20 3.091 5.704 1.589
126 2HG MET 20 1HG MET 20 1.806 5.407 2.760
127 1HE MET 20 1HE MET 20 3.074 8.121 3.666
128 2HE MET 20 2HE MET 20 3.187 7.587 5.344
129 3HE MET 20 3HE MET 20 1.855 7.032 4.330
130 H THR 21 H THR 21 5.087 1.831 0.569
131 HA THR 21 HA THR 21 7.092 3.684 0.141
132 HB THR 21 HB THR 21 7.136 1.063 0.333
133 HG1 THR 21 1HG THR 21 9.127 1.689 0.337
134 1HG2 THR 21 1HG2 THR 21 7.155 -0.221 -1.509
135 2HG2 THR 21 2HG2 THR 21 7.808 1.060 -2.531
136 3HG2 THR 21 3HG2 THR 21 6.091 1.045 -2.123
137 H HIS 22 H HIS 22 4.551 2.638 -1.934
138 HA HIS 22 HA HIS 22 5.502 4.468 -4.020
139 1HB HIS 22 2HB HIS 22 4.610 2.856 -5.721
140 2HB HIS 22 1HB HIS 22 6.017 2.268 -4.838
141 HD1 HIS 22 1HD HIS 22 5.744 -0.137 -4.334
142 HD2 HIS 22 2HD HIS 22 2.148 1.918 -4.081
143 HE1 HIS 22 1HE HIS 22 4.042 -1.841 -3.601
144 HE2 HIS 22 2HE HIS 22 1.905 -0.544 -3.342
145 H CYS 23 H CYS 23 3.021 3.678 -1.892
146 HA CYS 23 HA CYS 23 1.015 4.924 -3.650
147 1HB CYS 23 2HB CYS 23 0.806 2.803 -1.551
148 2HB CYS 23 1HB CYS 23 -0.533 3.920 -1.743
149 H ALA 24 H ALA 24 0.730 6.998 -3.220
150 HA ALA 24 HA ALA 24 0.160 7.883 -0.544
151 1HB ALA 24 1HB ALA 24 2.760 7.870 -0.952
152 2HB ALA 24 2HB ALA 24 1.979 9.195 -0.089
153 3HB ALA 24 3HB ALA 24 2.409 9.383 -1.789
154 H LYS 25 H LYS 25 -1.267 7.814 -3.008
155 HA LYS 25 HA LYS 25 -2.001 10.614 -3.174
156 1HB LYS 25 2HB LYS 25 -1.951 10.586 -5.674
157 2HB LYS 25 1HB LYS 25 -0.362 10.540 -4.926
158 1HG LYS 25 2HG LYS 25 -1.604 7.939 -5.585
159 2HG LYS 25 1HG LYS 25 -1.064 8.943 -6.933
160 1HD LYS 25 2HD LYS 25 0.838 8.703 -4.698
161 2HD LYS 25 1HD LYS 25 0.526 7.211 -5.588
162 1HE LYS 25 2HE LYS 25 1.140 9.760 -7.036
163 2HE LYS 25 1HE LYS 25 2.438 8.767 -6.373
164 1HZ LYS 25 1HZ LYS 25 0.367 7.770 -8.253
165 2HZ LYS 25 2HZ LYS 25 1.732 6.932 -7.710
166 3HZ LYS 25 3HZ LYS 25 1.912 8.277 -8.720
Start of MODEL 2
1 1H ALA 1 1HT ALA 1 -2.477 4.259 2.558
2 2H ALA 1 2HT ALA 1 -0.818 3.841 2.695
3 3H ALA 1 3HT ALA 1 -1.580 4.752 3.934
4 HA ALA 1 HA ALA 1 -1.177 2.283 4.267
5 1HB ALA 1 1HB ALA 1 -2.358 3.256 5.966
6 2HB ALA 1 2HB ALA 1 -3.603 2.200 5.299
7 3HB ALA 1 3HB ALA 1 -3.587 3.915 4.885
8 H VAL 2 H VAL 2 -1.513 0.354 3.520
9 HA VAL 2 HA VAL 2 -2.656 -0.184 1.058
10 HB VAL 2 HB VAL 2 -1.006 -1.562 2.402
11 1HG1 VAL 2 1HG1 VAL 2 -2.798 -1.686 4.330
12 2HG1 VAL 2 2HG1 VAL 2 -1.661 -3.005 4.049
13 3HG1 VAL 2 3HG1 VAL 2 -3.313 -3.123 3.445
14 1HG2 VAL 2 1HG2 VAL 2 -1.620 -2.442 0.331
15 2HG2 VAL 2 2HG2 VAL 2 -3.281 -2.741 0.843
16 3HG2 VAL 2 3HG2 VAL 2 -1.974 -3.754 1.457
17 H SER 3 H SER 3 -4.157 0.077 4.163
18 HA SER 3 HA SER 3 -6.500 -1.433 3.586
19 1HB SER 3 2HB SER 3 -5.852 0.661 5.662
20 2HB SER 3 1HB SER 3 -7.445 -0.083 5.548
21 HG SER 3 HG SER 3 -6.578 -2.036 6.058
22 H ALA 4 H ALA 4 -5.514 1.887 3.118
23 HA ALA 4 HA ALA 4 -8.118 2.463 1.864
24 1HB ALA 4 1HB ALA 4 -6.342 4.720 2.530
25 2HB ALA 4 2HB ALA 4 -7.021 3.841 3.899
26 3HB ALA 4 3HB ALA 4 -8.090 4.561 2.696
27 H CYS 5 H CYS 5 -5.590 1.190 0.766
28 HA CYS 5 HA CYS 5 -4.145 2.812 -0.910
29 1HB CYS 5 2HB CYS 5 -3.613 0.472 -0.678
30 2HB CYS 5 1HB CYS 5 -5.152 0.004 -1.387
31 H ALA 6 H ALA 6 -4.470 3.880 -2.773
32 HA ALA 6 HA ALA 6 -7.174 4.251 -3.677
33 1HB ALA 6 1HB ALA 6 -4.788 5.378 -5.085
34 2HB ALA 6 2HB ALA 6 -5.274 6.001 -3.507
35 3HB ALA 6 3HB ALA 6 -6.393 6.075 -4.867
36 H LEU 7 H LEU 7 -4.339 2.528 -4.803
37 HA LEU 7 HA LEU 7 -5.713 1.856 -7.297
38 1HB LEU 7 2HB LEU 7 -3.503 0.871 -7.937
39 2HB LEU 7 1HB LEU 7 -3.509 2.603 -7.701
40 HG LEU 7 HG LEU 7 -2.713 1.863 -5.257
41 1HD1 LEU 7 1HD1 LEU 7 -2.305 -0.480 -6.980
42 2HD1 LEU 7 2HD1 LEU 7 -2.424 -0.364 -5.225
43 3HD1 LEU 7 3HD1 LEU 7 -0.903 0.016 -6.033
44 1HD2 LEU 7 1HD2 LEU 7 -1.272 2.479 -7.771
45 2HD2 LEU 7 2HD2 LEU 7 -0.315 1.926 -6.396
46 3HD2 LEU 7 3HD2 LEU 7 -1.323 3.365 -6.246
47 H SER 8 H SER 8 -4.878 -0.535 -7.995
48 HA SER 8 HA SER 8 -6.467 -2.345 -6.723
49 1HB SER 8 2HB SER 8 -3.995 -2.679 -8.388
50 2HB SER 8 1HB SER 8 -4.788 -4.092 -7.691
51 HG SER 8 HG SER 8 -5.723 -2.293 -9.630
52 H LYS 9 H LYS 9 -5.634 -4.465 -5.681
53 HA LYS 9 HA LYS 9 -4.790 -3.936 -3.100
54 1HB LYS 9 2HB LYS 9 -4.724 -6.463 -4.736
55 2HB LYS 9 1HB LYS 9 -4.219 -6.432 -3.053
56 1HG LYS 9 2HG LYS 9 -6.853 -5.246 -3.635
57 2HG LYS 9 1HG LYS 9 -6.715 -6.992 -3.847
58 1HD LYS 9 2HD LYS 9 -6.076 -7.314 -1.596
59 2HD LYS 9 1HD LYS 9 -5.777 -5.591 -1.357
60 1HE LYS 9 2HE LYS 9 -7.820 -5.845 -0.328
61 2HE LYS 9 1HE LYS 9 -8.305 -5.360 -1.952
62 1HZ LYS 9 1HZ LYS 9 -8.268 -7.960 -2.294
63 2HZ LYS 9 2HZ LYS 9 -9.629 -7.164 -1.683
64 3HZ LYS 9 3HZ LYS 9 -8.567 -7.951 -0.628
65 H CYS 10 H CYS 10 -2.866 -3.914 -2.036
66 HA CYS 10 HA CYS 10 -0.438 -4.171 -3.689
67 1HB CYS 10 2HB CYS 10 -1.200 -2.158 -1.603
68 2HB CYS 10 1HB CYS 10 0.499 -2.531 -1.878
69 H ALA 11 H ALA 11 0.961 -5.674 -3.067
70 HA ALA 11 HA ALA 11 2.058 -7.232 -1.824
71 1HB ALA 11 1HB ALA 11 1.204 -6.020 0.750
72 2HB ALA 11 2HB ALA 11 2.212 -5.055 -0.330
73 3HB ALA 11 3HB ALA 11 2.785 -6.619 0.249
74 H ALA 12 H ALA 12 1.519 -9.259 -1.289
75 HA ALA 12 HA ALA 12 -1.260 -9.769 -0.524
76 1HB ALA 12 1HB ALA 12 0.874 -11.524 -1.713
77 2HB ALA 12 2HB ALA 12 -0.629 -10.979 -2.457
78 3HB ALA 12 3HB ALA 12 -0.672 -12.147 -1.136
79 H ALA 13 H ALA 13 0.574 -8.787 1.452
80 HA ALA 13 HA ALA 13 0.235 -10.885 3.423
81 1HB ALA 13 1HB ALA 13 2.433 -11.410 2.522
82 2HB ALA 13 2HB ALA 13 2.562 -10.825 4.181
83 3HB ALA 13 3HB ALA 13 2.971 -9.761 2.836
84 H ALA 14 H ALA 14 -0.739 -8.123 2.853
85 HA ALA 14 HA ALA 14 -1.316 -6.262 4.023
86 1HB ALA 14 1HB ALA 14 -1.747 -6.521 6.246
87 2HB ALA 14 2HB ALA 14 -0.206 -7.316 6.566
88 3HB ALA 14 3HB ALA 14 -1.518 -8.214 5.805
89 H ASN 15 H ASN 15 1.331 -6.477 2.833
90 HA ASN 15 HA ASN 15 3.165 -5.154 4.619
91 1HB ASN 15 2HB ASN 15 3.525 -6.704 2.423
92 2HB ASN 15 1HB ASN 15 3.715 -5.105 1.713
93 1HD2 ASN 15 1HD2 ASN 15 4.844 -3.805 3.927
94 2HD2 ASN 15 2HD2 ASN 15 6.433 -4.438 4.170
95 H VAL 16 H VAL 16 1.706 -3.373 5.127
96 HA VAL 16 HA VAL 16 0.773 -1.508 3.275
97 HB VAL 16 HB VAL 16 1.626 -0.942 6.118
98 1HG1 VAL 16 1HG1 VAL 16 -0.580 0.604 5.515
99 2HG1 VAL 16 2HG1 VAL 16 0.384 0.667 4.041
100 3HG1 VAL 16 3HG1 VAL 16 1.093 1.157 5.578
101 1HG2 VAL 16 1HG2 VAL 16 -0.253 -1.903 6.899
102 2HG2 VAL 16 2HG2 VAL 16 -0.191 -2.815 5.390
103 3HG2 VAL 16 3HG2 VAL 16 -1.217 -1.386 5.516
104 H ALA 17 H ALA 17 3.843 -1.597 5.059
105 HA ALA 17 HA ALA 17 4.849 0.864 4.247
106 1HB ALA 17 1HB ALA 17 6.139 -1.704 5.075
107 2HB ALA 17 2HB ALA 17 6.098 -0.151 5.910
108 3HB ALA 17 3HB ALA 17 7.130 -0.364 4.496
109 H ALA 18 H ALA 18 5.013 -2.289 2.644
110 HA ALA 18 HA ALA 18 6.639 -1.472 0.481
111 1HB ALA 18 1HB ALA 18 6.128 -3.526 -0.514
112 2HB ALA 18 2HB ALA 18 4.544 -3.611 0.258
113 3HB ALA 18 3HB ALA 18 6.006 -3.854 1.214
114 H HIS 19 H HIS 19 3.255 -1.206 1.189
115 HA HIS 19 HA HIS 19 2.413 -0.492 -1.448
116 1HB HIS 19 2HB HIS 19 0.617 -1.311 -0.302
117 2HB HIS 19 1HB HIS 19 1.196 -0.718 1.245
118 HD2 HIS 19 2HD HIS 19 0.142 1.623 2.091
119 HE1 HIS 19 1HE HIS 19 -2.244 2.343 -1.310
120 HE2 HIS 19 2HE HIS 19 -1.624 3.161 1.004
121 H MET 20 H MET 20 2.670 1.393 1.589
122 HA MET 20 HA MET 20 2.192 3.873 0.386
123 1HB MET 20 2HB MET 20 2.197 3.271 2.865
124 2HB MET 20 1HB MET 20 3.935 3.530 2.804
125 1HG MET 20 2HG MET 20 3.013 5.793 1.627
126 2HG MET 20 1HG MET 20 1.734 5.458 2.791
127 1HE MET 20 1HE MET 20 2.928 8.095 3.213
128 2HE MET 20 2HE MET 20 3.534 8.121 4.869
129 3HE MET 20 3HE MET 20 1.977 7.374 4.510
130 H THR 21 H THR 21 5.096 1.974 0.581
131 HA THR 21 HA THR 21 7.060 3.874 0.168
132 HB THR 21 HB THR 21 7.162 1.253 0.343
133 HG1 THR 21 1HG THR 21 8.999 2.669 -1.280
134 1HG2 THR 21 1HG2 THR 21 7.835 1.295 -2.524
135 2HG2 THR 21 2HG2 THR 21 6.123 1.219 -2.110
136 3HG2 THR 21 3HG2 THR 21 7.229 -0.017 -1.512
137 H HIS 22 H HIS 22 4.546 2.786 -1.917
138 HA HIS 22 HA HIS 22 5.459 4.650 -3.991
139 1HB HIS 22 2HB HIS 22 4.611 3.031 -5.704
140 2HB HIS 22 1HB HIS 22 6.025 2.464 -4.817
141 HD1 HIS 22 1HD HIS 22 5.796 0.049 -4.339
142 HD2 HIS 22 2HD HIS 22 2.162 2.035 -4.076
143 HE1 HIS 22 1HE HIS 22 4.125 -1.693 -3.625
144 HE2 HIS 22 2HE HIS 22 1.964 -0.438 -3.359
145 H CYS 23 H CYS 23 2.993 3.790 -1.871
146 HA CYS 23 HA CYS 23 0.962 5.000 -3.626
147 1HB CYS 23 2HB CYS 23 0.798 2.864 -1.537
148 2HB CYS 23 1HB CYS 23 -0.567 3.951 -1.728
149 H ALA 24 H ALA 24 0.632 7.066 -3.186
150 HA ALA 24 HA ALA 24 -0.054 7.946 -0.559
151 1HB ALA 24 1HB ALA 24 2.585 8.859 -1.696
152 2HB ALA 24 2HB ALA 24 2.328 7.939 -0.213
153 3HB ALA 24 3HB ALA 24 1.770 9.609 -0.323
154 H LYS 25 H LYS 25 -1.259 7.966 -3.139
155 HA LYS 25 HA LYS 25 -1.882 10.793 -3.314
156 1HB LYS 25 2HB LYS 25 -1.606 10.810 -5.798
157 2HB LYS 25 1HB LYS 25 -0.093 10.694 -4.909
158 1HG LYS 25 2HG LYS 25 -0.564 8.093 -5.274
159 2HG LYS 25 1HG LYS 25 -1.411 8.735 -6.683
160 1HD LYS 25 2HD LYS 25 0.869 10.147 -6.840
161 2HD LYS 25 1HD LYS 25 1.477 8.688 -6.057
162 1HE LYS 25 2HE LYS 25 -0.061 7.605 -7.995
163 2HE LYS 25 1HE LYS 25 0.453 9.092 -8.790
164 1HZ LYS 25 1HZ LYS 25 1.903 7.004 -9.017
165 2HZ LYS 25 2HZ LYS 25 2.423 7.356 -7.448
166 3HZ LYS 25 3HZ LYS 25 2.666 8.477 -8.690
Start of MODEL 3
1 1H ALA 1 1HT ALA 1 -2.423 4.320 2.560
2 2H ALA 1 2HT ALA 1 -0.780 3.837 2.680
3 3H ALA 1 3HT ALA 1 -1.493 4.776 3.927
4 HA ALA 1 HA ALA 1 -1.183 2.305 4.276
5 1HB ALA 1 1HB ALA 1 -2.352 3.284 5.968
6 2HB ALA 1 2HB ALA 1 -3.646 2.314 5.265
7 3HB ALA 1 3HB ALA 1 -3.523 4.030 4.880
8 H VAL 2 H VAL 2 -1.567 0.382 3.534
9 HA VAL 2 HA VAL 2 -2.703 -0.139 1.067
10 HB VAL 2 HB VAL 2 -1.112 -1.558 2.445
11 1HG1 VAL 2 1HG1 VAL 2 -3.471 -3.060 3.452
12 2HG1 VAL 2 2HG1 VAL 2 -2.959 -1.621 4.335
13 3HG1 VAL 2 3HG1 VAL 2 -1.832 -2.957 4.096
14 1HG2 VAL 2 1HG2 VAL 2 -3.408 -2.710 0.886
15 2HG2 VAL 2 2HG2 VAL 2 -2.084 -3.715 1.476
16 3HG2 VAL 2 3HG2 VAL 2 -1.757 -2.397 0.349
17 H SER 3 H SER 3 -4.234 0.207 4.147
18 HA SER 3 HA SER 3 -6.615 -1.239 3.558
19 1HB SER 3 2HB SER 3 -5.697 0.613 5.691
20 2HB SER 3 1HB SER 3 -7.440 0.488 5.454
21 HG SER 3 HG SER 3 -7.089 -1.854 5.589
22 H ALA 4 H ALA 4 -5.528 2.049 3.077
23 HA ALA 4 HA ALA 4 -8.097 2.691 1.786
24 1HB ALA 4 1HB ALA 4 -6.111 4.763 2.649
25 2HB ALA 4 2HB ALA 4 -7.253 4.066 3.799
26 3HB ALA 4 3HB ALA 4 -7.846 4.926 2.378
27 H CYS 5 H CYS 5 -5.610 1.314 0.724
28 HA CYS 5 HA CYS 5 -4.102 2.865 -0.969
29 1HB CYS 5 2HB CYS 5 -3.640 0.516 -0.685
30 2HB CYS 5 1HB CYS 5 -5.185 0.077 -1.401
31 H ALA 6 H ALA 6 -4.402 3.944 -2.818
32 HA ALA 6 HA ALA 6 -7.060 4.425 -3.743
33 1HB ALA 6 1HB ALA 6 -4.615 5.283 -5.238
34 2HB ALA 6 2HB ALA 6 -5.035 6.029 -3.697
35 3HB ALA 6 3HB ALA 6 -6.160 6.113 -5.052
36 H LEU 7 H LEU 7 -4.372 2.459 -4.857
37 HA LEU 7 HA LEU 7 -5.889 1.737 -7.254
38 1HB LEU 7 2HB LEU 7 -3.760 0.620 -7.946
39 2HB LEU 7 1HB LEU 7 -3.678 2.362 -7.802
40 HG LEU 7 HG LEU 7 -2.793 1.704 -5.362
41 1HD1 LEU 7 1HD1 LEU 7 -2.599 -0.739 -6.969
42 2HD1 LEU 7 2HD1 LEU 7 -2.564 -0.522 -5.219
43 3HD1 LEU 7 3HD1 LEU 7 -1.102 -0.259 -6.169
44 1HD2 LEU 7 1HD2 LEU 7 -1.468 3.129 -6.594
45 2HD2 LEU 7 2HD2 LEU 7 -1.383 2.030 -7.971
46 3HD2 LEU 7 3HD2 LEU 7 -0.456 1.687 -6.510
47 H SER 8 H SER 8 -5.230 -0.713 -7.874
48 HA SER 8 HA SER 8 -6.812 -2.377 -6.402
49 1HB SER 8 2HB SER 8 -4.595 -2.826 -8.335
50 2HB SER 8 1HB SER 8 -5.156 -4.215 -7.404
51 HG SER 8 HG SER 8 -6.280 -3.891 -9.416
52 H LYS 9 H LYS 9 -5.975 -4.510 -5.357
53 HA LYS 9 HA LYS 9 -4.915 -3.924 -2.868
54 1HB LYS 9 2HB LYS 9 -6.185 -6.007 -3.601
55 2HB LYS 9 1HB LYS 9 -4.647 -6.617 -4.196
56 1HG LYS 9 2HG LYS 9 -3.733 -6.329 -1.887
57 2HG LYS 9 1HG LYS 9 -5.371 -5.945 -1.355
58 1HD LYS 9 2HD LYS 9 -5.108 -8.409 -2.942
59 2HD LYS 9 1HD LYS 9 -4.315 -8.440 -1.365
60 1HE LYS 9 2HE LYS 9 -6.350 -9.065 -0.633
61 2HE LYS 9 1HE LYS 9 -6.690 -7.336 -0.703
62 1HZ LYS 9 1HZ LYS 9 -7.542 -9.472 -2.526
63 2HZ LYS 9 2HZ LYS 9 -7.338 -7.911 -3.146
64 3HZ LYS 9 3HZ LYS 9 -8.434 -8.184 -1.886
65 H CYS 10 H CYS 10 -2.922 -3.747 -2.030
66 HA CYS 10 HA CYS 10 -0.651 -4.142 -3.856
67 1HB CYS 10 2HB CYS 10 -1.200 -2.197 -1.656
68 2HB CYS 10 1HB CYS 10 0.471 -2.640 -1.992
69 H ALA 11 H ALA 11 1.376 -4.889 -2.904
70 HA ALA 11 HA ALA 11 2.607 -6.428 -1.767
71 1HB ALA 11 1HB ALA 11 2.635 -5.346 0.219
72 2HB ALA 11 2HB ALA 11 1.672 -6.735 0.725
73 3HB ALA 11 3HB ALA 11 0.878 -5.219 0.300
74 H ALA 12 H ALA 12 2.198 -8.461 -0.134
75 HA ALA 12 HA ALA 12 -0.166 -9.929 -1.046
76 1HB ALA 12 1HB ALA 12 2.151 -10.311 -2.352
77 2HB ALA 12 2HB ALA 12 0.941 -11.574 -2.124
78 3HB ALA 12 3HB ALA 12 2.338 -11.488 -1.051
79 H ALA 13 H ALA 13 0.633 -8.742 1.507
80 HA ALA 13 HA ALA 13 -0.124 -10.831 3.228
81 1HB ALA 13 1HB ALA 13 2.358 -11.353 2.622
82 2HB ALA 13 2HB ALA 13 1.808 -11.503 4.292
83 3HB ALA 13 3HB ALA 13 2.711 -10.076 3.785
84 H ALA 14 H ALA 14 -0.840 -8.127 2.725
85 HA ALA 14 HA ALA 14 -1.492 -6.268 3.862
86 1HB ALA 14 1HB ALA 14 -1.050 -6.532 6.495
87 2HB ALA 14 2HB ALA 14 -0.971 -8.226 6.010
88 3HB ALA 14 3HB ALA 14 -2.416 -7.274 5.663
89 H ASN 15 H ASN 15 1.214 -6.504 2.830
90 HA ASN 15 HA ASN 15 2.956 -5.198 4.717
91 1HB ASN 15 2HB ASN 15 3.230 -6.526 2.183
92 2HB ASN 15 1HB ASN 15 4.002 -4.947 2.097
93 1HD2 ASN 15 1HD2 ASN 15 5.800 -4.530 3.331
94 2HD2 ASN 15 2HD2 ASN 15 6.665 -5.764 4.175
95 H VAL 16 H VAL 16 1.572 -3.377 5.177
96 HA VAL 16 HA VAL 16 0.696 -1.512 3.299
97 HB VAL 16 HB VAL 16 1.539 -0.936 6.142
98 1HG1 VAL 16 1HG1 VAL 16 -0.620 0.659 5.520
99 2HG1 VAL 16 2HG1 VAL 16 0.336 0.676 4.037
100 3HG1 VAL 16 3HG1 VAL 16 1.068 1.169 5.565
101 1HG2 VAL 16 1HG2 VAL 16 -0.366 -1.847 6.917
102 2HG2 VAL 16 2HG2 VAL 16 -0.314 -2.774 5.417
103 3HG2 VAL 16 3HG2 VAL 16 -1.308 -1.320 5.522
104 H ALA 17 H ALA 17 3.752 -1.660 5.100
105 HA ALA 17 HA ALA 17 4.821 0.773 4.277
106 1HB ALA 17 1HB ALA 17 6.362 -1.775 4.767
107 2HB ALA 17 2HB ALA 17 5.799 -0.680 6.029
108 3HB ALA 17 3HB ALA 17 6.988 -0.128 4.850
109 H ALA 18 H ALA 18 4.922 -2.398 2.703
110 HA ALA 18 HA ALA 18 6.579 -1.635 0.544
111 1HB ALA 18 1HB ALA 18 6.247 -3.736 -0.242
112 2HB ALA 18 2HB ALA 18 4.508 -3.687 0.046
113 3HB ALA 18 3HB ALA 18 5.615 -3.997 1.383
114 H HIS 19 H HIS 19 3.202 -1.289 1.231
115 HA HIS 19 HA HIS 19 2.389 -0.583 -1.419
116 1HB HIS 19 2HB HIS 19 0.571 -1.363 -0.282
117 2HB HIS 19 1HB HIS 19 1.151 -0.774 1.267
118 HD2 HIS 19 2HD HIS 19 0.127 1.582 2.100
119 HE1 HIS 19 1HE HIS 19 -2.218 2.339 -1.321
120 HE2 HIS 19 2HE HIS 19 -1.604 3.149 0.996
121 H MET 20 H MET 20 2.661 1.316 1.609
122 HA MET 20 HA MET 20 2.234 3.798 0.389
123 1HB MET 20 2HB MET 20 2.220 3.206 2.873
124 2HB MET 20 1HB MET 20 3.961 3.440 2.817
125 1HG MET 20 2HG MET 20 3.794 5.689 2.571
126 2HG MET 20 1HG MET 20 2.258 5.592 1.711
127 1HE MET 20 1HE MET 20 3.709 7.219 4.159
128 2HE MET 20 2HE MET 20 2.613 7.378 5.531
129 3HE MET 20 3HE MET 20 2.136 7.989 3.947
130 H THR 21 H THR 21 5.096 1.841 0.593
131 HA THR 21 HA THR 21 7.102 3.697 0.185
132 HB THR 21 HB THR 21 7.148 1.075 0.357
133 HG1 THR 21 1HG THR 21 9.118 1.796 0.402
134 1HG2 THR 21 1HG2 THR 21 7.265 -0.191 -1.519
135 2HG2 THR 21 2HG2 THR 21 7.764 1.161 -2.536
136 3HG2 THR 21 3HG2 THR 21 6.077 1.002 -2.045
137 H HIS 22 H HIS 22 4.571 2.660 -1.906
138 HA HIS 22 HA HIS 22 5.523 4.510 -3.976
139 1HB HIS 22 2HB HIS 22 4.617 2.909 -5.687
140 2HB HIS 22 1HB HIS 22 6.037 2.324 -4.822
141 HD1 HIS 22 1HD HIS 22 5.791 -0.080 -4.305
142 HD2 HIS 22 2HD HIS 22 2.171 1.934 -4.064
143 HE1 HIS 22 1HE HIS 22 4.105 -1.803 -3.580
144 HE2 HIS 22 2HE HIS 22 1.954 -0.531 -3.324
145 H CYS 23 H CYS 23 3.039 3.679 -1.861
146 HA CYS 23 HA CYS 23 1.034 4.963 -3.589
147 1HB CYS 23 2HB CYS 23 0.825 2.804 -1.525
148 2HB CYS 23 1HB CYS 23 -0.517 3.922 -1.707
149 H ALA 24 H ALA 24 2.892 6.545 -2.274
150 HA ALA 24 HA ALA 24 1.441 7.634 0.035
151 1HB ALA 24 1HB ALA 24 4.059 7.060 -0.152
152 2HB ALA 24 2HB ALA 24 3.413 8.318 0.900
153 3HB ALA 24 3HB ALA 24 4.081 8.744 -0.675
154 H LYS 25 H LYS 25 0.425 8.052 -2.592
155 HA LYS 25 HA LYS 25 1.183 10.582 -3.622
156 1HB LYS 25 2HB LYS 25 -1.408 9.058 -3.954
157 2HB LYS 25 1HB LYS 25 -0.914 10.442 -4.918
158 1HG LYS 25 2HG LYS 25 0.712 7.923 -4.764
159 2HG LYS 25 1HG LYS 25 -0.576 8.158 -5.947
160 1HD LYS 25 2HD LYS 25 0.808 10.451 -6.276
161 2HD LYS 25 1HD LYS 25 2.113 9.362 -5.799
162 1HE LYS 25 2HE LYS 25 0.173 8.452 -7.866
163 2HE LYS 25 1HE LYS 25 1.401 9.631 -8.324
164 1HZ LYS 25 1HZ LYS 25 2.241 7.459 -8.755
165 2HZ LYS 25 2HZ LYS 25 1.859 6.925 -7.197
166 3HZ LYS 25 3HZ LYS 25 3.082 8.072 -7.420
Start of MODEL 4
1 1H ALA 1 1HT ALA 1 -2.410 4.342 2.548
2 2H ALA 1 2HT ALA 1 -0.772 3.849 2.679
3 3H ALA 1 3HT ALA 1 -1.486 4.800 3.917
4 HA ALA 1 HA ALA 1 -1.194 2.329 4.282
5 1HB ALA 1 1HB ALA 1 -2.572 4.025 5.602
6 2HB ALA 1 2HB ALA 1 -3.020 2.327 5.753
7 3HB ALA 1 3HB ALA 1 -3.966 3.401 4.721
8 H VAL 2 H VAL 2 -1.582 0.405 3.545
9 HA VAL 2 HA VAL 2 -2.703 -0.123 1.075
10 HB VAL 2 HB VAL 2 -1.133 -1.545 2.473
11 1HG1 VAL 2 1HG1 VAL 2 -2.977 -1.586 4.357
12 2HG1 VAL 2 2HG1 VAL 2 -1.884 -2.949 4.114
13 3HG1 VAL 2 3HG1 VAL 2 -3.524 -3.009 3.470
14 1HG2 VAL 2 1HG2 VAL 2 -3.425 -2.704 0.910
15 2HG2 VAL 2 2HG2 VAL 2 -2.093 -3.697 1.501
16 3HG2 VAL 2 3HG2 VAL 2 -1.778 -2.380 0.370
17 H SER 3 H SER 3 -4.255 0.247 4.141
18 HA SER 3 HA SER 3 -6.642 -1.187 3.541
19 1HB SER 3 2HB SER 3 -5.728 0.671 5.670
20 2HB SER 3 1HB SER 3 -7.470 0.558 5.421
21 HG SER 3 HG SER 3 -5.774 -1.217 6.572
22 H ALA 4 H ALA 4 -5.536 2.100 3.065
23 HA ALA 4 HA ALA 4 -8.091 2.750 1.749
24 1HB ALA 4 1HB ALA 4 -6.210 4.932 2.402
25 2HB ALA 4 2HB ALA 4 -6.978 4.123 3.768
26 3HB ALA 4 3HB ALA 4 -7.969 4.874 2.518
27 H CYS 5 H CYS 5 -5.611 1.345 0.708
28 HA CYS 5 HA CYS 5 -4.088 2.875 -0.993
29 1HB CYS 5 2HB CYS 5 -3.633 0.528 -0.681
30 2HB CYS 5 1HB CYS 5 -5.176 0.086 -1.399
31 H ALA 6 H ALA 6 -4.385 3.949 -2.843
32 HA ALA 6 HA ALA 6 -7.027 4.444 -3.781
33 1HB ALA 6 1HB ALA 6 -4.313 5.418 -4.425
34 2HB ALA 6 2HB ALA 6 -5.797 6.315 -4.105
35 3HB ALA 6 3HB ALA 6 -5.535 5.578 -5.685
36 H LEU 7 H LEU 7 -4.377 2.412 -4.875
37 HA LEU 7 HA LEU 7 -5.935 1.658 -7.237
38 1HB LEU 7 2HB LEU 7 -3.826 0.509 -7.939
39 2HB LEU 7 1HB LEU 7 -3.727 2.252 -7.832
40 HG LEU 7 HG LEU 7 -2.810 1.635 -5.393
41 1HD1 LEU 7 1HD1 LEU 7 -2.668 -0.841 -6.947
42 2HD1 LEU 7 2HD1 LEU 7 -2.583 -0.585 -5.204
43 3HD1 LEU 7 3HD1 LEU 7 -1.146 -0.357 -6.200
44 1HD2 LEU 7 1HD2 LEU 7 -0.542 1.840 -6.339
45 2HD2 LEU 7 2HD2 LEU 7 -1.661 3.038 -6.988
46 3HD2 LEU 7 3HD2 LEU 7 -1.221 1.629 -7.952
47 H SER 8 H SER 8 -5.311 -0.808 -7.818
48 HA SER 8 HA SER 8 -6.877 -2.427 -6.275
49 1HB SER 8 2HB SER 8 -5.942 -2.909 -8.583
50 2HB SER 8 1HB SER 8 -4.470 -3.452 -7.778
51 HG SER 8 HG SER 8 -6.004 -5.145 -8.238
52 H LYS 9 H LYS 9 -6.017 -4.561 -5.231
53 HA LYS 9 HA LYS 9 -4.895 -3.944 -2.774
54 1HB LYS 9 2HB LYS 9 -5.113 -6.547 -4.272
55 2HB LYS 9 1HB LYS 9 -4.429 -6.461 -2.653
56 1HG LYS 9 2HG LYS 9 -6.446 -5.943 -1.679
57 2HG LYS 9 1HG LYS 9 -7.115 -5.276 -3.170
58 1HD LYS 9 2HD LYS 9 -7.556 -7.388 -4.058
59 2HD LYS 9 1HD LYS 9 -6.440 -8.189 -2.950
60 1HE LYS 9 2HE LYS 9 -7.924 -7.831 -1.101
61 2HE LYS 9 1HE LYS 9 -8.985 -6.827 -2.088
62 1HZ LYS 9 1HZ LYS 9 -8.449 -9.673 -2.712
63 2HZ LYS 9 2HZ LYS 9 -9.676 -8.685 -3.330
64 3HZ LYS 9 3HZ LYS 9 -9.726 -9.183 -1.715
65 H CYS 10 H CYS 10 -2.886 -3.707 -2.014
66 HA CYS 10 HA CYS 10 -0.664 -4.125 -3.890
67 1HB CYS 10 2HB CYS 10 -1.159 -2.202 -1.661
68 2HB CYS 10 1HB CYS 10 0.505 -2.654 -2.019
69 H ALA 11 H ALA 11 1.386 -4.892 -3.009
70 HA ALA 11 HA ALA 11 2.646 -6.448 -1.928
71 1HB ALA 11 1HB ALA 11 1.658 -4.849 0.012
72 2HB ALA 11 2HB ALA 11 2.785 -6.174 0.302
73 3HB ALA 11 3HB ALA 11 1.056 -6.419 0.547
74 H ALA 12 H ALA 12 2.129 -8.436 -0.136
75 HA ALA 12 HA ALA 12 -0.211 -9.905 -1.071
76 1HB ALA 12 1HB ALA 12 2.470 -11.244 -1.209
77 2HB ALA 12 2HB ALA 12 1.805 -10.362 -2.584
78 3HB ALA 12 3HB ALA 12 0.940 -11.751 -1.925
79 H ALA 13 H ALA 13 0.624 -8.731 1.467
80 HA ALA 13 HA ALA 13 -0.096 -10.835 3.192
81 1HB ALA 13 1HB ALA 13 2.127 -11.682 2.831
82 2HB ALA 13 2HB ALA 13 2.016 -11.043 4.472
83 3HB ALA 13 3HB ALA 13 2.831 -10.110 3.215
84 H ALA 14 H ALA 14 -0.835 -8.124 2.688
85 HA ALA 14 HA ALA 14 -1.494 -6.270 3.828
86 1HB ALA 14 1HB ALA 14 -2.035 -6.496 6.046
87 2HB ALA 14 2HB ALA 14 -0.567 -7.398 6.426
88 3HB ALA 14 3HB ALA 14 -1.893 -8.190 5.574
89 H ASN 15 H ASN 15 1.226 -6.506 2.824
90 HA ASN 15 HA ASN 15 2.945 -5.203 4.735
91 1HB ASN 15 2HB ASN 15 3.254 -6.531 2.208
92 2HB ASN 15 1HB ASN 15 4.020 -4.949 2.125
93 1HD2 ASN 15 1HD2 ASN 15 5.691 -4.455 3.594
94 2HD2 ASN 15 2HD2 ASN 15 6.597 -5.707 4.367
95 H VAL 16 H VAL 16 1.561 -3.382 5.183
96 HA VAL 16 HA VAL 16 0.698 -1.515 3.302
97 HB VAL 16 HB VAL 16 1.529 -0.940 6.149
98 1HG1 VAL 16 1HG1 VAL 16 -0.624 0.658 5.523
99 2HG1 VAL 16 2HG1 VAL 16 0.329 0.670 4.039
100 3HG1 VAL 16 3HG1 VAL 16 1.065 1.166 5.563
101 1HG2 VAL 16 1HG2 VAL 16 -0.380 -1.854 6.914
102 2HG2 VAL 16 2HG2 VAL 16 -0.326 -2.776 5.411
103 3HG2 VAL 16 3HG2 VAL 16 -1.317 -1.321 5.519
104 H ALA 17 H ALA 17 3.745 -1.665 5.118
105 HA ALA 17 HA ALA 17 4.819 0.767 4.303
106 1HB ALA 17 1HB ALA 17 5.942 -1.789 5.298
107 2HB ALA 17 2HB ALA 17 6.130 -0.149 5.920
108 3HB ALA 17 3HB ALA 17 7.058 -0.672 4.513
109 H ALA 18 H ALA 18 4.926 -2.399 2.721
110 HA ALA 18 HA ALA 18 6.592 -1.629 0.570
111 1HB ALA 18 1HB ALA 18 5.911 -3.659 -0.494
112 2HB ALA 18 2HB ALA 18 4.458 -3.760 0.500
113 3HB ALA 18 3HB ALA 18 6.046 -3.988 1.233
114 H HIS 19 H HIS 19 3.210 -1.291 1.245
115 HA HIS 19 HA HIS 19 2.408 -0.578 -1.406
116 1HB HIS 19 2HB HIS 19 0.586 -1.363 -0.279
117 2HB HIS 19 1HB HIS 19 1.158 -0.779 1.274
118 HD2 HIS 19 2HD HIS 19 0.137 1.581 2.107
119 HE1 HIS 19 1HE HIS 19 -2.203 2.337 -1.318
120 HE2 HIS 19 2HE HIS 19 -1.592 3.148 1.000
121 H MET 20 H MET 20 2.666 1.311 1.629
122 HA MET 20 HA MET 20 2.237 3.795 0.419
123 1HB MET 20 2HB MET 20 2.216 3.199 2.899
124 2HB MET 20 1HB MET 20 3.958 3.428 2.849
125 1HG MET 20 2HG MET 20 3.798 5.679 2.611
126 2HG MET 20 1HG MET 20 2.265 5.589 1.747
127 1HE MET 20 1HE MET 20 0.906 7.671 3.540
128 2HE MET 20 2HE MET 20 -0.272 6.462 4.051
129 3HE MET 20 3HE MET 20 0.435 6.376 2.438
130 H THR 21 H THR 21 5.105 1.848 0.628
131 HA THR 21 HA THR 21 7.106 3.712 0.227
132 HB THR 21 HB THR 21 7.159 1.090 0.400
133 HG1 THR 21 1HG THR 21 9.154 1.692 0.409
134 1HG2 THR 21 1HG2 THR 21 7.259 -0.178 -1.467
135 2HG2 THR 21 2HG2 THR 21 7.809 1.157 -2.480
136 3HG2 THR 21 3HG2 THR 21 6.109 1.037 -2.026
137 H HIS 22 H HIS 22 4.583 2.670 -1.872
138 HA HIS 22 HA HIS 22 5.540 4.521 -3.939
139 1HB HIS 22 2HB HIS 22 4.659 2.916 -5.656
140 2HB HIS 22 1HB HIS 22 6.069 2.332 -4.774
141 HD1 HIS 22 1HD HIS 22 5.815 -0.076 -4.279
142 HD2 HIS 22 2HD HIS 22 2.198 1.945 -4.039
143 HE1 HIS 22 1HE HIS 22 4.126 -1.799 -3.565
144 HE2 HIS 22 2HE HIS 22 1.975 -0.523 -3.311
145 H CYS 23 H CYS 23 3.048 3.704 -1.833
146 HA CYS 23 HA CYS 23 1.049 4.955 -3.594
147 1HB CYS 23 2HB CYS 23 0.838 2.815 -1.515
148 2HB CYS 23 1HB CYS 23 -0.506 3.930 -1.701
149 H ALA 24 H ALA 24 0.750 7.024 -3.149
150 HA ALA 24 HA ALA 24 0.138 7.892 -0.483
151 1HB ALA 24 1HB ALA 24 2.414 8.097 -0.085
152 2HB ALA 24 2HB ALA 24 1.966 9.716 -0.618
153 3HB ALA 24 3HB ALA 24 2.760 8.608 -1.736
154 H LYS 25 H LYS 25 -1.220 7.861 -2.987
155 HA LYS 25 HA LYS 25 -1.931 10.667 -3.139
156 1HB LYS 25 2HB LYS 25 -1.839 10.590 -5.674
157 2HB LYS 25 1HB LYS 25 -0.291 10.693 -4.846
158 1HG LYS 25 2HG LYS 25 -1.301 7.989 -5.508
159 2HG LYS 25 1HG LYS 25 -0.734 9.001 -6.838
160 1HD LYS 25 2HD LYS 25 1.013 8.936 -4.470
161 2HD LYS 25 1HD LYS 25 0.867 7.409 -5.343
162 1HE LYS 25 2HE LYS 25 1.331 9.889 -6.915
163 2HE LYS 25 1HE LYS 25 2.680 9.227 -5.992
164 1HZ LYS 25 1HZ LYS 25 2.352 8.455 -8.394
165 2HZ LYS 25 2HZ LYS 25 1.088 7.509 -7.788
166 3HZ LYS 25 3HZ LYS 25 2.664 7.277 -7.220
Start of MODEL 5
1 1H ALA 1 1HT ALA 1 -2.414 4.324 2.540
2 2H ALA 1 2HT ALA 1 -0.771 3.844 2.672
3 3H ALA 1 3HT ALA 1 -1.493 4.790 3.909
4 HA ALA 1 HA ALA 1 -1.181 2.317 4.268
5 1HB ALA 1 1HB ALA 1 -3.945 3.409 4.726
6 2HB ALA 1 2HB ALA 1 -2.538 3.985 5.620
7 3HB ALA 1 3HB ALA 1 -3.023 2.293 5.735
8 H VAL 2 H VAL 2 -1.566 0.393 3.531
9 HA VAL 2 HA VAL 2 -2.705 -0.135 1.066
10 HB VAL 2 HB VAL 2 -1.115 -1.551 2.448
11 1HG1 VAL 2 1HG1 VAL 2 -3.486 -3.032 3.465
12 2HG1 VAL 2 2HG1 VAL 2 -2.941 -1.606 4.348
13 3HG1 VAL 2 3HG1 VAL 2 -1.840 -2.960 4.095
14 1HG2 VAL 2 1HG2 VAL 2 -3.413 -2.709 0.896
15 2HG2 VAL 2 2HG2 VAL 2 -2.085 -3.709 1.486
16 3HG2 VAL 2 3HG2 VAL 2 -1.765 -2.394 0.355
17 H SER 3 H SER 3 -4.232 0.220 4.148
18 HA SER 3 HA SER 3 -6.615 -1.225 3.566
19 1HB SER 3 2HB SER 3 -5.692 0.633 5.692
20 2HB SER 3 1HB SER 3 -7.435 0.510 5.458
21 HG SER 3 HG SER 3 -5.665 -1.313 6.496
22 H ALA 4 H ALA 4 -5.525 2.061 3.074
23 HA ALA 4 HA ALA 4 -8.094 2.701 1.783
24 1HB ALA 4 1HB ALA 4 -7.098 5.123 2.062
25 2HB ALA 4 2HB ALA 4 -6.171 4.348 3.348
26 3HB ALA 4 3HB ALA 4 -7.934 4.322 3.391
27 H CYS 5 H CYS 5 -5.607 1.321 0.724
28 HA CYS 5 HA CYS 5 -4.101 2.868 -0.973
29 1HB CYS 5 2HB CYS 5 -3.636 0.520 -0.683
30 2HB CYS 5 1HB CYS 5 -5.182 0.079 -1.397
31 H ALA 6 H ALA 6 -4.402 3.945 -2.824
32 HA ALA 6 HA ALA 6 -7.059 4.424 -3.748
33 1HB ALA 6 1HB ALA 6 -6.134 6.066 -5.139
34 2HB ALA 6 2HB ALA 6 -4.561 5.271 -5.181
35 3HB ALA 6 3HB ALA 6 -5.109 6.065 -3.704
36 H LEU 7 H LEU 7 -4.374 2.450 -4.859
37 HA LEU 7 HA LEU 7 -5.897 1.722 -7.252
38 1HB LEU 7 2HB LEU 7 -3.770 0.602 -7.944
39 2HB LEU 7 1HB LEU 7 -3.687 2.343 -7.806
40 HG LEU 7 HG LEU 7 -2.798 1.692 -5.366
41 1HD1 LEU 7 1HD1 LEU 7 -2.608 -0.755 -6.965
42 2HD1 LEU 7 2HD1 LEU 7 -2.567 -0.532 -5.217
43 3HD1 LEU 7 3HD1 LEU 7 -1.108 -0.274 -6.173
44 1HD2 LEU 7 1HD2 LEU 7 -1.551 3.134 -6.738
45 2HD2 LEU 7 2HD2 LEU 7 -1.301 1.888 -7.960
46 3HD2 LEU 7 3HD2 LEU 7 -0.477 1.776 -6.405
47 H SER 8 H SER 8 -5.240 -0.730 -7.865
48 HA SER 8 HA SER 8 -6.820 -2.389 -6.384
49 1HB SER 8 2HB SER 8 -5.620 -2.735 -8.689
50 2HB SER 8 1HB SER 8 -4.395 -3.543 -7.711
51 HG SER 8 HG SER 8 -5.762 -5.148 -8.146
52 H LYS 9 H LYS 9 -5.982 -4.520 -5.334
53 HA LYS 9 HA LYS 9 -4.913 -3.922 -2.849
54 1HB LYS 9 2HB LYS 9 -5.281 -6.454 -4.392
55 2HB LYS 9 1HB LYS 9 -4.351 -6.500 -2.900
56 1HG LYS 9 2HG LYS 9 -6.216 -5.713 -1.631
57 2HG LYS 9 1HG LYS 9 -7.146 -5.405 -3.099
58 1HD LYS 9 2HD LYS 9 -7.186 -7.785 -3.597
59 2HD LYS 9 1HD LYS 9 -6.193 -8.116 -2.176
60 1HE LYS 9 2HE LYS 9 -8.220 -8.516 -1.244
61 2HE LYS 9 1HE LYS 9 -8.180 -6.770 -1.001
62 1HZ LYS 9 1HZ LYS 9 -9.425 -8.087 -3.351
63 2HZ LYS 9 2HZ LYS 9 -9.512 -6.450 -2.935
64 3HZ LYS 9 3HZ LYS 9 -10.280 -7.608 -1.971
65 H CYS 10 H CYS 10 -2.919 -3.734 -2.023
66 HA CYS 10 HA CYS 10 -0.655 -4.142 -3.856
67 1HB CYS 10 2HB CYS 10 -1.192 -2.195 -1.654
68 2HB CYS 10 1HB CYS 10 0.476 -2.642 -1.995
69 H ALA 11 H ALA 11 1.379 -4.880 -2.900
70 HA ALA 11 HA ALA 11 2.613 -6.421 -1.766
71 1HB ALA 11 1HB ALA 11 0.874 -5.225 0.304
72 2HB ALA 11 2HB ALA 11 2.633 -5.340 0.223
73 3HB ALA 11 3HB ALA 11 1.679 -6.737 0.725
74 H ALA 12 H ALA 12 2.209 -8.459 -0.141
75 HA ALA 12 HA ALA 12 -0.149 -9.931 -1.064
76 1HB ALA 12 1HB ALA 12 1.276 -10.797 -2.637
77 2HB ALA 12 2HB ALA 12 1.534 -11.932 -1.313
78 3HB ALA 12 3HB ALA 12 2.694 -10.635 -1.603
79 H ALA 13 H ALA 13 0.636 -8.745 1.496
80 HA ALA 13 HA ALA 13 -0.131 -10.834 3.211
81 1HB ALA 13 1HB ALA 13 2.137 -11.660 2.807
82 2HB ALA 13 2HB ALA 13 1.916 -11.177 4.489
83 3HB ALA 13 3HB ALA 13 2.797 -10.127 3.379
84 H ALA 14 H ALA 14 -0.842 -8.130 2.711
85 HA ALA 14 HA ALA 14 -1.494 -6.271 3.848
86 1HB ALA 14 1HB ALA 14 -0.978 -8.230 5.995
87 2HB ALA 14 2HB ALA 14 -2.421 -7.278 5.648
88 3HB ALA 14 3HB ALA 14 -1.056 -6.537 6.482
89 H ASN 15 H ASN 15 1.212 -6.508 2.819
90 HA ASN 15 HA ASN 15 2.954 -5.207 4.709
91 1HB ASN 15 2HB ASN 15 3.228 -6.530 2.173
92 2HB ASN 15 1HB ASN 15 4.002 -4.951 2.091
93 1HD2 ASN 15 1HD2 ASN 15 6.021 -5.977 1.925
94 2HD2 ASN 15 2HD2 ASN 15 6.798 -6.657 3.310
95 H VAL 16 H VAL 16 1.566 -3.386 5.169
96 HA VAL 16 HA VAL 16 0.694 -1.517 3.294
97 HB VAL 16 HB VAL 16 1.533 -0.948 6.141
98 1HG1 VAL 16 1HG1 VAL 16 -0.625 0.649 5.516
99 2HG1 VAL 16 2HG1 VAL 16 0.340 0.671 4.039
100 3HG1 VAL 16 3HG1 VAL 16 1.063 1.158 5.572
101 1HG2 VAL 16 1HG2 VAL 16 -0.377 -1.857 6.910
102 2HG2 VAL 16 2HG2 VAL 16 -0.320 -2.783 5.409
103 3HG2 VAL 16 3HG2 VAL 16 -1.313 -1.328 5.512
104 H ALA 17 H ALA 17 3.747 -1.668 5.100
105 HA ALA 17 HA ALA 17 4.817 0.765 4.284
106 1HB ALA 17 1HB ALA 17 5.786 -0.708 6.033
107 2HB ALA 17 2HB ALA 17 6.978 -0.126 4.871
108 3HB ALA 17 3HB ALA 17 6.369 -1.778 4.759
109 H ALA 18 H ALA 18 4.921 -2.401 2.702
110 HA ALA 18 HA ALA 18 6.581 -1.632 0.547
111 1HB ALA 18 1HB ALA 18 5.988 -3.676 -0.468
112 2HB ALA 18 2HB ALA 18 4.443 -3.742 0.380
113 3HB ALA 18 3HB ALA 18 5.947 -3.995 1.266
114 H HIS 19 H HIS 19 3.201 -1.293 1.230
115 HA HIS 19 HA HIS 19 2.392 -0.579 -1.419
116 1HB HIS 19 2HB HIS 19 0.573 -1.361 -0.286
117 2HB HIS 19 1HB HIS 19 1.150 -0.776 1.265
118 HD2 HIS 19 2HD HIS 19 0.132 1.587 2.096
119 HE1 HIS 19 1HE HIS 19 -2.214 2.342 -1.324
120 HE2 HIS 19 2HE HIS 19 -1.597 3.154 0.992
121 H MET 20 H MET 20 2.660 1.311 1.614
122 HA MET 20 HA MET 20 2.232 3.795 0.401
123 1HB MET 20 2HB MET 20 2.214 3.202 2.881
124 2HB MET 20 1HB MET 20 3.956 3.428 2.830
125 1HG MET 20 2HG MET 20 3.801 5.679 2.588
126 2HG MET 20 1HG MET 20 2.265 5.590 1.727
127 1HE MET 20 1HE MET 20 0.768 7.493 3.234
128 2HE MET 20 2HE MET 20 -0.283 6.422 4.159
129 3HE MET 20 3HE MET 20 0.200 5.982 2.522
130 H THR 21 H THR 21 5.098 1.845 0.608
131 HA THR 21 HA THR 21 7.099 3.706 0.202
132 HB THR 21 HB THR 21 7.151 1.084 0.379
133 HG1 THR 21 1HG THR 21 9.268 1.153 -0.369
134 1HG2 THR 21 1HG2 THR 21 7.216 -0.188 -1.478
135 2HG2 THR 21 2HG2 THR 21 7.820 1.124 -2.492
136 3HG2 THR 21 3HG2 THR 21 6.110 1.054 -2.065
137 H HIS 22 H HIS 22 4.573 2.663 -1.892
138 HA HIS 22 HA HIS 22 5.529 4.510 -3.963
139 1HB HIS 22 2HB HIS 22 4.646 2.904 -5.676
140 2HB HIS 22 1HB HIS 22 6.055 2.319 -4.794
141 HD1 HIS 22 1HD HIS 22 5.796 -0.089 -4.298
142 HD2 HIS 22 2HD HIS 22 2.184 1.941 -4.054
143 HE1 HIS 22 1HE HIS 22 4.102 -1.807 -3.580
144 HE2 HIS 22 2HE HIS 22 1.956 -0.525 -3.324
145 H CYS 23 H CYS 23 3.040 3.698 -1.851
146 HA CYS 23 HA CYS 23 1.039 4.950 -3.611
147 1HB CYS 23 2HB CYS 23 0.828 2.813 -1.528
148 2HB CYS 23 1HB CYS 23 -0.514 3.930 -1.715
149 H ALA 24 H ALA 24 0.746 7.020 -3.171
150 HA ALA 24 HA ALA 24 0.061 7.916 -0.554
151 1HB ALA 24 1HB ALA 24 2.827 8.342 -1.539
152 2HB ALA 24 2HB ALA 24 2.230 8.122 0.106
153 3HB ALA 24 3HB ALA 24 2.040 9.679 -0.700
154 H LYS 25 H LYS 25 -1.192 7.984 -3.062
155 HA LYS 25 HA LYS 25 -1.618 10.848 -3.313
156 1HB LYS 25 2HB LYS 25 -1.412 10.855 -5.739
157 2HB LYS 25 1HB LYS 25 0.103 10.356 -5.002
158 1HG LYS 25 2HG LYS 25 -1.746 8.181 -5.722
159 2HG LYS 25 1HG LYS 25 -1.049 9.086 -7.067
160 1HD LYS 25 2HD LYS 25 1.166 8.722 -5.624
161 2HD LYS 25 1HD LYS 25 0.258 7.307 -5.088
162 1HE LYS 25 2HE LYS 25 0.193 6.383 -7.211
163 2HE LYS 25 1HE LYS 25 0.471 7.932 -8.003
164 1HZ LYS 25 1HZ LYS 25 2.727 7.866 -7.513
165 2HZ LYS 25 2HZ LYS 25 2.380 6.265 -7.933
166 3HZ LYS 25 3HZ LYS 25 2.546 6.693 -6.306
Start of MODEL 6
1 1H ALA 1 1HT ALA 1 -2.308 4.532 2.810
2 2H ALA 1 2HT ALA 1 -0.675 4.017 2.930
3 3H ALA 1 3HT ALA 1 -1.359 4.999 4.159
4 HA ALA 1 HA ALA 1 -1.097 2.519 4.542
5 1HB ALA 1 1HB ALA 1 -2.190 3.778 6.179
6 2HB ALA 1 2HB ALA 1 -3.368 2.543 5.733
7 3HB ALA 1 3HB ALA 1 -3.529 4.184 5.106
8 H VAL 2 H VAL 2 -1.575 0.592 3.855
9 HA VAL 2 HA VAL 2 -2.808 0.085 1.422
10 HB VAL 2 HB VAL 2 -1.193 -1.362 2.767
11 1HG1 VAL 2 1HG1 VAL 2 -3.509 -2.880 3.806
12 2HG1 VAL 2 2HG1 VAL 2 -3.074 -1.404 4.667
13 3HG1 VAL 2 3HG1 VAL 2 -1.884 -2.690 4.465
14 1HG2 VAL 2 1HG2 VAL 2 -1.906 -2.172 0.679
15 2HG2 VAL 2 2HG2 VAL 2 -3.546 -2.470 1.257
16 3HG2 VAL 2 3HG2 VAL 2 -2.217 -3.493 1.807
17 H SER 3 H SER 3 -4.200 0.494 4.557
18 HA SER 3 HA SER 3 -6.631 -0.913 4.084
19 1HB SER 3 2HB SER 3 -5.567 -0.121 6.338
20 2HB SER 3 1HB SER 3 -6.425 1.385 6.007
21 HG SER 3 HG SER 3 -7.707 -1.137 5.957
22 H ALA 4 H ALA 4 -5.534 2.379 3.567
23 HA ALA 4 HA ALA 4 -8.174 3.085 2.482
24 1HB ALA 4 1HB ALA 4 -6.010 5.087 2.971
25 2HB ALA 4 2HB ALA 4 -6.971 4.473 4.316
26 3HB ALA 4 3HB ALA 4 -7.760 5.305 2.975
27 H CYS 5 H CYS 5 -5.774 1.588 1.228
28 HA CYS 5 HA CYS 5 -4.643 3.167 -0.786
29 1HB CYS 5 2HB CYS 5 -3.771 0.960 -0.230
30 2HB CYS 5 1HB CYS 5 -5.258 0.207 -0.788
31 H ALA 6 H ALA 6 -5.149 3.457 -2.960
32 HA ALA 6 HA ALA 6 -8.002 3.113 -3.591
33 1HB ALA 6 1HB ALA 6 -7.269 4.917 -5.400
34 2HB ALA 6 2HB ALA 6 -6.037 5.253 -4.183
35 3HB ALA 6 3HB ALA 6 -7.746 5.367 -3.762
36 H LEU 7 H LEU 7 -4.744 2.487 -4.669
37 HA LEU 7 HA LEU 7 -5.758 1.295 -7.143
38 1HB LEU 7 2HB LEU 7 -3.555 1.440 -7.999
39 2HB LEU 7 1HB LEU 7 -3.929 2.983 -7.267
40 HG LEU 7 HG LEU 7 -2.703 1.670 -5.204
41 1HD1 LEU 7 1HD1 LEU 7 -1.886 0.400 -7.698
42 2HD1 LEU 7 2HD1 LEU 7 -1.644 -0.115 -6.029
43 3HD1 LEU 7 3HD1 LEU 7 -0.535 1.041 -6.762
44 1HD2 LEU 7 1HD2 LEU 7 -2.126 3.882 -5.609
45 2HD2 LEU 7 2HD2 LEU 7 -1.726 3.573 -7.298
46 3HD2 LEU 7 3HD2 LEU 7 -0.649 3.009 -6.020
47 H SER 8 H SER 8 -6.263 -0.786 -6.930
48 HA SER 8 HA SER 8 -5.538 -2.515 -4.929
49 1HB SER 8 2HB SER 8 -7.175 -2.703 -7.065
50 2HB SER 8 1HB SER 8 -5.859 -3.745 -7.604
51 HG SER 8 HG SER 8 -7.717 -4.134 -5.614
52 H LYS 9 H LYS 9 -4.351 -4.712 -5.493
53 HA LYS 9 HA LYS 9 -2.375 -5.791 -5.803
54 1HB LYS 9 2HB LYS 9 -2.486 -3.896 -8.066
55 2HB LYS 9 1HB LYS 9 -0.887 -4.517 -7.680
56 1HG LYS 9 2HG LYS 9 -2.003 -5.854 -9.390
57 2HG LYS 9 1HG LYS 9 -1.679 -6.793 -7.931
58 1HD LYS 9 2HD LYS 9 -4.292 -5.464 -7.956
59 2HD LYS 9 1HD LYS 9 -4.083 -6.676 -9.222
60 1HE LYS 9 2HE LYS 9 -4.050 -8.389 -7.756
61 2HE LYS 9 1HE LYS 9 -3.147 -7.474 -6.550
62 1HZ LYS 9 1HZ LYS 9 -5.391 -6.206 -6.319
63 2HZ LYS 9 2HZ LYS 9 -5.173 -7.690 -5.538
64 3HZ LYS 9 3HZ LYS 9 -6.048 -7.617 -6.983
65 H CYS 10 H CYS 10 -1.765 -5.128 -3.673
66 HA CYS 10 HA CYS 10 0.691 -3.595 -3.675
67 1HB CYS 10 2HB CYS 10 -1.720 -2.735 -2.070
68 2HB CYS 10 1HB CYS 10 -0.081 -2.207 -1.710
69 H ALA 11 H ALA 11 1.322 -5.851 -3.259
70 HA ALA 11 HA ALA 11 2.130 -7.460 -1.867
71 1HB ALA 11 1HB ALA 11 1.793 -5.128 -0.078
72 2HB ALA 11 2HB ALA 11 3.223 -6.103 -0.418
73 3HB ALA 11 3HB ALA 11 1.992 -6.701 0.695
74 H ALA 12 H ALA 12 1.163 -9.315 -1.383
75 HA ALA 12 HA ALA 12 -1.626 -9.257 -0.498
76 1HB ALA 12 1HB ALA 12 -0.979 -10.560 -2.525
77 2HB ALA 12 2HB ALA 12 -1.790 -11.512 -1.281
78 3HB ALA 12 3HB ALA 12 -0.040 -11.625 -1.478
79 H ALA 13 H ALA 13 0.442 -8.652 1.397
80 HA ALA 13 HA ALA 13 -0.128 -10.762 3.338
81 1HB ALA 13 1HB ALA 13 2.599 -9.893 2.475
82 2HB ALA 13 2HB ALA 13 1.978 -11.519 2.762
83 3HB ALA 13 3HB ALA 13 2.328 -10.455 4.125
84 H ALA 14 H ALA 14 -1.023 -7.971 2.871
85 HA ALA 14 HA ALA 14 -1.541 -6.126 4.093
86 1HB ALA 14 1HB ALA 14 -2.365 -7.342 5.859
87 2HB ALA 14 2HB ALA 14 -1.091 -6.420 6.658
88 3HB ALA 14 3HB ALA 14 -0.810 -8.100 6.204
89 H ASN 15 H ASN 15 1.114 -6.410 2.915
90 HA ASN 15 HA ASN 15 2.965 -5.168 4.746
91 1HB ASN 15 2HB ASN 15 3.460 -6.765 2.724
92 2HB ASN 15 1HB ASN 15 3.406 -5.278 1.782
93 1HD2 ASN 15 1HD2 ASN 15 5.257 -7.256 3.803
94 2HD2 ASN 15 2HD2 ASN 15 6.630 -6.220 3.969
95 H VAL 16 H VAL 16 1.739 -3.289 5.294
96 HA VAL 16 HA VAL 16 0.778 -1.402 3.478
97 HB VAL 16 HB VAL 16 1.867 -0.835 6.237
98 1HG1 VAL 16 1HG1 VAL 16 -0.210 0.851 5.903
99 2HG1 VAL 16 2HG1 VAL 16 0.380 0.745 4.245
100 3HG1 VAL 16 3HG1 VAL 16 1.462 1.270 5.534
101 1HG2 VAL 16 1HG2 VAL 16 0.018 -1.702 7.178
102 2HG2 VAL 16 2HG2 VAL 16 -0.097 -2.626 5.681
103 3HG2 VAL 16 3HG2 VAL 16 -1.030 -1.143 5.875
104 H ALA 17 H ALA 17 3.962 -1.672 5.017
105 HA ALA 17 HA ALA 17 5.050 0.723 4.097
106 1HB ALA 17 1HB ALA 17 6.832 -1.647 4.205
107 2HB ALA 17 2HB ALA 17 5.982 -1.204 5.684
108 3HB ALA 17 3HB ALA 17 7.043 -0.037 4.894
109 H ALA 18 H ALA 18 4.903 -2.461 2.556
110 HA ALA 18 HA ALA 18 6.411 -1.778 0.261
111 1HB ALA 18 1HB ALA 18 6.024 -4.096 0.822
112 2HB ALA 18 2HB ALA 18 5.331 -3.763 -0.766
113 3HB ALA 18 3HB ALA 18 4.282 -3.884 0.648
114 H HIS 19 H HIS 19 3.129 -1.269 1.228
115 HA HIS 19 HA HIS 19 2.128 -0.581 -1.367
116 1HB HIS 19 2HB HIS 19 0.380 -1.287 -0.077
117 2HB HIS 19 1HB HIS 19 1.096 -0.693 1.411
118 HD2 HIS 19 2HD HIS 19 0.198 1.693 2.286
119 HE1 HIS 19 1HE HIS 19 -2.329 2.513 -0.989
120 HE2 HIS 19 2HE HIS 19 -1.541 3.315 1.278
121 H MET 20 H MET 20 2.709 1.328 1.608
122 HA MET 20 HA MET 20 2.277 3.818 0.405
123 1HB MET 20 2HB MET 20 2.425 3.262 2.884
124 2HB MET 20 1HB MET 20 4.169 3.382 2.697
125 1HG MET 20 2HG MET 20 3.347 5.699 1.550
126 2HG MET 20 1HG MET 20 2.131 5.480 2.806
127 1HE MET 20 1HE MET 20 3.188 7.769 4.584
128 2HE MET 20 2HE MET 20 3.518 6.588 5.852
129 3HE MET 20 3HE MET 20 2.188 6.323 4.724
130 H THR 21 H THR 21 5.062 1.746 0.386
131 HA THR 21 HA THR 21 7.109 3.510 -0.189
132 HB THR 21 HB THR 21 7.061 0.894 -0.012
133 HG1 THR 21 1HG THR 21 9.056 1.528 -0.164
134 1HG2 THR 21 1HG2 THR 21 7.470 0.853 -2.920
135 2HG2 THR 21 2HG2 THR 21 5.797 0.945 -2.372
136 3HG2 THR 21 3HG2 THR 21 6.828 -0.383 -1.840
137 H HIS 22 H HIS 22 4.375 2.580 -2.069
138 HA HIS 22 HA HIS 22 5.233 4.397 -4.209
139 1HB HIS 22 2HB HIS 22 4.115 2.843 -5.838
140 2HB HIS 22 1HB HIS 22 5.576 2.194 -5.095
141 HD1 HIS 22 1HD HIS 22 5.269 -0.198 -4.554
142 HD2 HIS 22 2HD HIS 22 1.776 1.973 -4.013
143 HE1 HIS 22 1HE HIS 22 3.579 -1.846 -3.684
144 HE2 HIS 22 2HE HIS 22 1.527 -0.474 -3.224
145 H CYS 23 H CYS 23 2.899 3.664 -1.897
146 HA CYS 23 HA CYS 23 0.813 5.041 -3.451
147 1HB CYS 23 2HB CYS 23 0.690 2.890 -1.372
148 2HB CYS 23 1HB CYS 23 -0.614 4.065 -1.441
149 H ALA 24 H ALA 24 2.843 6.540 -2.303
150 HA ALA 24 HA ALA 24 1.729 7.639 0.169
151 1HB ALA 24 1HB ALA 24 4.234 7.087 -0.239
152 2HB ALA 24 2HB ALA 24 3.798 8.572 0.606
153 3HB ALA 24 3HB ALA 24 4.250 8.627 -1.098
154 H LYS 25 H LYS 25 0.236 8.058 -2.188
155 HA LYS 25 HA LYS 25 -0.003 10.911 -2.108
156 1HB LYS 25 2HB LYS 25 0.341 11.315 -4.500
157 2HB LYS 25 1HB LYS 25 1.809 10.720 -3.739
158 1HG LYS 25 2HG LYS 25 1.043 8.405 -4.561
159 2HG LYS 25 1HG LYS 25 -0.037 9.311 -5.624
160 1HD LYS 25 2HD LYS 25 2.169 10.635 -6.185
161 2HD LYS 25 1HD LYS 25 2.939 9.151 -5.621
162 1HE LYS 25 2HE LYS 25 0.698 8.873 -7.540
163 2HE LYS 25 1HE LYS 25 2.214 9.527 -8.161
164 1HZ LYS 25 1HZ LYS 25 2.685 7.357 -8.420
165 2HZ LYS 25 2HZ LYS 25 1.594 6.845 -7.232
166 3HZ LYS 25 3HZ LYS 25 3.113 7.442 -6.786
Start of MODEL 7
1 1H ALA 1 1HT ALA 1 -2.382 4.427 2.633
2 2H ALA 1 2HT ALA 1 -0.734 4.014 2.877
3 3H ALA 1 3HT ALA 1 -1.567 4.954 4.046
4 HA ALA 1 HA ALA 1 -1.179 2.469 4.421
5 1HB ALA 1 1HB ALA 1 -2.915 2.493 5.944
6 2HB ALA 1 2HB ALA 1 -3.992 3.380 4.864
7 3HB ALA 1 3HB ALA 1 -2.658 4.216 5.661
8 H VAL 2 H VAL 2 -1.576 0.525 3.725
9 HA VAL 2 HA VAL 2 -2.703 0.002 1.234
10 HB VAL 2 HB VAL 2 -1.061 -1.391 2.595
11 1HG1 VAL 2 1HG1 VAL 2 -3.474 -2.831 3.627
12 2HG1 VAL 2 2HG1 VAL 2 -2.748 -1.512 4.546
13 3HG1 VAL 2 3HG1 VAL 2 -1.795 -2.944 4.155
14 1HG2 VAL 2 1HG2 VAL 2 -3.317 -2.508 0.974
15 2HG2 VAL 2 2HG2 VAL 2 -2.080 -3.576 1.638
16 3HG2 VAL 2 3HG2 VAL 2 -1.626 -2.282 0.529
17 H SER 3 H SER 3 -4.183 0.252 4.356
18 HA SER 3 HA SER 3 -6.547 -1.224 3.755
19 1HB SER 3 2HB SER 3 -5.679 0.624 5.936
20 2HB SER 3 1HB SER 3 -7.401 0.296 5.756
21 HG SER 3 HG SER 3 -5.463 -1.762 5.885
22 H ALA 4 H ALA 4 -5.527 2.094 3.352
23 HA ALA 4 HA ALA 4 -8.179 2.775 2.272
24 1HB ALA 4 1HB ALA 4 -6.185 4.905 2.785
25 2HB ALA 4 2HB ALA 4 -6.896 4.106 4.188
26 3HB ALA 4 3HB ALA 4 -7.935 4.909 3.009
27 H CYS 5 H CYS 5 -5.678 1.432 1.015
28 HA CYS 5 HA CYS 5 -4.559 3.135 -0.892
29 1HB CYS 5 2HB CYS 5 -3.638 0.928 -0.438
30 2HB CYS 5 1HB CYS 5 -5.094 0.165 -1.061
31 H ALA 6 H ALA 6 -5.079 3.668 -2.984
32 HA ALA 6 HA ALA 6 -7.905 3.371 -3.674
33 1HB ALA 6 1HB ALA 6 -7.069 5.068 -5.529
34 2HB ALA 6 2HB ALA 6 -5.777 5.327 -4.356
35 3HB ALA 6 3HB ALA 6 -7.457 5.596 -3.891
36 H LEU 7 H LEU 7 -4.705 2.500 -4.775
37 HA LEU 7 HA LEU 7 -5.830 1.308 -7.202
38 1HB LEU 7 2HB LEU 7 -3.573 1.198 -8.022
39 2HB LEU 7 1HB LEU 7 -3.914 2.822 -7.471
40 HG LEU 7 HG LEU 7 -2.785 1.562 -5.256
41 1HD1 LEU 7 1HD1 LEU 7 -1.188 0.892 -7.721
42 2HD1 LEU 7 2HD1 LEU 7 -2.080 -0.275 -6.746
43 3HD1 LEU 7 3HD1 LEU 7 -0.720 0.601 -6.046
44 1HD2 LEU 7 1HD2 LEU 7 -2.204 3.757 -5.534
45 2HD2 LEU 7 2HD2 LEU 7 -1.927 3.579 -7.267
46 3HD2 LEU 7 3HD2 LEU 7 -0.735 2.974 -6.116
47 H SER 8 H SER 8 -6.595 -0.672 -6.735
48 HA SER 8 HA SER 8 -5.895 -2.398 -4.745
49 1HB SER 8 2HB SER 8 -7.666 -2.516 -6.769
50 2HB SER 8 1HB SER 8 -6.476 -3.677 -7.357
51 HG SER 8 HG SER 8 -8.310 -3.972 -5.416
52 H LYS 9 H LYS 9 -4.798 -4.561 -4.956
53 HA LYS 9 HA LYS 9 -2.913 -5.800 -5.237
54 1HB LYS 9 2HB LYS 9 -2.633 -4.239 -7.811
55 2HB LYS 9 1HB LYS 9 -1.767 -5.713 -7.405
56 1HG LYS 9 2HG LYS 9 -4.761 -5.524 -7.631
57 2HG LYS 9 1HG LYS 9 -3.693 -6.044 -8.935
58 1HD LYS 9 2HD LYS 9 -4.234 -8.080 -8.050
59 2HD LYS 9 1HD LYS 9 -2.814 -7.703 -7.072
60 1HE LYS 9 2HE LYS 9 -4.187 -8.178 -5.352
61 2HE LYS 9 1HE LYS 9 -4.747 -6.525 -5.602
62 1HZ LYS 9 1HZ LYS 9 -5.989 -8.885 -6.900
63 2HZ LYS 9 2HZ LYS 9 -6.585 -7.303 -6.858
64 3HZ LYS 9 3HZ LYS 9 -6.539 -8.225 -5.441
65 H CYS 10 H CYS 10 -1.583 -5.188 -3.625
66 HA CYS 10 HA CYS 10 0.637 -3.474 -4.285
67 1HB CYS 10 2HB CYS 10 -1.469 -2.631 -2.326
68 2HB CYS 10 1HB CYS 10 0.208 -2.172 -2.051
69 H ALA 11 H ALA 11 -1.032 -4.885 -1.467
70 HA ALA 11 HA ALA 11 1.512 -6.181 -0.735
71 1HB ALA 11 1HB ALA 11 1.409 -5.397 1.352
72 2HB ALA 11 2HB ALA 11 -0.314 -5.751 1.493
73 3HB ALA 11 3HB ALA 11 0.219 -4.250 0.737
74 H ALA 12 H ALA 12 1.423 -8.321 -0.773
75 HA ALA 12 HA ALA 12 -1.192 -9.637 -0.767
76 1HB ALA 12 1HB ALA 12 0.870 -9.986 -2.447
77 2HB ALA 12 2HB ALA 12 -0.307 -11.249 -2.082
78 3HB ALA 12 3HB ALA 12 1.249 -11.226 -1.250
79 H ALA 13 H ALA 13 0.096 -8.604 1.680
80 HA ALA 13 HA ALA 13 -0.484 -10.737 3.410
81 1HB ALA 13 1HB ALA 13 2.414 -10.222 3.670
82 2HB ALA 13 2HB ALA 13 1.908 -11.224 2.310
83 3HB ALA 13 3HB ALA 13 1.492 -11.697 3.956
84 H ALA 14 H ALA 14 -1.080 -7.967 3.155
85 HA ALA 14 HA ALA 14 -1.411 -6.148 4.478
86 1HB ALA 14 1HB ALA 14 -1.668 -6.525 6.687
87 2HB ALA 14 2HB ALA 14 -0.074 -7.260 6.856
88 3HB ALA 14 3HB ALA 14 -1.417 -8.207 6.218
89 H ASN 15 H ASN 15 1.060 -6.514 2.964
90 HA ASN 15 HA ASN 15 3.149 -5.301 4.555
91 1HB ASN 15 2HB ASN 15 3.266 -6.959 2.446
92 2HB ASN 15 1HB ASN 15 3.388 -5.421 1.596
93 1HD2 ASN 15 1HD2 ASN 15 5.510 -6.369 1.049
94 2HD2 ASN 15 2HD2 ASN 15 6.827 -6.083 2.130
95 H VAL 16 H VAL 16 1.751 -3.438 5.095
96 HA VAL 16 HA VAL 16 0.846 -1.568 3.234
97 HB VAL 16 HB VAL 16 1.842 -0.974 6.021
98 1HG1 VAL 16 1HG1 VAL 16 -0.247 0.686 5.604
99 2HG1 VAL 16 2HG1 VAL 16 0.409 0.578 3.970
100 3HG1 VAL 16 3HG1 VAL 16 1.435 1.123 5.296
101 1HG2 VAL 16 1HG2 VAL 16 -0.011 -1.873 6.912
102 2HG2 VAL 16 2HG2 VAL 16 -0.100 -2.781 5.403
103 3HG2 VAL 16 3HG2 VAL 16 -1.039 -1.301 5.597
104 H ALA 17 H ALA 17 3.975 -1.791 4.899
105 HA ALA 17 HA ALA 17 5.094 0.596 4.041
106 1HB ALA 17 1HB ALA 17 6.849 -1.801 4.113
107 2HB ALA 17 2HB ALA 17 5.998 -1.358 5.592
108 3HB ALA 17 3HB ALA 17 7.086 -0.203 4.821
109 H ALA 18 H ALA 18 5.002 -2.545 2.402
110 HA ALA 18 HA ALA 18 6.540 -1.789 0.156
111 1HB ALA 18 1HB ALA 18 5.498 -3.737 -0.953
112 2HB ALA 18 2HB ALA 18 4.387 -3.891 0.408
113 3HB ALA 18 3HB ALA 18 6.118 -4.124 0.653
114 H HIS 19 H HIS 19 3.256 -1.273 1.085
115 HA HIS 19 HA HIS 19 2.324 -0.478 -1.516
116 1HB HIS 19 2HB HIS 19 0.538 -1.275 -0.335
117 2HB HIS 19 1HB HIS 19 1.192 -0.763 1.210
118 HD2 HIS 19 2HD HIS 19 0.275 1.594 2.169
119 HE1 HIS 19 1HE HIS 19 -2.201 2.526 -1.114
120 HE2 HIS 19 2HE HIS 19 -1.461 3.241 1.197
121 H MET 20 H MET 20 2.748 1.269 1.585
122 HA MET 20 HA MET 20 2.335 3.818 0.520
123 1HB MET 20 2HB MET 20 2.395 3.142 2.956
124 2HB MET 20 1HB MET 20 4.146 3.232 2.845
125 1HG MET 20 2HG MET 20 4.163 5.497 2.725
126 2HG MET 20 1HG MET 20 2.597 5.577 1.921
127 1HE MET 20 1HE MET 20 2.111 7.787 3.698
128 2HE MET 20 2HE MET 20 0.744 7.197 4.641
129 3HE MET 20 3HE MET 20 0.888 6.772 2.935
130 H THR 21 H THR 21 5.177 1.801 0.529
131 HA THR 21 HA THR 21 7.172 3.658 0.079
132 HB THR 21 HB THR 21 6.798 0.894 -1.010
133 HG1 THR 21 1HG THR 21 7.203 1.312 1.286
134 1HG2 THR 21 1HG2 THR 21 9.147 0.835 -1.594
135 2HG2 THR 21 2HG2 THR 21 9.306 2.539 -1.170
136 3HG2 THR 21 3HG2 THR 21 8.300 2.060 -2.537
137 H HIS 22 H HIS 22 4.525 2.744 -1.911
138 HA HIS 22 HA HIS 22 5.460 4.586 -3.988
139 1HB HIS 22 2HB HIS 22 4.527 3.053 -5.716
140 2HB HIS 22 1HB HIS 22 5.906 2.374 -4.856
141 HD1 HIS 22 1HD HIS 22 5.499 -0.051 -4.569
142 HD2 HIS 22 2HD HIS 22 2.052 2.184 -3.981
143 HE1 HIS 22 1HE HIS 22 3.734 -1.703 -3.871
144 HE2 HIS 22 2HE HIS 22 1.708 -0.301 -3.373
145 H CYS 23 H CYS 23 3.056 3.818 -1.783
146 HA CYS 23 HA CYS 23 1.008 5.140 -3.437
147 1HB CYS 23 2HB CYS 23 0.837 2.935 -1.431
148 2HB CYS 23 1HB CYS 23 -0.478 4.096 -1.484
149 H ALA 24 H ALA 24 0.720 7.194 -2.914
150 HA ALA 24 HA ALA 24 0.163 8.031 -0.261
151 1HB ALA 24 1HB ALA 24 2.808 7.795 -0.564
152 2HB ALA 24 2HB ALA 24 2.066 9.036 0.447
153 3HB ALA 24 3HB ALA 24 2.597 9.431 -1.188
154 H LYS 25 H LYS 25 -1.065 8.218 -2.818
155 HA LYS 25 HA LYS 25 -1.498 11.085 -2.898
156 1HB LYS 25 2HB LYS 25 -1.181 11.270 -5.310
157 2HB LYS 25 1HB LYS 25 0.308 10.758 -4.528
158 1HG LYS 25 2HG LYS 25 -1.509 8.661 -5.587
159 2HG LYS 25 1HG LYS 25 -0.567 9.616 -6.733
160 1HD LYS 25 2HD LYS 25 0.934 8.605 -4.413
161 2HD LYS 25 1HD LYS 25 0.328 7.365 -5.513
162 1HE LYS 25 2HE LYS 25 1.317 9.050 -7.320
163 2HE LYS 25 1HE LYS 25 2.352 9.488 -5.961
164 1HZ LYS 25 1HZ LYS 25 2.908 7.507 -7.629
165 2HZ LYS 25 2HZ LYS 25 2.032 6.642 -6.469
166 3HZ LYS 25 3HZ LYS 25 3.409 7.513 -6.013
Start of MODEL 8
1 1H ALA 1 1HT ALA 1 -1.301 4.693 4.211
2 2H ALA 1 2HT ALA 1 -2.307 4.362 2.861
3 3H ALA 1 3HT ALA 1 -0.697 3.769 2.901
4 HA ALA 1 HA ALA 1 -1.154 2.230 4.508
5 1HB ALA 1 1HB ALA 1 -2.690 4.083 5.663
6 2HB ALA 1 2HB ALA 1 -2.785 2.371 6.077
7 3HB ALA 1 3HB ALA 1 -3.955 3.075 4.961
8 H VAL 2 H VAL 2 -1.590 0.335 3.725
9 HA VAL 2 HA VAL 2 -2.660 -0.097 1.212
10 HB VAL 2 HB VAL 2 -1.165 -1.600 2.597
11 1HG1 VAL 2 1HG1 VAL 2 -2.962 -1.619 4.484
12 2HG1 VAL 2 2HG1 VAL 2 -2.006 -3.067 4.164
13 3HG1 VAL 2 3HG1 VAL 2 -3.655 -2.945 3.550
14 1HG2 VAL 2 1HG2 VAL 2 -2.147 -3.698 1.565
15 2HG2 VAL 2 2HG2 VAL 2 -1.834 -2.357 0.460
16 3HG2 VAL 2 3HG2 VAL 2 -3.479 -2.684 1.008
17 H SER 3 H SER 3 -4.286 0.273 4.235
18 HA SER 3 HA SER 3 -6.688 -1.096 3.565
19 1HB SER 3 2HB SER 3 -5.880 0.865 5.683
20 2HB SER 3 1HB SER 3 -7.592 0.522 5.435
21 HG SER 3 HG SER 3 -7.265 -1.211 6.557
22 H ALA 4 H ALA 4 -5.533 2.201 3.191
23 HA ALA 4 HA ALA 4 -8.044 2.922 1.841
24 1HB ALA 4 1HB ALA 4 -6.059 5.030 2.389
25 2HB ALA 4 2HB ALA 4 -6.792 4.274 3.804
26 3HB ALA 4 3HB ALA 4 -7.811 5.039 2.586
27 H CYS 5 H CYS 5 -5.618 1.390 0.798
28 HA CYS 5 HA CYS 5 -4.096 2.834 -0.984
29 1HB CYS 5 2HB CYS 5 -3.696 0.482 -0.574
30 2HB CYS 5 1HB CYS 5 -5.244 0.055 -1.294
31 H ALA 6 H ALA 6 -4.339 3.682 -2.982
32 HA ALA 6 HA ALA 6 -7.050 4.127 -3.891
33 1HB ALA 6 1HB ALA 6 -4.498 5.137 -5.131
34 2HB ALA 6 2HB ALA 6 -5.325 5.933 -3.794
35 3HB ALA 6 3HB ALA 6 -6.129 5.770 -5.355
36 H LEU 7 H LEU 7 -4.239 2.282 -4.885
37 HA LEU 7 HA LEU 7 -5.614 1.508 -7.355
38 1HB LEU 7 2HB LEU 7 -3.359 0.344 -7.795
39 2HB LEU 7 1HB LEU 7 -3.459 2.085 -7.943
40 HG LEU 7 HG LEU 7 -2.676 1.247 -5.266
41 1HD1 LEU 7 1HD1 LEU 7 -1.634 -0.614 -6.353
42 2HD1 LEU 7 2HD1 LEU 7 -0.387 0.561 -5.935
43 3HD1 LEU 7 3HD1 LEU 7 -0.959 0.434 -7.600
44 1HD2 LEU 7 1HD2 LEU 7 -2.231 3.446 -5.619
45 2HD2 LEU 7 2HD2 LEU 7 -1.892 3.216 -7.334
46 3HD2 LEU 7 3HD2 LEU 7 -0.681 2.775 -6.130
47 H SER 8 H SER 8 -4.874 -0.923 -7.937
48 HA SER 8 HA SER 8 -6.485 -2.633 -6.568
49 1HB SER 8 2HB SER 8 -4.033 -3.095 -8.229
50 2HB SER 8 1HB SER 8 -4.824 -4.459 -7.439
51 HG SER 8 HG SER 8 -5.689 -2.873 -9.547
52 H LYS 9 H LYS 9 -5.815 -4.641 -5.330
53 HA LYS 9 HA LYS 9 -4.794 -3.928 -2.838
54 1HB LYS 9 2HB LYS 9 -5.435 -6.498 -4.195
55 2HB LYS 9 1HB LYS 9 -4.457 -6.574 -2.736
56 1HG LYS 9 2HG LYS 9 -6.161 -5.883 -1.388
57 2HG LYS 9 1HG LYS 9 -6.945 -4.955 -2.667
58 1HD LYS 9 2HD LYS 9 -7.607 -7.084 -3.746
59 2HD LYS 9 1HD LYS 9 -6.907 -7.959 -2.383
60 1HE LYS 9 2HE LYS 9 -8.507 -6.259 -1.057
61 2HE LYS 9 1HE LYS 9 -9.413 -6.402 -2.563
62 1HZ LYS 9 1HZ LYS 9 -8.465 -8.892 -1.401
63 2HZ LYS 9 2HZ LYS 9 -9.941 -8.538 -2.147
64 3HZ LYS 9 3HZ LYS 9 -9.679 -8.091 -0.537
65 H CYS 10 H CYS 10 -2.793 -3.228 -2.480
66 HA CYS 10 HA CYS 10 -0.554 -4.087 -4.057
67 1HB CYS 10 2HB CYS 10 -0.876 -2.256 -1.693
68 2HB CYS 10 1HB CYS 10 0.719 -2.696 -2.294
69 H ALA 11 H ALA 11 1.163 -5.368 -3.447
70 HA ALA 11 HA ALA 11 2.231 -7.094 -2.417
71 1HB ALA 11 1HB ALA 11 2.423 -5.345 -0.632
72 2HB ALA 11 2HB ALA 11 2.489 -7.009 -0.050
73 3HB ALA 11 3HB ALA 11 1.009 -6.067 0.137
74 H ALA 12 H ALA 12 1.629 -8.787 -0.374
75 HA ALA 12 HA ALA 12 -1.103 -9.716 -0.664
76 1HB ALA 12 1HB ALA 12 -0.163 -10.756 -2.592
77 2HB ALA 12 2HB ALA 12 -0.350 -12.002 -1.358
78 3HB ALA 12 3HB ALA 12 1.240 -11.312 -1.679
79 H ALA 13 H ALA 13 0.464 -8.737 1.530
80 HA ALA 13 HA ALA 13 -0.044 -10.845 3.406
81 1HB ALA 13 1HB ALA 13 2.138 -11.573 2.636
82 2HB ALA 13 2HB ALA 13 2.240 -10.991 4.298
83 3HB ALA 13 3HB ALA 13 2.811 -9.978 2.973
84 H ALA 14 H ALA 14 -0.829 -8.067 2.898
85 HA ALA 14 HA ALA 14 -1.348 -6.206 4.096
86 1HB ALA 14 1HB ALA 14 -0.679 -6.496 6.680
87 2HB ALA 14 2HB ALA 14 -0.682 -8.187 6.179
88 3HB ALA 14 3HB ALA 14 -2.129 -7.203 5.968
89 H ASN 15 H ASN 15 1.260 -6.494 2.837
90 HA ASN 15 HA ASN 15 3.175 -5.216 4.571
91 1HB ASN 15 2HB ASN 15 3.438 -6.780 2.370
92 2HB ASN 15 1HB ASN 15 3.645 -5.187 1.650
93 1HD2 ASN 15 1HD2 ASN 15 4.867 -3.909 3.826
94 2HD2 ASN 15 2HD2 ASN 15 6.447 -4.579 4.029
95 H VAL 16 H VAL 16 1.733 -3.413 5.102
96 HA VAL 16 HA VAL 16 0.825 -1.524 3.265
97 HB VAL 16 HB VAL 16 1.708 -0.978 6.100
98 1HG1 VAL 16 1HG1 VAL 16 -0.440 0.620 5.608
99 2HG1 VAL 16 2HG1 VAL 16 0.362 0.611 4.036
100 3HG1 VAL 16 3HG1 VAL 16 1.244 1.128 5.474
101 1HG2 VAL 16 1HG2 VAL 16 -0.158 -1.941 6.897
102 2HG2 VAL 16 2HG2 VAL 16 -0.150 -2.824 5.370
103 3HG2 VAL 16 3HG2 VAL 16 -1.145 -1.379 5.549
104 H ALA 17 H ALA 17 3.903 -1.674 5.030
105 HA ALA 17 HA ALA 17 4.950 0.772 4.236
106 1HB ALA 17 1HB ALA 17 7.209 -0.470 4.461
107 2HB ALA 17 2HB ALA 17 6.222 -1.834 4.985
108 3HB ALA 17 3HB ALA 17 6.175 -0.317 5.883
109 H ALA 18 H ALA 18 5.053 -2.360 2.586
110 HA ALA 18 HA ALA 18 6.660 -1.510 0.413
111 1HB ALA 18 1HB ALA 18 4.642 -3.615 -0.081
112 2HB ALA 18 2HB ALA 18 5.788 -3.915 1.225
113 3HB ALA 18 3HB ALA 18 6.375 -3.604 -0.409
114 H HIS 19 H HIS 19 3.320 -1.194 1.208
115 HA HIS 19 HA HIS 19 2.429 -0.481 -1.427
116 1HB HIS 19 2HB HIS 19 0.657 -1.360 -0.291
117 2HB HIS 19 1HB HIS 19 1.240 -0.800 1.268
118 HD2 HIS 19 2HD HIS 19 0.152 1.497 2.188
119 HE1 HIS 19 1HE HIS 19 -2.259 2.280 -1.181
120 HE2 HIS 19 2HE HIS 19 -1.641 3.040 1.151
121 H MET 20 H MET 20 2.687 1.330 1.654
122 HA MET 20 HA MET 20 2.148 3.835 0.529
123 1HB MET 20 2HB MET 20 2.183 3.185 2.984
124 2HB MET 20 1HB MET 20 3.923 3.421 2.918
125 1HG MET 20 2HG MET 20 3.756 5.677 2.760
126 2HG MET 20 1HG MET 20 2.214 5.613 1.907
127 1HE MET 20 1HE MET 20 1.394 7.461 2.948
128 2HE MET 20 2HE MET 20 0.861 7.655 4.618
129 3HE MET 20 3HE MET 20 -0.058 6.635 3.511
130 H THR 21 H THR 21 5.085 1.979 0.614
131 HA THR 21 HA THR 21 7.020 3.912 0.241
132 HB THR 21 HB THR 21 7.168 1.300 0.311
133 HG1 THR 21 1HG THR 21 9.247 1.454 -0.543
134 1HG2 THR 21 1HG2 THR 21 7.307 0.104 -1.628
135 2HG2 THR 21 2HG2 THR 21 7.611 1.532 -2.617
136 3HG2 THR 21 3HG2 THR 21 5.987 1.210 -2.010
137 H HIS 22 H HIS 22 4.489 2.878 -1.849
138 HA HIS 22 HA HIS 22 5.335 4.848 -3.854
139 1HB HIS 22 2HB HIS 22 4.473 3.291 -5.619
140 2HB HIS 22 1HB HIS 22 5.912 2.706 -4.787
141 HD1 HIS 22 1HD HIS 22 5.723 0.272 -4.396
142 HD2 HIS 22 2HD HIS 22 2.069 2.195 -3.997
143 HE1 HIS 22 1HE HIS 22 4.088 -1.517 -3.719
144 HE2 HIS 22 2HE HIS 22 1.930 -0.294 -3.327
145 H CYS 23 H CYS 23 2.917 3.825 -1.741
146 HA CYS 23 HA CYS 23 0.833 5.092 -3.388
147 1HB CYS 23 2HB CYS 23 0.751 2.864 -1.393
148 2HB CYS 23 1HB CYS 23 -0.634 3.938 -1.499
149 H ALA 24 H ALA 24 2.654 6.708 -2.062
150 HA ALA 24 HA ALA 24 1.288 7.633 0.356
151 1HB ALA 24 1HB ALA 24 3.913 7.326 -0.081
152 2HB ALA 24 2HB ALA 24 3.256 8.515 1.044
153 3HB ALA 24 3HB ALA 24 3.730 9.008 -0.582
154 H LYS 25 H LYS 25 -0.050 8.011 -2.110
155 HA LYS 25 HA LYS 25 -0.357 10.894 -2.028
156 1HB LYS 25 2HB LYS 25 -0.164 11.182 -4.446
157 2HB LYS 25 1HB LYS 25 1.342 10.577 -3.770
158 1HG LYS 25 2HG LYS 25 0.199 8.250 -4.424
159 2HG LYS 25 1HG LYS 25 -0.558 9.294 -5.628
160 1HD LYS 25 2HD LYS 25 2.341 9.666 -5.281
161 2HD LYS 25 1HD LYS 25 1.855 8.102 -5.940
162 1HE LYS 25 2HE LYS 25 0.306 9.724 -7.418
163 2HE LYS 25 1HE LYS 25 1.664 10.807 -7.114
164 1HZ LYS 25 1HZ LYS 25 3.158 9.239 -8.076
165 2HZ LYS 25 2HZ LYS 25 1.881 9.460 -9.162
166 3HZ LYS 25 3HZ LYS 25 1.948 8.064 -8.210
Start of MODEL 9
1 1H ALA 1 1HT ALA 1 -0.731 3.755 2.824
2 2H ALA 1 2HT ALA 1 -1.200 4.674 4.196
3 3H ALA 1 3HT ALA 1 -2.308 4.423 2.909
4 HA ALA 1 HA ALA 1 -1.151 2.240 4.497
5 1HB ALA 1 1HB ALA 1 -2.312 3.263 6.177
6 2HB ALA 1 2HB ALA 1 -3.618 2.332 5.444
7 3HB ALA 1 3HB ALA 1 -3.442 4.046 5.072
8 H VAL 2 H VAL 2 -1.612 0.349 3.716
9 HA VAL 2 HA VAL 2 -2.703 -0.075 1.211
10 HB VAL 2 HB VAL 2 -1.220 -1.593 2.598
11 1HG1 VAL 2 1HG1 VAL 2 -3.856 -2.627 3.635
12 2HG1 VAL 2 2HG1 VAL 2 -2.715 -1.663 4.574
13 3HG1 VAL 2 3HG1 VAL 2 -2.249 -3.260 3.990
14 1HG2 VAL 2 1HG2 VAL 2 -2.213 -3.677 1.561
15 2HG2 VAL 2 2HG2 VAL 2 -1.911 -2.335 0.457
16 3HG2 VAL 2 3HG2 VAL 2 -3.550 -2.662 1.018
17 H SER 3 H SER 3 -4.307 0.316 4.244
18 HA SER 3 HA SER 3 -6.730 -1.021 3.587
19 1HB SER 3 2HB SER 3 -5.797 0.803 5.737
20 2HB SER 3 1HB SER 3 -7.537 0.747 5.452
21 HG SER 3 HG SER 3 -7.593 -1.314 6.065
22 H ALA 4 H ALA 4 -5.533 2.260 3.207
23 HA ALA 4 HA ALA 4 -8.042 3.018 1.876
24 1HB ALA 4 1HB ALA 4 -6.020 5.096 2.408
25 2HB ALA 4 2HB ALA 4 -6.754 4.352 3.829
26 3HB ALA 4 3HB ALA 4 -7.771 5.131 2.618
27 H CYS 5 H CYS 5 -5.643 1.452 0.816
28 HA CYS 5 HA CYS 5 -4.119 2.878 -0.980
29 1HB CYS 5 2HB CYS 5 -3.737 0.523 -0.566
30 2HB CYS 5 1HB CYS 5 -5.294 0.109 -1.274
31 H ALA 6 H ALA 6 -4.366 3.706 -2.991
32 HA ALA 6 HA ALA 6 -7.084 4.168 -3.879
33 1HB ALA 6 1HB ALA 6 -5.636 5.458 -5.713
34 2HB ALA 6 2HB ALA 6 -4.435 5.362 -4.425
35 3HB ALA 6 3HB ALA 6 -5.992 6.136 -4.124
36 H LEU 7 H LEU 7 -4.286 2.311 -4.878
37 HA LEU 7 HA LEU 7 -5.670 1.544 -7.348
38 1HB LEU 7 2HB LEU 7 -3.420 0.375 -7.797
39 2HB LEU 7 1HB LEU 7 -3.512 2.117 -7.937
40 HG LEU 7 HG LEU 7 -2.729 1.273 -5.265
41 1HD1 LEU 7 1HD1 LEU 7 -1.746 -0.606 -6.471
42 2HD1 LEU 7 2HD1 LEU 7 -0.503 0.481 -5.850
43 3HD1 LEU 7 3HD1 LEU 7 -0.932 0.517 -7.561
44 1HD2 LEU 7 1HD2 LEU 7 -1.930 3.229 -7.339
45 2HD2 LEU 7 2HD2 LEU 7 -0.717 2.775 -6.141
46 3HD2 LEU 7 3HD2 LEU 7 -2.255 3.464 -5.621
47 H SER 8 H SER 8 -4.937 -0.889 -7.932
48 HA SER 8 HA SER 8 -6.547 -2.591 -6.548
49 1HB SER 8 2HB SER 8 -5.621 -3.188 -8.709
50 2HB SER 8 1HB SER 8 -3.999 -3.274 -8.025
51 HG SER 8 HG SER 8 -5.503 -5.272 -8.284
52 H LYS 9 H LYS 9 -5.835 -4.629 -5.349
53 HA LYS 9 HA LYS 9 -4.823 -3.941 -2.852
54 1HB LYS 9 2HB LYS 9 -6.119 -6.089 -3.805
55 2HB LYS 9 1HB LYS 9 -4.494 -6.757 -3.729
56 1HG LYS 9 2HG LYS 9 -4.355 -6.390 -1.394
57 2HG LYS 9 1HG LYS 9 -5.817 -5.403 -1.395
58 1HD LYS 9 2HD LYS 9 -5.859 -8.275 -2.269
59 2HD LYS 9 1HD LYS 9 -6.004 -7.825 -0.569
60 1HE LYS 9 2HE LYS 9 -7.980 -6.542 -1.015
61 2HE LYS 9 1HE LYS 9 -7.787 -6.764 -2.754
62 1HZ LYS 9 1HZ LYS 9 -8.031 -9.206 -2.311
63 2HZ LYS 9 2HZ LYS 9 -9.425 -8.284 -2.051
64 3HZ LYS 9 3HZ LYS 9 -8.504 -8.810 -0.735
65 H CYS 10 H CYS 10 -2.840 -3.362 -2.302
66 HA CYS 10 HA CYS 10 -0.571 -4.129 -3.943
67 1HB CYS 10 2HB CYS 10 -0.942 -2.222 -1.645
68 2HB CYS 10 1HB CYS 10 0.661 -2.645 -2.235
69 H ALA 11 H ALA 11 1.415 -4.954 -2.955
70 HA ALA 11 HA ALA 11 2.556 -6.550 -1.804
71 1HB ALA 11 1HB ALA 11 1.582 -6.784 0.686
72 2HB ALA 11 2HB ALA 11 0.883 -5.229 0.238
73 3HB ALA 11 3HB ALA 11 2.630 -5.460 0.175
74 H ALA 12 H ALA 12 2.033 -8.541 -0.149
75 HA ALA 12 HA ALA 12 -0.405 -9.894 -1.033
76 1HB ALA 12 1HB ALA 12 2.383 -10.762 -1.638
77 2HB ALA 12 2HB ALA 12 0.943 -10.809 -2.655
78 3HB ALA 12 3HB ALA 12 1.141 -11.980 -1.352
79 H ALA 13 H ALA 13 0.511 -8.761 1.505
80 HA ALA 13 HA ALA 13 -0.305 -10.822 3.234
81 1HB ALA 13 1HB ALA 13 1.691 -11.943 3.158
82 2HB ALA 13 2HB ALA 13 2.000 -10.836 4.496
83 3HB ALA 13 3HB ALA 13 2.632 -10.476 2.890
84 H ALA 14 H ALA 14 -0.921 -8.092 2.772
85 HA ALA 14 HA ALA 14 -1.479 -6.228 3.949
86 1HB ALA 14 1HB ALA 14 -1.676 -6.343 6.302
87 2HB ALA 14 2HB ALA 14 -0.444 -7.598 6.419
88 3HB ALA 14 3HB ALA 14 -2.013 -7.967 5.703
89 H ASN 15 H ASN 15 1.157 -6.523 2.770
90 HA ASN 15 HA ASN 15 3.034 -5.271 4.563
91 1HB ASN 15 2HB ASN 15 3.133 -6.588 2.010
92 2HB ASN 15 1HB ASN 15 3.937 -5.027 1.889
93 1HD2 ASN 15 1HD2 ASN 15 5.239 -4.619 4.085
94 2HD2 ASN 15 2HD2 ASN 15 6.341 -5.895 4.461
95 H VAL 16 H VAL 16 1.672 -3.434 5.095
96 HA VAL 16 HA VAL 16 0.773 -1.536 3.259
97 HB VAL 16 HB VAL 16 1.690 -0.992 6.083
98 1HG1 VAL 16 1HG1 VAL 16 1.225 1.114 5.464
99 2HG1 VAL 16 2HG1 VAL 16 -0.461 0.614 5.597
100 3HG1 VAL 16 3HG1 VAL 16 0.343 0.599 4.027
101 1HG2 VAL 16 1HG2 VAL 16 -0.999 -1.207 6.250
102 2HG2 VAL 16 2HG2 VAL 16 0.120 -2.525 6.595
103 3HG2 VAL 16 3HG2 VAL 16 -0.653 -2.416 5.014
104 H ALA 17 H ALA 17 3.864 -1.744 4.993
105 HA ALA 17 HA ALA 17 4.943 0.687 4.190
106 1HB ALA 17 1HB ALA 17 6.103 -1.918 5.046
107 2HB ALA 17 2HB ALA 17 6.241 -0.322 5.786
108 3HB ALA 17 3HB ALA 17 7.179 -0.710 4.343
109 H ALA 18 H ALA 18 4.979 -2.451 2.549
110 HA ALA 18 HA ALA 18 6.587 -1.635 0.363
111 1HB ALA 18 1HB ALA 18 6.157 -3.702 -0.551
112 2HB ALA 18 2HB ALA 18 4.491 -3.732 0.028
113 3HB ALA 18 3HB ALA 18 5.821 -4.022 1.150
114 H HIS 19 H HIS 19 3.259 -1.255 1.182
115 HA HIS 19 HA HIS 19 2.364 -0.534 -1.451
116 1HB HIS 19 2HB HIS 19 0.585 -1.383 -0.304
117 2HB HIS 19 1HB HIS 19 1.185 -0.831 1.251
118 HD2 HIS 19 2HD HIS 19 0.141 1.485 2.173
119 HE1 HIS 19 1HE HIS 19 -2.283 2.298 -1.179
120 HE2 HIS 19 2HE HIS 19 -1.636 3.054 1.147
121 H MET 20 H MET 20 2.670 1.277 1.626
122 HA MET 20 HA MET 20 2.165 3.788 0.500
123 1HB MET 20 2HB MET 20 2.202 3.143 2.955
124 2HB MET 20 1HB MET 20 3.946 3.348 2.879
125 1HG MET 20 2HG MET 20 3.094 5.674 1.783
126 2HG MET 20 1HG MET 20 1.806 5.347 2.941
127 1HE MET 20 1HE MET 20 2.638 5.983 6.042
128 2HE MET 20 2HE MET 20 3.664 4.549 6.062
129 3HE MET 20 3HE MET 20 2.165 4.547 5.134
130 H THR 21 H THR 21 5.074 1.888 0.573
131 HA THR 21 HA THR 21 7.035 3.790 0.185
132 HB THR 21 HB THR 21 7.145 1.177 0.259
133 HG1 THR 21 1HG THR 21 8.906 2.643 -1.404
134 1HG2 THR 21 1HG2 THR 21 7.133 -0.041 -1.634
135 2HG2 THR 21 2HG2 THR 21 7.667 1.308 -2.639
136 3HG2 THR 21 3HG2 THR 21 5.981 1.200 -2.128
137 H HIS 22 H HIS 22 4.477 2.790 -1.890
138 HA HIS 22 HA HIS 22 5.341 4.741 -3.904
139 1HB HIS 22 2HB HIS 22 4.451 3.193 -5.661
140 2HB HIS 22 1HB HIS 22 5.882 2.586 -4.831
141 HD1 HIS 22 1HD HIS 22 5.650 0.154 -4.443
142 HD2 HIS 22 2HD HIS 22 2.034 2.146 -4.022
143 HE1 HIS 22 1HE HIS 22 3.986 -1.604 -3.754
144 HE2 HIS 22 2HE HIS 22 1.853 -0.340 -3.350
145 H CYS 23 H CYS 23 2.920 3.761 -1.775
146 HA CYS 23 HA CYS 23 0.846 5.053 -3.416
147 1HB CYS 23 2HB CYS 23 0.741 2.831 -1.414
148 2HB CYS 23 1HB CYS 23 -0.627 3.926 -1.515
149 H ALA 24 H ALA 24 2.297 6.931 -2.472
150 HA ALA 24 HA ALA 24 1.201 7.755 0.131
151 1HB ALA 24 1HB ALA 24 3.778 7.640 -0.504
152 2HB ALA 24 2HB ALA 24 3.132 8.869 0.582
153 3HB ALA 24 3HB ALA 24 3.435 9.260 -1.111
154 H LYS 25 H LYS 25 -0.381 7.940 -2.222
155 HA LYS 25 HA LYS 25 -0.939 10.787 -2.165
156 1HB LYS 25 2HB LYS 25 -0.974 11.037 -4.590
157 2HB LYS 25 1HB LYS 25 0.629 10.564 -4.045
158 1HG LYS 25 2HG LYS 25 -1.241 8.418 -4.881
159 2HG LYS 25 1HG LYS 25 -0.528 9.438 -6.132
160 1HD LYS 25 2HD LYS 25 1.352 8.446 -4.097
161 2HD LYS 25 1HD LYS 25 0.639 7.206 -5.132
162 1HE LYS 25 2HE LYS 25 1.621 9.644 -6.482
163 2HE LYS 25 1HE LYS 25 2.848 8.588 -5.781
164 1HZ LYS 25 1HZ LYS 25 1.853 8.255 -8.217
165 2HZ LYS 25 2HZ LYS 25 0.780 7.279 -7.347
166 3HZ LYS 25 3HZ LYS 25 2.442 6.975 -7.279
Start of MODEL 10
1 1H ALA 1 1HT ALA 1 -0.779 3.745 2.730
2 2H ALA 1 2HT ALA 1 -1.519 4.674 3.968
3 3H ALA 1 3HT ALA 1 -2.411 4.242 2.568
4 HA ALA 1 HA ALA 1 -1.243 2.203 4.306
5 1HB ALA 1 1HB ALA 1 -3.687 3.856 4.783
6 2HB ALA 1 2HB ALA 1 -2.467 3.297 5.928
7 3HB ALA 1 3HB ALA 1 -3.655 2.165 5.282
8 H VAL 2 H VAL 2 -1.603 0.289 3.531
9 HA VAL 2 HA VAL 2 -2.645 -0.206 1.018
10 HB VAL 2 HB VAL 2 -1.110 -1.642 2.436
11 1HG1 VAL 2 1HG1 VAL 2 -2.592 -1.780 4.403
12 2HG1 VAL 2 2HG1 VAL 2 -2.104 -3.367 3.809
13 3HG1 VAL 2 3HG1 VAL 2 -3.721 -2.755 3.461
14 1HG2 VAL 2 1HG2 VAL 2 -1.695 -2.462 0.313
15 2HG2 VAL 2 2HG2 VAL 2 -3.359 -2.784 0.800
16 3HG2 VAL 2 3HG2 VAL 2 -2.047 -3.789 1.420
17 H SER 3 H SER 3 -4.294 0.125 4.036
18 HA SER 3 HA SER 3 -6.653 -1.317 3.347
19 1HB SER 3 2HB SER 3 -5.706 -0.324 5.676
20 2HB SER 3 1HB SER 3 -6.871 0.934 5.265
21 HG SER 3 HG SER 3 -8.414 -0.816 4.994
22 H ALA 4 H ALA 4 -5.558 1.986 2.951
23 HA ALA 4 HA ALA 4 -8.078 2.638 1.574
24 1HB ALA 4 1HB ALA 4 -6.237 4.831 2.273
25 2HB ALA 4 2HB ALA 4 -6.990 3.994 3.630
26 3HB ALA 4 3HB ALA 4 -7.995 4.740 2.389
27 H CYS 5 H CYS 5 -5.563 1.255 0.578
28 HA CYS 5 HA CYS 5 -4.020 2.822 -1.075
29 1HB CYS 5 2HB CYS 5 -3.530 0.482 -0.765
30 2HB CYS 5 1HB CYS 5 -5.049 0.017 -1.520
31 H ALA 6 H ALA 6 -4.339 3.979 -2.855
32 HA ALA 6 HA ALA 6 -6.908 4.511 -3.848
33 1HB ALA 6 1HB ALA 6 -4.336 5.041 -5.317
34 2HB ALA 6 2HB ALA 6 -4.900 6.019 -3.962
35 3HB ALA 6 3HB ALA 6 -5.858 5.923 -5.439
36 H LEU 7 H LEU 7 -4.397 2.298 -4.946
37 HA LEU 7 HA LEU 7 -6.119 1.482 -7.172
38 1HB LEU 7 2HB LEU 7 -4.073 0.271 -7.967
39 2HB LEU 7 1HB LEU 7 -3.968 2.018 -7.969
40 HG LEU 7 HG LEU 7 -2.873 1.520 -5.566
41 1HD1 LEU 7 1HD1 LEU 7 -2.799 -1.012 -7.044
42 2HD1 LEU 7 2HD1 LEU 7 -2.629 -0.697 -5.318
43 3HD1 LEU 7 3HD1 LEU 7 -1.247 -0.485 -6.393
44 1HD2 LEU 7 1HD2 LEU 7 -1.691 2.874 -7.022
45 2HD2 LEU 7 2HD2 LEU 7 -1.685 1.664 -8.304
46 3HD2 LEU 7 3HD2 LEU 7 -0.648 1.458 -6.893
47 H SER 8 H SER 8 -5.629 -0.998 -7.696
48 HA SER 8 HA SER 8 -7.028 -2.505 -5.872
49 1HB SER 8 2HB SER 8 -6.137 -2.949 -8.377
50 2HB SER 8 1HB SER 8 -5.022 -3.978 -7.479
51 HG SER 8 HG SER 8 -6.615 -5.346 -7.496
52 H LYS 9 H LYS 9 -5.898 -4.774 -5.152
53 HA LYS 9 HA LYS 9 -4.509 -4.221 -2.818
54 1HB LYS 9 2HB LYS 9 -4.557 -6.775 -4.433
55 2HB LYS 9 1HB LYS 9 -3.958 -6.650 -2.784
56 1HG LYS 9 2HG LYS 9 -6.031 -6.534 -1.894
57 2HG LYS 9 1HG LYS 9 -6.693 -5.648 -3.268
58 1HD LYS 9 2HD LYS 9 -7.298 -7.531 -4.353
59 2HD LYS 9 1HD LYS 9 -5.856 -8.410 -3.841
60 1HE LYS 9 2HE LYS 9 -6.912 -8.521 -1.540
61 2HE LYS 9 1HE LYS 9 -8.397 -7.945 -2.298
62 1HZ LYS 9 1HZ LYS 9 -7.776 -10.516 -2.046
63 2HZ LYS 9 2HZ LYS 9 -7.121 -10.219 -3.577
64 3HZ LYS 9 3HZ LYS 9 -8.760 -9.918 -3.287
65 H CYS 10 H CYS 10 -2.463 -3.758 -2.350
66 HA CYS 10 HA CYS 10 -0.493 -3.820 -4.505
67 1HB CYS 10 2HB CYS 10 -0.854 -2.259 -2.016
68 2HB CYS 10 1HB CYS 10 0.811 -2.623 -2.460
69 H ALA 11 H ALA 11 -0.432 -4.516 -1.004
70 HA ALA 11 HA ALA 11 1.679 -6.482 -1.476
71 1HB ALA 11 1HB ALA 11 0.600 -5.340 1.099
72 2HB ALA 11 2HB ALA 11 2.083 -4.856 0.278
73 3HB ALA 11 3HB ALA 11 1.945 -6.472 0.969
74 H ALA 12 H ALA 12 1.437 -8.634 -1.176
75 HA ALA 12 HA ALA 12 -1.285 -9.599 -0.695
76 1HB ALA 12 1HB ALA 12 1.109 -10.725 -2.079
77 2HB ALA 12 2HB ALA 12 -0.551 -10.563 -2.653
78 3HB ALA 12 3HB ALA 12 -0.143 -11.812 -1.476
79 H ALA 13 H ALA 13 0.431 -8.672 1.485
80 HA ALA 13 HA ALA 13 0.046 -10.891 3.257
81 1HB ALA 13 1HB ALA 13 2.883 -9.962 2.845
82 2HB ALA 13 2HB ALA 13 2.220 -11.463 2.199
83 3HB ALA 13 3HB ALA 13 2.323 -11.223 3.943
84 H ALA 14 H ALA 14 -0.767 -8.092 2.967
85 HA ALA 14 HA ALA 14 -1.212 -6.311 4.308
86 1HB ALA 14 1HB ALA 14 -1.252 -6.604 6.622
87 2HB ALA 14 2HB ALA 14 0.115 -7.718 6.600
88 3HB ALA 14 3HB ALA 14 -1.456 -8.238 5.989
89 H ASN 15 H ASN 15 1.311 -6.527 2.861
90 HA ASN 15 HA ASN 15 3.294 -5.256 4.542
91 1HB ASN 15 2HB ASN 15 3.567 -6.871 2.423
92 2HB ASN 15 1HB ASN 15 3.619 -5.323 1.585
93 1HD2 ASN 15 1HD2 ASN 15 5.566 -7.584 2.573
94 2HD2 ASN 15 2HD2 ASN 15 6.931 -6.671 3.113
95 H VAL 16 H VAL 16 1.764 -3.478 5.055
96 HA VAL 16 HA VAL 16 0.867 -1.616 3.180
97 HB VAL 16 HB VAL 16 1.658 -1.032 6.034
98 1HG1 VAL 16 1HG1 VAL 16 -0.538 0.485 5.450
99 2HG1 VAL 16 2HG1 VAL 16 0.341 0.506 3.922
100 3HG1 VAL 16 3HG1 VAL 16 1.131 1.053 5.402
101 1HG2 VAL 16 1HG2 VAL 16 0.119 -2.592 6.525
102 2HG2 VAL 16 2HG2 VAL 16 -0.560 -2.578 4.897
103 3HG2 VAL 16 3HG2 VAL 16 -1.042 -1.347 6.066
104 H ALA 17 H ALA 17 3.890 -1.701 5.045
105 HA ALA 17 HA ALA 17 4.925 0.759 4.290
106 1HB ALA 17 1HB ALA 17 7.186 -0.689 4.448
107 2HB ALA 17 2HB ALA 17 6.068 -1.789 5.253
108 3HB ALA 17 3HB ALA 17 6.280 -0.147 5.861
109 H ALA 18 H ALA 18 5.123 -2.359 2.616
110 HA ALA 18 HA ALA 18 6.775 -1.482 0.496
111 1HB ALA 18 1HB ALA 18 6.056 -3.485 -0.670
112 2HB ALA 18 2HB ALA 18 4.711 -3.687 0.454
113 3HB ALA 18 3HB ALA 18 6.371 -3.861 1.024
114 H HIS 19 H HIS 19 3.385 -1.248 1.164
115 HA HIS 19 HA HIS 19 2.582 -0.469 -1.471
116 1HB HIS 19 2HB HIS 19 0.777 -1.359 -0.397
117 2HB HIS 19 1HB HIS 19 1.314 -0.820 1.184
118 HD2 HIS 19 2HD HIS 19 0.196 1.456 2.106
119 HE1 HIS 19 1HE HIS 19 -2.116 2.299 -1.316
120 HE2 HIS 19 2HE HIS 19 -1.569 3.014 1.048
121 H MET 20 H MET 20 2.756 1.304 1.637
122 HA MET 20 HA MET 20 2.252 3.820 0.526
123 1HB MET 20 2HB MET 20 2.241 3.124 2.981
124 2HB MET 20 1HB MET 20 3.975 3.408 2.949
125 1HG MET 20 2HG MET 20 3.035 5.704 1.850
126 2HG MET 20 1HG MET 20 1.749 5.308 2.988
127 1HE MET 20 1HE MET 20 2.741 7.920 4.436
128 2HE MET 20 2HE MET 20 2.824 6.990 5.932
129 3HE MET 20 3HE MET 20 1.623 6.584 4.707
130 H THR 21 H THR 21 5.173 1.950 0.652
131 HA THR 21 HA THR 21 7.123 3.883 0.348
132 HB THR 21 HB THR 21 7.251 1.261 0.391
133 HG1 THR 21 1HG THR 21 9.042 2.730 0.394
134 1HG2 THR 21 1HG2 THR 21 7.336 0.082 -1.525
135 2HG2 THR 21 2HG2 THR 21 7.904 1.454 -2.477
136 3HG2 THR 21 3HG2 THR 21 6.198 1.323 -2.049
137 H HIS 22 H HIS 22 4.636 2.870 -1.809
138 HA HIS 22 HA HIS 22 5.537 4.852 -3.778
139 1HB HIS 22 2HB HIS 22 4.663 3.309 -5.567
140 2HB HIS 22 1HB HIS 22 6.114 2.740 -4.745
141 HD1 HIS 22 1HD HIS 22 5.976 0.311 -4.315
142 HD2 HIS 22 2HD HIS 22 2.270 2.153 -3.998
143 HE1 HIS 22 1HE HIS 22 4.368 -1.514 -3.668
144 HE2 HIS 22 2HE HIS 22 2.166 -0.347 -3.357
145 H CYS 23 H CYS 23 3.074 3.840 -1.718
146 HA CYS 23 HA CYS 23 1.037 5.160 -3.383
147 1HB CYS 23 2HB CYS 23 0.888 2.885 -1.444
148 2HB CYS 23 1HB CYS 23 -0.485 3.974 -1.563
149 H ALA 24 H ALA 24 2.764 6.802 -2.076
150 HA ALA 24 HA ALA 24 1.466 7.623 0.412
151 1HB ALA 24 1HB ALA 24 3.995 7.413 0.150
152 2HB ALA 24 2HB ALA 24 3.379 8.894 0.886
153 3HB ALA 24 3HB ALA 24 3.901 8.897 -0.799
154 H LYS 25 H LYS 25 -0.079 7.976 -1.887
155 HA LYS 25 HA LYS 25 -0.461 10.851 -1.793
156 1HB LYS 25 2HB LYS 25 -0.502 11.130 -4.213
157 2HB LYS 25 1HB LYS 25 1.073 10.547 -3.692
158 1HG LYS 25 2HG LYS 25 -0.870 8.473 -4.461
159 2HG LYS 25 1HG LYS 25 -0.296 9.520 -5.760
160 1HD LYS 25 2HD LYS 25 1.786 8.512 -3.939
161 2HD LYS 25 1HD LYS 25 0.984 7.284 -4.922
162 1HE LYS 25 2HE LYS 25 1.887 9.788 -6.249
163 2HE LYS 25 1HE LYS 25 3.108 8.600 -5.793
164 1HZ LYS 25 1HZ LYS 25 1.800 8.538 -8.100
165 2HZ LYS 25 2HZ LYS 25 0.772 7.562 -7.176
166 3HZ LYS 25 3HZ LYS 25 2.404 7.149 -7.345
Start of MODEL 11
1 1H ALA 1 1HT ALA 1 -2.279 4.561 2.665
2 2H ALA 1 2HT ALA 1 -0.657 4.045 2.882
3 3H ALA 1 3HT ALA 1 -1.411 5.030 4.067
4 HA ALA 1 HA ALA 1 -1.176 2.545 4.462
5 1HB ALA 1 1HB ALA 1 -2.339 3.669 6.091
6 2HB ALA 1 2HB ALA 1 -3.606 2.629 5.441
7 3HB ALA 1 3HB ALA 1 -3.519 4.321 4.953
8 H VAL 2 H VAL 2 -1.640 0.619 3.760
9 HA VAL 2 HA VAL 2 -2.757 0.127 1.264
10 HB VAL 2 HB VAL 2 -1.207 -1.332 2.670
11 1HG1 VAL 2 1HG1 VAL 2 -2.641 -1.450 4.661
12 2HG1 VAL 2 2HG1 VAL 2 -2.235 -3.051 4.041
13 3HG1 VAL 2 3HG1 VAL 2 -3.832 -2.366 3.739
14 1HG2 VAL 2 1HG2 VAL 2 -1.816 -2.153 0.564
15 2HG2 VAL 2 2HG2 VAL 2 -3.494 -2.403 1.045
16 3HG2 VAL 2 3HG2 VAL 2 -2.230 -3.461 1.673
17 H SER 3 H SER 3 -4.294 0.569 4.318
18 HA SER 3 HA SER 3 -6.694 -0.856 3.773
19 1HB SER 3 2HB SER 3 -5.760 1.069 5.833
20 2HB SER 3 1HB SER 3 -7.504 0.944 5.601
21 HG SER 3 HG SER 3 -7.452 -1.142 6.211
22 H ALA 4 H ALA 4 -5.630 2.462 3.269
23 HA ALA 4 HA ALA 4 -8.205 3.081 1.995
24 1HB ALA 4 1HB ALA 4 -7.207 5.475 2.088
25 2HB ALA 4 2HB ALA 4 -6.097 4.777 3.267
26 3HB ALA 4 3HB ALA 4 -7.835 4.740 3.563
27 H CYS 5 H CYS 5 -5.722 1.607 0.910
28 HA CYS 5 HA CYS 5 -4.496 3.177 -1.058
29 1HB CYS 5 2HB CYS 5 -3.595 1.015 -0.419
30 2HB CYS 5 1HB CYS 5 -5.038 0.204 -1.009
31 H ALA 6 H ALA 6 -4.975 3.655 -3.148
32 HA ALA 6 HA ALA 6 -7.760 3.376 -3.928
33 1HB ALA 6 1HB ALA 6 -6.901 4.790 -5.919
34 2HB ALA 6 2HB ALA 6 -5.449 4.990 -4.938
35 3HB ALA 6 3HB ALA 6 -7.009 5.536 -4.325
36 H LEU 7 H LEU 7 -4.593 2.206 -4.876
37 HA LEU 7 HA LEU 7 -5.793 0.708 -7.093
38 1HB LEU 7 2HB LEU 7 -3.530 0.394 -7.893
39 2HB LEU 7 1HB LEU 7 -3.866 2.094 -7.658
40 HG LEU 7 HG LEU 7 -2.711 1.165 -5.254
41 1HD1 LEU 7 1HD1 LEU 7 -1.741 -0.735 -6.185
42 2HD1 LEU 7 2HD1 LEU 7 -0.461 0.476 -6.276
43 3HD1 LEU 7 3HD1 LEU 7 -1.398 0.074 -7.715
44 1HD2 LEU 7 1HD2 LEU 7 -0.782 2.627 -6.151
45 2HD2 LEU 7 2HD2 LEU 7 -2.351 3.377 -5.856
46 3HD2 LEU 7 3HD2 LEU 7 -1.870 2.956 -7.499
47 H SER 8 H SER 8 -6.691 -1.049 -6.090
48 HA SER 8 HA SER 8 -5.832 -2.490 -3.946
49 1HB SER 8 2HB SER 8 -7.915 -2.779 -5.529
50 2HB SER 8 1HB SER 8 -6.902 -4.002 -6.297
51 HG SER 8 HG SER 8 -8.249 -4.814 -4.584
52 H LYS 9 H LYS 9 -4.858 -4.677 -3.844
53 HA LYS 9 HA LYS 9 -3.097 -6.090 -4.115
54 1HB LYS 9 2HB LYS 9 -3.219 -5.166 -6.992
55 2HB LYS 9 1HB LYS 9 -2.331 -6.566 -6.405
56 1HG LYS 9 2HG LYS 9 -4.737 -7.213 -5.481
57 2HG LYS 9 1HG LYS 9 -5.235 -6.204 -6.841
58 1HD LYS 9 2HD LYS 9 -4.523 -7.698 -8.376
59 2HD LYS 9 1HD LYS 9 -3.106 -8.152 -7.426
60 1HE LYS 9 2HE LYS 9 -4.547 -10.055 -7.564
61 2HE LYS 9 1HE LYS 9 -4.615 -9.435 -5.915
62 1HZ LYS 9 1HZ LYS 9 -6.680 -9.469 -7.975
63 2HZ LYS 9 2HZ LYS 9 -6.642 -8.119 -6.959
64 3HZ LYS 9 3HZ LYS 9 -6.818 -9.666 -6.300
65 H CYS 10 H CYS 10 -1.651 -4.985 -2.815
66 HA CYS 10 HA CYS 10 0.456 -3.558 -4.271
67 1HB CYS 10 2HB CYS 10 -1.228 -2.497 -2.074
68 2HB CYS 10 1HB CYS 10 0.496 -2.151 -1.976
69 H ALA 11 H ALA 11 -0.115 -6.215 -2.686
70 HA ALA 11 HA ALA 11 2.488 -6.801 -1.971
71 1HB ALA 11 1HB ALA 11 0.878 -5.669 0.293
72 2HB ALA 11 2HB ALA 11 2.527 -5.283 -0.197
73 3HB ALA 11 3HB ALA 11 2.177 -6.828 0.579
74 H ALA 12 H ALA 12 -0.895 -7.276 -1.076
75 HA ALA 12 HA ALA 12 -2.157 -9.149 -0.806
76 1HB ALA 12 1HB ALA 12 -1.839 -10.853 -2.292
77 2HB ALA 12 2HB ALA 12 -0.092 -10.890 -2.047
78 3HB ALA 12 3HB ALA 12 -0.817 -9.620 -3.033
79 H ALA 13 H ALA 13 -0.114 -8.392 1.187
80 HA ALA 13 HA ALA 13 -0.280 -10.778 2.793
81 1HB ALA 13 1HB ALA 13 1.881 -10.830 1.295
82 2HB ALA 13 2HB ALA 13 1.931 -11.344 2.982
83 3HB ALA 13 3HB ALA 13 2.496 -9.734 2.533
84 H ALA 14 H ALA 14 -1.151 -7.942 2.820
85 HA ALA 14 HA ALA 14 -1.463 -6.280 4.339
86 1HB ALA 14 1HB ALA 14 -2.048 -7.696 6.042
87 2HB ALA 14 2HB ALA 14 -0.634 -6.915 6.751
88 3HB ALA 14 3HB ALA 14 -0.490 -8.522 6.039
89 H ASN 15 H ASN 15 0.985 -6.388 2.760
90 HA ASN 15 HA ASN 15 3.026 -5.271 4.509
91 1HB ASN 15 2HB ASN 15 3.223 -6.810 2.284
92 2HB ASN 15 1HB ASN 15 3.436 -5.211 1.581
93 1HD2 ASN 15 1HD2 ASN 15 4.443 -6.674 4.651
94 2HD2 ASN 15 2HD2 ASN 15 6.125 -6.320 4.464
95 H VAL 16 H VAL 16 1.752 -3.420 5.127
96 HA VAL 16 HA VAL 16 0.802 -1.502 3.305
97 HB VAL 16 HB VAL 16 1.718 -0.990 6.134
98 1HG1 VAL 16 1HG1 VAL 16 -0.451 0.594 5.682
99 2HG1 VAL 16 2HG1 VAL 16 0.326 0.596 4.099
100 3HG1 VAL 16 3HG1 VAL 16 1.227 1.115 5.523
101 1HG2 VAL 16 1HG2 VAL 16 0.174 -2.557 6.632
102 2HG2 VAL 16 2HG2 VAL 16 -0.619 -2.427 5.062
103 3HG2 VAL 16 3HG2 VAL 16 -0.961 -1.243 6.323
104 H ALA 17 H ALA 17 3.893 -1.766 5.027
105 HA ALA 17 HA ALA 17 4.979 0.683 4.275
106 1HB ALA 17 1HB ALA 17 6.376 -1.948 4.762
107 2HB ALA 17 2HB ALA 17 6.047 -0.687 5.950
108 3HB ALA 17 3HB ALA 17 7.188 -0.387 4.640
109 H ALA 18 H ALA 18 4.998 -2.426 2.580
110 HA ALA 18 HA ALA 18 6.619 -1.596 0.414
111 1HB ALA 18 1HB ALA 18 5.350 -3.530 -0.770
112 2HB ALA 18 2HB ALA 18 4.671 -3.834 0.829
113 3HB ALA 18 3HB ALA 18 6.417 -3.902 0.584
114 H HIS 19 H HIS 19 3.280 -1.205 1.216
115 HA HIS 19 HA HIS 19 2.398 -0.423 -1.394
116 1HB HIS 19 2HB HIS 19 0.602 -1.213 -0.233
117 2HB HIS 19 1HB HIS 19 1.229 -0.677 1.317
118 HD2 HIS 19 2HD HIS 19 0.278 1.685 2.234
119 HE1 HIS 19 1HE HIS 19 -2.144 2.563 -1.105
120 HE2 HIS 19 2HE HIS 19 -1.449 3.309 1.211
121 H MET 20 H MET 20 2.772 1.382 1.680
122 HA MET 20 HA MET 20 2.341 3.903 0.550
123 1HB MET 20 2HB MET 20 2.380 3.257 3.008
124 2HB MET 20 1HB MET 20 4.126 3.427 2.917
125 1HG MET 20 2HG MET 20 3.309 5.766 1.819
126 2HG MET 20 1HG MET 20 2.030 5.469 2.994
127 1HE MET 20 1HE MET 20 2.715 6.390 5.889
128 2HE MET 20 2HE MET 20 3.752 5.009 6.247
129 3HE MET 20 3HE MET 20 2.334 4.805 5.216
130 H THR 21 H THR 21 5.187 1.912 0.617
131 HA THR 21 HA THR 21 7.203 3.754 0.204
132 HB THR 21 HB THR 21 7.217 1.129 0.304
133 HG1 THR 21 1HG THR 21 9.305 1.220 -0.304
134 1HG2 THR 21 1HG2 THR 21 7.259 -0.088 -1.607
135 2HG2 THR 21 2HG2 THR 21 7.749 1.281 -2.604
136 3HG2 THR 21 3HG2 THR 21 6.075 1.134 -2.067
137 H HIS 22 H HIS 22 4.601 2.816 -1.844
138 HA HIS 22 HA HIS 22 5.524 4.708 -3.888
139 1HB HIS 22 2HB HIS 22 4.569 3.171 -5.622
140 2HB HIS 22 1HB HIS 22 5.990 2.533 -4.796
141 HD1 HIS 22 1HD HIS 22 5.693 0.114 -4.383
142 HD2 HIS 22 2HD HIS 22 2.135 2.205 -3.950
143 HE1 HIS 22 1HE HIS 22 3.989 -1.594 -3.669
144 HE2 HIS 22 2HE HIS 22 1.889 -0.274 -3.272
145 H CYS 23 H CYS 23 3.083 3.861 -1.730
146 HA CYS 23 HA CYS 23 1.048 5.189 -3.395
147 1HB CYS 23 2HB CYS 23 0.875 2.998 -1.371
148 2HB CYS 23 1HB CYS 23 -0.451 4.146 -1.457
149 H ALA 24 H ALA 24 0.764 7.246 -2.890
150 HA ALA 24 HA ALA 24 0.252 8.068 -0.196
151 1HB ALA 24 1HB ALA 24 2.553 8.189 0.139
152 2HB ALA 24 2HB ALA 24 2.113 9.842 -0.292
153 3HB ALA 24 3HB ALA 24 2.857 8.786 -1.493
154 H LYS 25 H LYS 25 -1.155 8.130 -2.672
155 HA LYS 25 HA LYS 25 -1.799 10.956 -2.745
156 1HB LYS 25 2HB LYS 25 -1.649 11.136 -5.175
157 2HB LYS 25 1HB LYS 25 -0.079 10.751 -4.483
158 1HG LYS 25 2HG LYS 25 -1.783 8.503 -5.405
159 2HG LYS 25 1HG LYS 25 -1.002 9.516 -6.621
160 1HD LYS 25 2HD LYS 25 0.722 8.653 -4.394
161 2HD LYS 25 1HD LYS 25 0.159 7.364 -5.461
162 1HE LYS 25 2HE LYS 25 0.925 8.865 -7.383
163 2HE LYS 25 1HE LYS 25 1.780 9.797 -6.154
164 1HZ LYS 25 1HZ LYS 25 3.257 8.189 -7.110
165 2HZ LYS 25 2HZ LYS 25 2.180 6.925 -6.791
166 3HZ LYS 25 3HZ LYS 25 2.934 7.735 -5.511
Start of MODEL 12
1 1H ALA 1 1HT ALA 1 -2.292 4.569 2.676
2 2H ALA 1 2HT ALA 1 -0.669 4.051 2.885
3 3H ALA 1 3HT ALA 1 -1.417 5.037 4.074
4 HA ALA 1 HA ALA 1 -1.182 2.553 4.471
5 1HB ALA 1 1HB ALA 1 -2.358 3.565 6.127
6 2HB ALA 1 2HB ALA 1 -3.689 2.684 5.375
7 3HB ALA 1 3HB ALA 1 -3.441 4.392 5.007
8 H VAL 2 H VAL 2 -1.646 0.626 3.773
9 HA VAL 2 HA VAL 2 -2.763 0.129 1.276
10 HB VAL 2 HB VAL 2 -1.210 -1.325 2.684
11 1HG1 VAL 2 1HG1 VAL 2 -2.906 -1.369 4.607
12 2HG1 VAL 2 2HG1 VAL 2 -2.071 -2.870 4.207
13 3HG1 VAL 2 3HG1 VAL 2 -3.732 -2.614 3.672
14 1HG2 VAL 2 1HG2 VAL 2 -1.816 -2.152 0.580
15 2HG2 VAL 2 2HG2 VAL 2 -3.496 -2.399 1.059
16 3HG2 VAL 2 3HG2 VAL 2 -2.233 -3.457 1.691
17 H SER 3 H SER 3 -4.300 0.582 4.328
18 HA SER 3 HA SER 3 -6.697 -0.852 3.788
19 1HB SER 3 2HB SER 3 -5.772 1.088 5.841
20 2HB SER 3 1HB SER 3 -7.514 0.940 5.614
21 HG SER 3 HG SER 3 -5.678 -1.125 6.254
22 H ALA 4 H ALA 4 -5.637 2.464 3.272
23 HA ALA 4 HA ALA 4 -8.214 3.076 1.997
24 1HB ALA 4 1HB ALA 4 -7.951 5.272 2.559
25 2HB ALA 4 2HB ALA 4 -6.191 5.195 2.487
26 3HB ALA 4 3HB ALA 4 -7.047 4.523 3.874
27 H CYS 5 H CYS 5 -5.730 1.606 0.915
28 HA CYS 5 HA CYS 5 -4.502 3.175 -1.052
29 1HB CYS 5 2HB CYS 5 -3.603 1.013 -0.415
30 2HB CYS 5 1HB CYS 5 -5.048 0.203 -1.005
31 H ALA 6 H ALA 6 -4.975 3.648 -3.146
32 HA ALA 6 HA ALA 6 -7.760 3.369 -3.929
33 1HB ALA 6 1HB ALA 6 -6.829 4.770 -5.936
34 2HB ALA 6 2HB ALA 6 -5.461 5.030 -4.853
35 3HB ALA 6 3HB ALA 6 -7.081 5.523 -4.361
36 H LEU 7 H LEU 7 -4.588 2.213 -4.872
37 HA LEU 7 HA LEU 7 -5.773 0.722 -7.099
38 1HB LEU 7 2HB LEU 7 -3.504 0.415 -7.888
39 2HB LEU 7 1HB LEU 7 -3.847 2.113 -7.650
40 HG LEU 7 HG LEU 7 -2.702 1.177 -5.242
41 1HD1 LEU 7 1HD1 LEU 7 -1.731 -0.718 -6.196
42 2HD1 LEU 7 2HD1 LEU 7 -0.449 0.492 -6.235
43 3HD1 LEU 7 3HD1 LEU 7 -1.355 0.120 -7.702
44 1HD2 LEU 7 1HD2 LEU 7 -2.347 3.394 -5.829
45 2HD2 LEU 7 2HD2 LEU 7 -1.858 2.984 -7.473
46 3HD2 LEU 7 3HD2 LEU 7 -0.774 2.652 -6.122
47 H SER 8 H SER 8 -6.674 -1.038 -6.103
48 HA SER 8 HA SER 8 -5.820 -2.487 -3.962
49 1HB SER 8 2HB SER 8 -6.951 -3.846 -6.402
50 2HB SER 8 1HB SER 8 -7.197 -4.262 -4.707
51 HG SER 8 HG SER 8 -8.766 -2.812 -6.149
52 H LYS 9 H LYS 9 -4.842 -4.671 -3.863
53 HA LYS 9 HA LYS 9 -3.080 -6.082 -4.136
54 1HB LYS 9 2HB LYS 9 -4.216 -5.967 -6.571
55 2HB LYS 9 1HB LYS 9 -2.629 -5.321 -6.966
56 1HG LYS 9 2HG LYS 9 -2.124 -7.485 -7.277
57 2HG LYS 9 1HG LYS 9 -1.909 -7.475 -5.525
58 1HD LYS 9 2HD LYS 9 -4.514 -8.152 -6.880
59 2HD LYS 9 1HD LYS 9 -3.311 -9.359 -6.424
60 1HE LYS 9 2HE LYS 9 -4.516 -9.437 -4.518
61 2HE LYS 9 1HE LYS 9 -3.538 -8.032 -4.098
62 1HZ LYS 9 1HZ LYS 9 -6.300 -8.042 -5.175
63 2HZ LYS 9 2HZ LYS 9 -5.356 -6.644 -5.052
64 3HZ LYS 9 3HZ LYS 9 -5.787 -7.496 -3.657
65 H CYS 10 H CYS 10 -1.640 -4.981 -2.826
66 HA CYS 10 HA CYS 10 0.472 -3.552 -4.269
67 1HB CYS 10 2HB CYS 10 -1.213 -2.498 -2.067
68 2HB CYS 10 1HB CYS 10 0.509 -2.138 -1.985
69 H ALA 11 H ALA 11 -0.103 -6.211 -2.694
70 HA ALA 11 HA ALA 11 2.494 -6.799 -1.966
71 1HB ALA 11 1HB ALA 11 0.882 -5.650 0.286
72 2HB ALA 11 2HB ALA 11 2.541 -5.289 -0.191
73 3HB ALA 11 3HB ALA 11 2.162 -6.826 0.586
74 H ALA 12 H ALA 12 -0.890 -7.266 -1.067
75 HA ALA 12 HA ALA 12 -2.157 -9.137 -0.798
76 1HB ALA 12 1HB ALA 12 -0.766 -9.612 -3.020
77 2HB ALA 12 2HB ALA 12 -1.866 -10.799 -2.319
78 3HB ALA 12 3HB ALA 12 -0.132 -10.920 -2.022
79 H ALA 13 H ALA 13 -0.110 -8.387 1.192
80 HA ALA 13 HA ALA 13 -0.278 -10.774 2.796
81 1HB ALA 13 1HB ALA 13 2.501 -9.757 2.600
82 2HB ALA 13 2HB ALA 13 1.903 -10.763 1.281
83 3HB ALA 13 3HB ALA 13 1.909 -11.384 2.931
84 H ALA 14 H ALA 14 -1.146 -7.938 2.828
85 HA ALA 14 HA ALA 14 -1.454 -6.278 4.350
86 1HB ALA 14 1HB ALA 14 -0.202 -8.280 6.226
87 2HB ALA 14 2HB ALA 14 -1.924 -8.062 5.909
88 3HB ALA 14 3HB ALA 14 -1.010 -6.793 6.724
89 H ASN 15 H ASN 15 0.991 -6.385 2.766
90 HA ASN 15 HA ASN 15 3.036 -5.272 4.512
91 1HB ASN 15 2HB ASN 15 3.221 -6.807 2.279
92 2HB ASN 15 1HB ASN 15 3.450 -5.205 1.587
93 1HD2 ASN 15 1HD2 ASN 15 4.735 -4.002 3.774
94 2HD2 ASN 15 2HD2 ASN 15 6.304 -4.706 3.931
95 H VAL 16 H VAL 16 1.746 -3.424 5.129
96 HA VAL 16 HA VAL 16 0.800 -1.504 3.311
97 HB VAL 16 HB VAL 16 1.720 -1.000 6.143
98 1HG1 VAL 16 1HG1 VAL 16 1.266 1.111 5.511
99 2HG1 VAL 16 2HG1 VAL 16 -0.415 0.617 5.715
100 3HG1 VAL 16 3HG1 VAL 16 0.321 0.599 4.113
101 1HG2 VAL 16 1HG2 VAL 16 -0.150 -1.944 6.962
102 2HG2 VAL 16 2HG2 VAL 16 -0.145 -2.840 5.444
103 3HG2 VAL 16 3HG2 VAL 16 -1.143 -1.397 5.612
104 H ALA 17 H ALA 17 3.895 -1.764 5.028
105 HA ALA 17 HA ALA 17 4.980 0.683 4.267
106 1HB ALA 17 1HB ALA 17 6.704 -1.756 4.442
107 2HB ALA 17 2HB ALA 17 5.888 -1.143 5.881
108 3HB ALA 17 3HB ALA 17 7.025 -0.116 5.006
109 H ALA 18 H ALA 18 4.993 -2.429 2.579
110 HA ALA 18 HA ALA 18 6.609 -1.606 0.408
111 1HB ALA 18 1HB ALA 18 5.091 -3.538 -0.704
112 2HB ALA 18 2HB ALA 18 4.837 -3.891 1.005
113 3HB ALA 18 3HB ALA 18 6.472 -3.865 0.343
114 H HIS 19 H HIS 19 3.270 -1.215 1.214
115 HA HIS 19 HA HIS 19 2.384 -0.435 -1.395
116 1HB HIS 19 2HB HIS 19 0.590 -1.221 -0.228
117 2HB HIS 19 1HB HIS 19 1.222 -0.683 1.319
118 HD2 HIS 19 2HD HIS 19 0.267 1.674 2.238
119 HE1 HIS 19 1HE HIS 19 -2.153 2.559 -1.101
120 HE2 HIS 19 2HE HIS 19 -1.459 3.302 1.218
121 H MET 20 H MET 20 2.768 1.376 1.675
122 HA MET 20 HA MET 20 2.339 3.897 0.538
123 1HB MET 20 2HB MET 20 2.381 3.253 3.000
124 2HB MET 20 1HB MET 20 4.128 3.424 2.905
125 1HG MET 20 2HG MET 20 4.042 5.682 2.743
126 2HG MET 20 1HG MET 20 2.494 5.672 1.898
127 1HE MET 20 1HE MET 20 2.815 7.937 4.380
128 2HE MET 20 2HE MET 20 1.089 7.700 4.658
129 3HE MET 20 3HE MET 20 1.738 7.613 3.021
130 H THR 21 H THR 21 5.176 1.896 0.598
131 HA THR 21 HA THR 21 7.201 3.729 0.181
132 HB THR 21 HB THR 21 7.207 1.106 0.278
133 HG1 THR 21 1HG THR 21 9.277 1.275 -0.144
134 1HG2 THR 21 1HG2 THR 21 7.782 1.184 -2.605
135 2HG2 THR 21 2HG2 THR 21 6.080 1.195 -2.144
136 3HG2 THR 21 3HG2 THR 21 7.131 -0.115 -1.604
137 H HIS 22 H HIS 22 4.590 2.801 -1.861
138 HA HIS 22 HA HIS 22 5.509 4.699 -3.902
139 1HB HIS 22 2HB HIS 22 4.528 3.167 -5.633
140 2HB HIS 22 1HB HIS 22 5.960 2.529 -4.827
141 HD1 HIS 22 1HD HIS 22 5.679 0.114 -4.391
142 HD2 HIS 22 2HD HIS 22 2.111 2.190 -3.959
143 HE1 HIS 22 1HE HIS 22 3.985 -1.600 -3.667
144 HE2 HIS 22 2HE HIS 22 1.878 -0.289 -3.272
145 H CYS 23 H CYS 23 3.075 3.838 -1.740
146 HA CYS 23 HA CYS 23 1.038 5.197 -3.374
147 1HB CYS 23 2HB CYS 23 0.865 2.987 -1.367
148 2HB CYS 23 1HB CYS 23 -0.458 4.138 -1.447
149 H ALA 24 H ALA 24 2.961 6.723 -2.088
150 HA ALA 24 HA ALA 24 1.711 7.728 0.356
151 1HB ALA 24 1HB ALA 24 4.388 8.120 -0.924
152 2HB ALA 24 2HB ALA 24 3.998 7.535 0.693
153 3HB ALA 24 3HB ALA 24 3.806 9.244 0.304
154 H LYS 25 H LYS 25 0.177 8.157 -1.901
155 HA LYS 25 HA LYS 25 0.099 11.059 -1.940
156 1HB LYS 25 2HB LYS 25 -0.006 11.219 -4.368
157 2HB LYS 25 1HB LYS 25 1.517 10.494 -3.870
158 1HG LYS 25 2HG LYS 25 0.110 8.264 -4.237
159 2HG LYS 25 1HG LYS 25 -0.751 9.319 -5.359
160 1HD LYS 25 2HD LYS 25 2.220 9.329 -5.432
161 2HD LYS 25 1HD LYS 25 1.380 7.929 -6.100
162 1HE LYS 25 2HE LYS 25 -0.057 9.882 -7.234
163 2HE LYS 25 1HE LYS 25 1.480 10.727 -7.058
164 1HZ LYS 25 1HZ LYS 25 1.889 9.751 -9.028
165 2HZ LYS 25 2HZ LYS 25 0.777 8.499 -8.784
166 3HZ LYS 25 3HZ LYS 25 2.309 8.419 -8.073
Start of MODEL 13
1 1H ALA 1 1HT ALA 1 -1.430 4.694 4.208
2 2H ALA 1 2HT ALA 1 -2.359 4.273 2.828
3 3H ALA 1 3HT ALA 1 -0.707 3.820 2.924
4 HA ALA 1 HA ALA 1 -1.071 2.217 4.456
5 1HB ALA 1 1HB ALA 1 -2.242 3.195 6.175
6 2HB ALA 1 2HB ALA 1 -3.461 2.104 5.517
7 3HB ALA 1 3HB ALA 1 -3.501 3.819 5.110
8 H VAL 2 H VAL 2 -1.414 0.325 3.628
9 HA VAL 2 HA VAL 2 -2.552 -0.126 1.154
10 HB VAL 2 HB VAL 2 -0.940 -1.572 2.472
11 1HG1 VAL 2 1HG1 VAL 2 -3.333 -3.060 3.463
12 2HG1 VAL 2 2HG1 VAL 2 -2.679 -1.720 4.406
13 3HG1 VAL 2 3HG1 VAL 2 -1.663 -3.111 4.029
14 1HG2 VAL 2 1HG2 VAL 2 -1.980 -3.724 1.466
15 2HG2 VAL 2 2HG2 VAL 2 -1.518 -2.407 0.386
16 3HG2 VAL 2 3HG2 VAL 2 -3.210 -2.631 0.833
17 H SER 3 H SER 3 -4.080 0.058 4.255
18 HA SER 3 HA SER 3 -6.451 -1.376 3.566
19 1HB SER 3 2HB SER 3 -5.406 -0.570 5.923
20 2HB SER 3 1HB SER 3 -6.594 0.709 5.670
21 HG SER 3 HG SER 3 -7.098 -1.584 6.680
22 H ALA 4 H ALA 4 -5.360 1.924 3.271
23 HA ALA 4 HA ALA 4 -7.995 2.710 2.225
24 1HB ALA 4 1HB ALA 4 -5.850 4.687 2.862
25 2HB ALA 4 2HB ALA 4 -6.798 3.968 4.164
26 3HB ALA 4 3HB ALA 4 -7.603 4.882 2.889
27 H CYS 5 H CYS 5 -5.523 1.326 0.924
28 HA CYS 5 HA CYS 5 -4.364 3.015 -0.958
29 1HB CYS 5 2HB CYS 5 -3.577 0.733 -0.551
30 2HB CYS 5 1HB CYS 5 -5.060 0.084 -1.238
31 H ALA 6 H ALA 6 -4.887 3.653 -3.019
32 HA ALA 6 HA ALA 6 -7.733 3.519 -3.669
33 1HB ALA 6 1HB ALA 6 -5.767 5.202 -5.161
34 2HB ALA 6 2HB ALA 6 -6.310 5.685 -3.554
35 3HB ALA 6 3HB ALA 6 -7.481 5.483 -4.858
36 H LEU 7 H LEU 7 -4.635 2.430 -4.835
37 HA LEU 7 HA LEU 7 -5.759 1.651 -7.401
38 1HB LEU 7 2HB LEU 7 -3.614 1.381 -8.162
39 2HB LEU 7 1HB LEU 7 -3.404 2.648 -6.976
40 HG LEU 7 HG LEU 7 -2.923 0.461 -5.448
41 1HD1 LEU 7 1HD1 LEU 7 -2.999 -0.623 -7.975
42 2HD1 LEU 7 2HD1 LEU 7 -2.209 -1.331 -6.566
43 3HD1 LEU 7 3HD1 LEU 7 -1.278 -0.356 -7.703
44 1HD2 LEU 7 1HD2 LEU 7 -1.582 2.575 -5.797
45 2HD2 LEU 7 2HD2 LEU 7 -0.799 1.746 -7.143
46 3HD2 LEU 7 3HD2 LEU 7 -0.650 1.107 -5.507
47 H SER 8 H SER 8 -5.004 -0.617 -8.173
48 HA SER 8 HA SER 8 -6.448 -2.541 -6.850
49 1HB SER 8 2HB SER 8 -4.354 -2.586 -8.952
50 2HB SER 8 1HB SER 8 -4.718 -4.118 -8.158
51 HG SER 8 HG SER 8 -6.072 -2.962 -10.085
52 H LYS 9 H LYS 9 -5.191 -4.792 -6.335
53 HA LYS 9 HA LYS 9 -4.271 -4.630 -3.761
54 1HB LYS 9 2HB LYS 9 -3.940 -6.665 -5.920
55 2HB LYS 9 1HB LYS 9 -3.028 -6.865 -4.432
56 1HG LYS 9 2HG LYS 9 -5.094 -6.844 -3.145
57 2HG LYS 9 1HG LYS 9 -6.022 -6.605 -4.627
58 1HD LYS 9 2HD LYS 9 -5.674 -8.758 -5.351
59 2HD LYS 9 1HD LYS 9 -4.163 -8.928 -4.456
60 1HE LYS 9 2HE LYS 9 -5.461 -10.210 -3.116
61 2HE LYS 9 1HE LYS 9 -5.849 -8.646 -2.401
62 1HZ LYS 9 1HZ LYS 9 -7.486 -10.371 -4.103
63 2HZ LYS 9 2HZ LYS 9 -7.692 -8.700 -4.254
64 3HZ LYS 9 3HZ LYS 9 -7.930 -9.448 -2.756
65 H CYS 10 H CYS 10 -2.353 -4.342 -2.738
66 HA CYS 10 HA CYS 10 -0.034 -3.685 -4.432
67 1HB CYS 10 2HB CYS 10 -1.205 -2.323 -2.062
68 2HB CYS 10 1HB CYS 10 0.551 -2.336 -2.195
69 H ALA 11 H ALA 11 -1.104 -5.090 -1.372
70 HA ALA 11 HA ALA 11 1.341 -6.711 -1.347
71 1HB ALA 11 1HB ALA 11 0.229 -5.382 1.119
72 2HB ALA 11 2HB ALA 11 1.623 -4.798 0.211
73 3HB ALA 11 3HB ALA 11 1.684 -6.371 1.006
74 H ALA 12 H ALA 12 0.961 -8.808 -1.019
75 HA ALA 12 HA ALA 12 -1.759 -9.618 -0.296
76 1HB ALA 12 1HB ALA 12 0.474 -10.937 -1.782
77 2HB ALA 12 2HB ALA 12 -1.204 -10.692 -2.265
78 3HB ALA 12 3HB ALA 12 -0.804 -11.914 -1.058
79 H ALA 13 H ALA 13 0.198 -8.682 1.686
80 HA ALA 13 HA ALA 13 -0.138 -10.820 3.581
81 1HB ALA 13 1HB ALA 13 1.912 -11.565 2.524
82 2HB ALA 13 2HB ALA 13 2.244 -11.012 4.165
83 3HB ALA 13 3HB ALA 13 2.650 -9.986 2.788
84 H ALA 14 H ALA 14 -0.901 -7.998 3.206
85 HA ALA 14 HA ALA 14 -1.233 -6.156 4.498
86 1HB ALA 14 1HB ALA 14 0.177 -7.338 6.833
87 2HB ALA 14 2HB ALA 14 -1.297 -8.121 6.263
88 3HB ALA 14 3HB ALA 14 -1.334 -6.430 6.763
89 H ASN 15 H ASN 15 1.207 -6.488 2.939
90 HA ASN 15 HA ASN 15 3.319 -5.246 4.471
91 1HB ASN 15 2HB ASN 15 3.332 -6.853 2.275
92 2HB ASN 15 1HB ASN 15 3.534 -5.273 1.525
93 1HD2 ASN 15 1HD2 ASN 15 4.979 -4.028 3.584
94 2HD2 ASN 15 2HD2 ASN 15 6.545 -4.753 3.658
95 H VAL 16 H VAL 16 1.860 -3.429 5.066
96 HA VAL 16 HA VAL 16 0.920 -1.544 3.229
97 HB VAL 16 HB VAL 16 1.845 -0.995 6.050
98 1HG1 VAL 16 1HG1 VAL 16 -0.328 0.596 5.542
99 2HG1 VAL 16 2HG1 VAL 16 0.524 0.608 3.998
100 3HG1 VAL 16 3HG1 VAL 16 1.357 1.111 5.469
101 1HG2 VAL 16 1HG2 VAL 16 -0.022 -2.840 5.367
102 2HG2 VAL 16 2HG2 VAL 16 -1.018 -1.394 5.526
103 3HG2 VAL 16 3HG2 VAL 16 -0.025 -1.933 6.879
104 H ALA 17 H ALA 17 4.016 -1.705 4.960
105 HA ALA 17 HA ALA 17 5.078 0.729 4.169
106 1HB ALA 17 1HB ALA 17 6.360 -1.904 4.817
107 2HB ALA 17 2HB ALA 17 6.300 -0.432 5.786
108 3HB ALA 17 3HB ALA 17 7.326 -0.503 4.354
109 H ALA 18 H ALA 18 5.124 -2.380 2.473
110 HA ALA 18 HA ALA 18 6.702 -1.531 0.286
111 1HB ALA 18 1HB ALA 18 6.313 -3.593 -0.602
112 2HB ALA 18 2HB ALA 18 4.603 -3.578 -0.169
113 3HB ALA 18 3HB ALA 18 5.821 -3.926 1.058
114 H HIS 19 H HIS 19 3.350 -1.223 1.103
115 HA HIS 19 HA HIS 19 2.450 -0.409 -1.490
116 1HB HIS 19 2HB HIS 19 0.675 -1.267 -0.342
117 2HB HIS 19 1HB HIS 19 1.294 -0.749 1.217
118 HD2 HIS 19 2HD HIS 19 0.262 1.540 2.201
119 HE1 HIS 19 1HE HIS 19 -2.181 2.454 -1.111
120 HE2 HIS 19 2HE HIS 19 -1.516 3.142 1.231
121 H MET 20 H MET 20 2.803 1.338 1.618
122 HA MET 20 HA MET 20 2.305 3.873 0.543
123 1HB MET 20 2HB MET 20 2.393 3.147 2.995
124 2HB MET 20 1HB MET 20 4.125 3.427 2.887
125 1HG MET 20 2HG MET 20 3.897 5.680 2.763
126 2HG MET 20 1HG MET 20 2.333 5.587 1.956
127 1HE MET 20 1HE MET 20 0.924 6.862 2.784
128 2HE MET 20 2HE MET 20 1.335 7.738 4.259
129 3HE MET 20 3HE MET 20 0.000 6.586 4.261
130 H THR 21 H THR 21 5.186 1.939 0.527
131 HA THR 21 HA THR 21 7.166 3.831 0.158
132 HB THR 21 HB THR 21 7.238 1.208 0.171
133 HG1 THR 21 1HG THR 21 9.304 1.419 -0.310
134 1HG2 THR 21 1HG2 THR 21 7.220 0.046 -1.762
135 2HG2 THR 21 2HG2 THR 21 7.743 1.425 -2.729
136 3HG2 THR 21 3HG2 THR 21 6.064 1.302 -2.205
137 H HIS 22 H HIS 22 4.566 2.898 -1.898
138 HA HIS 22 HA HIS 22 5.422 4.883 -3.884
139 1HB HIS 22 2HB HIS 22 4.430 3.376 -5.646
140 2HB HIS 22 1HB HIS 22 5.907 2.772 -4.901
141 HD1 HIS 22 1HD HIS 22 5.750 0.347 -4.462
142 HD2 HIS 22 2HD HIS 22 2.086 2.241 -4.003
143 HE1 HIS 22 1HE HIS 22 4.140 -1.457 -3.762
144 HE2 HIS 22 2HE HIS 22 1.969 -0.257 -3.366
145 H CYS 23 H CYS 23 3.029 3.890 -1.730
146 HA CYS 23 HA CYS 23 0.947 5.272 -3.285
147 1HB CYS 23 2HB CYS 23 0.840 2.986 -1.355
148 2HB CYS 23 1HB CYS 23 -0.516 4.099 -1.414
149 H ALA 24 H ALA 24 2.788 6.847 -2.020
150 HA ALA 24 HA ALA 24 1.591 7.683 0.514
151 1HB ALA 24 1HB ALA 24 4.204 8.238 -0.832
152 2HB ALA 24 2HB ALA 24 3.890 7.590 0.779
153 3HB ALA 24 3HB ALA 24 3.614 9.300 0.446
154 H LYS 25 H LYS 25 0.025 8.119 -1.772
155 HA LYS 25 HA LYS 25 -0.261 11.003 -1.620
156 1HB LYS 25 2HB LYS 25 -0.327 11.327 -4.032
157 2HB LYS 25 1HB LYS 25 1.234 10.678 -3.548
158 1HG LYS 25 2HG LYS 25 -0.798 8.691 -4.323
159 2HG LYS 25 1HG LYS 25 -0.203 9.740 -5.611
160 1HD LYS 25 2HD LYS 25 1.860 8.612 -3.836
161 2HD LYS 25 1HD LYS 25 1.003 7.444 -4.846
162 1HE LYS 25 2HE LYS 25 1.499 9.383 -6.656
163 2HE LYS 25 1HE LYS 25 2.891 9.581 -5.594
164 1HZ LYS 25 1HZ LYS 25 2.110 7.222 -7.185
165 2HZ LYS 25 2HZ LYS 25 3.134 7.062 -5.848
166 3HZ LYS 25 3HZ LYS 25 3.594 8.036 -7.152
Start of MODEL 14
1 1H ALA 1 1HT ALA 1 -2.298 4.574 2.668
2 2H ALA 1 2HT ALA 1 -0.674 4.062 2.878
3 3H ALA 1 3HT ALA 1 -1.426 5.046 4.066
4 HA ALA 1 HA ALA 1 -1.182 2.563 4.464
5 1HB ALA 1 1HB ALA 1 -2.362 3.570 6.120
6 2HB ALA 1 2HB ALA 1 -3.689 2.687 5.368
7 3HB ALA 1 3HB ALA 1 -3.447 4.395 5.001
8 H VAL 2 H VAL 2 -1.635 0.634 3.763
9 HA VAL 2 HA VAL 2 -2.747 0.130 1.269
10 HB VAL 2 HB VAL 2 -1.197 -1.319 2.685
11 1HG1 VAL 2 1HG1 VAL 2 -3.088 -1.352 4.532
12 2HG1 VAL 2 2HG1 VAL 2 -1.985 -2.709 4.312
13 3HG1 VAL 2 3HG1 VAL 2 -3.609 -2.774 3.629
14 1HG2 VAL 2 1HG2 VAL 2 -2.210 -3.453 1.690
15 2HG2 VAL 2 2HG2 VAL 2 -1.793 -2.148 0.579
16 3HG2 VAL 2 3HG2 VAL 2 -3.473 -2.400 1.052
17 H SER 3 H SER 3 -4.293 0.578 4.319
18 HA SER 3 HA SER 3 -6.688 -0.855 3.766
19 1HB SER 3 2HB SER 3 -6.556 1.502 5.628
20 2HB SER 3 1HB SER 3 -7.511 0.027 5.776
21 HG SER 3 HG SER 3 -5.495 -1.089 6.091
22 H ALA 4 H ALA 4 -5.620 2.458 3.254
23 HA ALA 4 HA ALA 4 -8.197 3.082 1.987
24 1HB ALA 4 1HB ALA 4 -6.159 4.708 3.394
25 2HB ALA 4 2HB ALA 4 -7.919 4.812 3.432
26 3HB ALA 4 3HB ALA 4 -7.026 5.470 2.061
27 H CYS 5 H CYS 5 -5.713 1.605 0.903
28 HA CYS 5 HA CYS 5 -4.486 3.172 -1.067
29 1HB CYS 5 2HB CYS 5 -3.594 1.004 -0.427
30 2HB CYS 5 1HB CYS 5 -5.039 0.201 -1.024
31 H ALA 6 H ALA 6 -4.966 3.654 -3.155
32 HA ALA 6 HA ALA 6 -7.751 3.386 -3.933
33 1HB ALA 6 1HB ALA 6 -5.699 4.715 -5.646
34 2HB ALA 6 2HB ALA 6 -6.216 5.491 -4.149
35 3HB ALA 6 3HB ALA 6 -7.398 5.122 -5.405
36 H LEU 7 H LEU 7 -4.592 2.199 -4.885
37 HA LEU 7 HA LEU 7 -5.802 0.708 -7.099
38 1HB LEU 7 2HB LEU 7 -3.543 0.385 -7.906
39 2HB LEU 7 1HB LEU 7 -3.870 2.086 -7.667
40 HG LEU 7 HG LEU 7 -2.715 1.151 -5.267
41 1HD1 LEU 7 1HD1 LEU 7 -1.262 0.183 -7.720
42 2HD1 LEU 7 2HD1 LEU 7 -1.858 -0.790 -6.374
43 3HD1 LEU 7 3HD1 LEU 7 -0.527 0.340 -6.125
44 1HD2 LEU 7 1HD2 LEU 7 -0.778 2.598 -6.165
45 2HD2 LEU 7 2HD2 LEU 7 -2.342 3.360 -5.877
46 3HD2 LEU 7 3HD2 LEU 7 -1.860 2.930 -7.518
47 H SER 8 H SER 8 -6.702 -1.051 -6.107
48 HA SER 8 HA SER 8 -5.852 -2.496 -3.961
49 1HB SER 8 2HB SER 8 -7.884 -2.777 -5.709
50 2HB SER 8 1HB SER 8 -6.869 -4.127 -6.217
51 HG SER 8 HG SER 8 -8.399 -4.646 -4.538
52 H LYS 9 H LYS 9 -4.885 -4.688 -3.862
53 HA LYS 9 HA LYS 9 -3.122 -6.099 -4.127
54 1HB LYS 9 2HB LYS 9 -3.270 -5.181 -7.004
55 2HB LYS 9 1HB LYS 9 -2.345 -6.561 -6.426
56 1HG LYS 9 2HG LYS 9 -5.336 -6.280 -6.216
57 2HG LYS 9 1HG LYS 9 -4.484 -7.199 -7.459
58 1HD LYS 9 2HD LYS 9 -4.920 -8.880 -5.973
59 2HD LYS 9 1HD LYS 9 -3.365 -8.330 -5.346
60 1HE LYS 9 2HE LYS 9 -4.471 -8.232 -3.389
61 2HE LYS 9 1HE LYS 9 -5.044 -6.686 -4.014
62 1HZ LYS 9 1HZ LYS 9 -6.470 -9.281 -4.254
63 2HZ LYS 9 2HZ LYS 9 -7.023 -7.794 -4.843
64 3HZ LYS 9 3HZ LYS 9 -6.863 -8.036 -3.177
65 H CYS 10 H CYS 10 -1.678 -4.985 -2.828
66 HA CYS 10 HA CYS 10 0.426 -3.561 -4.290
67 1HB CYS 10 2HB CYS 10 -1.263 -2.501 -2.104
68 2HB CYS 10 1HB CYS 10 0.462 -2.173 -1.971
69 H ALA 11 H ALA 11 -0.144 -6.221 -2.699
70 HA ALA 11 HA ALA 11 2.462 -6.814 -2.005
71 1HB ALA 11 1HB ALA 11 2.531 -5.296 -0.237
72 2HB ALA 11 2HB ALA 11 2.170 -6.833 0.549
73 3HB ALA 11 3HB ALA 11 0.881 -5.662 0.268
74 H ALA 12 H ALA 12 -0.911 -7.272 -1.062
75 HA ALA 12 HA ALA 12 -2.178 -9.138 -0.773
76 1HB ALA 12 1HB ALA 12 -0.774 -9.627 -3.003
77 2HB ALA 12 2HB ALA 12 -1.925 -10.773 -2.317
78 3HB ALA 12 3HB ALA 12 -0.201 -10.959 -1.999
79 H ALA 13 H ALA 13 -0.099 -8.386 1.186
80 HA ALA 13 HA ALA 13 -0.250 -10.774 2.796
81 1HB ALA 13 1HB ALA 13 2.454 -9.684 2.025
82 2HB ALA 13 2HB ALA 13 1.772 -11.228 1.513
83 3HB ALA 13 3HB ALA 13 2.152 -10.951 3.213
84 H ALA 14 H ALA 14 -1.123 -7.934 2.828
85 HA ALA 14 HA ALA 14 -1.426 -6.272 4.351
86 1HB ALA 14 1HB ALA 14 -1.503 -6.859 6.563
87 2HB ALA 14 2HB ALA 14 -0.017 -7.805 6.478
88 3HB ALA 14 3HB ALA 14 -1.516 -8.456 5.815
89 H ASN 15 H ASN 15 1.013 -6.379 2.759
90 HA ASN 15 HA ASN 15 3.068 -5.272 4.498
91 1HB ASN 15 2HB ASN 15 3.272 -6.811 2.294
92 2HB ASN 15 1HB ASN 15 3.424 -5.220 1.555
93 1HD2 ASN 15 1HD2 ASN 15 5.545 -6.591 1.197
94 2HD2 ASN 15 2HD2 ASN 15 6.823 -6.196 2.292
95 H VAL 16 H VAL 16 1.733 -3.437 5.119
96 HA VAL 16 HA VAL 16 0.799 -1.506 3.314
97 HB VAL 16 HB VAL 16 1.713 -1.020 6.150
98 1HG1 VAL 16 1HG1 VAL 16 -0.421 0.601 5.724
99 2HG1 VAL 16 2HG1 VAL 16 0.328 0.597 4.128
100 3HG1 VAL 16 3HG1 VAL 16 1.262 1.097 5.538
101 1HG2 VAL 16 1HG2 VAL 16 -0.153 -2.851 5.431
102 2HG2 VAL 16 2HG2 VAL 16 -1.148 -1.407 5.612
103 3HG2 VAL 16 3HG2 VAL 16 -0.159 -1.969 6.958
104 H ALA 17 H ALA 17 3.891 -1.762 5.039
105 HA ALA 17 HA ALA 17 4.971 0.688 4.282
106 1HB ALA 17 1HB ALA 17 7.211 -0.607 4.476
107 2HB ALA 17 2HB ALA 17 6.194 -1.947 5.006
108 3HB ALA 17 3HB ALA 17 6.193 -0.431 5.907
109 H ALA 18 H ALA 18 4.999 -2.423 2.594
110 HA ALA 18 HA ALA 18 6.619 -1.599 0.427
111 1HB ALA 18 1HB ALA 18 6.135 -3.637 -0.537
112 2HB ALA 18 2HB ALA 18 4.479 -3.651 0.069
113 3HB ALA 18 3HB ALA 18 5.820 -3.984 1.162
114 H HIS 19 H HIS 19 3.277 -1.209 1.223
115 HA HIS 19 HA HIS 19 2.402 -0.428 -1.389
116 1HB HIS 19 2HB HIS 19 0.603 -1.218 -0.232
117 2HB HIS 19 1HB HIS 19 1.227 -0.682 1.320
118 HD2 HIS 19 2HD HIS 19 0.268 1.675 2.237
119 HE1 HIS 19 1HE HIS 19 -2.144 2.558 -1.108
120 HE2 HIS 19 2HE HIS 19 -1.458 3.299 1.213
121 H MET 20 H MET 20 2.766 1.381 1.685
122 HA MET 20 HA MET 20 2.340 3.901 0.552
123 1HB MET 20 2HB MET 20 2.373 3.253 3.012
124 2HB MET 20 1HB MET 20 4.119 3.430 2.924
125 1HG MET 20 2HG MET 20 3.296 5.765 1.821
126 2HG MET 20 1HG MET 20 2.014 5.463 2.994
127 1HE MET 20 1HE MET 20 3.278 7.444 5.616
128 2HE MET 20 2HE MET 20 2.708 5.816 5.979
129 3HE MET 20 3HE MET 20 1.982 6.729 4.658
130 H THR 21 H THR 21 5.181 1.907 0.621
131 HA THR 21 HA THR 21 7.203 3.744 0.215
132 HB THR 21 HB THR 21 7.216 1.122 0.311
133 HG1 THR 21 1HG THR 21 9.241 1.572 0.189
134 1HG2 THR 21 1HG2 THR 21 7.169 -0.099 -1.576
135 2HG2 THR 21 2HG2 THR 21 7.783 1.216 -2.577
136 3HG2 THR 21 3HG2 THR 21 6.085 1.190 -2.100
137 H HIS 22 H HIS 22 4.604 2.812 -1.840
138 HA HIS 22 HA HIS 22 5.528 4.713 -3.876
139 1HB HIS 22 2HB HIS 22 4.562 3.180 -5.613
140 2HB HIS 22 1HB HIS 22 5.988 2.543 -4.798
141 HD1 HIS 22 1HD HIS 22 5.705 0.125 -4.371
142 HD2 HIS 22 2HD HIS 22 2.135 2.201 -3.948
143 HE1 HIS 22 1HE HIS 22 4.007 -1.590 -3.658
144 HE2 HIS 22 2HE HIS 22 1.900 -0.279 -3.268
145 H CYS 23 H CYS 23 3.085 3.846 -1.726
146 HA CYS 23 HA CYS 23 1.053 5.199 -3.370
147 1HB CYS 23 2HB CYS 23 0.877 2.988 -1.366
148 2HB CYS 23 1HB CYS 23 -0.448 4.138 -1.446
149 H ALA 24 H ALA 24 2.582 7.025 -2.439
150 HA ALA 24 HA ALA 24 1.255 8.043 -0.012
151 1HB ALA 24 1HB ALA 24 3.400 7.540 0.758
152 2HB ALA 24 2HB ALA 24 3.476 9.263 0.391
153 3HB ALA 24 3HB ALA 24 4.166 8.092 -0.732
154 H LYS 25 H LYS 25 -0.129 8.878 -1.881
155 HA LYS 25 HA LYS 25 0.667 11.621 -2.387
156 1HB LYS 25 2HB LYS 25 0.176 11.482 -4.803
157 2HB LYS 25 1HB LYS 25 1.566 10.508 -4.346
158 1HG LYS 25 2HG LYS 25 -1.047 9.135 -4.369
159 2HG LYS 25 1HG LYS 25 -0.396 9.627 -5.934
160 1HD LYS 25 2HD LYS 25 1.494 8.307 -4.085
161 2HD LYS 25 1HD LYS 25 0.207 7.293 -4.741
162 1HE LYS 25 2HE LYS 25 1.036 7.371 -6.845
163 2HE LYS 25 1HE LYS 25 1.592 9.036 -6.676
164 1HZ LYS 25 1HZ LYS 25 3.594 8.384 -5.876
165 2HZ LYS 25 2HZ LYS 25 3.254 7.007 -6.798
166 3HZ LYS 25 3HZ LYS 25 2.990 6.992 -5.128
Start of MODEL 15
1 1H ALA 1 1HT ALA 1 -1.651 5.009 3.795
2 2H ALA 1 2HT ALA 1 -2.507 4.436 2.422
3 3H ALA 1 3HT ALA 1 -0.865 3.997 2.656
4 HA ALA 1 HA ALA 1 -1.320 2.563 4.320
5 1HB ALA 1 1HB ALA 1 -2.550 3.602 5.918
6 2HB ALA 1 2HB ALA 1 -3.838 2.635 5.202
7 3HB ALA 1 3HB ALA 1 -3.656 4.330 4.752
8 H VAL 2 H VAL 2 -1.672 0.592 3.701
9 HA VAL 2 HA VAL 2 -2.730 -0.099 1.238
10 HB VAL 2 HB VAL 2 -1.166 -1.409 2.747
11 1HG1 VAL 2 1HG1 VAL 2 -2.866 -1.369 4.663
12 2HG1 VAL 2 2HG1 VAL 2 -1.996 -2.874 4.368
13 3HG1 VAL 2 3HG1 VAL 2 -3.660 -2.694 3.812
14 1HG2 VAL 2 1HG2 VAL 2 -3.395 -2.639 1.163
15 2HG2 VAL 2 2HG2 VAL 2 -2.154 -3.644 1.916
16 3HG2 VAL 2 3HG2 VAL 2 -1.700 -2.427 0.722
17 H SER 3 H SER 3 -4.349 0.436 4.243
18 HA SER 3 HA SER 3 -6.705 -1.066 3.661
19 1HB SER 3 2HB SER 3 -5.753 -0.024 5.939
20 2HB SER 3 1HB SER 3 -6.850 1.280 5.488
21 HG SER 3 HG SER 3 -7.643 -1.436 5.559
22 H ALA 4 H ALA 4 -5.614 2.202 3.072
23 HA ALA 4 HA ALA 4 -8.159 2.789 1.709
24 1HB ALA 4 1HB ALA 4 -6.138 4.793 2.700
25 2HB ALA 4 2HB ALA 4 -7.552 4.277 3.618
26 3HB ALA 4 3HB ALA 4 -7.757 5.119 2.082
27 H CYS 5 H CYS 5 -5.665 1.362 0.741
28 HA CYS 5 HA CYS 5 -4.116 2.828 -0.983
29 1HB CYS 5 2HB CYS 5 -3.698 0.480 -0.619
30 2HB CYS 5 1HB CYS 5 -5.240 0.046 -1.345
31 H ALA 6 H ALA 6 -4.388 3.889 -2.840
32 HA ALA 6 HA ALA 6 -7.014 4.384 -3.823
33 1HB ALA 6 1HB ALA 6 -4.283 5.207 -4.772
34 2HB ALA 6 2HB ALA 6 -5.494 6.181 -3.938
35 3HB ALA 6 3HB ALA 6 -5.763 5.678 -5.606
36 H LEU 7 H LEU 7 -4.361 2.323 -4.856
37 HA LEU 7 HA LEU 7 -5.888 1.549 -7.230
38 1HB LEU 7 2HB LEU 7 -3.782 0.396 -7.903
39 2HB LEU 7 1HB LEU 7 -3.659 2.137 -7.780
40 HG LEU 7 HG LEU 7 -2.790 1.502 -5.335
41 1HD1 LEU 7 1HD1 LEU 7 -2.702 -0.988 -6.863
42 2HD1 LEU 7 2HD1 LEU 7 -2.603 -0.716 -5.124
43 3HD1 LEU 7 3HD1 LEU 7 -1.164 -0.540 -6.126
44 1HD2 LEU 7 1HD2 LEU 7 -1.072 1.350 -7.807
45 2HD2 LEU 7 2HD2 LEU 7 -0.541 1.763 -6.177
46 3HD2 LEU 7 3HD2 LEU 7 -1.628 2.842 -7.050
47 H SER 8 H SER 8 -5.233 -0.934 -7.763
48 HA SER 8 HA SER 8 -6.827 -2.504 -6.159
49 1HB SER 8 2HB SER 8 -6.141 -3.069 -8.477
50 2HB SER 8 1HB SER 8 -4.533 -3.473 -7.876
51 HG SER 8 HG SER 8 -6.731 -4.993 -7.922
52 H LYS 9 H LYS 9 -5.611 -4.818 -5.479
53 HA LYS 9 HA LYS 9 -4.661 -4.389 -2.923
54 1HB LYS 9 2HB LYS 9 -4.527 -6.696 -4.815
55 2HB LYS 9 1HB LYS 9 -3.596 -6.773 -3.325
56 1HG LYS 9 2HG LYS 9 -5.902 -6.066 -2.257
57 2HG LYS 9 1HG LYS 9 -6.536 -6.797 -3.733
58 1HD LYS 9 2HD LYS 9 -5.246 -8.847 -3.220
59 2HD LYS 9 1HD LYS 9 -4.731 -8.111 -1.702
60 1HE LYS 9 2HE LYS 9 -6.627 -9.633 -1.382
61 2HE LYS 9 1HE LYS 9 -7.039 -7.972 -0.959
62 1HZ LYS 9 1HZ LYS 9 -7.600 -8.914 -3.681
63 2HZ LYS 9 2HZ LYS 9 -8.416 -7.759 -2.753
64 3HZ LYS 9 3HZ LYS 9 -8.625 -9.406 -2.428
65 H CYS 10 H CYS 10 -2.586 -4.612 -1.963
66 HA CYS 10 HA CYS 10 -0.299 -4.229 -3.764
67 1HB CYS 10 2HB CYS 10 -1.274 -2.393 -1.632
68 2HB CYS 10 1HB CYS 10 0.466 -2.592 -1.801
69 H ALA 11 H ALA 11 1.498 -5.316 -3.186
70 HA ALA 11 HA ALA 11 2.979 -6.552 -1.960
71 1HB ALA 11 1HB ALA 11 2.372 -4.895 -0.118
72 2HB ALA 11 2HB ALA 11 3.034 -6.451 0.380
73 3HB ALA 11 3HB ALA 11 1.300 -6.153 0.496
74 H ALA 12 H ALA 12 -0.320 -7.159 -0.722
75 HA ALA 12 HA ALA 12 -1.614 -9.043 -0.794
76 1HB ALA 12 1HB ALA 12 -0.107 -9.391 -3.006
77 2HB ALA 12 2HB ALA 12 -1.318 -10.546 -2.447
78 3HB ALA 12 3HB ALA 12 0.384 -10.797 -2.060
79 H ALA 13 H ALA 13 0.291 -8.371 1.291
80 HA ALA 13 HA ALA 13 0.177 -10.841 2.753
81 1HB ALA 13 1HB ALA 13 2.728 -9.885 1.607
82 2HB ALA 13 2HB ALA 13 2.206 -11.520 2.015
83 3HB ALA 13 3HB ALA 13 2.770 -10.432 3.283
84 H ALA 14 H ALA 14 -0.815 -8.084 2.921
85 HA ALA 14 HA ALA 14 -1.221 -6.504 4.504
86 1HB ALA 14 1HB ALA 14 -1.059 -7.111 6.786
87 2HB ALA 14 2HB ALA 14 0.214 -8.287 6.458
88 3HB ALA 14 3HB ALA 14 -1.433 -8.594 5.908
89 H ASN 15 H ASN 15 1.238 -6.418 2.946
90 HA ASN 15 HA ASN 15 3.165 -5.216 4.782
91 1HB ASN 15 2HB ASN 15 3.606 -6.814 2.678
92 2HB ASN 15 1HB ASN 15 3.665 -5.261 1.852
93 1HD2 ASN 15 1HD2 ASN 15 5.612 -7.473 2.943
94 2HD2 ASN 15 2HD2 ASN 15 6.916 -6.526 3.567
95 H VAL 16 H VAL 16 1.713 -3.430 5.266
96 HA VAL 16 HA VAL 16 0.758 -1.609 3.376
97 HB VAL 16 HB VAL 16 1.607 -0.969 6.203
98 1HG1 VAL 16 1HG1 VAL 16 1.038 1.101 5.582
99 2HG1 VAL 16 2HG1 VAL 16 -0.626 0.516 5.604
100 3HG1 VAL 16 3HG1 VAL 16 0.280 0.541 4.091
101 1HG2 VAL 16 1HG2 VAL 16 -0.132 -2.114 6.995
102 2HG2 VAL 16 2HG2 VAL 16 -0.283 -2.843 5.398
103 3HG2 VAL 16 3HG2 VAL 16 -1.225 -1.409 5.804
104 H ALA 17 H ALA 17 3.828 -1.655 5.160
105 HA ALA 17 HA ALA 17 4.819 0.803 4.319
106 1HB ALA 17 1HB ALA 17 5.820 -0.722 6.058
107 2HB ALA 17 2HB ALA 17 6.976 0.031 4.959
108 3HB ALA 17 3HB ALA 17 6.511 -1.656 4.731
109 H ALA 18 H ALA 18 5.001 -2.369 2.754
110 HA ALA 18 HA ALA 18 6.621 -1.578 0.581
111 1HB ALA 18 1HB ALA 18 6.070 -3.636 -0.413
112 2HB ALA 18 2HB ALA 18 4.519 -3.722 0.422
113 3HB ALA 18 3HB ALA 18 6.019 -3.949 1.322
114 H HIS 19 H HIS 19 3.237 -1.298 1.284
115 HA HIS 19 HA HIS 19 2.397 -0.613 -1.360
116 1HB HIS 19 2HB HIS 19 0.596 -1.406 -0.204
117 2HB HIS 19 1HB HIS 19 1.179 -0.797 1.335
118 HD2 HIS 19 2HD HIS 19 0.147 1.567 2.147
119 HE1 HIS 19 1HE HIS 19 -2.239 2.254 -1.260
120 HE2 HIS 19 2HE HIS 19 -1.610 3.101 1.040
121 H MET 20 H MET 20 2.655 1.315 1.649
122 HA MET 20 HA MET 20 2.192 3.778 0.411
123 1HB MET 20 2HB MET 20 2.190 3.214 2.897
124 2HB MET 20 1HB MET 20 3.930 3.459 2.837
125 1HG MET 20 2HG MET 20 3.027 5.712 1.625
126 2HG MET 20 1HG MET 20 1.744 5.404 2.793
127 1HE MET 20 1HE MET 20 2.830 7.867 4.828
128 2HE MET 20 2HE MET 20 2.558 6.438 5.825
129 3HE MET 20 3HE MET 20 1.607 6.686 4.360
130 H THR 21 H THR 21 5.086 1.869 0.634
131 HA THR 21 HA THR 21 7.059 3.754 0.196
132 HB THR 21 HB THR 21 7.144 1.132 0.407
133 HG1 THR 21 1HG THR 21 9.264 1.224 -0.340
134 1HG2 THR 21 1HG2 THR 21 7.204 -0.158 -1.430
135 2HG2 THR 21 2HG2 THR 21 7.848 1.129 -2.449
136 3HG2 THR 21 3HG2 THR 21 6.127 1.088 -2.062
137 H HIS 22 H HIS 22 4.541 2.649 -1.875
138 HA HIS 22 HA HIS 22 5.467 4.477 -3.975
139 1HB HIS 22 2HB HIS 22 4.605 2.838 -5.665
140 2HB HIS 22 1HB HIS 22 6.019 2.278 -4.772
141 HD1 HIS 22 1HD HIS 22 5.780 -0.128 -4.257
142 HD2 HIS 22 2HD HIS 22 2.153 1.875 -4.022
143 HE1 HIS 22 1HE HIS 22 4.103 -1.853 -3.518
144 HE2 HIS 22 2HE HIS 22 1.946 -0.586 -3.269
145 H CYS 23 H CYS 23 2.996 3.663 -1.844
146 HA CYS 23 HA CYS 23 0.970 4.858 -3.614
147 1HB CYS 23 2HB CYS 23 0.798 2.753 -1.497
148 2HB CYS 23 1HB CYS 23 -0.560 3.848 -1.694
149 H ALA 24 H ALA 24 0.641 6.930 -3.204
150 HA ALA 24 HA ALA 24 0.013 7.843 -0.564
151 1HB ALA 24 1HB ALA 24 2.652 8.549 -1.791
152 2HB ALA 24 2HB ALA 24 2.289 8.042 -0.141
153 3HB ALA 24 3HB ALA 24 1.843 9.660 -0.686
154 H LYS 25 H LYS 25 -1.308 7.777 -3.086
155 HA LYS 25 HA LYS 25 -2.008 10.582 -3.293
156 1HB LYS 25 2HB LYS 25 -1.848 10.551 -5.785
157 2HB LYS 25 1HB LYS 25 -0.292 10.485 -4.969
158 1HG LYS 25 2HG LYS 25 -0.748 7.861 -5.258
159 2HG LYS 25 1HG LYS 25 -1.638 8.475 -6.654
160 1HD LYS 25 2HD LYS 25 0.532 9.870 -7.062
161 2HD LYS 25 1HD LYS 25 1.282 8.645 -6.038
162 1HE LYS 25 2HE LYS 25 -0.132 7.080 -7.726
163 2HE LYS 25 1HE LYS 25 0.231 8.442 -8.783
164 1HZ LYS 25 1HZ LYS 25 2.116 7.285 -9.114
165 2HZ LYS 25 2HZ LYS 25 2.015 6.452 -7.645
166 3HZ LYS 25 3HZ LYS 25 2.612 8.034 -7.680
Start of MODEL 16
1 1H ALA 1 1HT ALA 1 -1.402 4.711 4.115
2 2H ALA 1 2HT ALA 1 -2.367 4.321 2.751
3 3H ALA 1 3HT ALA 1 -0.735 3.794 2.829
4 HA ALA 1 HA ALA 1 -1.155 2.233 4.401
5 1HB ALA 1 1HB ALA 1 -2.310 3.153 6.124
6 2HB ALA 1 2HB ALA 1 -3.641 2.278 5.368
7 3HB ALA 1 3HB ALA 1 -3.435 4.004 5.065
8 H VAL 2 H VAL 2 -1.546 0.348 3.586
9 HA VAL 2 HA VAL 2 -2.669 -0.113 1.116
10 HB VAL 2 HB VAL 2 -1.149 -1.598 2.485
11 1HG1 VAL 2 1HG1 VAL 2 -2.635 -1.663 4.484
12 2HG1 VAL 2 2HG1 VAL 2 -2.106 -3.251 3.929
13 3HG1 VAL 2 3HG1 VAL 2 -3.739 -2.692 3.572
14 1HG2 VAL 2 1HG2 VAL 2 -3.480 -2.678 0.923
15 2HG2 VAL 2 2HG2 VAL 2 -2.180 -3.720 1.506
16 3HG2 VAL 2 3HG2 VAL 2 -1.822 -2.407 0.383
17 H SER 3 H SER 3 -4.253 0.200 4.181
18 HA SER 3 HA SER 3 -6.667 -1.146 3.491
19 1HB SER 3 2HB SER 3 -5.668 -0.320 5.836
20 2HB SER 3 1HB SER 3 -6.719 1.055 5.495
21 HG SER 3 HG SER 3 -7.510 -1.672 5.547
22 H ALA 4 H ALA 4 -5.460 2.119 3.147
23 HA ALA 4 HA ALA 4 -8.006 2.928 1.911
24 1HB ALA 4 1HB ALA 4 -5.878 4.890 2.643
25 2HB ALA 4 2HB ALA 4 -6.908 4.210 3.902
26 3HB ALA 4 3HB ALA 4 -7.627 5.104 2.563
27 H CYS 5 H CYS 5 -5.579 1.424 0.781
28 HA CYS 5 HA CYS 5 -4.131 2.958 -1.006
29 1HB CYS 5 2HB CYS 5 -3.633 0.616 -0.622
30 2HB CYS 5 1HB CYS 5 -5.169 0.139 -1.333
31 H ALA 6 H ALA 6 -4.475 3.858 -2.956
32 HA ALA 6 HA ALA 6 -7.189 4.273 -3.784
33 1HB ALA 6 1HB ALA 6 -4.527 5.265 -4.717
34 2HB ALA 6 2HB ALA 6 -5.888 6.168 -4.051
35 3HB ALA 6 3HB ALA 6 -5.971 5.530 -5.693
36 H LEU 7 H LEU 7 -4.482 2.324 -4.896
37 HA LEU 7 HA LEU 7 -6.077 1.439 -7.189
38 1HB LEU 7 2HB LEU 7 -3.957 0.432 -7.984
39 2HB LEU 7 1HB LEU 7 -3.906 2.175 -7.833
40 HG LEU 7 HG LEU 7 -2.934 0.602 -5.520
41 1HD1 LEU 7 1HD1 LEU 7 -2.015 -0.603 -7.473
42 2HD1 LEU 7 2HD1 LEU 7 -0.775 0.191 -6.502
43 3HD1 LEU 7 3HD1 LEU 7 -1.294 0.907 -8.028
44 1HD2 LEU 7 1HD2 LEU 7 -2.552 2.775 -5.062
45 2HD2 LEU 7 2HD2 LEU 7 -2.535 3.241 -6.762
46 3HD2 LEU 7 3HD2 LEU 7 -1.103 2.510 -6.034
47 H SER 8 H SER 8 -5.372 -0.995 -7.744
48 HA SER 8 HA SER 8 -6.728 -2.630 -5.985
49 1HB SER 8 2HB SER 8 -5.811 -2.961 -8.482
50 2HB SER 8 1HB SER 8 -4.596 -3.900 -7.616
51 HG SER 8 HG SER 8 -7.300 -4.392 -7.983
52 H LYS 9 H LYS 9 -5.345 -4.877 -5.422
53 HA LYS 9 HA LYS 9 -4.142 -4.374 -2.987
54 1HB LYS 9 2HB LYS 9 -3.849 -6.721 -4.859
55 2HB LYS 9 1HB LYS 9 -3.160 -6.698 -3.242
56 1HG LYS 9 2HG LYS 9 -5.164 -6.968 -2.234
57 2HG LYS 9 1HG LYS 9 -6.031 -6.041 -3.460
58 1HD LYS 9 2HD LYS 9 -6.445 -7.862 -4.727
59 2HD LYS 9 1HD LYS 9 -4.871 -8.584 -4.384
60 1HE LYS 9 2HE LYS 9 -5.605 -9.544 -2.398
61 2HE LYS 9 1HE LYS 9 -6.980 -8.448 -2.265
62 1HZ LYS 9 1HZ LYS 9 -7.187 -10.953 -3.114
63 2HZ LYS 9 2HZ LYS 9 -6.949 -10.179 -4.599
64 3HZ LYS 9 3HZ LYS 9 -8.239 -9.723 -3.606
65 H CYS 10 H CYS 10 -2.060 -4.142 -2.256
66 HA CYS 10 HA CYS 10 0.000 -3.723 -4.322
67 1HB CYS 10 2HB CYS 10 -0.737 -2.109 -1.920
68 2HB CYS 10 1HB CYS 10 0.951 -2.151 -2.418
69 H ALA 11 H ALA 11 -0.713 -6.106 -2.613
70 HA ALA 11 HA ALA 11 1.862 -7.067 -2.147
71 1HB ALA 11 1HB ALA 11 2.388 -6.651 0.001
72 2HB ALA 11 2HB ALA 11 0.715 -6.781 0.546
73 3HB ALA 11 3HB ALA 11 1.290 -5.284 -0.189
74 H ALA 12 H ALA 12 1.532 -8.890 -0.149
75 HA ALA 12 HA ALA 12 -1.001 -10.265 -0.635
76 1HB ALA 12 1HB ALA 12 1.666 -11.195 -1.537
77 2HB ALA 12 2HB ALA 12 0.077 -11.430 -2.264
78 3HB ALA 12 3HB ALA 12 0.563 -12.399 -0.873
79 H ALA 13 H ALA 13 0.292 -8.921 1.660
80 HA ALA 13 HA ALA 13 -0.344 -10.842 3.648
81 1HB ALA 13 1HB ALA 13 1.841 -11.741 3.069
82 2HB ALA 13 2HB ALA 13 1.861 -11.056 4.694
83 3HB ALA 13 3HB ALA 13 2.580 -10.165 3.353
84 H ALA 14 H ALA 14 -0.999 -8.110 2.919
85 HA ALA 14 HA ALA 14 -1.482 -6.138 3.941
86 1HB ALA 14 1HB ALA 14 -1.537 -6.056 6.357
87 2HB ALA 14 2HB ALA 14 -0.531 -7.501 6.457
88 3HB ALA 14 3HB ALA 14 -2.164 -7.607 5.800
89 H ASN 15 H ASN 15 1.072 -6.462 2.724
90 HA ASN 15 HA ASN 15 3.048 -5.243 4.434
91 1HB ASN 15 2HB ASN 15 3.019 -6.577 1.889
92 2HB ASN 15 1HB ASN 15 3.838 -5.028 1.719
93 1HD2 ASN 15 1HD2 ASN 15 5.393 -4.571 3.599
94 2HD2 ASN 15 2HD2 ASN 15 6.435 -5.879 4.035
95 H VAL 16 H VAL 16 1.725 -3.386 5.010
96 HA VAL 16 HA VAL 16 0.831 -1.470 3.174
97 HB VAL 16 HB VAL 16 1.737 -0.947 6.006
98 1HG1 VAL 16 1HG1 VAL 16 1.260 1.158 5.399
99 2HG1 VAL 16 2HG1 VAL 16 -0.424 0.649 5.516
100 3HG1 VAL 16 3HG1 VAL 16 0.391 0.646 3.952
101 1HG2 VAL 16 1HG2 VAL 16 0.159 -2.442 6.559
102 2HG2 VAL 16 2HG2 VAL 16 -0.557 -2.428 4.948
103 3HG2 VAL 16 3HG2 VAL 16 -0.980 -1.173 6.111
104 H ALA 17 H ALA 17 3.906 -1.730 4.931
105 HA ALA 17 HA ALA 17 5.018 0.700 4.178
106 1HB ALA 17 1HB ALA 17 5.879 -1.315 5.708
107 2HB ALA 17 2HB ALA 17 6.956 -0.070 5.077
108 3HB ALA 17 3HB ALA 17 6.842 -1.631 4.265
109 H ALA 18 H ALA 18 5.030 -2.401 2.466
110 HA ALA 18 HA ALA 18 6.655 -1.545 0.307
111 1HB ALA 18 1HB ALA 18 6.169 -3.579 -0.695
112 2HB ALA 18 2HB ALA 18 4.545 -3.644 -0.012
113 3HB ALA 18 3HB ALA 18 5.947 -3.945 1.015
114 H HIS 19 H HIS 19 3.324 -1.179 1.115
115 HA HIS 19 HA HIS 19 2.449 -0.392 -1.507
116 1HB HIS 19 2HB HIS 19 0.664 -1.281 -0.400
117 2HB HIS 19 1HB HIS 19 1.247 -0.774 1.174
118 HD2 HIS 19 2HD HIS 19 0.170 1.494 2.163
119 HE1 HIS 19 1HE HIS 19 -2.223 2.409 -1.183
120 HE2 HIS 19 2HE HIS 19 -1.609 3.083 1.176
121 H MET 20 H MET 20 2.743 1.327 1.621
122 HA MET 20 HA MET 20 2.223 3.868 0.572
123 1HB MET 20 2HB MET 20 2.283 3.132 3.011
124 2HB MET 20 1HB MET 20 4.019 3.392 2.929
125 1HG MET 20 2HG MET 20 3.082 5.721 1.903
126 2HG MET 20 1HG MET 20 1.824 5.322 3.072
127 1HE MET 20 1HE MET 20 2.362 4.672 5.574
128 2HE MET 20 2HE MET 20 3.892 5.001 6.387
129 3HE MET 20 3HE MET 20 3.773 3.668 5.239
130 H THR 21 H THR 21 5.128 1.970 0.562
131 HA THR 21 HA THR 21 7.092 3.884 0.235
132 HB THR 21 HB THR 21 7.196 1.268 0.214
133 HG1 THR 21 1HG THR 21 8.954 2.780 -1.412
134 1HG2 THR 21 1HG2 THR 21 7.717 1.489 -2.675
135 2HG2 THR 21 2HG2 THR 21 6.026 1.400 -2.178
136 3HG2 THR 21 3HG2 THR 21 7.150 0.120 -1.718
137 H HIS 22 H HIS 22 4.520 2.958 -1.861
138 HA HIS 22 HA HIS 22 5.374 4.982 -3.807
139 1HB HIS 22 2HB HIS 22 4.428 3.493 -5.605
140 2HB HIS 22 1HB HIS 22 5.898 2.887 -4.844
141 HD1 HIS 22 1HD HIS 22 5.743 0.451 -4.467
142 HD2 HIS 22 2HD HIS 22 2.070 2.325 -3.996
143 HE1 HIS 22 1HE HIS 22 4.136 -1.370 -3.810
144 HE2 HIS 22 2HE HIS 22 1.966 -0.180 -3.381
145 H CYS 23 H CYS 23 2.967 3.923 -1.699
146 HA CYS 23 HA CYS 23 0.887 5.301 -3.259
147 1HB CYS 23 2HB CYS 23 0.786 2.985 -1.367
148 2HB CYS 23 1HB CYS 23 -0.581 4.085 -1.414
149 H ALA 24 H ALA 24 2.756 6.817 -1.880
150 HA ALA 24 HA ALA 24 1.364 7.691 0.552
151 1HB ALA 24 1HB ALA 24 3.937 7.166 0.354
152 2HB ALA 24 2HB ALA 24 3.351 8.493 1.357
153 3HB ALA 24 3HB ALA 24 3.998 8.820 -0.252
154 H LYS 25 H LYS 25 0.223 8.284 -1.979
155 HA LYS 25 HA LYS 25 0.125 11.176 -1.762
156 1HB LYS 25 2HB LYS 25 0.486 11.555 -4.152
157 2HB LYS 25 1HB LYS 25 1.903 10.827 -3.408
158 1HG LYS 25 2HG LYS 25 0.754 8.597 -4.229
159 2HG LYS 25 1HG LYS 25 0.005 9.697 -5.388
160 1HD LYS 25 2HD LYS 25 2.904 10.042 -5.021
161 2HD LYS 25 1HD LYS 25 2.414 8.509 -5.745
162 1HE LYS 25 2HE LYS 25 1.261 11.073 -6.759
163 2HE LYS 25 1HE LYS 25 2.879 10.581 -7.258
164 1HZ LYS 25 1HZ LYS 25 0.831 9.873 -8.648
165 2HZ LYS 25 2HZ LYS 25 0.651 8.673 -7.471
166 3HZ LYS 25 3HZ LYS 25 2.076 8.758 -8.377
Start of MODEL 17
1 1H ALA 1 1HT ALA 1 -1.426 4.657 4.189
2 2H ALA 1 2HT ALA 1 -2.360 4.239 2.811
3 3H ALA 1 3HT ALA 1 -0.710 3.776 2.905
4 HA ALA 1 HA ALA 1 -1.083 2.177 4.439
5 1HB ALA 1 1HB ALA 1 -2.245 3.060 6.183
6 2HB ALA 1 2HB ALA 1 -3.547 2.127 5.442
7 3HB ALA 1 3HB ALA 1 -3.421 3.861 5.141
8 H VAL 2 H VAL 2 -1.433 0.290 3.605
9 HA VAL 2 HA VAL 2 -2.584 -0.158 1.138
10 HB VAL 2 HB VAL 2 -0.985 -1.616 2.464
11 1HG1 VAL 2 1HG1 VAL 2 -2.406 -1.816 4.475
12 2HG1 VAL 2 2HG1 VAL 2 -1.906 -3.380 3.830
13 3HG1 VAL 2 3HG1 VAL 2 -3.544 -2.790 3.544
14 1HG2 VAL 2 1HG2 VAL 2 -1.574 -2.435 0.369
15 2HG2 VAL 2 2HG2 VAL 2 -3.261 -2.667 0.823
16 3HG2 VAL 2 3HG2 VAL 2 -2.022 -3.757 1.448
17 H SER 3 H SER 3 -4.104 0.032 4.244
18 HA SER 3 HA SER 3 -6.489 -1.377 3.563
19 1HB SER 3 2HB SER 3 -5.571 0.322 5.828
20 2HB SER 3 1HB SER 3 -7.312 0.156 5.601
21 HG SER 3 HG SER 3 -6.948 -2.149 5.606
22 H ALA 4 H ALA 4 -5.373 1.913 3.257
23 HA ALA 4 HA ALA 4 -7.995 2.709 2.186
24 1HB ALA 4 1HB ALA 4 -5.797 4.598 2.974
25 2HB ALA 4 2HB ALA 4 -6.975 3.987 4.134
26 3HB ALA 4 3HB ALA 4 -7.512 4.940 2.750
27 H CYS 5 H CYS 5 -5.531 1.311 0.909
28 HA CYS 5 HA CYS 5 -4.309 2.978 -0.944
29 1HB CYS 5 2HB CYS 5 -3.591 0.674 -0.566
30 2HB CYS 5 1HB CYS 5 -5.094 0.074 -1.256
31 H ALA 6 H ALA 6 -4.801 3.700 -2.974
32 HA ALA 6 HA ALA 6 -7.635 3.683 -3.659
33 1HB ALA 6 1HB ALA 6 -5.660 5.248 -5.230
34 2HB ALA 6 2HB ALA 6 -5.985 5.742 -3.568
35 3HB ALA 6 3HB ALA 6 -7.302 5.663 -4.739
36 H LEU 7 H LEU 7 -4.587 2.448 -4.828
37 HA LEU 7 HA LEU 7 -5.772 1.697 -7.378
38 1HB LEU 7 2HB LEU 7 -3.646 1.363 -8.172
39 2HB LEU 7 1HB LEU 7 -3.388 2.639 -7.006
40 HG LEU 7 HG LEU 7 -2.941 0.435 -5.471
41 1HD1 LEU 7 1HD1 LEU 7 -2.393 -0.268 -8.306
42 2HD1 LEU 7 2HD1 LEU 7 -2.940 -1.284 -6.972
43 3HD1 LEU 7 3HD1 LEU 7 -1.248 -0.797 -7.074
44 1HD2 LEU 7 1HD2 LEU 7 -1.580 2.545 -5.821
45 2HD2 LEU 7 2HD2 LEU 7 -0.798 1.700 -7.156
46 3HD2 LEU 7 3HD2 LEU 7 -0.669 1.067 -5.515
47 H SER 8 H SER 8 -5.013 -0.603 -8.135
48 HA SER 8 HA SER 8 -6.509 -2.481 -6.787
49 1HB SER 8 2HB SER 8 -5.304 -2.450 -9.182
50 2HB SER 8 1HB SER 8 -4.177 -3.496 -8.317
51 HG SER 8 HG SER 8 -5.583 -5.024 -8.545
52 H LYS 9 H LYS 9 -5.155 -4.776 -6.387
53 HA LYS 9 HA LYS 9 -4.271 -4.647 -3.782
54 1HB LYS 9 2HB LYS 9 -3.859 -6.641 -5.978
55 2HB LYS 9 1HB LYS 9 -3.031 -6.859 -4.443
56 1HG LYS 9 2HG LYS 9 -4.973 -7.265 -3.293
57 2HG LYS 9 1HG LYS 9 -5.967 -6.366 -4.441
58 1HD LYS 9 2HD LYS 9 -6.251 -8.153 -5.790
59 2HD LYS 9 1HD LYS 9 -4.604 -8.734 -5.536
60 1HE LYS 9 2HE LYS 9 -5.625 -10.365 -4.369
61 2HE LYS 9 1HE LYS 9 -5.660 -9.155 -3.086
62 1HZ LYS 9 1HZ LYS 9 -7.873 -8.879 -3.287
63 2HZ LYS 9 2HZ LYS 9 -7.818 -10.437 -3.944
64 3HZ LYS 9 3HZ LYS 9 -7.877 -9.091 -4.966
65 H CYS 10 H CYS 10 -2.328 -4.439 -2.754
66 HA CYS 10 HA CYS 10 -0.021 -3.716 -4.438
67 1HB CYS 10 2HB CYS 10 -1.213 -2.362 -2.073
68 2HB CYS 10 1HB CYS 10 0.544 -2.365 -2.196
69 H ALA 11 H ALA 11 -1.073 -5.080 -1.346
70 HA ALA 11 HA ALA 11 1.378 -6.699 -1.322
71 1HB ALA 11 1HB ALA 11 0.230 -5.398 1.142
72 2HB ALA 11 2HB ALA 11 1.614 -4.779 0.242
73 3HB ALA 11 3HB ALA 11 1.707 -6.355 1.027
74 H ALA 12 H ALA 12 1.018 -8.801 -0.997
75 HA ALA 12 HA ALA 12 -1.700 -9.642 -0.302
76 1HB ALA 12 1HB ALA 12 -1.089 -10.693 -2.276
77 2HB ALA 12 2HB ALA 12 -0.738 -11.923 -1.062
78 3HB ALA 12 3HB ALA 12 0.571 -10.956 -1.742
79 H ALA 13 H ALA 13 0.229 -8.684 1.700
80 HA ALA 13 HA ALA 13 -0.109 -10.820 3.595
81 1HB ALA 13 1HB ALA 13 2.713 -9.969 3.508
82 2HB ALA 13 2HB ALA 13 2.183 -11.023 2.198
83 3HB ALA 13 3HB ALA 13 2.011 -11.545 3.873
84 H ALA 14 H ALA 14 -0.884 -8.005 3.212
85 HA ALA 14 HA ALA 14 -1.231 -6.161 4.494
86 1HB ALA 14 1HB ALA 14 -1.167 -6.354 6.824
87 2HB ALA 14 2HB ALA 14 0.150 -7.527 6.781
88 3HB ALA 14 3HB ALA 14 -1.468 -7.998 6.261
89 H ASN 15 H ASN 15 1.225 -6.491 2.957
90 HA ASN 15 HA ASN 15 3.320 -5.235 4.499
91 1HB ASN 15 2HB ASN 15 3.452 -6.880 2.405
92 2HB ASN 15 1HB ASN 15 3.446 -5.355 1.524
93 1HD2 ASN 15 1HD2 ASN 15 5.467 -7.580 2.361
94 2HD2 ASN 15 2HD2 ASN 15 6.863 -6.664 2.804
95 H VAL 16 H VAL 16 1.858 -3.418 5.082
96 HA VAL 16 HA VAL 16 0.914 -1.545 3.236
97 HB VAL 16 HB VAL 16 1.844 -0.968 6.050
98 1HG1 VAL 16 1HG1 VAL 16 -0.360 0.584 5.531
99 2HG1 VAL 16 2HG1 VAL 16 0.497 0.599 3.989
100 3HG1 VAL 16 3HG1 VAL 16 1.316 1.124 5.460
101 1HG2 VAL 16 1HG2 VAL 16 0.288 -2.470 6.640
102 2HG2 VAL 16 2HG2 VAL 16 -0.434 -2.496 5.031
103 3HG2 VAL 16 3HG2 VAL 16 -0.873 -1.227 6.174
104 H ALA 17 H ALA 17 4.013 -1.691 4.967
105 HA ALA 17 HA ALA 17 5.067 0.743 4.164
106 1HB ALA 17 1HB ALA 17 5.999 -1.196 5.717
107 2HB ALA 17 2HB ALA 17 7.063 0.008 4.990
108 3HB ALA 17 3HB ALA 17 6.906 -1.588 4.257
109 H ALA 18 H ALA 18 5.122 -2.376 2.484
110 HA ALA 18 HA ALA 18 6.695 -1.534 0.291
111 1HB ALA 18 1HB ALA 18 4.563 -3.641 0.101
112 2HB ALA 18 2HB ALA 18 6.065 -3.922 0.981
113 3HB ALA 18 3HB ALA 18 6.109 -3.554 -0.743
114 H HIS 19 H HIS 19 3.343 -1.232 1.108
115 HA HIS 19 HA HIS 19 2.442 -0.431 -1.489
116 1HB HIS 19 2HB HIS 19 0.669 -1.292 -0.338
117 2HB HIS 19 1HB HIS 19 1.285 -0.765 1.219
118 HD2 HIS 19 2HD HIS 19 0.240 1.523 2.194
119 HE1 HIS 19 1HE HIS 19 -2.199 2.417 -1.125
120 HE2 HIS 19 2HE HIS 19 -1.542 3.114 1.216
121 H MET 20 H MET 20 2.788 1.328 1.612
122 HA MET 20 HA MET 20 2.282 3.857 0.528
123 1HB MET 20 2HB MET 20 2.373 3.140 2.982
124 2HB MET 20 1HB MET 20 4.103 3.425 2.872
125 1HG MET 20 2HG MET 20 3.106 5.721 1.819
126 2HG MET 20 1HG MET 20 1.882 5.322 3.023
127 1HE MET 20 1HE MET 20 3.243 8.052 3.611
128 2HE MET 20 2HE MET 20 3.562 7.782 5.325
129 3HE MET 20 3HE MET 20 2.085 7.155 4.593
130 H THR 21 H THR 21 5.169 1.933 0.517
131 HA THR 21 HA THR 21 7.143 3.827 0.142
132 HB THR 21 HB THR 21 7.223 1.206 0.161
133 HG1 THR 21 1HG THR 21 9.297 1.335 -0.626
134 1HG2 THR 21 1HG2 THR 21 7.728 1.410 -2.738
135 2HG2 THR 21 2HG2 THR 21 6.047 1.294 -2.217
136 3HG2 THR 21 3HG2 THR 21 7.199 0.038 -1.766
137 H HIS 22 H HIS 22 4.544 2.881 -1.911
138 HA HIS 22 HA HIS 22 5.394 4.862 -3.904
139 1HB HIS 22 2HB HIS 22 4.402 3.348 -5.659
140 2HB HIS 22 1HB HIS 22 5.884 2.753 -4.916
141 HD1 HIS 22 1HD HIS 22 5.738 0.328 -4.466
142 HD2 HIS 22 2HD HIS 22 2.066 2.209 -4.012
143 HE1 HIS 22 1HE HIS 22 4.138 -1.479 -3.758
144 HE2 HIS 22 2HE HIS 22 1.961 -0.289 -3.364
145 H CYS 23 H CYS 23 3.005 3.869 -1.746
146 HA CYS 23 HA CYS 23 0.919 5.242 -3.301
147 1HB CYS 23 2HB CYS 23 0.818 2.960 -1.367
148 2HB CYS 23 1HB CYS 23 -0.541 4.069 -1.428
149 H ALA 24 H ALA 24 2.400 7.073 -2.331
150 HA ALA 24 HA ALA 24 1.512 7.776 0.373
151 1HB ALA 24 1HB ALA 24 3.760 8.723 -1.368
152 2HB ALA 24 2HB ALA 24 3.825 8.018 0.247
153 3HB ALA 24 3HB ALA 24 3.229 9.663 0.026
154 H LYS 25 H LYS 25 -0.360 7.901 -1.786
155 HA LYS 25 HA LYS 25 -1.177 10.662 -1.490
156 1HB LYS 25 2HB LYS 25 -1.460 11.073 -3.875
157 2HB LYS 25 1HB LYS 25 0.227 10.734 -3.509
158 1HG LYS 25 2HG LYS 25 -1.416 8.416 -4.293
159 2HG LYS 25 1HG LYS 25 -1.107 9.619 -5.548
160 1HD LYS 25 2HD LYS 25 1.221 8.821 -3.921
161 2HD LYS 25 1HD LYS 25 0.561 7.578 -4.984
162 1HE LYS 25 2HE LYS 25 0.592 9.695 -6.660
163 2HE LYS 25 1HE LYS 25 1.973 10.081 -5.635
164 1HZ LYS 25 1HZ LYS 25 2.131 8.514 -7.769
165 2HZ LYS 25 2HZ LYS 25 1.818 7.341 -6.592
166 3HZ LYS 25 3HZ LYS 25 3.159 8.359 -6.434
Start of MODEL 18
1 1H ALA 1 1HT ALA 1 -1.404 5.033 4.078
2 2H ALA 1 2HT ALA 1 -2.287 4.570 2.680
3 3H ALA 1 3HT ALA 1 -0.663 4.052 2.884
4 HA ALA 1 HA ALA 1 -1.173 2.550 4.469
5 1HB ALA 1 1HB ALA 1 -2.572 4.353 5.694
6 2HB ALA 1 2HB ALA 1 -2.951 2.651 5.952
7 3HB ALA 1 3HB ALA 1 -3.942 3.618 4.860
8 H VAL 2 H VAL 2 -1.630 0.625 3.760
9 HA VAL 2 HA VAL 2 -2.744 0.132 1.265
10 HB VAL 2 HB VAL 2 -1.196 -1.325 2.676
11 1HG1 VAL 2 1HG1 VAL 2 -3.065 -1.361 4.532
12 2HG1 VAL 2 2HG1 VAL 2 -1.995 -2.741 4.284
13 3HG1 VAL 2 3HG1 VAL 2 -3.628 -2.759 3.617
14 1HG2 VAL 2 1HG2 VAL 2 -3.474 -2.396 1.040
15 2HG2 VAL 2 2HG2 VAL 2 -2.212 -3.454 1.673
16 3HG2 VAL 2 3HG2 VAL 2 -1.795 -2.145 0.566
17 H SER 3 H SER 3 -4.288 0.572 4.316
18 HA SER 3 HA SER 3 -6.686 -0.855 3.762
19 1HB SER 3 2HB SER 3 -5.707 0.079 6.031
20 2HB SER 3 1HB SER 3 -6.661 1.500 5.608
21 HG SER 3 HG SER 3 -7.746 -1.113 5.622
22 H ALA 4 H ALA 4 -5.618 2.460 3.258
23 HA ALA 4 HA ALA 4 -8.194 3.085 1.988
24 1HB ALA 4 1HB ALA 4 -7.005 5.471 2.062
25 2HB ALA 4 2HB ALA 4 -6.161 4.703 3.406
26 3HB ALA 4 3HB ALA 4 -7.920 4.821 3.421
27 H CYS 5 H CYS 5 -5.711 1.606 0.903
28 HA CYS 5 HA CYS 5 -4.486 3.173 -1.069
29 1HB CYS 5 2HB CYS 5 -3.590 1.008 -0.427
30 2HB CYS 5 1HB CYS 5 -5.034 0.202 -1.023
31 H ALA 6 H ALA 6 -4.969 3.652 -3.158
32 HA ALA 6 HA ALA 6 -7.754 3.379 -3.932
33 1HB ALA 6 1HB ALA 6 -5.856 4.671 -5.783
34 2HB ALA 6 2HB ALA 6 -6.029 5.429 -4.201
35 3HB ALA 6 3HB ALA 6 -7.443 5.202 -5.229
36 H LEU 7 H LEU 7 -4.595 2.193 -4.885
37 HA LEU 7 HA LEU 7 -5.807 0.695 -7.094
38 1HB LEU 7 2HB LEU 7 -3.551 0.374 -7.905
39 2HB LEU 7 1HB LEU 7 -3.878 2.076 -7.668
40 HG LEU 7 HG LEU 7 -2.717 1.146 -5.270
41 1HD1 LEU 7 1HD1 LEU 7 -1.443 0.016 -7.729
42 2HD1 LEU 7 2HD1 LEU 7 -1.749 -0.758 -6.174
43 3HD1 LEU 7 3HD1 LEU 7 -0.472 0.448 -6.322
44 1HD2 LEU 7 1HD2 LEU 7 -2.344 3.354 -5.887
45 2HD2 LEU 7 2HD2 LEU 7 -1.866 2.918 -7.527
46 3HD2 LEU 7 3HD2 LEU 7 -0.782 2.591 -6.176
47 H SER 8 H SER 8 -6.700 -1.066 -6.098
48 HA SER 8 HA SER 8 -5.848 -2.502 -3.950
49 1HB SER 8 2HB SER 8 -6.933 -3.959 -6.340
50 2HB SER 8 1HB SER 8 -7.281 -4.217 -4.630
51 HG SER 8 HG SER 8 -8.381 -2.410 -6.416
52 H LYS 9 H LYS 9 -4.895 -4.716 -3.869
53 HA LYS 9 HA LYS 9 -3.120 -6.113 -4.120
54 1HB LYS 9 2HB LYS 9 -3.430 -5.212 -6.984
55 2HB LYS 9 1HB LYS 9 -2.281 -6.446 -6.485
56 1HG LYS 9 2HG LYS 9 -5.274 -6.575 -6.177
57 2HG LYS 9 1HG LYS 9 -4.301 -7.456 -7.357
58 1HD LYS 9 2HD LYS 9 -4.444 -9.085 -5.785
59 2HD LYS 9 1HD LYS 9 -3.055 -8.225 -5.119
60 1HE LYS 9 2HE LYS 9 -4.279 -8.213 -3.231
61 2HE LYS 9 1HE LYS 9 -5.086 -6.843 -3.991
62 1HZ LYS 9 1HZ LYS 9 -6.393 -8.943 -3.070
63 2HZ LYS 9 2HZ LYS 9 -6.109 -9.491 -4.644
64 3HZ LYS 9 3HZ LYS 9 -6.942 -8.041 -4.392
65 H CYS 10 H CYS 10 -1.685 -4.985 -2.821
66 HA CYS 10 HA CYS 10 0.418 -3.560 -4.287
67 1HB CYS 10 2HB CYS 10 -1.279 -2.500 -2.111
68 2HB CYS 10 1HB CYS 10 0.445 -2.177 -1.959
69 H ALA 11 H ALA 11 -0.149 -6.218 -2.686
70 HA ALA 11 HA ALA 11 2.461 -6.805 -1.995
71 1HB ALA 11 1HB ALA 11 0.884 -5.617 0.255
72 2HB ALA 11 2HB ALA 11 2.557 -5.320 -0.216
73 3HB ALA 11 3HB ALA 11 2.119 -6.835 0.573
74 H ALA 12 H ALA 12 -0.914 -7.276 -1.077
75 HA ALA 12 HA ALA 12 -2.176 -9.146 -0.789
76 1HB ALA 12 1HB ALA 12 -0.769 -9.628 -3.013
77 2HB ALA 12 2HB ALA 12 -1.903 -10.789 -2.325
78 3HB ALA 12 3HB ALA 12 -0.175 -10.950 -2.009
79 H ALA 13 H ALA 13 -0.113 -8.387 1.183
80 HA ALA 13 HA ALA 13 -0.268 -10.771 2.794
81 1HB ALA 13 1HB ALA 13 1.720 -11.434 1.776
82 2HB ALA 13 2HB ALA 13 2.258 -10.653 3.263
83 3HB ALA 13 3HB ALA 13 2.355 -9.790 1.728
84 H ALA 14 H ALA 14 -1.140 -7.935 2.823
85 HA ALA 14 HA ALA 14 -1.444 -6.270 4.341
86 1HB ALA 14 1HB ALA 14 -0.039 -7.726 6.507
87 2HB ALA 14 2HB ALA 14 -1.467 -8.490 5.808
88 3HB ALA 14 3HB ALA 14 -1.589 -6.883 6.523
89 H ASN 15 H ASN 15 0.998 -6.381 2.752
90 HA ASN 15 HA ASN 15 3.051 -5.272 4.490
91 1HB ASN 15 2HB ASN 15 3.216 -6.796 2.242
92 2HB ASN 15 1HB ASN 15 3.455 -5.189 1.565
93 1HD2 ASN 15 1HD2 ASN 15 4.754 -4.014 3.759
94 2HD2 ASN 15 2HD2 ASN 15 6.319 -4.733 3.907
95 H VAL 16 H VAL 16 1.740 -3.432 5.114
96 HA VAL 16 HA VAL 16 0.801 -1.502 3.304
97 HB VAL 16 HB VAL 16 1.709 -1.013 6.142
98 1HG1 VAL 16 1HG1 VAL 16 -0.433 0.600 5.703
99 2HG1 VAL 16 2HG1 VAL 16 0.334 0.602 4.115
100 3HG1 VAL 16 3HG1 VAL 16 1.251 1.101 5.536
101 1HG2 VAL 16 1HG2 VAL 16 -0.163 -1.964 6.949
102 2HG2 VAL 16 2HG2 VAL 16 -0.152 -2.851 5.424
103 3HG2 VAL 16 3HG2 VAL 16 -1.151 -1.408 5.597
104 H ALA 17 H ALA 17 3.890 -1.765 5.033
105 HA ALA 17 HA ALA 17 4.974 0.687 4.285
106 1HB ALA 17 1HB ALA 17 6.540 -1.869 4.602
107 2HB ALA 17 2HB ALA 17 5.940 -0.909 5.955
108 3HB ALA 17 3HB ALA 17 7.117 -0.219 4.837
109 H ALA 18 H ALA 18 5.001 -2.419 2.589
110 HA ALA 18 HA ALA 18 6.626 -1.587 0.427
111 1HB ALA 18 1HB ALA 18 5.116 -3.520 -0.695
112 2HB ALA 18 2HB ALA 18 4.859 -3.878 1.013
113 3HB ALA 18 3HB ALA 18 6.495 -3.845 0.355
114 H HIS 19 H HIS 19 3.283 -1.203 1.221
115 HA HIS 19 HA HIS 19 2.407 -0.419 -1.390
116 1HB HIS 19 2HB HIS 19 0.609 -1.212 -0.232
117 2HB HIS 19 1HB HIS 19 1.234 -0.677 1.319
118 HD2 HIS 19 2HD HIS 19 0.274 1.680 2.238
119 HE1 HIS 19 1HE HIS 19 -2.140 2.562 -1.106
120 HE2 HIS 19 2HE HIS 19 -1.453 3.304 1.214
121 H MET 20 H MET 20 2.771 1.386 1.686
122 HA MET 20 HA MET 20 2.343 3.908 0.553
123 1HB MET 20 2HB MET 20 2.377 3.260 3.013
124 2HB MET 20 1HB MET 20 4.122 3.435 2.925
125 1HG MET 20 2HG MET 20 4.029 5.696 2.752
126 2HG MET 20 1HG MET 20 2.474 5.678 1.924
127 1HE MET 20 1HE MET 20 1.038 7.426 3.246
128 2HE MET 20 2HE MET 20 0.080 6.668 4.517
129 3HE MET 20 3HE MET 20 0.259 5.870 2.955
130 H THR 21 H THR 21 5.185 1.914 0.621
131 HA THR 21 HA THR 21 7.206 3.753 0.218
132 HB THR 21 HB THR 21 7.220 1.130 0.313
133 HG1 THR 21 1HG THR 21 9.250 1.552 0.175
134 1HG2 THR 21 1HG2 THR 21 7.233 -0.088 -1.593
135 2HG2 THR 21 2HG2 THR 21 7.755 1.269 -2.593
136 3HG2 THR 21 3HG2 THR 21 6.075 1.155 -2.067
137 H HIS 22 H HIS 22 4.607 2.820 -1.838
138 HA HIS 22 HA HIS 22 5.532 4.721 -3.874
139 1HB HIS 22 2HB HIS 22 4.569 3.189 -5.612
140 2HB HIS 22 1HB HIS 22 5.994 2.552 -4.795
141 HD1 HIS 22 1HD HIS 22 5.711 0.134 -4.371
142 HD2 HIS 22 2HD HIS 22 2.141 2.208 -3.949
143 HE1 HIS 22 1HE HIS 22 4.012 -1.581 -3.660
144 HE2 HIS 22 2HE HIS 22 1.905 -0.271 -3.270
145 H CYS 23 H CYS 23 3.089 3.854 -1.724
146 HA CYS 23 HA CYS 23 1.056 5.204 -3.370
147 1HB CYS 23 2HB CYS 23 0.881 2.993 -1.365
148 2HB CYS 23 1HB CYS 23 -0.445 4.141 -1.446
149 H ALA 24 H ALA 24 2.576 7.035 -2.442
150 HA ALA 24 HA ALA 24 1.302 8.017 0.029
151 1HB ALA 24 1HB ALA 24 3.897 7.392 -0.099
152 2HB ALA 24 2HB ALA 24 3.278 8.710 0.896
153 3HB ALA 24 3HB ALA 24 3.980 9.053 -0.686
154 H LYS 25 H LYS 25 -0.208 8.752 -1.813
155 HA LYS 25 HA LYS 25 0.046 11.541 -2.091
156 1HB LYS 25 2HB LYS 25 0.325 11.727 -4.516
157 2HB LYS 25 1HB LYS 25 1.727 10.968 -3.775
158 1HG LYS 25 2HG LYS 25 0.415 8.761 -4.386
159 2HG LYS 25 1HG LYS 25 -0.318 9.820 -5.593
160 1HD LYS 25 2HD LYS 25 2.298 10.460 -5.880
161 2HD LYS 25 1HD LYS 25 2.424 8.762 -5.411
162 1HE LYS 25 2HE LYS 25 0.809 8.200 -7.207
163 2HE LYS 25 1HE LYS 25 0.830 9.889 -7.709
164 1HZ LYS 25 1HZ LYS 25 2.432 9.120 -9.074
165 2HZ LYS 25 2HZ LYS 25 2.843 7.820 -8.073
166 3HZ LYS 25 3HZ LYS 25 3.424 9.370 -7.726
Start of MODEL 19
1 1H ALA 1 1HT ALA 1 -2.335 4.238 2.820
2 2H ALA 1 2HT ALA 1 -0.689 3.762 2.911
3 3H ALA 1 3HT ALA 1 -1.401 4.647 4.198
4 HA ALA 1 HA ALA 1 -1.074 2.165 4.446
5 1HB ALA 1 1HB ALA 1 -3.523 2.119 5.458
6 2HB ALA 1 2HB ALA 1 -3.419 3.850 5.136
7 3HB ALA 1 3HB ALA 1 -2.231 3.076 6.184
8 H VAL 2 H VAL 2 -1.432 0.281 3.604
9 HA VAL 2 HA VAL 2 -2.582 -0.155 1.138
10 HB VAL 2 HB VAL 2 -0.993 -1.625 2.464
11 1HG1 VAL 2 1HG1 VAL 2 -3.548 -2.821 3.525
12 2HG1 VAL 2 2HG1 VAL 2 -2.454 -1.807 4.465
13 3HG1 VAL 2 3HG1 VAL 2 -1.901 -3.363 3.846
14 1HG2 VAL 2 1HG2 VAL 2 -2.029 -3.757 1.440
15 2HG2 VAL 2 2HG2 VAL 2 -1.591 -2.429 0.362
16 3HG2 VAL 2 3HG2 VAL 2 -3.276 -2.670 0.825
17 H SER 3 H SER 3 -4.106 0.039 4.241
18 HA SER 3 HA SER 3 -6.496 -1.360 3.559
19 1HB SER 3 2HB SER 3 -5.649 0.438 5.802
20 2HB SER 3 1HB SER 3 -7.362 0.072 5.593
21 HG SER 3 HG SER 3 -6.724 -2.182 5.625
22 H ALA 4 H ALA 4 -5.369 1.929 3.252
23 HA ALA 4 HA ALA 4 -7.986 2.731 2.172
24 1HB ALA 4 1HB ALA 4 -5.793 4.636 2.920
25 2HB ALA 4 2HB ALA 4 -6.918 4.003 4.120
26 3HB ALA 4 3HB ALA 4 -7.520 4.946 2.757
27 H CYS 5 H CYS 5 -5.525 1.318 0.904
28 HA CYS 5 HA CYS 5 -4.301 2.976 -0.958
29 1HB CYS 5 2HB CYS 5 -3.580 0.676 -0.564
30 2HB CYS 5 1HB CYS 5 -5.081 0.069 -1.251
31 H ALA 6 H ALA 6 -4.788 3.677 -2.998
32 HA ALA 6 HA ALA 6 -7.623 3.652 -3.685
33 1HB ALA 6 1HB ALA 6 -5.368 5.271 -4.861
34 2HB ALA 6 2HB ALA 6 -6.464 5.805 -3.586
35 3HB ALA 6 3HB ALA 6 -7.085 5.475 -5.203
36 H LEU 7 H LEU 7 -4.566 2.424 -4.841
37 HA LEU 7 HA LEU 7 -5.746 1.642 -7.384
38 1HB LEU 7 2HB LEU 7 -3.618 1.312 -8.176
39 2HB LEU 7 1HB LEU 7 -3.374 2.610 -7.031
40 HG LEU 7 HG LEU 7 -2.906 0.424 -5.466
41 1HD1 LEU 7 1HD1 LEU 7 -2.235 -0.262 -8.292
42 2HD1 LEU 7 2HD1 LEU 7 -2.918 -1.276 -7.023
43 3HD1 LEU 7 3HD1 LEU 7 -1.210 -0.839 -6.979
44 1HD2 LEU 7 1HD2 LEU 7 -1.580 2.552 -5.807
45 2HD2 LEU 7 2HD2 LEU 7 -0.781 1.729 -7.147
46 3HD2 LEU 7 3HD2 LEU 7 -0.640 1.091 -5.509
47 H SER 8 H SER 8 -5.030 -0.651 -8.134
48 HA SER 8 HA SER 8 -6.488 -2.530 -6.760
49 1HB SER 8 2HB SER 8 -4.456 -2.620 -8.911
50 2HB SER 8 1HB SER 8 -4.762 -4.139 -8.070
51 HG SER 8 HG SER 8 -6.637 -2.503 -9.427
52 H LYS 9 H LYS 9 -5.233 -4.799 -6.252
53 HA LYS 9 HA LYS 9 -4.282 -4.612 -3.685
54 1HB LYS 9 2HB LYS 9 -3.806 -6.699 -5.804
55 2HB LYS 9 1HB LYS 9 -3.200 -6.884 -4.164
56 1HG LYS 9 2HG LYS 9 -5.307 -7.126 -3.266
57 2HG LYS 9 1HG LYS 9 -6.088 -6.289 -4.610
58 1HD LYS 9 2HD LYS 9 -6.668 -8.472 -5.053
59 2HD LYS 9 1HD LYS 9 -5.187 -8.317 -6.000
60 1HE LYS 9 2HE LYS 9 -3.908 -9.367 -4.231
61 2HE LYS 9 1HE LYS 9 -5.340 -9.441 -3.206
62 1HZ LYS 9 1HZ LYS 9 -4.608 -11.504 -4.573
63 2HZ LYS 9 2HZ LYS 9 -5.397 -10.724 -5.850
64 3HZ LYS 9 3HZ LYS 9 -6.252 -11.122 -4.446
65 H CYS 10 H CYS 10 -2.350 -4.315 -2.699
66 HA CYS 10 HA CYS 10 -0.051 -3.712 -4.442
67 1HB CYS 10 2HB CYS 10 -1.154 -2.333 -2.049
68 2HB CYS 10 1HB CYS 10 0.598 -2.365 -2.223
69 H ALA 11 H ALA 11 -1.088 -5.123 -1.377
70 HA ALA 11 HA ALA 11 1.341 -6.765 -1.392
71 1HB ALA 11 1HB ALA 11 1.725 -4.890 0.156
72 2HB ALA 11 2HB ALA 11 1.687 -6.447 0.985
73 3HB ALA 11 3HB ALA 11 0.293 -5.369 1.068
74 H ALA 12 H ALA 12 0.951 -8.858 -1.030
75 HA ALA 12 HA ALA 12 -1.770 -9.637 -0.277
76 1HB ALA 12 1HB ALA 12 0.420 -10.939 -1.818
77 2HB ALA 12 2HB ALA 12 -1.292 -10.774 -2.208
78 3HB ALA 12 3HB ALA 12 -0.771 -11.956 -1.007
79 H ALA 13 H ALA 13 0.204 -8.698 1.683
80 HA ALA 13 HA ALA 13 -0.125 -10.824 3.595
81 1HB ALA 13 1HB ALA 13 2.006 -11.532 3.873
82 2HB ALA 13 2HB ALA 13 2.699 -9.970 3.437
83 3HB ALA 13 3HB ALA 13 2.135 -11.066 2.177
84 H ALA 14 H ALA 14 -0.899 -8.007 3.207
85 HA ALA 14 HA ALA 14 -1.226 -6.156 4.484
86 1HB ALA 14 1HB ALA 14 -1.798 -7.149 6.429
87 2HB ALA 14 2HB ALA 14 -0.245 -6.508 6.965
88 3HB ALA 14 3HB ALA 14 -0.374 -8.188 6.445
89 H ASN 15 H ASN 15 1.213 -6.500 2.924
90 HA ASN 15 HA ASN 15 3.331 -5.252 4.437
91 1HB ASN 15 2HB ASN 15 3.324 -6.853 2.236
92 2HB ASN 15 1HB ASN 15 3.524 -5.272 1.490
93 1HD2 ASN 15 1HD2 ASN 15 4.986 -4.037 3.543
94 2HD2 ASN 15 2HD2 ASN 15 6.552 -4.765 3.603
95 H VAL 16 H VAL 16 1.879 -3.437 5.048
96 HA VAL 16 HA VAL 16 0.927 -1.549 3.214
97 HB VAL 16 HB VAL 16 1.850 -0.996 6.036
98 1HG1 VAL 16 1HG1 VAL 16 -0.356 0.555 5.527
99 2HG1 VAL 16 2HG1 VAL 16 0.501 0.583 3.986
100 3HG1 VAL 16 3HG1 VAL 16 1.319 1.099 5.461
101 1HG2 VAL 16 1HG2 VAL 16 0.301 -2.515 6.604
102 2HG2 VAL 16 2HG2 VAL 16 -0.428 -2.514 4.998
103 3HG2 VAL 16 3HG2 VAL 16 -0.861 -1.263 6.163
104 H ALA 17 H ALA 17 4.023 -1.712 4.950
105 HA ALA 17 HA ALA 17 5.076 0.733 4.174
106 1HB ALA 17 1HB ALA 17 6.446 -1.895 4.709
107 2HB ALA 17 2HB ALA 17 6.229 -0.541 5.816
108 3HB ALA 17 3HB ALA 17 7.317 -0.386 4.438
109 H ALA 18 H ALA 18 5.139 -2.369 2.462
110 HA ALA 18 HA ALA 18 6.718 -1.498 0.284
111 1HB ALA 18 1HB ALA 18 4.655 -3.549 -0.240
112 2HB ALA 18 2HB ALA 18 5.797 -3.905 1.056
113 3HB ALA 18 3HB ALA 18 6.387 -3.570 -0.572
114 H HIS 19 H HIS 19 3.361 -1.226 1.093
115 HA HIS 19 HA HIS 19 2.462 -0.405 -1.498
116 1HB HIS 19 2HB HIS 19 0.691 -1.282 -0.356
117 2HB HIS 19 1HB HIS 19 1.302 -0.766 1.205
118 HD2 HIS 19 2HD HIS 19 0.255 1.517 2.194
119 HE1 HIS 19 1HE HIS 19 -2.191 2.418 -1.118
120 HE2 HIS 19 2HE HIS 19 -1.533 3.108 1.225
121 H MET 20 H MET 20 2.799 1.328 1.619
122 HA MET 20 HA MET 20 2.275 3.863 0.558
123 1HB MET 20 2HB MET 20 2.370 3.127 3.005
124 2HB MET 20 1HB MET 20 4.099 3.423 2.898
125 1HG MET 20 2HG MET 20 3.849 5.675 2.786
126 2HG MET 20 1HG MET 20 2.287 5.571 1.978
127 1HE MET 20 1HE MET 20 0.890 7.457 3.805
128 2HE MET 20 2HE MET 20 -0.181 6.231 4.482
129 3HE MET 20 3HE MET 20 0.364 6.099 2.810
130 H THR 21 H THR 21 5.177 1.961 0.539
131 HA THR 21 HA THR 21 7.136 3.876 0.176
132 HB THR 21 HB THR 21 7.236 1.254 0.185
133 HG1 THR 21 1HG THR 21 9.014 2.699 -1.476
134 1HG2 THR 21 1HG2 THR 21 7.786 1.438 -2.696
135 2HG2 THR 21 2HG2 THR 21 6.087 1.387 -2.227
136 3HG2 THR 21 3HG2 THR 21 7.177 0.092 -1.733
137 H HIS 22 H HIS 22 4.547 2.925 -1.884
138 HA HIS 22 HA HIS 22 5.390 4.919 -3.867
139 1HB HIS 22 2HB HIS 22 4.431 3.404 -5.635
140 2HB HIS 22 1HB HIS 22 5.907 2.811 -4.876
141 HD1 HIS 22 1HD HIS 22 5.761 0.381 -4.458
142 HD2 HIS 22 2HD HIS 22 2.084 2.251 -4.000
143 HE1 HIS 22 1HE HIS 22 4.161 -1.434 -3.770
144 HE2 HIS 22 2HE HIS 22 1.981 -0.251 -3.373
145 H CYS 23 H CYS 23 2.999 3.921 -1.717
146 HA CYS 23 HA CYS 23 0.910 5.255 -3.304
147 1HB CYS 23 2HB CYS 23 0.820 2.988 -1.354
148 2HB CYS 23 1HB CYS 23 -0.548 4.087 -1.418
149 H ALA 24 H ALA 24 0.620 7.290 -2.718
150 HA ALA 24 HA ALA 24 0.120 7.976 0.026
151 1HB ALA 24 1HB ALA 24 2.710 8.024 -0.461
152 2HB ALA 24 2HB ALA 24 1.941 9.264 0.529
153 3HB ALA 24 3HB ALA 24 2.316 9.593 -1.162
154 H LYS 25 H LYS 25 -1.386 8.065 -2.379
155 HA LYS 25 HA LYS 25 -2.129 10.871 -2.341
156 1HB LYS 25 2HB LYS 25 -2.104 11.118 -4.766
157 2HB LYS 25 1HB LYS 25 -0.492 10.748 -4.171
158 1HG LYS 25 2HG LYS 25 -2.177 8.473 -5.040
159 2HG LYS 25 1HG LYS 25 -1.541 9.547 -6.288
160 1HD LYS 25 2HD LYS 25 0.400 8.718 -4.237
161 2HD LYS 25 1HD LYS 25 -0.202 7.421 -5.272
162 1HE LYS 25 2HE LYS 25 0.292 9.331 -7.115
163 2HE LYS 25 1HE LYS 25 1.527 9.717 -5.917
164 1HZ LYS 25 1HZ LYS 25 2.494 8.194 -7.402
165 2HZ LYS 25 2HZ LYS 25 1.149 7.169 -7.378
166 3HZ LYS 25 3HZ LYS 25 2.139 7.296 -6.012
Start of MODEL 20
1 1H ALA 1 1HT ALA 1 -2.293 4.573 2.664
2 2H ALA 1 2HT ALA 1 -0.668 4.064 2.874
3 3H ALA 1 3HT ALA 1 -1.422 5.045 4.062
4 HA ALA 1 HA ALA 1 -1.174 2.563 4.459
5 1HB ALA 1 1HB ALA 1 -2.358 3.565 6.116
6 2HB ALA 1 2HB ALA 1 -3.685 2.683 5.359
7 3HB ALA 1 3HB ALA 1 -3.441 4.392 4.997
8 H VAL 2 H VAL 2 -1.624 0.634 3.758
9 HA VAL 2 HA VAL 2 -2.732 0.129 1.262
10 HB VAL 2 HB VAL 2 -1.180 -1.318 2.676
11 1HG1 VAL 2 1HG1 VAL 2 -3.677 -2.653 3.650
12 2HG1 VAL 2 2HG1 VAL 2 -2.926 -1.357 4.581
13 3HG1 VAL 2 3HG1 VAL 2 -2.019 -2.827 4.225
14 1HG2 VAL 2 1HG2 VAL 2 -2.205 -3.457 1.688
15 2HG2 VAL 2 2HG2 VAL 2 -1.769 -2.158 0.577
16 3HG2 VAL 2 3HG2 VAL 2 -3.454 -2.393 1.040
17 H SER 3 H SER 3 -4.283 0.574 4.310
18 HA SER 3 HA SER 3 -6.675 -0.864 3.754
19 1HB SER 3 2HB SER 3 -5.766 1.076 5.818
20 2HB SER 3 1HB SER 3 -7.507 0.909 5.586
21 HG SER 3 HG SER 3 -7.095 -1.424 5.800
22 H ALA 4 H ALA 4 -5.611 2.451 3.244
23 HA ALA 4 HA ALA 4 -8.189 3.070 1.973
24 1HB ALA 4 1HB ALA 4 -6.020 4.882 3.017
25 2HB ALA 4 2HB ALA 4 -7.629 4.635 3.695
26 3HB ALA 4 3HB ALA 4 -7.442 5.442 2.138
27 H CYS 5 H CYS 5 -5.701 1.598 0.891
28 HA CYS 5 HA CYS 5 -4.474 3.166 -1.077
29 1HB CYS 5 2HB CYS 5 -3.578 1.001 -0.437
30 2HB CYS 5 1HB CYS 5 -5.022 0.194 -1.033
31 H ALA 6 H ALA 6 -4.960 3.658 -3.160
32 HA ALA 6 HA ALA 6 -7.740 3.392 -3.941
33 1HB ALA 6 1HB ALA 6 -5.448 5.068 -4.773
34 2HB ALA 6 2HB ALA 6 -7.133 5.507 -4.488
35 3HB ALA 6 3HB ALA 6 -6.669 4.721 -5.997
36 H LEU 7 H LEU 7 -4.589 2.184 -4.892
37 HA LEU 7 HA LEU 7 -5.814 0.679 -7.090
38 1HB LEU 7 2HB LEU 7 -3.560 0.347 -7.909
39 2HB LEU 7 1HB LEU 7 -3.884 2.050 -7.682
40 HG LEU 7 HG LEU 7 -2.714 1.133 -5.282
41 1HD1 LEU 7 1HD1 LEU 7 -1.861 -0.813 -6.382
42 2HD1 LEU 7 2HD1 LEU 7 -0.531 0.321 -6.150
43 3HD1 LEU 7 3HD1 LEU 7 -1.278 0.151 -7.738
44 1HD2 LEU 7 1HD2 LEU 7 -1.873 2.897 -7.549
45 2HD2 LEU 7 2HD2 LEU 7 -0.787 2.579 -6.197
46 3HD2 LEU 7 3HD2 LEU 7 -2.352 3.340 -5.910
47 H SER 8 H SER 8 -6.715 -1.062 -6.061
48 HA SER 8 HA SER 8 -5.836 -2.491 -3.915
49 1HB SER 8 2HB SER 8 -7.097 -3.733 -6.367
50 2HB SER 8 1HB SER 8 -7.161 -4.350 -4.716
51 HG SER 8 HG SER 8 -8.582 -2.828 -4.180
52 H LYS 9 H LYS 9 -4.891 -4.700 -3.823
53 HA LYS 9 HA LYS 9 -3.145 -6.126 -4.110
54 1HB LYS 9 2HB LYS 9 -3.336 -5.220 -6.988
55 2HB LYS 9 1HB LYS 9 -2.409 -6.602 -6.422
56 1HG LYS 9 2HG LYS 9 -5.398 -6.275 -6.294
57 2HG LYS 9 1HG LYS 9 -4.495 -7.343 -7.369
58 1HD LYS 9 2HD LYS 9 -4.921 -8.883 -5.779
59 2HD LYS 9 1HD LYS 9 -3.541 -8.139 -4.970
60 1HE LYS 9 2HE LYS 9 -4.966 -6.790 -3.616
61 2HE LYS 9 1HE LYS 9 -6.388 -7.251 -4.553
62 1HZ LYS 9 1HZ LYS 9 -5.716 -9.626 -3.785
63 2HZ LYS 9 2HZ LYS 9 -6.570 -8.609 -2.735
64 3HZ LYS 9 3HZ LYS 9 -4.899 -8.803 -2.552
65 H CYS 10 H CYS 10 -1.719 -4.943 -2.818
66 HA CYS 10 HA CYS 10 0.385 -3.558 -4.329
67 1HB CYS 10 2HB CYS 10 -1.274 -2.493 -2.132
68 2HB CYS 10 1HB CYS 10 0.455 -2.194 -1.982
69 H ALA 11 H ALA 11 -0.210 -6.197 -2.645
70 HA ALA 11 HA ALA 11 2.431 -6.803 -2.036
71 1HB ALA 11 1HB ALA 11 1.460 -5.044 -0.144
72 2HB ALA 11 2HB ALA 11 2.859 -6.102 0.039
73 3HB ALA 11 3HB ALA 11 1.280 -6.620 0.627
74 H ALA 12 H ALA 12 -0.930 -7.267 -1.070
75 HA ALA 12 HA ALA 12 -2.193 -9.135 -0.768
76 1HB ALA 12 1HB ALA 12 -0.830 -9.619 -3.011
77 2HB ALA 12 2HB ALA 12 -1.937 -10.792 -2.297
78 3HB ALA 12 3HB ALA 12 -0.201 -10.934 -2.018
79 H ALA 13 H ALA 13 -0.114 -8.380 1.183
80 HA ALA 13 HA ALA 13 -0.243 -10.773 2.788
81 1HB ALA 13 1HB ALA 13 1.973 -11.320 2.938
82 2HB ALA 13 2HB ALA 13 2.517 -9.699 2.509
83 3HB ALA 13 3HB ALA 13 1.903 -10.782 1.260
84 H ALA 14 H ALA 14 -1.138 -7.940 2.830
85 HA ALA 14 HA ALA 14 -1.443 -6.280 4.352
86 1HB ALA 14 1HB ALA 14 -1.656 -6.943 6.499
87 2HB ALA 14 2HB ALA 14 -0.051 -7.672 6.545
88 3HB ALA 14 3HB ALA 14 -1.394 -8.545 5.808
89 H ASN 15 H ASN 15 1.003 -6.382 2.769
90 HA ASN 15 HA ASN 15 3.043 -5.267 4.520
91 1HB ASN 15 2HB ASN 15 3.023 -6.580 1.968
92 2HB ASN 15 1HB ASN 15 3.817 -5.017 1.805
93 1HD2 ASN 15 1HD2 ASN 15 5.661 -4.581 3.070
94 2HD2 ASN 15 2HD2 ASN 15 6.614 -5.863 3.728
95 H VAL 16 H VAL 16 1.751 -3.416 5.131
96 HA VAL 16 HA VAL 16 0.808 -1.502 3.303
97 HB VAL 16 HB VAL 16 1.715 -0.989 6.137
98 1HG1 VAL 16 1HG1 VAL 16 -0.436 0.613 5.677
99 2HG1 VAL 16 2HG1 VAL 16 0.343 0.607 4.094
100 3HG1 VAL 16 3HG1 VAL 16 1.247 1.119 5.520
101 1HG2 VAL 16 1HG2 VAL 16 -0.146 -1.949 6.951
102 2HG2 VAL 16 2HG2 VAL 16 -0.150 -2.832 5.425
103 3HG2 VAL 16 3HG2 VAL 16 -1.145 -1.388 5.611
104 H ALA 17 H ALA 17 3.893 -1.756 5.037
105 HA ALA 17 HA ALA 17 4.984 0.689 4.280
106 1HB ALA 17 1HB ALA 17 6.644 -1.804 4.511
107 2HB ALA 17 2HB ALA 17 5.904 -1.049 5.924
108 3HB ALA 17 3HB ALA 17 7.068 -0.149 4.950
109 H ALA 18 H ALA 18 5.007 -2.423 2.592
110 HA ALA 18 HA ALA 18 6.631 -1.600 0.427
111 1HB ALA 18 1HB ALA 18 4.473 -3.699 0.293
112 2HB ALA 18 2HB ALA 18 6.039 -3.976 1.056
113 3HB ALA 18 3HB ALA 18 5.951 -3.595 -0.664
114 H HIS 19 H HIS 19 3.292 -1.199 1.221
115 HA HIS 19 HA HIS 19 2.422 -0.415 -1.394
116 1HB HIS 19 2HB HIS 19 0.620 -1.213 -0.247
117 2HB HIS 19 1HB HIS 19 1.238 -0.684 1.309
118 HD2 HIS 19 2HD HIS 19 0.279 1.672 2.231
119 HE1 HIS 19 1HE HIS 19 -2.132 2.560 -1.112
120 HE2 HIS 19 2HE HIS 19 -1.448 3.297 1.209
121 H MET 20 H MET 20 2.774 1.380 1.688
122 HA MET 20 HA MET 20 2.342 3.904 0.567
123 1HB MET 20 2HB MET 20 2.372 3.250 3.023
124 2HB MET 20 1HB MET 20 4.119 3.421 2.939
125 1HG MET 20 2HG MET 20 3.304 5.764 1.846
126 2HG MET 20 1HG MET 20 2.020 5.461 3.016
127 1HE MET 20 1HE MET 20 2.906 7.886 4.042
128 2HE MET 20 2HE MET 20 3.605 7.572 5.630
129 3HE MET 20 3HE MET 20 2.156 6.708 5.118
130 H THR 21 H THR 21 5.193 1.922 0.635
131 HA THR 21 HA THR 21 7.206 3.770 0.238
132 HB THR 21 HB THR 21 7.228 1.146 0.325
133 HG1 THR 21 1HG THR 21 9.193 1.926 0.354
134 1HG2 THR 21 1HG2 THR 21 7.158 -0.067 -1.557
135 2HG2 THR 21 2HG2 THR 21 7.841 1.223 -2.546
136 3HG2 THR 21 3HG2 THR 21 6.130 1.252 -2.117
137 H HIS 22 H HIS 22 4.613 2.835 -1.824
138 HA HIS 22 HA HIS 22 5.538 4.743 -3.854
139 1HB HIS 22 2HB HIS 22 4.593 3.210 -5.600
140 2HB HIS 22 1HB HIS 22 6.013 2.574 -4.774
141 HD1 HIS 22 1HD HIS 22 5.726 0.152 -4.372
142 HD2 HIS 22 2HD HIS 22 2.157 2.228 -3.941
143 HE1 HIS 22 1HE HIS 22 4.026 -1.565 -3.670
144 HE2 HIS 22 2HE HIS 22 1.920 -0.255 -3.274
145 H CYS 23 H CYS 23 3.092 3.875 -1.711
146 HA CYS 23 HA CYS 23 1.059 5.207 -3.375
147 1HB CYS 23 2HB CYS 23 0.886 3.003 -1.364
148 2HB CYS 23 1HB CYS 23 -0.442 4.149 -1.447
149 H ALA 24 H ALA 24 0.765 7.260 -2.861
150 HA ALA 24 HA ALA 24 0.279 8.057 -0.146
151 1HB ALA 24 1HB ALA 24 2.767 8.051 -0.270
152 2HB ALA 24 2HB ALA 24 2.070 9.629 0.101
153 3HB ALA 24 3HB ALA 24 2.661 9.286 -1.525
154 H LYS 25 H LYS 25 -1.211 8.084 -2.567
155 HA LYS 25 HA LYS 25 -1.919 10.896 -2.625
156 1HB LYS 25 2HB LYS 25 -1.901 11.018 -5.086
157 2HB LYS 25 1HB LYS 25 -0.290 10.773 -4.426
158 1HG LYS 25 2HG LYS 25 -1.809 8.354 -5.195
159 2HG LYS 25 1HG LYS 25 -1.226 9.394 -6.496
160 1HD LYS 25 2HD LYS 25 0.732 8.817 -4.377
161 2HD LYS 25 1HD LYS 25 0.234 7.425 -5.341
162 1HE LYS 25 2HE LYS 25 0.849 9.870 -6.862
163 2HE LYS 25 1HE LYS 25 2.218 9.126 -6.036
164 1HZ LYS 25 1HZ LYS 25 1.873 8.311 -8.327
165 2HZ LYS 25 2HZ LYS 25 0.380 7.670 -7.856
166 3HZ LYS 25 3HZ LYS 25 1.807 7.078 -7.170