Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10550 | 1pvz RC | 5865 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H THR 1 1H THR 1 -4.599 -5.618 9.624
2 HA THR 1 HA THR 1 -5.762 -8.050 8.477
3 HB THR 1 HB THR 1 -7.627 -6.709 8.283
4 HG1 THR 1 HG1 THR 1 -6.620 -5.955 5.812
5 1HG2 THR 1 1HG2 THR 1 -7.725 -4.421 7.418
6 2HG2 THR 1 2HG2 THR 1 -6.771 -4.498 8.902
7 3HG2 THR 1 3HG2 THR 1 -5.959 -4.340 7.330
8 HA PRO 2 HA PRO 2 -1.875 -7.090 6.219
9 2HB PRO 2 2HB PRO 2 -1.142 -9.158 7.057
10 2HG PRO 2 2HG PRO 2 -2.585 -11.088 7.082
11 2HD PRO 2 2HD PRO 2 -3.672 -9.469 8.428
12 H PHE 3 H PHE 3 -4.394 -6.322 5.220
13 HA PHE 3 HA PHE 3 -4.283 -6.781 2.347
14 2HB PHE 3 2HB PHE 3 -6.552 -7.534 2.145
15 HD1 PHE 3 HD1 PHE 3 -6.855 -9.225 5.242
16 HD2 PHE 3 HD2 PHE 3 -4.639 -9.314 1.547
17 HE1 PHE 3 HE1 PHE 3 -6.433 -11.650 5.551
18 HE2 PHE 3 HE2 PHE 3 -4.187 -11.733 1.878
19 HZ PHE 3 HZ PHE 3 -5.094 -12.906 3.873
20 H ALA 4 H ALA 4 -4.827 -4.791 1.476
21 HA ALA 4 HA ALA 4 -6.777 -3.024 2.528
22 1HB ALA 4 1HB ALA 4 -3.897 -2.087 2.984
23 2HB ALA 4 2HB ALA 4 -5.385 -1.171 3.308
24 3HB ALA 4 3HB ALA 4 -5.004 -2.590 4.270
25 H ILE 5 H ILE 5 -4.964 -0.725 1.397
26 HA ILE 5 HA ILE 5 -5.843 -0.893 -1.326
27 HB ILE 5 HB ILE 5 -4.112 0.944 0.337
28 2HG1 ILE 5 2HG1 ILE 5 -6.619 0.921 0.513
29 1HG2 ILE 5 1HG2 ILE 5 -3.019 0.999 -1.784
30 2HG2 ILE 5 2HG2 ILE 5 -4.565 1.190 -2.658
31 3HG2 ILE 5 3HG2 ILE 5 -3.931 2.484 -1.610
32 1HD1 ILE 5 1HD1 ILE 5 -5.309 3.002 0.992
33 2HD1 ILE 5 2HD1 ILE 5 -5.622 3.539 -0.676
34 3HD1 ILE 5 3HD1 ILE 5 -6.970 3.281 0.435
35 H LYS 6 H LYS 6 -4.918 -2.004 -2.963
36 HA LYS 6 HA LYS 6 -2.739 -3.706 -2.578
37 2HB LYS 6 2HB LYS 6 -3.438 -2.940 -5.390
38 2HG LYS 6 2HG LYS 6 -3.755 -5.300 -5.706
39 2HD LYS 6 2HD LYS 6 -1.217 -4.310 -5.055
40 2HE LYS 6 2HE LYS 6 -1.591 -7.095 -3.828
41 1HZ LYS 6 1HZ LYS 6 0.661 -5.198 -3.549
42 2HZ LYS 6 2HZ LYS 6 0.571 -6.708 -2.968
43 3HZ LYS 6 3HZ LYS 6 0.663 -6.473 -4.602
44 H CYS 7 H CYS 7 -0.562 -3.300 -2.472
45 HA CYS 7 HA CYS 7 0.526 -0.871 -3.853
46 2HB CYS 7 2HB CYS 7 1.108 -2.137 -1.157
47 H ALA 8 H ALA 8 2.624 -0.970 -4.671
48 HA ALA 8 HA ALA 8 3.943 -3.634 -4.900
49 1HB ALA 8 1HB ALA 8 3.678 -2.459 -7.032
50 2HB ALA 8 2HB ALA 8 4.484 -1.023 -6.378
51 3HB ALA 8 3HB ALA 8 5.385 -2.541 -6.556
52 H THR 9 H THR 9 4.908 -0.165 -4.397
53 HA THR 9 HA THR 9 6.633 -0.958 -2.100
54 HB THR 9 HB THR 9 8.289 0.680 -3.116
55 HG1 THR 9 HG1 THR 9 7.950 1.224 -5.276
56 1HG2 THR 9 1HG2 THR 9 9.196 -0.849 -4.771
57 2HG2 THR 9 2HG2 THR 9 8.548 -1.788 -3.414
58 3HG2 THR 9 3HG2 THR 9 7.641 -1.683 -4.939
59 H ASP 10 H ASP 10 7.410 1.037 -0.970
60 HA ASP 10 HA ASP 10 5.731 2.884 0.172
61 2HB ASP 10 2HB ASP 10 7.965 2.733 0.890
62 H ALA 11 H ALA 11 7.727 3.673 -2.728
63 HA ALA 11 HA ALA 11 6.541 5.972 -3.554
64 1HB ALA 11 1HB ALA 11 7.396 3.681 -5.375
65 2HB ALA 11 2HB ALA 11 7.230 5.387 -5.847
66 3HB ALA 11 3HB ALA 11 8.465 4.910 -4.663
67 H ASP 12 H ASP 12 5.212 2.690 -4.205
68 HA ASP 12 HA ASP 12 3.069 3.661 -5.868
69 2HB ASP 12 2HB ASP 12 2.906 1.048 -4.380
70 H CYS 13 H CYS 13 3.361 2.720 -2.416
71 HA CYS 13 HA CYS 13 0.795 3.252 -1.443
72 2HB CYS 13 2HB CYS 13 2.939 4.582 0.119
73 H SER 14 H SER 14 3.453 5.565 -1.880
74 HA SER 14 HA SER 14 2.150 7.978 -1.402
75 2HB SER 14 2HB SER 14 4.162 8.108 -3.567
76 HG SER 14 HG SER 14 5.120 9.399 -1.866
77 H ARG 15 H ARG 15 2.475 6.247 -4.509
78 HA ARG 15 HA ARG 15 1.267 8.008 -6.265
79 2HB ARG 15 2HB ARG 15 0.760 5.027 -6.298
80 2HG ARG 15 2HG ARG 15 1.565 6.485 -8.748
81 2HD ARG 15 2HD ARG 15 -0.052 4.864 -9.741
82 HE ARG 15 HE ARG 15 1.069 3.021 -7.725
83 1HH1 ARG 15 1HH1 ARG 15 1.985 5.052 -10.436
84 2HH1 ARG 15 2HH1 ARG 15 3.199 3.979 -11.072
85 1HH2 ARG 15 1HH2 ARG 15 2.618 1.488 -8.577
86 2HH2 ARG 15 2HH2 ARG 15 3.608 1.928 -9.932
87 H LYS 16 H LYS 16 -0.408 5.761 -3.992
88 HA LYS 16 HA LYS 16 -3.059 6.621 -5.027
89 2HB LYS 16 2HB LYS 16 -4.050 5.281 -3.334
90 2HG LYS 16 2HG LYS 16 -3.136 4.086 -5.404
91 2HD LYS 16 2HD LYS 16 -0.962 3.676 -3.382
92 2HE LYS 16 2HE LYS 16 -2.063 1.376 -3.646
93 1HZ LYS 16 1HZ LYS 16 -2.179 1.500 -6.120
94 2HZ LYS 16 2HZ LYS 16 -0.515 1.422 -6.114
95 3HZ LYS 16 3HZ LYS 16 -1.422 0.176 -5.469
96 H CYS 17 H CYS 17 -1.090 6.959 -2.058
97 HA CYS 17 HA CYS 17 -2.757 9.268 -1.165
98 2HB CYS 17 2HB CYS 17 -3.670 7.389 -0.080
99 HA PRO 18 HA PRO 18 1.537 10.301 -1.550
100 2HB PRO 18 2HB PRO 18 0.826 12.190 -2.641
101 2HG PRO 18 2HG PRO 18 -1.100 13.425 -1.886
102 2HD PRO 18 2HD PRO 18 -1.734 11.148 -2.279
103 H GLY 19 H GLY 19 3.335 11.375 -0.454
104 1HA GLY 19 1HA GLY 19 4.412 12.251 1.463
105 2HA GLY 19 2HA GLY 19 3.106 11.680 2.506
106 H ASN 20 H ASN 20 4.181 9.429 0.066
107 HA ASN 20 HA ASN 20 5.175 7.413 0.194
108 2HB ASN 20 2HB ASN 20 7.490 7.418 0.902
109 1HD2 ASN 20 1HD2 ASN 20 8.463 10.441 0.882
110 2HD2 ASN 20 2HD2 ASN 20 8.351 10.825 -0.827
111 HA PRO 21 HA PRO 21 3.877 6.347 4.575
112 2HB PRO 21 2HB PRO 21 1.626 6.639 4.502
113 2HG PRO 21 2HG PRO 21 0.548 7.093 2.462
114 2HD PRO 21 2HD PRO 21 2.422 8.417 2.195
115 HA PRO 22 HA PRO 22 5.705 2.466 3.485
116 2HB PRO 22 2HB PRO 22 6.354 2.466 5.728
117 2HG PRO 22 2HG PRO 22 4.768 2.880 7.495
118 2HD PRO 22 2HD PRO 22 4.741 4.782 6.091
119 H CYS 23 H CYS 23 5.313 0.282 2.846
120 HA CYS 23 HA CYS 23 2.468 -0.613 2.861
121 2HB CYS 23 2HB CYS 23 3.011 -2.017 0.929
122 H ARG 24 H ARG 24 2.089 -2.821 3.344
123 HA ARG 24 HA ARG 24 4.339 -4.463 4.283
124 2HB ARG 24 2HB ARG 24 1.906 -4.366 6.047
125 2HG ARG 24 2HG ARG 24 4.147 -5.802 6.290
126 2HD ARG 24 2HD ARG 24 5.759 -4.842 7.768
127 HE ARG 24 HE ARG 24 5.203 -2.994 5.458
128 1HH1 ARG 24 1HH1 ARG 24 7.671 -4.128 7.741
129 2HH1 ARG 24 2HH1 ARG 24 8.989 -3.552 6.770
130 1HH2 ARG 24 1HH2 ARG 24 6.801 -2.271 4.252
131 2HH2 ARG 24 2HH2 ARG 24 8.495 -2.419 4.693
132 H ASN 25 H ASN 25 3.942 -6.641 3.913
133 HA ASN 25 HA ASN 25 3.148 -8.341 2.661
134 2HB ASN 25 2HB ASN 25 0.336 -7.536 3.494
135 1HD2 ASN 25 1HD2 ASN 25 0.262 -9.103 1.384
136 2HD2 ASN 25 2HD2 ASN 25 0.147 -10.812 1.812
137 H GLY 26 H GLY 26 3.527 -5.783 1.312
138 1HA GLY 26 1HA GLY 26 3.160 -4.772 -0.701
139 2HA GLY 26 2HA GLY 26 2.394 -6.273 -1.240
140 H PHE 27 H PHE 27 1.127 -4.422 1.549
141 HA PHE 27 HA PHE 27 -0.957 -3.168 -0.169
142 2HB PHE 27 2HB PHE 27 -2.477 -3.455 1.784
143 HD1 PHE 27 HD1 PHE 27 -3.472 -4.098 -0.455
144 HD2 PHE 27 HD2 PHE 27 -1.193 -6.838 1.941
145 HE1 PHE 27 HE1 PHE 27 -4.571 -6.004 -1.597
146 HE2 PHE 27 HE2 PHE 27 -2.180 -8.739 0.723
147 HZ PHE 27 HZ PHE 27 -3.881 -8.337 -1.056
148 H CYS 28 H CYS 28 -1.382 -1.050 0.324
149 HA CYS 28 HA CYS 28 0.741 0.365 1.697
150 2HB CYS 28 2HB CYS 28 -1.840 1.355 0.437
151 H ALA 29 H ALA 29 0.769 1.247 3.728
152 HA ALA 29 HA ALA 29 -1.103 0.267 5.625
153 1HB ALA 29 1HB ALA 29 0.137 1.676 7.216
154 2HB ALA 29 2HB ALA 29 1.239 0.788 6.147
155 3HB ALA 29 3HB ALA 29 0.930 2.519 5.868
156 H CYS 30 H CYS 30 -1.156 3.209 3.698
157 HA CYS 30 HA CYS 30 -2.726 4.797 5.490
158 2HB CYS 30 2HB CYS 30 -1.370 5.517 3.409
159 H THR 31 H THR 31 -4.985 5.171 5.528
160 HA THR 31 HA THR 31 -6.633 2.885 4.964
161 HB THR 31 HB THR 31 -7.110 4.380 6.825
162 HG1 THR 31 HG1 THR 31 -9.329 4.497 6.415
163 1HG2 THR 31 1HG2 THR 31 -7.893 6.473 4.735
164 2HG2 THR 31 2HG2 THR 31 -8.135 6.593 6.486
165 3HG2 THR 31 3HG2 THR 31 -6.497 6.587 5.824
Start of MODEL 2
1 1H THR 1 1H THR 1 -15.091 -2.742 -5.348
2 HA THR 1 HA THR 1 -12.940 -1.848 -4.191
3 HB THR 1 HB THR 1 -15.462 -2.419 -2.599
4 HG1 THR 1 HG1 THR 1 -16.336 -0.678 -3.769
5 1HG2 THR 1 1HG2 THR 1 -15.092 -0.114 -1.780
6 2HG2 THR 1 2HG2 THR 1 -13.661 -1.105 -1.451
7 3HG2 THR 1 3HG2 THR 1 -13.654 0.043 -2.809
8 HA PRO 2 HA PRO 2 -11.950 -5.934 -2.074
9 2HB PRO 2 2HB PRO 2 -10.746 -6.778 -3.862
10 2HG PRO 2 2HG PRO 2 -9.672 -5.323 -5.442
11 2HD PRO 2 2HD PRO 2 -11.967 -4.689 -5.368
12 H PHE 3 H PHE 3 -11.192 -5.813 0.009
13 HA PHE 3 HA PHE 3 -10.315 -3.383 1.139
14 2HB PHE 3 2HB PHE 3 -9.830 -4.731 3.134
15 HD1 PHE 3 HD1 PHE 3 -12.006 -3.219 3.093
16 HD2 PHE 3 HD2 PHE 3 -11.938 -7.419 2.094
17 HE1 PHE 3 HE1 PHE 3 -14.437 -3.369 3.535
18 HE2 PHE 3 HE2 PHE 3 -14.371 -7.554 2.531
19 HZ PHE 3 HZ PHE 3 -15.626 -5.535 3.256
20 H ALA 4 H ALA 4 -8.358 -2.491 1.389
21 HA ALA 4 HA ALA 4 -6.169 -2.146 1.600
22 1HB ALA 4 1HB ALA 4 -4.619 -3.887 2.131
23 2HB ALA 4 2HB ALA 4 -6.137 -4.157 2.992
24 3HB ALA 4 3HB ALA 4 -5.734 -5.146 1.579
25 H ILE 5 H ILE 5 -5.514 -1.045 -0.104
26 HA ILE 5 HA ILE 5 -5.480 -1.989 -2.815
27 HB ILE 5 HB ILE 5 -4.199 0.405 -1.436
28 2HG1 ILE 5 2HG1 ILE 5 -6.856 0.066 -1.505
29 1HG2 ILE 5 1HG2 ILE 5 -4.184 1.425 -3.745
30 2HG2 ILE 5 2HG2 ILE 5 -3.075 0.072 -3.560
31 3HG2 ILE 5 3HG2 ILE 5 -4.622 -0.163 -4.401
32 1HD1 ILE 5 1HD1 ILE 5 -5.488 2.649 -2.333
33 2HD1 ILE 5 2HD1 ILE 5 -7.152 2.484 -1.731
34 3HD1 ILE 5 3HD1 ILE 5 -5.781 2.083 -0.679
35 H LYS 6 H LYS 6 -3.832 -3.130 -3.856
36 HA LYS 6 HA LYS 6 -1.512 -3.907 -2.336
37 2HB LYS 6 2HB LYS 6 -0.827 -4.944 -4.640
38 2HG LYS 6 2HG LYS 6 -2.411 -6.827 -4.409
39 2HD LYS 6 2HD LYS 6 -1.436 -5.893 -1.697
40 2HE LYS 6 2HE LYS 6 -1.189 -8.725 -2.619
41 1HZ LYS 6 1HZ LYS 6 -0.226 -7.895 -0.425
42 2HZ LYS 6 2HZ LYS 6 -1.730 -7.501 0.015
43 3HZ LYS 6 3HZ LYS 6 -1.360 -9.066 -0.249
44 H CYS 7 H CYS 7 0.688 -3.728 -3.011
45 HA CYS 7 HA CYS 7 1.586 -1.127 -4.085
46 2HB CYS 7 2HB CYS 7 1.482 -1.988 -1.154
47 H ALA 8 H ALA 8 3.641 -1.658 -4.984
48 HA ALA 8 HA ALA 8 5.032 -4.083 -3.952
49 1HB ALA 8 1HB ALA 8 5.583 -2.424 -6.443
50 2HB ALA 8 2HB ALA 8 6.379 -3.925 -5.946
51 3HB ALA 8 3HB ALA 8 4.661 -3.940 -6.393
52 H THR 9 H THR 9 5.512 -0.588 -4.734
53 HA THR 9 HA THR 9 7.706 -0.514 -2.676
54 HB THR 9 HB THR 9 8.808 1.146 -4.155
55 HG1 THR 9 HG1 THR 9 8.045 1.289 -6.293
56 1HG2 THR 9 1HG2 THR 9 8.275 -1.493 -5.585
57 2HG2 THR 9 2HG2 THR 9 9.680 -0.429 -5.784
58 3HG2 THR 9 3HG2 THR 9 9.425 -1.276 -4.247
59 H ASP 10 H ASP 10 8.145 1.494 -1.783
60 HA ASP 10 HA ASP 10 6.534 3.337 -0.613
61 2HB ASP 10 2HB ASP 10 8.863 3.600 -0.383
62 H ALA 11 H ALA 11 7.826 3.883 -3.905
63 HA ALA 11 HA ALA 11 6.398 5.962 -4.779
64 1HB ALA 11 1HB ALA 11 6.654 5.121 -7.048
65 2HB ALA 11 2HB ALA 11 8.092 4.738 -6.083
66 3HB ALA 11 3HB ALA 11 6.900 3.470 -6.442
67 H ASP 12 H ASP 12 5.021 2.610 -4.705
68 HA ASP 12 HA ASP 12 2.672 3.252 -6.273
69 2HB ASP 12 2HB ASP 12 1.829 1.115 -5.538
70 H CYS 13 H CYS 13 3.263 2.941 -2.764
71 HA CYS 13 HA CYS 13 0.683 3.853 -1.898
72 2HB CYS 13 2HB CYS 13 2.213 5.023 -0.058
73 H SER 14 H SER 14 3.698 5.632 -2.524
74 HA SER 14 HA SER 14 2.928 8.178 -2.011
75 2HB SER 14 2HB SER 14 4.581 8.040 -4.474
76 HG SER 14 HG SER 14 5.925 8.655 -2.301
77 H ARG 15 H ARG 15 2.434 6.652 -5.273
78 HA ARG 15 HA ARG 15 1.186 8.936 -6.452
79 2HB ARG 15 2HB ARG 15 -0.138 7.314 -7.834
80 2HG ARG 15 2HG ARG 15 2.184 8.120 -8.549
81 2HD ARG 15 2HD ARG 15 2.688 5.409 -7.410
82 HE ARG 15 HE ARG 15 3.695 6.195 -10.072
83 1HH1 ARG 15 1HH1 ARG 15 4.186 4.152 -7.290
84 2HH1 ARG 15 2HH1 ARG 15 4.420 2.665 -8.115
85 1HH2 ARG 15 1HH2 ARG 15 4.455 4.329 -11.327
86 2HH2 ARG 15 2HH2 ARG 15 4.927 2.887 -10.473
87 H LYS 16 H LYS 16 -0.225 6.358 -4.392
88 HA LYS 16 HA LYS 16 -2.928 7.257 -5.056
89 2HB LYS 16 2HB LYS 16 -2.439 5.202 -2.924
90 2HG LYS 16 2HG LYS 16 -4.109 3.939 -4.154
91 2HD LYS 16 2HD LYS 16 -5.058 6.836 -4.167
92 2HE LYS 16 2HE LYS 16 -6.575 4.237 -3.711
93 1HZ LYS 16 1HZ LYS 16 -7.514 7.027 -3.844
94 2HZ LYS 16 2HZ LYS 16 -8.470 5.695 -3.713
95 3HZ LYS 16 3HZ LYS 16 -7.460 6.106 -2.481
96 H CYS 17 H CYS 17 -0.658 7.484 -2.353
97 HA CYS 17 HA CYS 17 -2.593 9.007 -0.698
98 2HB CYS 17 2HB CYS 17 -1.142 6.446 0.040
99 HA PRO 18 HA PRO 18 1.334 11.167 -0.735
100 2HB PRO 18 2HB PRO 18 0.069 13.091 -1.026
101 2HG PRO 18 2HG PRO 18 -1.992 13.425 0.171
102 2HD PRO 18 2HD PRO 18 -2.193 11.380 -1.037
103 H GLY 19 H GLY 19 2.866 12.194 0.902
104 1HA GLY 19 1HA GLY 19 3.986 12.146 2.937
105 2HA GLY 19 2HA GLY 19 2.696 11.178 3.664
106 H ASN 20 H ASN 20 3.197 9.546 0.886
107 HA ASN 20 HA ASN 20 4.178 7.609 0.327
108 2HB ASN 20 2HB ASN 20 6.738 8.738 1.511
109 1HD2 ASN 20 1HD2 ASN 20 6.947 6.182 1.556
110 2HD2 ASN 20 2HD2 ASN 20 7.547 5.458 0.069
111 HA PRO 21 HA PRO 21 4.043 5.686 4.572
112 2HB PRO 21 2HB PRO 21 1.782 5.733 4.923
113 2HG PRO 21 2HG PRO 21 0.317 6.305 3.167
114 2HD PRO 21 2HD PRO 21 1.968 7.916 2.861
115 HA PRO 22 HA PRO 22 5.875 2.246 2.435
116 2HB PRO 22 2HB PRO 22 6.936 1.991 4.515
117 2HG PRO 22 2HG PRO 22 5.661 1.847 6.566
118 2HD PRO 22 2HD PRO 22 5.201 3.949 5.597
119 H CYS 23 H CYS 23 5.603 0.014 1.663
120 HA CYS 23 HA CYS 23 2.836 -0.970 1.585
121 2HB CYS 23 2HB CYS 23 3.632 -2.729 0.214
122 H ARG 24 H ARG 24 2.172 -2.897 2.712
123 HA ARG 24 HA ARG 24 4.103 -4.355 4.406
124 2HB ARG 24 2HB ARG 24 1.432 -3.660 5.608
125 2HG ARG 24 2HG ARG 24 3.523 -5.039 6.607
126 2HD ARG 24 2HD ARG 24 4.889 -3.738 8.063
127 HE ARG 24 HE ARG 24 4.852 -2.670 5.283
128 1HH1 ARG 24 1HH1 ARG 24 6.615 -2.552 8.345
129 2HH1 ARG 24 2HH1 ARG 24 8.108 -2.057 7.608
130 1HH2 ARG 24 1HH2 ARG 24 6.663 -2.059 4.334
131 2HH2 ARG 24 2HH2 ARG 24 8.163 -1.763 5.200
132 H ASN 25 H ASN 25 3.766 -6.530 4.072
133 HA ASN 25 HA ASN 25 3.043 -8.312 2.878
134 2HB ASN 25 2HB ASN 25 0.304 -7.461 3.889
135 1HD2 ASN 25 1HD2 ASN 25 -1.084 -9.443 4.349
136 2HD2 ASN 25 2HD2 ASN 25 -0.988 -10.762 3.197
137 H GLY 26 H GLY 26 3.582 -6.085 1.440
138 1HA GLY 26 1HA GLY 26 3.339 -4.998 -0.504
139 2HA GLY 26 2HA GLY 26 2.542 -6.451 -1.113
140 H PHE 27 H PHE 27 1.072 -4.601 1.571
141 HA PHE 27 HA PHE 27 -0.981 -3.476 -0.278
142 2HB PHE 27 2HB PHE 27 -2.390 -3.356 1.736
143 HD1 PHE 27 HD1 PHE 27 -3.247 -4.615 -0.417
144 HD2 PHE 27 HD2 PHE 27 -1.552 -6.440 3.085
145 HE1 PHE 27 HE1 PHE 27 -4.765 -6.544 -0.689
146 HE2 PHE 27 HE2 PHE 27 -3.014 -8.416 2.766
147 HZ PHE 27 HZ PHE 27 -4.654 -8.454 0.897
148 H CYS 28 H CYS 28 -1.333 -1.221 -0.140
149 HA CYS 28 HA CYS 28 0.865 0.269 0.982
150 2HB CYS 28 2HB CYS 28 -1.812 1.261 -0.082
151 H ALA 29 H ALA 29 1.149 0.830 3.118
152 HA ALA 29 HA ALA 29 -1.069 0.562 5.000
153 1HB ALA 29 1HB ALA 29 1.771 1.554 5.416
154 2HB ALA 29 2HB ALA 29 0.618 1.074 6.676
155 3HB ALA 29 3HB ALA 29 1.239 -0.137 5.537
156 H CYS 30 H CYS 30 -2.039 2.375 3.309
157 HA CYS 30 HA CYS 30 -1.429 5.141 4.069
158 2HB CYS 30 2HB CYS 30 -3.778 3.990 2.546
159 H THR 31 H THR 31 -1.599 4.453 6.410
160 HA THR 31 HA THR 31 -4.215 4.066 7.572
161 HB THR 31 HB THR 31 -2.126 3.390 8.696
162 HG1 THR 31 HG1 THR 31 -3.870 3.689 10.007
163 1HG2 THR 31 1HG2 THR 31 -1.638 6.370 9.150
164 2HG2 THR 31 2HG2 THR 31 -0.728 5.027 9.855
165 3HG2 THR 31 3HG2 THR 31 -0.658 5.315 8.110
Start of MODEL 3
1 1H THR 1 1H THR 1 -9.809 -11.786 4.545
2 HA THR 1 HA THR 1 -9.876 -11.845 1.597
3 HB THR 1 HB THR 1 -11.995 -12.633 2.317
4 HG1 THR 1 HG1 THR 1 -11.930 -11.393 0.467
5 1HG2 THR 1 1HG2 THR 1 -12.212 -11.534 4.538
6 2HG2 THR 1 2HG2 THR 1 -12.564 -9.998 3.717
7 3HG2 THR 1 3HG2 THR 1 -13.641 -11.379 3.504
8 HA PRO 2 HA PRO 2 -7.967 -8.187 3.590
9 2HB PRO 2 2HB PRO 2 -5.963 -9.327 3.447
10 2HG PRO 2 2HG PRO 2 -5.374 -10.617 1.496
11 2HD PRO 2 2HD PRO 2 -7.377 -11.520 2.386
12 H PHE 3 H PHE 3 -9.956 -7.273 2.470
13 HA PHE 3 HA PHE 3 -9.663 -5.737 0.049
14 2HB PHE 3 2HB PHE 3 -11.570 -4.419 0.991
15 HD1 PHE 3 HD1 PHE 3 -12.542 -7.482 2.676
16 HD2 PHE 3 HD2 PHE 3 -12.102 -5.615 -1.192
17 HE1 PHE 3 HE1 PHE 3 -14.174 -9.072 1.715
18 HE2 PHE 3 HE2 PHE 3 -13.725 -7.228 -2.148
19 HZ PHE 3 HZ PHE 3 -14.775 -8.950 -0.690
20 H ALA 4 H ALA 4 -7.361 -5.061 0.570
21 HA ALA 4 HA ALA 4 -7.439 -2.304 1.718
22 1HB ALA 4 1HB ALA 4 -6.438 -3.709 3.438
23 2HB ALA 4 2HB ALA 4 -5.321 -4.427 2.264
24 3HB ALA 4 3HB ALA 4 -5.179 -2.706 2.691
25 H ILE 5 H ILE 5 -5.868 -0.888 0.833
26 HA ILE 5 HA ILE 5 -5.642 -1.066 -1.996
27 HB ILE 5 HB ILE 5 -4.287 0.754 0.035
28 2HG1 ILE 5 2HG1 ILE 5 -6.780 0.847 0.016
29 1HG2 ILE 5 1HG2 ILE 5 -3.816 2.269 -1.835
30 2HG2 ILE 5 2HG2 ILE 5 -3.039 0.728 -2.137
31 3HG2 ILE 5 3HG2 ILE 5 -4.553 1.125 -2.980
32 1HD1 ILE 5 1HD1 ILE 5 -5.453 2.950 0.393
33 2HD1 ILE 5 2HD1 ILE 5 -5.698 3.343 -1.329
34 3HD1 ILE 5 3HD1 ILE 5 -7.090 3.183 -0.253
35 H LYS 6 H LYS 6 -4.224 -2.295 -3.141
36 HA LYS 6 HA LYS 6 -2.062 -3.611 -1.800
37 2HB LYS 6 2HB LYS 6 -1.587 -4.508 -4.147
38 2HG LYS 6 2HG LYS 6 -4.317 -4.897 -2.837
39 2HD LYS 6 2HD LYS 6 -2.622 -6.635 -4.710
40 2HE LYS 6 2HE LYS 6 -4.412 -8.351 -4.377
41 1HZ LYS 6 1HZ LYS 6 -3.073 -7.649 -1.843
42 2HZ LYS 6 2HZ LYS 6 -3.686 -9.114 -2.252
43 3HZ LYS 6 3HZ LYS 6 -2.392 -8.512 -3.064
44 H CYS 7 H CYS 7 0.137 -3.582 -2.219
45 HA CYS 7 HA CYS 7 1.390 -1.222 -3.479
46 2HB CYS 7 2HB CYS 7 1.482 -1.816 -0.503
47 H ALA 8 H ALA 8 3.129 -2.139 -4.514
48 HA ALA 8 HA ALA 8 4.576 -4.422 -3.211
49 1HB ALA 8 1HB ALA 8 4.526 -3.453 -6.099
50 2HB ALA 8 2HB ALA 8 5.500 -4.795 -5.458
51 3HB ALA 8 3HB ALA 8 3.727 -4.906 -5.465
52 H THR 9 H THR 9 4.780 -1.196 -4.679
53 HA THR 9 HA THR 9 7.663 -0.944 -3.938
54 HB THR 9 HB THR 9 7.664 0.729 -5.785
55 HG1 THR 9 HG1 THR 9 4.974 -0.199 -6.164
56 1HG2 THR 9 1HG2 THR 9 6.588 -1.991 -6.663
57 2HG2 THR 9 2HG2 THR 9 7.520 -0.842 -7.640
58 3HG2 THR 9 3HG2 THR 9 8.278 -1.634 -6.245
59 H ASP 10 H ASP 10 8.366 1.301 -3.462
60 HA ASP 10 HA ASP 10 6.786 2.796 -1.570
61 2HB ASP 10 2HB ASP 10 9.269 2.856 -1.631
62 H ALA 11 H ALA 11 7.656 2.983 -5.002
63 HA ALA 11 HA ALA 11 6.305 5.185 -5.871
64 1HB ALA 11 1HB ALA 11 6.171 4.160 -8.081
65 2HB ALA 11 2HB ALA 11 7.723 3.792 -7.302
66 3HB ALA 11 3HB ALA 11 6.454 2.554 -7.389
67 H ASP 12 H ASP 12 4.733 1.925 -5.586
68 HA ASP 12 HA ASP 12 2.145 2.534 -6.397
69 2HB ASP 12 2HB ASP 12 1.386 0.999 -4.456
70 H CYS 13 H CYS 13 3.407 2.838 -3.061
71 HA CYS 13 HA CYS 13 0.949 4.040 -2.187
72 2HB CYS 13 2HB CYS 13 3.246 4.465 -0.390
73 H SER 14 H SER 14 4.049 5.373 -3.181
74 HA SER 14 HA SER 14 3.356 8.133 -2.674
75 2HB SER 14 2HB SER 14 5.417 7.122 -4.662
76 HG SER 14 HG SER 14 5.206 9.344 -2.891
77 H ARG 15 H ARG 15 1.271 6.824 -4.043
78 HA ARG 15 HA ARG 15 0.642 8.751 -6.070
79 2HB ARG 15 2HB ARG 15 -0.176 7.079 -7.730
80 2HG ARG 15 2HG ARG 15 1.929 6.154 -8.658
81 2HD ARG 15 2HD ARG 15 2.124 9.049 -7.745
82 HE ARG 15 HE ARG 15 4.098 7.481 -9.000
83 1HH1 ARG 15 1HH1 ARG 15 2.482 10.576 -9.371
84 2HH1 ARG 15 2HH1 ARG 15 3.819 11.392 -10.124
85 1HH2 ARG 15 1HH2 ARG 15 5.916 8.505 -9.995
86 2HH2 ARG 15 2HH2 ARG 15 5.833 10.164 -10.488
87 H LYS 16 H LYS 16 -0.178 5.592 -4.558
88 HA LYS 16 HA LYS 16 -3.000 6.087 -4.612
89 2HB LYS 16 2HB LYS 16 -3.116 4.022 -3.253
90 2HG LYS 16 2HG LYS 16 -1.206 3.998 -5.626
91 2HD LYS 16 2HD LYS 16 -2.798 1.611 -4.670
92 2HE LYS 16 2HE LYS 16 -0.196 1.960 -6.243
93 1HZ LYS 16 1HZ LYS 16 -0.087 -0.208 -6.483
94 2HZ LYS 16 2HZ LYS 16 -0.809 -0.233 -5.014
95 3HZ LYS 16 3HZ LYS 16 -1.715 -0.498 -6.359
96 H CYS 17 H CYS 17 -0.539 6.652 -2.033
97 HA CYS 17 HA CYS 17 -2.614 8.043 -0.458
98 2HB CYS 17 2HB CYS 17 -1.133 5.607 0.540
99 HA PRO 18 HA PRO 18 1.154 10.383 -0.667
100 2HB PRO 18 2HB PRO 18 -0.200 12.174 -1.222
101 2HG PRO 18 2HG PRO 18 -2.300 12.548 -0.107
102 2HD PRO 18 2HD PRO 18 -2.340 10.355 -1.046
103 H GLY 19 H GLY 19 2.583 11.776 0.756
104 1HA GLY 19 1HA GLY 19 3.805 12.087 2.691
105 2HA GLY 19 2HA GLY 19 2.575 11.238 3.637
106 H ASN 20 H ASN 20 3.619 9.595 0.796
107 HA ASN 20 HA ASN 20 4.408 7.466 0.594
108 2HB ASN 20 2HB ASN 20 6.923 7.532 0.759
109 1HD2 ASN 20 1HD2 ASN 20 8.060 8.278 -1.122
110 2HD2 ASN 20 2HD2 ASN 20 7.113 8.987 -2.427
111 HA PRO 21 HA PRO 21 4.633 5.719 4.863
112 2HB PRO 21 2HB PRO 21 2.411 5.985 5.475
113 2HG PRO 21 2HG PRO 21 0.726 6.373 3.836
114 2HD PRO 21 2HD PRO 21 2.305 7.973 3.290
115 HA PRO 22 HA PRO 22 6.138 2.476 2.264
116 2HB PRO 22 2HB PRO 22 7.604 2.094 4.042
117 2HG PRO 22 2HG PRO 22 6.805 1.924 6.314
118 2HD PRO 22 2HD PRO 22 6.206 4.061 5.461
119 H CYS 23 H CYS 23 5.852 0.122 1.644
120 HA CYS 23 HA CYS 23 3.050 -0.739 1.734
121 2HB CYS 23 2HB CYS 23 3.760 -2.683 0.553
122 H ARG 24 H ARG 24 2.269 -1.765 3.476
123 HA ARG 24 HA ARG 24 3.868 -3.481 5.256
124 2HB ARG 24 2HB ARG 24 0.856 -3.279 4.817
125 2HG ARG 24 2HG ARG 24 2.538 -4.529 7.052
126 2HD ARG 24 2HD ARG 24 0.334 -5.233 7.958
127 HE ARG 24 HE ARG 24 1.386 -2.635 8.165
128 1HH1 ARG 24 1HH1 ARG 24 -1.708 -4.248 8.626
129 2HH1 ARG 24 2HH1 ARG 24 -2.308 -3.136 9.818
130 1HH2 ARG 24 1HH2 ARG 24 0.633 -1.117 9.747
131 2HH2 ARG 24 2HH2 ARG 24 -0.928 -1.308 10.469
132 H ASN 25 H ASN 25 4.955 -4.291 3.374
133 HA ASN 25 HA ASN 25 5.199 -5.576 1.422
134 2HB ASN 25 2HB ASN 25 5.465 -7.924 2.240
135 1HD2 ASN 25 1HD2 ASN 25 5.942 -5.911 5.149
136 2HD2 ASN 25 2HD2 ASN 25 7.663 -5.684 4.877
137 H GLY 26 H GLY 26 3.297 -5.021 0.119
138 1HA GLY 26 1HA GLY 26 1.983 -6.438 -1.391
139 2HA GLY 26 2HA GLY 26 1.260 -7.230 0.013
140 H PHE 27 H PHE 27 1.130 -4.646 1.578
141 HA PHE 27 HA PHE 27 -1.056 -3.277 0.082
142 2HB PHE 27 2HB PHE 27 -2.418 -3.380 2.106
143 HD1 PHE 27 HD1 PHE 27 -0.780 -6.683 2.428
144 HD2 PHE 27 HD2 PHE 27 -3.751 -4.419 0.282
145 HE1 PHE 27 HE1 PHE 27 -1.852 -8.788 1.691
146 HE2 PHE 27 HE2 PHE 27 -4.943 -6.513 -0.284
147 HZ PHE 27 HZ PHE 27 -3.967 -8.717 0.399
148 H CYS 28 H CYS 28 -1.347 -1.121 0.511
149 HA CYS 28 HA CYS 28 0.931 0.411 1.364
150 2HB CYS 28 2HB CYS 28 -1.239 2.117 1.577
151 H ALA 29 H ALA 29 1.578 0.929 3.483
152 HA ALA 29 HA ALA 29 -0.262 0.434 5.736
153 1HB ALA 29 1HB ALA 29 1.599 1.193 7.098
154 2HB ALA 29 2HB ALA 29 2.193 0.024 5.903
155 3HB ALA 29 3HB ALA 29 2.477 1.759 5.667
156 H CYS 30 H CYS 30 -1.681 2.034 4.152
157 HA CYS 30 HA CYS 30 -0.883 4.725 3.942
158 2HB CYS 30 2HB CYS 30 -3.651 3.520 3.744
159 H THR 31 H THR 31 -1.087 6.532 5.211
160 HA THR 31 HA THR 31 -1.890 6.428 7.947
161 HB THR 31 HB THR 31 -1.757 9.023 7.425
162 HG1 THR 31 HG1 THR 31 -0.607 9.349 5.427
163 1HG2 THR 31 1HG2 THR 31 0.054 7.748 8.539
164 2HG2 THR 31 2HG2 THR 31 0.648 7.189 6.961
165 3HG2 THR 31 3HG2 THR 31 0.724 8.913 7.384
Start of MODEL 4
1 1H THR 1 1H THR 1 -13.534 -10.816 2.209
2 HA THR 1 HA THR 1 -14.594 -9.845 -0.301
3 HB THR 1 HB THR 1 -14.771 -7.743 1.328
4 HG1 THR 1 HG1 THR 1 -14.890 -8.596 3.528
5 1HG2 THR 1 1HG2 THR 1 -16.709 -9.111 0.592
6 2HG2 THR 1 2HG2 THR 1 -16.344 -10.310 1.851
7 3HG2 THR 1 3HG2 THR 1 -16.851 -8.666 2.301
8 HA PRO 2 HA PRO 2 -10.758 -7.964 -1.513
9 2HB PRO 2 2HB PRO 2 -11.801 -7.296 -3.470
10 2HG PRO 2 2HG PRO 2 -14.055 -6.469 -3.465
11 2HD PRO 2 2HD PRO 2 -14.101 -8.601 -2.403
12 H PHE 3 H PHE 3 -9.277 -6.775 -0.358
13 HA PHE 3 HA PHE 3 -10.004 -4.408 1.188
14 2HB PHE 3 2HB PHE 3 -8.618 -5.846 3.095
15 HD1 PHE 3 HD1 PHE 3 -12.001 -7.226 2.711
16 HD2 PHE 3 HD2 PHE 3 -9.657 -3.959 4.281
17 HE1 PHE 3 HE1 PHE 3 -13.887 -6.560 4.173
18 HE2 PHE 3 HE2 PHE 3 -11.546 -3.307 5.740
19 HZ PHE 3 HZ PHE 3 -13.665 -4.606 5.692
20 H ALA 4 H ALA 4 -8.099 -3.388 1.961
21 HA ALA 4 HA ALA 4 -5.987 -2.774 2.164
22 1HB ALA 4 1HB ALA 4 -4.244 -4.397 2.313
23 2HB ALA 4 2HB ALA 4 -5.716 -5.047 3.041
24 3HB ALA 4 3HB ALA 4 -5.204 -5.609 1.439
25 H ILE 5 H ILE 5 -5.279 -1.275 0.849
26 HA ILE 5 HA ILE 5 -5.263 -1.362 -1.995
27 HB ILE 5 HB ILE 5 -3.852 0.431 0.026
28 2HG1 ILE 5 2HG1 ILE 5 -6.356 0.420 0.125
29 1HG2 ILE 5 1HG2 ILE 5 -3.554 2.040 -1.812
30 2HG2 ILE 5 2HG2 ILE 5 -2.714 0.548 -2.174
31 3HG2 ILE 5 3HG2 ILE 5 -4.279 0.885 -2.955
32 1HD1 ILE 5 1HD1 ILE 5 -6.742 2.757 0.020
33 2HD1 ILE 5 2HD1 ILE 5 -5.073 2.537 0.579
34 3HD1 ILE 5 3HD1 ILE 5 -5.407 3.029 -1.100
35 H LYS 6 H LYS 6 -3.961 -2.741 -3.135
36 HA LYS 6 HA LYS 6 -1.614 -3.975 -2.120
37 2HB LYS 6 2HB LYS 6 -1.275 -4.679 -4.503
38 2HG LYS 6 2HG LYS 6 -4.094 -4.962 -3.354
39 2HD LYS 6 2HD LYS 6 -2.568 -6.656 -5.383
40 2HE LYS 6 2HE LYS 6 -5.381 -6.933 -4.194
41 1HZ LYS 6 1HZ LYS 6 -5.444 -8.962 -5.444
42 2HZ LYS 6 2HZ LYS 6 -5.259 -7.694 -6.471
43 3HZ LYS 6 3HZ LYS 6 -3.978 -8.670 -6.121
44 H CYS 7 H CYS 7 0.564 -3.624 -2.390
45 HA CYS 7 HA CYS 7 1.552 -1.106 -3.614
46 2HB CYS 7 2HB CYS 7 1.699 -1.877 -0.676
47 H ALA 8 H ALA 8 3.452 -1.689 -4.666
48 HA ALA 8 HA ALA 8 5.103 -3.911 -3.526
49 1HB ALA 8 1HB ALA 8 5.088 -2.618 -6.282
50 2HB ALA 8 2HB ALA 8 6.170 -3.914 -5.733
51 3HB ALA 8 3HB ALA 8 4.425 -4.212 -5.865
52 H THR 9 H THR 9 4.998 -0.511 -4.552
53 HA THR 9 HA THR 9 7.803 -0.074 -3.598
54 HB THR 9 HB THR 9 7.788 1.702 -5.350
55 HG1 THR 9 HG1 THR 9 5.246 0.544 -6.013
56 1HG2 THR 9 1HG2 THR 9 7.964 0.236 -7.283
57 2HG2 THR 9 2HG2 THR 9 8.676 -0.557 -5.864
58 3HG2 THR 9 3HG2 THR 9 7.072 -1.051 -6.451
59 H ASP 10 H ASP 10 8.342 2.004 -2.826
60 HA ASP 10 HA ASP 10 6.750 3.689 -1.222
61 2HB ASP 10 2HB ASP 10 9.108 4.018 -1.333
62 H ALA 11 H ALA 11 7.538 4.179 -4.706
63 HA ALA 11 HA ALA 11 5.787 6.010 -5.453
64 1HB ALA 11 1HB ALA 11 5.825 5.084 -7.710
65 2HB ALA 11 2HB ALA 11 7.416 4.939 -6.936
66 3HB ALA 11 3HB ALA 11 6.368 3.514 -7.089
67 H ASP 12 H ASP 12 4.721 2.535 -5.193
68 HA ASP 12 HA ASP 12 2.064 2.889 -6.083
69 2HB ASP 12 2HB ASP 12 1.472 1.132 -4.308
70 H CYS 13 H CYS 13 3.281 3.114 -2.712
71 HA CYS 13 HA CYS 13 0.828 4.078 -1.598
72 2HB CYS 13 2HB CYS 13 2.482 5.263 0.065
73 H SER 14 H SER 14 3.724 5.869 -2.697
74 HA SER 14 HA SER 14 2.502 8.454 -2.384
75 2HB SER 14 2HB SER 14 4.961 7.957 -4.066
76 HG SER 14 HG SER 14 5.570 9.855 -3.029
77 H ARG 15 H ARG 15 0.879 6.921 -4.014
78 HA ARG 15 HA ARG 15 0.377 8.720 -6.251
79 2HB ARG 15 2HB ARG 15 -0.209 6.669 -7.693
80 2HG ARG 15 2HG ARG 15 2.730 7.223 -7.141
81 2HD ARG 15 2HD ARG 15 1.421 5.768 -9.490
82 HE ARG 15 HE ARG 15 4.307 5.702 -9.123
83 1HH1 ARG 15 1HH1 ARG 15 1.733 7.610 -10.551
84 2HH1 ARG 15 2HH1 ARG 15 2.701 8.319 -11.810
85 1HH2 ARG 15 1HH2 ARG 15 5.666 6.634 -10.747
86 2HH2 ARG 15 2HH2 ARG 15 5.017 7.753 -11.901
87 H LYS 16 H LYS 16 -0.443 5.674 -4.524
88 HA LYS 16 HA LYS 16 -3.292 6.010 -4.821
89 2HB LYS 16 2HB LYS 16 -3.323 4.017 -3.301
90 2HG LYS 16 2HG LYS 16 -1.531 4.086 -5.766
91 2HD LYS 16 2HD LYS 16 -2.361 1.609 -4.226
92 2HE LYS 16 2HE LYS 16 -1.063 2.035 -6.956
93 1HZ LYS 16 1HZ LYS 16 -1.001 -0.360 -5.245
94 2HZ LYS 16 2HZ LYS 16 -0.891 -0.434 -6.894
95 3HZ LYS 16 3HZ LYS 16 0.228 0.365 -6.067
96 H CYS 17 H CYS 17 -0.960 7.152 -2.400
97 HA CYS 17 HA CYS 17 -3.044 8.705 -1.109
98 2HB CYS 17 2HB CYS 17 -1.835 6.261 0.161
99 HA PRO 18 HA PRO 18 0.559 11.253 -1.004
100 2HB PRO 18 2HB PRO 18 -0.906 13.046 -0.907
101 2HG PRO 18 2HG PRO 18 -2.847 13.003 0.523
102 2HD PRO 18 2HD PRO 18 -2.943 11.131 -0.958
103 H GLY 19 H GLY 19 2.206 12.228 0.524
104 1HA GLY 19 1HA GLY 19 3.370 12.360 2.512
105 2HA GLY 19 2HA GLY 19 2.262 11.225 3.281
106 H ASN 20 H ASN 20 2.922 9.514 0.646
107 HA ASN 20 HA ASN 20 4.148 7.678 0.227
108 2HB ASN 20 2HB ASN 20 6.503 9.386 1.118
109 1HD2 ASN 20 1HD2 ASN 20 8.555 8.711 0.202
110 2HD2 ASN 20 2HD2 ASN 20 8.742 7.090 -0.451
111 HA PRO 21 HA PRO 21 4.713 6.120 4.592
112 2HB PRO 21 2HB PRO 21 2.512 6.167 5.286
113 2HG PRO 21 2HG PRO 21 0.744 6.384 3.739
114 2HD PRO 21 2HD PRO 21 2.178 8.091 3.069
115 HA PRO 22 HA PRO 22 6.334 2.638 2.387
116 2HB PRO 22 2HB PRO 22 7.582 2.346 4.345
117 2HG PRO 22 2HG PRO 22 6.519 2.239 6.510
118 2HD PRO 22 2HD PRO 22 5.993 4.347 5.563
119 H CYS 23 H CYS 23 6.028 0.369 1.690
120 HA CYS 23 HA CYS 23 3.256 -0.631 1.812
121 2HB CYS 23 2HB CYS 23 4.016 -2.487 0.517
122 H ARG 24 H ARG 24 2.695 -2.471 3.040
123 HA ARG 24 HA ARG 24 4.725 -3.789 4.750
124 2HB ARG 24 2HB ARG 24 2.025 -2.699 5.674
125 2HG ARG 24 2HG ARG 24 4.215 -4.206 7.182
126 2HD ARG 24 2HD ARG 24 1.594 -2.940 8.145
127 HE ARG 24 HE ARG 24 3.450 -4.050 10.094
128 1HH1 ARG 24 1HH1 ARG 24 0.706 -4.876 8.050
129 2HH1 ARG 24 2HH1 ARG 24 0.111 -6.158 9.059
130 1HH2 ARG 24 1HH2 ARG 24 2.718 -5.762 11.468
131 2HH2 ARG 24 2HH2 ARG 24 1.309 -6.679 11.048
132 H ASN 25 H ASN 25 4.528 -5.946 4.370
133 HA ASN 25 HA ASN 25 3.794 -7.897 3.488
134 2HB ASN 25 2HB ASN 25 1.151 -6.987 4.708
135 1HD2 ASN 25 1HD2 ASN 25 3.213 -9.953 4.108
136 2HD2 ASN 25 2HD2 ASN 25 1.820 -10.969 3.804
137 H GLY 26 H GLY 26 3.800 -5.670 1.656
138 1HA GLY 26 1HA GLY 26 3.344 -5.445 -0.562
139 2HA GLY 26 2HA GLY 26 2.300 -6.862 -0.512
140 H PHE 27 H PHE 27 1.489 -4.375 1.831
141 HA PHE 27 HA PHE 27 -0.559 -3.216 0.012
142 2HB PHE 27 2HB PHE 27 -2.124 -3.268 1.892
143 HD1 PHE 27 HD1 PHE 27 -0.722 -6.437 2.942
144 HD2 PHE 27 HD2 PHE 27 -2.904 -4.519 -0.240
145 HE1 PHE 27 HE1 PHE 27 -1.562 -8.633 2.198
146 HE2 PHE 27 HE2 PHE 27 -3.859 -6.705 -0.901
147 HZ PHE 27 HZ PHE 27 -3.156 -8.781 0.287
148 H CYS 28 H CYS 28 -1.022 -1.005 0.362
149 HA CYS 28 HA CYS 28 1.250 0.454 1.336
150 2HB CYS 28 2HB CYS 28 -1.493 1.465 0.493
151 H ALA 29 H ALA 29 1.706 1.056 3.426
152 HA ALA 29 HA ALA 29 -0.318 0.700 5.494
153 1HB ALA 29 1HB ALA 29 1.495 1.206 7.021
154 2HB ALA 29 2HB ALA 29 2.066 0.069 5.781
155 3HB ALA 29 3HB ALA 29 2.512 1.789 5.686
156 H CYS 30 H CYS 30 -1.280 2.594 3.745
157 HA CYS 30 HA CYS 30 -1.029 5.248 5.099
158 2HB CYS 30 2HB CYS 30 -2.425 4.369 2.541
159 H THR 31 H THR 31 -3.364 2.688 4.260
160 HA THR 31 HA THR 31 -5.535 2.378 4.827
161 HB THR 31 HB THR 31 -4.314 1.228 6.565
162 HG1 THR 31 HG1 THR 31 -6.475 2.339 7.933
163 1HG2 THR 31 1HG2 THR 31 -4.576 3.761 8.249
164 2HG2 THR 31 2HG2 THR 31 -4.141 2.154 8.865
165 3HG2 THR 31 3HG2 THR 31 -3.075 2.969 7.721
Start of MODEL 5
1 1H THR 1 1H THR 1 -8.995 -9.234 -3.033
2 HA THR 1 HA THR 1 -11.423 -9.952 -1.723
3 HB THR 1 HB THR 1 -9.888 -10.506 0.071
4 HG1 THR 1 HG1 THR 1 -10.739 -9.148 1.632
5 1HG2 THR 1 1HG2 THR 1 -8.810 -7.655 -0.085
6 2HG2 THR 1 2HG2 THR 1 -8.383 -8.881 1.121
7 3HG2 THR 1 3HG2 THR 1 -7.926 -9.114 -0.573
8 HA PRO 2 HA PRO 2 -11.856 -5.739 -3.283
9 2HB PRO 2 2HB PRO 2 -14.094 -6.374 -3.536
10 2HG PRO 2 2HG PRO 2 -15.313 -7.455 -1.755
11 2HD PRO 2 2HD PRO 2 -13.476 -8.845 -2.320
12 H PHE 3 H PHE 3 -9.931 -5.654 -1.479
13 HA PHE 3 HA PHE 3 -10.251 -3.282 0.084
14 2HB PHE 3 2HB PHE 3 -10.189 -5.976 1.527
15 HD1 PHE 3 HD1 PHE 3 -8.713 -5.910 3.387
16 HD2 PHE 3 HD2 PHE 3 -10.973 -2.379 2.365
17 HE1 PHE 3 HE1 PHE 3 -7.641 -4.682 5.249
18 HE2 PHE 3 HE2 PHE 3 -9.890 -1.154 4.232
19 HZ PHE 3 HZ PHE 3 -8.212 -2.298 5.665
20 H ALA 4 H ALA 4 -8.165 -3.094 1.479
21 HA ALA 4 HA ALA 4 -5.929 -3.016 1.644
22 1HB ALA 4 1HB ALA 4 -4.781 -5.105 1.777
23 2HB ALA 4 2HB ALA 4 -6.401 -5.298 2.441
24 3HB ALA 4 3HB ALA 4 -6.038 -5.935 0.826
25 H ILE 5 H ILE 5 -5.601 -1.503 0.037
26 HA ILE 5 HA ILE 5 -5.188 -1.893 -2.724
27 HB ILE 5 HB ILE 5 -4.031 0.107 -0.744
28 2HG1 ILE 5 2HG1 ILE 5 -6.658 -0.132 -1.253
29 1HG2 ILE 5 1HG2 ILE 5 -3.676 1.589 -2.738
30 2HG2 ILE 5 2HG2 ILE 5 -2.630 0.177 -2.735
31 3HG2 ILE 5 3HG2 ILE 5 -4.058 0.212 -3.791
32 1HD1 ILE 5 1HD1 ILE 5 -6.928 2.272 -0.935
33 2HD1 ILE 5 2HD1 ILE 5 -5.703 1.607 0.160
34 3HD1 ILE 5 3HD1 ILE 5 -5.201 2.536 -1.264
35 H LYS 6 H LYS 6 -3.694 -3.292 -3.631
36 HA LYS 6 HA LYS 6 -1.310 -4.064 -2.235
37 2HB LYS 6 2HB LYS 6 -0.703 -4.961 -4.656
38 2HG LYS 6 2HG LYS 6 -2.143 -6.942 -4.388
39 2HD LYS 6 2HD LYS 6 -1.039 -6.042 -1.721
40 2HE LYS 6 2HE LYS 6 -0.637 -8.822 -2.697
41 1HZ LYS 6 1HZ LYS 6 -1.161 -7.645 -0.032
42 2HZ LYS 6 2HZ LYS 6 -0.712 -9.186 -0.313
43 3HZ LYS 6 3HZ LYS 6 0.340 -7.951 -0.530
44 H CYS 7 H CYS 7 0.862 -3.845 -2.948
45 HA CYS 7 HA CYS 7 1.703 -1.242 -4.059
46 2HB CYS 7 2HB CYS 7 1.761 -2.083 -1.122
47 H ALA 8 H ALA 8 3.639 -1.795 -5.097
48 HA ALA 8 HA ALA 8 5.232 -4.103 -4.038
49 1HB ALA 8 1HB ALA 8 4.620 -4.238 -6.407
50 2HB ALA 8 2HB ALA 8 5.321 -2.635 -6.703
51 3HB ALA 8 3HB ALA 8 6.366 -3.982 -6.210
52 H THR 9 H THR 9 5.180 -0.640 -4.782
53 HA THR 9 HA THR 9 7.950 -0.288 -3.702
54 HB THR 9 HB THR 9 8.083 1.510 -5.422
55 HG1 THR 9 HG1 THR 9 5.548 0.438 -6.235
56 1HG2 THR 9 1HG2 THR 9 8.331 0.094 -7.376
57 2HG2 THR 9 2HG2 THR 9 8.927 -0.772 -5.945
58 3HG2 THR 9 3HG2 THR 9 7.347 -1.187 -6.646
59 H ASP 10 H ASP 10 8.459 1.742 -2.873
60 HA ASP 10 HA ASP 10 6.844 3.467 -1.358
61 2HB ASP 10 2HB ASP 10 9.218 3.710 -1.352
62 H ALA 11 H ALA 11 7.800 3.907 -4.815
63 HA ALA 11 HA ALA 11 6.203 5.828 -5.647
64 1HB ALA 11 1HB ALA 11 7.773 4.634 -7.078
65 2HB ALA 11 2HB ALA 11 6.616 3.301 -7.269
66 3HB ALA 11 3HB ALA 11 6.213 4.913 -7.879
67 H ASP 12 H ASP 12 4.916 2.427 -5.488
68 HA ASP 12 HA ASP 12 2.347 2.978 -6.473
69 2HB ASP 12 2HB ASP 12 1.552 1.056 -5.098
70 H CYS 13 H CYS 13 3.368 3.026 -3.025
71 HA CYS 13 HA CYS 13 0.882 4.067 -2.010
72 2HB CYS 13 2HB CYS 13 2.443 5.104 -0.215
73 H SER 14 H SER 14 3.885 5.657 -3.013
74 HA SER 14 HA SER 14 3.013 8.354 -2.576
75 2HB SER 14 2HB SER 14 5.337 7.259 -4.198
76 HG SER 14 HG SER 14 4.878 9.516 -4.375
77 H ARG 15 H ARG 15 1.174 7.023 -4.307
78 HA ARG 15 HA ARG 15 1.073 8.980 -6.529
79 2HB ARG 15 2HB ARG 15 -0.112 7.112 -7.857
80 2HG ARG 15 2HG ARG 15 2.107 5.831 -8.347
81 2HD ARG 15 2HD ARG 15 2.019 8.865 -8.678
82 HE ARG 15 HE ARG 15 4.033 8.493 -9.629
83 1HH1 ARG 15 1HH1 ARG 15 1.936 5.808 -10.490
84 2HH1 ARG 15 2HH1 ARG 15 3.027 5.078 -11.626
85 1HH2 ARG 15 1HH2 ARG 15 5.535 7.571 -11.132
86 2HH2 ARG 15 2HH2 ARG 15 5.137 6.121 -11.992
87 H LYS 16 H LYS 16 -0.634 6.392 -4.700
88 HA LYS 16 HA LYS 16 -3.168 7.831 -4.948
89 2HB LYS 16 2HB LYS 16 -2.546 5.266 -3.443
90 2HG LYS 16 2HG LYS 16 -5.085 6.370 -4.740
91 2HD LYS 16 2HD LYS 16 -4.597 3.837 -3.103
92 2HE LYS 16 2HE LYS 16 -6.923 3.253 -3.706
93 1HZ LYS 16 1HZ LYS 16 -8.094 4.862 -2.410
94 2HZ LYS 16 2HZ LYS 16 -6.647 4.563 -1.688
95 3HZ LYS 16 3HZ LYS 16 -6.879 5.956 -2.533
96 H CYS 17 H CYS 17 -0.711 7.270 -2.413
97 HA CYS 17 HA CYS 17 -2.410 8.726 -0.433
98 2HB CYS 17 2HB CYS 17 -0.813 6.197 0.004
99 HA PRO 18 HA PRO 18 1.624 10.838 -0.541
100 2HB PRO 18 2HB PRO 18 0.411 12.763 -1.036
101 2HG PRO 18 2HG PRO 18 -1.702 13.224 0.014
102 2HD PRO 18 2HD PRO 18 -1.943 11.118 -1.065
103 H GLY 19 H GLY 19 2.878 12.123 1.298
104 1HA GLY 19 1HA GLY 19 3.958 11.977 3.326
105 2HA GLY 19 2HA GLY 19 2.536 11.185 4.028
106 H ASN 20 H ASN 20 3.988 9.995 1.104
107 HA ASN 20 HA ASN 20 4.447 7.756 0.636
108 2HB ASN 20 2HB ASN 20 6.935 7.736 0.719
109 1HD2 ASN 20 1HD2 ASN 20 7.713 8.453 -1.287
110 2HD2 ASN 20 2HD2 ASN 20 6.697 9.495 -2.283
111 HA PRO 21 HA PRO 21 4.536 5.497 4.658
112 2HB PRO 21 2HB PRO 21 2.249 5.546 5.029
113 2HG PRO 21 2HG PRO 21 0.723 5.937 3.233
114 2HD PRO 21 2HD PRO 21 2.252 7.696 3.090
115 HA PRO 22 HA PRO 22 6.300 2.201 2.192
116 2HB PRO 22 2HB PRO 22 7.501 1.824 4.180
117 2HG PRO 22 2HG PRO 22 6.369 1.591 6.304
118 2HD PRO 22 2HD PRO 22 5.893 3.751 5.464
119 H CYS 23 H CYS 23 6.022 -0.147 1.583
120 HA CYS 23 HA CYS 23 3.203 -1.032 1.512
121 2HB CYS 23 2HB CYS 23 3.935 -2.812 0.134
122 H ARG 24 H ARG 24 2.519 -2.802 2.783
123 HA ARG 24 HA ARG 24 4.477 -4.247 4.503
124 2HB ARG 24 2HB ARG 24 1.798 -3.069 5.372
125 2HG ARG 24 2HG ARG 24 4.000 -4.492 6.942
126 2HD ARG 24 2HD ARG 24 1.360 -3.264 7.848
127 HE ARG 24 HE ARG 24 2.927 -5.269 9.092
128 1HH1 ARG 24 1HH1 ARG 24 1.519 -2.138 9.871
129 2HH1 ARG 24 2HH1 ARG 24 1.355 -2.437 11.575
130 1HH2 ARG 24 1HH2 ARG 24 2.734 -5.721 11.359
131 2HH2 ARG 24 2HH2 ARG 24 2.067 -4.539 12.434
132 H ASN 25 H ASN 25 4.202 -6.420 4.118
133 HA ASN 25 HA ASN 25 3.505 -8.252 2.986
134 2HB ASN 25 2HB ASN 25 0.753 -7.444 3.996
135 1HD2 ASN 25 1HD2 ASN 25 -0.580 -9.447 4.518
136 2HD2 ASN 25 2HD2 ASN 25 -0.452 -10.797 3.405
137 H GLY 26 H GLY 26 3.967 -6.015 1.501
138 1HA GLY 26 1HA GLY 26 3.695 -5.027 -0.499
139 2HA GLY 26 2HA GLY 26 2.905 -6.512 -1.035
140 H PHE 27 H PHE 27 1.469 -4.570 1.612
141 HA PHE 27 HA PHE 27 -0.602 -3.516 -0.257
142 2HB PHE 27 2HB PHE 27 -2.079 -3.471 1.711
143 HD1 PHE 27 HD1 PHE 27 -1.079 -6.523 3.073
144 HD2 PHE 27 HD2 PHE 27 -2.833 -4.777 -0.437
145 HE1 PHE 27 HE1 PHE 27 -2.400 -8.590 2.709
146 HE2 PHE 27 HE2 PHE 27 -4.189 -6.814 -0.782
147 HZ PHE 27 HZ PHE 27 -3.992 -8.724 0.801
148 H CYS 28 H CYS 28 -0.981 -1.268 -0.135
149 HA CYS 28 HA CYS 28 1.235 0.238 0.922
150 2HB CYS 28 2HB CYS 28 -1.478 1.246 -0.019
151 H ALA 29 H ALA 29 1.589 0.857 3.026
152 HA ALA 29 HA ALA 29 -0.499 0.432 5.012
153 1HB ALA 29 1HB ALA 29 1.251 1.027 6.605
154 2HB ALA 29 2HB ALA 29 1.871 -0.130 5.408
155 3HB ALA 29 3HB ALA 29 2.300 1.590 5.286
156 H CYS 30 H CYS 30 -1.683 2.196 3.438
157 HA CYS 30 HA CYS 30 -1.147 4.984 4.114
158 2HB CYS 30 2HB CYS 30 -3.565 3.753 2.763
159 H THR 31 H THR 31 -1.193 4.260 6.484
160 HA THR 31 HA THR 31 -3.532 3.522 7.811
161 HB THR 31 HB THR 31 -1.319 3.424 8.819
162 HG1 THR 31 HG1 THR 31 -3.183 5.045 10.188
163 1HG2 THR 31 1HG2 THR 31 -0.229 5.404 9.775
164 2HG2 THR 31 2HG2 THR 31 -0.319 5.540 8.013
165 3HG2 THR 31 3HG2 THR 31 -1.437 6.469 9.038
Start of MODEL 6
1 1H THR 1 1H THR 1 -7.493 -7.793 6.274
2 HA THR 1 HA THR 1 -10.012 -6.894 7.350
3 HB THR 1 HB THR 1 -7.968 -4.876 6.305
4 HG1 THR 1 HG1 THR 1 -7.748 -5.776 8.483
5 1HG2 THR 1 1HG2 THR 1 -10.763 -4.420 7.452
6 2HG2 THR 1 2HG2 THR 1 -9.603 -3.166 6.984
7 3HG2 THR 1 3HG2 THR 1 -10.306 -4.212 5.740
8 HA PRO 2 HA PRO 2 -10.496 -7.964 2.975
9 2HB PRO 2 2HB PRO 2 -12.507 -8.878 3.722
10 2HG PRO 2 2HG PRO 2 -13.987 -7.658 5.182
11 2HD PRO 2 2HD PRO 2 -11.915 -7.927 6.302
12 H PHE 3 H PHE 3 -9.134 -5.713 3.111
13 HA PHE 3 HA PHE 3 -9.914 -4.211 0.825
14 2HB PHE 3 2HB PHE 3 -10.068 -2.733 3.490
15 HD1 PHE 3 HD1 PHE 3 -11.541 -2.119 0.105
16 HD2 PHE 3 HD2 PHE 3 -8.678 -0.798 3.053
17 HE1 PHE 3 HE1 PHE 3 -11.150 -0.044 -1.196
18 HE2 PHE 3 HE2 PHE 3 -8.333 1.289 1.778
19 HZ PHE 3 HZ PHE 3 -9.560 1.671 -0.359
20 H ALA 4 H ALA 4 -7.858 -4.336 0.001
21 HA ALA 4 HA ALA 4 -5.539 -3.487 1.644
22 1HB ALA 4 1HB ALA 4 -5.769 -6.259 0.408
23 2HB ALA 4 2HB ALA 4 -4.422 -5.600 1.364
24 3HB ALA 4 3HB ALA 4 -5.978 -5.894 2.133
25 H ILE 5 H ILE 5 -5.195 -1.786 0.245
26 HA ILE 5 HA ILE 5 -5.214 -2.010 -2.628
27 HB ILE 5 HB ILE 5 -3.951 0.034 -0.763
28 2HG1 ILE 5 2HG1 ILE 5 -6.674 -0.441 -0.996
29 1HG2 ILE 5 1HG2 ILE 5 -4.097 1.535 -2.788
30 2HG2 ILE 5 2HG2 ILE 5 -2.931 0.227 -2.961
31 3HG2 ILE 5 3HG2 ILE 5 -4.515 0.116 -3.759
32 1HD1 ILE 5 1HD1 ILE 5 -5.199 2.179 -0.554
33 2HD1 ILE 5 2HD1 ILE 5 -6.930 1.931 -0.246
34 3HD1 ILE 5 3HD1 ILE 5 -5.720 1.012 0.671
35 H LYS 6 H LYS 6 -3.665 -3.106 -3.781
36 HA LYS 6 HA LYS 6 -1.314 -4.198 -2.656
37 2HB LYS 6 2HB LYS 6 -0.663 -4.626 -5.025
38 2HG LYS 6 2HG LYS 6 -3.521 -5.321 -4.210
39 2HD LYS 6 2HD LYS 6 -3.143 -5.752 -6.622
40 2HE LYS 6 2HE LYS 6 -0.864 -7.516 -5.575
41 1HZ LYS 6 1HZ LYS 6 -1.951 -7.347 -8.310
42 2HZ LYS 6 2HZ LYS 6 -0.620 -8.190 -7.847
43 3HZ LYS 6 3HZ LYS 6 -2.101 -8.641 -7.300
44 H CYS 7 H CYS 7 0.866 -3.739 -2.842
45 HA CYS 7 HA CYS 7 1.823 -1.150 -3.903
46 2HB CYS 7 2HB CYS 7 1.826 -1.941 -0.965
47 H ALA 8 H ALA 8 3.759 -1.752 -4.886
48 HA ALA 8 HA ALA 8 5.260 -4.101 -3.790
49 1HB ALA 8 1HB ALA 8 5.471 -2.621 -6.444
50 2HB ALA 8 2HB ALA 8 6.450 -4.012 -5.930
51 3HB ALA 8 3HB ALA 8 4.702 -4.203 -6.181
52 H THR 9 H THR 9 5.331 -0.645 -4.559
53 HA THR 9 HA THR 9 8.045 -0.339 -3.329
54 HB THR 9 HB THR 9 8.320 1.428 -5.078
55 HG1 THR 9 HG1 THR 9 5.811 0.377 -5.994
56 1HG2 THR 9 1HG2 THR 9 9.197 -0.870 -5.462
57 2HG2 THR 9 2HG2 THR 9 7.676 -1.307 -6.270
58 3HG2 THR 9 3HG2 THR 9 8.720 -0.052 -6.963
59 H ASP 10 H ASP 10 8.483 1.653 -2.375
60 HA ASP 10 HA ASP 10 6.755 3.307 -0.936
61 2HB ASP 10 2HB ASP 10 9.114 3.555 -0.727
62 H ALA 11 H ALA 11 7.957 3.933 -4.278
63 HA ALA 11 HA ALA 11 6.391 5.852 -5.196
64 1HB ALA 11 1HB ALA 11 6.562 4.947 -7.426
65 2HB ALA 11 2HB ALA 11 8.067 4.681 -6.522
66 3HB ALA 11 3HB ALA 11 6.939 3.338 -6.788
67 H ASP 12 H ASP 12 5.057 2.486 -4.816
68 HA ASP 12 HA ASP 12 2.597 3.110 -6.164
69 2HB ASP 12 2HB ASP 12 1.691 1.110 -4.993
70 H CYS 13 H CYS 13 3.516 3.160 -2.705
71 HA CYS 13 HA CYS 13 0.948 4.167 -1.800
72 2HB CYS 13 2HB CYS 13 2.421 5.233 0.050
73 H SER 14 H SER 14 4.021 5.734 -2.626
74 HA SER 14 HA SER 14 3.070 8.460 -2.464
75 2HB SER 14 2HB SER 14 5.564 7.220 -3.687
76 HG SER 14 HG SER 14 5.138 9.360 -4.356
77 H ARG 15 H ARG 15 1.235 7.450 -3.955
78 HA ARG 15 HA ARG 15 1.179 8.688 -6.526
79 2HB ARG 15 2HB ARG 15 1.540 5.658 -6.417
80 2HG ARG 15 2HG ARG 15 0.866 7.446 -8.781
81 2HD ARG 15 2HD ARG 15 2.568 5.771 -9.349
82 HE ARG 15 HE ARG 15 2.492 3.793 -8.224
83 1HH1 ARG 15 1HH1 ARG 15 -0.761 4.540 -9.295
84 2HH1 ARG 15 2HH1 ARG 15 -1.427 2.971 -8.945
85 1HH2 ARG 15 1HH2 ARG 15 1.685 1.640 -7.809
86 2HH2 ARG 15 2HH2 ARG 15 0.001 1.313 -8.005
87 H LYS 16 H LYS 16 -0.004 5.901 -4.523
88 HA LYS 16 HA LYS 16 -2.771 6.487 -5.123
89 2HB LYS 16 2HB LYS 16 -1.789 4.932 -2.704
90 2HG LYS 16 2HG LYS 16 -3.785 3.609 -4.263
91 2HD LYS 16 2HD LYS 16 -3.551 3.521 -1.752
92 2HE LYS 16 2HE LYS 16 -5.095 6.153 -1.987
93 1HZ LYS 16 1HZ LYS 16 -6.040 4.755 -0.262
94 2HZ LYS 16 2HZ LYS 16 -4.587 4.594 0.494
95 3HZ LYS 16 3HZ LYS 16 -5.273 6.062 0.365
96 H CYS 17 H CYS 17 -0.465 7.557 -2.600
97 HA CYS 17 HA CYS 17 -2.399 9.455 -1.494
98 2HB CYS 17 2HB CYS 17 -1.664 6.822 -0.292
99 HA PRO 18 HA PRO 18 1.466 11.536 -0.901
100 2HB PRO 18 2HB PRO 18 0.110 13.441 -0.999
101 2HG PRO 18 2HG PRO 18 -1.920 13.606 0.302
102 2HD PRO 18 2HD PRO 18 -2.111 11.751 -1.165
103 H GLY 19 H GLY 19 2.846 12.516 0.985
104 1HA GLY 19 1HA GLY 19 3.770 12.430 3.085
105 2HA GLY 19 2HA GLY 19 2.429 11.430 3.653
106 H ASN 20 H ASN 20 3.613 9.980 0.896
107 HA ASN 20 HA ASN 20 4.692 8.012 0.531
108 2HB ASN 20 2HB ASN 20 7.162 8.303 0.910
109 1HD2 ASN 20 1HD2 ASN 20 7.827 8.727 -1.158
110 2HD2 ASN 20 2HD2 ASN 20 6.885 9.758 -2.229
111 HA PRO 21 HA PRO 21 4.705 5.986 4.714
112 2HB PRO 21 2HB PRO 21 2.463 6.221 5.243
113 2HG PRO 21 2HG PRO 21 0.849 6.615 3.580
114 2HD PRO 21 2HD PRO 21 2.396 8.228 3.098
115 HA PRO 22 HA PRO 22 6.176 2.574 2.326
116 2HB PRO 22 2HB PRO 22 7.388 2.218 4.305
117 2HG PRO 22 2HG PRO 22 6.270 1.998 6.440
118 2HD PRO 22 2HD PRO 22 5.817 4.154 5.583
119 H CYS 23 H CYS 23 5.899 0.289 1.665
120 HA CYS 23 HA CYS 23 3.126 -0.701 1.636
121 2HB CYS 23 2HB CYS 23 3.963 -2.556 0.386
122 H ARG 24 H ARG 24 2.530 -2.622 2.809
123 HA ARG 24 HA ARG 24 4.563 -3.949 4.475
124 2HB ARG 24 2HB ARG 24 1.854 -3.054 5.560
125 2HG ARG 24 2HG ARG 24 4.257 -4.448 6.836
126 2HD ARG 24 2HD ARG 24 1.631 -3.532 8.077
127 HE ARG 24 HE ARG 24 3.421 -5.548 8.929
128 1HH1 ARG 24 1HH1 ARG 24 1.936 -2.629 10.220
129 2HH1 ARG 24 2HH1 ARG 24 1.977 -3.132 11.882
130 1HH2 ARG 24 1HH2 ARG 24 3.500 -6.270 11.128
131 2HH2 ARG 24 2HH2 ARG 24 2.891 -5.269 12.402
132 H ASN 25 H ASN 25 4.348 -6.115 4.202
133 HA ASN 25 HA ASN 25 3.719 -8.044 3.223
134 2HB ASN 25 2HB ASN 25 0.934 -7.240 4.166
135 1HD2 ASN 25 1HD2 ASN 25 -0.577 -8.954 4.219
136 2HD2 ASN 25 2HD2 ASN 25 -0.181 -10.570 3.661
137 H GLY 26 H GLY 26 3.822 -5.787 1.427
138 1HA GLY 26 1HA GLY 26 3.517 -5.520 -0.812
139 2HA GLY 26 2HA GLY 26 2.501 -6.958 -0.863
140 H PHE 27 H PHE 27 1.476 -4.501 1.442
141 HA PHE 27 HA PHE 27 -0.442 -3.365 -0.519
142 2HB PHE 27 2HB PHE 27 -2.176 -3.476 1.207
143 HD1 PHE 27 HD1 PHE 27 -0.729 -6.587 2.370
144 HD2 PHE 27 HD2 PHE 27 -2.756 -4.764 -0.957
145 HE1 PHE 27 HE1 PHE 27 -1.367 -8.824 1.530
146 HE2 PHE 27 HE2 PHE 27 -3.503 -6.991 -1.731
147 HZ PHE 27 HZ PHE 27 -2.790 -9.038 -0.500
148 H CYS 28 H CYS 28 -1.032 -1.165 -0.149
149 HA CYS 28 HA CYS 28 1.171 0.315 0.998
150 2HB CYS 28 2HB CYS 28 -1.480 1.309 -0.107
151 H ALA 29 H ALA 29 1.423 1.143 3.055
152 HA ALA 29 HA ALA 29 -0.753 0.901 4.987
153 1HB ALA 29 1HB ALA 29 0.870 1.836 6.547
154 2HB ALA 29 2HB ALA 29 1.604 0.527 5.597
155 3HB ALA 29 3HB ALA 29 1.975 2.221 5.211
156 H CYS 30 H CYS 30 -2.008 2.302 3.185
157 HA CYS 30 HA CYS 30 -2.464 4.837 4.590
158 2HB CYS 30 2HB CYS 30 -1.935 4.952 1.598
159 H THR 31 H THR 31 -4.241 3.590 5.228
160 HA THR 31 HA THR 31 -6.515 3.611 3.299
161 HB THR 31 HB THR 31 -5.735 1.323 3.378
162 HG1 THR 31 HG1 THR 31 -8.012 1.764 4.994
163 1HG2 THR 31 1HG2 THR 31 -5.705 0.008 5.464
164 2HG2 THR 31 2HG2 THR 31 -4.461 1.263 5.472
165 3HG2 THR 31 3HG2 THR 31 -5.953 1.478 6.419
Start of MODEL 7
1 1H THR 1 1H THR 1 -12.464 -6.717 6.197
2 HA THR 1 HA THR 1 -13.158 -8.842 4.369
3 HB THR 1 HB THR 1 -13.769 -7.208 2.557
4 HG1 THR 1 HG1 THR 1 -14.388 -5.083 3.357
5 1HG2 THR 1 1HG2 THR 1 -15.564 -6.964 5.014
6 2HG2 THR 1 2HG2 THR 1 -16.043 -6.733 3.321
7 3HG2 THR 1 3HG2 THR 1 -15.551 -8.339 3.888
8 HA PRO 2 HA PRO 2 -8.872 -7.977 3.537
9 2HB PRO 2 2HB PRO 2 -8.928 -10.091 2.563
10 2HG PRO 2 2HG PRO 2 -10.605 -10.694 0.936
11 2HD PRO 2 2HD PRO 2 -11.689 -10.136 2.972
12 H PHE 3 H PHE 3 -10.140 -5.628 3.348
13 HA PHE 3 HA PHE 3 -9.904 -4.426 0.682
14 2HB PHE 3 2HB PHE 3 -10.461 -3.112 3.363
15 HD1 PHE 3 HD1 PHE 3 -12.013 -2.951 -0.052
16 HD2 PHE 3 HD2 PHE 3 -9.692 -0.861 2.925
17 HE1 PHE 3 HE1 PHE 3 -12.144 -0.876 -1.401
18 HE2 PHE 3 HE2 PHE 3 -9.836 1.211 1.578
19 HZ PHE 3 HZ PHE 3 -11.055 1.209 -0.592
20 H ALA 4 H ALA 4 -7.621 -5.247 0.640
21 HA ALA 4 HA ALA 4 -5.690 -3.342 1.939
22 1HB ALA 4 1HB ALA 4 -5.259 -6.251 1.180
23 2HB ALA 4 2HB ALA 4 -4.151 -5.169 2.062
24 3HB ALA 4 3HB ALA 4 -5.672 -5.664 2.807
25 H ILE 5 H ILE 5 -5.118 -1.879 0.422
26 HA ILE 5 HA ILE 5 -5.101 -2.514 -2.421
27 HB ILE 5 HB ILE 5 -4.202 -0.006 -0.945
28 2HG1 ILE 5 2HG1 ILE 5 -6.574 -0.529 -0.496
29 1HG2 ILE 5 1HG2 ILE 5 -3.265 -0.221 -3.247
30 2HG2 ILE 5 2HG2 ILE 5 -4.903 -0.471 -3.883
31 3HG2 ILE 5 3HG2 ILE 5 -4.439 1.079 -3.155
32 1HD1 ILE 5 1HD1 ILE 5 -5.926 1.863 -0.963
33 2HD1 ILE 5 2HD1 ILE 5 -6.555 1.624 -2.618
34 3HD1 ILE 5 3HD1 ILE 5 -7.631 1.446 -1.229
35 H LYS 6 H LYS 6 -3.385 -3.316 -3.511
36 HA LYS 6 HA LYS 6 -1.102 -4.281 -2.168
37 2HB LYS 6 2HB LYS 6 -0.292 -4.836 -4.464
38 2HG LYS 6 2HG LYS 6 -3.220 -5.497 -3.897
39 2HD LYS 6 2HD LYS 6 -1.077 -6.910 -5.550
40 2HE LYS 6 2HE LYS 6 -4.018 -7.602 -5.029
41 1HZ LYS 6 1HZ LYS 6 -3.281 -8.240 -7.226
42 2HZ LYS 6 2HZ LYS 6 -1.989 -9.052 -6.604
43 3HZ LYS 6 3HZ LYS 6 -3.517 -9.567 -6.285
44 H CYS 7 H CYS 7 1.132 -3.843 -2.433
45 HA CYS 7 HA CYS 7 2.088 -1.308 -3.588
46 2HB CYS 7 2HB CYS 7 2.071 -1.892 -0.594
47 H ALA 8 H ALA 8 4.073 -1.938 -4.486
48 HA ALA 8 HA ALA 8 5.576 -4.175 -3.170
49 1HB ALA 8 1HB ALA 8 5.058 -4.506 -5.546
50 2HB ALA 8 2HB ALA 8 5.818 -2.952 -5.948
51 3HB ALA 8 3HB ALA 8 6.800 -4.273 -5.286
52 H THR 9 H THR 9 5.661 -0.814 -4.299
53 HA THR 9 HA THR 9 8.374 -0.406 -3.107
54 HB THR 9 HB THR 9 8.571 1.314 -4.899
55 HG1 THR 9 HG1 THR 9 6.076 0.198 -5.772
56 1HG2 THR 9 1HG2 THR 9 8.875 -0.206 -6.774
57 2HG2 THR 9 2HG2 THR 9 9.435 -0.982 -5.279
58 3HG2 THR 9 3HG2 THR 9 7.875 -1.448 -5.998
59 H ASP 10 H ASP 10 8.865 1.600 -2.273
60 HA ASP 10 HA ASP 10 7.247 3.405 -0.879
61 2HB ASP 10 2HB ASP 10 9.616 3.624 -0.812
62 H ALA 11 H ALA 11 8.302 3.756 -4.317
63 HA ALA 11 HA ALA 11 6.698 5.686 -5.194
64 1HB ALA 11 1HB ALA 11 8.367 4.540 -6.565
65 2HB ALA 11 2HB ALA 11 7.279 3.153 -6.771
66 3HB ALA 11 3HB ALA 11 6.833 4.734 -7.438
67 H ASP 12 H ASP 12 5.474 2.247 -5.149
68 HA ASP 12 HA ASP 12 2.953 2.731 -6.273
69 2HB ASP 12 2HB ASP 12 2.091 0.870 -4.823
70 H CYS 13 H CYS 13 3.771 2.778 -2.794
71 HA CYS 13 HA CYS 13 1.269 3.822 -1.875
72 2HB CYS 13 2HB CYS 13 2.978 4.966 -0.134
73 H SER 14 H SER 14 4.324 5.488 -2.600
74 HA SER 14 HA SER 14 3.239 8.142 -2.259
75 2HB SER 14 2HB SER 14 5.916 7.512 -3.536
76 HG SER 14 HG SER 14 6.472 9.232 -2.096
77 H ARG 15 H ARG 15 1.602 7.216 -3.960
78 HA ARG 15 HA ARG 15 1.654 8.722 -6.349
79 2HB ARG 15 2HB ARG 15 2.114 5.713 -6.747
80 2HG ARG 15 2HG ARG 15 2.487 6.740 -9.166
81 2HD ARG 15 2HD ARG 15 -0.233 5.985 -8.001
82 HE ARG 15 HE ARG 15 0.083 5.936 -10.869
83 1HH1 ARG 15 1HH1 ARG 15 -1.010 8.008 -8.164
84 2HH1 ARG 15 2HH1 ARG 15 -2.001 9.007 -9.168
85 1HH2 ARG 15 1HH2 ARG 15 -1.255 7.270 -12.181
86 2HH2 ARG 15 2HH2 ARG 15 -2.160 8.574 -11.487
87 H LYS 16 H LYS 16 0.506 5.738 -4.685
88 HA LYS 16 HA LYS 16 -2.236 6.127 -5.580
89 2HB LYS 16 2HB LYS 16 -1.133 4.308 -3.390
90 2HG LYS 16 2HG LYS 16 -3.049 2.859 -4.408
91 2HD LYS 16 2HD LYS 16 -3.230 4.923 -2.294
92 2HE LYS 16 2HE LYS 16 -5.623 4.578 -1.899
93 1HZ LYS 16 1HZ LYS 16 -4.830 6.491 -3.310
94 2HZ LYS 16 2HZ LYS 16 -5.394 5.686 -4.607
95 3HZ LYS 16 3HZ LYS 16 -6.440 6.121 -3.416
96 H CYS 17 H CYS 17 -0.335 6.922 -2.647
97 HA CYS 17 HA CYS 17 -2.567 8.522 -1.560
98 2HB CYS 17 2HB CYS 17 -1.272 6.097 -0.289
99 HA PRO 18 HA PRO 18 1.030 11.049 -1.218
100 2HB PRO 18 2HB PRO 18 -0.451 12.804 -1.566
101 2HG PRO 18 2HG PRO 18 -2.564 12.910 -0.407
102 2HD PRO 18 2HD PRO 18 -2.478 10.873 -1.634
103 H GLY 19 H GLY 19 2.388 12.256 0.408
104 1HA GLY 19 1HA GLY 19 3.362 12.550 2.479
105 2HA GLY 19 2HA GLY 19 2.173 11.481 3.229
106 H ASN 20 H ASN 20 3.631 10.137 0.425
107 HA ASN 20 HA ASN 20 4.834 8.263 0.141
108 2HB ASN 20 2HB ASN 20 6.937 9.619 1.866
109 1HD2 ASN 20 1HD2 ASN 20 7.463 7.073 1.706
110 2HD2 ASN 20 2HD2 ASN 20 8.440 6.625 0.306
111 HA PRO 21 HA PRO 21 4.146 6.374 4.367
112 2HB PRO 21 2HB PRO 21 1.848 6.486 4.393
113 2HG PRO 21 2HG PRO 21 0.608 6.712 2.364
114 2HD PRO 21 2HD PRO 21 2.198 8.353 2.191
115 HA PRO 22 HA PRO 22 6.204 2.791 2.674
116 2HB PRO 22 2HB PRO 22 7.104 2.715 4.841
117 2HG PRO 22 2HG PRO 22 5.682 2.765 6.793
118 2HD PRO 22 2HD PRO 22 5.315 4.769 5.597
119 H CYS 23 H CYS 23 5.975 0.566 1.983
120 HA CYS 23 HA CYS 23 3.257 -0.540 1.842
121 2HB CYS 23 2HB CYS 23 4.243 -2.465 0.830
122 H ARG 24 H ARG 24 2.578 -2.324 3.092
123 HA ARG 24 HA ARG 24 4.350 -3.391 5.207
124 2HB ARG 24 2HB ARG 24 1.477 -2.435 5.652
125 2HG ARG 24 2HG ARG 24 2.360 -2.531 8.087
126 2HD ARG 24 2HD ARG 24 1.760 -5.189 6.693
127 HE ARG 24 HE ARG 24 0.930 -4.744 9.434
128 1HH1 ARG 24 1HH1 ARG 24 3.617 -5.897 7.482
129 2HH1 ARG 24 2HH1 ARG 24 4.246 -6.996 8.674
130 1HH2 ARG 24 1HH2 ARG 24 1.741 -6.165 11.074
131 2HH2 ARG 24 2HH2 ARG 24 3.151 -7.125 10.780
132 H ASN 25 H ASN 25 4.422 -5.524 4.794
133 HA ASN 25 HA ASN 25 3.946 -7.580 4.002
134 2HB ASN 25 2HB ASN 25 1.088 -6.954 4.853
135 1HD2 ASN 25 1HD2 ASN 25 -0.297 -8.739 4.751
136 2HD2 ASN 25 2HD2 ASN 25 0.261 -10.369 4.416
137 H GLY 26 H GLY 26 3.933 -5.487 2.039
138 1HA GLY 26 1HA GLY 26 3.685 -5.485 -0.226
139 2HA GLY 26 2HA GLY 26 2.689 -6.934 -0.146
140 H PHE 27 H PHE 27 1.522 -4.357 1.917
141 HA PHE 27 HA PHE 27 -0.329 -3.375 -0.198
142 2HB PHE 27 2HB PHE 27 -2.119 -3.404 1.467
143 HD1 PHE 27 HD1 PHE 27 -0.541 -6.393 2.840
144 HD2 PHE 27 HD2 PHE 27 -2.702 -4.860 -0.548
145 HE1 PHE 27 HE1 PHE 27 -1.097 -8.704 2.145
146 HE2 PHE 27 HE2 PHE 27 -3.390 -7.156 -1.159
147 HZ PHE 27 HZ PHE 27 -2.564 -9.095 0.173
148 H CYS 28 H CYS 28 -0.945 -1.135 0.023
149 HA CYS 28 HA CYS 28 1.232 0.374 1.180
150 2HB CYS 28 2HB CYS 28 -1.388 1.430 0.058
151 H ALA 29 H ALA 29 1.434 1.223 3.242
152 HA ALA 29 HA ALA 29 -0.479 0.613 5.232
153 1HB ALA 29 1HB ALA 29 1.689 2.749 5.236
154 2HB ALA 29 2HB ALA 29 0.856 2.103 6.666
155 3HB ALA 29 3HB ALA 29 1.894 1.044 5.694
156 H CYS 30 H CYS 30 0.061 3.597 3.395
157 HA CYS 30 HA CYS 30 -0.918 5.686 3.542
158 2HB CYS 30 2HB CYS 30 -3.318 3.955 2.955
159 H THR 31 H THR 31 -0.433 5.564 6.005
160 HA THR 31 HA THR 31 -2.614 6.852 7.308
161 HB THR 31 HB THR 31 -3.327 4.460 7.642
162 HG1 THR 31 HG1 THR 31 -3.924 5.829 9.223
163 1HG2 THR 31 1HG2 THR 31 -0.772 4.164 9.285
164 2HG2 THR 31 2HG2 THR 31 -2.068 2.977 9.072
165 3HG2 THR 31 3HG2 THR 31 -1.043 3.416 7.697
Start of MODEL 8
1 1H THR 1 1H THR 1 -4.632 -9.026 8.764
2 HA THR 1 HA THR 1 -6.697 -10.069 7.041
3 HB THR 1 HB THR 1 -7.457 -7.665 7.255
4 HG1 THR 1 HG1 THR 1 -5.371 -6.816 7.523
5 1HG2 THR 1 1HG2 THR 1 -6.765 -9.058 9.888
6 2HG2 THR 1 2HG2 THR 1 -7.987 -7.796 9.649
7 3HG2 THR 1 3HG2 THR 1 -8.199 -9.385 8.890
8 HA PRO 2 HA PRO 2 -3.649 -8.594 3.819
9 2HB PRO 2 2HB PRO 2 -2.793 -10.762 3.719
10 2HG PRO 2 2HG PRO 2 -4.221 -12.701 3.893
11 2HD PRO 2 2HD PRO 2 -4.436 -11.440 5.897
12 H PHE 3 H PHE 3 -5.992 -7.373 3.972
13 HA PHE 3 HA PHE 3 -7.387 -7.630 1.340
14 2HB PHE 3 2HB PHE 3 -9.519 -7.555 2.494
15 HD1 PHE 3 HD1 PHE 3 -8.392 -9.788 1.143
16 HD2 PHE 3 HD2 PHE 3 -8.997 -9.297 5.388
17 HE1 PHE 3 HE1 PHE 3 -8.421 -12.244 1.426
18 HE2 PHE 3 HE2 PHE 3 -9.031 -11.758 5.660
19 HZ PHE 3 HZ PHE 3 -8.731 -13.236 3.684
20 H ALA 4 H ALA 4 -5.881 -5.754 1.004
21 HA ALA 4 HA ALA 4 -7.309 -3.275 1.487
22 1HB ALA 4 1HB ALA 4 -4.479 -3.652 2.585
23 2HB ALA 4 2HB ALA 4 -5.373 -2.119 2.531
24 3HB ALA 4 3HB ALA 4 -5.944 -3.439 3.561
25 H ILE 5 H ILE 5 -5.708 -1.481 0.483
26 HA ILE 5 HA ILE 5 -5.380 -2.043 -2.281
27 HB ILE 5 HB ILE 5 -4.225 0.113 -0.469
28 2HG1 ILE 5 2HG1 ILE 5 -6.774 -0.062 -0.719
29 1HG2 ILE 5 1HG2 ILE 5 -4.314 0.020 -3.520
30 2HG2 ILE 5 2HG2 ILE 5 -3.810 1.416 -2.540
31 3HG2 ILE 5 3HG2 ILE 5 -2.856 -0.045 -2.513
32 1HD1 ILE 5 1HD1 ILE 5 -5.685 2.041 -0.050
33 2HD1 ILE 5 2HD1 ILE 5 -5.553 2.525 -1.753
34 3HD1 ILE 5 3HD1 ILE 5 -7.145 2.288 -1.021
35 H LYS 6 H LYS 6 -3.643 -2.904 -3.408
36 HA LYS 6 HA LYS 6 -1.564 -4.229 -1.890
37 2HB LYS 6 2HB LYS 6 -0.792 -4.681 -4.403
38 2HG LYS 6 2HG LYS 6 -1.538 -6.423 -2.911
39 2HD LYS 6 2HD LYS 6 -4.375 -5.544 -3.674
40 2HE LYS 6 2HE LYS 6 -5.082 -7.407 -2.161
41 1HZ LYS 6 1HZ LYS 6 -4.993 -7.866 -4.523
42 2HZ LYS 6 2HZ LYS 6 -3.446 -8.416 -4.392
43 3HZ LYS 6 3HZ LYS 6 -4.668 -9.211 -3.638
44 H CYS 7 H CYS 7 0.747 -4.051 -2.438
45 HA CYS 7 HA CYS 7 1.782 -1.558 -3.600
46 2HB CYS 7 2HB CYS 7 2.082 -2.221 -0.635
47 H ALA 8 H ALA 8 3.672 -2.140 -4.633
48 HA ALA 8 HA ALA 8 5.033 -4.675 -3.847
49 1HB ALA 8 1HB ALA 8 5.275 -2.980 -6.370
50 2HB ALA 8 2HB ALA 8 6.109 -4.507 -6.027
51 3HB ALA 8 3HB ALA 8 4.343 -4.484 -6.210
52 H THR 9 H THR 9 5.576 -1.184 -4.650
53 HA THR 9 HA THR 9 7.764 -1.174 -2.614
54 HB THR 9 HB THR 9 9.019 0.432 -4.060
55 HG1 THR 9 HG1 THR 9 8.499 0.385 -6.292
56 1HG2 THR 9 1HG2 THR 9 9.659 -1.978 -3.898
57 2HG2 THR 9 2HG2 THR 9 8.641 -2.328 -5.313
58 3HG2 THR 9 3HG2 THR 9 10.056 -1.270 -5.477
59 H ASP 10 H ASP 10 8.149 0.869 -1.698
60 HA ASP 10 HA ASP 10 6.149 2.388 -0.615
61 2HB ASP 10 2HB ASP 10 8.377 2.659 0.136
62 H ALA 11 H ALA 11 7.992 3.426 -3.501
63 HA ALA 11 HA ALA 11 6.757 5.359 -4.690
64 1HB ALA 11 1HB ALA 11 7.235 2.719 -6.122
65 2HB ALA 11 2HB ALA 11 7.129 4.318 -6.883
66 3HB ALA 11 3HB ALA 11 8.462 3.956 -5.766
67 H ASP 12 H ASP 12 5.129 2.099 -4.834
68 HA ASP 12 HA ASP 12 2.965 2.904 -6.503
69 2HB ASP 12 2HB ASP 12 1.785 0.945 -5.566
70 H CYS 13 H CYS 13 3.164 2.473 -3.016
71 HA CYS 13 HA CYS 13 0.515 3.347 -2.419
72 2HB CYS 13 2HB CYS 13 2.980 3.084 -0.650
73 H SER 14 H SER 14 3.693 4.911 -2.101
74 HA SER 14 HA SER 14 2.951 7.447 -1.182
75 2HB SER 14 2HB SER 14 5.154 6.806 -3.194
76 HG SER 14 HG SER 14 4.839 9.042 -2.715
77 H ARG 15 H ARG 15 3.157 6.255 -4.588
78 HA ARG 15 HA ARG 15 2.493 8.767 -5.746
79 2HB ARG 15 2HB ARG 15 2.204 5.950 -6.900
80 2HG ARG 15 2HG ARG 15 2.841 7.453 -9.001
81 2HD ARG 15 2HD ARG 15 -0.008 7.074 -7.959
82 HE ARG 15 HE ARG 15 0.390 7.591 -10.777
83 1HH1 ARG 15 1HH1 ARG 15 -0.306 9.208 -7.666
84 2HH1 ARG 15 2HH1 ARG 15 -1.096 10.559 -8.399
85 1HH2 ARG 15 1HH2 ARG 15 -0.649 9.406 -11.737
86 2HH2 ARG 15 2HH2 ARG 15 -1.287 10.679 -10.752
87 H LYS 16 H LYS 16 0.492 6.000 -4.678
88 HA LYS 16 HA LYS 16 -1.944 7.146 -5.759
89 2HB LYS 16 2HB LYS 16 -1.639 4.991 -3.635
90 2HG LYS 16 2HG LYS 16 -3.823 5.695 -5.659
91 2HD LYS 16 2HD LYS 16 -3.639 3.414 -3.655
92 2HE LYS 16 2HE LYS 16 -5.807 4.215 -5.674
93 1HZ LYS 16 1HZ LYS 16 -5.742 1.904 -3.851
94 2HZ LYS 16 2HZ LYS 16 -7.008 2.356 -4.797
95 3HZ LYS 16 3HZ LYS 16 -5.612 1.835 -5.491
96 H CYS 17 H CYS 17 -0.367 7.175 -2.559
97 HA CYS 17 HA CYS 17 -2.403 9.065 -1.487
98 2HB CYS 17 2HB CYS 17 -1.463 6.410 -0.394
99 HA PRO 18 HA PRO 18 1.613 10.872 -1.087
100 2HB PRO 18 2HB PRO 18 0.546 12.823 -1.744
101 2HG PRO 18 2HG PRO 18 -1.588 13.460 -0.817
102 2HD PRO 18 2HD PRO 18 -1.793 11.312 -1.834
103 H GLY 19 H GLY 19 3.001 12.129 0.529
104 1HA GLY 19 1HA GLY 19 3.934 12.410 2.624
105 2HA GLY 19 2HA GLY 19 2.568 11.581 3.380
106 H ASN 20 H ASN 20 4.194 10.116 0.670
107 HA ASN 20 HA ASN 20 4.857 7.989 0.459
108 2HB ASN 20 2HB ASN 20 7.134 9.009 2.174
109 1HD2 ASN 20 1HD2 ASN 20 9.274 8.305 0.963
110 2HD2 ASN 20 2HD2 ASN 20 9.283 6.643 0.390
111 HA PRO 21 HA PRO 21 3.605 5.819 4.358
112 2HB PRO 21 2HB PRO 21 1.340 6.100 4.162
113 2HG PRO 21 2HG PRO 21 0.373 6.901 2.120
114 2HD PRO 21 2HD PRO 21 2.111 8.385 2.698
115 HA PRO 22 HA PRO 22 5.875 2.918 1.713
116 2HB PRO 22 2HB PRO 22 7.363 2.906 3.519
117 2HG PRO 22 2HG PRO 22 6.583 2.692 5.794
118 2HD PRO 22 2HD PRO 22 5.634 4.664 4.882
119 H CYS 23 H CYS 23 6.007 0.357 1.544
120 HA CYS 23 HA CYS 23 3.299 -0.767 1.533
121 2HB CYS 23 2HB CYS 23 4.276 -2.814 0.824
122 H ARG 24 H ARG 24 2.432 -1.594 3.347
123 HA ARG 24 HA ARG 24 4.019 -3.041 5.387
124 2HB ARG 24 2HB ARG 24 1.045 -3.058 4.722
125 2HG ARG 24 2HG ARG 24 2.611 -4.243 7.062
126 2HD ARG 24 2HD ARG 24 -0.376 -4.086 6.452
127 HE ARG 24 HE ARG 24 -0.465 -6.073 7.511
128 1HH1 ARG 24 1HH1 ARG 24 1.918 -4.095 9.177
129 2HH1 ARG 24 2HH1 ARG 24 2.167 -5.193 10.500
130 1HH2 ARG 24 1HH2 ARG 24 -0.166 -7.581 9.237
131 2HH2 ARG 24 2HH2 ARG 24 0.945 -7.236 10.519
132 H ASN 25 H ASN 25 5.308 -3.849 3.610
133 HA ASN 25 HA ASN 25 5.712 -5.157 1.677
134 2HB ASN 25 2HB ASN 25 6.212 -7.435 2.602
135 1HD2 ASN 25 1HD2 ASN 25 6.477 -5.136 5.338
136 2HD2 ASN 25 2HD2 ASN 25 8.174 -4.789 5.052
137 H GLY 26 H GLY 26 3.892 -4.967 0.253
138 1HA GLY 26 1HA GLY 26 2.691 -6.573 -1.147
139 2HA GLY 26 2HA GLY 26 2.001 -7.301 0.306
140 H PHE 27 H PHE 27 1.632 -4.684 1.682
141 HA PHE 27 HA PHE 27 -0.747 -3.718 0.160
142 2HB PHE 27 2HB PHE 27 -1.856 -3.573 2.369
143 HD1 PHE 27 HD1 PHE 27 0.047 -6.730 2.756
144 HD2 PHE 27 HD2 PHE 27 -3.295 -4.843 0.803
145 HE1 PHE 27 HE1 PHE 27 -0.777 -8.948 2.014
146 HE2 PHE 27 HE2 PHE 27 -4.206 -7.076 0.205
147 HZ PHE 27 HZ PHE 27 -2.885 -9.116 0.698
148 H CYS 28 H CYS 28 -1.259 -1.567 0.273
149 HA CYS 28 HA CYS 28 0.940 0.267 0.790
150 2HB CYS 28 2HB CYS 28 -1.905 0.512 -0.228
151 H ALA 29 H ALA 29 1.392 1.147 2.795
152 HA ALA 29 HA ALA 29 -0.624 0.957 4.913
153 1HB ALA 29 1HB ALA 29 2.166 2.158 4.962
154 2HB ALA 29 2HB ALA 29 1.165 1.710 6.358
155 3HB ALA 29 3HB ALA 29 1.782 0.450 5.269
156 H CYS 30 H CYS 30 -1.699 2.615 2.959
157 HA CYS 30 HA CYS 30 -1.200 5.447 3.481
158 2HB CYS 30 2HB CYS 30 -3.520 4.016 2.165
159 H THR 31 H THR 31 -1.240 5.368 5.822
160 HA THR 31 HA THR 31 -3.157 4.356 7.426
161 HB THR 31 HB THR 31 -1.871 7.026 8.084
162 HG1 THR 31 HG1 THR 31 -0.577 4.559 7.570
163 1HG2 THR 31 1HG2 THR 31 -3.148 5.831 9.864
164 2HG2 THR 31 2HG2 THR 31 -2.122 4.397 9.630
165 3HG2 THR 31 3HG2 THR 31 -1.415 5.911 10.230
Start of MODEL 9
1 1H THR 1 1H THR 1 -8.881 -3.899 8.812
2 HA THR 1 HA THR 1 -11.655 -4.300 9.148
3 HB THR 1 HB THR 1 -12.335 -2.705 7.248
4 HG1 THR 1 HG1 THR 1 -9.754 -1.719 7.822
5 1HG2 THR 1 1HG2 THR 1 -12.466 -0.712 8.671
6 2HG2 THR 1 2HG2 THR 1 -12.847 -2.168 9.611
7 3HG2 THR 1 3HG2 THR 1 -11.258 -1.389 9.783
8 HA PRO 2 HA PRO 2 -10.374 -6.986 5.765
9 2HB PRO 2 2HB PRO 2 -12.324 -8.170 6.227
10 2HG PRO 2 2HG PRO 2 -14.440 -7.060 6.522
11 2HD PRO 2 2HD PRO 2 -12.939 -6.202 8.151
12 H PHE 3 H PHE 3 -9.386 -4.741 5.103
13 HA PHE 3 HA PHE 3 -10.029 -4.256 2.281
14 2HB PHE 3 2HB PHE 3 -10.293 -2.119 4.441
15 HD1 PHE 3 HD1 PHE 3 -11.647 -2.315 0.965
16 HD2 PHE 3 HD2 PHE 3 -8.834 -0.379 3.600
17 HE1 PHE 3 HE1 PHE 3 -11.257 -0.558 -0.740
18 HE2 PHE 3 HE2 PHE 3 -8.456 1.383 1.899
19 HZ PHE 3 HZ PHE 3 -9.689 1.310 -0.264
20 H ALA 4 H ALA 4 -8.094 -3.917 1.256
21 HA ALA 4 HA ALA 4 -5.876 -2.548 2.544
22 1HB ALA 4 1HB ALA 4 -5.629 -5.531 1.957
23 2HB ALA 4 2HB ALA 4 -4.316 -4.437 2.456
24 3HB ALA 4 3HB ALA 4 -5.645 -4.785 3.568
25 H ILE 5 H ILE 5 -5.564 -1.204 0.844
26 HA ILE 5 HA ILE 5 -5.815 -1.919 -1.932
27 HB ILE 5 HB ILE 5 -4.459 0.371 -0.461
28 2HG1 ILE 5 2HG1 ILE 5 -7.030 0.065 -0.413
29 1HG2 ILE 5 1HG2 ILE 5 -3.339 0.161 -2.619
30 2HG2 ILE 5 2HG2 ILE 5 -4.898 0.029 -3.462
31 3HG2 ILE 5 3HG2 ILE 5 -4.407 1.543 -2.678
32 1HD1 ILE 5 1HD1 ILE 5 -5.940 2.673 -1.545
33 2HD1 ILE 5 2HD1 ILE 5 -7.481 2.429 -0.711
34 3HD1 ILE 5 3HD1 ILE 5 -5.959 2.193 0.162
35 H LYS 6 H LYS 6 -4.193 -2.573 -3.399
36 HA LYS 6 HA LYS 6 -1.993 -4.042 -2.235
37 2HB LYS 6 2HB LYS 6 -2.045 -3.683 -5.182
38 2HG LYS 6 2HG LYS 6 -0.842 -5.505 -3.821
39 2HD LYS 6 2HD LYS 6 -3.585 -6.834 -3.966
40 2HE LYS 6 2HE LYS 6 -1.439 -8.207 -3.730
41 1HZ LYS 6 1HZ LYS 6 -0.406 -6.715 -2.034
42 2HZ LYS 6 2HZ LYS 6 -1.537 -7.171 -0.961
43 3HZ LYS 6 3HZ LYS 6 -0.496 -8.289 -1.547
44 H CYS 7 H CYS 7 0.322 -3.774 -2.811
45 HA CYS 7 HA CYS 7 1.210 -1.233 -4.010
46 2HB CYS 7 2HB CYS 7 1.612 -1.954 -1.082
47 H ALA 8 H ALA 8 3.322 -1.582 -4.894
48 HA ALA 8 HA ALA 8 4.628 -4.193 -4.190
49 1HB ALA 8 1HB ALA 8 5.708 -4.070 -6.352
50 2HB ALA 8 2HB ALA 8 3.942 -4.046 -6.529
51 3HB ALA 8 3HB ALA 8 4.877 -2.554 -6.736
52 H THR 9 H THR 9 5.365 -0.818 -5.156
53 HA THR 9 HA THR 9 7.804 -0.841 -3.416
54 HB THR 9 HB THR 9 8.533 1.044 -4.823
55 HG1 THR 9 HG1 THR 9 6.095 0.540 -6.221
56 1HG2 THR 9 1HG2 THR 9 7.750 -1.365 -6.528
57 2HG2 THR 9 2HG2 THR 9 9.036 -0.192 -6.863
58 3HG2 THR 9 3HG2 THR 9 9.171 -1.275 -5.463
59 H ASP 10 H ASP 10 8.171 1.100 -2.169
60 HA ASP 10 HA ASP 10 6.162 2.429 -0.755
61 2HB ASP 10 2HB ASP 10 8.436 2.713 -0.107
62 H ALA 11 H ALA 11 7.824 3.697 -3.658
63 HA ALA 11 HA ALA 11 6.166 5.705 -4.410
64 1HB ALA 11 1HB ALA 11 7.150 5.466 -6.634
65 2HB ALA 11 2HB ALA 11 8.359 5.159 -5.375
66 3HB ALA 11 3HB ALA 11 7.634 3.797 -6.257
67 H ASP 12 H ASP 12 4.849 2.554 -4.297
68 HA ASP 12 HA ASP 12 2.747 3.223 -6.307
69 2HB ASP 12 2HB ASP 12 1.791 1.034 -5.724
70 H CYS 13 H CYS 13 3.298 2.855 -2.788
71 HA CYS 13 HA CYS 13 0.474 3.506 -2.289
72 2HB CYS 13 2HB CYS 13 2.714 3.575 -0.236
73 H SER 14 H SER 14 3.641 5.059 -1.934
74 HA SER 14 HA SER 14 2.662 7.778 -1.726
75 2HB SER 14 2HB SER 14 5.429 6.818 -2.554
76 HG SER 14 HG SER 14 4.364 9.203 -1.428
77 H ARG 15 H ARG 15 1.126 7.416 -3.396
78 HA ARG 15 HA ARG 15 1.711 8.762 -5.850
79 2HB ARG 15 2HB ARG 15 0.989 5.807 -6.120
80 2HG ARG 15 2HG ARG 15 1.830 7.788 -8.276
81 2HD ARG 15 2HD ARG 15 1.032 6.016 -9.804
82 HE ARG 15 HE ARG 15 3.368 5.795 -8.430
83 1HH1 ARG 15 1HH1 ARG 15 1.064 3.188 -9.359
84 2HH1 ARG 15 2HH1 ARG 15 2.264 1.984 -8.856
85 1HH2 ARG 15 1HH2 ARG 15 4.726 4.052 -7.936
86 2HH2 ARG 15 2HH2 ARG 15 4.235 2.432 -8.379
87 H LYS 16 H LYS 16 -0.340 6.328 -4.215
88 HA LYS 16 HA LYS 16 -2.817 7.717 -5.038
89 2HB LYS 16 2HB LYS 16 -2.456 5.188 -3.384
90 2HG LYS 16 2HG LYS 16 -4.779 6.347 -5.004
91 2HD LYS 16 2HD LYS 16 -4.531 3.741 -3.446
92 2HE LYS 16 2HE LYS 16 -6.842 4.945 -5.059
93 1HZ LYS 16 1HZ LYS 16 -6.742 2.561 -5.288
94 2HZ LYS 16 2HZ LYS 16 -6.709 2.359 -3.653
95 3HZ LYS 16 3HZ LYS 16 -8.038 3.002 -4.377
96 H CYS 17 H CYS 17 -0.870 6.996 -2.106
97 HA CYS 17 HA CYS 17 -2.641 8.795 -0.505
98 2HB CYS 17 2HB CYS 17 -1.246 6.230 0.258
99 HA PRO 18 HA PRO 18 1.292 10.948 -0.599
100 2HB PRO 18 2HB PRO 18 -0.074 12.791 -1.046
101 2HG PRO 18 2HG PRO 18 -2.081 13.208 0.230
102 2HD PRO 18 2HD PRO 18 -2.313 11.090 -0.809
103 H GLY 19 H GLY 19 2.655 12.326 1.033
104 1HA GLY 19 1HA GLY 19 3.697 12.590 3.077
105 2HA GLY 19 2HA GLY 19 2.475 11.576 3.856
106 H ASN 20 H ASN 20 4.499 10.837 1.063
107 HA ASN 20 HA ASN 20 5.313 8.797 0.508
108 2HB ASN 20 2HB ASN 20 7.420 9.755 2.441
109 1HD2 ASN 20 1HD2 ASN 20 9.655 9.267 1.495
110 2HD2 ASN 20 2HD2 ASN 20 9.824 7.763 0.601
111 HA PRO 21 HA PRO 21 4.331 6.049 4.068
112 2HB PRO 21 2HB PRO 21 2.033 6.345 3.901
113 2HG PRO 21 2HG PRO 21 0.992 6.835 1.773
114 2HD PRO 21 2HD PRO 21 2.577 8.490 2.216
115 HA PRO 22 HA PRO 22 6.282 2.843 1.482
116 2HB PRO 22 2HB PRO 22 7.613 2.517 3.378
117 2HG PRO 22 2HG PRO 22 6.657 2.422 5.588
118 2HD PRO 22 2HD PRO 22 6.114 4.548 4.702
119 H CYS 23 H CYS 23 5.916 0.299 1.264
120 HA CYS 23 HA CYS 23 3.032 -0.344 1.255
121 2HB CYS 23 2HB CYS 23 3.659 -2.515 0.471
122 H ARG 24 H ARG 24 2.121 -1.313 2.991
123 HA ARG 24 HA ARG 24 3.636 -2.711 5.104
124 2HB ARG 24 2HB ARG 24 0.667 -2.668 4.406
125 2HG ARG 24 2HG ARG 24 1.240 -3.348 7.140
126 2HD ARG 24 2HD ARG 24 0.207 -5.023 4.806
127 HE ARG 24 HE ARG 24 0.484 -6.732 6.235
128 1HH1 ARG 24 1HH1 ARG 24 -0.755 -3.999 8.065
129 2HH1 ARG 24 2HH1 ARG 24 -1.104 -4.896 9.511
130 1HH2 ARG 24 1HH2 ARG 24 0.068 -7.976 8.138
131 2HH2 ARG 24 2HH2 ARG 24 -0.601 -7.224 9.548
132 H ASN 25 H ASN 25 4.930 -3.703 3.434
133 HA ASN 25 HA ASN 25 5.520 -5.421 1.981
134 2HB ASN 25 2HB ASN 25 5.278 -7.583 3.175
135 1HD2 ASN 25 1HD2 ASN 25 7.526 -6.551 3.129
136 2HD2 ASN 25 2HD2 ASN 25 8.096 -5.870 4.640
137 H GLY 26 H GLY 26 4.015 -4.769 0.209
138 1HA GLY 26 1HA GLY 26 3.007 -5.955 -1.575
139 2HA GLY 26 2HA GLY 26 2.240 -7.068 -0.460
140 H PHE 27 H PHE 27 1.564 -4.410 1.219
141 HA PHE 27 HA PHE 27 -0.743 -3.509 -0.434
142 2HB PHE 27 2HB PHE 27 -2.090 -3.583 1.635
143 HD1 PHE 27 HD1 PHE 27 -3.447 -4.902 0.082
144 HD2 PHE 27 HD2 PHE 27 -0.071 -6.665 2.100
145 HE1 PHE 27 HE1 PHE 27 -4.489 -7.139 -0.137
146 HE2 PHE 27 HE2 PHE 27 -1.063 -8.916 1.788
147 HZ PHE 27 HZ PHE 27 -3.302 -9.154 0.724
148 H CYS 28 H CYS 28 -1.531 -1.385 0.220
149 HA CYS 28 HA CYS 28 0.546 0.527 0.613
150 2HB CYS 28 2HB CYS 28 -2.068 1.474 1.546
151 H ALA 29 H ALA 29 1.529 1.306 2.587
152 HA ALA 29 HA ALA 29 0.355 0.467 5.166
153 1HB ALA 29 1HB ALA 29 2.472 2.570 4.567
154 2HB ALA 29 2HB ALA 29 2.027 1.922 6.155
155 3HB ALA 29 3HB ALA 29 2.785 0.862 4.953
156 H CYS 30 H CYS 30 0.744 3.426 3.296
157 HA CYS 30 HA CYS 30 -0.229 5.426 3.200
158 2HB CYS 30 2HB CYS 30 -2.743 3.826 3.682
159 H THR 31 H THR 31 -2.093 4.019 5.940
160 HA THR 31 HA THR 31 -2.437 6.613 7.134
161 HB THR 31 HB THR 31 -4.041 4.841 7.514
162 HG1 THR 31 HG1 THR 31 -2.647 5.671 9.825
163 1HG2 THR 31 1HG2 THR 31 -1.858 3.379 9.073
164 2HG2 THR 31 2HG2 THR 31 -3.582 2.975 9.066
165 3HG2 THR 31 3HG2 THR 31 -2.643 2.822 7.580
Start of MODEL 10
1 1H THR 1 1H THR 1 -8.979 -3.983 8.131
2 HA THR 1 HA THR 1 -11.797 -4.045 8.260
3 HB THR 1 HB THR 1 -12.122 -1.786 7.064
4 HG1 THR 1 HG1 THR 1 -9.486 -1.464 8.032
5 1HG2 THR 1 1HG2 THR 1 -12.083 -0.450 9.124
6 2HG2 THR 1 2HG2 THR 1 -12.726 -2.071 9.450
7 3HG2 THR 1 3HG2 THR 1 -11.064 -1.663 9.926
8 HA PRO 2 HA PRO 2 -10.689 -5.510 4.158
9 2HB PRO 2 2HB PRO 2 -12.799 -6.488 4.167
10 2HG PRO 2 2HG PRO 2 -14.763 -5.257 4.817
11 2HD PRO 2 2HD PRO 2 -13.253 -5.249 6.651
12 H PHE 3 H PHE 3 -9.414 -3.333 4.365
13 HA PHE 3 HA PHE 3 -10.049 -1.614 1.997
14 2HB PHE 3 2HB PHE 3 -8.864 -0.609 4.612
15 HD1 PHE 3 HD1 PHE 3 -7.601 1.291 3.836
16 HD2 PHE 3 HD2 PHE 3 -11.539 0.553 2.241
17 HE1 PHE 3 HE1 PHE 3 -7.639 3.572 2.857
18 HE2 PHE 3 HE2 PHE 3 -11.550 2.814 1.223
19 HZ PHE 3 HZ PHE 3 -9.616 4.341 1.558
20 H ALA 4 H ALA 4 -8.560 -3.884 1.860
21 HA ALA 4 HA ALA 4 -5.781 -3.493 2.541
22 1HB ALA 4 1HB ALA 4 -6.920 -5.678 2.629
23 2HB ALA 4 2HB ALA 4 -7.126 -5.649 0.864
24 3HB ALA 4 3HB ALA 4 -5.499 -5.713 1.576
25 H ILE 5 H ILE 5 -5.857 -1.347 1.253
26 HA ILE 5 HA ILE 5 -5.606 -1.340 -1.587
27 HB ILE 5 HB ILE 5 -4.358 0.477 0.513
28 2HG1 ILE 5 2HG1 ILE 5 -6.888 0.378 0.390
29 1HG2 ILE 5 1HG2 ILE 5 -4.568 0.833 -2.515
30 2HG2 ILE 5 2HG2 ILE 5 -4.000 2.079 -1.376
31 3HG2 ILE 5 3HG2 ILE 5 -3.069 0.621 -1.602
32 1HD1 ILE 5 1HD1 ILE 5 -7.311 2.740 0.226
33 2HD1 ILE 5 2HD1 ILE 5 -5.805 2.457 1.123
34 3HD1 ILE 5 3HD1 ILE 5 -5.762 3.048 -0.552
35 H LYS 6 H LYS 6 -4.235 -2.682 -2.682
36 HA LYS 6 HA LYS 6 -1.832 -3.731 -1.617
37 2HB LYS 6 2HB LYS 6 -1.223 -3.945 -4.151
38 2HG LYS 6 2HG LYS 6 -3.728 -5.432 -3.471
39 2HD LYS 6 2HD LYS 6 -1.951 -5.763 -5.467
40 2HE LYS 6 2HE LYS 6 -0.309 -7.472 -5.023
41 1HZ LYS 6 1HZ LYS 6 0.548 -5.248 -4.201
42 2HZ LYS 6 2HZ LYS 6 0.059 -5.665 -2.701
43 3HZ LYS 6 3HZ LYS 6 1.184 -6.541 -3.458
44 H CYS 7 H CYS 7 0.265 -3.341 -2.064
45 HA CYS 7 HA CYS 7 1.137 -0.760 -3.263
46 2HB CYS 7 2HB CYS 7 2.131 -2.300 -0.835
47 H ALA 8 H ALA 8 3.192 -1.084 -4.438
48 HA ALA 8 HA ALA 8 3.963 -3.877 -5.014
49 1HB ALA 8 1HB ALA 8 3.354 -1.805 -7.150
50 2HB ALA 8 2HB ALA 8 4.367 -3.243 -7.416
51 3HB ALA 8 3HB ALA 8 2.661 -3.417 -6.957
52 H THR 9 H THR 9 5.102 -0.652 -6.298
53 HA THR 9 HA THR 9 7.608 -1.058 -4.723
54 HB THR 9 HB THR 9 8.337 1.029 -5.735
55 HG1 THR 9 HG1 THR 9 5.883 0.958 -7.161
56 1HG2 THR 9 1HG2 THR 9 7.183 -0.882 -7.822
57 2HG2 THR 9 2HG2 THR 9 8.507 0.276 -8.058
58 3HG2 THR 9 3HG2 THR 9 8.723 -1.100 -6.958
59 H ASP 10 H ASP 10 8.294 0.760 -3.310
60 HA ASP 10 HA ASP 10 6.413 1.640 -1.327
61 2HB ASP 10 2HB ASP 10 8.828 1.389 -0.881
62 H ALA 11 H ALA 11 8.035 3.025 -4.171
63 HA ALA 11 HA ALA 11 6.853 5.519 -4.329
64 1HB ALA 11 1HB ALA 11 7.214 5.478 -6.725
65 2HB ALA 11 2HB ALA 11 8.586 4.751 -5.867
66 3HB ALA 11 3HB ALA 11 7.418 3.720 -6.710
67 H ASP 12 H ASP 12 5.362 2.465 -5.639
68 HA ASP 12 HA ASP 12 3.030 3.677 -6.619
69 2HB ASP 12 2HB ASP 12 1.906 1.461 -6.291
70 H CYS 13 H CYS 13 3.670 2.562 -3.292
71 HA CYS 13 HA CYS 13 1.002 3.218 -2.340
72 2HB CYS 13 2HB CYS 13 3.657 2.951 -0.884
73 H SER 14 H SER 14 4.128 4.898 -2.265
74 HA SER 14 HA SER 14 3.104 7.485 -1.410
75 2HB SER 14 2HB SER 14 5.761 6.573 -2.590
76 HG SER 14 HG SER 14 5.380 8.821 -2.688
77 H ARG 15 H ARG 15 1.521 6.841 -3.457
78 HA ARG 15 HA ARG 15 1.918 8.771 -5.595
79 2HB ARG 15 2HB ARG 15 2.263 5.802 -6.084
80 2HG ARG 15 2HG ARG 15 2.178 7.769 -8.351
81 2HD ARG 15 2HD ARG 15 1.800 4.731 -8.204
82 HE ARG 15 HE ARG 15 1.686 6.547 -10.382
83 1HH1 ARG 15 1HH1 ARG 15 2.976 3.240 -9.583
84 2HH1 ARG 15 2HH1 ARG 15 3.161 2.831 -11.227
85 1HH2 ARG 15 1HH2 ARG 15 1.877 5.861 -12.562
86 2HH2 ARG 15 2HH2 ARG 15 2.470 4.275 -12.939
87 H LYS 16 H LYS 16 0.351 5.617 -4.741
88 HA LYS 16 HA LYS 16 -2.285 6.416 -5.512
89 2HB LYS 16 2HB LYS 16 -1.736 4.520 -3.204
90 2HG LYS 16 2HG LYS 16 -3.363 3.110 -4.361
91 2HD LYS 16 2HD LYS 16 -4.518 5.929 -4.159
92 2HE LYS 16 2HE LYS 16 -6.074 4.390 -5.213
93 1HZ LYS 16 1HZ LYS 16 -7.006 2.628 -3.879
94 2HZ LYS 16 2HZ LYS 16 -5.421 2.323 -4.184
95 3HZ LYS 16 3HZ LYS 16 -5.888 2.858 -2.697
96 H CYS 17 H CYS 17 -0.465 6.623 -2.388
97 HA CYS 17 HA CYS 17 -2.569 8.463 -1.332
98 2HB CYS 17 2HB CYS 17 -1.086 6.194 0.001
99 HA PRO 18 HA PRO 18 1.048 11.085 -0.887
100 2HB PRO 18 2HB PRO 18 -0.486 12.797 -1.343
101 2HG PRO 18 2HG PRO 18 -2.647 12.864 -0.273
102 2HD PRO 18 2HD PRO 18 -2.514 10.830 -1.487
103 H GLY 19 H GLY 19 1.992 12.490 1.079
104 1HA GLY 19 1HA GLY 19 3.004 12.423 3.146
105 2HA GLY 19 2HA GLY 19 1.644 11.462 3.757
106 H ASN 20 H ASN 20 3.819 10.837 1.055
107 HA ASN 20 HA ASN 20 4.383 8.649 0.389
108 2HB ASN 20 2HB ASN 20 6.809 8.694 0.743
109 1HD2 ASN 20 1HD2 ASN 20 8.217 10.239 -0.360
110 2HD2 ASN 20 2HD2 ASN 20 7.501 11.570 -1.254
111 HA PRO 21 HA PRO 21 3.875 6.410 4.340
112 2HB PRO 21 2HB PRO 21 1.704 5.704 4.485
113 2HG PRO 21 2HG PRO 21 1.034 7.511 3.190
114 2HD PRO 21 2HD PRO 21 2.226 8.158 1.280
115 HA PRO 22 HA PRO 22 6.353 2.887 2.919
116 2HB PRO 22 2HB PRO 22 7.248 2.979 5.082
117 2HG PRO 22 2HG PRO 22 5.845 3.218 7.019
118 2HD PRO 22 2HD PRO 22 5.407 5.101 5.659
119 H CYS 23 H CYS 23 6.110 0.267 3.224
120 HA CYS 23 HA CYS 23 3.255 -0.451 2.793
121 2HB CYS 23 2HB CYS 23 3.895 -2.020 1.086
122 H ARG 24 H ARG 24 2.717 -2.574 3.363
123 HA ARG 24 HA ARG 24 4.708 -4.150 4.930
124 2HB ARG 24 2HB ARG 24 1.834 -3.534 5.745
125 2HG ARG 24 2HG ARG 24 4.033 -5.140 7.130
126 2HD ARG 24 2HD ARG 24 1.183 -4.465 7.975
127 HE ARG 24 HE ARG 24 2.828 -6.634 8.780
128 1HH1 ARG 24 1HH1 ARG 24 0.937 -4.040 10.223
129 2HH1 ARG 24 2HH1 ARG 24 0.567 -4.887 11.693
130 1HH2 ARG 24 1HH2 ARG 24 2.365 -7.812 10.722
131 2HH2 ARG 24 2HH2 ARG 24 1.412 -7.096 11.975
132 H ASN 25 H ASN 25 4.831 -6.103 3.964
133 HA ASN 25 HA ASN 25 4.388 -7.869 2.622
134 2HB ASN 25 2HB ASN 25 1.581 -7.827 3.788
135 1HD2 ASN 25 1HD2 ASN 25 1.596 -9.285 1.631
136 2HD2 ASN 25 2HD2 ASN 25 1.990 -10.980 1.933
137 H GLY 26 H GLY 26 4.153 -5.492 1.189
138 1HA GLY 26 1HA GLY 26 3.426 -4.717 -0.836
139 2HA GLY 26 2HA GLY 26 2.735 -6.316 -1.135
140 H PHE 27 H PHE 27 1.712 -4.337 1.650
141 HA PHE 27 HA PHE 27 -0.612 -3.260 0.134
142 2HB PHE 27 2HB PHE 27 -1.855 -3.303 2.266
143 HD1 PHE 27 HD1 PHE 27 -0.221 -6.583 2.538
144 HD2 PHE 27 HD2 PHE 27 -3.205 -4.317 0.418
145 HE1 PHE 27 HE1 PHE 27 -1.112 -8.677 1.550
146 HE2 PHE 27 HE2 PHE 27 -4.119 -6.405 -0.545
147 HZ PHE 27 HZ PHE 27 -3.066 -8.596 0.009
148 H CYS 28 H CYS 28 -1.063 -1.126 0.491
149 HA CYS 28 HA CYS 28 1.292 0.482 1.169
150 2HB CYS 28 2HB CYS 28 -1.485 1.088 0.087
151 H ALA 29 H ALA 29 1.625 1.401 3.194
152 HA ALA 29 HA ALA 29 -0.477 1.087 5.211
153 1HB ALA 29 1HB ALA 29 1.227 1.804 6.767
154 2HB ALA 29 2HB ALA 29 1.923 0.604 5.657
155 3HB ALA 29 3HB ALA 29 2.279 2.335 5.442
156 H CYS 30 H CYS 30 -1.542 2.721 3.347
157 HA CYS 30 HA CYS 30 -1.112 5.553 3.758
158 2HB CYS 30 2HB CYS 30 -3.522 4.016 2.701
159 H THR 31 H THR 31 -3.743 3.311 4.783
160 HA THR 31 HA THR 31 -5.109 5.049 6.476
161 HB THR 31 HB THR 31 -4.810 2.023 6.777
162 HG1 THR 31 HG1 THR 31 -6.397 3.475 4.936
163 1HG2 THR 31 1HG2 THR 31 -7.224 2.133 7.311
164 2HG2 THR 31 2HG2 THR 31 -6.282 3.104 8.457
165 3HG2 THR 31 3HG2 THR 31 -7.198 3.902 7.158
Start of MODEL 11
1 1H THR 1 1H THR 1 -9.909 -9.195 4.292
2 HA THR 1 HA THR 1 -8.722 -7.152 6.020
3 HB THR 1 HB THR 1 -7.105 -8.252 3.689
4 HG1 THR 1 HG1 THR 1 -7.347 -9.571 5.651
5 1HG2 THR 1 1HG2 THR 1 -6.343 -6.324 5.928
6 2HG2 THR 1 2HG2 THR 1 -5.300 -6.865 4.601
7 3HG2 THR 1 3HG2 THR 1 -6.687 -5.812 4.261
8 HA PRO 2 HA PRO 2 -11.339 -5.833 2.384
9 2HB PRO 2 2HB PRO 2 -13.244 -6.301 3.623
10 2HG PRO 2 2HG PRO 2 -13.364 -5.844 5.985
11 2HD PRO 2 2HD PRO 2 -11.586 -7.370 5.634
12 H PHE 3 H PHE 3 -8.940 -4.703 2.929
13 HA PHE 3 HA PHE 3 -9.242 -2.006 1.953
14 2HB PHE 3 2HB PHE 3 -9.575 -1.395 4.226
15 HD1 PHE 3 HD1 PHE 3 -10.109 -3.037 5.917
16 HD2 PHE 3 HD2 PHE 3 -6.011 -2.345 4.760
17 HE1 PHE 3 HE1 PHE 3 -9.333 -4.346 7.874
18 HE2 PHE 3 HE2 PHE 3 -5.244 -3.655 6.718
19 HZ PHE 3 HZ PHE 3 -6.902 -4.662 8.278
20 H ALA 4 H ALA 4 -7.974 -4.779 1.467
21 HA ALA 4 HA ALA 4 -5.113 -4.405 1.676
22 1HB ALA 4 1HB ALA 4 -6.132 -6.605 1.853
23 2HB ALA 4 2HB ALA 4 -6.847 -6.455 0.237
24 3HB ALA 4 3HB ALA 4 -5.086 -6.556 0.427
25 H ILE 5 H ILE 5 -5.310 -2.222 0.578
26 HA ILE 5 HA ILE 5 -5.503 -2.127 -2.333
27 HB ILE 5 HB ILE 5 -4.434 -0.156 -0.273
28 2HG1 ILE 5 2HG1 ILE 5 -6.884 -0.703 -0.119
29 1HG2 ILE 5 1HG2 ILE 5 -5.048 0.279 -3.233
30 2HG2 ILE 5 2HG2 ILE 5 -4.537 1.528 -2.080
31 3HG2 ILE 5 3HG2 ILE 5 -3.422 0.247 -2.518
32 1HD1 ILE 5 1HD1 ILE 5 -7.740 1.513 -0.095
33 2HD1 ILE 5 2HD1 ILE 5 -6.051 1.592 0.442
34 3HD1 ILE 5 3HD1 ILE 5 -6.497 2.104 -1.204
35 H LYS 6 H LYS 6 -3.933 -2.948 -3.634
36 HA LYS 6 HA LYS 6 -1.642 -4.180 -2.526
37 2HB LYS 6 2HB LYS 6 -1.034 -4.456 -5.044
38 2HG LYS 6 2HG LYS 6 -1.983 -6.306 -3.841
39 2HD LYS 6 2HD LYS 6 -4.658 -4.918 -4.320
40 2HE LYS 6 2HE LYS 6 -4.122 -7.628 -3.025
41 1HZ LYS 6 1HZ LYS 6 -5.943 -6.146 -2.174
42 2HZ LYS 6 2HZ LYS 6 -6.709 -6.359 -3.602
43 3HZ LYS 6 3HZ LYS 6 -6.417 -7.666 -2.645
44 H CYS 7 H CYS 7 0.534 -3.814 -2.665
45 HA CYS 7 HA CYS 7 1.620 -1.313 -3.807
46 2HB CYS 7 2HB CYS 7 1.724 -2.115 -0.863
47 H ALA 8 H ALA 8 3.578 -1.856 -4.764
48 HA ALA 8 HA ALA 8 5.001 -4.319 -3.790
49 1HB ALA 8 1HB ALA 8 4.917 -3.037 -6.555
50 2HB ALA 8 2HB ALA 8 5.896 -4.443 -6.077
51 3HB ALA 8 3HB ALA 8 4.123 -4.549 -6.073
52 H THR 9 H THR 9 5.334 -1.075 -5.197
53 HA THR 9 HA THR 9 8.134 -0.769 -4.197
54 HB THR 9 HB THR 9 8.037 1.279 -5.608
55 HG1 THR 9 HG1 THR 9 5.379 0.358 -6.188
56 1HG2 THR 9 1HG2 THR 9 8.785 -0.866 -6.623
57 2HG2 THR 9 2HG2 THR 9 7.117 -1.196 -7.143
58 3HG2 THR 9 3HG2 THR 9 7.990 0.201 -7.798
59 H ASP 10 H ASP 10 8.557 1.357 -2.881
60 HA ASP 10 HA ASP 10 6.351 1.953 -1.088
61 2HB ASP 10 2HB ASP 10 8.864 2.318 -0.605
62 H ALA 11 H ALA 11 7.872 3.564 -3.844
63 HA ALA 11 HA ALA 11 6.423 5.606 -4.603
64 1HB ALA 11 1HB ALA 11 7.044 3.365 -6.549
65 2HB ALA 11 2HB ALA 11 6.765 5.070 -6.943
66 3HB ALA 11 3HB ALA 11 8.178 4.605 -5.975
67 H ASP 12 H ASP 12 5.060 2.300 -5.213
68 HA ASP 12 HA ASP 12 2.570 2.820 -6.300
69 2HB ASP 12 2HB ASP 12 1.756 1.125 -4.386
70 H CYS 13 H CYS 13 3.370 2.900 -2.855
71 HA CYS 13 HA CYS 13 0.689 3.774 -2.128
72 2HB CYS 13 2HB CYS 13 3.161 3.242 -0.448
73 H SER 14 H SER 14 3.991 5.091 -2.090
74 HA SER 14 HA SER 14 3.258 7.812 -1.392
75 2HB SER 14 2HB SER 14 5.756 6.795 -2.803
76 HG SER 14 HG SER 14 6.645 8.637 -1.823
77 H ARG 15 H ARG 15 1.435 7.291 -3.133
78 HA ARG 15 HA ARG 15 1.583 9.137 -5.239
79 2HB ARG 15 2HB ARG 15 1.822 6.240 -6.212
80 2HG ARG 15 2HG ARG 15 2.300 7.536 -8.392
81 2HD ARG 15 2HD ARG 15 -0.625 7.708 -7.591
82 HE ARG 15 HE ARG 15 -0.693 8.079 -9.823
83 1HH1 ARG 15 1HH1 ARG 15 1.687 5.561 -9.213
84 2HH1 ARG 15 2HH1 ARG 15 1.913 5.117 -10.877
85 1HH2 ARG 15 1HH2 ARG 15 -0.401 7.561 -12.067
86 2HH2 ARG 15 2HH2 ARG 15 0.702 6.313 -12.541
87 H LYS 16 H LYS 16 0.245 5.878 -4.418
88 HA LYS 16 HA LYS 16 -2.496 6.634 -4.934
89 2HB LYS 16 2HB LYS 16 -2.925 4.587 -3.399
90 2HG LYS 16 2HG LYS 16 -1.381 4.499 -6.016
91 2HD LYS 16 2HD LYS 16 -2.653 2.264 -6.269
92 2HE LYS 16 2HE LYS 16 -0.298 2.195 -4.346
93 1HZ LYS 16 1HZ LYS 16 -0.916 -0.001 -4.925
94 2HZ LYS 16 2HZ LYS 16 -1.162 0.385 -6.515
95 3HZ LYS 16 3HZ LYS 16 0.339 0.368 -5.910
96 H CYS 17 H CYS 17 -0.362 7.202 -2.142
97 HA CYS 17 HA CYS 17 -2.450 8.898 -0.965
98 2HB CYS 17 2HB CYS 17 -1.306 6.391 0.279
99 HA PRO 18 HA PRO 18 1.310 11.179 -0.585
100 2HB PRO 18 2HB PRO 18 -0.090 13.020 -0.845
101 2HG PRO 18 2HG PRO 18 -2.143 13.220 0.412
102 2HD PRO 18 2HD PRO 18 -2.235 11.222 -0.869
103 H GLY 19 H GLY 19 2.795 12.232 1.014
104 1HA GLY 19 1HA GLY 19 3.820 12.476 3.076
105 2HA GLY 19 2HA GLY 19 2.608 11.443 3.841
106 H ASN 20 H ASN 20 4.336 10.493 0.950
107 HA ASN 20 HA ASN 20 5.157 8.500 0.468
108 2HB ASN 20 2HB ASN 20 7.472 9.163 2.301
109 1HD2 ASN 20 1HD2 ASN 20 7.500 6.627 1.524
110 2HD2 ASN 20 2HD2 ASN 20 8.326 6.352 -0.035
111 HA PRO 21 HA PRO 21 4.100 5.954 4.229
112 2HB PRO 21 2HB PRO 21 1.826 6.265 4.174
113 2HG PRO 21 2HG PRO 21 0.728 7.024 2.171
114 2HD PRO 21 2HD PRO 21 2.456 8.507 2.749
115 HA PRO 22 HA PRO 22 6.021 2.862 1.502
116 2HB PRO 22 2HB PRO 22 7.512 2.746 3.332
117 2HG PRO 22 2HG PRO 22 6.698 2.508 5.597
118 2HD PRO 22 2HD PRO 22 5.891 4.565 4.771
119 H CYS 23 H CYS 23 5.925 0.274 1.393
120 HA CYS 23 HA CYS 23 3.116 -0.612 1.490
121 2HB CYS 23 2HB CYS 23 3.869 -2.707 0.697
122 H ARG 24 H ARG 24 2.278 -1.490 3.307
123 HA ARG 24 HA ARG 24 3.939 -2.892 5.317
124 2HB ARG 24 2HB ARG 24 0.930 -2.914 4.817
125 2HG ARG 24 2HG ARG 24 2.672 -3.973 7.098
126 2HD ARG 24 2HD ARG 24 -0.357 -3.900 6.783
127 HE ARG 24 HE ARG 24 1.224 -5.700 8.263
128 1HH1 ARG 24 1HH1 ARG 24 -1.414 -3.448 8.851
129 2HH1 ARG 24 2HH1 ARG 24 -2.087 -4.313 10.199
130 1HH2 ARG 24 1HH2 ARG 24 0.370 -6.897 10.052
131 2HH2 ARG 24 2HH2 ARG 24 -1.037 -6.336 10.892
132 H ASN 25 H ASN 25 5.163 -3.886 3.651
133 HA ASN 25 HA ASN 25 5.534 -5.271 1.786
134 2HB ASN 25 2HB ASN 25 5.851 -7.517 2.795
135 1HD2 ASN 25 1HD2 ASN 25 7.660 -7.955 4.300
136 2HD2 ASN 25 2HD2 ASN 25 8.687 -6.607 4.757
137 H GLY 26 H GLY 26 3.610 -4.800 0.448
138 1HA GLY 26 1HA GLY 26 2.444 -6.418 -1.062
139 2HA GLY 26 2HA GLY 26 1.634 -7.061 0.374
140 H PHE 27 H PHE 27 1.253 -4.507 1.745
141 HA PHE 27 HA PHE 27 -0.833 -3.347 -0.046
142 2HB PHE 27 2HB PHE 27 -2.355 -3.281 1.819
143 HD1 PHE 27 HD1 PHE 27 -1.427 -6.023 3.680
144 HD2 PHE 27 HD2 PHE 27 -2.353 -5.058 -0.419
145 HE1 PHE 27 HE1 PHE 27 -1.860 -8.411 3.212
146 HE2 PHE 27 HE2 PHE 27 -2.638 -7.469 -0.911
147 HZ PHE 27 HZ PHE 27 -2.439 -9.147 0.912
148 H CYS 28 H CYS 28 -1.306 -1.184 0.102
149 HA CYS 28 HA CYS 28 0.911 0.506 0.775
150 2HB CYS 28 2HB CYS 28 -1.942 1.013 -0.119
151 H ALA 29 H ALA 29 1.504 1.257 2.771
152 HA ALA 29 HA ALA 29 -0.380 1.032 5.012
153 1HB ALA 29 1HB ALA 29 2.487 2.045 4.942
154 2HB ALA 29 2HB ALA 29 1.540 1.605 6.376
155 3HB ALA 29 3HB ALA 29 2.002 0.358 5.202
156 H CYS 30 H CYS 30 -1.649 2.738 3.464
157 HA CYS 30 HA CYS 30 -0.918 5.535 3.819
158 2HB CYS 30 2HB CYS 30 -3.576 4.274 3.099
159 H THR 31 H THR 31 -0.466 5.188 6.173
160 HA THR 31 HA THR 31 -2.423 4.691 8.103
161 HB THR 31 HB THR 31 -0.030 4.731 8.571
162 HG1 THR 31 HG1 THR 31 -1.503 5.110 10.288
163 1HG2 THR 31 1HG2 THR 31 0.685 6.689 7.215
164 2HG2 THR 31 2HG2 THR 31 -0.183 7.772 8.329
165 3HG2 THR 31 3HG2 THR 31 1.199 6.828 8.903
Start of MODEL 12
1 1H THR 1 1H THR 1 -9.284 -8.350 -0.184
2 HA THR 1 HA THR 1 -11.401 -8.033 1.746
3 HB THR 1 HB THR 1 -8.484 -7.644 2.563
4 HG1 THR 1 HG1 THR 1 -9.429 -9.809 2.463
5 1HG2 THR 1 1HG2 THR 1 -9.970 -5.969 3.651
6 2HG2 THR 1 2HG2 THR 1 -11.022 -7.291 4.221
7 3HG2 THR 1 3HG2 THR 1 -9.356 -7.162 4.809
8 HA PRO 2 HA PRO 2 -11.192 -4.389 -0.815
9 2HB PRO 2 2HB PRO 2 -13.357 -3.869 -0.296
10 2HG PRO 2 2HG PRO 2 -14.267 -4.382 1.852
11 2HD PRO 2 2HD PRO 2 -13.220 -6.374 1.040
12 H PHE 3 H PHE 3 -10.510 -3.931 2.660
13 HA PHE 3 HA PHE 3 -9.000 -1.575 2.456
14 2HB PHE 3 2HB PHE 3 -8.313 -2.024 4.684
15 HD1 PHE 3 HD1 PHE 3 -10.193 -4.674 5.789
16 HD2 PHE 3 HD2 PHE 3 -10.777 -0.809 3.948
17 HE1 PHE 3 HE1 PHE 3 -12.559 -4.685 6.502
18 HE2 PHE 3 HE2 PHE 3 -13.136 -0.818 4.699
19 HZ PHE 3 HZ PHE 3 -14.038 -2.763 5.958
20 H ALA 4 H ALA 4 -8.090 -4.759 1.340
21 HA ALA 4 HA ALA 4 -5.231 -4.438 1.880
22 1HB ALA 4 1HB ALA 4 -5.025 -6.578 0.751
23 2HB ALA 4 2HB ALA 4 -6.322 -6.643 1.954
24 3HB ALA 4 3HB ALA 4 -6.711 -6.513 0.222
25 H ILE 5 H ILE 5 -5.552 -2.206 0.727
26 HA ILE 5 HA ILE 5 -5.410 -2.133 -2.161
27 HB ILE 5 HB ILE 5 -4.349 -0.204 -0.052
28 2HG1 ILE 5 2HG1 ILE 5 -6.813 -0.574 0.047
29 1HG2 ILE 5 1HG2 ILE 5 -4.840 0.234 -3.033
30 2HG2 ILE 5 2HG2 ILE 5 -4.257 1.451 -1.875
31 3HG2 ILE 5 3HG2 ILE 5 -3.239 0.080 -2.282
32 1HD1 ILE 5 1HD1 ILE 5 -5.882 1.713 0.479
33 2HD1 ILE 5 2HD1 ILE 5 -6.275 2.137 -1.206
34 3HD1 ILE 5 3HD1 ILE 5 -7.563 1.673 -0.088
35 H LYS 6 H LYS 6 -3.784 -3.075 -3.319
36 HA LYS 6 HA LYS 6 -1.538 -4.241 -1.995
37 2HB LYS 6 2HB LYS 6 -0.879 -4.435 -4.638
38 2HG LYS 6 2HG LYS 6 -1.164 -6.293 -3.118
39 2HD LYS 6 2HD LYS 6 -3.329 -5.830 -2.094
40 2HE LYS 6 2HE LYS 6 -4.682 -4.961 -3.945
41 1HZ LYS 6 1HZ LYS 6 -5.523 -6.482 -5.587
42 2HZ LYS 6 2HZ LYS 6 -3.889 -6.370 -5.718
43 3HZ LYS 6 3HZ LYS 6 -4.573 -7.701 -5.026
44 H CYS 7 H CYS 7 0.702 -3.962 -2.441
45 HA CYS 7 HA CYS 7 1.738 -1.496 -3.657
46 2HB CYS 7 2HB CYS 7 1.990 -2.120 -0.673
47 H ALA 8 H ALA 8 3.643 -2.183 -4.703
48 HA ALA 8 HA ALA 8 4.918 -4.719 -3.726
49 1HB ALA 8 1HB ALA 8 5.952 -4.770 -5.939
50 2HB ALA 8 2HB ALA 8 4.183 -4.720 -6.074
51 3HB ALA 8 3HB ALA 8 5.141 -3.258 -6.389
52 H THR 9 H THR 9 5.396 -1.343 -4.645
53 HA THR 9 HA THR 9 8.090 -1.226 -3.357
54 HB THR 9 HB THR 9 8.526 0.531 -5.077
55 HG1 THR 9 HG1 THR 9 5.939 -0.264 -6.009
56 1HG2 THR 9 1HG2 THR 9 7.713 -2.132 -6.335
57 2HG2 THR 9 2HG2 THR 9 8.861 -0.948 -6.986
58 3HG2 THR 9 3HG2 THR 9 9.245 -1.818 -5.487
59 H ASP 10 H ASP 10 8.452 0.647 -2.118
60 HA ASP 10 HA ASP 10 6.546 2.079 -0.697
61 2HB ASP 10 2HB ASP 10 8.835 2.311 -0.130
62 H ALA 11 H ALA 11 8.140 3.261 -3.682
63 HA ALA 11 HA ALA 11 6.742 5.268 -4.590
64 1HB ALA 11 1HB ALA 11 7.345 2.829 -6.300
65 2HB ALA 11 2HB ALA 11 7.089 4.485 -6.886
66 3HB ALA 11 3HB ALA 11 8.490 4.113 -5.857
67 H ASP 12 H ASP 12 5.236 1.943 -4.843
68 HA ASP 12 HA ASP 12 2.979 2.750 -6.389
69 2HB ASP 12 2HB ASP 12 1.806 0.819 -5.301
70 H CYS 13 H CYS 13 3.398 2.399 -2.880
71 HA CYS 13 HA CYS 13 0.749 3.361 -2.263
72 2HB CYS 13 2HB CYS 13 3.174 2.975 -0.479
73 H SER 14 H SER 14 4.007 4.754 -2.083
74 HA SER 14 HA SER 14 3.180 7.468 -1.475
75 2HB SER 14 2HB SER 14 5.798 6.337 -2.551
76 HG SER 14 HG SER 14 5.530 8.577 -2.806
77 H ARG 15 H ARG 15 1.587 6.742 -3.465
78 HA ARG 15 HA ARG 15 1.928 8.701 -5.477
79 2HB ARG 15 2HB ARG 15 2.253 5.818 -6.469
80 2HG ARG 15 2HG ARG 15 2.802 7.294 -8.609
81 2HD ARG 15 2HD ARG 15 -0.008 6.444 -7.752
82 HE ARG 15 HE ARG 15 0.511 6.899 -10.560
83 1HH1 ARG 15 1HH1 ARG 15 -0.713 8.500 -7.599
84 2HH1 ARG 15 2HH1 ARG 15 -1.664 9.649 -8.468
85 1HH2 ARG 15 1HH2 ARG 15 -0.758 8.447 -11.691
86 2HH2 ARG 15 2HH2 ARG 15 -1.692 9.625 -10.831
87 H LYS 16 H LYS 16 0.423 5.578 -4.536
88 HA LYS 16 HA LYS 16 -2.265 6.269 -5.307
89 2HB LYS 16 2HB LYS 16 -2.810 4.683 -3.341
90 2HG LYS 16 2HG LYS 16 -1.619 2.658 -4.397
91 2HD LYS 16 2HD LYS 16 -2.753 2.769 -6.597
92 2HE LYS 16 2HE LYS 16 -4.541 3.801 -4.332
93 1HZ LYS 16 1HZ LYS 16 -5.184 2.129 -6.659
94 2HZ LYS 16 2HZ LYS 16 -6.204 2.533 -5.434
95 3HZ LYS 16 3HZ LYS 16 -5.639 3.698 -6.445
96 H CYS 17 H CYS 17 -0.322 6.922 -2.350
97 HA CYS 17 HA CYS 17 -2.353 8.880 -1.425
98 2HB CYS 17 2HB CYS 17 -1.319 6.386 -0.065
99 HA PRO 18 HA PRO 18 1.486 11.032 -1.018
100 2HB PRO 18 2HB PRO 18 0.141 12.878 -1.518
101 2HG PRO 18 2HG PRO 18 -1.947 13.256 -0.359
102 2HD PRO 18 2HD PRO 18 -2.068 11.163 -1.469
103 H GLY 19 H GLY 19 2.861 12.243 0.612
104 1HA GLY 19 1HA GLY 19 3.761 12.604 2.707
105 2HA GLY 19 2HA GLY 19 2.455 11.683 3.461
106 H ASN 20 H ASN 20 4.411 10.472 0.802
107 HA ASN 20 HA ASN 20 5.314 8.451 0.537
108 2HB ASN 20 2HB ASN 20 7.227 9.504 2.630
109 1HD2 ASN 20 1HD2 ASN 20 9.556 8.969 1.900
110 2HD2 ASN 20 2HD2 ASN 20 9.796 7.376 1.199
111 HA PRO 21 HA PRO 21 3.789 5.996 4.162
112 2HB PRO 21 2HB PRO 21 1.547 6.396 3.847
113 2HG PRO 21 2HG PRO 21 0.679 7.060 1.702
114 2HD PRO 21 2HD PRO 21 2.357 8.560 2.352
115 HA PRO 22 HA PRO 22 6.005 2.976 1.565
116 2HB PRO 22 2HB PRO 22 7.461 2.974 3.413
117 2HG PRO 22 2HG PRO 22 6.624 2.787 5.673
118 2HD PRO 22 2HD PRO 22 5.738 4.775 4.750
119 H CYS 23 H CYS 23 6.038 0.406 1.457
120 HA CYS 23 HA CYS 23 3.293 -0.634 1.496
121 2HB CYS 23 2HB CYS 23 4.194 -2.726 0.833
122 H ARG 24 H ARG 24 2.423 -1.323 3.375
123 HA ARG 24 HA ARG 24 3.988 -2.693 5.478
124 2HB ARG 24 2HB ARG 24 0.999 -2.662 4.872
125 2HG ARG 24 2HG ARG 24 2.605 -3.703 7.258
126 2HD ARG 24 2HD ARG 24 -0.399 -3.603 6.754
127 HE ARG 24 HE ARG 24 1.065 -5.399 8.359
128 1HH1 ARG 24 1HH1 ARG 24 -1.602 -3.137 8.720
129 2HH1 ARG 24 2HH1 ARG 24 -2.382 -3.988 10.020
130 1HH2 ARG 24 1HH2 ARG 24 0.070 -6.581 10.083
131 2HH2 ARG 24 2HH2 ARG 24 -1.395 -6.007 10.808
132 H ASN 25 H ASN 25 5.223 -3.746 3.840
133 HA ASN 25 HA ASN 25 5.649 -5.285 2.141
134 2HB ASN 25 2HB ASN 25 4.835 -6.849 4.613
135 1HD2 ASN 25 1HD2 ASN 25 7.130 -6.868 1.760
136 2HD2 ASN 25 2HD2 ASN 25 7.084 -8.612 1.612
137 H GLY 26 H GLY 26 4.009 -4.941 0.531
138 1HA GLY 26 1HA GLY 26 2.811 -6.377 -0.983
139 2HA GLY 26 2HA GLY 26 1.999 -7.161 0.369
140 H PHE 27 H PHE 27 1.644 -4.452 1.767
141 HA PHE 27 HA PHE 27 -0.659 -3.521 0.126
142 2HB PHE 27 2HB PHE 27 -2.004 -3.566 2.125
143 HD1 PHE 27 HD1 PHE 27 -2.764 -5.256 0.346
144 HD2 PHE 27 HD2 PHE 27 0.213 -6.243 3.300
145 HE1 PHE 27 HE1 PHE 27 -2.978 -7.670 -0.227
146 HE2 PHE 27 HE2 PHE 27 0.037 -8.626 2.690
147 HZ PHE 27 HZ PHE 27 -1.570 -9.352 0.933
148 H CYS 28 H CYS 28 -1.241 -1.354 0.283
149 HA CYS 28 HA CYS 28 0.958 0.431 0.831
150 2HB CYS 28 2HB CYS 28 -1.908 0.812 -0.094
151 H ALA 29 H ALA 29 1.501 1.264 2.815
152 HA ALA 29 HA ALA 29 -0.468 1.218 5.004
153 1HB ALA 29 1HB ALA 29 1.412 1.889 6.380
154 2HB ALA 29 2HB ALA 29 1.908 0.553 5.324
155 3HB ALA 29 3HB ALA 29 2.404 2.212 4.946
156 H CYS 30 H CYS 30 -1.601 2.827 3.176
157 HA CYS 30 HA CYS 30 -0.821 5.586 3.201
158 2HB CYS 30 2HB CYS 30 -3.546 4.306 2.843
159 H THR 31 H THR 31 -1.461 7.340 4.525
160 HA THR 31 HA THR 31 -2.036 6.934 7.285
161 HB THR 31 HB THR 31 -2.620 9.433 7.050
162 HG1 THR 31 HG1 THR 31 -3.291 9.146 4.845
163 1HG2 THR 31 1HG2 THR 31 0.034 8.533 5.819
164 2HG2 THR 31 2HG2 THR 31 -0.322 10.126 6.511
165 3HG2 THR 31 3HG2 THR 31 -0.300 8.693 7.559
Start of MODEL 13
1 1H THR 1 1H THR 1 -8.209 -4.046 -3.645
2 HA THR 1 HA THR 1 -9.353 -6.661 -3.316
3 HB THR 1 HB THR 1 -7.721 -6.340 -1.203
4 HG1 THR 1 HG1 THR 1 -6.449 -4.659 -1.347
5 1HG2 THR 1 1HG2 THR 1 -7.281 -7.857 -3.111
6 2HG2 THR 1 2HG2 THR 1 -6.688 -6.481 -4.068
7 3HG2 THR 1 3HG2 THR 1 -5.815 -7.000 -2.608
8 HA PRO 2 HA PRO 2 -12.438 -5.423 -0.360
9 2HB PRO 2 2HB PRO 2 -13.101 -7.649 -0.454
10 2HG PRO 2 2HG PRO 2 -11.510 -9.451 -0.306
11 2HD PRO 2 2HD PRO 2 -10.902 -8.103 -2.164
12 H PHE 3 H PHE 3 -10.800 -3.784 0.233
13 HA PHE 3 HA PHE 3 -9.702 -2.499 1.720
14 2HB PHE 3 2HB PHE 3 -9.964 -4.648 3.861
15 HD1 PHE 3 HD1 PHE 3 -8.424 -4.193 5.581
16 HD2 PHE 3 HD2 PHE 3 -10.286 -0.901 3.498
17 HE1 PHE 3 HE1 PHE 3 -7.139 -2.585 6.960
18 HE2 PHE 3 HE2 PHE 3 -8.989 0.699 4.876
19 HZ PHE 3 HZ PHE 3 -7.405 -0.139 6.600
20 H ALA 4 H ALA 4 -7.501 -2.970 3.236
21 HA ALA 4 HA ALA 4 -5.279 -3.316 2.931
22 1HB ALA 4 1HB ALA 4 -4.513 -5.594 2.525
23 2HB ALA 4 2HB ALA 4 -5.874 -5.594 3.660
24 3HB ALA 4 3HB ALA 4 -6.125 -6.086 1.973
25 H ILE 5 H ILE 5 -5.688 -1.629 1.251
26 HA ILE 5 HA ILE 5 -5.957 -2.176 -1.502
27 HB ILE 5 HB ILE 5 -4.562 0.146 -0.105
28 2HG1 ILE 5 2HG1 ILE 5 -6.949 -0.186 0.562
29 1HG2 ILE 5 1HG2 ILE 5 -3.911 0.001 -2.500
30 2HG2 ILE 5 2HG2 ILE 5 -5.625 -0.073 -2.961
31 3HG2 ILE 5 3HG2 ILE 5 -4.944 1.388 -2.219
32 1HD1 ILE 5 1HD1 ILE 5 -6.021 2.142 0.303
33 2HD1 ILE 5 2HD1 ILE 5 -6.802 2.197 -1.299
34 3HD1 ILE 5 3HD1 ILE 5 -7.782 1.982 0.152
35 H LYS 6 H LYS 6 -4.555 -3.020 -2.987
36 HA LYS 6 HA LYS 6 -2.087 -4.152 -2.221
37 2HB LYS 6 2HB LYS 6 -1.731 -4.201 -4.828
38 2HG LYS 6 2HG LYS 6 -4.078 -5.566 -4.972
39 2HD LYS 6 2HD LYS 6 -1.911 -6.644 -5.332
40 2HE LYS 6 2HE LYS 6 -1.061 -7.801 -3.050
41 1HZ LYS 6 1HZ LYS 6 0.540 -6.661 -4.255
42 2HZ LYS 6 2HZ LYS 6 -0.076 -5.167 -4.000
43 3HZ LYS 6 3HZ LYS 6 0.549 -5.963 -2.762
44 H CYS 7 H CYS 7 -0.028 -3.526 -2.257
45 HA CYS 7 HA CYS 7 0.764 -0.963 -3.575
46 2HB CYS 7 2HB CYS 7 2.088 -2.454 -1.257
47 H ALA 8 H ALA 8 3.116 -1.282 -4.429
48 HA ALA 8 HA ALA 8 3.809 -4.087 -5.045
49 1HB ALA 8 1HB ALA 8 2.654 -3.465 -7.059
50 2HB ALA 8 2HB ALA 8 3.531 -1.935 -7.177
51 3HB ALA 8 3HB ALA 8 4.398 -3.472 -7.384
52 H THR 9 H THR 9 5.092 -0.798 -5.982
53 HA THR 9 HA THR 9 7.479 -1.404 -4.258
54 HB THR 9 HB THR 9 8.543 0.459 -5.373
55 HG1 THR 9 HG1 THR 9 6.127 0.639 -6.876
56 1HG2 THR 9 1HG2 THR 9 7.331 -1.449 -7.430
57 2HG2 THR 9 2HG2 THR 9 8.823 -0.506 -7.598
58 3HG2 THR 9 3HG2 THR 9 8.733 -1.807 -6.393
59 H ASP 10 H ASP 10 8.108 0.248 -2.721
60 HA ASP 10 HA ASP 10 6.197 1.427 -1.052
61 2HB ASP 10 2HB ASP 10 8.451 1.268 -0.315
62 H ALA 11 H ALA 11 8.116 3.128 -3.561
63 HA ALA 11 HA ALA 11 6.917 5.419 -4.038
64 1HB ALA 11 1HB ALA 11 7.375 5.191 -6.413
65 2HB ALA 11 2HB ALA 11 8.676 4.471 -5.444
66 3HB ALA 11 3HB ALA 11 7.488 3.431 -6.254
67 H ASP 12 H ASP 12 5.274 2.324 -5.067
68 HA ASP 12 HA ASP 12 3.156 3.698 -6.414
69 2HB ASP 12 2HB ASP 12 1.926 1.548 -6.267
70 H CYS 13 H CYS 13 3.617 2.728 -3.034
71 HA CYS 13 HA CYS 13 0.836 3.391 -2.348
72 2HB CYS 13 2HB CYS 13 3.251 2.884 -0.582
73 H SER 14 H SER 14 4.054 4.820 -2.025
74 HA SER 14 HA SER 14 3.211 7.466 -1.172
75 2HB SER 14 2HB SER 14 5.788 6.353 -2.344
76 HG SER 14 HG SER 14 5.592 8.602 -2.573
77 H ARG 15 H ARG 15 1.542 7.053 -3.106
78 HA ARG 15 HA ARG 15 1.890 8.870 -5.301
79 2HB ARG 15 2HB ARG 15 2.322 5.908 -5.750
80 2HG ARG 15 2HG ARG 15 2.099 7.812 -8.060
81 2HD ARG 15 2HD ARG 15 1.795 4.774 -7.819
82 HE ARG 15 HE ARG 15 1.529 6.517 -10.031
83 1HH1 ARG 15 1HH1 ARG 15 3.038 3.274 -9.246
84 2HH1 ARG 15 2HH1 ARG 15 3.072 2.832 -10.884
85 1HH2 ARG 15 1HH2 ARG 15 1.567 5.766 -12.189
86 2HH2 ARG 15 2HH2 ARG 15 2.198 4.195 -12.568
87 H LYS 16 H LYS 16 0.453 5.666 -4.416
88 HA LYS 16 HA LYS 16 -2.208 6.275 -5.122
89 2HB LYS 16 2HB LYS 16 -1.209 4.452 -2.880
90 2HG LYS 16 2HG LYS 16 -3.211 3.076 -3.844
91 2HD LYS 16 2HD LYS 16 -3.230 5.189 -1.761
92 2HE LYS 16 2HE LYS 16 -5.606 4.951 -1.273
93 1HZ LYS 16 1HZ LYS 16 -4.816 6.762 -2.822
94 2HZ LYS 16 2HZ LYS 16 -5.464 5.910 -4.044
95 3HZ LYS 16 3HZ LYS 16 -6.439 6.444 -2.833
96 H CYS 17 H CYS 17 -0.372 7.015 -2.095
97 HA CYS 17 HA CYS 17 -2.364 9.064 -1.461
98 2HB CYS 17 2HB CYS 17 -3.367 7.209 -0.370
99 HA PRO 18 HA PRO 18 1.369 11.058 -0.469
100 2HB PRO 18 2HB PRO 18 0.023 12.949 -0.799
101 2HG PRO 18 2HG PRO 18 -2.083 13.205 0.367
102 2HD PRO 18 2HD PRO 18 -2.173 11.270 -0.993
103 H GLY 19 H GLY 19 2.591 12.210 1.409
104 1HA GLY 19 1HA GLY 19 3.402 12.270 3.575
105 2HA GLY 19 2HA GLY 19 2.199 11.085 4.098
106 H ASN 20 H ASN 20 4.014 10.365 1.244
107 HA ASN 20 HA ASN 20 5.198 8.567 0.685
108 2HB ASN 20 2HB ASN 20 7.494 8.521 1.570
109 1HD2 ASN 20 1HD2 ASN 20 6.648 9.541 -0.720
110 2HD2 ASN 20 2HD2 ASN 20 7.158 11.216 -0.884
111 HA PRO 21 HA PRO 21 4.004 5.644 4.134
112 2HB PRO 21 2HB PRO 21 1.737 5.974 4.108
113 2HG PRO 21 2HG PRO 21 0.635 6.870 2.187
114 2HD PRO 21 2HD PRO 21 2.333 8.299 2.785
115 HA PRO 22 HA PRO 22 5.838 2.730 1.137
116 2HB PRO 22 2HB PRO 22 7.454 2.657 2.861
117 2HG PRO 22 2HG PRO 22 6.811 2.273 5.164
118 2HD PRO 22 2HD PRO 22 5.846 4.309 4.491
119 H CYS 23 H CYS 23 5.896 0.178 0.937
120 HA CYS 23 HA CYS 23 3.182 -0.922 1.057
121 2HB CYS 23 2HB CYS 23 4.110 -2.938 0.240
122 H ARG 24 H ARG 24 2.481 -1.411 3.138
123 HA ARG 24 HA ARG 24 4.181 -2.873 5.068
124 2HB ARG 24 2HB ARG 24 1.163 -2.509 4.887
125 2HG ARG 24 2HG ARG 24 2.908 -3.775 7.059
126 2HD ARG 24 2HD ARG 24 -0.107 -3.435 6.821
127 HE ARG 24 HE ARG 24 1.436 -5.366 8.265
128 1HH1 ARG 24 1HH1 ARG 24 -1.310 -3.208 8.699
129 2HH1 ARG 24 2HH1 ARG 24 -2.139 -4.205 9.855
130 1HH2 ARG 24 1HH2 ARG 24 0.389 -6.726 9.813
131 2HH2 ARG 24 2HH2 ARG 24 -1.126 -6.262 10.515
132 H ASN 25 H ASN 25 5.077 -4.494 3.760
133 HA ASN 25 HA ASN 25 5.190 -6.616 2.886
134 2HB ASN 25 2HB ASN 25 3.727 -8.279 3.894
135 1HD2 ASN 25 1HD2 ASN 25 6.032 -7.889 4.878
136 2HD2 ASN 25 2HD2 ASN 25 6.035 -7.326 6.538
137 H GLY 26 H GLY 26 4.230 -4.806 1.064
138 1HA GLY 26 1HA GLY 26 3.458 -4.944 -1.116
139 2HA GLY 26 2HA GLY 26 2.775 -6.536 -0.789
140 H PHE 27 H PHE 27 1.683 -4.241 1.567
141 HA PHE 27 HA PHE 27 -0.696 -3.467 -0.062
142 2HB PHE 27 2HB PHE 27 -2.011 -3.681 1.983
143 HD1 PHE 27 HD1 PHE 27 0.219 -6.535 2.641
144 HD2 PHE 27 HD2 PHE 27 -2.932 -5.084 0.095
145 HE1 PHE 27 HE1 PHE 27 -0.224 -8.844 1.875
146 HE2 PHE 27 HE2 PHE 27 -3.500 -7.416 -0.538
147 HZ PHE 27 HZ PHE 27 -2.114 -9.304 0.320
148 H CYS 28 H CYS 28 -1.417 -1.342 0.236
149 HA CYS 28 HA CYS 28 0.830 0.385 0.767
150 2HB CYS 28 2HB CYS 28 -1.973 0.856 -0.266
151 H ALA 29 H ALA 29 1.395 1.174 2.704
152 HA ALA 29 HA ALA 29 -0.504 1.046 4.916
153 1HB ALA 29 1HB ALA 29 1.460 1.523 6.267
154 2HB ALA 29 2HB ALA 29 1.866 0.307 5.037
155 3HB ALA 29 3HB ALA 29 2.387 1.983 4.821
156 H CYS 30 H CYS 30 -1.694 2.903 3.351
157 HA CYS 30 HA CYS 30 -0.848 5.556 3.435
158 2HB CYS 30 2HB CYS 30 -3.220 6.260 3.405
159 H THR 31 H THR 31 -2.525 3.801 6.014
160 HA THR 31 HA THR 31 -1.650 5.856 7.976
161 HB THR 31 HB THR 31 -3.851 6.601 7.535
162 HG1 THR 31 HG1 THR 31 -3.898 4.867 9.772
163 1HG2 THR 31 1HG2 THR 31 -5.859 5.159 7.665
164 2HG2 THR 31 2HG2 THR 31 -4.829 4.735 6.294
165 3HG2 THR 31 3HG2 THR 31 -4.832 3.717 7.753
Start of MODEL 14
1 1H THR 1 1H THR 1 -14.986 -9.234 2.307
2 HA THR 1 HA THR 1 -14.122 -6.869 2.934
3 HB THR 1 HB THR 1 -12.590 -9.395 3.679
4 HG1 THR 1 HG1 THR 1 -14.378 -9.814 5.028
5 1HG2 THR 1 1HG2 THR 1 -12.756 -8.430 5.985
6 2HG2 THR 1 2HG2 THR 1 -11.821 -7.402 4.900
7 3HG2 THR 1 3HG2 THR 1 -13.502 -6.969 5.307
8 HA PRO 2 HA PRO 2 -10.614 -7.258 -0.192
9 2HB PRO 2 2HB PRO 2 -12.117 -6.962 -1.956
10 2HG PRO 2 2HG PRO 2 -13.898 -5.324 -1.838
11 2HD PRO 2 2HD PRO 2 -14.199 -6.974 -0.180
12 H PHE 3 H PHE 3 -10.309 -6.015 2.296
13 HA PHE 3 HA PHE 3 -9.289 -3.261 1.888
14 2HB PHE 3 2HB PHE 3 -8.607 -3.505 4.281
15 HD1 PHE 3 HD1 PHE 3 -11.840 -5.331 3.915
16 HD2 PHE 3 HD2 PHE 3 -9.941 -1.506 4.474
17 HE1 PHE 3 HE1 PHE 3 -14.047 -4.309 4.410
18 HE2 PHE 3 HE2 PHE 3 -12.143 -0.492 4.980
19 HZ PHE 3 HZ PHE 3 -14.199 -1.888 4.946
20 H ALA 4 H ALA 4 -8.066 -4.490 0.072
21 HA ALA 4 HA ALA 4 -5.327 -5.264 1.005
22 1HB ALA 4 1HB ALA 4 -6.659 -7.319 0.751
23 2HB ALA 4 2HB ALA 4 -7.119 -6.839 -0.896
24 3HB ALA 4 3HB ALA 4 -5.423 -7.211 -0.510
25 H ILE 5 H ILE 5 -5.642 -2.830 0.221
26 HA ILE 5 HA ILE 5 -5.309 -2.322 -2.616
27 HB ILE 5 HB ILE 5 -4.467 -0.684 -0.183
28 2HG1 ILE 5 2HG1 ILE 5 -6.914 -1.130 -0.221
29 1HG2 ILE 5 1HG2 ILE 5 -3.302 -0.080 -2.343
30 2HG2 ILE 5 2HG2 ILE 5 -4.892 0.189 -3.078
31 3HG2 ILE 5 3HG2 ILE 5 -4.333 1.206 -1.732
32 1HD1 ILE 5 1HD1 ILE 5 -7.716 1.097 -0.072
33 2HD1 ILE 5 2HD1 ILE 5 -6.046 1.107 0.528
34 3HD1 ILE 5 3HD1 ILE 5 -6.425 1.732 -1.097
35 H LYS 6 H LYS 6 -3.540 -3.079 -3.707
36 HA LYS 6 HA LYS 6 -1.412 -4.339 -2.195
37 2HB LYS 6 2HB LYS 6 -0.682 -5.061 -4.531
38 2HG LYS 6 2HG LYS 6 -3.302 -5.581 -3.161
39 2HD LYS 6 2HD LYS 6 -2.441 -7.205 -5.562
40 2HE LYS 6 2HE LYS 6 -3.943 -8.218 -3.785
41 1HZ LYS 6 1HZ LYS 6 -6.211 -7.463 -3.733
42 2HZ LYS 6 2HZ LYS 6 -5.270 -6.204 -3.262
43 3HZ LYS 6 3HZ LYS 6 -5.900 -6.234 -4.774
44 H CYS 7 H CYS 7 0.847 -4.069 -2.607
45 HA CYS 7 HA CYS 7 1.856 -1.495 -3.611
46 2HB CYS 7 2HB CYS 7 1.832 -2.203 -0.654
47 H ALA 8 H ALA 8 3.607 -2.298 -4.693
48 HA ALA 8 HA ALA 8 5.224 -4.511 -3.641
49 1HB ALA 8 1HB ALA 8 5.656 -2.630 -6.003
50 2HB ALA 8 2HB ALA 8 6.592 -4.093 -5.631
51 3HB ALA 8 3HB ALA 8 4.875 -4.224 -6.063
52 H THR 9 H THR 9 5.657 -0.949 -4.240
53 HA THR 9 HA THR 9 7.806 -0.897 -2.171
54 HB THR 9 HB THR 9 9.083 0.555 -3.723
55 HG1 THR 9 HG1 THR 9 6.820 0.155 -5.340
56 1HG2 THR 9 1HG2 THR 9 9.516 -1.907 -3.642
57 2HG2 THR 9 2HG2 THR 9 8.427 -2.114 -5.032
58 3HG2 THR 9 3HG2 THR 9 9.904 -1.153 -5.202
59 H ASP 10 H ASP 10 8.442 1.363 -1.680
60 HA ASP 10 HA ASP 10 6.570 3.144 -0.646
61 2HB ASP 10 2HB ASP 10 8.878 3.419 -0.159
62 H ALA 11 H ALA 11 8.150 3.405 -3.882
63 HA ALA 11 HA ALA 11 6.823 5.292 -5.150
64 1HB ALA 11 1HB ALA 11 8.444 3.757 -6.212
65 2HB ALA 11 2HB ALA 11 7.155 2.551 -6.415
66 3HB ALA 11 3HB ALA 11 7.044 4.110 -7.245
67 H ASP 12 H ASP 12 5.290 1.954 -5.047
68 HA ASP 12 HA ASP 12 2.917 2.560 -6.281
69 2HB ASP 12 2HB ASP 12 1.960 0.680 -5.114
70 H CYS 13 H CYS 13 3.492 2.620 -2.729
71 HA CYS 13 HA CYS 13 0.819 3.544 -2.320
72 2HB CYS 13 2HB CYS 13 2.829 3.812 -0.107
73 H SER 14 H SER 14 3.935 5.227 -2.293
74 HA SER 14 HA SER 14 3.027 7.793 -1.512
75 2HB SER 14 2HB SER 14 5.390 7.253 -1.655
76 HG SER 14 HG SER 14 5.378 5.958 -3.494
77 H ARG 15 H ARG 15 3.279 6.375 -4.809
78 HA ARG 15 HA ARG 15 2.127 8.531 -6.211
79 2HB ARG 15 2HB ARG 15 1.720 5.600 -6.927
80 2HG ARG 15 2HG ARG 15 2.119 6.271 -9.191
81 2HD ARG 15 2HD ARG 15 0.316 8.481 -8.186
82 HE ARG 15 HE ARG 15 0.766 7.388 -10.768
83 1HH1 ARG 15 1HH1 ARG 15 -1.809 8.443 -8.617
84 2HH1 ARG 15 2HH1 ARG 15 -2.941 8.855 -9.868
85 1HH2 ARG 15 1HH2 ARG 15 -0.703 7.926 -12.496
86 2HH2 ARG 15 2HH2 ARG 15 -2.279 8.555 -12.144
87 H LYS 16 H LYS 16 0.535 5.648 -4.727
88 HA LYS 16 HA LYS 16 -2.117 6.453 -5.448
89 2HB LYS 16 2HB LYS 16 -1.024 4.479 -3.425
90 2HG LYS 16 2HG LYS 16 -3.508 3.547 -3.912
91 2HD LYS 16 2HD LYS 16 -2.437 5.330 -1.733
92 2HE LYS 16 2HE LYS 16 -5.191 4.028 -1.714
93 1HZ LYS 16 1HZ LYS 16 -3.970 5.732 0.382
94 2HZ LYS 16 2HZ LYS 16 -5.338 4.818 0.492
95 3HZ LYS 16 3HZ LYS 16 -3.896 4.112 0.413
96 H CYS 17 H CYS 17 -0.085 7.378 -2.691
97 HA CYS 17 HA CYS 17 -2.135 9.241 -1.688
98 2HB CYS 17 2HB CYS 17 -1.210 6.733 -0.281
99 HA PRO 18 HA PRO 18 2.017 10.899 -1.438
100 2HB PRO 18 2HB PRO 18 1.121 12.800 -2.404
101 2HG PRO 18 2HG PRO 18 -1.027 13.657 -1.735
102 2HD PRO 18 2HD PRO 18 -1.317 11.400 -2.458
103 H GLY 19 H GLY 19 3.327 12.363 0.147
104 1HA GLY 19 1HA GLY 19 4.190 12.709 2.266
105 2HA GLY 19 2HA GLY 19 2.722 12.048 3.000
106 H ASN 20 H ASN 20 4.644 10.485 0.494
107 HA ASN 20 HA ASN 20 5.166 8.246 0.370
108 2HB ASN 20 2HB ASN 20 7.505 8.053 1.152
109 1HD2 ASN 20 1HD2 ASN 20 9.295 9.330 0.051
110 2HD2 ASN 20 2HD2 ASN 20 8.825 10.216 -1.389
111 HA PRO 21 HA PRO 21 3.850 6.229 4.313
112 2HB PRO 21 2HB PRO 21 1.573 6.498 3.950
113 2HG PRO 21 2HG PRO 21 0.717 6.931 1.719
114 2HD PRO 21 2HD PRO 21 2.303 8.577 2.270
115 HA PRO 22 HA PRO 22 6.050 2.909 2.124
116 2HB PRO 22 2HB PRO 22 7.191 2.760 4.170
117 2HG PRO 22 2HG PRO 22 6.012 2.712 6.272
118 2HD PRO 22 2HD PRO 22 5.471 4.761 5.232
119 H CYS 23 H CYS 23 5.845 0.358 2.055
120 HA CYS 23 HA CYS 23 3.000 -0.472 1.817
121 2HB CYS 23 2HB CYS 23 3.844 -2.561 1.002
122 H ARG 24 H ARG 24 2.103 -1.672 3.426
123 HA ARG 24 HA ARG 24 3.722 -3.058 5.484
124 2HB ARG 24 2HB ARG 24 0.782 -3.340 4.718
125 2HG ARG 24 2HG ARG 24 2.441 -4.365 7.076
126 2HD ARG 24 2HD ARG 24 -0.539 -4.621 6.495
127 HE ARG 24 HE ARG 24 1.120 -6.319 8.003
128 1HH1 ARG 24 1HH1 ARG 24 -1.802 -4.425 8.494
129 2HH1 ARG 24 2HH1 ARG 24 -2.457 -5.431 9.750
130 1HH2 ARG 24 1HH2 ARG 24 0.297 -7.700 9.668
131 2HH2 ARG 24 2HH2 ARG 24 -1.222 -7.352 10.425
132 H ASN 25 H ASN 25 5.132 -3.651 3.737
133 HA ASN 25 HA ASN 25 5.651 -4.722 1.674
134 2HB ASN 25 2HB ASN 25 5.608 -6.727 3.948
135 1HD2 ASN 25 1HD2 ASN 25 7.217 -8.465 3.739
136 2HD2 ASN 25 2HD2 ASN 25 7.731 -8.962 2.136
137 H GLY 26 H GLY 26 3.948 -4.824 0.132
138 1HA GLY 26 1HA GLY 26 2.927 -6.553 -1.253
139 2HA GLY 26 2HA GLY 26 2.253 -7.305 0.200
140 H PHE 27 H PHE 27 1.587 -4.805 1.573
141 HA PHE 27 HA PHE 27 -0.630 -3.811 -0.147
142 2HB PHE 27 2HB PHE 27 -2.113 -3.946 1.775
143 HD1 PHE 27 HD1 PHE 27 -2.777 -5.365 -0.287
144 HD2 PHE 27 HD2 PHE 27 -0.206 -6.872 2.819
145 HE1 PHE 27 HE1 PHE 27 -3.111 -7.684 -1.124
146 HE2 PHE 27 HE2 PHE 27 -0.567 -9.181 2.003
147 HZ PHE 27 HZ PHE 27 -2.022 -9.593 0.033
148 H CYS 28 H CYS 28 -1.365 -1.729 0.252
149 HA CYS 28 HA CYS 28 0.679 0.186 0.798
150 2HB CYS 28 2HB CYS 28 -2.008 1.275 1.131
151 H ALA 29 H ALA 29 1.267 1.305 2.754
152 HA ALA 29 HA ALA 29 -0.055 0.573 5.237
153 1HB ALA 29 1HB ALA 29 1.758 2.932 4.600
154 2HB ALA 29 2HB ALA 29 1.250 2.398 6.215
155 3HB ALA 29 3HB ALA 29 2.261 1.339 5.213
156 H CYS 30 H CYS 30 -0.039 3.591 3.269
157 HA CYS 30 HA CYS 30 -2.258 4.828 4.615
158 2HB CYS 30 2HB CYS 30 -1.095 5.273 1.850
159 H THR 31 H THR 31 -4.031 3.551 4.825
160 HA THR 31 HA THR 31 -4.799 1.674 2.863
161 HB THR 31 HB THR 31 -6.582 2.378 5.173
162 HG1 THR 31 HG1 THR 31 -3.845 1.661 5.469
163 1HG2 THR 31 1HG2 THR 31 -5.230 -0.219 4.305
164 2HG2 THR 31 2HG2 THR 31 -6.466 -0.038 5.565
165 3HG2 THR 31 3HG2 THR 31 -6.883 0.275 3.868
Start of MODEL 15
1 1H THR 1 1H THR 1 -8.496 -1.358 8.523
2 HA THR 1 HA THR 1 -10.812 -2.889 9.425
3 HB THR 1 HB THR 1 -11.679 -1.895 7.162
4 HG1 THR 1 HG1 THR 1 -10.449 -0.047 6.534
5 1HG2 THR 1 1HG2 THR 1 -10.852 0.018 9.395
6 2HG2 THR 1 2HG2 THR 1 -12.117 0.308 8.183
7 3HG2 THR 1 3HG2 THR 1 -12.320 -0.982 9.382
8 HA PRO 2 HA PRO 2 -9.572 -6.303 6.829
9 2HB PRO 2 2HB PRO 2 -11.336 -7.421 7.843
10 2HG PRO 2 2HG PRO 2 -13.515 -6.416 8.057
11 2HD PRO 2 2HD PRO 2 -11.951 -5.018 9.169
12 H PHE 3 H PHE 3 -8.802 -4.419 5.376
13 HA PHE 3 HA PHE 3 -9.677 -5.024 2.674
14 2HB PHE 3 2HB PHE 3 -9.839 -2.184 3.777
15 HD1 PHE 3 HD1 PHE 3 -11.191 -4.153 0.852
16 HD2 PHE 3 HD2 PHE 3 -9.027 -0.648 2.145
17 HE1 PHE 3 HE1 PHE 3 -10.995 -3.401 -1.501
18 HE2 PHE 3 HE2 PHE 3 -8.925 0.142 -0.199
19 HZ PHE 3 HZ PHE 3 -9.857 -1.255 -2.032
20 H ALA 4 H ALA 4 -8.075 -3.949 1.119
21 HA ALA 4 HA ALA 4 -5.510 -3.151 2.263
22 1HB ALA 4 1HB ALA 4 -5.804 -5.940 1.066
23 2HB ALA 4 2HB ALA 4 -4.283 -5.136 1.516
24 3HB ALA 4 3HB ALA 4 -5.459 -5.559 2.765
25 H ILE 5 H ILE 5 -5.139 -1.547 0.867
26 HA ILE 5 HA ILE 5 -5.417 -1.770 -2.050
27 HB ILE 5 HB ILE 5 -4.073 0.257 -0.213
28 2HG1 ILE 5 2HG1 ILE 5 -6.532 0.142 0.032
29 1HG2 ILE 5 1HG2 ILE 5 -4.649 0.471 -3.205
30 2HG2 ILE 5 2HG2 ILE 5 -3.918 1.725 -2.177
31 3HG2 ILE 5 3HG2 ILE 5 -3.040 0.245 -2.489
32 1HD1 ILE 5 1HD1 ILE 5 -5.375 2.341 0.233
33 2HD1 ILE 5 2HD1 ILE 5 -5.798 2.675 -1.466
34 3HD1 ILE 5 3HD1 ILE 5 -7.074 2.433 -0.267
35 H LYS 6 H LYS 6 -3.588 -2.239 -3.428
36 HA LYS 6 HA LYS 6 -1.606 -3.955 -2.132
37 2HB LYS 6 2HB LYS 6 -0.940 -3.915 -4.788
38 2HG LYS 6 2HG LYS 6 -1.564 -5.898 -3.221
39 2HD LYS 6 2HD LYS 6 -3.555 -7.086 -3.857
40 2HE LYS 6 2HE LYS 6 -4.635 -4.290 -3.350
41 1HZ LYS 6 1HZ LYS 6 -6.089 -5.371 -1.916
42 2HZ LYS 6 2HZ LYS 6 -6.264 -6.010 -3.431
43 3HZ LYS 6 3HZ LYS 6 -5.486 -6.870 -2.250
44 H CYS 7 H CYS 7 0.702 -3.811 -2.580
45 HA CYS 7 HA CYS 7 1.874 -1.345 -3.610
46 2HB CYS 7 2HB CYS 7 2.090 -2.035 -0.647
47 H ALA 8 H ALA 8 3.714 -2.094 -4.674
48 HA ALA 8 HA ALA 8 5.052 -4.574 -3.637
49 1HB ALA 8 1HB ALA 8 6.100 -4.640 -5.846
50 2HB ALA 8 2HB ALA 8 4.330 -4.654 -5.990
51 3HB ALA 8 3HB ALA 8 5.239 -3.165 -6.333
52 H THR 9 H THR 9 5.408 -1.187 -4.578
53 HA THR 9 HA THR 9 8.091 -0.965 -3.285
54 HB THR 9 HB THR 9 8.498 0.756 -5.057
55 HG1 THR 9 HG1 THR 9 5.948 -0.154 -5.985
56 1HG2 THR 9 1HG2 THR 9 9.314 -1.575 -5.364
57 2HG2 THR 9 2HG2 THR 9 7.813 -1.978 -6.229
58 3HG2 THR 9 3HG2 THR 9 8.929 -0.776 -6.902
59 H ASP 10 H ASP 10 8.392 0.986 -2.129
60 HA ASP 10 HA ASP 10 6.428 2.345 -0.723
61 2HB ASP 10 2HB ASP 10 8.705 2.702 -0.182
62 H ALA 11 H ALA 11 7.931 3.562 -3.735
63 HA ALA 11 HA ALA 11 6.450 5.459 -4.712
64 1HB ALA 11 1HB ALA 11 6.771 4.591 -6.974
65 2HB ALA 11 2HB ALA 11 8.204 4.304 -5.963
66 3HB ALA 11 3HB ALA 11 7.089 2.971 -6.326
67 H ASP 12 H ASP 12 5.052 2.083 -4.805
68 HA ASP 12 HA ASP 12 2.752 2.774 -6.354
69 2HB ASP 12 2HB ASP 12 1.720 0.757 -5.304
70 H CYS 13 H CYS 13 3.252 2.503 -2.852
71 HA CYS 13 HA CYS 13 0.562 3.319 -2.158
72 2HB CYS 13 2HB CYS 13 3.099 3.167 -0.475
73 H SER 14 H SER 14 3.733 4.862 -2.180
74 HA SER 14 HA SER 14 2.934 7.526 -1.437
75 2HB SER 14 2HB SER 14 5.425 6.508 -2.865
76 HG SER 14 HG SER 14 5.164 8.745 -2.828
77 H ARG 15 H ARG 15 1.166 6.930 -3.356
78 HA ARG 15 HA ARG 15 1.474 8.736 -5.570
79 2HB ARG 15 2HB ARG 15 1.820 5.757 -6.087
80 2HG ARG 15 2HG ARG 15 1.779 7.910 -8.210
81 2HD ARG 15 2HD ARG 15 1.570 4.856 -8.307
82 HE ARG 15 HE ARG 15 1.063 5.393 -10.462
83 1HH1 ARG 15 1HH1 ARG 15 3.748 7.397 -9.408
84 2HH1 ARG 15 2HH1 ARG 15 4.234 7.913 -10.996
85 1HH2 ARG 15 1HH2 ARG 15 1.637 6.059 -12.607
86 2HH2 ARG 15 2HH2 ARG 15 2.964 7.146 -12.865
87 H LYS 16 H LYS 16 0.048 5.529 -4.637
88 HA LYS 16 HA LYS 16 -2.611 6.230 -5.392
89 2HB LYS 16 2HB LYS 16 -2.161 4.433 -3.018
90 2HG LYS 16 2HG LYS 16 -3.621 2.926 -4.259
91 2HD LYS 16 2HD LYS 16 -4.797 5.717 -4.603
92 2HE LYS 16 2HE LYS 16 -6.124 3.055 -3.950
93 1HZ LYS 16 1HZ LYS 16 -7.268 5.710 -4.538
94 2HZ LYS 16 2HZ LYS 16 -8.125 4.327 -4.306
95 3HZ LYS 16 3HZ LYS 16 -7.269 4.981 -3.063
96 H CYS 17 H CYS 17 -0.674 6.829 -2.448
97 HA CYS 17 HA CYS 17 -2.652 8.820 -1.519
98 2HB CYS 17 2HB CYS 17 -1.684 6.343 -0.135
99 HA PRO 18 HA PRO 18 1.152 11.078 -1.333
100 2HB PRO 18 2HB PRO 18 -0.285 12.910 -1.572
101 2HG PRO 18 2HG PRO 18 -2.250 13.157 -0.184
102 2HD PRO 18 2HD PRO 18 -2.435 11.142 -1.422
103 H GLY 19 H GLY 19 2.600 12.300 0.309
104 1HA GLY 19 1HA GLY 19 3.637 12.570 2.329
105 2HA GLY 19 2HA GLY 19 2.336 11.679 3.123
106 H ASN 20 H ASN 20 3.757 9.972 0.519
107 HA ASN 20 HA ASN 20 4.696 7.952 0.481
108 2HB ASN 20 2HB ASN 20 6.941 9.419 1.899
109 1HD2 ASN 20 1HD2 ASN 20 9.048 8.909 0.478
110 2HD2 ASN 20 2HD2 ASN 20 9.272 7.199 0.142
111 HA PRO 21 HA PRO 21 4.165 5.987 4.578
112 2HB PRO 21 2HB PRO 21 1.906 6.219 4.886
113 2HG PRO 21 2HG PRO 21 0.501 6.915 3.115
114 2HD PRO 21 2HD PRO 21 2.210 8.463 2.941
115 HA PRO 22 HA PRO 22 5.970 2.987 1.773
116 2HB PRO 22 2HB PRO 22 7.534 2.884 3.523
117 2HG PRO 22 2HG PRO 22 6.838 2.547 5.817
118 2HD PRO 22 2HD PRO 22 5.931 4.588 5.031
119 H CYS 23 H CYS 23 6.082 0.381 1.613
120 HA CYS 23 HA CYS 23 3.345 -0.648 1.530
121 2HB CYS 23 2HB CYS 23 4.273 -2.713 0.792
122 H ARG 24 H ARG 24 2.398 -1.497 3.260
123 HA ARG 24 HA ARG 24 3.777 -3.015 5.384
124 2HB ARG 24 2HB ARG 24 0.876 -2.946 4.438
125 2HG ARG 24 2HG ARG 24 2.040 -3.987 7.057
126 2HD ARG 24 2HD ARG 24 -0.739 -4.177 5.796
127 HE ARG 24 HE ARG 24 -0.867 -5.913 7.253
128 1HH1 ARG 24 1HH1 ARG 24 0.754 -3.244 8.872
129 2HH1 ARG 24 2HH1 ARG 24 0.616 -3.895 10.475
130 1HH2 ARG 24 1HH2 ARG 24 -1.054 -6.848 9.363
131 2HH2 ARG 24 2HH2 ARG 24 -0.420 -6.022 10.747
132 H ASN 25 H ASN 25 5.168 -3.851 3.664
133 HA ASN 25 HA ASN 25 5.613 -5.081 1.704
134 2HB ASN 25 2HB ASN 25 5.191 -7.014 4.004
135 1HD2 ASN 25 1HD2 ASN 25 6.685 -8.899 3.915
136 2HD2 ASN 25 2HD2 ASN 25 7.187 -9.493 2.341
137 H GLY 26 H GLY 26 3.920 -4.917 0.150
138 1HA GLY 26 1HA GLY 26 2.732 -6.463 -1.309
139 2HA GLY 26 2HA GLY 26 1.969 -7.199 0.102
140 H PHE 27 H PHE 27 1.629 -4.576 1.496
141 HA PHE 27 HA PHE 27 -0.647 -3.536 -0.104
142 2HB PHE 27 2HB PHE 27 -2.028 -3.696 1.861
143 HD1 PHE 27 HD1 PHE 27 -2.425 -5.364 -0.172
144 HD2 PHE 27 HD2 PHE 27 0.007 -6.355 3.227
145 HE1 PHE 27 HE1 PHE 27 -2.537 -7.775 -0.790
146 HE2 PHE 27 HE2 PHE 27 -0.102 -8.746 2.616
147 HZ PHE 27 HZ PHE 27 -1.389 -9.466 0.616
148 H CYS 28 H CYS 28 -1.276 -1.376 0.262
149 HA CYS 28 HA CYS 28 0.985 0.367 0.845
150 2HB CYS 28 2HB CYS 28 -1.874 0.789 -0.052
151 H ALA 29 H ALA 29 1.549 1.098 2.878
152 HA ALA 29 HA ALA 29 -0.336 0.676 5.073
153 1HB ALA 29 1HB ALA 29 2.437 1.921 5.131
154 2HB ALA 29 2HB ALA 29 1.529 1.231 6.489
155 3HB ALA 29 3HB ALA 29 2.126 0.177 5.197
156 H CYS 30 H CYS 30 -1.383 2.633 3.280
157 HA CYS 30 HA CYS 30 -0.894 5.281 4.572
158 2HB CYS 30 2HB CYS 30 -2.609 4.481 2.201
159 H THR 31 H THR 31 -3.636 3.031 3.919
160 HA THR 31 HA THR 31 -4.819 3.633 6.526
161 HB THR 31 HB THR 31 -7.070 3.972 5.451
162 HG1 THR 31 HG1 THR 31 -6.974 4.707 3.239
163 1HG2 THR 31 1HG2 THR 31 -6.838 6.331 4.987
164 2HG2 THR 31 2HG2 THR 31 -5.731 5.917 6.308
165 3HG2 THR 31 3HG2 THR 31 -5.106 6.164 4.665