Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22688 | 2jqb RC | 15272 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ASP 1 HA ASP 1 -0.556 -0.647 -1.553
2 H1 ASP 1 H1 ASP 1 -2.424 0.200 -0.335
3 H2 ASP 1 H2 ASP 1 -2.827 -1.204 -1.091
4 H3 ASP 1 H3 ASP 1 -3.347 0.243 -1.680
5 HB2 ASP 1 HB2 ASP 1 -0.582 -0.916 -3.908
6 HB3 ASP 1 HB3 ASP 1 -2.027 -1.743 -3.334
7 H TRP 2 H TRP 2 0.679 0.852 -3.311
8 HA TRP 2 HA TRP 2 -0.157 3.659 -3.152
9 HD1 TRP 2 HD1 TRP 2 2.195 0.834 -0.744
10 HE1 TRP 2 HE1 TRP 2 4.577 -0.052 -0.992
11 HE3 TRP 2 HE3 TRP 2 4.133 4.632 -3.525
12 HZ2 TRP 2 HZ2 TRP 2 7.061 0.797 -2.298
13 HZ3 TRP 2 HZ3 TRP 2 6.507 4.571 -4.288
14 HH2 TRP 2 HH2 TRP 2 7.968 2.640 -3.659
15 HB2 TRP 2 HB2 TRP 2 1.975 4.383 -2.217
16 HB3 TRP 2 HB3 TRP 2 1.139 3.331 -1.099
17 H GLU 3 H GLU 3 -0.192 1.833 -5.275
18 HA GLU 3 HA GLU 3 2.158 2.257 -6.955
19 HB2 GLU 3 HB2 GLU 3 0.748 0.212 -7.030
20 HB3 GLU 3 HB3 GLU 3 -0.556 1.193 -7.709
21 HG2 GLU 3 HG2 GLU 3 0.869 1.781 -9.647
22 HG3 GLU 3 HG3 GLU 3 2.205 0.859 -8.954
23 H TYR 4 H TYR 4 2.536 4.097 -8.076
24 HA TYR 4 HA TYR 4 0.282 5.943 -8.705
25 HD1 TYR 4 HD1 TYR 4 0.054 7.387 -6.739
26 HD2 TYR 4 HD2 TYR 4 2.797 9.149 -9.560
27 HE1 TYR 4 HE1 TYR 4 -1.118 9.555 -6.517
28 HE2 TYR 4 HE2 TYR 4 1.629 11.319 -9.358
29 HH TYR 4 HH TYR 4 -1.215 11.781 -7.198
30 HB2 TYR 4 HB2 TYR 4 2.614 6.496 -7.359
31 HB3 TYR 4 HB3 TYR 4 3.016 6.890 -9.035
32 H HIS 5 H HIS 5 1.001 7.342 -10.649
33 HA HIS 5 HA HIS 5 1.528 5.521 -12.960
34 HD1 HIS 5 HD1 HIS 5 0.351 7.285 -16.143
35 HD2 HIS 5 HD2 HIS 5 -1.512 4.720 -13.346
36 HE1 HIS 5 HE1 HIS 5 -0.832 5.458 -17.499
37 HE2 HIS 5 HE2 HIS 5 -1.966 3.903 -15.796
38 HB2 HIS 5 HB2 HIS 5 -0.655 7.234 -12.498
39 HB3 HIS 5 HB3 HIS 5 0.336 8.135 -13.619
40 H ALA 6 H ALA 6 1.790 8.991 -12.095
41 HA ALA 6 HA ALA 6 4.303 9.277 -13.609
42 HB1 ALA 6 HB3 ALA 6 2.612 11.325 -12.090
43 HB2 ALA 6 HB1 ALA 6 3.989 11.683 -13.150
44 HB3 ALA 6 HB2 ALA 6 2.510 10.983 -13.838
45 H HIS 7 H HIS 7 4.917 7.558 -11.848
46 HA HIS 7 HA HIS 7 5.653 8.221 -9.288
47 HD1 HIS 7 HD1 HIS 7 8.001 7.288 -12.696
48 HD2 HIS 7 HD2 HIS 7 5.276 4.255 -11.574
49 HE1 HIS 7 HE1 HIS 7 7.529 5.911 -14.800
50 HE2 HIS 7 HE2 HIS 7 5.914 4.037 -14.106
51 HB2 HIS 7 HB2 HIS 7 7.491 6.431 -9.767
52 HB3 HIS 7 HB3 HIS 7 5.814 5.996 -9.683
53 HA PRO 8 HA PRO 8 9.030 10.992 -9.507
54 HB2 PRO 8 HB2 PRO 8 10.647 10.179 -7.429
55 HB3 PRO 8 HB3 PRO 8 9.061 10.983 -7.212
56 HG2 PRO 8 HG2 PRO 8 9.764 8.034 -7.115
57 HG3 PRO 8 HG3 PRO 8 8.735 8.966 -5.977
58 HD2 PRO 8 HD2 PRO 8 7.688 7.460 -7.985
59 HD3 PRO 8 HD3 PRO 8 6.941 9.002 -7.507
60 H LYS 9 H LYS 9 11.152 11.363 -10.075
61 HA LYS 9 HA LYS 9 12.406 9.291 -11.727
62 HB2 LYS 9 HB2 LYS 9 12.550 12.309 -11.388
63 HB3 LYS 9 HB3 LYS 9 13.680 11.443 -12.400
64 HG2 LYS 9 HG2 LYS 9 11.744 10.542 -13.754
65 HG3 LYS 9 HG3 LYS 9 10.653 11.505 -12.748
66 HD2 LYS 9 HD2 LYS 9 10.994 12.780 -14.717
67 HD3 LYS 9 HD3 LYS 9 11.951 13.571 -13.455
68 HE2 LYS 9 HE2 LYS 9 13.969 12.245 -14.330
69 HE3 LYS 9 HE3 LYS 9 12.946 11.717 -15.675
70 HZ1 LYS 9 HZ3 LYS 9 14.229 13.631 -16.295
71 HZ2 LYS 9 HZ1 LYS 9 13.706 14.491 -15.005
72 HZ3 LYS 9 HZ2 LYS 9 12.662 14.098 -16.219
73 HA HYP 10 HA HYP 10 15.920 9.075 -8.934
74 HG HYP 10 HG HYP 10 17.133 9.213 -12.581
75 HB2 HYP 10 HB2 HYP 10 17.958 8.295 -10.520
76 HB3 HYP 10 HB3 HYP 10 16.494 7.302 -10.314
77 HD22 HYP 10 HD3 HYP 10 14.333 8.178 -12.207
78 HD23 HYP 10 HD2 HYP 10 14.918 9.756 -12.812
79 HD1 HYP 10 HOD HYP 10 16.408 7.455 -13.794
80 H ASN 11 H ASN 11 18.423 10.090 -10.959
81 HA ASN 11 HA ASN 11 18.841 12.418 -9.318
82 HB2 ASN 11 HB2 ASN 11 21.026 12.417 -10.158
83 HB3 ASN 11 HB3 ASN 11 20.592 10.743 -9.865
84 HD21 ASN 11 1HD2 ASN 11 22.369 12.524 -11.932
85 HD22 ASN 11 2HD2 ASN 11 22.133 11.625 -13.427
86 H SER 12 H SER 12 16.629 12.970 -10.778
87 HA SER 12 HA SER 12 17.056 14.233 -13.269
88 HG SER 12 HG SER 12 14.778 16.032 -13.258
89 HB2 SER 12 HB2 SER 12 14.887 13.364 -12.267
90 HB3 SER 12 HB3 SER 12 14.829 14.829 -11.282
91 H DPN 13 H DPN 13 17.604 15.354 -10.072
92 HA DPN 13 HA DPN 13 18.542 17.177 -9.151
93 HD1 DPN 13 HD1 DPN 13 17.238 19.178 -7.552
94 HD2 DPN 13 HD2 DPN 13 14.723 17.299 -10.511
95 HE1 DPN 13 HE1 DPN 13 15.470 18.850 -5.843
96 HE2 DPN 13 HE2 DPN 13 12.958 16.967 -8.798
97 HZ DPN 13 HZ DPN 13 13.328 17.743 -6.462
98 HB2 DPN 13 HB2 DPN 13 16.748 18.537 -11.179
99 HB3 DPN 13 HB3 DPN 13 17.717 19.377 -10.004
100 H TRP 14 H TRP 14 19.642 16.080 -11.862
101 HA TRP 14 HA TRP 14 21.921 17.936 -12.030
102 HD1 TRP 14 HD1 TRP 14 20.801 14.983 -10.033
103 HE1 TRP 14 HE1 TRP 14 22.370 14.435 -8.098
104 HE3 TRP 14 HE3 TRP 14 25.221 16.022 -12.324
105 HZ2 TRP 14 HZ2 TRP 14 25.241 14.435 -7.603
106 HZ3 TRP 14 HZ3 TRP 14 27.382 15.757 -11.105
107 HH2 TRP 14 HH2 TRP 14 27.395 14.962 -8.747
108 HB2 TRP 14 HB2 TRP 14 21.458 15.044 -12.881
109 HB3 TRP 14 HB3 TRP 14 22.947 15.944 -13.146
110 H THR 15 H THR 15 19.045 17.658 -13.664
111 HA THR 15 HA THR 15 19.937 17.716 -16.406
112 HB THR 15 HB THR 15 17.637 18.733 -16.800
113 HG1 THR 15 HG1 THR 15 17.127 17.891 -14.133
114 HG21 THR 15 3HG2 THR 15 16.487 16.571 -16.433
115 HG22 THR 15 1HG2 THR 15 17.847 16.015 -15.428
116 HG23 THR 15 2HG2 THR 15 18.091 16.365 -17.150
Start of MODEL 2
1 HA ASP 1 HA ASP 1 1.646 0.618 -0.213
2 H1 ASP 1 H1 ASP 1 0.970 -1.624 -0.438
3 H2 ASP 1 H2 ASP 1 2.530 -1.613 0.103
4 H3 ASP 1 H3 ASP 1 2.191 -1.973 -1.468
5 HB2 ASP 1 HB2 ASP 1 3.985 -0.218 -1.971
6 HB3 ASP 1 HB3 ASP 1 3.528 1.461 -1.658
7 H TRP 2 H TRP 2 0.762 2.187 -1.633
8 HA TRP 2 HA TRP 2 -0.706 1.101 -3.926
9 HD1 TRP 2 HD1 TRP 2 -3.738 1.845 -3.420
10 HE1 TRP 2 HE1 TRP 2 -5.160 2.737 -5.340
11 HE3 TRP 2 HE3 TRP 2 -0.431 5.239 -5.327
12 HZ2 TRP 2 HZ2 TRP 2 -4.909 4.745 -7.446
13 HZ3 TRP 2 HZ3 TRP 2 -1.067 6.658 -7.277
14 HH2 TRP 2 HH2 TRP 2 -3.310 6.398 -8.332
15 HB2 TRP 2 HB2 TRP 2 -1.610 2.739 -2.184
16 HB3 TRP 2 HB3 TRP 2 -0.623 3.969 -2.958
17 H GLU 3 H GLU 3 0.366 0.857 -5.779
18 HA GLU 3 HA GLU 3 2.886 2.119 -6.338
19 HB2 GLU 3 HB2 GLU 3 2.317 -0.168 -7.018
20 HB3 GLU 3 HB3 GLU 3 1.084 0.476 -8.108
21 HG2 GLU 3 HG2 GLU 3 2.823 1.636 -9.423
22 HG3 GLU 3 HG3 GLU 3 4.062 1.105 -8.282
23 H TYR 4 H TYR 4 3.247 4.057 -7.328
24 HA TYR 4 HA TYR 4 0.982 5.692 -8.125
25 HD1 TYR 4 HD2 TYR 4 1.138 7.107 -5.921
26 HD2 TYR 4 HD1 TYR 4 3.156 8.914 -9.273
27 HE1 TYR 4 HE2 TYR 4 -0.063 9.234 -5.493
28 HE2 TYR 4 HE1 TYR 4 1.963 11.039 -8.864
29 HH TYR 4 HH TYR 4 0.417 12.163 -7.533
30 HB2 TYR 4 HB2 TYR 4 3.438 6.245 -7.005
31 HB3 TYR 4 HB3 TYR 4 3.648 6.698 -8.701
32 H HIS 5 H HIS 5 1.450 7.130 -10.080
33 HA HIS 5 HA HIS 5 1.778 5.384 -12.485
34 HD1 HIS 5 HD1 HIS 5 0.229 7.211 -15.475
35 HD2 HIS 5 HD2 HIS 5 -1.255 4.491 -12.598
36 HE1 HIS 5 HE1 HIS 5 -1.026 5.388 -16.770
37 HE2 HIS 5 HE2 HIS 5 -1.928 3.738 -15.019
38 HB2 HIS 5 HB2 HIS 5 -0.396 7.004 -11.750
39 HB3 HIS 5 HB3 HIS 5 0.440 7.978 -12.934
40 H ALA 6 H ALA 6 2.016 8.847 -11.600
41 HA ALA 6 HA ALA 6 4.354 9.215 -13.364
42 HB1 ALA 6 HB3 ALA 6 2.725 11.220 -11.723
43 HB2 ALA 6 HB1 ALA 6 3.978 11.615 -12.916
44 HB3 ALA 6 HB2 ALA 6 2.472 10.839 -13.447
45 H HIS 7 H HIS 7 5.212 7.562 -11.641
46 HA HIS 7 HA HIS 7 6.160 8.347 -9.182
47 HD1 HIS 7 HD1 HIS 7 8.169 7.270 -12.784
48 HD2 HIS 7 HD2 HIS 7 5.601 4.308 -11.199
49 HE1 HIS 7 HE1 HIS 7 7.447 5.797 -14.749
50 HE2 HIS 7 HE2 HIS 7 5.933 3.963 -13.775
51 HB2 HIS 7 HB2 HIS 7 8.014 6.596 -9.787
52 HB3 HIS 7 HB3 HIS 7 6.374 6.123 -9.471
53 HA PRO 8 HA PRO 8 9.344 11.248 -9.843
54 HB2 PRO 8 HB2 PRO 8 11.139 10.681 -7.840
55 HB3 PRO 8 HB3 PRO 8 9.505 11.353 -7.543
56 HG2 PRO 8 HG2 PRO 8 10.464 8.479 -7.389
57 HG3 PRO 8 HG3 PRO 8 9.460 9.378 -6.202
58 HD2 PRO 8 HD2 PRO 8 8.374 7.716 -8.061
59 HD3 PRO 8 HD3 PRO 8 7.550 9.219 -7.577
60 H LYS 9 H LYS 9 11.494 11.699 -10.472
61 HA LYS 9 HA LYS 9 12.790 9.579 -12.051
62 HB2 LYS 9 HB2 LYS 9 12.682 12.593 -11.994
63 HB3 LYS 9 HB3 LYS 9 14.126 11.850 -12.627
64 HG2 LYS 9 HG2 LYS 9 12.623 12.364 -14.441
65 HG3 LYS 9 HG3 LYS 9 12.829 10.614 -14.310
66 HD2 LYS 9 HD2 LYS 9 10.608 10.383 -13.280
67 HD3 LYS 9 HD3 LYS 9 10.454 12.138 -13.153
68 HE2 LYS 9 HE2 LYS 9 9.117 11.386 -15.008
69 HE3 LYS 9 HE3 LYS 9 10.470 12.338 -15.623
70 HZ1 LYS 9 HZ3 LYS 9 10.334 9.378 -15.616
71 HZ2 LYS 9 HZ1 LYS 9 11.571 10.270 -16.226
72 HZ3 LYS 9 HZ2 LYS 9 10.095 10.337 -16.916
73 HA HYP 10 HA HYP 10 16.079 9.193 -9.164
74 HG HYP 10 HG HYP 10 17.507 9.286 -12.781
75 HB2 HYP 10 HB2 HYP 10 18.204 8.402 -10.666
76 HB3 HYP 10 HB3 HYP 10 16.713 7.445 -10.512
77 HD22 HYP 10 HD3 HYP 10 14.635 8.490 -12.513
78 HD23 HYP 10 HD2 HYP 10 15.369 10.022 -13.073
79 HD1 HYP 10 HOD HYP 10 17.707 7.072 -13.128
80 H ASN 11 H ASN 11 18.437 10.340 -11.493
81 HA ASN 11 HA ASN 11 19.352 12.368 -9.644
82 HB2 ASN 11 HB2 ASN 11 21.274 12.502 -10.984
83 HB3 ASN 11 HB3 ASN 11 20.864 10.802 -10.845
84 HD21 ASN 11 1HD2 ASN 11 22.297 12.688 -12.967
85 HD22 ASN 11 2HD2 ASN 11 21.624 12.108 -14.488
86 H SER 12 H SER 12 16.897 13.138 -10.377
87 HA SER 12 HA SER 12 16.625 14.710 -12.695
88 HG SER 12 HG SER 12 14.180 15.298 -12.703
89 HB2 SER 12 HB2 SER 12 14.821 13.760 -11.157
90 HB3 SER 12 HB3 SER 12 15.185 15.070 -10.030
91 H DPN 13 H DPN 13 17.967 15.458 -9.613
92 HA DPN 13 HA DPN 13 19.133 17.144 -8.692
93 HD1 DPN 13 HD1 DPN 13 18.118 18.855 -6.686
94 HD2 DPN 13 HD2 DPN 13 15.136 17.605 -9.544
95 HE1 DPN 13 HE1 DPN 13 16.555 18.331 -4.831
96 HE2 DPN 13 HE2 DPN 13 13.581 17.075 -7.686
97 HZ DPN 13 HZ DPN 13 14.284 17.441 -5.326
98 HB2 DPN 13 HB2 DPN 13 17.144 18.783 -10.283
99 HB3 DPN 13 HB3 DPN 13 18.289 19.436 -9.146
100 H TRP 14 H TRP 14 19.687 16.353 -11.709
101 HA TRP 14 HA TRP 14 22.016 18.143 -11.995
102 HD1 TRP 14 HD1 TRP 14 21.034 14.886 -10.150
103 HE1 TRP 14 HE1 TRP 14 22.765 14.262 -8.381
104 HE3 TRP 14 HE3 TRP 14 25.209 16.483 -12.580
105 HZ2 TRP 14 HZ2 TRP 14 25.657 14.429 -8.064
106 HZ3 TRP 14 HZ3 TRP 14 27.459 16.257 -11.529
107 HH2 TRP 14 HH2 TRP 14 27.687 15.228 -9.274
108 HB2 TRP 14 HB2 TRP 14 21.401 15.311 -12.944
109 HB3 TRP 14 HB3 TRP 14 22.873 16.203 -13.307
110 H THR 15 H THR 15 18.971 17.852 -13.342
111 HA THR 15 HA THR 15 19.866 19.001 -15.933
112 HB THR 15 HB THR 15 17.862 17.726 -16.937
113 HG1 THR 15 HG1 THR 15 17.281 15.839 -15.926
114 HG21 THR 15 3HG2 THR 15 19.243 15.775 -17.449
115 HG22 THR 15 1HG2 THR 15 20.313 16.124 -16.074
116 HG23 THR 15 2HG2 THR 15 20.236 17.237 -17.456
Start of MODEL 3
1 HA ASP 1 HA ASP 1 0.652 -0.530 -0.654
2 H1 ASP 1 H1 ASP 1 2.335 -2.386 -2.173
3 H2 ASP 1 H2 ASP 1 0.855 -2.694 -1.551
4 H3 ASP 1 H3 ASP 1 2.134 -2.440 -0.538
5 HB2 ASP 1 HB2 ASP 1 3.493 -0.157 -1.680
6 HB3 ASP 1 HB3 ASP 1 2.435 1.170 -1.186
7 H TRP 2 H TRP 2 -0.058 1.323 -1.947
8 HA TRP 2 HA TRP 2 -0.791 0.591 -4.672
9 HD1 TRP 2 HD1 TRP 2 -3.892 1.131 -4.967
10 HE1 TRP 2 HE1 TRP 2 -4.825 2.386 -6.984
11 HE3 TRP 2 HE3 TRP 2 -0.532 4.960 -5.112
12 HZ2 TRP 2 HZ2 TRP 2 -4.208 4.833 -8.467
13 HZ3 TRP 2 HZ3 TRP 2 -0.754 6.778 -6.810
14 HH2 TRP 2 HH2 TRP 2 -2.595 6.696 -8.491
15 HB2 TRP 2 HB2 TRP 2 -2.257 1.808 -3.017
16 HB3 TRP 2 HB3 TRP 2 -1.225 3.215 -3.228
17 H GLU 3 H GLU 3 0.722 0.674 -6.194
18 HA GLU 3 HA GLU 3 3.057 2.385 -6.014
19 HB2 GLU 3 HB2 GLU 3 2.534 -0.046 -7.193
20 HB3 GLU 3 HB3 GLU 3 2.497 1.024 -8.591
21 HG2 GLU 3 HG2 GLU 3 4.761 0.833 -6.546
22 HG3 GLU 3 HG3 GLU 3 4.724 -0.019 -8.083
23 H TYR 4 H TYR 4 3.557 4.133 -7.458
24 HA TYR 4 HA TYR 4 1.209 5.761 -8.021
25 HD1 TYR 4 HD2 TYR 4 1.630 7.109 -5.802
26 HD2 TYR 4 HD1 TYR 4 3.202 9.017 -9.334
27 HE1 TYR 4 HE2 TYR 4 0.487 9.212 -5.167
28 HE2 TYR 4 HE1 TYR 4 2.057 11.122 -8.719
29 HH TYR 4 HH TYR 4 0.059 11.429 -5.740
30 HB2 TYR 4 HB2 TYR 4 3.783 6.302 -7.178
31 HB3 TYR 4 HB3 TYR 4 3.786 6.784 -8.874
32 H HIS 5 H HIS 5 1.457 7.179 -10.015
33 HA HIS 5 HA HIS 5 1.542 5.431 -12.435
34 HD1 HIS 5 HD1 HIS 5 -0.038 7.407 -15.312
35 HD2 HIS 5 HD2 HIS 5 -1.558 4.768 -12.380
36 HE1 HIS 5 HE1 HIS 5 -1.501 5.702 -16.549
37 HE2 HIS 5 HE2 HIS 5 -2.425 4.101 -14.764
38 HB2 HIS 5 HB2 HIS 5 -0.460 7.187 -11.555
39 HB3 HIS 5 HB3 HIS 5 0.361 8.125 -12.778
40 H ALA 6 H ALA 6 2.072 8.868 -11.592
41 HA ALA 6 HA ALA 6 4.375 9.020 -13.457
42 HB1 ALA 6 HB3 ALA 6 4.085 11.459 -13.203
43 HB2 ALA 6 HB1 ALA 6 2.549 10.696 -13.671
44 HB3 ALA 6 HB2 ALA 6 2.823 11.204 -11.982
45 H HIS 7 H HIS 7 5.220 7.496 -11.614
46 HA HIS 7 HA HIS 7 6.213 8.508 -9.249
47 HD1 HIS 7 HD1 HIS 7 8.067 6.781 -12.761
48 HD2 HIS 7 HD2 HIS 7 5.307 4.381 -10.643
49 HE1 HIS 7 HE1 HIS 7 7.059 5.148 -14.458
50 HE2 HIS 7 HE2 HIS 7 5.432 3.646 -13.150
51 HB2 HIS 7 HB2 HIS 7 8.023 6.634 -9.729
52 HB3 HIS 7 HB3 HIS 7 6.389 6.288 -9.237
53 HA PRO 8 HA PRO 8 9.346 11.311 -10.238
54 HB2 PRO 8 HB2 PRO 8 11.193 10.979 -8.232
55 HB3 PRO 8 HB3 PRO 8 9.538 11.614 -7.957
56 HG2 PRO 8 HG2 PRO 8 10.599 8.796 -7.591
57 HG3 PRO 8 HG3 PRO 8 9.600 9.763 -6.453
58 HD2 PRO 8 HD2 PRO 8 8.513 7.928 -8.128
59 HD3 PRO 8 HD3 PRO 8 7.660 9.449 -7.762
60 H LYS 9 H LYS 9 11.480 11.793 -10.854
61 HA LYS 9 HA LYS 9 12.874 9.717 -12.389
62 HB2 LYS 9 HB2 LYS 9 12.832 12.720 -12.125
63 HB3 LYS 9 HB3 LYS 9 14.298 11.988 -12.723
64 HG2 LYS 9 HG2 LYS 9 12.949 12.728 -14.554
65 HG3 LYS 9 HG3 LYS 9 13.112 10.981 -14.618
66 HD2 LYS 9 HD2 LYS 9 10.651 12.227 -13.340
67 HD3 LYS 9 HD3 LYS 9 10.812 12.181 -15.099
68 HE2 LYS 9 HE2 LYS 9 11.103 9.747 -15.076
69 HE3 LYS 9 HE3 LYS 9 10.965 9.714 -13.312
70 HZ1 LYS 9 HZ3 LYS 9 8.717 10.383 -13.459
71 HZ2 LYS 9 HZ1 LYS 9 8.901 9.175 -14.534
72 HZ3 LYS 9 HZ2 LYS 9 8.814 10.715 -15.074
73 HA HYP 10 HA HYP 10 15.989 9.121 -9.324
74 HG HYP 10 HG HYP 10 17.619 9.390 -12.827
75 HB2 HYP 10 HB2 HYP 10 18.186 8.378 -10.742
76 HB3 HYP 10 HB3 HYP 10 16.681 7.431 -10.719
77 HD22 HYP 10 HD3 HYP 10 14.728 8.612 -12.796
78 HD23 HYP 10 HD2 HYP 10 15.515 10.162 -13.216
79 HD1 HYP 10 HOD HYP 10 16.257 6.885 -12.922
80 H ASN 11 H ASN 11 18.515 10.333 -11.421
81 HA ASN 11 HA ASN 11 19.255 12.336 -9.455
82 HB2 ASN 11 HB2 ASN 11 21.310 12.464 -10.584
83 HB3 ASN 11 HB3 ASN 11 20.885 10.767 -10.491
84 HD21 ASN 11 1HD2 ASN 11 22.429 12.803 -12.478
85 HD22 ASN 11 2HD2 ASN 11 21.968 12.151 -14.048
86 H SER 12 H SER 12 16.920 13.132 -10.319
87 HA SER 12 HA SER 12 16.698 14.599 -12.695
88 HG SER 12 HG SER 12 13.485 15.533 -11.490
89 HB2 SER 12 HB2 SER 12 14.895 13.761 -11.087
90 HB3 SER 12 HB3 SER 12 15.258 15.159 -10.071
91 H DPN 13 H DPN 13 17.975 15.526 -9.628
92 HA DPN 13 HA DPN 13 19.115 17.264 -8.764
93 HD1 DPN 13 HD1 DPN 13 17.995 18.927 -6.898
94 HD2 DPN 13 HD2 DPN 13 15.125 17.787 -9.912
95 HE1 DPN 13 HE1 DPN 13 16.314 18.474 -5.130
96 HE2 DPN 13 HE2 DPN 13 13.450 17.330 -8.140
97 HZ DPN 13 HZ DPN 13 14.038 17.676 -5.746
98 HB2 DPN 13 HB2 DPN 13 17.223 18.804 -10.559
99 HB3 DPN 13 HB3 DPN 13 18.288 19.518 -9.381
100 H TRP 14 H TRP 14 19.803 16.293 -11.694
101 HA TRP 14 HA TRP 14 22.142 18.054 -12.033
102 HD1 TRP 14 HD1 TRP 14 21.168 14.977 -10.149
103 HE1 TRP 14 HE1 TRP 14 22.973 14.213 -8.515
104 HE3 TRP 14 HE3 TRP 14 25.253 16.078 -12.967
105 HZ2 TRP 14 HZ2 TRP 14 25.885 14.087 -8.446
106 HZ3 TRP 14 HZ3 TRP 14 27.555 15.647 -12.103
107 HH2 TRP 14 HH2 TRP 14 27.872 14.649 -9.845
108 HB2 TRP 14 HB2 TRP 14 21.404 15.272 -13.039
109 HB3 TRP 14 HB3 TRP 14 22.883 16.131 -13.455
110 H THR 15 H THR 15 19.045 18.017 -13.229
111 HA THR 15 HA THR 15 19.764 19.429 -15.663
112 HB THR 15 HB THR 15 19.945 17.066 -16.289
113 HG1 THR 15 HG1 THR 15 18.838 17.232 -18.161
114 HG21 THR 15 3HG2 THR 15 16.979 16.774 -15.691
115 HG22 THR 15 1HG2 THR 15 18.319 15.983 -14.838
116 HG23 THR 15 2HG2 THR 15 18.009 15.598 -16.532
Start of MODEL 4
1 HA ASP 1 HA ASP 1 0.287 -1.085 -0.977
2 H1 ASP 1 H1 ASP 1 -1.032 -2.837 -1.833
3 H2 ASP 1 H2 ASP 1 0.386 -3.485 -1.291
4 H3 ASP 1 H3 ASP 1 0.120 -3.287 -2.904
5 HB2 ASP 1 HB2 ASP 1 2.418 -2.157 -2.868
6 HB3 ASP 1 HB3 ASP 1 2.480 -0.569 -2.095
7 H TRP 2 H TRP 2 -0.174 0.943 -1.851
8 HA TRP 2 HA TRP 2 -1.459 0.941 -4.491
9 HD1 TRP 2 HD1 TRP 2 -4.430 1.914 -3.800
10 HE1 TRP 2 HE1 TRP 2 -5.575 3.456 -5.475
11 HE3 TRP 2 HE3 TRP 2 -0.570 5.190 -4.644
12 HZ2 TRP 2 HZ2 TRP 2 -4.902 5.835 -7.013
13 HZ3 TRP 2 HZ3 TRP 2 -0.870 7.079 -6.222
14 HH2 TRP 2 HH2 TRP 2 -3.038 7.398 -7.407
15 HB2 TRP 2 HB2 TRP 2 -2.311 2.086 -2.335
16 HB3 TRP 2 HB3 TRP 2 -1.123 3.333 -2.659
17 H GLU 3 H GLU 3 0.127 0.740 -6.029
18 HA GLU 3 HA GLU 3 2.660 2.143 -5.877
19 HB2 GLU 3 HB2 GLU 3 2.348 -0.127 -6.837
20 HB3 GLU 3 HB3 GLU 3 1.440 0.608 -8.163
21 HG2 GLU 3 HG2 GLU 3 3.436 1.885 -8.848
22 HG3 GLU 3 HG3 GLU 3 4.324 1.288 -7.445
23 H TYR 4 H TYR 4 3.277 3.989 -7.035
24 HA TYR 4 HA TYR 4 1.156 5.781 -7.890
25 HD1 TYR 4 HD2 TYR 4 1.501 7.279 -5.712
26 HD2 TYR 4 HD1 TYR 4 3.549 8.731 -9.213
27 HE1 TYR 4 HE2 TYR 4 0.495 9.517 -5.365
28 HE2 TYR 4 HE1 TYR 4 2.547 10.970 -8.888
29 HH TYR 4 HH TYR 4 0.315 11.701 -6.158
30 HB2 TYR 4 HB2 TYR 4 3.655 6.157 -6.801
31 HB3 TYR 4 HB3 TYR 4 3.900 6.523 -8.512
32 H HIS 5 H HIS 5 1.761 7.111 -9.914
33 HA HIS 5 HA HIS 5 1.995 5.254 -12.249
34 HD1 HIS 5 HD1 HIS 5 0.365 6.993 -15.282
35 HD2 HIS 5 HD2 HIS 5 -0.991 4.306 -12.312
36 HE1 HIS 5 HE1 HIS 5 -0.869 5.109 -16.507
37 HE2 HIS 5 HE2 HIS 5 -1.694 3.479 -14.700
38 HB2 HIS 5 HB2 HIS 5 -0.187 6.874 -11.548
39 HB3 HIS 5 HB3 HIS 5 0.624 7.822 -12.765
40 H ALA 6 H ALA 6 2.205 8.754 -11.523
41 HA ALA 6 HA ALA 6 4.499 9.064 -13.357
42 HB1 ALA 6 HB3 ALA 6 4.088 11.480 -13.032
43 HB2 ALA 6 HB1 ALA 6 2.587 10.648 -13.487
44 HB3 ALA 6 HB2 ALA 6 2.868 11.128 -11.792
45 H HIS 7 H HIS 7 5.426 7.523 -11.570
46 HA HIS 7 HA HIS 7 6.332 8.419 -9.145
47 HD1 HIS 7 HD1 HIS 7 8.419 7.275 -12.672
48 HD2 HIS 7 HD2 HIS 7 5.922 4.287 -11.025
49 HE1 HIS 7 HE1 HIS 7 7.748 5.733 -14.603
50 HE2 HIS 7 HE2 HIS 7 6.286 3.880 -13.587
51 HB2 HIS 7 HB2 HIS 7 8.233 6.690 -9.653
52 HB3 HIS 7 HB3 HIS 7 6.598 6.189 -9.355
53 HA PRO 8 HA PRO 8 9.518 11.332 -9.846
54 HB2 PRO 8 HB2 PRO 8 11.213 10.896 -7.734
55 HB3 PRO 8 HB3 PRO 8 9.553 11.545 -7.542
56 HG2 PRO 8 HG2 PRO 8 10.557 8.699 -7.218
57 HG3 PRO 8 HG3 PRO 8 9.493 9.632 -6.112
58 HD2 PRO 8 HD2 PRO 8 8.513 7.872 -7.943
59 HD3 PRO 8 HD3 PRO 8 7.642 9.374 -7.545
60 H LYS 9 H LYS 9 11.761 11.734 -10.324
61 HA LYS 9 HA LYS 9 13.042 9.514 -11.786
62 HB2 LYS 9 HB2 LYS 9 12.927 12.536 -11.957
63 HB3 LYS 9 HB3 LYS 9 14.289 11.702 -12.639
64 HG2 LYS 9 HG2 LYS 9 12.691 12.102 -14.384
65 HG3 LYS 9 HG3 LYS 9 12.789 10.362 -14.101
66 HD2 LYS 9 HD2 LYS 9 10.670 10.402 -12.865
67 HD3 LYS 9 HD3 LYS 9 10.612 12.178 -12.967
68 HE2 LYS 9 HE2 LYS 9 10.487 11.987 -15.456
69 HE3 LYS 9 HE3 LYS 9 10.518 10.223 -15.310
70 HZ1 LYS 9 HZ3 LYS 9 8.270 11.002 -15.533
71 HZ2 LYS 9 HZ1 LYS 9 8.410 12.012 -14.256
72 HZ3 LYS 9 HZ2 LYS 9 8.447 10.392 -14.021
73 HA HYP 10 HA HYP 10 16.354 9.462 -8.907
74 HG HYP 10 HG HYP 10 17.779 9.309 -12.505
75 HB2 HYP 10 HB2 HYP 10 18.491 8.584 -10.337
76 HB3 HYP 10 HB3 HYP 10 17.014 7.619 -10.112
77 HD22 HYP 10 HD3 HYP 10 14.928 8.430 -12.159
78 HD23 HYP 10 HD2 HYP 10 15.602 9.926 -12.871
79 HD1 HYP 10 HOD HYP 10 17.026 7.482 -13.584
80 H ASN 11 H ASN 11 18.748 10.437 -11.261
81 HA ASN 11 HA ASN 11 19.547 12.661 -9.592
82 HB2 ASN 11 HB2 ASN 11 21.524 12.692 -10.856
83 HB3 ASN 11 HB3 ASN 11 21.130 11.006 -10.574
84 HD21 ASN 11 1HD2 ASN 11 22.590 12.761 -12.816
85 HD22 ASN 11 2HD2 ASN 11 22.004 12.007 -14.296
86 H SER 12 H SER 12 17.109 13.290 -10.504
87 HA SER 12 HA SER 12 16.900 14.595 -12.986
88 HG SER 12 HG SER 12 13.607 15.448 -11.963
89 HB2 SER 12 HB2 SER 12 15.071 13.764 -11.412
90 HB3 SER 12 HB3 SER 12 15.332 15.225 -10.453
91 H DPN 13 H DPN 13 18.041 15.715 -9.931
92 HA DPN 13 HA DPN 13 19.101 17.528 -9.128
93 HD1 DPN 13 HD1 DPN 13 15.179 17.700 -10.207
94 HD2 DPN 13 HD2 DPN 13 17.949 19.473 -7.413
95 HE1 DPN 13 HE1 DPN 13 13.574 17.300 -8.358
96 HE2 DPN 13 HE2 DPN 13 16.333 19.085 -5.571
97 HZ DPN 13 HZ DPN 13 14.143 17.998 -6.037
98 HB2 DPN 13 HB2 DPN 13 17.162 18.903 -11.008
99 HB3 DPN 13 HB3 DPN 13 18.226 19.730 -9.905
100 H TRP 14 H TRP 14 19.912 16.422 -11.964
101 HA TRP 14 HA TRP 14 22.223 18.222 -12.289
102 HD1 TRP 14 HD1 TRP 14 21.181 15.208 -10.283
103 HE1 TRP 14 HE1 TRP 14 22.877 14.601 -8.477
104 HE3 TRP 14 HE3 TRP 14 25.438 16.305 -12.842
105 HZ2 TRP 14 HZ2 TRP 14 25.776 14.581 -8.182
106 HZ3 TRP 14 HZ3 TRP 14 27.676 15.999 -11.783
107 HH2 TRP 14 HH2 TRP 14 27.848 15.135 -9.456
108 HB2 TRP 14 HB2 TRP 14 21.622 15.361 -13.154
109 HB3 TRP 14 HB3 TRP 14 23.105 16.235 -13.514
110 H THR 15 H THR 15 19.204 18.086 -13.642
111 HA THR 15 HA THR 15 20.059 19.297 -16.138
112 HB THR 15 HB THR 15 20.204 16.836 -16.511
113 HG1 THR 15 HG1 THR 15 19.898 18.048 -18.291
114 HG21 THR 15 3HG2 THR 15 18.192 15.474 -16.801
115 HG22 THR 15 1HG2 THR 15 17.190 16.780 -16.135
116 HG23 THR 15 2HG2 THR 15 18.410 15.981 -15.123
Start of MODEL 5
1 HA ASP 1 HA ASP 1 0.894 -0.157 -0.380
2 H1 ASP 1 H1 ASP 1 1.317 -2.721 -1.743
3 H2 ASP 1 H2 ASP 1 -0.045 -2.264 -0.965
4 H3 ASP 1 H3 ASP 1 1.337 -2.508 -0.112
5 HB2 ASP 1 HB2 ASP 1 3.229 -0.846 -0.181
6 HB3 ASP 1 HB3 ASP 1 3.313 -1.171 -1.919
7 H TRP 2 H TRP 2 0.074 1.476 -1.664
8 HA TRP 2 HA TRP 2 -1.005 0.702 -4.265
9 HD1 TRP 2 HD1 TRP 2 -4.106 1.348 -4.051
10 HE1 TRP 2 HE1 TRP 2 -5.298 2.446 -6.021
11 HE3 TRP 2 HE3 TRP 2 -0.668 4.979 -5.126
12 HZ2 TRP 2 HZ2 TRP 2 -4.833 4.683 -7.838
13 HZ3 TRP 2 HZ3 TRP 2 -1.090 6.599 -6.969
14 HH2 TRP 2 HH2 TRP 2 -3.176 6.440 -8.323
15 HB2 TRP 2 HB2 TRP 2 -2.169 2.094 -2.469
16 HB3 TRP 2 HB3 TRP 2 -1.131 3.427 -2.949
17 H GLU 3 H GLU 3 0.396 0.609 -5.918
18 HA GLU 3 HA GLU 3 2.847 2.115 -6.019
19 HB2 GLU 3 HB2 GLU 3 2.579 -0.185 -6.871
20 HB3 GLU 3 HB3 GLU 3 1.506 0.435 -8.129
21 HG2 GLU 3 HG2 GLU 3 3.349 1.784 -9.065
22 HG3 GLU 3 HG3 GLU 3 4.409 1.281 -7.745
23 H TYR 4 H TYR 4 3.266 4.030 -7.085
24 HA TYR 4 HA TYR 4 1.007 5.628 -7.941
25 HD1 TYR 4 HD2 TYR 4 1.100 7.080 -5.786
26 HD2 TYR 4 HD1 TYR 4 3.213 8.854 -9.098
27 HE1 TYR 4 HE2 TYR 4 -0.108 9.212 -5.411
28 HE2 TYR 4 HE1 TYR 4 2.012 10.984 -8.742
29 HH TYR 4 HH TYR 4 0.432 12.122 -7.463
30 HB2 TYR 4 HB2 TYR 4 3.444 6.214 -6.804
31 HB3 TYR 4 HB3 TYR 4 3.674 6.642 -8.505
32 H HIS 5 H HIS 5 1.484 7.065 -9.904
33 HA HIS 5 HA HIS 5 1.818 5.301 -12.294
34 HD1 HIS 5 HD1 HIS 5 0.263 7.048 -15.296
35 HD2 HIS 5 HD2 HIS 5 -1.240 4.402 -12.361
36 HE1 HIS 5 HE1 HIS 5 -0.998 5.202 -16.551
37 HE2 HIS 5 HE2 HIS 5 -1.913 3.597 -14.765
38 HB2 HIS 5 HB2 HIS 5 -0.363 6.915 -11.561
39 HB3 HIS 5 HB3 HIS 5 0.459 7.876 -12.765
40 H ALA 6 H ALA 6 2.040 8.770 -11.426
41 HA ALA 6 HA ALA 6 4.335 9.156 -13.238
42 HB1 ALA 6 HB3 ALA 6 2.436 10.760 -13.281
43 HB2 ALA 6 HB1 ALA 6 2.724 11.147 -11.564
44 HB3 ALA 6 HB2 ALA 6 3.944 11.554 -12.786
45 H HIS 7 H HIS 7 5.251 7.515 -11.533
46 HA HIS 7 HA HIS 7 6.227 8.304 -9.092
47 HD1 HIS 7 HD1 HIS 7 8.213 7.263 -12.718
48 HD2 HIS 7 HD2 HIS 7 5.698 4.263 -11.119
49 HE1 HIS 7 HE1 HIS 7 7.473 5.800 -14.684
50 HE2 HIS 7 HE2 HIS 7 5.997 3.940 -13.701
51 HB2 HIS 7 HB2 HIS 7 8.094 6.576 -9.724
52 HB3 HIS 7 HB3 HIS 7 6.462 6.083 -9.395
53 HA PRO 8 HA PRO 8 9.401 11.225 -9.770
54 HB2 PRO 8 HB2 PRO 8 11.181 10.682 -7.751
55 HB3 PRO 8 HB3 PRO 8 9.535 11.330 -7.462
56 HG2 PRO 8 HG2 PRO 8 10.528 8.467 -7.313
57 HG3 PRO 8 HG3 PRO 8 9.517 9.353 -6.123
58 HD2 PRO 8 HD2 PRO 8 8.448 7.688 -7.988
59 HD3 PRO 8 HD3 PRO 8 7.608 9.179 -7.495
60 H LYS 9 H LYS 9 11.618 11.656 -10.324
61 HA LYS 9 HA LYS 9 12.836 9.521 -11.953
62 HB2 LYS 9 HB2 LYS 9 12.729 12.549 -11.938
63 HB3 LYS 9 HB3 LYS 9 14.073 11.758 -12.705
64 HG2 LYS 9 HG2 LYS 9 12.430 12.257 -14.380
65 HG3 LYS 9 HG3 LYS 9 12.541 10.503 -14.202
66 HD2 LYS 9 HD2 LYS 9 10.453 10.463 -12.910
67 HD3 LYS 9 HD3 LYS 9 10.384 12.242 -12.917
68 HE2 LYS 9 HE2 LYS 9 10.208 12.185 -15.409
69 HE3 LYS 9 HE3 LYS 9 10.254 10.415 -15.361
70 HZ1 LYS 9 HZ3 LYS 9 8.205 10.490 -14.037
71 HZ2 LYS 9 HZ1 LYS 9 7.998 11.195 -15.503
72 HZ3 LYS 9 HZ2 LYS 9 8.153 12.123 -14.166
73 HA HYP 10 HA HYP 10 16.282 9.292 -9.230
74 HG HYP 10 HG HYP 10 17.541 9.375 -12.888
75 HB2 HYP 10 HB2 HYP 10 18.339 8.487 -10.802
76 HB3 HYP 10 HB3 HYP 10 16.857 7.522 -10.585
77 HD22 HYP 10 HD3 HYP 10 14.710 8.468 -12.485
78 HD23 HYP 10 HD2 HYP 10 15.355 10.011 -13.119
79 HD1 HYP 10 HOD HYP 10 17.807 7.168 -13.244
80 H ASN 11 H ASN 11 18.646 10.366 -11.547
81 HA ASN 11 HA ASN 11 19.471 12.470 -9.757
82 HB2 ASN 11 HB2 ASN 11 21.447 12.548 -11.015
83 HB3 ASN 11 HB3 ASN 11 21.019 10.856 -10.843
84 HD21 ASN 11 1HD2 ASN 11 22.516 12.729 -12.970
85 HD22 ASN 11 2HD2 ASN 11 21.914 12.085 -14.495
86 H SER 12 H SER 12 17.027 13.184 -10.717
87 HA SER 12 HA SER 12 16.985 14.738 -13.069
88 HG SER 12 HG SER 12 14.539 15.229 -13.366
89 HB2 SER 12 HB2 SER 12 15.045 13.743 -11.732
90 HB3 SER 12 HB3 SER 12 15.236 15.078 -10.592
91 H DPN 13 H DPN 13 18.026 15.490 -9.880
92 HA DPN 13 HA DPN 13 19.099 17.183 -8.870
93 HD1 DPN 13 HD1 DPN 13 18.010 19.079 -6.947
94 HD2 DPN 13 HD2 DPN 13 15.189 17.469 -9.789
95 HE1 DPN 13 HE1 DPN 13 16.421 18.598 -5.103
96 HE2 DPN 13 HE2 DPN 13 13.609 16.982 -7.939
97 HZ DPN 13 HZ DPN 13 14.220 17.545 -5.593
98 HB2 DPN 13 HB2 DPN 13 17.144 18.787 -10.540
99 HB3 DPN 13 HB3 DPN 13 18.253 19.482 -9.398
100 H TRP 14 H TRP 14 19.887 16.398 -11.813
101 HA TRP 14 HA TRP 14 22.180 18.244 -11.969
102 HD1 TRP 14 HD1 TRP 14 21.146 15.010 -10.212
103 HE1 TRP 14 HE1 TRP 14 22.805 14.311 -8.403
104 HE3 TRP 14 HE3 TRP 14 25.438 16.486 -12.509
105 HZ2 TRP 14 HZ2 TRP 14 25.692 14.373 -8.005
106 HZ3 TRP 14 HZ3 TRP 14 27.651 16.169 -11.401
107 HH2 TRP 14 HH2 TRP 14 27.780 15.111 -9.153
108 HB2 TRP 14 HB2 TRP 14 21.652 15.430 -13.021
109 HB3 TRP 14 HB3 TRP 14 23.129 16.349 -13.284
110 H THR 15 H THR 15 19.212 17.862 -13.469
111 HA THR 15 HA THR 15 20.135 19.158 -15.972
112 HB THR 15 HB THR 15 18.353 17.692 -17.143
113 HG1 THR 15 HG1 THR 15 17.943 15.717 -16.220
114 HG21 THR 15 3HG2 THR 15 20.914 16.343 -16.183
115 HG22 THR 15 1HG2 THR 15 20.798 17.508 -17.519
116 HG23 THR 15 2HG2 THR 15 19.974 15.948 -17.638
Start of MODEL 6
1 HA ASP 1 HA ASP 1 0.124 -0.613 -0.743
2 H1 ASP 1 H1 ASP 1 0.746 -3.054 -2.248
3 H2 ASP 1 H2 ASP 1 -0.716 -2.650 -1.641
4 H3 ASP 1 H3 ASP 1 0.526 -2.983 -0.619
5 HB2 ASP 1 HB2 ASP 1 2.404 -1.340 -0.264
6 HB3 ASP 1 HB3 ASP 1 2.744 -1.520 -1.992
7 H TRP 2 H TRP 2 -0.510 1.129 -1.985
8 HA TRP 2 HA TRP 2 -1.180 0.600 -4.780
9 HD1 TRP 2 HD1 TRP 2 -4.257 1.257 -5.058
10 HE1 TRP 2 HE1 TRP 2 -5.103 2.580 -7.068
11 HE3 TRP 2 HE3 TRP 2 -0.731 4.950 -5.098
12 HZ2 TRP 2 HZ2 TRP 2 -4.355 5.009 -8.511
13 HZ3 TRP 2 HZ3 TRP 2 -0.847 6.784 -6.782
14 HH2 TRP 2 HH2 TRP 2 -2.662 6.799 -8.492
15 HB2 TRP 2 HB2 TRP 2 -2.628 1.816 -3.083
16 HB3 TRP 2 HB3 TRP 2 -1.532 3.180 -3.239
17 H GLU 3 H GLU 3 0.451 0.639 -6.201
18 HA GLU 3 HA GLU 3 2.840 2.240 -5.858
19 HB2 GLU 3 HB2 GLU 3 2.811 -0.035 -6.833
20 HB3 GLU 3 HB3 GLU 3 1.903 0.603 -8.208
21 HG2 GLU 3 HG2 GLU 3 3.797 2.068 -8.804
22 HG3 GLU 3 HG3 GLU 3 4.672 1.554 -7.360
23 H TYR 4 H TYR 4 3.378 4.153 -6.952
24 HA TYR 4 HA TYR 4 1.179 5.776 -7.868
25 HD1 TYR 4 HD2 TYR 4 1.361 7.251 -5.678
26 HD2 TYR 4 HD1 TYR 4 3.415 8.924 -9.079
27 HE1 TYR 4 HE2 TYR 4 0.214 9.413 -5.300
28 HE2 TYR 4 HE1 TYR 4 2.271 11.088 -8.720
29 HH TYR 4 HH TYR 4 -0.070 11.606 -6.034
30 HB2 TYR 4 HB2 TYR 4 3.635 6.306 -6.738
31 HB3 TYR 4 HB3 TYR 4 3.866 6.721 -8.442
32 H HIS 5 H HIS 5 1.665 7.178 -9.829
33 HA HIS 5 HA HIS 5 1.935 5.388 -12.208
34 HD1 HIS 5 HD1 HIS 5 0.294 7.130 -15.192
35 HD2 HIS 5 HD2 HIS 5 -1.103 4.499 -12.191
36 HE1 HIS 5 HE1 HIS 5 -1.004 5.273 -16.393
37 HE2 HIS 5 HE2 HIS 5 -1.854 3.677 -14.567
38 HB2 HIS 5 HB2 HIS 5 -0.216 7.031 -11.445
39 HB3 HIS 5 HB3 HIS 5 0.588 7.970 -12.678
40 H ALA 6 H ALA 6 2.197 8.873 -11.405
41 HA ALA 6 HA ALA 6 4.510 9.174 -13.223
42 HB1 ALA 6 HB3 ALA 6 4.125 11.592 -12.881
43 HB2 ALA 6 HB1 ALA 6 2.619 10.785 -13.365
44 HB3 ALA 6 HB2 ALA 6 2.883 11.244 -11.662
45 H HIS 7 H HIS 7 5.394 7.603 -11.436
46 HA HIS 7 HA HIS 7 6.309 8.512 -9.007
47 HD1 HIS 7 HD1 HIS 7 8.345 7.190 -12.525
48 HD2 HIS 7 HD2 HIS 7 5.702 4.390 -10.777
49 HE1 HIS 7 HE1 HIS 7 7.564 5.642 -14.408
50 HE2 HIS 7 HE2 HIS 7 6.014 3.899 -13.331
51 HB2 HIS 7 HB2 HIS 7 8.166 6.720 -9.500
52 HB3 HIS 7 HB3 HIS 7 6.523 6.277 -9.157
53 HA PRO 8 HA PRO 8 9.543 11.342 -9.795
54 HB2 PRO 8 HB2 PRO 8 11.261 10.916 -7.698
55 HB3 PRO 8 HB3 PRO 8 9.614 11.595 -7.496
56 HG2 PRO 8 HG2 PRO 8 10.577 8.740 -7.135
57 HG3 PRO 8 HG3 PRO 8 9.542 9.708 -6.033
58 HD2 PRO 8 HD2 PRO 8 8.512 7.932 -7.818
59 HD3 PRO 8 HD3 PRO 8 7.669 9.455 -7.437
60 H LYS 9 H LYS 9 11.771 11.710 -10.323
61 HA LYS 9 HA LYS 9 13.016 9.451 -11.753
62 HB2 LYS 9 HB2 LYS 9 12.951 12.470 -11.954
63 HB3 LYS 9 HB3 LYS 9 14.319 11.617 -12.606
64 HG2 LYS 9 HG2 LYS 9 12.749 12.014 -14.379
65 HG3 LYS 9 HG3 LYS 9 12.831 10.276 -14.077
66 HD2 LYS 9 HD2 LYS 9 10.692 10.348 -12.868
67 HD3 LYS 9 HD3 LYS 9 10.649 12.122 -13.001
68 HE2 LYS 9 HE2 LYS 9 10.570 11.898 -15.486
69 HE3 LYS 9 HE3 LYS 9 10.588 10.136 -15.318
70 HZ1 LYS 9 HZ3 LYS 9 8.351 10.935 -15.601
71 HZ2 LYS 9 HZ1 LYS 9 8.468 11.946 -14.323
72 HZ3 LYS 9 HZ2 LYS 9 8.489 10.324 -14.087
73 HA HYP 10 HA HYP 10 16.309 9.319 -8.864
74 HG HYP 10 HG HYP 10 17.731 9.101 -12.476
75 HB2 HYP 10 HB2 HYP 10 18.438 8.407 -10.295
76 HB3 HYP 10 HB3 HYP 10 16.951 7.464 -10.051
77 HD22 HYP 10 HD3 HYP 10 14.863 8.318 -12.118
78 HD23 HYP 10 HD2 HYP 10 15.586 9.790 -12.832
79 HD1 HYP 10 HOD HYP 10 17.941 6.865 -12.628
80 H ASN 11 H ASN 11 18.661 10.271 -11.288
81 HA ASN 11 HA ASN 11 19.570 12.463 -9.624
82 HB2 ASN 11 HB2 ASN 11 21.488 12.487 -10.978
83 HB3 ASN 11 HB3 ASN 11 21.090 10.803 -10.696
84 HD21 ASN 11 1HD2 ASN 11 22.469 12.560 -12.984
85 HD22 ASN 11 2HD2 ASN 11 21.804 11.832 -14.444
86 H SER 12 H SER 12 17.102 13.126 -10.415
87 HA SER 12 HA SER 12 16.777 14.461 -12.867
88 HG SER 12 HG SER 12 13.564 15.358 -11.651
89 HB2 SER 12 HB2 SER 12 15.027 13.645 -11.192
90 HB3 SER 12 HB3 SER 12 15.369 15.097 -10.244
91 H DPN 13 H DPN 13 18.076 15.539 -9.860
92 HA DPN 13 HA DPN 13 19.187 17.334 -9.083
93 HD1 DPN 13 HD1 DPN 13 18.041 19.025 -7.280
94 HD2 DPN 13 HD2 DPN 13 15.187 17.727 -10.244
95 HE1 DPN 13 HE1 DPN 13 16.383 18.572 -5.490
96 HE2 DPN 13 HE2 DPN 13 13.537 17.269 -8.451
97 HZ DPN 13 HZ DPN 13 14.127 17.696 -6.070
98 HB2 DPN 13 HB2 DPN 13 17.259 18.761 -10.933
99 HB3 DPN 13 HB3 DPN 13 18.314 19.542 -9.787
100 H TRP 14 H TRP 14 19.854 16.259 -11.997
101 HA TRP 14 HA TRP 14 22.171 18.040 -12.402
102 HD1 TRP 14 HD1 TRP 14 21.212 14.966 -10.372
103 HE1 TRP 14 HE1 TRP 14 22.982 14.390 -8.627
104 HE3 TRP 14 HE3 TRP 14 25.350 16.228 -13.047
105 HZ2 TRP 14 HZ2 TRP 14 25.889 14.460 -8.421
106 HZ3 TRP 14 HZ3 TRP 14 27.629 15.982 -12.061
107 HH2 TRP 14 HH2 TRP 14 27.901 15.096 -9.752
108 HB2 TRP 14 HB2 TRP 14 21.526 15.178 -13.230
109 HB3 TRP 14 HB3 TRP 14 22.994 16.047 -13.660
110 H THR 15 H THR 15 19.100 17.847 -13.639
111 HA THR 15 HA THR 15 19.605 17.965 -16.474
112 HB THR 15 HB THR 15 17.297 19.061 -16.494
113 HG1 THR 15 HG1 THR 15 17.138 18.092 -13.828
114 HG21 THR 15 3HG2 THR 15 17.633 16.704 -17.010
115 HG22 THR 15 1HG2 THR 15 16.155 16.907 -16.059
116 HG23 THR 15 2HG2 THR 15 17.631 16.279 -15.287
Start of MODEL 7
1 HA ASP 1 HA ASP 1 -0.091 -0.374 -0.347
2 H1 ASP 1 H1 ASP 1 0.442 -2.535 -1.251
3 H2 ASP 1 H2 ASP 1 1.326 -2.222 0.101
4 H3 ASP 1 H3 ASP 1 2.019 -2.116 -1.387
5 HB2 ASP 1 HB2 ASP 1 1.520 1.408 -0.365
6 HB3 ASP 1 HB3 ASP 1 2.201 0.075 0.567
7 H TRP 2 H TRP 2 -0.548 1.497 -1.808
8 HA TRP 2 HA TRP 2 -0.951 0.557 -4.548
9 HD1 TRP 2 HD1 TRP 2 -3.975 0.867 -5.250
10 HE1 TRP 2 HE1 TRP 2 -4.733 1.940 -7.438
11 HE3 TRP 2 HE3 TRP 2 -0.886 4.912 -5.225
12 HZ2 TRP 2 HZ2 TRP 2 -4.105 4.349 -8.981
13 HZ3 TRP 2 HZ3 TRP 2 -1.027 6.631 -7.037
14 HH2 TRP 2 HH2 TRP 2 -2.635 6.326 -8.919
15 HB2 TRP 2 HB2 TRP 2 -2.650 1.790 -3.154
16 HB3 TRP 2 HB3 TRP 2 -1.668 3.236 -3.347
17 H GLU 3 H GLU 3 0.741 0.594 -5.870
18 HA GLU 3 HA GLU 3 2.982 2.390 -5.618
19 HB2 GLU 3 HB2 GLU 3 3.147 0.078 -6.458
20 HB3 GLU 3 HB3 GLU 3 2.188 0.547 -7.866
21 HG2 GLU 3 HG2 GLU 3 3.952 2.121 -8.572
22 HG3 GLU 3 HG3 GLU 3 4.873 1.773 -7.106
23 H TYR 4 H TYR 4 3.393 4.286 -6.786
24 HA TYR 4 HA TYR 4 1.083 5.696 -7.732
25 HD1 TYR 4 HD2 TYR 4 1.094 7.217 -5.650
26 HD2 TYR 4 HD1 TYR 4 3.131 9.007 -9.003
27 HE1 TYR 4 HE2 TYR 4 -0.213 9.295 -5.327
28 HE2 TYR 4 HE1 TYR 4 1.824 11.086 -8.699
29 HH TYR 4 HH TYR 4 -0.627 11.457 -6.089
30 HB2 TYR 4 HB2 TYR 4 3.497 6.449 -6.646
31 HB3 TYR 4 HB3 TYR 4 3.682 6.832 -8.364
32 H HIS 5 H HIS 5 1.427 7.103 -9.718
33 HA HIS 5 HA HIS 5 1.700 5.288 -12.070
34 HD1 HIS 5 HD1 HIS 5 -0.001 6.932 -15.053
35 HD2 HIS 5 HD2 HIS 5 -1.363 4.442 -11.919
36 HE1 HIS 5 HE1 HIS 5 -1.363 5.055 -16.148
37 HE2 HIS 5 HE2 HIS 5 -2.191 3.545 -14.241
38 HB2 HIS 5 HB2 HIS 5 -0.414 6.977 -11.293
39 HB3 HIS 5 HB3 HIS 5 0.369 7.863 -12.581
40 H ALA 6 H ALA 6 2.030 8.768 -11.305
41 HA ALA 6 HA ALA 6 4.255 9.101 -13.210
42 HB1 ALA 6 HB3 ALA 6 2.399 10.742 -13.214
43 HB2 ALA 6 HB1 ALA 6 2.719 11.125 -11.503
44 HB3 ALA 6 HB2 ALA 6 3.929 11.507 -12.743
45 H HIS 7 H HIS 7 5.248 7.482 -11.645
46 HA HIS 7 HA HIS 7 6.259 7.996 -9.180
47 HD1 HIS 7 HD1 HIS 7 5.593 5.183 -12.460
48 HD2 HIS 7 HD2 HIS 7 9.336 7.149 -12.372
49 HE1 HIS 7 HE1 HIS 7 6.484 5.161 -14.850
50 HE2 HIS 7 HE2 HIS 7 8.787 6.304 -14.792
51 HB2 HIS 7 HB2 HIS 7 8.175 6.486 -9.972
52 HB3 HIS 7 HB3 HIS 7 6.576 5.843 -9.940
53 HA PRO 8 HA PRO 8 9.435 11.061 -9.441
54 HB2 PRO 8 HB2 PRO 8 11.271 10.139 -7.609
55 HB3 PRO 8 HB3 PRO 8 9.679 10.830 -7.161
56 HG2 PRO 8 HG2 PRO 8 10.516 7.927 -7.445
57 HG3 PRO 8 HG3 PRO 8 9.580 8.685 -6.113
58 HD2 PRO 8 HD2 PRO 8 8.378 7.340 -8.149
59 HD3 PRO 8 HD3 PRO 8 7.632 8.788 -7.437
60 H LYS 9 H LYS 9 11.600 11.505 -10.085
61 HA LYS 9 HA LYS 9 12.785 9.507 -11.919
62 HB2 LYS 9 HB2 LYS 9 12.638 12.514 -11.707
63 HB3 LYS 9 HB3 LYS 9 14.072 11.829 -12.413
64 HG2 LYS 9 HG2 LYS 9 12.533 12.383 -14.165
65 HG3 LYS 9 HG3 LYS 9 12.735 10.631 -14.110
66 HD2 LYS 9 HD2 LYS 9 10.571 10.384 -12.955
67 HD3 LYS 9 HD3 LYS 9 10.359 12.137 -12.905
68 HE2 LYS 9 HE2 LYS 9 10.594 10.454 -15.447
69 HE3 LYS 9 HE3 LYS 9 9.066 10.940 -14.707
70 HZ1 LYS 9 HZ3 LYS 9 11.087 12.801 -15.800
71 HZ2 LYS 9 HZ1 LYS 9 9.682 13.250 -15.080
72 HZ3 LYS 9 HZ2 LYS 9 9.656 12.420 -16.486
73 HA HYP 10 HA HYP 10 16.227 9.027 -9.218
74 HG HYP 10 HG HYP 10 17.501 9.417 -12.842
75 HB2 HYP 10 HB2 HYP 10 18.270 8.318 -10.846
76 HB3 HYP 10 HB3 HYP 10 16.769 7.366 -10.727
77 HD22 HYP 10 HD3 HYP 10 14.658 8.505 -12.552
78 HD23 HYP 10 HD2 HYP 10 15.324 10.095 -13.031
79 HD1 HYP 10 HOD HYP 10 17.751 7.253 -13.405
80 H ASN 11 H ASN 11 18.673 10.218 -11.354
81 HA ASN 11 HA ASN 11 19.362 12.316 -9.477
82 HB2 ASN 11 HB2 ASN 11 21.433 12.404 -10.592
83 HB3 ASN 11 HB3 ASN 11 21.017 10.713 -10.407
84 HD21 ASN 11 1HD2 ASN 11 22.550 12.664 -12.499
85 HD22 ASN 11 2HD2 ASN 11 22.115 11.911 -14.031
86 H SER 12 H SER 12 17.036 13.055 -10.423
87 HA SER 12 HA SER 12 16.851 14.421 -12.861
88 HG SER 12 HG SER 12 13.612 15.382 -11.757
89 HB2 SER 12 HB2 SER 12 15.024 13.642 -11.248
90 HB3 SER 12 HB3 SER 12 15.362 15.086 -10.290
91 H DPN 13 H DPN 13 18.068 15.481 -9.813
92 HA DPN 13 HA DPN 13 19.182 17.262 -9.004
93 HD1 DPN 13 HD1 DPN 13 17.996 18.953 -7.237
94 HD2 DPN 13 HD2 DPN 13 15.214 17.753 -10.310
95 HE1 DPN 13 HE1 DPN 13 16.254 18.562 -5.513
96 HE2 DPN 13 HE2 DPN 13 13.478 17.360 -8.582
97 HZ DPN 13 HZ DPN 13 13.993 17.766 -6.180
98 HB2 DPN 13 HB2 DPN 13 17.340 18.714 -10.919
99 HB3 DPN 13 HB3 DPN 13 18.363 19.481 -9.737
100 H TRP 14 H TRP 14 19.908 16.183 -11.916
101 HA TRP 14 HA TRP 14 22.256 17.933 -12.266
102 HD1 TRP 14 HD1 TRP 14 21.275 14.911 -10.276
103 HE1 TRP 14 HE1 TRP 14 23.061 14.258 -8.574
104 HE3 TRP 14 HE3 TRP 14 25.392 16.007 -13.047
105 HZ2 TRP 14 HZ2 TRP 14 25.973 14.211 -8.437
106 HZ3 TRP 14 HZ3 TRP 14 27.684 15.671 -12.116
107 HH2 TRP 14 HH2 TRP 14 27.976 14.772 -9.815
108 HB2 TRP 14 HB2 TRP 14 21.551 15.106 -13.159
109 HB3 TRP 14 HB3 TRP 14 23.031 15.953 -13.595
110 H THR 15 H THR 15 19.189 17.824 -13.535
111 HA THR 15 HA THR 15 19.725 18.035 -16.359
112 HB THR 15 HB THR 15 17.433 19.174 -16.359
113 HG1 THR 15 HG1 THR 15 17.239 18.094 -13.738
114 HG21 THR 15 3HG2 THR 15 17.715 16.337 -15.272
115 HG22 THR 15 1HG2 THR 15 17.737 16.836 -16.974
116 HG23 THR 15 2HG2 THR 15 16.255 17.020 -16.026
Start of MODEL 8
1 HA ASP 1 HA ASP 1 1.720 0.207 -0.280
2 H1 ASP 1 H1 ASP 1 2.579 -2.021 -1.977
3 H2 ASP 1 H2 ASP 1 1.362 -2.036 -0.887
4 H3 ASP 1 H3 ASP 1 2.925 -1.890 -0.372
5 HB2 ASP 1 HB2 ASP 1 4.087 0.039 -2.185
6 HB3 ASP 1 HB3 ASP 1 3.414 1.553 -1.571
7 H TRP 2 H TRP 2 0.849 2.024 -1.536
8 HA TRP 2 HA TRP 2 -0.813 1.154 -3.768
9 HD1 TRP 2 HD1 TRP 2 -3.756 2.164 -3.018
10 HE1 TRP 2 HE1 TRP 2 -5.207 3.263 -4.805
11 HE3 TRP 2 HE3 TRP 2 -0.264 5.303 -5.044
12 HZ2 TRP 2 HZ2 TRP 2 -4.898 5.310 -6.864
13 HZ3 TRP 2 HZ3 TRP 2 -0.883 6.833 -6.908
14 HH2 TRP 2 HH2 TRP 2 -3.206 6.829 -7.812
15 HB2 TRP 2 HB2 TRP 2 -1.474 2.772 -1.915
16 HB3 TRP 2 HB3 TRP 2 -0.438 3.963 -2.687
17 H GLU 3 H GLU 3 0.110 0.897 -5.699
18 HA GLU 3 HA GLU 3 2.673 2.004 -6.352
19 HB2 GLU 3 HB2 GLU 3 1.892 -0.257 -7.013
20 HB3 GLU 3 HB3 GLU 3 0.722 0.505 -8.088
21 HG2 GLU 3 HG2 GLU 3 2.640 -0.244 -9.366
22 HG3 GLU 3 HG3 GLU 3 2.575 1.510 -9.402
23 H TYR 4 H TYR 4 3.182 3.754 -7.596
24 HA TYR 4 HA TYR 4 1.051 5.671 -8.236
25 HD1 TYR 4 HD1 TYR 4 1.475 7.140 -6.112
26 HD2 TYR 4 HD2 TYR 4 3.522 8.554 -9.629
27 HE1 TYR 4 HE1 TYR 4 0.552 9.406 -5.730
28 HE2 TYR 4 HE2 TYR 4 2.607 10.824 -9.266
29 HH TYR 4 HH TYR 4 0.441 11.604 -6.497
30 HB2 TYR 4 HB2 TYR 4 3.601 5.967 -7.251
31 HB3 TYR 4 HB3 TYR 4 3.794 6.325 -8.970
32 H HIS 5 H HIS 5 1.643 6.995 -10.293
33 HA HIS 5 HA HIS 5 1.767 5.139 -12.636
34 HD1 HIS 5 HD1 HIS 5 0.090 6.981 -15.621
35 HD2 HIS 5 HD2 HIS 5 -1.204 4.220 -12.692
36 HE1 HIS 5 HE1 HIS 5 -1.181 5.135 -16.866
37 HE2 HIS 5 HE2 HIS 5 -1.968 3.459 -15.084
38 HB2 HIS 5 HB2 HIS 5 -0.382 6.778 -11.886
39 HB3 HIS 5 HB3 HIS 5 0.420 7.739 -13.097
40 H ALA 6 H ALA 6 2.039 8.626 -11.915
41 HA ALA 6 HA ALA 6 4.268 8.931 -13.831
42 HB1 ALA 6 HB3 ALA 6 2.351 10.502 -13.932
43 HB2 ALA 6 HB1 ALA 6 2.656 10.998 -12.247
44 HB3 ALA 6 HB2 ALA 6 3.851 11.350 -13.511
45 H HIS 7 H HIS 7 5.296 7.442 -12.167
46 HA HIS 7 HA HIS 7 6.162 8.099 -9.692
47 HD1 HIS 7 HD1 HIS 7 5.721 5.080 -12.821
48 HD2 HIS 7 HD2 HIS 7 9.378 7.198 -12.700
49 HE1 HIS 7 HE1 HIS 7 6.692 4.992 -15.179
50 HE2 HIS 7 HE2 HIS 7 8.950 6.218 -15.096
51 HB2 HIS 7 HB2 HIS 7 8.145 6.582 -10.297
52 HB3 HIS 7 HB3 HIS 7 6.552 5.919 -10.318
53 HA PRO 8 HA PRO 8 9.352 11.167 -9.902
54 HB2 PRO 8 HB2 PRO 8 10.973 10.412 -7.822
55 HB3 PRO 8 HB3 PRO 8 9.331 11.089 -7.590
56 HG2 PRO 8 HG2 PRO 8 10.244 8.194 -7.599
57 HG3 PRO 8 HG3 PRO 8 9.169 9.011 -6.416
58 HD2 PRO 8 HD2 PRO 8 8.204 7.519 -8.483
59 HD3 PRO 8 HD3 PRO 8 7.360 8.979 -7.918
60 H LYS 9 H LYS 9 11.660 11.525 -10.257
61 HA LYS 9 HA LYS 9 12.870 9.406 -11.929
62 HB2 LYS 9 HB2 LYS 9 12.773 12.439 -11.932
63 HB3 LYS 9 HB3 LYS 9 14.092 11.617 -12.699
64 HG2 LYS 9 HG2 LYS 9 12.421 12.158 -14.359
65 HG3 LYS 9 HG3 LYS 9 12.541 10.402 -14.201
66 HD2 LYS 9 HD2 LYS 9 10.485 10.336 -12.882
67 HD3 LYS 9 HD3 LYS 9 10.402 12.113 -12.853
68 HE2 LYS 9 HE2 LYS 9 10.120 12.076 -15.341
69 HE3 LYS 9 HE3 LYS 9 10.187 10.306 -15.301
70 HZ1 LYS 9 HZ3 LYS 9 8.124 12.012 -14.048
71 HZ2 LYS 9 HZ1 LYS 9 8.226 10.400 -13.797
72 HZ3 LYS 9 HZ2 LYS 9 7.916 10.987 -15.304
73 HA HYP 10 HA HYP 10 16.197 9.178 -9.091
74 HG HYP 10 HG HYP 10 17.577 9.154 -12.700
75 HB2 HYP 10 HB2 HYP 10 18.303 8.317 -10.581
76 HB3 HYP 10 HB3 HYP 10 16.809 7.374 -10.372
77 HD22 HYP 10 HD3 HYP 10 14.713 8.325 -12.377
78 HD23 HYP 10 HD2 HYP 10 15.423 9.834 -13.023
79 HD1 HYP 10 HOD HYP 10 16.272 6.625 -12.492
80 H ASN 11 H ASN 11 18.583 10.201 -11.435
81 HA ASN 11 HA ASN 11 19.504 12.277 -9.655
82 HB2 ASN 11 HB2 ASN 11 21.433 12.344 -11.000
83 HB3 ASN 11 HB3 ASN 11 20.991 10.654 -10.808
84 HD21 ASN 11 1HD2 ASN 11 22.263 12.696 -13.040
85 HD22 ASN 11 2HD2 ASN 11 21.620 11.995 -14.523
86 H SER 12 H SER 12 17.017 13.020 -10.573
87 HA SER 12 HA SER 12 17.001 14.576 -12.929
88 HG SER 12 HG SER 12 14.753 16.264 -12.377
89 HB2 SER 12 HB2 SER 12 15.063 13.538 -11.600
90 HB3 SER 12 HB3 SER 12 15.185 14.920 -10.511
91 H DPN 13 H DPN 13 18.033 15.296 -9.733
92 HA DPN 13 HA DPN 13 19.094 16.984 -8.705
93 HD1 DPN 13 HD1 DPN 13 15.169 17.288 -9.616
94 HD2 DPN 13 HD2 DPN 13 18.001 18.802 -6.735
95 HE1 DPN 13 HE1 DPN 13 13.594 16.744 -7.778
96 HE2 DPN 13 HE2 DPN 13 16.418 18.267 -4.902
97 HZ DPN 13 HZ DPN 13 14.212 17.236 -5.418
98 HB2 DPN 13 HB2 DPN 13 17.126 18.605 -10.338
99 HB3 DPN 13 HB3 DPN 13 18.237 19.278 -9.180
100 H TRP 14 H TRP 14 19.881 16.206 -11.614
101 HA TRP 14 HA TRP 14 22.149 18.080 -11.801
102 HD1 TRP 14 HD1 TRP 14 21.080 14.777 -10.011
103 HE1 TRP 14 HE1 TRP 14 22.647 14.177 -8.089
104 HE3 TRP 14 HE3 TRP 14 25.445 16.460 -12.028
105 HZ2 TRP 14 HZ2 TRP 14 25.490 14.390 -7.497
106 HZ3 TRP 14 HZ3 TRP 14 27.585 16.262 -10.768
107 HH2 TRP 14 HH2 TRP 14 27.613 15.226 -8.506
108 HB2 TRP 14 HB2 TRP 14 21.710 15.216 -12.754
109 HB3 TRP 14 HB3 TRP 14 23.182 16.153 -12.974
110 H THR 15 H THR 15 19.233 17.491 -13.358
111 HA THR 15 HA THR 15 20.089 17.825 -16.117
112 HB THR 15 HB THR 15 17.322 18.140 -14.883
113 HG1 THR 15 HG1 THR 15 17.066 15.968 -15.375
114 HG21 THR 15 3HG2 THR 15 17.479 19.028 -17.185
115 HG22 THR 15 1HG2 THR 15 16.531 17.536 -17.160
116 HG23 THR 15 2HG2 THR 15 18.214 17.509 -17.740
Start of MODEL 9
1 HA ASP 1 HA ASP 1 0.538 0.697 0.076
2 H1 ASP 1 H1 ASP 1 -0.809 -1.903 -0.016
3 H2 ASP 1 H2 ASP 1 -1.363 -0.541 0.696
4 H3 ASP 1 H3 ASP 1 -0.033 -1.305 1.309
5 HB2 ASP 1 HB2 ASP 1 1.540 -1.954 -1.032
6 HB3 ASP 1 HB3 ASP 1 2.245 -0.384 -1.430
7 H TRP 2 H TRP 2 0.837 1.631 -2.099
8 HA TRP 2 HA TRP 2 -0.823 0.613 -4.291
9 HD1 TRP 2 HD1 TRP 2 -3.909 1.138 -4.836
10 HE1 TRP 2 HE1 TRP 2 -4.766 2.292 -6.947
11 HE3 TRP 2 HE3 TRP 2 -0.562 4.959 -5.019
12 HZ2 TRP 2 HZ2 TRP 2 -4.112 4.693 -8.500
13 HZ3 TRP 2 HZ3 TRP 2 -0.733 6.723 -6.788
14 HH2 TRP 2 HH2 TRP 2 -2.512 6.566 -8.531
15 HB2 TRP 2 HB2 TRP 2 -2.365 1.954 -2.840
16 HB3 TRP 2 HB3 TRP 2 -1.331 3.351 -3.102
17 H GLU 3 H GLU 3 0.316 0.894 -6.113
18 HA GLU 3 HA GLU 3 2.877 2.290 -5.971
19 HB2 GLU 3 HB2 GLU 3 2.596 -0.026 -6.835
20 HB3 GLU 3 HB3 GLU 3 1.667 0.639 -8.181
21 HG2 GLU 3 HG2 GLU 3 3.631 1.941 -8.922
22 HG3 GLU 3 HG3 GLU 3 4.546 1.389 -7.518
23 H TYR 4 H TYR 4 3.377 4.173 -7.072
24 HA TYR 4 HA TYR 4 1.206 5.827 -8.006
25 HD1 TYR 4 HD1 TYR 4 1.455 7.357 -5.861
26 HD2 TYR 4 HD2 TYR 4 3.510 8.875 -9.332
27 HE1 TYR 4 HE1 TYR 4 0.369 9.559 -5.533
28 HE2 TYR 4 HE2 TYR 4 2.428 11.079 -9.023
29 HH TYR 4 HH TYR 4 0.135 11.736 -6.326
30 HB2 TYR 4 HB2 TYR 4 3.688 6.322 -6.918
31 HB3 TYR 4 HB3 TYR 4 3.913 6.681 -8.635
32 H HIS 5 H HIS 5 1.724 7.163 -10.018
33 HA HIS 5 HA HIS 5 1.961 5.305 -12.349
34 HD1 HIS 5 HD1 HIS 5 0.290 7.020 -15.370
35 HD2 HIS 5 HD2 HIS 5 -1.041 4.397 -12.333
36 HE1 HIS 5 HE1 HIS 5 -0.999 5.138 -16.541
37 HE2 HIS 5 HE2 HIS 5 -1.809 3.547 -14.692
38 HB2 HIS 5 HB2 HIS 5 -0.189 6.963 -11.628
39 HB3 HIS 5 HB3 HIS 5 0.615 7.881 -12.875
40 H ALA 6 H ALA 6 2.227 8.802 -11.650
41 HA ALA 6 HA ALA 6 4.492 9.099 -13.521
42 HB1 ALA 6 HB3 ALA 6 2.596 10.692 -13.640
43 HB2 ALA 6 HB1 ALA 6 2.874 11.167 -11.945
44 HB3 ALA 6 HB2 ALA 6 4.097 11.519 -13.181
45 H HIS 7 H HIS 7 5.474 7.579 -11.850
46 HA HIS 7 HA HIS 7 6.350 8.213 -9.369
47 HD1 HIS 7 HD1 HIS 7 5.895 5.238 -12.549
48 HD2 HIS 7 HD2 HIS 7 9.576 7.309 -12.372
49 HE1 HIS 7 HE1 HIS 7 6.890 5.156 -14.897
50 HE2 HIS 7 HE2 HIS 7 9.162 6.356 -14.779
51 HB2 HIS 7 HB2 HIS 7 8.319 6.687 -9.992
52 HB3 HIS 7 HB3 HIS 7 6.723 6.034 -10.025
53 HA PRO 8 HA PRO 8 9.567 11.260 -9.581
54 HB2 PRO 8 HB2 PRO 8 11.237 10.441 -7.558
55 HB3 PRO 8 HB3 PRO 8 9.617 11.151 -7.276
56 HG2 PRO 8 HG2 PRO 8 10.467 8.238 -7.343
57 HG3 PRO 8 HG3 PRO 8 9.434 9.061 -6.127
58 HD2 PRO 8 HD2 PRO 8 8.395 7.612 -8.184
59 HD3 PRO 8 HD3 PRO 8 7.593 9.085 -7.591
60 H LYS 9 H LYS 9 11.859 11.611 -10.014
61 HA LYS 9 HA LYS 9 12.991 9.505 -11.755
62 HB2 LYS 9 HB2 LYS 9 12.914 12.536 -11.722
63 HB3 LYS 9 HB3 LYS 9 14.202 11.720 -12.543
64 HG2 LYS 9 HG2 LYS 9 12.478 12.285 -14.139
65 HG3 LYS 9 HG3 LYS 9 12.591 10.527 -14.003
66 HD2 LYS 9 HD2 LYS 9 10.586 10.460 -12.612
67 HD3 LYS 9 HD3 LYS 9 10.516 12.237 -12.559
68 HE2 LYS 9 HE2 LYS 9 10.144 12.232 -15.036
69 HE3 LYS 9 HE3 LYS 9 10.196 10.461 -15.018
70 HZ1 LYS 9 HZ3 LYS 9 8.296 10.558 -13.437
71 HZ2 LYS 9 HZ1 LYS 9 7.933 11.159 -14.928
72 HZ3 LYS 9 HZ2 LYS 9 8.198 12.173 -13.672
73 HA HYP 10 HA HYP 10 16.450 9.257 -9.061
74 HG HYP 10 HG HYP 10 17.632 9.153 -12.769
75 HB2 HYP 10 HB2 HYP 10 18.470 8.385 -10.662
76 HB3 HYP 10 HB3 HYP 10 16.995 7.442 -10.355
77 HD22 HYP 10 HD3 HYP 10 14.783 8.396 -12.265
78 HD23 HYP 10 HD2 HYP 10 15.482 9.893 -12.950
79 HD1 HYP 10 HOD HYP 10 17.799 6.922 -13.007
80 H ASN 11 H ASN 11 18.618 10.287 -11.622
81 HA ASN 11 HA ASN 11 19.692 12.395 -9.955
82 HB2 ASN 11 HB2 ASN 11 21.476 12.470 -11.490
83 HB3 ASN 11 HB3 ASN 11 21.085 10.774 -11.249
84 HD21 ASN 11 1HD2 ASN 11 22.230 12.658 -13.588
85 HD22 ASN 11 2HD2 ASN 11 21.396 12.023 -15.004
86 H SER 12 H SER 12 17.141 13.090 -10.557
87 HA SER 12 HA SER 12 16.695 14.609 -12.881
88 HG SER 12 HG SER 12 13.576 15.462 -11.417
89 HB2 SER 12 HB2 SER 12 15.025 13.701 -11.177
90 HB3 SER 12 HB3 SER 12 15.455 15.064 -10.137
91 H DPN 13 H DPN 13 18.123 15.443 -9.852
92 HA DPN 13 HA DPN 13 19.288 17.153 -8.975
93 HD1 DPN 13 HD1 DPN 13 18.191 18.593 -7.029
94 HD2 DPN 13 HD2 DPN 13 15.260 17.789 -10.093
95 HE1 DPN 13 HE1 DPN 13 16.533 17.981 -5.288
96 HE2 DPN 13 HE2 DPN 13 13.608 17.176 -8.349
97 HZ DPN 13 HZ DPN 13 14.236 17.277 -5.942
98 HB2 DPN 13 HB2 DPN 13 17.377 18.753 -10.692
99 HB3 DPN 13 HB3 DPN 13 18.447 19.418 -9.485
100 H TRP 14 H TRP 14 19.885 16.265 -11.947
101 HA TRP 14 HA TRP 14 22.220 18.048 -12.295
102 HD1 TRP 14 HD1 TRP 14 21.165 14.766 -10.356
103 HE1 TRP 14 HE1 TRP 14 22.801 14.265 -8.461
104 HE3 TRP 14 HE3 TRP 14 25.429 16.500 -12.546
105 HZ2 TRP 14 HZ2 TRP 14 25.650 14.578 -7.955
106 HZ3 TRP 14 HZ3 TRP 14 27.603 16.403 -11.337
107 HH2 TRP 14 HH2 TRP 14 27.720 15.442 -9.046
108 HB2 TRP 14 HB2 TRP 14 21.653 15.160 -13.097
109 HB3 TRP 14 HB3 TRP 14 23.133 16.047 -13.434
110 H THR 15 H THR 15 19.186 17.682 -13.605
111 HA THR 15 HA THR 15 19.765 17.671 -16.433
112 HB THR 15 HB THR 15 17.277 18.762 -15.058
113 HG1 THR 15 HG1 THR 15 17.407 16.775 -14.263
114 HG21 THR 15 3HG2 THR 15 16.154 17.987 -17.129
115 HG22 THR 15 1HG2 THR 15 17.720 17.463 -17.790
116 HG23 THR 15 2HG2 THR 15 17.403 19.186 -17.491
Start of MODEL 10
1 HA ASP 1 HA ASP 1 -0.082 -1.201 -0.565
2 H1 ASP 1 H1 ASP 1 -1.402 -3.606 -1.592
3 H2 ASP 1 H2 ASP 1 -2.072 -2.533 -0.555
4 H3 ASP 1 H3 ASP 1 -0.773 -3.425 -0.082
5 HB2 ASP 1 HB2 ASP 1 1.724 -1.656 -2.069
6 HB3 ASP 1 HB3 ASP 1 1.455 -3.123 -1.131
7 H TRP 2 H TRP 2 0.384 0.383 -2.364
8 HA TRP 2 HA TRP 2 -1.312 0.311 -4.733
9 HD1 TRP 2 HD1 TRP 2 -4.442 1.087 -4.896
10 HE1 TRP 2 HE1 TRP 2 -5.273 2.824 -6.571
11 HE3 TRP 2 HE3 TRP 2 -0.845 4.638 -4.182
12 HZ2 TRP 2 HZ2 TRP 2 -4.489 5.497 -7.463
13 HZ3 TRP 2 HZ3 TRP 2 -0.933 6.792 -5.428
14 HH2 TRP 2 HH2 TRP 2 -2.760 7.210 -7.075
15 HB2 TRP 2 HB2 TRP 2 -2.796 1.182 -2.868
16 HB3 TRP 2 HB3 TRP 2 -1.705 2.548 -2.718
17 H GLU 3 H GLU 3 0.196 0.806 -6.220
18 HA GLU 3 HA GLU 3 2.539 2.410 -5.519
19 HB2 GLU 3 HB2 GLU 3 2.667 0.204 -6.661
20 HB3 GLU 3 HB3 GLU 3 1.827 0.910 -8.033
21 HG2 GLU 3 HG2 GLU 3 4.268 0.758 -8.395
22 HG3 GLU 3 HG3 GLU 3 3.680 2.406 -8.505
23 H TYR 4 H TYR 4 3.198 4.238 -6.802
24 HA TYR 4 HA TYR 4 1.005 5.985 -7.617
25 HD1 TYR 4 HD1 TYR 4 1.274 7.522 -5.535
26 HD2 TYR 4 HD2 TYR 4 3.387 8.987 -8.992
27 HE1 TYR 4 HE1 TYR 4 0.211 9.740 -5.235
28 HE2 TYR 4 HE2 TYR 4 2.332 11.207 -8.711
29 HH TYR 4 HH TYR 4 0.014 11.914 -6.048
30 HB2 TYR 4 HB2 TYR 4 3.509 6.445 -6.575
31 HB3 TYR 4 HB3 TYR 4 3.720 6.780 -8.299
32 H HIS 5 H HIS 5 1.531 7.301 -9.659
33 HA HIS 5 HA HIS 5 1.700 5.415 -11.973
34 HD1 HIS 5 HD1 HIS 5 0.194 7.175 -15.030
35 HD2 HIS 5 HD2 HIS 5 -1.369 4.696 -11.983
36 HE1 HIS 5 HE1 HIS 5 -1.189 5.361 -16.200
37 HE2 HIS 5 HE2 HIS 5 -2.140 3.857 -14.346
38 HB2 HIS 5 HB2 HIS 5 -0.357 7.203 -11.290
39 HB3 HIS 5 HB3 HIS 5 0.513 8.058 -12.538
40 H ALA 6 H ALA 6 2.169 8.890 -11.277
41 HA ALA 6 HA ALA 6 4.439 9.037 -13.164
42 HB1 ALA 6 HB3 ALA 6 2.903 11.219 -11.665
43 HB2 ALA 6 HB1 ALA 6 4.146 11.478 -12.905
44 HB3 ALA 6 HB2 ALA 6 2.613 10.700 -13.346
45 H HIS 7 H HIS 7 5.365 7.531 -11.426
46 HA HIS 7 HA HIS 7 6.338 8.288 -9.000
47 HD1 HIS 7 HD1 HIS 7 5.622 5.127 -11.922
48 HD2 HIS 7 HD2 HIS 7 9.419 6.986 -12.032
49 HE1 HIS 7 HE1 HIS 7 6.508 4.835 -14.295
50 HE2 HIS 7 HE2 HIS 7 8.848 5.901 -14.349
51 HB2 HIS 7 HB2 HIS 7 8.224 6.643 -9.581
52 HB3 HIS 7 HB3 HIS 7 6.606 6.057 -9.489
53 HA PRO 8 HA PRO 8 9.601 11.218 -9.570
54 HB2 PRO 8 HB2 PRO 8 11.362 10.507 -7.581
55 HB3 PRO 8 HB3 PRO 8 9.770 11.267 -7.270
56 HG2 PRO 8 HG2 PRO 8 10.567 8.340 -7.169
57 HG3 PRO 8 HG3 PRO 8 9.609 9.269 -5.968
58 HD2 PRO 8 HD2 PRO 8 8.439 7.699 -7.859
59 HD3 PRO 8 HD3 PRO 8 7.699 9.234 -7.345
60 H LYS 9 H LYS 9 11.788 11.548 -10.196
61 HA LYS 9 HA LYS 9 13.065 9.305 -11.635
62 HB2 LYS 9 HB2 LYS 9 12.907 12.323 -11.894
63 HB3 LYS 9 HB3 LYS 9 14.244 11.456 -12.611
64 HG2 LYS 9 HG2 LYS 9 12.670 10.045 -13.914
65 HG3 LYS 9 HG3 LYS 9 11.301 10.920 -13.200
66 HD2 LYS 9 HD2 LYS 9 12.146 13.040 -14.174
67 HD3 LYS 9 HD3 LYS 9 13.493 12.178 -14.925
68 HE2 LYS 9 HE2 LYS 9 10.535 11.626 -15.469
69 HE3 LYS 9 HE3 LYS 9 11.553 12.677 -16.458
70 HZ1 LYS 9 HZ3 LYS 9 11.989 9.778 -16.066
71 HZ2 LYS 9 HZ1 LYS 9 12.951 10.767 -16.956
72 HZ3 LYS 9 HZ2 LYS 9 11.408 10.493 -17.412
73 HA HYP 10 HA HYP 10 16.423 9.534 -8.777
74 HG HYP 10 HG HYP 10 17.781 9.133 -12.378
75 HB2 HYP 10 HB2 HYP 10 18.557 8.606 -10.182
76 HB3 HYP 10 HB3 HYP 10 17.117 7.621 -9.841
77 HD22 HYP 10 HD3 HYP 10 14.957 8.237 -11.942
78 HD23 HYP 10 HD2 HYP 10 15.606 9.695 -12.748
79 HD1 HYP 10 HOD HYP 10 16.584 6.599 -11.842
80 H ASN 11 H ASN 11 18.728 10.385 -11.265
81 HA ASN 11 HA ASN 11 19.592 12.662 -9.733
82 HB2 ASN 11 HB2 ASN 11 21.500 12.647 -11.135
83 HB3 ASN 11 HB3 ASN 11 21.110 10.978 -10.751
84 HD21 ASN 11 1HD2 ASN 11 22.040 13.009 -13.272
85 HD22 ASN 11 2HD2 ASN 11 21.470 12.046 -14.632
86 H SER 12 H SER 12 17.061 13.196 -10.738
87 HA SER 12 HA SER 12 16.997 14.568 -13.202
88 HG SER 12 HG SER 12 14.568 14.986 -13.591
89 HB2 SER 12 HB2 SER 12 15.066 13.598 -11.853
90 HB3 SER 12 HB3 SER 12 15.181 15.003 -10.791
91 H DPN 13 H DPN 13 17.941 15.604 -10.057
92 HA DPN 13 HA DPN 13 18.903 17.425 -9.163
93 HD1 DPN 13 HD1 DPN 13 15.176 17.190 -9.794
94 HD2 DPN 13 HD2 DPN 13 17.754 19.851 -7.582
95 HE1 DPN 13 HE1 DPN 13 13.771 16.878 -7.773
96 HE2 DPN 13 HE2 DPN 13 16.333 19.553 -5.572
97 HZ DPN 13 HZ DPN 13 14.341 18.064 -5.660
98 HB2 DPN 13 HB2 DPN 13 16.839 18.742 -10.949
99 HB3 DPN 13 HB3 DPN 13 17.967 19.647 -9.992
100 H TRP 14 H TRP 14 19.833 16.427 -11.998
101 HA TRP 14 HA TRP 14 22.070 18.324 -12.173
102 HD1 TRP 14 HD1 TRP 14 21.054 15.246 -10.306
103 HE1 TRP 14 HE1 TRP 14 22.697 14.549 -8.484
104 HE3 TRP 14 HE3 TRP 14 25.385 16.388 -12.715
105 HZ2 TRP 14 HZ2 TRP 14 25.588 14.478 -8.120
106 HZ3 TRP 14 HZ3 TRP 14 27.593 16.008 -11.617
107 HH2 TRP 14 HH2 TRP 14 27.697 15.051 -9.322
108 HB2 TRP 14 HB2 TRP 14 21.613 15.482 -13.179
109 HB3 TRP 14 HB3 TRP 14 23.081 16.418 -13.432
110 H THR 15 H THR 15 19.188 17.694 -13.799
111 HA THR 15 HA THR 15 20.159 18.277 -16.509
112 HB THR 15 HB THR 15 17.305 17.972 -15.492
113 HG1 THR 15 HG1 THR 15 17.516 15.823 -16.106
114 HG21 THR 15 3HG2 THR 15 17.469 19.017 -17.729
115 HG22 THR 15 1HG2 THR 15 16.830 17.373 -17.860
116 HG23 THR 15 2HG2 THR 15 18.526 17.702 -18.284
Start of MODEL 11
1 HA ASP 1 HA ASP 1 -2.093 1.805 0.010
2 H1 ASP 1 H1 ASP 1 -0.579 3.553 -0.538
3 H2 ASP 1 H2 ASP 1 -2.096 4.163 -0.401
4 H3 ASP 1 H3 ASP 1 -1.421 3.940 -1.884
5 HB2 ASP 1 HB2 ASP 1 -4.114 2.778 -0.920
6 HB3 ASP 1 HB3 ASP 1 -3.503 2.541 -2.561
7 H TRP 2 H TRP 2 -2.097 1.482 -3.434
8 HA TRP 2 HA TRP 2 0.217 -0.345 -3.414
9 HD1 TRP 2 HD1 TRP 2 -3.597 1.191 -5.061
10 HE1 TRP 2 HE1 TRP 2 -4.111 2.518 -7.178
11 HE3 TRP 2 HE3 TRP 2 0.544 -0.045 -7.779
12 HZ2 TRP 2 HZ2 TRP 2 -2.832 3.025 -9.763
13 HZ3 TRP 2 HZ3 TRP 2 0.917 0.932 -10.032
14 HH2 TRP 2 HH2 TRP 2 -0.799 2.449 -11.034
15 HB2 TRP 2 HB2 TRP 2 -0.402 -0.903 -5.614
16 HB3 TRP 2 HB3 TRP 2 -1.845 -0.913 -4.640
17 H GLU 3 H GLU 3 1.362 0.227 -5.810
18 HA GLU 3 HA GLU 3 3.253 2.246 -5.172
19 HB2 GLU 3 HB2 GLU 3 3.576 0.152 -6.532
20 HB3 GLU 3 HB3 GLU 3 2.769 0.983 -7.862
21 HG2 GLU 3 HG2 GLU 3 4.554 2.652 -7.960
22 HG3 GLU 3 HG3 GLU 3 5.281 2.010 -6.482
23 H TYR 4 H TYR 4 3.782 4.157 -6.579
24 HA TYR 4 HA TYR 4 1.377 5.764 -7.068
25 HD1 TYR 4 HD1 TYR 4 1.279 7.253 -5.206
26 HD2 TYR 4 HD2 TYR 4 3.720 9.088 -8.252
27 HE1 TYR 4 HE1 TYR 4 0.084 9.397 -4.870
28 HE2 TYR 4 HE2 TYR 4 2.531 11.229 -7.933
29 HH TYR 4 HH TYR 4 0.867 12.361 -6.760
30 HB2 TYR 4 HB2 TYR 4 3.831 6.445 -6.081
31 HB3 TYR 4 HB3 TYR 4 3.992 6.830 -7.804
32 H HIS 5 H HIS 5 1.699 7.275 -9.029
33 HA HIS 5 HA HIS 5 1.773 5.556 -11.470
34 HD1 HIS 5 HD1 HIS 5 0.226 7.165 -14.309
35 HD2 HIS 5 HD2 HIS 5 -1.583 5.002 -11.161
36 HE1 HIS 5 HE1 HIS 5 -1.343 5.457 -15.403
37 HE2 HIS 5 HE2 HIS 5 -2.445 4.146 -13.489
38 HB2 HIS 5 HB2 HIS 5 -0.255 7.255 -10.501
39 HB3 HIS 5 HB3 HIS 5 0.481 8.180 -11.788
40 H ALA 6 H ALA 6 2.229 8.990 -10.527
41 HA ALA 6 HA ALA 6 4.344 9.341 -12.557
42 HB1 ALA 6 HB3 ALA 6 2.510 11.010 -12.384
43 HB2 ALA 6 HB1 ALA 6 2.972 11.344 -10.694
44 HB3 ALA 6 HB2 ALA 6 4.086 11.738 -12.018
45 H HIS 7 H HIS 7 5.359 7.626 -10.986
46 HA HIS 7 HA HIS 7 6.598 8.324 -8.635
47 HD1 HIS 7 HD1 HIS 7 8.164 7.324 -12.466
48 HD2 HIS 7 HD2 HIS 7 5.737 4.352 -10.688
49 HE1 HIS 7 HE1 HIS 7 7.200 5.922 -14.379
50 HE2 HIS 7 HE2 HIS 7 5.771 4.082 -13.294
51 HB2 HIS 7 HB2 HIS 7 8.334 6.559 -9.490
52 HB3 HIS 7 HB3 HIS 7 6.731 6.107 -9.005
53 HA PRO 8 HA PRO 8 9.773 11.165 -9.609
54 HB2 PRO 8 HB2 PRO 8 11.722 10.552 -7.779
55 HB3 PRO 8 HB3 PRO 8 10.133 11.246 -7.329
56 HG2 PRO 8 HG2 PRO 8 11.058 8.355 -7.285
57 HG3 PRO 8 HG3 PRO 8 10.184 9.258 -6.002
58 HD2 PRO 8 HD2 PRO 8 8.904 7.629 -7.773
59 HD3 PRO 8 HD3 PRO 8 8.153 9.133 -7.184
60 H LYS 9 H LYS 9 11.819 11.571 -10.452
61 HA LYS 9 HA LYS 9 13.039 9.453 -12.078
62 HB2 LYS 9 HB2 LYS 9 13.052 12.473 -11.891
63 HB3 LYS 9 HB3 LYS 9 14.350 11.664 -12.748
64 HG2 LYS 9 HG2 LYS 9 12.698 10.550 -14.234
65 HG3 LYS 9 HG3 LYS 9 11.381 11.366 -13.367
66 HD2 LYS 9 HD2 LYS 9 12.299 13.579 -14.056
67 HD3 LYS 9 HD3 LYS 9 13.644 12.767 -14.861
68 HE2 LYS 9 HE2 LYS 9 12.067 13.377 -16.554
69 HE3 LYS 9 HE3 LYS 9 12.038 11.619 -16.391
70 HZ1 LYS 9 HZ3 LYS 9 9.998 11.845 -15.101
71 HZ2 LYS 9 HZ1 LYS 9 9.823 12.560 -16.557
72 HZ3 LYS 9 HZ2 LYS 9 10.046 13.480 -15.227
73 HA HYP 10 HA HYP 10 16.415 8.988 -9.288
74 HG HYP 10 HG HYP 10 17.735 9.153 -12.931
75 HB2 HYP 10 HB2 HYP 10 18.510 8.247 -10.869
76 HB3 HYP 10 HB3 HYP 10 17.040 7.270 -10.670
77 HD22 HYP 10 HD3 HYP 10 14.872 8.336 -12.594
78 HD23 HYP 10 HD2 HYP 10 15.589 9.872 -13.163
79 HD1 HYP 10 HOD HYP 10 16.413 6.628 -12.800
80 H ASN 11 H ASN 11 18.684 10.208 -11.677
81 HA ASN 11 HA ASN 11 19.639 12.223 -9.825
82 HB2 ASN 11 HB2 ASN 11 21.504 12.419 -11.225
83 HB3 ASN 11 HB3 ASN 11 21.135 10.709 -11.110
84 HD21 ASN 11 1HD2 ASN 11 22.292 12.876 -13.254
85 HD22 ASN 11 2HD2 ASN 11 21.646 12.221 -14.756
86 H SER 12 H SER 12 17.145 12.957 -10.411
87 HA SER 12 HA SER 12 16.717 14.434 -12.764
88 HG SER 12 HG SER 12 14.533 16.085 -11.916
89 HB2 SER 12 HB2 SER 12 15.071 13.419 -11.062
90 HB3 SER 12 HB3 SER 12 15.332 14.863 -10.091
91 H DPN 13 H DPN 13 18.179 15.328 -9.779
92 HA DPN 13 HA DPN 13 19.323 17.097 -8.984
93 HD1 DPN 13 HD1 DPN 13 18.447 18.751 -6.929
94 HD2 DPN 13 HD2 DPN 13 15.219 17.347 -9.425
95 HE1 DPN 13 HE1 DPN 13 17.124 18.187 -4.907
96 HE2 DPN 13 HE2 DPN 13 13.904 16.779 -7.400
97 HZ DPN 13 HZ DPN 13 14.851 17.199 -5.137
98 HB2 DPN 13 HB2 DPN 13 17.087 18.571 -10.403
99 HB3 DPN 13 HB3 DPN 13 18.292 19.328 -9.402
100 H TRP 14 H TRP 14 19.676 16.277 -12.011
101 HA TRP 14 HA TRP 14 21.899 18.125 -12.497
102 HD1 TRP 14 HD1 TRP 14 21.288 15.018 -10.708
103 HE1 TRP 14 HE1 TRP 14 23.325 14.174 -9.428
104 HE3 TRP 14 HE3 TRP 14 24.865 16.199 -14.120
105 HZ2 TRP 14 HZ2 TRP 14 26.205 14.019 -9.847
106 HZ3 TRP 14 HZ3 TRP 14 27.272 15.714 -13.666
107 HH2 TRP 14 HH2 TRP 14 27.943 14.623 -11.532
108 HB2 TRP 14 HB2 TRP 14 21.080 15.421 -13.632
109 HB3 TRP 14 HB3 TRP 14 22.470 16.349 -14.186
110 H THR 15 H THR 15 18.685 18.249 -13.348
111 HA THR 15 HA THR 15 19.366 19.871 -15.703
112 HB THR 15 HB THR 15 18.834 17.571 -16.491
113 HG1 THR 15 HG1 THR 15 17.651 18.291 -18.186
114 HG21 THR 15 3HG2 THR 15 16.505 16.800 -16.601
115 HG22 THR 15 1HG2 THR 15 15.991 18.145 -15.559
116 HG23 THR 15 2HG2 THR 15 17.077 16.885 -14.933
Start of MODEL 12
1 HA ASP 1 HA ASP 1 0.420 -0.680 -0.595
2 H1 ASP 1 H1 ASP 1 1.962 -2.550 -2.241
3 H2 ASP 1 H2 ASP 1 0.496 -2.818 -1.570
4 H3 ASP 1 H3 ASP 1 1.823 -2.651 -0.602
5 HB2 ASP 1 HB2 ASP 1 3.231 -0.388 -1.722
6 HB3 ASP 1 HB3 ASP 1 2.251 0.963 -1.143
7 H TRP 2 H TRP 2 -0.254 1.250 -1.799
8 HA TRP 2 HA TRP 2 -1.135 0.636 -4.510
9 HD1 TRP 2 HD1 TRP 2 -4.227 1.348 -4.644
10 HE1 TRP 2 HE1 TRP 2 -5.173 2.704 -6.588
11 HE3 TRP 2 HE3 TRP 2 -0.664 4.991 -4.853
12 HZ2 TRP 2 HZ2 TRP 2 -4.481 5.145 -8.045
13 HZ3 TRP 2 HZ3 TRP 2 -0.851 6.851 -6.505
14 HH2 TRP 2 HH2 TRP 2 -2.765 6.912 -8.104
15 HB2 TRP 2 HB2 TRP 2 -2.471 1.870 -2.761
16 HB3 TRP 2 HB3 TRP 2 -1.380 3.233 -2.972
17 H GLU 3 H GLU 3 0.327 0.691 -6.091
18 HA GLU 3 HA GLU 3 2.742 2.272 -5.960
19 HB2 GLU 3 HB2 GLU 3 2.648 -0.002 -6.912
20 HB3 GLU 3 HB3 GLU 3 1.593 0.601 -8.188
21 HG2 GLU 3 HG2 GLU 3 3.906 0.351 -8.972
22 HG3 GLU 3 HG3 GLU 3 3.383 2.022 -9.069
23 H TYR 4 H TYR 4 3.300 4.032 -7.307
24 HA TYR 4 HA TYR 4 1.068 5.809 -7.914
25 HD1 TYR 4 HD1 TYR 4 1.513 7.200 -5.734
26 HD2 TYR 4 HD2 TYR 4 3.324 8.886 -9.263
27 HE1 TYR 4 HE1 TYR 4 0.501 9.400 -5.198
28 HE2 TYR 4 HE2 TYR 4 2.318 11.083 -8.748
29 HH TYR 4 HH TYR 4 0.983 12.301 -7.278
30 HB2 TYR 4 HB2 TYR 4 3.646 6.202 -7.020
31 HB3 TYR 4 HB3 TYR 4 3.732 6.641 -8.728
32 H HIS 5 H HIS 5 1.469 7.203 -9.926
33 HA HIS 5 HA HIS 5 1.528 5.426 -12.331
34 HD1 HIS 5 HD1 HIS 5 -0.164 7.325 -15.212
35 HD2 HIS 5 HD2 HIS 5 -1.527 4.646 -12.239
36 HE1 HIS 5 HE1 HIS 5 -1.575 5.553 -16.415
37 HE2 HIS 5 HE2 HIS 5 -2.403 3.927 -14.605
38 HB2 HIS 5 HB2 HIS 5 -0.526 7.128 -11.455
39 HB3 HIS 5 HB3 HIS 5 0.260 8.073 -12.694
40 H ALA 6 H ALA 6 1.958 8.877 -11.514
41 HA ALA 6 HA ALA 6 4.141 9.182 -13.475
42 HB1 ALA 6 HB3 ALA 6 2.307 10.850 -13.415
43 HB2 ALA 6 HB1 ALA 6 2.689 11.223 -11.714
44 HB3 ALA 6 HB2 ALA 6 3.863 11.593 -12.993
45 H HIS 7 H HIS 7 5.144 7.546 -11.941
46 HA HIS 7 HA HIS 7 6.160 7.992 -9.478
47 HD1 HIS 7 HD1 HIS 7 5.466 5.248 -12.813
48 HD2 HIS 7 HD2 HIS 7 9.219 7.192 -12.687
49 HE1 HIS 7 HE1 HIS 7 6.354 5.274 -15.206
50 HE2 HIS 7 HE2 HIS 7 8.664 6.401 -15.125
51 HB2 HIS 7 HB2 HIS 7 8.053 6.459 -10.293
52 HB3 HIS 7 HB3 HIS 7 6.438 5.854 -10.289
53 HA PRO 8 HA PRO 8 9.394 10.991 -9.591
54 HB2 PRO 8 HB2 PRO 8 11.153 9.999 -7.723
55 HB3 PRO 8 HB3 PRO 8 9.554 10.695 -7.311
56 HG2 PRO 8 HG2 PRO 8 10.366 7.790 -7.652
57 HG3 PRO 8 HG3 PRO 8 9.400 8.523 -6.327
58 HD2 PRO 8 HD2 PRO 8 8.242 7.258 -8.435
59 HD3 PRO 8 HD3 PRO 8 7.495 8.696 -7.703
60 H LYS 9 H LYS 9 11.658 11.389 -10.100
61 HA LYS 9 HA LYS 9 12.705 9.466 -12.088
62 HB2 LYS 9 HB2 LYS 9 12.652 12.480 -11.725
63 HB3 LYS 9 HB3 LYS 9 13.901 11.758 -12.680
64 HG2 LYS 9 HG2 LYS 9 12.105 12.487 -14.129
65 HG3 LYS 9 HG3 LYS 9 12.246 10.727 -14.198
66 HD2 LYS 9 HD2 LYS 9 10.301 10.471 -12.739
67 HD3 LYS 9 HD3 LYS 9 10.203 12.231 -12.500
68 HE2 LYS 9 HE2 LYS 9 9.733 12.471 -14.949
69 HE3 LYS 9 HE3 LYS 9 9.824 10.709 -15.116
70 HZ1 LYS 9 HZ3 LYS 9 7.841 12.220 -13.530
71 HZ2 LYS 9 HZ1 LYS 9 7.984 10.593 -13.470
72 HZ3 LYS 9 HZ2 LYS 9 7.552 11.336 -14.875
73 HA HYP 10 HA HYP 10 16.308 8.904 -9.647
74 HG HYP 10 HG HYP 10 17.348 9.460 -13.300
75 HB2 HYP 10 HB2 HYP 10 18.258 8.276 -11.421
76 HB3 HYP 10 HB3 HYP 10 16.775 7.309 -11.238
77 HD22 HYP 10 HD3 HYP 10 14.539 8.482 -12.869
78 HD23 HYP 10 HD2 HYP 10 15.151 10.090 -13.358
79 HD1 HYP 10 HOD HYP 10 16.120 6.887 -13.421
80 H ASN 11 H ASN 11 18.639 10.195 -11.858
81 HA ASN 11 HA ASN 11 19.505 12.026 -9.813
82 HB2 ASN 11 HB2 ASN 11 20.962 10.457 -11.162
83 HB3 ASN 11 HB3 ASN 11 20.715 11.514 -12.555
84 HD21 ASN 11 1HD2 ASN 11 22.697 12.574 -12.813
85 HD22 ASN 11 2HD2 ASN 11 23.538 13.417 -11.515
86 H SER 12 H SER 12 17.092 12.973 -10.676
87 HA SER 12 HA SER 12 17.081 14.577 -12.977
88 HG SER 12 HG SER 12 14.654 14.981 -13.318
89 HB2 SER 12 HB2 SER 12 15.155 13.511 -11.650
90 HB3 SER 12 HB3 SER 12 15.290 14.866 -10.526
91 H DPN 13 H DPN 13 18.242 15.281 -9.837
92 HA DPN 13 HA DPN 13 19.352 16.994 -8.881
93 HD1 DPN 13 HD1 DPN 13 18.272 18.399 -6.704
94 HD2 DPN 13 HD2 DPN 13 15.253 17.277 -9.577
95 HE1 DPN 13 HE1 DPN 13 16.786 17.657 -4.859
96 HE2 DPN 13 HE2 DPN 13 13.774 16.534 -7.729
97 HZ DPN 13 HZ DPN 13 14.536 16.722 -5.367
98 HB2 DPN 13 HB2 DPN 13 17.184 18.581 -10.272
99 HB3 DPN 13 HB3 DPN 13 18.324 19.217 -9.115
100 H TRP 14 H TRP 14 19.946 16.276 -11.766
101 HA TRP 14 HA TRP 14 21.910 18.420 -12.322
102 HD1 TRP 14 HD1 TRP 14 21.625 15.322 -10.005
103 HE1 TRP 14 HE1 TRP 14 23.454 15.358 -8.226
104 HE3 TRP 14 HE3 TRP 14 25.324 17.451 -12.770
105 HZ2 TRP 14 HZ2 TRP 14 26.235 16.224 -8.028
106 HZ3 TRP 14 HZ3 TRP 14 27.571 17.888 -11.775
107 HH2 TRP 14 HH2 TRP 14 28.029 17.272 -9.408
108 HB2 TRP 14 HB2 TRP 14 21.852 15.411 -12.808
109 HB3 TRP 14 HB3 TRP 14 23.119 16.492 -13.382
110 H THR 15 H THR 15 18.966 17.427 -13.517
111 HA THR 15 HA THR 15 19.628 18.302 -16.277
112 HB THR 15 HB THR 15 17.874 16.566 -17.024
113 HG1 THR 15 HG1 THR 15 17.648 14.773 -15.737
114 HG21 THR 15 3HG2 THR 15 19.568 14.835 -17.297
115 HG22 THR 15 1HG2 THR 15 20.569 15.553 -16.017
116 HG23 THR 15 2HG2 THR 15 20.293 16.429 -17.538
Start of MODEL 13
1 HA ASP 1 HA ASP 1 -2.469 1.787 -0.396
2 H1 ASP 1 H1 ASP 1 -4.088 0.097 -0.166
3 H2 ASP 1 H2 ASP 1 -3.293 0.242 1.275
4 H3 ASP 1 H3 ASP 1 -2.977 -1.021 0.265
5 HB2 ASP 1 HB2 ASP 1 -0.534 -0.335 0.613
6 HB3 ASP 1 HB3 ASP 1 -0.038 1.174 -0.162
7 H TRP 2 H TRP 2 -1.118 2.029 -2.338
8 HA TRP 2 HA TRP 2 -0.642 -0.230 -4.063
9 HD1 TRP 2 HD1 TRP 2 -2.853 -1.998 -5.110
10 HE1 TRP 2 HE1 TRP 2 -2.504 -3.065 -7.404
11 HE3 TRP 2 HE3 TRP 2 -1.403 2.147 -7.672
12 HZ2 TRP 2 HZ2 TRP 2 -1.578 -2.209 -10.054
13 HZ3 TRP 2 HZ3 TRP 2 -0.688 2.004 -10.046
14 HH2 TRP 2 HH2 TRP 2 -0.802 -0.195 -11.244
15 HB2 TRP 2 HB2 TRP 2 -3.174 0.565 -4.347
16 HB3 TRP 2 HB3 TRP 2 -2.435 1.819 -5.327
17 H GLU 3 H GLU 3 0.271 0.661 -6.215
18 HA GLU 3 HA GLU 3 2.532 2.264 -5.510
19 HB2 GLU 3 HB2 GLU 3 2.522 0.289 -7.011
20 HB3 GLU 3 HB3 GLU 3 1.619 1.231 -8.188
21 HG2 GLU 3 HG2 GLU 3 4.028 1.020 -8.721
22 HG3 GLU 3 HG3 GLU 3 3.515 2.688 -8.580
23 H TYR 4 H TYR 4 3.261 4.163 -6.845
24 HA TYR 4 HA TYR 4 1.113 6.170 -7.175
25 HD1 TYR 4 HD1 TYR 4 1.255 7.680 -5.342
26 HD2 TYR 4 HD2 TYR 4 3.981 9.042 -8.390
27 HE1 TYR 4 HE1 TYR 4 0.441 9.999 -5.031
28 HE2 TYR 4 HE2 TYR 4 3.174 11.360 -8.097
29 HH TYR 4 HH TYR 4 1.720 12.769 -6.943
30 HB2 TYR 4 HB2 TYR 4 3.620 6.437 -6.197
31 HB3 TYR 4 HB3 TYR 4 3.877 6.774 -7.917
32 H HIS 5 H HIS 5 1.729 7.659 -9.134
33 HA HIS 5 HA HIS 5 1.573 5.990 -11.613
34 HD1 HIS 5 HD1 HIS 5 -0.141 8.086 -14.340
35 HD2 HIS 5 HD2 HIS 5 -1.501 5.314 -11.454
36 HE1 HIS 5 HE1 HIS 5 -1.650 6.423 -15.577
37 HE2 HIS 5 HE2 HIS 5 -2.478 4.741 -13.820
38 HB2 HIS 5 HB2 HIS 5 -0.386 7.720 -10.585
39 HB3 HIS 5 HB3 HIS 5 0.394 8.695 -11.799
40 H ALA 6 H ALA 6 2.171 9.371 -10.621
41 HA ALA 6 HA ALA 6 4.245 9.688 -12.705
42 HB1 ALA 6 HB3 ALA 6 4.036 12.093 -12.167
43 HB2 ALA 6 HB1 ALA 6 2.449 11.385 -12.524
44 HB3 ALA 6 HB2 ALA 6 2.920 11.721 -10.839
45 H HIS 7 H HIS 7 5.300 7.995 -11.244
46 HA HIS 7 HA HIS 7 6.478 8.440 -8.840
47 HD1 HIS 7 HD1 HIS 7 5.475 5.660 -12.059
48 HD2 HIS 7 HD2 HIS 7 9.277 7.501 -12.240
49 HE1 HIS 7 HE1 HIS 7 6.170 5.658 -14.513
50 HE2 HIS 7 HE2 HIS 7 8.512 6.714 -14.619
51 HB2 HIS 7 HB2 HIS 7 8.271 6.847 -9.756
52 HB3 HIS 7 HB3 HIS 7 6.650 6.279 -9.617
53 HA PRO 8 HA PRO 8 9.796 11.338 -9.308
54 HB2 PRO 8 HB2 PRO 8 11.658 10.346 -7.546
55 HB3 PRO 8 HB3 PRO 8 10.124 11.117 -7.035
56 HG2 PRO 8 HG2 PRO 8 10.812 8.174 -7.320
57 HG3 PRO 8 HG3 PRO 8 9.972 8.987 -5.957
58 HD2 PRO 8 HD2 PRO 8 8.624 7.678 -7.932
59 HD3 PRO 8 HD3 PRO 8 7.973 9.156 -7.187
60 H LYS 9 H LYS 9 11.938 11.658 -10.063
61 HA LYS 9 HA LYS 9 12.982 9.557 -11.854
62 HB2 LYS 9 HB2 LYS 9 12.991 12.585 -11.718
63 HB3 LYS 9 HB3 LYS 9 14.200 11.746 -12.663
64 HG2 LYS 9 HG2 LYS 9 12.415 10.608 -13.974
65 HG3 LYS 9 HG3 LYS 9 11.183 11.456 -13.019
66 HD2 LYS 9 HD2 LYS 9 12.058 13.637 -13.827
67 HD3 LYS 9 HD3 LYS 9 13.284 12.783 -14.794
68 HE2 LYS 9 HE2 LYS 9 11.477 11.617 -16.046
69 HE3 LYS 9 HE3 LYS 9 10.258 12.465 -15.084
70 HZ1 LYS 9 HZ3 LYS 9 12.195 13.761 -16.906
71 HZ2 LYS 9 HZ1 LYS 9 11.068 14.548 -16.013
72 HZ3 LYS 9 HZ2 LYS 9 10.606 13.534 -17.207
73 HA HYP 10 HA HYP 10 16.520 9.221 -9.245
74 HG HYP 10 HG HYP 10 17.597 9.162 -12.976
75 HB2 HYP 10 HB2 HYP 10 18.494 8.369 -10.919
76 HB3 HYP 10 HB3 HYP 10 17.032 7.420 -10.571
77 HD22 HYP 10 HD3 HYP 10 14.751 8.422 -12.423
78 HD23 HYP 10 HD2 HYP 10 15.456 9.921 -13.096
79 HD1 HYP 10 HOD HYP 10 16.251 6.673 -12.609
80 H ASN 11 H ASN 11 18.601 10.283 -11.867
81 HA ASN 11 HA ASN 11 19.760 12.338 -10.195
82 HB2 ASN 11 HB2 ASN 11 21.493 12.418 -11.774
83 HB3 ASN 11 HB3 ASN 11 21.076 10.725 -11.575
84 HD21 ASN 11 1HD2 ASN 11 22.277 12.536 -13.873
85 HD22 ASN 11 2HD2 ASN 11 21.386 11.989 -15.290
86 H SER 12 H SER 12 17.198 13.082 -10.691
87 HA SER 12 HA SER 12 16.710 14.658 -12.972
88 HG SER 12 HG SER 12 13.618 15.468 -11.422
89 HB2 SER 12 HB2 SER 12 15.082 13.691 -11.251
90 HB3 SER 12 HB3 SER 12 15.514 15.043 -10.201
91 H DPN 13 H DPN 13 18.255 15.393 -9.977
92 HA DPN 13 HA DPN 13 19.470 17.073 -9.109
93 HD1 DPN 13 HD1 DPN 13 15.437 17.533 -9.761
94 HD2 DPN 13 HD2 DPN 13 18.576 18.730 -7.054
95 HE1 DPN 13 HE1 DPN 13 14.006 16.925 -7.829
96 HE2 DPN 13 HE2 DPN 13 17.136 18.133 -5.124
97 HZ DPN 13 HZ DPN 13 14.847 17.231 -5.505
98 HB2 DPN 13 HB2 DPN 13 17.402 18.713 -10.597
99 HB3 DPN 13 HB3 DPN 13 18.600 19.366 -9.513
100 H TRP 14 H TRP 14 19.914 16.273 -12.116
101 HA TRP 14 HA TRP 14 22.243 18.039 -12.513
102 HD1 TRP 14 HD1 TRP 14 21.284 14.810 -10.733
103 HE1 TRP 14 HE1 TRP 14 23.115 13.990 -9.158
104 HE3 TRP 14 HE3 TRP 14 25.331 16.162 -13.506
105 HZ2 TRP 14 HZ2 TRP 14 26.027 13.915 -9.116
106 HZ3 TRP 14 HZ3 TRP 14 27.642 15.719 -12.683
107 HH2 TRP 14 HH2 TRP 14 27.994 14.594 -10.492
108 HB2 TRP 14 HB2 TRP 14 21.467 15.288 -13.578
109 HB3 TRP 14 HB3 TRP 14 22.938 16.160 -13.989
110 H THR 15 H THR 15 19.096 18.093 -13.538
111 HA THR 15 HA THR 15 19.712 19.492 -16.007
112 HB THR 15 HB THR 15 19.748 17.076 -16.597
113 HG1 THR 15 HG1 THR 15 19.265 18.435 -18.224
114 HG21 THR 15 3HG2 THR 15 17.686 15.767 -16.759
115 HG22 THR 15 1HG2 THR 15 16.798 17.025 -15.874
116 HG23 THR 15 2HG2 THR 15 18.110 16.127 -15.083
Start of MODEL 14
1 HA ASP 1 HA ASP 1 -1.285 0.027 -1.765
2 H1 ASP 1 H1 ASP 1 -3.536 0.490 -3.583
3 H2 ASP 1 H2 ASP 1 -3.467 0.872 -1.995
4 H3 ASP 1 H3 ASP 1 -3.484 -0.713 -2.458
5 HB2 ASP 1 HB2 ASP 1 -1.619 -0.822 -4.668
6 HB3 ASP 1 HB3 ASP 1 -0.068 -0.763 -3.824
7 H TRP 2 H TRP 2 0.625 1.296 -2.339
8 HA TRP 2 HA TRP 2 -0.134 3.992 -3.129
9 HD1 TRP 2 HD1 TRP 2 1.953 1.170 -0.457
10 HE1 TRP 2 HE1 TRP 2 4.217 0.013 -0.664
11 HE3 TRP 2 HE3 TRP 2 4.229 4.486 -3.587
12 HZ2 TRP 2 HZ2 TRP 2 6.738 0.457 -2.091
13 HZ3 TRP 2 HZ3 TRP 2 6.553 4.091 -4.388
14 HH2 TRP 2 HH2 TRP 2 7.806 2.065 -3.623
15 HB2 TRP 2 HB2 TRP 2 2.057 4.585 -2.181
16 HB3 TRP 2 HB3 TRP 2 1.091 3.644 -1.067
17 H GLU 3 H GLU 3 -0.129 2.111 -5.220
18 HA GLU 3 HA GLU 3 2.249 2.474 -6.870
19 HB2 GLU 3 HB2 GLU 3 0.831 0.407 -6.884
20 HB3 GLU 3 HB3 GLU 3 -0.451 1.365 -7.616
21 HG2 GLU 3 HG2 GLU 3 0.667 0.163 -9.370
22 HG3 GLU 3 HG3 GLU 3 1.059 1.866 -9.559
23 H TYR 4 H TYR 4 2.594 4.174 -8.221
24 HA TYR 4 HA TYR 4 0.368 6.087 -8.756
25 HD1 TYR 4 HD1 TYR 4 0.262 7.526 -6.775
26 HD2 TYR 4 HD2 TYR 4 2.921 9.224 -9.712
27 HE1 TYR 4 HE1 TYR 4 -0.845 9.727 -6.501
28 HE2 TYR 4 HE2 TYR 4 1.822 11.422 -9.458
29 HH TYR 4 HH TYR 4 0.159 12.637 -8.369
30 HB2 TYR 4 HB2 TYR 4 2.766 6.573 -7.504
31 HB3 TYR 4 HB3 TYR 4 3.115 6.958 -9.191
32 H HIS 5 H HIS 5 1.076 7.469 -10.740
33 HA HIS 5 HA HIS 5 1.515 5.626 -13.055
34 HD1 HIS 5 HD1 HIS 5 0.226 7.393 -16.212
35 HD2 HIS 5 HD2 HIS 5 -1.506 4.779 -13.376
36 HE1 HIS 5 HE1 HIS 5 -0.961 5.550 -17.543
37 HE2 HIS 5 HE2 HIS 5 -2.014 3.965 -15.816
38 HB2 HIS 5 HB2 HIS 5 -0.674 7.314 -12.543
39 HB3 HIS 5 HB3 HIS 5 0.275 8.229 -13.686
40 H ALA 6 H ALA 6 1.763 9.103 -12.225
41 HA ALA 6 HA ALA 6 4.217 9.407 -13.831
42 HB1 ALA 6 HB3 ALA 6 2.542 11.451 -12.290
43 HB2 ALA 6 HB1 ALA 6 3.876 11.815 -13.401
44 HB3 ALA 6 HB2 ALA 6 2.388 11.077 -14.027
45 H HIS 7 H HIS 7 4.925 7.731 -12.066
46 HA HIS 7 HA HIS 7 5.700 8.433 -9.534
47 HD1 HIS 7 HD1 HIS 7 7.995 7.538 -12.985
48 HD2 HIS 7 HD2 HIS 7 5.389 4.436 -11.775
49 HE1 HIS 7 HE1 HIS 7 7.515 6.129 -15.067
50 HE2 HIS 7 HE2 HIS 7 5.972 4.215 -14.320
51 HB2 HIS 7 HB2 HIS 7 7.577 6.687 -10.037
52 HB3 HIS 7 HB3 HIS 7 5.913 6.211 -9.915
53 HA PRO 8 HA PRO 8 8.980 11.298 -9.813
54 HB2 PRO 8 HB2 PRO 8 10.626 10.574 -7.728
55 HB3 PRO 8 HB3 PRO 8 9.004 11.306 -7.513
56 HG2 PRO 8 HG2 PRO 8 9.834 8.390 -7.406
57 HG3 PRO 8 HG3 PRO 8 8.778 9.286 -6.263
58 HD2 PRO 8 HD2 PRO 8 7.775 7.734 -8.257
59 HD3 PRO 8 HD3 PRO 8 6.972 9.248 -7.780
60 H LYS 9 H LYS 9 11.157 11.713 -10.321
61 HA LYS 9 HA LYS 9 12.457 9.633 -11.947
62 HB2 LYS 9 HB2 LYS 9 12.450 12.652 -11.731
63 HB3 LYS 9 HB3 LYS 9 13.837 11.868 -12.429
64 HG2 LYS 9 HG2 LYS 9 12.384 12.546 -14.193
65 HG3 LYS 9 HG3 LYS 9 12.435 10.784 -14.149
66 HD2 LYS 9 HD2 LYS 9 10.235 10.699 -13.069
67 HD3 LYS 9 HD3 LYS 9 10.176 12.462 -12.945
68 HE2 LYS 9 HE2 LYS 9 10.316 10.886 -15.561
69 HE3 LYS 9 HE3 LYS 9 8.818 11.455 -14.818
70 HZ1 LYS 9 HZ3 LYS 9 9.620 13.724 -15.056
71 HZ2 LYS 9 HZ1 LYS 9 9.560 12.976 -16.506
72 HZ3 LYS 9 HZ2 LYS 9 11.001 13.206 -15.774
73 HA HYP 10 HA HYP 10 15.705 9.128 -8.996
74 HG HYP 10 HG HYP 10 17.231 9.408 -12.523
75 HB2 HYP 10 HB2 HYP 10 17.835 8.334 -10.463
76 HB3 HYP 10 HB3 HYP 10 16.307 7.419 -10.429
77 HD22 HYP 10 HD3 HYP 10 14.351 8.552 -12.413
78 HD23 HYP 10 HD2 HYP 10 15.078 10.117 -12.885
79 HD1 HYP 10 HOD HYP 10 16.490 7.776 -13.889
80 H ASN 11 H ASN 11 18.332 10.202 -10.964
81 HA ASN 11 HA ASN 11 18.913 12.347 -9.105
82 HB2 ASN 11 HB2 ASN 11 21.065 12.376 -10.052
83 HB3 ASN 11 HB3 ASN 11 20.611 10.696 -9.835
84 HD21 ASN 11 1HD2 ASN 11 22.355 12.523 -11.862
85 HD22 ASN 11 2HD2 ASN 11 22.027 11.723 -13.397
86 H SER 12 H SER 12 16.683 13.105 -10.270
87 HA SER 12 HA SER 12 16.805 14.400 -12.762
88 HG SER 12 HG SER 12 14.620 16.189 -12.502
89 HB2 SER 12 HB2 SER 12 14.813 13.604 -11.317
90 HB3 SER 12 HB3 SER 12 14.973 15.119 -10.439
91 H DPN 13 H DPN 13 17.851 15.453 -9.668
92 HA DPN 13 HA DPN 13 18.964 17.214 -8.837
93 HD1 DPN 13 HD1 DPN 13 17.855 18.971 -7.007
94 HD2 DPN 13 HD2 DPN 13 14.972 17.729 -9.971
95 HE1 DPN 13 HE1 DPN 13 16.163 18.628 -5.225
96 HE2 DPN 13 HE2 DPN 13 13.287 17.386 -8.184
97 HZ DPN 13 HZ DPN 13 13.877 17.834 -5.808
98 HB2 DPN 13 HB2 DPN 13 17.073 18.719 -10.656
99 HB3 DPN 13 HB3 DPN 13 18.155 19.452 -9.507
100 H TRP 14 H TRP 14 19.699 16.109 -11.649
101 HA TRP 14 HA TRP 14 22.023 17.876 -12.053
102 HD1 TRP 14 HD1 TRP 14 20.964 14.890 -9.905
103 HE1 TRP 14 HE1 TRP 14 22.638 14.410 -8.041
104 HE3 TRP 14 HE3 TRP 14 25.239 16.048 -12.410
105 HZ2 TRP 14 HZ2 TRP 14 25.528 14.507 -7.682
106 HZ3 TRP 14 HZ3 TRP 14 27.460 15.864 -11.291
107 HH2 TRP 14 HH2 TRP 14 27.608 15.092 -8.930
108 HB2 TRP 14 HB2 TRP 14 21.426 14.965 -12.741
109 HB3 TRP 14 HB3 TRP 14 22.916 15.810 -13.142
110 H THR 15 H THR 15 19.037 17.438 -13.489
111 HA THR 15 HA THR 15 20.017 18.296 -16.158
112 HB THR 15 HB THR 15 18.087 16.835 -17.076
113 HG1 THR 15 HG1 THR 15 17.533 15.065 -15.865
114 HG21 THR 15 3HG2 THR 15 20.557 15.441 -15.949
115 HG22 THR 15 1HG2 THR 15 20.496 16.384 -17.453
116 HG23 THR 15 2HG2 THR 15 19.552 14.896 -17.308
Start of MODEL 15
1 HA ASP 1 HA ASP 1 -1.204 0.083 -1.652
2 H1 ASP 1 H1 ASP 1 -3.475 0.543 -3.445
3 H2 ASP 1 H2 ASP 1 -3.381 0.945 -1.864
4 H3 ASP 1 H3 ASP 1 -3.418 -0.645 -2.306
5 HB2 ASP 1 HB2 ASP 1 -1.581 -0.800 -4.539
6 HB3 ASP 1 HB3 ASP 1 -0.020 -0.742 -3.715
7 H TRP 2 H TRP 2 0.713 1.321 -2.277
8 HA TRP 2 HA TRP 2 -0.030 4.022 -3.066
9 HD1 TRP 2 HD1 TRP 2 2.103 1.170 -0.463
10 HE1 TRP 2 HE1 TRP 2 4.363 0.016 -0.720
11 HE3 TRP 2 HE3 TRP 2 4.324 4.517 -3.599
12 HZ2 TRP 2 HZ2 TRP 2 6.861 0.477 -2.180
13 HZ3 TRP 2 HZ3 TRP 2 6.637 4.132 -4.438
14 HH2 TRP 2 HH2 TRP 2 7.904 2.100 -3.713
15 HB2 TRP 2 HB2 TRP 2 2.178 4.599 -2.170
16 HB3 TRP 2 HB3 TRP 2 1.239 3.661 -1.032
17 H GLU 3 H GLU 3 -0.115 2.152 -5.157
18 HA GLU 3 HA GLU 3 2.234 2.461 -6.861
19 HB2 GLU 3 HB2 GLU 3 0.766 0.428 -6.843
20 HB3 GLU 3 HB3 GLU 3 -0.509 1.417 -7.545
21 HG2 GLU 3 HG2 GLU 3 0.536 0.195 -9.327
22 HG3 GLU 3 HG3 GLU 3 0.973 1.887 -9.520
23 H TYR 4 H TYR 4 2.592 4.180 -8.180
24 HA TYR 4 HA TYR 4 0.386 6.118 -8.702
25 HD1 TYR 4 HD2 TYR 4 0.315 7.561 -6.715
26 HD2 TYR 4 HD1 TYR 4 2.964 9.223 -9.682
27 HE1 TYR 4 HE2 TYR 4 -0.770 9.769 -6.439
28 HE2 TYR 4 HE1 TYR 4 1.884 11.433 -9.425
29 HH TYR 4 HH TYR 4 -0.826 11.995 -7.121
30 HB2 TYR 4 HB2 TYR 4 2.797 6.576 -7.464
31 HB3 TYR 4 HB3 TYR 4 3.139 6.957 -9.155
32 H HIS 5 H HIS 5 1.087 7.489 -10.685
33 HA HIS 5 HA HIS 5 1.487 5.646 -13.006
34 HD1 HIS 5 HD1 HIS 5 0.211 7.449 -16.151
35 HD2 HIS 5 HD2 HIS 5 -1.545 4.847 -13.319
36 HE1 HIS 5 HE1 HIS 5 -1.010 5.632 -17.486
37 HE2 HIS 5 HE2 HIS 5 -2.078 4.053 -15.762
38 HB2 HIS 5 HB2 HIS 5 -0.673 7.364 -12.478
39 HB3 HIS 5 HB3 HIS 5 0.284 8.271 -13.622
40 H ALA 6 H ALA 6 1.790 9.121 -12.184
41 HA ALA 6 HA ALA 6 4.246 9.358 -13.805
42 HB1 ALA 6 HB3 ALA 6 2.578 11.467 -12.344
43 HB2 ALA 6 HB1 ALA 6 3.917 11.783 -13.465
44 HB3 ALA 6 HB2 ALA 6 2.426 11.032 -14.067
45 H HIS 7 H HIS 7 4.938 7.741 -11.975
46 HA HIS 7 HA HIS 7 5.735 8.577 -9.481
47 HD1 HIS 7 HD1 HIS 7 7.968 7.359 -12.890
48 HD2 HIS 7 HD2 HIS 7 5.229 4.485 -11.434
49 HE1 HIS 7 HE1 HIS 7 7.366 5.850 -14.868
50 HE2 HIS 7 HE2 HIS 7 5.746 4.070 -13.968
51 HB2 HIS 7 HB2 HIS 7 7.569 6.757 -9.893
52 HB3 HIS 7 HB3 HIS 7 5.897 6.336 -9.698
53 HA PRO 8 HA PRO 8 9.095 11.327 -10.016
54 HB2 PRO 8 HB2 PRO 8 10.712 10.754 -7.868
55 HB3 PRO 8 HB3 PRO 8 9.102 11.526 -7.721
56 HG2 PRO 8 HG2 PRO 8 9.889 8.616 -7.370
57 HG3 PRO 8 HG3 PRO 8 8.845 9.617 -6.306
58 HD2 PRO 8 HD2 PRO 8 7.825 7.919 -8.176
59 HD3 PRO 8 HD3 PRO 8 7.039 9.475 -7.810
60 H LYS 9 H LYS 9 11.269 11.647 -10.552
61 HA LYS 9 HA LYS 9 12.594 9.394 -11.896
62 HB2 LYS 9 HB2 LYS 9 12.630 12.425 -11.998
63 HB3 LYS 9 HB3 LYS 9 13.926 11.499 -12.727
64 HG2 LYS 9 HG2 LYS 9 12.289 10.284 -14.151
65 HG3 LYS 9 HG3 LYS 9 10.971 11.223 -13.421
66 HD2 LYS 9 HD2 LYS 9 11.986 13.325 -14.300
67 HD3 LYS 9 HD3 LYS 9 13.322 12.389 -14.979
68 HE2 LYS 9 HE2 LYS 9 11.813 12.868 -16.771
69 HE3 LYS 9 HE3 LYS 9 11.709 11.140 -16.422
70 HZ1 LYS 9 HZ3 LYS 9 9.648 11.580 -15.221
71 HZ2 LYS 9 HZ1 LYS 9 9.539 12.140 -16.751
72 HZ3 LYS 9 HZ2 LYS 9 9.767 13.189 -15.521
73 HA HYP 10 HA HYP 10 15.765 9.317 -8.824
74 HG HYP 10 HG HYP 10 17.332 8.965 -12.354
75 HB2 HYP 10 HB2 HYP 10 17.920 8.309 -10.131
76 HB3 HYP 10 HB3 HYP 10 16.402 7.405 -9.933
77 HD22 HYP 10 HD3 HYP 10 14.434 8.225 -12.119
78 HD23 HYP 10 HD2 HYP 10 15.206 9.675 -12.828
79 HD1 HYP 10 HOD HYP 10 16.542 7.129 -13.393
80 H ASN 11 H ASN 11 18.258 10.118 -11.143
81 HA ASN 11 HA ASN 11 19.135 12.318 -9.502
82 HB2 ASN 11 HB2 ASN 11 21.120 12.251 -10.743
83 HB3 ASN 11 HB3 ASN 11 20.641 10.584 -10.463
84 HD21 ASN 11 1HD2 ASN 11 22.309 12.091 -12.652
85 HD22 ASN 11 2HD2 ASN 11 21.659 11.443 -14.156
86 H SER 12 H SER 12 16.703 13.008 -10.601
87 HA SER 12 HA SER 12 16.811 14.491 -13.006
88 HG SER 12 HG SER 12 14.446 15.119 -13.436
89 HB2 SER 12 HB2 SER 12 14.774 13.592 -11.761
90 HB3 SER 12 HB3 SER 12 14.958 14.930 -10.622
91 H DPN 13 H DPN 13 17.701 15.290 -9.780
92 HA DPN 13 HA DPN 13 18.792 16.969 -8.755
93 HD1 DPN 13 HD1 DPN 13 14.945 17.525 -10.143
94 HD2 DPN 13 HD2 DPN 13 17.543 18.741 -6.920
95 HE1 DPN 13 HE1 DPN 13 13.124 17.099 -8.512
96 HE2 DPN 13 HE2 DPN 13 15.716 18.318 -5.293
97 HZ DPN 13 HZ DPN 13 13.505 17.496 -6.084
98 HB2 DPN 13 HB2 DPN 13 17.071 18.625 -10.614
99 HB3 DPN 13 HB3 DPN 13 18.072 19.265 -9.342
100 H TRP 14 H TRP 14 19.688 16.063 -11.623
101 HA TRP 14 HA TRP 14 22.011 17.877 -11.829
102 HD1 TRP 14 HD1 TRP 14 20.802 14.642 -9.831
103 HE1 TRP 14 HE1 TRP 14 22.209 14.260 -7.735
104 HE3 TRP 14 HE3 TRP 14 25.261 16.388 -11.575
105 HZ2 TRP 14 HZ2 TRP 14 24.974 14.656 -6.913
106 HZ3 TRP 14 HZ3 TRP 14 27.281 16.386 -10.118
107 HH2 TRP 14 HH2 TRP 14 27.144 15.519 -7.790
108 HB2 TRP 14 HB2 TRP 14 21.611 14.925 -12.504
109 HB3 TRP 14 HB3 TRP 14 23.098 15.838 -12.709
110 H THR 15 H THR 15 19.165 17.126 -13.441
111 HA THR 15 HA THR 15 20.147 17.126 -16.184
112 HB THR 15 HB THR 15 17.336 17.570 -15.102
113 HG1 THR 15 HG1 THR 15 18.646 15.153 -15.874
114 HG21 THR 15 3HG2 THR 15 17.526 18.190 -17.464
115 HG22 THR 15 1HG2 THR 15 16.609 16.687 -17.304
116 HG23 THR 15 2HG2 THR 15 18.305 16.640 -17.843
Start of MODEL 16
1 HA ASP 1 HA ASP 1 -0.835 -0.494 -1.974
2 H1 ASP 1 H1 ASP 1 -2.686 0.319 -0.774
3 H2 ASP 1 H2 ASP 1 -3.174 -1.009 -1.626
4 H3 ASP 1 H3 ASP 1 -3.584 0.506 -2.127
5 HB2 ASP 1 HB2 ASP 1 -2.675 -0.297 -4.389
6 HB3 ASP 1 HB3 ASP 1 -0.921 -0.494 -4.488
7 H TRP 2 H TRP 2 0.731 0.937 -2.958
8 HA TRP 2 HA TRP 2 -0.124 3.782 -3.067
9 HD1 TRP 2 HD1 TRP 2 1.971 0.747 -0.652
10 HE1 TRP 2 HE1 TRP 2 4.287 -0.299 -0.888
11 HE3 TRP 2 HE3 TRP 2 4.223 4.464 -3.313
12 HZ2 TRP 2 HZ2 TRP 2 6.843 0.398 -2.139
13 HZ3 TRP 2 HZ3 TRP 2 6.596 4.249 -4.041
14 HH2 TRP 2 HH2 TRP 2 7.902 2.202 -3.440
15 HB2 TRP 2 HB2 TRP 2 2.012 4.335 -2.005
16 HB3 TRP 2 HB3 TRP 2 1.063 3.274 -0.988
17 H GLU 3 H GLU 3 0.005 1.932 -5.201
18 HA GLU 3 HA GLU 3 2.356 2.461 -6.827
19 HB2 GLU 3 HB2 GLU 3 1.034 0.381 -6.971
20 HB3 GLU 3 HB3 GLU 3 -0.319 1.316 -7.612
21 HG2 GLU 3 HG2 GLU 3 1.044 1.991 -9.565
22 HG3 GLU 3 HG3 GLU 3 2.438 1.133 -8.903
23 H TYR 4 H TYR 4 2.711 4.306 -7.945
24 HA TYR 4 HA TYR 4 0.445 6.142 -8.560
25 HD1 TYR 4 HD2 TYR 4 0.252 7.680 -6.696
26 HD2 TYR 4 HD1 TYR 4 3.034 9.279 -9.575
27 HE1 TYR 4 HE2 TYR 4 -0.870 9.884 -6.553
28 HE2 TYR 4 HE1 TYR 4 1.921 11.481 -9.450
29 HH TYR 4 HH TYR 4 0.210 12.729 -8.479
30 HB2 TYR 4 HB2 TYR 4 2.806 6.717 -7.291
31 HB3 TYR 4 HB3 TYR 4 3.189 7.036 -8.989
32 H HIS 5 H HIS 5 1.131 7.511 -10.546
33 HA HIS 5 HA HIS 5 1.535 5.642 -12.846
34 HD1 HIS 5 HD1 HIS 5 0.195 7.381 -15.999
35 HD2 HIS 5 HD2 HIS 5 -1.498 4.806 -13.104
36 HE1 HIS 5 HE1 HIS 5 -1.028 5.533 -17.289
37 HE2 HIS 5 HE2 HIS 5 -2.059 3.972 -15.527
38 HB2 HIS 5 HB2 HIS 5 -0.638 7.342 -12.313
39 HB3 HIS 5 HB3 HIS 5 0.290 8.243 -13.485
40 H ALA 6 H ALA 6 1.808 9.132 -12.073
41 HA ALA 6 HA ALA 6 4.226 9.374 -13.751
42 HB1 ALA 6 HB3 ALA 6 2.555 11.489 -12.300
43 HB2 ALA 6 HB1 ALA 6 3.866 11.801 -13.455
44 HB3 ALA 6 HB2 ALA 6 2.375 11.015 -14.010
45 H HIS 7 H HIS 7 4.977 7.803 -11.902
46 HA HIS 7 HA HIS 7 5.817 8.719 -9.447
47 HD1 HIS 7 HD1 HIS 7 7.980 7.397 -12.861
48 HD2 HIS 7 HD2 HIS 7 5.269 4.575 -11.260
49 HE1 HIS 7 HE1 HIS 7 7.326 5.837 -14.780
50 HE2 HIS 7 HE2 HIS 7 5.725 4.086 -13.793
51 HB2 HIS 7 HB2 HIS 7 7.650 6.894 -9.841
52 HB3 HIS 7 HB3 HIS 7 5.986 6.472 -9.590
53 HA PRO 8 HA PRO 8 9.206 11.420 -10.194
54 HB2 PRO 8 HB2 PRO 8 10.808 10.980 -8.014
55 HB3 PRO 8 HB3 PRO 8 9.194 11.751 -7.906
56 HG2 PRO 8 HG2 PRO 8 9.998 8.867 -7.397
57 HG3 PRO 8 HG3 PRO 8 8.959 9.922 -6.381
58 HD2 PRO 8 HD2 PRO 8 7.935 8.120 -8.160
59 HD3 PRO 8 HD3 PRO 8 7.141 9.685 -7.852
60 H LYS 9 H LYS 9 11.396 11.662 -10.714
61 HA LYS 9 HA LYS 9 12.759 9.296 -11.818
62 HB2 LYS 9 HB2 LYS 9 12.807 12.301 -12.168
63 HB3 LYS 9 HB3 LYS 9 14.189 11.354 -12.679
64 HG2 LYS 9 HG2 LYS 9 12.727 9.988 -14.158
65 HG3 LYS 9 HG3 LYS 9 11.324 10.947 -13.645
66 HD2 LYS 9 HD2 LYS 9 12.389 12.996 -14.560
67 HD3 LYS 9 HD3 LYS 9 13.791 12.033 -15.081
68 HE2 LYS 9 HE2 LYS 9 12.301 10.653 -16.520
69 HE3 LYS 9 HE3 LYS 9 10.908 11.613 -16.002
70 HZ1 LYS 9 HZ3 LYS 9 13.232 12.657 -17.507
71 HZ2 LYS 9 HZ1 LYS 9 11.941 13.547 -17.026
72 HZ3 LYS 9 HZ2 LYS 9 11.752 12.355 -18.126
73 HA HYP 10 HA HYP 10 15.644 9.312 -8.515
74 HG HYP 10 HG HYP 10 17.516 8.812 -11.894
75 HB2 HYP 10 HB2 HYP 10 17.936 8.306 -9.605
76 HB3 HYP 10 HB3 HYP 10 16.426 7.382 -9.469
77 HD22 HYP 10 HD3 HYP 10 14.602 8.104 -11.842
78 HD23 HYP 10 HD2 HYP 10 15.443 9.506 -12.566
79 HD1 HYP 10 HOD HYP 10 16.788 6.925 -12.885
80 H ASN 11 H ASN 11 18.219 10.118 -10.778
81 HA ASN 11 HA ASN 11 19.063 12.357 -9.146
82 HB2 ASN 11 HB2 ASN 11 21.039 12.336 -10.399
83 HB3 ASN 11 HB3 ASN 11 20.615 10.659 -10.100
84 HD21 ASN 11 1HD2 ASN 11 22.106 12.377 -12.361
85 HD22 ASN 11 2HD2 ASN 11 21.514 11.613 -13.834
86 H SER 12 H SER 12 16.613 12.990 -10.142
87 HA SER 12 HA SER 12 16.554 14.231 -12.672
88 HG SER 12 HG SER 12 14.278 15.912 -12.344
89 HB2 SER 12 HB2 SER 12 14.662 13.350 -11.154
90 HB3 SER 12 HB3 SER 12 14.770 14.885 -10.297
91 H DPN 13 H DPN 13 17.589 15.382 -9.606
92 HA DPN 13 HA DPN 13 18.599 17.213 -8.795
93 HD1 DPN 13 HD1 DPN 13 17.411 18.969 -7.018
94 HD2 DPN 13 HD2 DPN 13 14.605 17.468 -9.933
95 HE1 DPN 13 HE1 DPN 13 15.754 18.557 -5.217
96 HE2 DPN 13 HE2 DPN 13 12.955 17.054 -8.128
97 HZ DPN 13 HZ DPN 13 13.524 17.598 -5.767
98 HB2 DPN 13 HB2 DPN 13 16.640 18.577 -10.656
99 HB3 DPN 13 HB3 DPN 13 17.679 19.397 -9.524
100 H TRP 14 H TRP 14 19.414 16.112 -11.603
101 HA TRP 14 HA TRP 14 21.685 17.948 -11.962
102 HD1 TRP 14 HD1 TRP 14 20.722 14.945 -9.936
103 HE1 TRP 14 HE1 TRP 14 22.456 14.341 -8.167
104 HE3 TRP 14 HE3 TRP 14 24.923 16.029 -12.592
105 HZ2 TRP 14 HZ2 TRP 14 25.360 14.319 -7.934
106 HZ3 TRP 14 HZ3 TRP 14 27.183 15.724 -11.581
107 HH2 TRP 14 HH2 TRP 14 27.404 14.868 -9.255
108 HB2 TRP 14 HB2 TRP 14 21.113 15.080 -12.826
109 HB3 TRP 14 HB3 TRP 14 22.580 15.973 -13.208
110 H THR 15 H THR 15 18.671 17.651 -13.337
111 HA THR 15 HA THR 15 19.614 18.576 -16.007
112 HB THR 15 HB THR 15 17.200 17.568 -16.631
113 HG1 THR 15 HG1 THR 15 17.004 16.636 -14.443
114 HG21 THR 15 3HG2 THR 15 18.389 15.583 -17.509
115 HG22 THR 15 1HG2 THR 15 19.789 15.960 -16.476
116 HG23 THR 15 2HG2 THR 15 19.311 17.068 -17.780
Start of MODEL 17
1 HA ASP 1 HA ASP 1 -0.641 -0.564 -2.777
2 H1 ASP 1 H1 ASP 1 -0.801 -0.363 -0.407
3 H2 ASP 1 H2 ASP 1 -2.035 -1.297 -0.955
4 H3 ASP 1 H3 ASP 1 -2.308 0.261 -0.505
5 HB2 ASP 1 HB2 ASP 1 -2.929 -0.990 -3.360
6 HB3 ASP 1 HB3 ASP 1 -3.459 0.557 -2.683
7 H TRP 2 H TRP 2 0.719 0.963 -3.527
8 HA TRP 2 HA TRP 2 0.107 3.779 -3.209
9 HD1 TRP 2 HD1 TRP 2 2.332 0.787 -0.857
10 HE1 TRP 2 HE1 TRP 2 4.653 -0.228 -1.169
11 HE3 TRP 2 HE3 TRP 2 4.434 4.522 -3.611
12 HZ2 TRP 2 HZ2 TRP 2 7.152 0.498 -2.515
13 HZ3 TRP 2 HZ3 TRP 2 6.782 4.334 -4.426
14 HH2 TRP 2 HH2 TRP 2 8.138 2.310 -3.863
15 HB2 TRP 2 HB2 TRP 2 2.279 4.369 -2.243
16 HB3 TRP 2 HB3 TRP 2 1.395 3.325 -1.155
17 H GLU 3 H GLU 3 0.106 1.882 -5.318
18 HA GLU 3 HA GLU 3 2.410 2.385 -7.029
19 HB2 GLU 3 HB2 GLU 3 1.051 0.315 -7.119
20 HB3 GLU 3 HB3 GLU 3 -0.296 1.272 -7.748
21 HG2 GLU 3 HG2 GLU 3 1.059 1.919 -9.716
22 HG3 GLU 3 HG3 GLU 3 2.440 1.030 -9.070
23 H TYR 4 H TYR 4 2.740 4.226 -8.167
24 HA TYR 4 HA TYR 4 0.452 6.051 -8.733
25 HD1 TYR 4 HD2 TYR 4 0.268 7.496 -6.763
26 HD2 TYR 4 HD1 TYR 4 2.913 9.277 -9.667
27 HE1 TYR 4 HE2 TYR 4 -0.919 9.654 -6.514
28 HE2 TYR 4 HE1 TYR 4 1.729 11.436 -9.437
29 HH TYR 4 HH TYR 4 -1.058 11.876 -7.198
30 HB2 TYR 4 HB2 TYR 4 2.817 6.626 -7.455
31 HB3 TYR 4 HB3 TYR 4 3.166 7.023 -9.144
32 H HIS 5 H HIS 5 1.090 7.453 -10.691
33 HA HIS 5 HA HIS 5 1.553 5.639 -13.020
34 HD1 HIS 5 HD1 HIS 5 0.280 7.406 -16.160
35 HD2 HIS 5 HD2 HIS 5 -1.509 4.842 -13.314
36 HE1 HIS 5 HE1 HIS 5 -0.949 5.587 -17.484
37 HE2 HIS 5 HE2 HIS 5 -2.037 4.031 -15.752
38 HB2 HIS 5 HB2 HIS 5 -0.617 7.346 -12.484
39 HB3 HIS 5 HB3 HIS 5 0.334 8.254 -13.635
40 H ALA 6 H ALA 6 1.834 9.112 -12.168
41 HA ALA 6 HA ALA 6 4.295 9.378 -13.775
42 HB1 ALA 6 HB3 ALA 6 3.963 11.796 -13.393
43 HB2 ALA 6 HB1 ALA 6 2.474 11.056 -14.014
44 HB3 ALA 6 HB2 ALA 6 2.620 11.459 -12.282
45 H HIS 7 H HIS 7 4.982 7.731 -11.969
46 HA HIS 7 HA HIS 7 5.793 8.545 -9.468
47 HD1 HIS 7 HD1 HIS 7 7.987 7.300 -12.909
48 HD2 HIS 7 HD2 HIS 7 5.207 4.485 -11.419
49 HE1 HIS 7 HE1 HIS 7 7.327 5.806 -14.880
50 HE2 HIS 7 HE2 HIS 7 5.683 4.060 -13.959
51 HB2 HIS 7 HB2 HIS 7 7.622 6.719 -9.916
52 HB3 HIS 7 HB3 HIS 7 5.951 6.309 -9.687
53 HA PRO 8 HA PRO 8 9.087 11.334 -9.988
54 HB2 PRO 8 HB2 PRO 8 10.761 10.751 -7.881
55 HB3 PRO 8 HB3 PRO 8 9.136 11.483 -7.689
56 HG2 PRO 8 HG2 PRO 8 9.988 8.584 -7.422
57 HG3 PRO 8 HG3 PRO 8 8.947 9.540 -6.315
58 HD2 PRO 8 HD2 PRO 8 7.917 7.870 -8.197
59 HD3 PRO 8 HD3 PRO 8 7.116 9.409 -7.797
60 H LYS 9 H LYS 9 11.267 11.725 -10.529
61 HA LYS 9 HA LYS 9 12.599 9.537 -11.984
62 HB2 LYS 9 HB2 LYS 9 12.535 12.555 -12.030
63 HB3 LYS 9 HB3 LYS 9 13.986 11.767 -12.583
64 HG2 LYS 9 HG2 LYS 9 12.564 12.247 -14.468
65 HG3 LYS 9 HG3 LYS 9 12.735 10.499 -14.275
66 HD2 LYS 9 HD2 LYS 9 10.472 10.334 -13.329
67 HD3 LYS 9 HD3 LYS 9 10.343 12.095 -13.259
68 HE2 LYS 9 HE2 LYS 9 9.066 11.309 -15.142
69 HE3 LYS 9 HE3 LYS 9 10.457 12.224 -15.730
70 HZ1 LYS 9 HZ3 LYS 9 10.276 9.267 -15.647
71 HZ2 LYS 9 HZ1 LYS 9 11.549 10.124 -16.231
72 HZ3 LYS 9 HZ2 LYS 9 10.102 10.192 -16.981
73 HA HYP 10 HA HYP 10 15.761 9.232 -8.942
74 HG HYP 10 HG HYP 10 17.354 9.195 -12.477
75 HB2 HYP 10 HB2 HYP 10 17.934 8.355 -10.315
76 HB3 HYP 10 HB3 HYP 10 16.421 7.427 -10.206
77 HD22 HYP 10 HD3 HYP 10 14.461 8.417 -12.324
78 HD23 HYP 10 HD2 HYP 10 15.227 9.925 -12.906
79 HD1 HYP 10 HOD HYP 10 16.589 7.451 -13.676
80 H ASN 11 H ASN 11 18.274 10.244 -11.156
81 HA ASN 11 HA ASN 11 19.080 12.353 -9.349
82 HB2 ASN 11 HB2 ASN 11 21.098 12.390 -10.544
83 HB3 ASN 11 HB3 ASN 11 20.647 10.705 -10.359
84 HD21 ASN 11 1HD2 ASN 11 22.235 12.520 -12.461
85 HD22 ASN 11 2HD2 ASN 11 21.680 11.857 -13.996
86 H SER 12 H SER 12 16.697 13.113 -10.308
87 HA SER 12 HA SER 12 16.622 14.562 -12.718
88 HG SER 12 HG SER 12 14.188 15.161 -12.939
89 HB2 SER 12 HB2 SER 12 14.696 13.720 -11.260
90 HB3 SER 12 HB3 SER 12 14.995 15.094 -10.192
91 H DPN 13 H DPN 13 17.734 15.465 -9.586
92 HA DPN 13 HA DPN 13 18.849 17.191 -8.669
93 HD1 DPN 13 HD1 DPN 13 14.919 17.676 -9.902
94 HD2 DPN 13 HD2 DPN 13 17.676 18.936 -6.831
95 HE1 DPN 13 HE1 DPN 13 13.196 17.238 -8.173
96 HE2 DPN 13 HE2 DPN 13 15.946 18.503 -5.106
97 HZ DPN 13 HZ DPN 13 13.703 17.653 -5.771
98 HB2 DPN 13 HB2 DPN 13 17.014 18.756 -10.502
99 HB3 DPN 13 HB3 DPN 13 18.058 19.455 -9.297
100 H TRP 14 H TRP 14 19.636 16.221 -11.562
101 HA TRP 14 HA TRP 14 21.982 17.987 -11.809
102 HD1 TRP 14 HD1 TRP 14 20.876 14.868 -9.917
103 HE1 TRP 14 HE1 TRP 14 22.536 14.207 -8.095
104 HE3 TRP 14 HE3 TRP 14 25.179 16.128 -12.320
105 HZ2 TRP 14 HZ2 TRP 14 25.427 14.216 -7.728
106 HZ3 TRP 14 HZ3 TRP 14 27.394 15.810 -11.218
107 HH2 TRP 14 HH2 TRP 14 27.521 14.852 -8.926
108 HB2 TRP 14 HB2 TRP 14 21.356 15.153 -12.746
109 HB3 TRP 14 HB3 TRP 14 22.856 16.015 -13.066
110 H THR 15 H THR 15 18.989 17.669 -13.267
111 HA THR 15 HA THR 15 19.970 18.837 -15.825
112 HB THR 15 HB THR 15 17.964 17.590 -16.876
113 HG1 THR 15 HG1 THR 15 17.152 16.723 -14.896
114 HG21 THR 15 3HG2 THR 15 20.327 17.126 -17.414
115 HG22 THR 15 1HG2 THR 15 19.359 15.646 -17.404
116 HG23 THR 15 2HG2 THR 15 20.435 16.009 -16.037
Start of MODEL 18
1 HA ASP 1 HA ASP 1 -1.078 0.198 -1.831
2 H1 ASP 1 H1 ASP 1 -3.468 1.110 -3.261
3 H2 ASP 1 H2 ASP 1 -3.141 1.316 -1.672
4 H3 ASP 1 H3 ASP 1 -3.428 -0.200 -2.262
5 HB2 ASP 1 HB2 ASP 1 -1.898 -0.304 -4.718
6 HB3 ASP 1 HB3 ASP 1 -0.256 -0.513 -4.101
7 H TRP 2 H TRP 2 0.876 1.313 -2.492
8 HA TRP 2 HA TRP 2 0.348 4.128 -3.069
9 HD1 TRP 2 HD1 TRP 2 2.291 0.960 -0.693
10 HE1 TRP 2 HE1 TRP 2 4.428 -0.376 -1.089
11 HE3 TRP 2 HE3 TRP 2 4.706 4.258 -3.737
12 HZ2 TRP 2 HZ2 TRP 2 6.913 -0.058 -2.607
13 HZ3 TRP 2 HZ3 TRP 2 6.954 3.719 -4.666
14 HH2 TRP 2 HH2 TRP 2 8.053 1.548 -4.088
15 HB2 TRP 2 HB2 TRP 2 2.627 4.457 -2.220
16 HB3 TRP 2 HB3 TRP 2 1.643 3.545 -1.097
17 H GLU 3 H GLU 3 0.075 2.313 -5.212
18 HA GLU 3 HA GLU 3 2.363 2.571 -7.008
19 HB2 GLU 3 HB2 GLU 3 0.863 0.597 -6.965
20 HB3 GLU 3 HB3 GLU 3 -0.441 1.619 -7.570
21 HG2 GLU 3 HG2 GLU 3 0.868 2.109 -9.620
22 HG3 GLU 3 HG3 GLU 3 2.209 1.142 -9.001
23 H TYR 4 H TYR 4 2.764 4.380 -8.178
24 HA TYR 4 HA TYR 4 0.550 6.282 -8.789
25 HD1 TYR 4 HD1 TYR 4 0.457 7.789 -6.837
26 HD2 TYR 4 HD2 TYR 4 3.101 9.373 -9.853
27 HE1 TYR 4 HE1 TYR 4 -0.649 9.995 -6.641
28 HE2 TYR 4 HE2 TYR 4 1.998 11.580 -9.675
29 HH TYR 4 HH TYR 4 -0.724 12.196 -7.400
30 HB2 TYR 4 HB2 TYR 4 2.947 6.800 -7.540
31 HB3 TYR 4 HB3 TYR 4 3.297 7.131 -9.241
32 H HIS 5 H HIS 5 1.238 7.578 -10.802
33 HA HIS 5 HA HIS 5 1.640 5.656 -13.055
34 HD1 HIS 5 HD1 HIS 5 0.366 7.358 -16.263
35 HD2 HIS 5 HD2 HIS 5 -1.405 4.892 -13.321
36 HE1 HIS 5 HE1 HIS 5 -0.895 5.511 -17.518
37 HE2 HIS 5 HE2 HIS 5 -1.972 4.015 -15.727
38 HB2 HIS 5 HB2 HIS 5 -0.491 7.428 -12.587
39 HB3 HIS 5 HB3 HIS 5 0.476 8.272 -13.770
40 H ALA 6 H ALA 6 1.997 9.155 -12.362
41 HA ALA 6 HA ALA 6 4.467 9.285 -13.981
42 HB1 ALA 6 HB3 ALA 6 4.163 11.729 -13.760
43 HB2 ALA 6 HB1 ALA 6 2.670 10.966 -14.344
44 HB3 ALA 6 HB2 ALA 6 2.808 11.481 -12.641
45 H HIS 7 H HIS 7 5.126 7.752 -12.068
46 HA HIS 7 HA HIS 7 5.864 8.712 -9.603
47 HD1 HIS 7 HD1 HIS 7 8.151 7.190 -12.880
48 HD2 HIS 7 HD2 HIS 7 5.255 4.555 -11.282
49 HE1 HIS 7 HE1 HIS 7 7.474 5.605 -14.773
50 HE2 HIS 7 HE2 HIS 7 5.767 3.962 -13.781
51 HB2 HIS 7 HB2 HIS 7 7.688 6.840 -9.871
52 HB3 HIS 7 HB3 HIS 7 6.005 6.469 -9.659
53 HA PRO 8 HA PRO 8 9.234 11.415 -10.167
54 HB2 PRO 8 HB2 PRO 8 10.741 11.009 -7.910
55 HB3 PRO 8 HB3 PRO 8 9.104 11.738 -7.882
56 HG2 PRO 8 HG2 PRO 8 9.946 8.871 -7.350
57 HG3 PRO 8 HG3 PRO 8 8.841 9.900 -6.377
58 HD2 PRO 8 HD2 PRO 8 7.929 8.097 -8.199
59 HD3 PRO 8 HD3 PRO 8 7.100 9.653 -7.944
60 H LYS 9 H LYS 9 11.517 11.716 -10.497
61 HA LYS 9 HA LYS 9 12.826 9.372 -11.724
62 HB2 LYS 9 HB2 LYS 9 12.816 12.377 -12.108
63 HB3 LYS 9 HB3 LYS 9 14.195 11.460 -12.629
64 HG2 LYS 9 HG2 LYS 9 12.734 11.784 -14.510
65 HG3 LYS 9 HG3 LYS 9 12.760 10.065 -14.105
66 HD2 LYS 9 HD2 LYS 9 10.564 10.243 -13.028
67 HD3 LYS 9 HD3 LYS 9 10.567 12.009 -13.249
68 HE2 LYS 9 HE2 LYS 9 10.600 11.654 -15.723
69 HE3 LYS 9 HE3 LYS 9 10.569 9.903 -15.459
70 HZ1 LYS 9 HZ3 LYS 9 8.426 10.217 -14.318
71 HZ2 LYS 9 HZ1 LYS 9 8.364 10.716 -15.880
72 HZ3 LYS 9 HZ2 LYS 9 8.451 11.815 -14.674
73 HA HYP 10 HA HYP 10 15.876 9.393 -8.587
74 HG HYP 10 HG HYP 10 17.565 8.933 -12.058
75 HB2 HYP 10 HB2 HYP 10 18.122 8.420 -9.805
76 HB3 HYP 10 HB3 HYP 10 16.634 7.477 -9.582
77 HD22 HYP 10 HD3 HYP 10 14.668 8.199 -11.868
78 HD23 HYP 10 HD2 HYP 10 15.467 9.610 -12.620
79 HD1 HYP 10 HOD HYP 10 16.185 6.476 -11.615
80 H ASN 11 H ASN 11 18.300 10.244 -10.997
81 HA ASN 11 HA ASN 11 19.245 12.447 -9.370
82 HB2 ASN 11 HB2 ASN 11 21.156 12.427 -10.729
83 HB3 ASN 11 HB3 ASN 11 20.731 10.749 -10.444
84 HD21 ASN 11 1HD2 ASN 11 22.176 12.413 -12.723
85 HD22 ASN 11 2HD2 ASN 11 21.475 11.729 -14.187
86 H SER 12 H SER 12 16.761 13.102 -10.207
87 HA SER 12 HA SER 12 16.510 14.453 -12.662
88 HG SER 12 HG SER 12 13.259 15.344 -11.545
89 HB2 SER 12 HB2 SER 12 14.704 13.625 -11.061
90 HB3 SER 12 HB3 SER 12 15.015 15.062 -10.080
91 H DPN 13 H DPN 13 17.714 15.505 -9.605
92 HA DPN 13 HA DPN 13 18.814 17.287 -8.786
93 HD1 DPN 13 HD1 DPN 13 17.692 19.160 -7.019
94 HD2 DPN 13 HD2 DPN 13 14.880 17.561 -9.874
95 HE1 DPN 13 HE1 DPN 13 16.074 18.729 -5.190
96 HE2 DPN 13 HE2 DPN 13 13.275 17.117 -8.039
97 HZ DPN 13 HZ DPN 13 13.861 17.709 -5.693
98 HB2 DPN 13 HB2 DPN 13 16.892 18.727 -10.635
99 HB3 DPN 13 HB3 DPN 13 17.965 19.512 -9.512
100 H TRP 14 H TRP 14 19.579 16.217 -11.652
101 HA TRP 14 HA TRP 14 21.924 17.976 -11.954
102 HD1 TRP 14 HD1 TRP 14 20.825 14.925 -9.996
103 HE1 TRP 14 HE1 TRP 14 22.504 14.268 -8.194
104 HE3 TRP 14 HE3 TRP 14 25.105 16.040 -12.508
105 HZ2 TRP 14 HZ2 TRP 14 25.401 14.216 -7.883
106 HZ3 TRP 14 HZ3 TRP 14 27.334 15.691 -11.444
107 HH2 TRP 14 HH2 TRP 14 27.484 14.777 -9.135
108 HB2 TRP 14 HB2 TRP 14 21.274 15.136 -12.855
109 HB3 TRP 14 HB3 TRP 14 22.773 15.990 -13.198
110 H THR 15 H THR 15 18.900 17.932 -13.307
111 HA THR 15 HA THR 15 19.810 19.130 -15.795
112 HB THR 15 HB THR 15 19.813 16.641 -16.149
113 HG1 THR 15 HG1 THR 15 19.649 17.877 -17.934
114 HG21 THR 15 3HG2 THR 15 17.916 15.929 -14.817
115 HG22 THR 15 1HG2 THR 15 17.703 15.444 -16.502
116 HG23 THR 15 2HG2 THR 15 16.794 16.829 -15.860
Start of MODEL 19
1 HA ASP 1 HA ASP 1 -1.071 -0.191 -2.040
2 H1 ASP 1 H1 ASP 1 -3.242 0.096 -3.988
3 H2 ASP 1 H2 ASP 1 -3.304 0.455 -2.395
4 H3 ASP 1 H3 ASP 1 -3.145 -1.116 -2.877
5 HB2 ASP 1 HB2 ASP 1 -1.148 -1.015 -4.969
6 HB3 ASP 1 HB3 ASP 1 0.338 -0.822 -4.031
7 H TRP 2 H TRP 2 0.753 1.244 -2.493
8 HA TRP 2 HA TRP 2 -0.199 3.888 -3.246
9 HD1 TRP 2 HD1 TRP 2 1.945 1.189 -0.505
10 HE1 TRP 2 HE1 TRP 2 4.286 0.183 -0.619
11 HE3 TRP 2 HE3 TRP 2 4.140 4.687 -3.488
12 HZ2 TRP 2 HZ2 TRP 2 6.835 0.807 -1.924
13 HZ3 TRP 2 HZ3 TRP 2 6.519 4.454 -4.187
14 HH2 TRP 2 HH2 TRP 2 7.865 2.500 -3.389
15 HB2 TRP 2 HB2 TRP 2 1.899 4.627 -2.176
16 HB3 TRP 2 HB3 TRP 2 0.942 3.594 -1.138
17 H GLU 3 H GLU 3 0.069 2.093 -5.391
18 HA GLU 3 HA GLU 3 2.487 2.688 -6.901
19 HB2 GLU 3 HB2 GLU 3 1.226 0.541 -7.078
20 HB3 GLU 3 HB3 GLU 3 -0.098 1.437 -7.813
21 HG2 GLU 3 HG2 GLU 3 1.181 0.379 -9.563
22 HG3 GLU 3 HG3 GLU 3 1.404 2.116 -9.689
23 H TYR 4 H TYR 4 2.785 4.414 -8.239
24 HA TYR 4 HA TYR 4 0.505 6.273 -8.727
25 HD1 TYR 4 HD2 TYR 4 0.456 7.735 -6.762
26 HD2 TYR 4 HD1 TYR 4 2.965 9.442 -9.826
27 HE1 TYR 4 HE2 TYR 4 -0.677 9.916 -6.468
28 HE2 TYR 4 HE1 TYR 4 1.835 11.625 -9.550
29 HH TYR 4 HH TYR 4 -0.813 12.135 -7.163
30 HB2 TYR 4 HB2 TYR 4 2.944 6.818 -7.582
31 HB3 TYR 4 HB3 TYR 4 3.210 7.186 -9.292
32 H HIS 5 H HIS 5 1.066 7.642 -10.733
33 HA HIS 5 HA HIS 5 1.369 5.793 -13.061
34 HD1 HIS 5 HD1 HIS 5 0.083 7.615 -16.167
35 HD2 HIS 5 HD2 HIS 5 -1.727 5.128 -13.267
36 HE1 HIS 5 HE1 HIS 5 -1.257 5.847 -17.453
37 HE2 HIS 5 HE2 HIS 5 -2.357 4.338 -15.688
38 HB2 HIS 5 HB2 HIS 5 -0.706 7.592 -12.465
39 HB3 HIS 5 HB3 HIS 5 0.243 8.461 -13.647
40 H ALA 6 H ALA 6 1.829 9.255 -12.262
41 HA ALA 6 HA ALA 6 4.262 9.368 -13.946
42 HB1 ALA 6 HB3 ALA 6 4.002 11.812 -13.699
43 HB2 ALA 6 HB1 ALA 6 2.484 11.081 -14.260
44 HB3 ALA 6 HB2 ALA 6 2.666 11.577 -12.555
45 H HIS 7 H HIS 7 4.939 7.810 -12.059
46 HA HIS 7 HA HIS 7 5.782 8.771 -9.619
47 HD1 HIS 7 HD1 HIS 7 7.856 7.117 -12.991
48 HD2 HIS 7 HD2 HIS 7 4.939 4.646 -11.186
49 HE1 HIS 7 HE1 HIS 7 7.021 5.517 -14.808
50 HE2 HIS 7 HE2 HIS 7 5.294 3.977 -13.692
51 HB2 HIS 7 HB2 HIS 7 7.560 6.853 -9.963
52 HB3 HIS 7 HB3 HIS 7 5.882 6.535 -9.637
53 HA PRO 8 HA PRO 8 9.072 11.481 -10.340
54 HB2 PRO 8 HB2 PRO 8 10.742 11.064 -8.197
55 HB3 PRO 8 HB3 PRO 8 9.102 11.773 -8.049
56 HG2 PRO 8 HG2 PRO 8 10.008 8.911 -7.609
57 HG3 PRO 8 HG3 PRO 8 8.957 9.918 -6.555
58 HD2 PRO 8 HD2 PRO 8 7.941 8.126 -8.323
59 HD3 PRO 8 HD3 PRO 8 7.121 9.678 -8.019
60 H LYS 9 H LYS 9 11.221 11.876 -10.898
61 HA LYS 9 HA LYS 9 12.614 9.690 -12.268
62 HB2 LYS 9 HB2 LYS 9 12.661 12.705 -12.164
63 HB3 LYS 9 HB3 LYS 9 14.107 11.884 -12.691
64 HG2 LYS 9 HG2 LYS 9 12.866 12.558 -14.600
65 HG3 LYS 9 HG3 LYS 9 12.890 10.806 -14.544
66 HD2 LYS 9 HD2 LYS 9 10.530 12.366 -13.427
67 HD3 LYS 9 HD3 LYS 9 10.687 12.154 -15.160
68 HE2 LYS 9 HE2 LYS 9 10.608 9.826 -13.192
69 HE3 LYS 9 HE3 LYS 9 9.193 10.483 -14.009
70 HZ1 LYS 9 HZ3 LYS 9 10.202 9.916 -16.126
71 HZ2 LYS 9 HZ1 LYS 9 10.068 8.587 -15.189
72 HZ3 LYS 9 HZ2 LYS 9 11.526 9.294 -15.390
73 HA HYP 10 HA HYP 10 15.560 9.191 -9.026
74 HG HYP 10 HG HYP 10 17.325 9.036 -12.507
75 HB2 HYP 10 HB2 HYP 10 17.766 8.233 -10.301
76 HB3 HYP 10 HB3 HYP 10 16.218 7.361 -10.245
77 HD22 HYP 10 HD3 HYP 10 14.393 8.481 -12.503
78 HD23 HYP 10 HD2 HYP 10 15.297 9.942 -13.000
79 HD1 HYP 10 HOD HYP 10 17.374 6.798 -12.736
80 H ASN 11 H ASN 11 18.134 10.141 -11.222
81 HA ASN 11 HA ASN 11 19.039 12.202 -9.395
82 HB2 ASN 11 HB2 ASN 11 21.031 12.216 -10.651
83 HB3 ASN 11 HB3 ASN 11 20.558 10.538 -10.446
84 HD21 ASN 11 1HD2 ASN 11 22.168 12.231 -12.588
85 HD22 ASN 11 2HD2 ASN 11 21.525 11.622 -14.111
86 H SER 12 H SER 12 16.668 13.046 -10.256
87 HA SER 12 HA SER 12 16.524 14.508 -12.653
88 HG SER 12 HG SER 12 13.327 15.555 -11.503
89 HB2 SER 12 HB2 SER 12 14.664 13.733 -11.071
90 HB3 SER 12 HB3 SER 12 15.062 15.121 -10.053
91 H DPN 13 H DPN 13 17.778 15.355 -9.557
92 HA DPN 13 HA DPN 13 18.982 17.023 -8.653
93 HD1 DPN 13 HD1 DPN 13 17.836 18.562 -6.794
94 HD2 DPN 13 HD2 DPN 13 15.056 17.904 -10.029
95 HE1 DPN 13 HE1 DPN 13 16.019 18.152 -5.155
96 HE2 DPN 13 HE2 DPN 13 13.245 17.496 -8.386
97 HZ DPN 13 HZ DPN 13 13.719 17.622 -5.946
98 HB2 DPN 13 HB2 DPN 13 17.270 18.691 -10.504
99 HB3 DPN 13 HB3 DPN 13 18.303 19.315 -9.247
100 H TRP 14 H TRP 14 19.665 16.036 -11.585
101 HA TRP 14 HA TRP 14 22.071 17.725 -11.898
102 HD1 TRP 14 HD1 TRP 14 20.846 14.558 -9.797
103 HE1 TRP 14 HE1 TRP 14 22.351 14.200 -7.765
104 HE3 TRP 14 HE3 TRP 14 25.238 16.196 -11.798
105 HZ2 TRP 14 HZ2 TRP 14 25.156 14.581 -7.086
106 HZ3 TRP 14 HZ3 TRP 14 27.324 16.208 -10.440
107 HH2 TRP 14 HH2 TRP 14 27.290 15.399 -8.087
108 HB2 TRP 14 HB2 TRP 14 21.490 14.790 -12.500
109 HB3 TRP 14 HB3 TRP 14 23.006 15.620 -12.820
110 H THR 15 H THR 15 19.127 17.127 -13.389
111 HA THR 15 HA THR 15 19.989 17.100 -16.168
112 HB THR 15 HB THR 15 17.265 17.744 -14.964
113 HG1 THR 15 HG1 THR 15 16.842 15.563 -15.255
114 HG21 THR 15 3HG2 THR 15 18.073 16.799 -17.759
115 HG22 THR 15 1HG2 THR 15 17.454 18.410 -17.337
116 HG23 THR 15 2HG2 THR 15 16.404 16.998 -17.175
Start of MODEL 20
1 HA ASP 1 HA ASP 1 -1.025 0.152 -1.753
2 H1 ASP 1 H1 ASP 1 -3.426 1.052 -3.173
3 H2 ASP 1 H2 ASP 1 -3.092 1.261 -1.586
4 H3 ASP 1 H3 ASP 1 -3.374 -0.256 -2.174
5 HB2 ASP 1 HB2 ASP 1 -1.856 -0.356 -4.636
6 HB3 ASP 1 HB3 ASP 1 -0.210 -0.558 -4.028
7 H TRP 2 H TRP 2 0.926 1.264 -2.449
8 HA TRP 2 HA TRP 2 0.393 4.082 -2.986
9 HD1 TRP 2 HD1 TRP 2 2.386 0.886 -0.692
10 HE1 TRP 2 HE1 TRP 2 4.499 -0.462 -1.164
11 HE3 TRP 2 HE3 TRP 2 4.732 4.190 -3.784
12 HZ2 TRP 2 HZ2 TRP 2 6.938 -0.152 -2.755
13 HZ3 TRP 2 HZ3 TRP 2 6.947 3.640 -4.787
14 HH2 TRP 2 HH2 TRP 2 8.044 1.456 -4.259
15 HB2 TRP 2 HB2 TRP 2 2.700 4.392 -2.201
16 HB3 TRP 2 HB3 TRP 2 1.741 3.475 -1.061
17 H GLU 3 H GLU 3 0.051 2.303 -5.148
18 HA GLU 3 HA GLU 3 2.289 2.585 -7.006
19 HB2 GLU 3 HB2 GLU 3 0.786 0.611 -6.947
20 HB3 GLU 3 HB3 GLU 3 -0.532 1.644 -7.499
21 HG2 GLU 3 HG2 GLU 3 0.723 2.164 -9.576
22 HG3 GLU 3 HG3 GLU 3 2.076 1.181 -9.012
23 H TYR 4 H TYR 4 2.655 4.420 -8.149
24 HA TYR 4 HA TYR 4 0.414 6.311 -8.689
25 HD1 TYR 4 HD2 TYR 4 0.303 7.760 -6.705
26 HD2 TYR 4 HD1 TYR 4 2.932 9.469 -9.666
27 HE1 TYR 4 HE2 TYR 4 -0.826 9.950 -6.441
28 HE2 TYR 4 HE1 TYR 4 1.810 11.655 -9.420
29 HH TYR 4 HH TYR 4 0.139 12.860 -8.332
30 HB2 TYR 4 HB2 TYR 4 2.814 6.826 -7.442
31 HB3 TYR 4 HB3 TYR 4 3.148 7.208 -9.135
32 H HIS 5 H HIS 5 1.078 7.665 -10.675
33 HA HIS 5 HA HIS 5 1.499 5.805 -12.977
34 HD1 HIS 5 HD1 HIS 5 0.302 7.564 -16.145
35 HD2 HIS 5 HD2 HIS 5 -1.583 5.091 -13.283
36 HE1 HIS 5 HE1 HIS 5 -0.967 5.764 -17.458
37 HE2 HIS 5 HE2 HIS 5 -2.114 4.262 -15.714
38 HB2 HIS 5 HB2 HIS 5 -0.626 7.577 -12.476
39 HB3 HIS 5 HB3 HIS 5 0.355 8.445 -13.631
40 H ALA 6 H ALA 6 1.871 9.280 -12.173
41 HA ALA 6 HA ALA 6 4.349 9.455 -13.770
42 HB1 ALA 6 HB3 ALA 6 2.573 11.172 -14.056
43 HB2 ALA 6 HB1 ALA 6 2.715 11.605 -12.330
44 HB3 ALA 6 HB2 ALA 6 4.074 11.887 -13.436
45 H HIS 7 H HIS 7 4.983 7.827 -11.928
46 HA HIS 7 HA HIS 7 5.795 8.669 -9.437
47 HD1 HIS 7 HD1 HIS 7 7.982 7.304 -12.838
48 HD2 HIS 7 HD2 HIS 7 5.124 4.589 -11.310
49 HE1 HIS 7 HE1 HIS 7 7.297 5.787 -14.783
50 HE2 HIS 7 HE2 HIS 7 5.604 4.102 -13.838
51 HB2 HIS 7 HB2 HIS 7 7.585 6.793 -9.837
52 HB3 HIS 7 HB3 HIS 7 5.903 6.427 -9.610
53 HA PRO 8 HA PRO 8 9.139 11.381 -9.981
54 HB2 PRO 8 HB2 PRO 8 10.786 10.810 -7.849
55 HB3 PRO 8 HB3 PRO 8 9.172 11.574 -7.687
56 HG2 PRO 8 HG2 PRO 8 9.973 8.667 -7.356
57 HG3 PRO 8 HG3 PRO 8 8.937 9.662 -6.278
58 HD2 PRO 8 HD2 PRO 8 7.898 7.973 -8.137
59 HD3 PRO 8 HD3 PRO 8 7.119 9.533 -7.774
60 H LYS 9 H LYS 9 11.333 11.729 -10.512
61 HA LYS 9 HA LYS 9 12.668 9.474 -11.866
62 HB2 LYS 9 HB2 LYS 9 12.591 12.483 -12.080
63 HB3 LYS 9 HB3 LYS 9 14.055 11.676 -12.567
64 HG2 LYS 9 HG2 LYS 9 12.652 12.043 -14.495
65 HG3 LYS 9 HG3 LYS 9 12.839 10.311 -14.206
66 HD2 LYS 9 HD2 LYS 9 10.568 10.168 -13.284
67 HD3 LYS 9 HD3 LYS 9 10.415 11.928 -13.306
68 HE2 LYS 9 HE2 LYS 9 9.173 11.025 -15.161
69 HE3 LYS 9 HE3 LYS 9 10.556 11.934 -15.776
70 HZ1 LYS 9 HZ3 LYS 9 10.250 9.837 -16.930
71 HZ2 LYS 9 HZ1 LYS 9 10.425 8.983 -15.550
72 HZ3 LYS 9 HZ2 LYS 9 11.689 9.833 -16.162
73 HA HYP 10 HA HYP 10 15.791 9.343 -8.776
74 HG HYP 10 HG HYP 10 17.423 9.097 -12.293
75 HB2 HYP 10 HB2 HYP 10 17.989 8.410 -10.078
76 HB3 HYP 10 HB3 HYP 10 16.485 7.475 -9.920
77 HD22 HYP 10 HD3 HYP 10 14.527 8.338 -12.118
78 HD23 HYP 10 HD2 HYP 10 15.302 9.809 -12.777
79 HD1 HYP 10 HOD HYP 10 16.659 7.280 -13.379
80 H ASN 11 H ASN 11 18.271 10.265 -11.078
81 HA ASN 11 HA ASN 11 19.124 12.437 -9.371
82 HB2 ASN 11 HB2 ASN 11 21.107 12.430 -10.624
83 HB3 ASN 11 HB3 ASN 11 20.659 10.751 -10.387
84 HD21 ASN 11 1HD2 ASN 11 22.203 12.487 -12.570
85 HD22 ASN 11 2HD2 ASN 11 21.592 11.806 -14.075
86 H SER 12 H SER 12 16.699 13.132 -10.324
87 HA SER 12 HA SER 12 16.578 14.537 -12.758
88 HG SER 12 HG SER 12 14.132 15.132 -12.949
89 HB2 SER 12 HB2 SER 12 14.675 13.721 -11.266
90 HB3 SER 12 HB3 SER 12 14.990 15.106 -10.217
91 H DPN 13 H DPN 13 17.668 15.513 -9.636
92 HA DPN 13 HA DPN 13 18.753 17.266 -8.734
93 HD1 DPN 13 HD1 DPN 13 14.856 17.685 -10.078
94 HD2 DPN 13 HD2 DPN 13 17.536 19.020 -6.968
95 HE1 DPN 13 HE1 DPN 13 13.113 17.228 -8.376
96 HE2 DPN 13 HE2 DPN 13 15.783 18.571 -5.270
97 HZ DPN 13 HZ DPN 13 13.568 17.674 -5.968
98 HB2 DPN 13 HB2 DPN 13 16.954 18.771 -10.651
99 HB3 DPN 13 HB3 DPN 13 17.961 19.509 -9.435
100 H TRP 14 H TRP 14 19.622 16.240 -11.585
101 HA TRP 14 HA TRP 14 21.979 17.995 -11.808
102 HD1 TRP 14 HD1 TRP 14 20.831 14.924 -9.931
103 HE1 TRP 14 HE1 TRP 14 22.473 14.215 -8.113
104 HE3 TRP 14 HE3 TRP 14 25.163 16.039 -12.352
105 HZ2 TRP 14 HZ2 TRP 14 25.369 14.129 -7.755
106 HZ3 TRP 14 HZ3 TRP 14 27.370 15.650 -11.259
107 HH2 TRP 14 HH2 TRP 14 27.476 14.694 -8.964
108 HB2 TRP 14 HB2 TRP 14 21.335 15.176 -12.777
109 HB3 TRP 14 HB3 TRP 14 22.843 16.030 -13.078
110 H THR 15 H THR 15 18.981 17.900 -13.226
111 HA THR 15 HA THR 15 19.870 19.207 -15.661
112 HB THR 15 HB THR 15 20.121 16.836 -16.183
113 HG1 THR 15 HG1 THR 15 19.131 16.906 -18.129
114 HG21 THR 15 3HG2 THR 15 18.426 15.780 -14.791
115 HG22 THR 15 1HG2 THR 15 18.242 15.312 -16.482
116 HG23 THR 15 2HG2 THR 15 17.130 16.497 -15.768