Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608891 | 2n5w RC | 25737 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 4N3 1 H DVA 1 1.137 2.793 -0.894
2 HA 4N3 1 HA DVA 1 3.875 2.242 -0.254
3 HB 4N3 1 HB DVA 1 2.302 3.368 1.318
4 HG13 4N3 1 HG13 DVA 1 1.516 4.893 -0.707
5 HG11 4N3 1 HG11 DVA 1 2.754 5.963 -0.049
6 HG12 4N3 1 HG12 DVA 1 1.413 5.435 0.969
7 HG22 4N3 1 HG22 DVA 1 3.954 4.653 2.332
8 HG23 4N3 1 HG23 DVA 1 4.607 5.208 0.791
9 HG21 4N3 1 HG21 DVA 1 4.878 3.547 1.317
10 HD2 4N3 1 HD2 DVA 1 2.025 -0.807 -1.991
11 HD1 4N3 1 HD1 DVA 1 2.986 -0.134 -0.653
12 HE1 4N3 1 HE1 DVA 1 0.976 -0.990 0.360
13 HE2 4N3 1 HE2 DVA 1 0.760 0.775 0.287
14 HF2 4N3 1 HF2 DVA 1 -0.227 -1.039 -1.951
15 HF1 4N3 1 HF1 DVA 1 -0.724 0.630 -1.577
16 HH1 4N3 1 HH1 DVA 1 -2.099 -0.028 0.186
17 HH2 4N3 1 HH2 DVA 1 -1.131 -1.479 0.540
18 HI1 4N3 1 HI1 DVA 1 -3.193 -1.060 -1.655
19 HI2 4N3 1 HI2 DVA 1 -1.950 -2.327 -1.798
20 HJ1 4N3 1 HJ1 DVA 1 -2.744 -2.908 0.690
21 HJ2 4N3 1 HJ2 DVA 1 -3.639 -3.527 -0.718
22 HK3 4N3 1 HK3 DVA 1 -5.306 -2.590 0.736
23 HK2 4N3 1 HK2 DVA 1 -5.075 -1.387 -0.555
24 HK1 4N3 1 HK1 DVA 1 -4.330 -1.134 1.041
25 H 4FO 2 H 4FO 2 5.708 3.218 -0.909
26 HA 4FO 2 HA 4FO 2 7.234 4.459 -2.226
27 HB2 4FO 2 HB2 4FO 2 4.948 6.365 -2.983
28 HB3 4FO 2 HB3 4FO 2 5.528 6.277 -1.298
29 HG3 4FO 2 HG3 4FO 2 7.295 7.077 -3.728
30 HG2 4FO 2 HG2 4FO 2 7.840 6.917 -2.020
31 HZ3 4FO 2 HZ3 4FO 2 7.205 9.251 -2.814
32 HZ2 4FO 2 HZ1 4FO 2 5.559 8.741 -2.632
33 HZ1 4FO 2 HZ2 4FO 2 6.636 8.712 -1.322
34 H GLY 3 H GLY 3 7.726 5.124 -4.459
35 HA2 GLY 3 HA2 GLY 3 7.466 3.256 -6.321
36 HA3 GLY 3 HA3 GLY 3 5.920 4.073 -6.497
37 H SER 4 H SER 4 8.633 3.813 -8.049
38 HA SER 4 HA SER 4 9.268 6.627 -8.422
39 HB2 SER 4 HB2 SER 4 10.917 4.564 -8.414
40 HB3 SER 4 HB3 SER 4 10.454 4.461 -10.113
41 HG SER 4 HG SER 4 11.931 5.936 -10.363
42 H TRP 5 H TRP 5 9.856 6.882 -11.026
43 HA TRP 5 HA TRP 5 7.217 6.874 -12.249
44 HB2 TRP 5 HB2 TRP 5 8.291 8.956 -12.476
45 HB3 TRP 5 HB3 TRP 5 9.828 8.214 -12.912
46 HD1 TRP 5 HD1 TRP 5 6.318 7.805 -14.534
47 HE1 TRP 5 HE1 TRP 5 6.554 8.293 -17.050
48 HE3 TRP 5 HE3 TRP 5 11.276 9.046 -14.659
49 HZ2 TRP 5 HZ2 TRP 5 8.574 9.096 -18.850
50 HZ3 TRP 5 HZ3 TRP 5 12.283 9.662 -16.818
51 HH2 TRP 5 HH2 TRP 5 10.959 9.685 -18.869
52 H SER 6 H SER 6 10.429 6.299 -13.673
53 HA SER 6 HA SER 6 9.389 4.585 -15.684
54 HB2 SER 6 HB2 SER 6 11.456 5.933 -15.964
55 HB3 SER 6 HB3 SER 6 12.262 4.903 -14.782
56 HG SER 6 HG SER 6 11.179 4.089 -17.277
57 H DAB 7 H DAB 7 9.045 2.494 -15.735
58 HA DAB 7 HA DAB 7 9.015 0.189 -15.195
59 HB2 DAB 7 HB2 DAB 7 11.000 -0.798 -14.193
60 HB3 DAB 7 HB3 DAB 7 11.443 0.746 -13.418
61 HG2 DAB 7 HG2 DAB 7 11.727 1.632 -15.927
62 HG3 DAB 7 HG3 DAB 7 11.910 -0.112 -16.333
63 HD1 DAB 7 HZ3 DAB 7 14.025 0.019 -15.546
64 HD2 DAB 7 HZ2 DAB 7 13.795 1.672 -15.310
65 HZ1 DAB 7 HZ1 DAB 7 13.498 0.624 -14.011
66 H 4FO 8 H 4FO 8 9.511 -1.268 -13.017
67 HA 4FO 8 HA 4FO 8 8.565 -1.972 -10.957
68 HB2 4FO 8 HB2 4FO 8 6.164 -1.197 -10.598
69 HB3 4FO 8 HB3 4FO 8 6.384 -0.041 -11.939
70 HG3 4FO 8 HG3 4FO 8 6.534 -3.121 -12.330
71 HG2 4FO 8 HG2 4FO 8 6.580 -1.840 -13.594
72 HZ3 4FO 8 HZ3 4FO 8 4.311 -1.132 -12.881
73 HZ2 4FO 8 HZ1 4FO 8 4.361 -2.765 -13.456
74 HZ1 4FO 8 HZ2 4FO 8 4.269 -2.422 -11.798
75 H PHE 9 H PHE 9 7.207 -0.926 -8.964
76 HA PHE 9 HA PHE 9 8.044 1.696 -8.211
77 HB2 PHE 9 HB2 PHE 9 7.065 -0.480 -6.361
78 HB3 PHE 9 HB3 PHE 9 6.984 1.260 -6.111
79 HD1 PHE 9 HD2 PHE 9 5.934 2.231 -8.644
80 HD2 PHE 9 HD1 PHE 9 4.887 -1.236 -6.408
81 HE1 PHE 9 HE2 PHE 9 3.686 2.270 -9.643
82 HE2 PHE 9 HE1 PHE 9 2.638 -1.204 -7.404
83 HZ PHE 9 HZ PHE 9 2.034 0.551 -9.023
84 H GLU 10 H GLU 10 8.999 1.683 -5.743
85 HA GLU 10 HA GLU 10 11.569 0.264 -5.980
86 HB2 GLU 10 HB2 GLU 10 10.868 2.924 -4.747
87 HB3 GLU 10 HB3 GLU 10 12.388 2.106 -4.414
88 HG2 GLU 10 HG2 GLU 10 12.801 2.086 -6.890
89 HG3 GLU 10 HG3 GLU 10 11.399 3.142 -7.054
90 H VAL 11 H VAL 11 8.888 1.033 -3.872
91 HA VAL 11 HA VAL 11 9.996 -0.004 -1.476
92 HB VAL 11 HB VAL 11 7.620 -0.111 -0.694
93 HG11 VAL 11 HG11 VAL 11 9.211 1.987 -0.839
94 HG12 VAL 11 HG12 VAL 11 7.972 2.559 -1.957
95 HG13 VAL 11 HG13 VAL 11 7.539 2.139 -0.299
96 HG21 VAL 11 HG21 VAL 11 6.465 1.404 -2.830
97 HG22 VAL 11 HG22 VAL 11 7.092 -0.120 -3.459
98 HG23 VAL 11 HG23 VAL 11 5.928 -0.125 -2.134
99 H20 28J 12 H 28J 12 8.375 -1.388 -4.220
100 H21 28J 12 HA 28J 12 8.619 -4.171 -3.034
101 H22 28J 12 HB 28J 12 8.630 -5.059 -5.243
102 H23 28J 12 HG21 28J 12 8.464 -2.805 -7.062
103 H24 28J 12 HG22 28J 12 7.315 -4.155 -6.891
104 H25 28J 12 HG23 28J 12 7.074 -2.654 -5.932
105 H26 28J 12 HG12 28J 12 10.310 -2.461 -5.223
106 H27 28J 12 HG13 28J 12 10.764 -4.036 -4.496
107 H28 28J 12 HD13 28J 12 11.428 -3.208 -7.119
108 H29 28J 12 HD11 28J 12 11.500 -4.883 -6.492
109 H30 28J 12 HD12 28J 12 10.040 -4.331 -7.385
110 H ALA 13 H ALA 13 6.562 -2.235 -2.331
111 HA ALA 13 HA ALA 13 4.363 -2.338 -1.742
112 HB1 ALA 13 HB1 ALA 13 4.032 -1.556 -3.997
113 HB2 ALA 13 HB2 ALA 13 4.116 -3.205 -4.619
114 HB3 ALA 13 HB3 ALA 13 2.767 -2.718 -3.593
Start of MODEL 2
1 H1 4N3 1 H DVA 1 2.948 2.395 -1.268
2 HA 4N3 1 HA DVA 1 5.135 2.936 0.611
3 HB 4N3 1 HB DVA 1 2.714 4.722 0.346
4 HG13 4N3 1 HG13 DVA 1 3.830 5.697 2.471
5 HG11 4N3 1 HG11 DVA 1 4.474 6.127 0.886
6 HG12 4N3 1 HG12 DVA 1 5.285 4.903 1.865
7 HG22 4N3 1 HG22 DVA 1 2.120 2.685 1.529
8 HG23 4N3 1 HG23 DVA 1 2.196 4.041 2.654
9 HG21 4N3 1 HG21 DVA 1 3.516 2.874 2.591
10 HD2 4N3 1 HD2 DVA 1 2.558 0.220 -1.695
11 HD1 4N3 1 HD1 DVA 1 3.312 -1.018 -0.664
12 HE1 4N3 1 HE1 DVA 1 1.612 -0.858 0.982
13 HE2 4N3 1 HE2 DVA 1 1.088 0.746 0.417
14 HF2 4N3 1 HF2 DVA 1 0.624 -1.959 -0.911
15 HF1 4N3 1 HF1 DVA 1 0.418 -0.425 -1.790
16 HH1 4N3 1 HH1 DVA 1 -0.935 -0.847 0.894
17 HH2 4N3 1 HH2 DVA 1 -1.673 -1.485 -0.595
18 HI1 4N3 1 HI1 DVA 1 -0.869 1.429 -0.121
19 HI2 4N3 1 HI2 DVA 1 -1.622 0.786 -1.600
20 HJ1 4N3 1 HJ1 DVA 1 -2.830 1.050 1.179
21 HJ2 4N3 1 HJ2 DVA 1 -3.514 -0.070 -0.022
22 HK3 4N3 1 HK3 DVA 1 -4.002 2.726 0.197
23 HK2 4N3 1 HK2 DVA 1 -4.533 1.640 -1.110
24 HK1 4N3 1 HK1 DVA 1 -2.992 2.519 -1.254
25 H 4FO 2 H 4FO 2 5.996 2.607 -1.706
26 HA 4FO 2 HA 4FO 2 7.296 3.573 -3.432
27 HB2 4FO 2 HB2 4FO 2 6.611 6.365 -2.364
28 HB3 4FO 2 HB3 4FO 2 7.579 5.247 -1.366
29 HG3 4FO 2 HG3 4FO 2 8.452 6.055 -4.234
30 HG2 4FO 2 HG2 4FO 2 9.388 5.164 -2.981
31 HZ3 4FO 2 HZ3 4FO 2 9.375 7.916 -3.341
32 HZ2 4FO 2 HZ1 4FO 2 8.527 7.639 -1.857
33 HZ1 4FO 2 HZ2 4FO 2 10.082 7.013 -2.107
34 H GLY 3 H GLY 3 7.095 4.539 -5.463
35 HA2 GLY 3 HA2 GLY 3 4.942 4.245 -6.941
36 HA3 GLY 3 HA3 GLY 3 4.511 5.743 -6.129
37 H SER 4 H SER 4 7.602 4.584 -7.455
38 HA SER 4 HA SER 4 8.359 7.081 -8.477
39 HB2 SER 4 HB2 SER 4 9.726 4.858 -8.069
40 HB3 SER 4 HB3 SER 4 9.350 4.570 -9.767
41 HG SER 4 HG SER 4 10.582 6.916 -8.749
42 H TRP 5 H TRP 5 8.832 7.475 -10.846
43 HA TRP 5 HA TRP 5 6.364 7.065 -12.329
44 HB2 TRP 5 HB2 TRP 5 7.079 9.307 -12.404
45 HB3 TRP 5 HB3 TRP 5 8.756 8.854 -12.698
46 HD1 TRP 5 HD1 TRP 5 5.542 7.915 -14.673
47 HE1 TRP 5 HE1 TRP 5 5.930 8.530 -17.142
48 HE3 TRP 5 HE3 TRP 5 10.199 9.984 -14.272
49 HZ2 TRP 5 HZ2 TRP 5 7.945 9.732 -18.712
50 HZ3 TRP 5 HZ3 TRP 5 11.288 10.843 -16.305
51 HH2 TRP 5 HH2 TRP 5 10.182 10.718 -18.478
52 H SER 6 H SER 6 9.749 7.098 -13.433
53 HA SER 6 HA SER 6 9.219 5.310 -15.574
54 HB2 SER 6 HB2 SER 6 11.607 5.389 -15.997
55 HB3 SER 6 HB3 SER 6 11.044 7.010 -15.589
56 HG SER 6 HG SER 6 12.807 5.379 -14.270
57 H DAB 7 H DAB 7 10.083 3.228 -15.935
58 HA DAB 7 HA DAB 7 10.592 0.971 -15.432
59 HB2 DAB 7 HB2 DAB 7 12.120 0.524 -13.548
60 HB3 DAB 7 HB3 DAB 7 11.701 2.088 -12.799
61 HG2 DAB 7 HG2 DAB 7 12.989 3.364 -14.354
62 HG3 DAB 7 HG3 DAB 7 13.164 2.010 -15.527
63 HD1 DAB 7 HZ3 DAB 7 14.641 2.602 -13.026
64 HD2 DAB 7 HZ2 DAB 7 14.270 0.977 -13.276
65 HZ1 DAB 7 HZ1 DAB 7 15.170 1.790 -14.461
66 H 4FO 8 H 4FO 8 10.442 -0.690 -13.512
67 HA 4FO 8 HA 4FO 8 8.943 -2.015 -12.244
68 HB2 4FO 8 HB2 4FO 8 6.518 -1.736 -12.732
69 HB3 4FO 8 HB3 4FO 8 6.833 -0.126 -13.432
70 HG3 4FO 8 HG3 4FO 8 8.078 -1.186 -15.378
71 HG2 4FO 8 HG2 4FO 8 6.368 -1.724 -15.220
72 HZ3 4FO 8 HZ3 4FO 8 6.957 -3.841 -14.878
73 HZ2 4FO 8 HZ1 4FO 8 8.543 -3.402 -15.417
74 HZ1 4FO 8 HZ2 4FO 8 8.158 -3.440 -13.766
75 H PHE 9 H PHE 9 6.963 -1.779 -10.656
76 HA PHE 9 HA PHE 9 6.848 0.660 -9.168
77 HB2 PHE 9 HB2 PHE 9 5.940 -2.066 -8.239
78 HB3 PHE 9 HB3 PHE 9 5.360 -0.496 -7.693
79 HD1 PHE 9 HD2 PHE 9 4.890 0.928 -10.184
80 HD2 PHE 9 HD1 PHE 9 4.134 -3.140 -9.187
81 HE1 PHE 9 HE2 PHE 9 3.099 0.852 -11.869
82 HE2 PHE 9 HE1 PHE 9 2.342 -3.223 -10.871
83 HZ PHE 9 HZ PHE 9 1.822 -1.226 -12.214
84 H GLU 10 H GLU 10 7.875 1.231 -7.314
85 HA GLU 10 HA GLU 10 9.855 -0.669 -6.240
86 HB2 GLU 10 HB2 GLU 10 10.713 1.353 -7.615
87 HB3 GLU 10 HB3 GLU 10 10.271 2.306 -6.205
88 HG2 GLU 10 HG2 GLU 10 12.502 1.871 -5.841
89 HG3 GLU 10 HG3 GLU 10 11.709 0.614 -4.893
90 H VAL 11 H VAL 11 7.088 -0.046 -5.393
91 HA VAL 11 HA VAL 11 7.088 1.581 -3.092
92 HB VAL 11 HB VAL 11 5.026 0.303 -2.455
93 HG11 VAL 11 HG11 VAL 11 4.289 2.059 -3.643
94 HG12 VAL 11 HG12 VAL 11 5.472 1.813 -4.929
95 HG13 VAL 11 HG13 VAL 11 3.985 0.864 -4.904
96 HG21 VAL 11 HG21 VAL 11 4.852 -1.038 -5.045
97 HG22 VAL 11 HG22 VAL 11 6.099 -1.699 -3.987
98 HG23 VAL 11 HG23 VAL 11 4.426 -1.620 -3.435
99 H20 28J 12 H 28J 12 8.214 -1.608 -3.712
100 H21 28J 12 HA 28J 12 9.539 -2.017 -1.163
101 H22 28J 12 HB 28J 12 9.894 -4.319 -1.866
102 H23 28J 12 HG21 28J 12 8.789 -5.278 -3.936
103 H24 28J 12 HG22 28J 12 7.595 -4.904 -2.669
104 H25 28J 12 HG23 28J 12 7.773 -3.803 -4.077
105 H26 28J 12 HG12 28J 12 10.029 -2.476 -4.346
106 H27 28J 12 HG13 28J 12 11.162 -2.405 -2.958
107 H28 28J 12 HD13 28J 12 10.758 -5.010 -4.587
108 H29 28J 12 HD11 28J 12 11.971 -3.765 -5.010
109 H30 28J 12 HD12 28J 12 12.078 -4.608 -3.425
110 H ALA 13 H ALA 13 6.250 -2.562 -2.121
111 HA ALA 13 HA ALA 13 4.410 -3.179 -0.932
112 HB1 ALA 13 HB1 ALA 13 5.924 -5.318 -0.876
113 HB2 ALA 13 HB2 ALA 13 6.043 -4.931 0.841
114 HB3 ALA 13 HB3 ALA 13 4.465 -5.223 0.109
Start of MODEL 3
1 H1 4N3 1 H DVA 1 1.964 3.665 -0.841
2 HA 4N3 1 HA DVA 1 4.523 2.453 -0.123
3 HB 4N3 1 HB DVA 1 3.359 5.087 0.789
4 HG13 4N3 1 HG13 DVA 1 5.039 4.449 2.729
5 HG11 4N3 1 HG11 DVA 1 5.572 5.319 1.290
6 HG12 4N3 1 HG12 DVA 1 5.841 3.579 1.418
7 HG22 4N3 1 HG22 DVA 1 2.996 3.748 2.940
8 HG23 4N3 1 HG23 DVA 1 3.172 2.315 1.928
9 HG21 4N3 1 HG21 DVA 1 1.877 3.468 1.606
10 HD2 4N3 1 HD2 DVA 1 2.685 -0.260 -1.436
11 HD1 4N3 1 HD1 DVA 1 3.719 0.627 -0.291
12 HE1 4N3 1 HE1 DVA 1 2.032 -0.083 1.161
13 HE2 4N3 1 HE2 DVA 1 1.346 1.473 0.636
14 HF2 4N3 1 HF2 DVA 1 0.605 -1.334 -0.260
15 HF1 4N3 1 HF1 DVA 1 0.263 0.068 -1.304
16 HH1 4N3 1 HH1 DVA 1 -0.533 0.197 1.608
17 HH2 4N3 1 HH2 DVA 1 -1.536 -0.755 0.488
18 HI1 4N3 1 HI1 DVA 1 -0.720 2.147 -0.016
19 HI2 4N3 1 HI2 DVA 1 -1.894 1.184 -0.945
20 HJ1 4N3 1 HJ1 DVA 1 -3.139 0.918 1.350
21 HJ2 4N3 1 HJ2 DVA 1 -3.274 2.471 0.491
22 HK3 4N3 1 HK3 DVA 1 -0.914 2.697 2.033
23 HK2 4N3 1 HK2 DVA 1 -2.089 1.903 3.110
24 HK1 4N3 1 HK1 DVA 1 -2.480 3.474 2.369
25 H 4FO 2 H 4FO 2 5.439 2.533 -2.211
26 HA 4FO 2 HA 4FO 2 7.015 3.396 -3.752
27 HB2 4FO 2 HB2 4FO 2 8.404 5.222 -3.072
28 HB3 4FO 2 HB3 4FO 2 7.080 5.988 -2.154
29 HG3 4FO 2 HG3 4FO 2 8.609 3.446 -1.221
30 HG2 4FO 2 HG2 4FO 2 7.257 4.264 -0.360
31 HZ3 4FO 2 HZ3 4FO 2 10.035 4.993 -0.371
32 HZ2 4FO 2 HZ1 4FO 2 9.020 6.328 -0.801
33 HZ1 4FO 2 HZ2 4FO 2 8.765 5.461 0.633
34 H GLY 3 H GLY 3 6.297 3.881 -5.687
35 HA2 GLY 3 HA2 GLY 3 4.507 4.805 -7.050
36 HA3 GLY 3 HA3 GLY 3 4.496 6.202 -5.983
37 H SER 4 H SER 4 6.498 4.470 -8.340
38 HA SER 4 HA SER 4 7.907 6.990 -8.902
39 HB2 SER 4 HB2 SER 4 9.340 5.075 -8.275
40 HB3 SER 4 HB3 SER 4 8.698 4.161 -9.639
41 HG SER 4 HG SER 4 10.624 5.105 -10.262
42 H TRP 5 H TRP 5 8.449 7.416 -11.180
43 HA TRP 5 HA TRP 5 6.124 6.918 -12.856
44 HB2 TRP 5 HB2 TRP 5 6.752 9.187 -12.868
45 HB3 TRP 5 HB3 TRP 5 8.463 8.802 -13.028
46 HD1 TRP 5 HD1 TRP 5 5.457 7.748 -15.257
47 HE1 TRP 5 HE1 TRP 5 6.017 8.391 -17.685
48 HE3 TRP 5 HE3 TRP 5 9.981 9.999 -14.479
49 HZ2 TRP 5 HZ2 TRP 5 8.100 9.681 -19.086
50 HZ3 TRP 5 HZ3 TRP 5 11.193 10.911 -16.416
51 HH2 TRP 5 HH2 TRP 5 10.271 10.754 -18.671
52 H SER 6 H SER 6 9.582 7.092 -13.685
53 HA SER 6 HA SER 6 9.295 5.294 -15.865
54 HB2 SER 6 HB2 SER 6 11.042 7.055 -15.764
55 HB3 SER 6 HB3 SER 6 11.833 6.167 -14.462
56 HG SER 6 HG SER 6 12.846 5.497 -16.272
57 H DAB 7 H DAB 7 10.799 3.376 -16.092
58 HA DAB 7 HA DAB 7 11.260 1.112 -15.530
59 HB2 DAB 7 HB2 DAB 7 12.994 2.591 -14.195
60 HB3 DAB 7 HB3 DAB 7 12.792 0.854 -13.839
61 HG2 DAB 7 HG2 DAB 7 11.251 1.540 -11.868
62 HG3 DAB 7 HG3 DAB 7 11.843 3.225 -12.086
63 HD1 DAB 7 HZ3 DAB 7 13.903 2.627 -11.240
64 HD2 DAB 7 HZ2 DAB 7 12.975 1.431 -10.499
65 HZ1 DAB 7 HZ1 DAB 7 13.857 1.022 -11.888
66 H 4FO 8 H 4FO 8 11.093 -0.476 -13.475
67 HA 4FO 8 HA 4FO 8 9.596 -1.925 -12.351
68 HB2 4FO 8 HB2 4FO 8 7.349 -2.119 -13.230
69 HB3 4FO 8 HB3 4FO 8 7.339 -0.412 -13.750
70 HG3 4FO 8 HG3 4FO 8 8.475 -0.848 -15.786
71 HG2 4FO 8 HG2 4FO 8 7.529 -2.359 -15.540
72 HZ3 4FO 8 HZ3 4FO 8 9.364 -3.603 -15.222
73 HZ2 4FO 8 HZ1 4FO 8 10.205 -2.307 -16.004
74 HZ1 4FO 8 HZ2 4FO 8 10.156 -2.426 -14.313
75 H PHE 9 H PHE 9 7.743 -1.996 -10.820
76 HA PHE 9 HA PHE 9 6.966 0.500 -9.596
77 HB2 PHE 9 HB2 PHE 9 6.471 -2.293 -8.556
78 HB3 PHE 9 HB3 PHE 9 5.587 -0.826 -8.147
79 HD1 PHE 9 HD2 PHE 9 5.094 0.375 -10.753
80 HD2 PHE 9 HD1 PHE 9 4.950 -3.708 -9.558
81 HE1 PHE 9 HE2 PHE 9 3.487 -0.092 -12.556
82 HE2 PHE 9 HE1 PHE 9 3.342 -4.182 -11.359
83 HZ PHE 9 HZ PHE 9 2.608 -2.373 -12.861
84 H GLU 10 H GLU 10 7.623 1.306 -7.640
85 HA GLU 10 HA GLU 10 9.784 -0.132 -6.256
86 HB2 GLU 10 HB2 GLU 10 10.542 1.812 -7.756
87 HB3 GLU 10 HB3 GLU 10 9.776 2.861 -6.571
88 HG2 GLU 10 HG2 GLU 10 11.924 2.858 -5.809
89 HG3 GLU 10 HG3 GLU 10 11.248 1.524 -4.876
90 H VAL 11 H VAL 11 7.355 -0.480 -5.295
91 HA VAL 11 HA VAL 11 7.006 1.485 -3.131
92 HB VAL 11 HB VAL 11 4.748 0.386 -2.839
93 HG11 VAL 11 HG11 VAL 11 4.187 2.268 -3.881
94 HG12 VAL 11 HG12 VAL 11 5.655 2.233 -4.860
95 HG13 VAL 11 HG13 VAL 11 4.216 1.364 -5.395
96 HG21 VAL 11 HG21 VAL 11 5.435 -0.819 -5.518
97 HG22 VAL 11 HG22 VAL 11 5.252 -1.705 -4.005
98 HG23 VAL 11 HG23 VAL 11 3.862 -0.891 -4.724
99 H20 28J 12 H 28J 12 7.453 -1.895 -3.914
100 H21 28J 12 HA 28J 12 7.983 -2.545 -0.998
101 H22 28J 12 HB 28J 12 9.299 -4.399 -1.698
102 H23 28J 12 HG21 28J 12 9.359 -4.500 -4.551
103 H24 28J 12 HG22 28J 12 8.557 -5.667 -3.470
104 H25 28J 12 HG23 28J 12 7.616 -4.300 -4.160
105 H26 28J 12 HG12 28J 12 10.058 -2.371 -3.868
106 H27 28J 12 HG13 28J 12 10.098 -1.890 -2.141
107 H28 28J 12 HD13 28J 12 11.486 -4.524 -2.756
108 H29 28J 12 HD11 28J 12 12.238 -3.052 -3.442
109 H30 28J 12 HD12 28J 12 11.973 -3.170 -1.668
110 H ALA 13 H ALA 13 5.346 -2.164 -2.009
111 HA ALA 13 HA ALA 13 3.285 -3.087 -1.724
112 HB1 ALA 13 HB1 ALA 13 4.159 -4.336 -3.776
113 HB2 ALA 13 HB2 ALA 13 4.421 -5.695 -2.681
114 HB3 ALA 13 HB3 ALA 13 2.797 -5.046 -2.908
Start of MODEL 4
1 H1 4N3 1 H DVA 1 2.961 2.183 -1.781
2 HA 4N3 1 HA DVA 1 3.681 3.835 0.524
3 HB 4N3 1 HB DVA 1 2.021 5.560 -0.120
4 HG13 4N3 1 HG13 DVA 1 0.213 4.596 1.041
5 HG11 4N3 1 HG11 DVA 1 1.653 3.789 1.662
6 HG12 4N3 1 HG12 DVA 1 0.620 2.971 0.487
7 HG22 4N3 1 HG22 DVA 1 0.893 5.423 -2.029
8 HG23 4N3 1 HG23 DVA 1 0.158 3.907 -1.506
9 HG21 4N3 1 HG21 DVA 1 1.691 3.889 -2.378
10 HD2 4N3 1 HD2 DVA 1 2.474 -0.025 -1.423
11 HD1 4N3 1 HD1 DVA 1 4.032 -0.348 -0.626
12 HE1 4N3 1 HE1 DVA 1 2.328 -1.954 0.171
13 HE2 4N3 1 HE2 DVA 1 2.805 -0.869 1.498
14 HF2 4N3 1 HF2 DVA 1 0.402 -0.284 -0.286
15 HF1 4N3 1 HF1 DVA 1 0.794 0.425 1.299
16 HH1 4N3 1 HH1 DVA 1 0.401 -2.568 1.066
17 HH2 4N3 1 HH2 DVA 1 -1.023 -1.502 1.135
18 HI1 4N3 1 HI1 DVA 1 0.112 -2.456 3.377
19 HI2 4N3 1 HI2 DVA 1 1.179 -1.050 3.145
20 HJ1 4N3 1 HJ1 DVA 1 -1.875 -0.995 3.306
21 HJ2 4N3 1 HJ2 DVA 1 -0.848 0.421 2.979
22 HK3 4N3 1 HK3 DVA 1 -0.301 0.652 5.178
23 HK2 4N3 1 HK2 DVA 1 0.038 -1.086 5.354
24 HK1 4N3 1 HK1 DVA 1 -1.630 -0.483 5.515
25 H 4FO 2 H 4FO 2 5.059 2.830 -1.847
26 HA 4FO 2 HA 4FO 2 6.757 3.589 -3.311
27 HB2 4FO 2 HB2 4FO 2 7.784 5.679 -2.867
28 HB3 4FO 2 HB3 4FO 2 6.227 6.457 -2.474
29 HG3 4FO 2 HG3 4FO 2 7.683 4.473 -0.573
30 HG2 4FO 2 HG2 4FO 2 6.152 5.363 -0.256
31 HZ3 4FO 2 HZ3 4FO 2 8.701 6.824 -0.862
32 HZ2 4FO 2 HZ1 4FO 2 7.237 7.425 -0.161
33 HZ1 4FO 2 HZ2 4FO 2 8.237 6.352 0.688
34 H GLY 3 H GLY 3 6.970 4.337 -5.382
35 HA2 GLY 3 HA2 GLY 3 5.234 4.316 -7.257
36 HA3 GLY 3 HA3 GLY 3 4.664 5.795 -6.499
37 H SER 4 H SER 4 7.011 4.366 -8.572
38 HA SER 4 HA SER 4 8.243 7.013 -8.983
39 HB2 SER 4 HB2 SER 4 10.301 5.917 -9.610
40 HB3 SER 4 HB3 SER 4 9.787 5.271 -8.052
41 HG SER 4 HG SER 4 10.113 3.999 -10.435
42 H TRP 5 H TRP 5 9.300 7.102 -11.261
43 HA TRP 5 HA TRP 5 7.175 6.517 -13.159
44 HB2 TRP 5 HB2 TRP 5 7.955 8.729 -13.358
45 HB3 TRP 5 HB3 TRP 5 9.643 8.237 -13.243
46 HD1 TRP 5 HD1 TRP 5 6.872 7.069 -15.708
47 HE1 TRP 5 HE1 TRP 5 7.772 7.367 -18.100
48 HE3 TRP 5 HE3 TRP 5 11.408 9.157 -14.613
49 HZ2 TRP 5 HZ2 TRP 5 10.098 8.356 -19.358
50 HZ3 TRP 5 HZ3 TRP 5 12.912 9.749 -16.468
51 HH2 TRP 5 HH2 TRP 5 12.269 9.356 -18.791
52 H SER 6 H SER 6 10.713 6.400 -13.539
53 HA SER 6 HA SER 6 10.581 4.363 -15.511
54 HB2 SER 6 HB2 SER 6 12.425 6.081 -15.250
55 HB3 SER 6 HB3 SER 6 13.016 5.126 -13.891
56 HG SER 6 HG SER 6 12.569 3.958 -16.420
57 H DAB 7 H DAB 7 11.553 2.263 -15.415
58 HA DAB 7 HA DAB 7 11.758 0.062 -14.554
59 HB2 DAB 7 HB2 DAB 7 12.879 -0.089 -12.273
60 HB3 DAB 7 HB3 DAB 7 12.655 1.672 -12.093
61 HG2 DAB 7 HG2 DAB 7 14.141 2.008 -14.167
62 HG3 DAB 7 HG3 DAB 7 14.569 0.261 -14.086
63 HD1 DAB 7 HZ3 DAB 7 15.712 2.413 -12.673
64 HD2 DAB 7 HZ2 DAB 7 14.811 1.573 -11.524
65 HZ1 DAB 7 HZ1 DAB 7 16.001 0.730 -12.389
66 H 4FO 8 H 4FO 8 9.184 0.941 -14.565
67 HA 4FO 8 HA 4FO 8 7.762 -0.759 -12.697
68 HB2 4FO 8 HB2 4FO 8 5.719 0.547 -13.393
69 HB3 4FO 8 HB3 4FO 8 6.779 1.759 -14.162
70 HG3 4FO 8 HG3 4FO 8 6.910 -1.144 -15.186
71 HG2 4FO 8 HG2 4FO 8 7.294 0.409 -16.010
72 HZ3 4FO 8 HZ3 4FO 8 4.754 -0.950 -15.881
73 HZ2 4FO 8 HZ1 4FO 8 4.637 0.720 -15.438
74 HZ1 4FO 8 HZ2 4FO 8 5.326 0.251 -16.914
75 H PHE 9 H PHE 9 6.840 -0.433 -10.758
76 HA PHE 9 HA PHE 9 7.038 2.210 -9.518
77 HB2 PHE 9 HB2 PHE 9 5.660 -0.229 -8.394
78 HB3 PHE 9 HB3 PHE 9 5.436 1.451 -7.917
79 HD1 PHE 9 HD2 PHE 9 5.120 2.808 -10.473
80 HD2 PHE 9 HD1 PHE 9 3.616 -0.957 -9.177
81 HE1 PHE 9 HE2 PHE 9 3.254 3.010 -12.063
82 HE2 PHE 9 HE1 PHE 9 1.748 -0.762 -10.766
83 HZ PHE 9 HZ PHE 9 1.564 1.224 -12.211
84 H GLU 10 H GLU 10 7.605 2.224 -7.146
85 HA GLU 10 HA GLU 10 9.720 0.264 -6.553
86 HB2 GLU 10 HB2 GLU 10 10.456 2.642 -7.324
87 HB3 GLU 10 HB3 GLU 10 9.964 3.132 -5.709
88 HG2 GLU 10 HG2 GLU 10 12.274 2.731 -5.592
89 HG3 GLU 10 HG3 GLU 10 11.503 1.345 -4.824
90 H VAL 11 H VAL 11 6.892 0.521 -5.687
91 HA VAL 11 HA VAL 11 6.741 1.487 -3.046
92 HB VAL 11 HB VAL 11 4.742 -0.028 -2.847
93 HG11 VAL 11 HG11 VAL 11 5.121 2.295 -4.370
94 HG12 VAL 11 HG12 VAL 11 4.081 1.244 -5.335
95 HG13 VAL 11 HG13 VAL 11 3.611 1.686 -3.693
96 HG21 VAL 11 HG21 VAL 11 4.758 -0.597 -5.725
97 HG22 VAL 11 HG22 VAL 11 5.947 -1.501 -4.788
98 HG23 VAL 11 HG23 VAL 11 4.236 -1.600 -4.372
99 H20 28J 12 H 28J 12 8.012 -1.404 -4.429
100 H21 28J 12 HA 28J 12 9.372 -2.396 -2.087
101 H22 28J 12 HB 28J 12 9.938 -3.070 -4.413
102 H23 28J 12 HG21 28J 12 10.816 -4.524 -2.655
103 H24 28J 12 HG22 28J 12 9.241 -5.312 -2.390
104 H25 28J 12 HG23 28J 12 10.148 -5.623 -3.910
105 H26 28J 12 HG12 28J 12 7.308 -4.698 -4.316
106 H27 28J 12 HG13 28J 12 7.596 -3.214 -5.282
107 H28 28J 12 HD13 28J 12 8.690 -6.035 -5.753
108 H29 28J 12 HD11 28J 12 8.007 -4.852 -6.910
109 H30 28J 12 HD12 28J 12 9.678 -4.622 -6.287
110 H ALA 13 H ALA 13 6.057 -2.805 -3.080
111 HA ALA 13 HA ALA 13 4.252 -3.631 -1.963
112 HB1 ALA 13 HB1 ALA 13 4.710 -5.866 -0.763
113 HB2 ALA 13 HB2 ALA 13 4.929 -5.786 -2.511
114 HB3 ALA 13 HB3 ALA 13 6.331 -5.723 -1.443
Start of MODEL 5
1 H1 4N3 1 H DVA 1 3.583 2.683 -0.977
2 HA 4N3 1 HA DVA 1 5.256 3.193 1.377
3 HB 4N3 1 HB DVA 1 4.202 5.447 1.623
4 HG13 4N3 1 HG13 DVA 1 2.848 2.878 2.225
5 HG11 4N3 1 HG11 DVA 1 1.942 4.364 2.510
6 HG12 4N3 1 HG12 DVA 1 3.490 4.106 3.318
7 HG22 4N3 1 HG22 DVA 1 1.729 4.553 0.298
8 HG23 4N3 1 HG23 DVA 1 3.059 4.975 -0.780
9 HG21 4N3 1 HG21 DVA 1 2.459 6.156 0.385
10 HD2 4N3 1 HD2 DVA 1 2.813 0.676 -1.319
11 HD1 4N3 1 HD1 DVA 1 3.606 -0.627 -0.403
12 HE1 4N3 1 HE1 DVA 1 1.367 -1.026 0.153
13 HE2 4N3 1 HE2 DVA 1 1.833 0.073 1.473
14 HF2 4N3 1 HF2 DVA 1 0.828 1.306 -1.086
15 HF1 4N3 1 HF1 DVA 1 0.631 1.862 0.594
16 HH1 4N3 1 HH1 DVA 1 -1.541 1.085 -0.114
17 HH2 4N3 1 HH2 DVA 1 -0.888 -0.180 0.953
18 HI1 4N3 1 HI1 DVA 1 0.096 -1.090 -1.395
19 HI2 4N3 1 HI2 DVA 1 -1.535 -1.522 -0.828
20 HJ1 4N3 1 HJ1 DVA 1 -2.149 0.796 -2.068
21 HJ2 4N3 1 HJ2 DVA 1 -2.087 -0.750 -2.948
22 HK3 4N3 1 HK3 DVA 1 -0.071 1.511 -2.911
23 HK2 4N3 1 HK2 DVA 1 -0.733 0.619 -4.302
24 HK1 4N3 1 HK1 DVA 1 0.478 -0.149 -3.246
25 H 4FO 2 H 4FO 2 6.098 2.629 -1.206
26 HA 4FO 2 HA 4FO 2 7.750 3.351 -2.740
27 HB2 4FO 2 HB2 4FO 2 7.853 5.947 -1.067
28 HB3 4FO 2 HB3 4FO 2 8.585 4.408 -0.539
29 HG3 4FO 2 HG3 4FO 2 9.433 5.675 -3.232
30 HG2 4FO 2 HG2 4FO 2 10.262 4.432 -2.229
31 HZ3 4FO 2 HZ3 4FO 2 10.841 6.023 -0.578
32 HZ2 4FO 2 HZ1 4FO 2 11.193 6.781 -2.094
33 HZ1 4FO 2 HZ2 4FO 2 9.805 7.191 -1.212
34 H GLY 3 H GLY 3 7.887 4.447 -4.657
35 HA2 GLY 3 HA2 GLY 3 5.732 5.205 -6.033
36 HA3 GLY 3 HA3 GLY 3 6.100 6.688 -5.164
37 H SER 4 H SER 4 6.329 5.493 -8.079
38 HA SER 4 HA SER 4 8.543 7.166 -8.813
39 HB2 SER 4 HB2 SER 4 10.059 5.569 -9.607
40 HB3 SER 4 HB3 SER 4 9.512 4.866 -8.085
41 HG SER 4 HG SER 4 7.915 3.727 -9.438
42 H TRP 5 H TRP 5 8.744 7.425 -11.118
43 HA TRP 5 HA TRP 5 6.194 7.025 -12.459
44 HB2 TRP 5 HB2 TRP 5 6.988 9.227 -12.711
45 HB3 TRP 5 HB3 TRP 5 8.631 8.689 -13.048
46 HD1 TRP 5 HD1 TRP 5 5.295 7.759 -14.815
47 HE1 TRP 5 HE1 TRP 5 5.590 8.201 -17.333
48 HE3 TRP 5 HE3 TRP 5 10.041 9.659 -14.755
49 HZ2 TRP 5 HZ2 TRP 5 7.573 9.219 -19.065
50 HZ3 TRP 5 HZ3 TRP 5 11.064 10.343 -16.885
51 HH2 TRP 5 HH2 TRP 5 9.854 10.127 -18.995
52 H SER 6 H SER 6 9.522 6.852 -13.712
53 HA SER 6 HA SER 6 8.831 4.964 -15.714
54 HB2 SER 6 HB2 SER 6 11.377 6.171 -14.716
55 HB3 SER 6 HB3 SER 6 11.469 4.738 -15.740
56 HG SER 6 HG SER 6 11.515 6.679 -16.959
57 H DAB 7 H DAB 7 10.013 2.882 -15.992
58 HA DAB 7 HA DAB 7 10.306 0.615 -15.337
59 HB2 DAB 7 HB2 DAB 7 12.401 1.945 -14.432
60 HB3 DAB 7 HB3 DAB 7 12.071 0.272 -13.907
61 HG2 DAB 7 HG2 DAB 7 10.985 1.260 -11.770
62 HG3 DAB 7 HG3 DAB 7 11.711 2.845 -12.219
63 HD1 DAB 7 HZ3 DAB 7 12.915 0.570 -10.954
64 HD2 DAB 7 HZ2 DAB 7 13.684 0.812 -12.434
65 HZ1 DAB 7 HZ1 DAB 7 13.646 2.095 -11.325
66 H 4FO 8 H 4FO 8 10.342 -0.799 -13.136
67 HA 4FO 8 HA 4FO 8 8.928 -1.970 -11.640
68 HB2 4FO 8 HB2 4FO 8 6.446 -1.754 -12.061
69 HB3 4FO 8 HB3 4FO 8 6.769 -0.347 -13.109
70 HG3 4FO 8 HG3 4FO 8 7.491 -1.662 -14.942
71 HG2 4FO 8 HG2 4FO 8 6.273 -2.734 -14.163
72 HZ3 4FO 8 HZ3 4FO 8 9.243 -2.975 -13.760
73 HZ2 4FO 8 HZ1 4FO 8 8.019 -3.988 -13.070
74 HZ1 4FO 8 HZ2 4FO 8 8.267 -3.932 -14.746
75 H PHE 9 H PHE 9 6.925 -1.530 -10.078
76 HA PHE 9 HA PHE 9 6.922 1.108 -8.924
77 HB2 PHE 9 HB2 PHE 9 5.753 -1.405 -7.725
78 HB3 PHE 9 HB3 PHE 9 5.297 0.261 -7.386
79 HD1 PHE 9 HD2 PHE 9 5.033 1.410 -10.048
80 HD2 PHE 9 HD1 PHE 9 3.879 -2.423 -8.602
81 HE1 PHE 9 HE2 PHE 9 3.290 1.286 -11.780
82 HE2 PHE 9 HE1 PHE 9 2.135 -2.555 -10.333
83 HZ PHE 9 HZ PHE 9 1.838 -0.698 -11.924
84 H GLU 10 H GLU 10 8.017 1.822 -7.179
85 HA GLU 10 HA GLU 10 9.924 -0.051 -5.950
86 HB2 GLU 10 HB2 GLU 10 10.020 2.953 -6.252
87 HB3 GLU 10 HB3 GLU 10 11.176 2.028 -5.303
88 HG2 GLU 10 HG2 GLU 10 10.684 1.564 -8.231
89 HG3 GLU 10 HG3 GLU 10 11.927 2.647 -7.606
90 H VAL 11 H VAL 11 7.331 -0.130 -5.012
91 HA VAL 11 HA VAL 11 7.390 1.388 -2.496
92 HB VAL 11 HB VAL 11 5.000 0.631 -2.273
93 HG11 VAL 11 HG11 VAL 11 6.131 2.609 -4.037
94 HG12 VAL 11 HG12 VAL 11 4.558 2.066 -4.624
95 HG13 VAL 11 HG13 VAL 11 4.716 2.716 -2.992
96 HG21 VAL 11 HG21 VAL 11 4.821 0.095 -5.159
97 HG22 VAL 11 HG22 VAL 11 5.606 -1.165 -4.206
98 HG23 VAL 11 HG23 VAL 11 3.966 -0.652 -3.810
99 H20 28J 12 H 28J 12 7.613 -1.759 -3.880
100 H21 28J 12 HA 28J 12 7.858 -3.033 -1.137
101 H22 28J 12 HB 28J 12 9.128 -4.797 -2.136
102 H23 28J 12 HG21 28J 12 9.526 -4.313 -4.886
103 H24 28J 12 HG22 28J 12 8.420 -5.536 -4.210
104 H25 28J 12 HG23 28J 12 7.783 -3.923 -4.682
105 H26 28J 12 HG12 28J 12 10.210 -2.369 -3.665
106 H27 28J 12 HG13 28J 12 10.102 -2.330 -1.875
107 H28 28J 12 HD13 28J 12 12.371 -3.162 -2.937
108 H29 28J 12 HD11 28J 12 11.677 -4.111 -1.588
109 H30 28J 12 HD12 28J 12 11.490 -4.699 -3.276
110 H ALA 13 H ALA 13 5.342 -2.289 -2.355
111 HA ALA 13 HA ALA 13 3.226 -3.129 -2.402
112 HB1 ALA 13 HB1 ALA 13 4.372 -4.056 -4.565
113 HB2 ALA 13 HB2 ALA 13 4.205 -5.607 -3.741
114 HB3 ALA 13 HB3 ALA 13 2.776 -4.631 -4.081
Start of MODEL 6
1 H1 4N3 1 H DVA 1 3.399 2.334 -1.827
2 HA 4N3 1 HA DVA 1 5.157 2.530 0.529
3 HB 4N3 1 HB DVA 1 4.727 5.006 0.479
4 HG13 4N3 1 HG13 DVA 1 3.706 3.835 2.230
5 HG11 4N3 1 HG11 DVA 1 2.561 3.039 1.150
6 HG12 4N3 1 HG12 DVA 1 2.393 4.760 1.500
7 HG22 4N3 1 HG22 DVA 1 2.553 4.144 -1.422
8 HG23 4N3 1 HG23 DVA 1 3.849 5.303 -1.719
9 HG21 4N3 1 HG21 DVA 1 2.560 5.693 -0.580
10 HD2 4N3 1 HD2 DVA 1 2.020 0.547 -1.944
11 HD1 4N3 1 HD1 DVA 1 2.360 -0.854 -0.901
12 HE1 4N3 1 HE1 DVA 1 1.155 1.670 0.280
13 HE2 4N3 1 HE2 DVA 1 0.116 0.486 -0.548
14 HF2 4N3 1 HF2 DVA 1 1.938 -0.032 1.852
15 HF1 4N3 1 HF1 DVA 1 1.085 -1.311 0.955
16 HH1 4N3 1 HH1 DVA 1 -1.047 -0.548 1.645
17 HH2 4N3 1 HH2 DVA 1 -0.439 1.075 2.050
18 HI1 4N3 1 HI1 DVA 1 -0.076 -1.522 3.594
19 HI2 4N3 1 HI2 DVA 1 1.006 -0.133 3.853
20 HJ1 4N3 1 HJ1 DVA 1 -1.059 1.293 4.259
21 HJ2 4N3 1 HJ2 DVA 1 -0.802 0.022 5.479
22 HK3 4N3 1 HK3 DVA 1 -2.348 -1.060 3.273
23 HK2 4N3 1 HK2 DVA 1 -3.120 0.434 3.855
24 HK1 4N3 1 HK1 DVA 1 -2.811 -0.907 4.985
25 H 4FO 2 H 4FO 2 4.489 3.569 -2.777
26 HA 4FO 2 HA 4FO 2 7.254 3.239 -3.658
27 HB2 4FO 2 HB2 4FO 2 7.190 5.875 -4.449
28 HB3 4FO 2 HB3 4FO 2 6.292 6.008 -2.913
29 HG3 4FO 2 HG3 4FO 2 8.202 5.480 -1.562
30 HG2 4FO 2 HG2 4FO 2 8.860 6.481 -2.905
31 HZ3 4FO 2 HZ3 4FO 2 9.839 4.653 -3.948
32 HZ2 4FO 2 HZ1 4FO 2 10.084 4.295 -2.272
33 HZ1 4FO 2 HZ2 4FO 2 8.859 3.531 -3.161
34 H GLY 3 H GLY 3 7.504 4.060 -5.964
35 HA2 GLY 3 HA2 GLY 3 6.093 2.851 -7.777
36 HA3 GLY 3 HA3 GLY 3 4.925 4.101 -7.374
37 H SER 4 H SER 4 8.389 3.842 -8.187
38 HA SER 4 HA SER 4 8.560 6.459 -9.248
39 HB2 SER 4 HB2 SER 4 10.514 5.132 -8.448
40 HB3 SER 4 HB3 SER 4 10.345 4.090 -9.860
41 HG SER 4 HG SER 4 11.541 6.493 -9.657
42 H TRP 5 H TRP 5 8.925 7.066 -11.470
43 HA TRP 5 HA TRP 5 7.127 5.648 -13.263
44 HB2 TRP 5 HB2 TRP 5 6.749 7.971 -13.288
45 HB3 TRP 5 HB3 TRP 5 8.471 8.339 -13.341
46 HD1 TRP 5 HD1 TRP 5 6.326 6.132 -15.717
47 HE1 TRP 5 HE1 TRP 5 6.710 6.964 -18.122
48 HE3 TRP 5 HE3 TRP 5 9.430 10.072 -14.727
49 HZ2 TRP 5 HZ2 TRP 5 8.139 9.018 -19.427
50 HZ3 TRP 5 HZ3 TRP 5 10.262 11.420 -16.610
51 HH2 TRP 5 HH2 TRP 5 9.629 10.902 -18.910
52 H SER 6 H SER 6 10.242 7.252 -13.897
53 HA SER 6 HA SER 6 10.853 5.396 -15.998
54 HB2 SER 6 HB2 SER 6 11.563 7.710 -16.213
55 HB3 SER 6 HB3 SER 6 12.507 7.592 -14.728
56 HG SER 6 HG SER 6 13.797 7.345 -16.612
57 H DAB 7 H DAB 7 10.559 3.588 -14.376
58 HA DAB 7 HA DAB 7 13.047 2.193 -14.081
59 HB2 DAB 7 HB2 DAB 7 12.499 2.208 -11.292
60 HB3 DAB 7 HB3 DAB 7 12.307 3.915 -11.773
61 HG2 DAB 7 HG2 DAB 7 14.631 3.113 -10.885
62 HG3 DAB 7 HG3 DAB 7 14.623 4.190 -12.326
63 HD1 DAB 7 HZ3 DAB 7 15.968 1.836 -12.133
64 HD2 DAB 7 HZ2 DAB 7 14.527 1.279 -12.805
65 HZ1 DAB 7 HZ1 DAB 7 15.405 2.461 -13.646
66 H 4FO 8 H 4FO 8 9.891 2.572 -12.402
67 HA 4FO 8 HA 4FO 8 9.592 -0.421 -12.225
68 HB2 4FO 8 HB2 4FO 8 7.372 -0.462 -13.243
69 HB3 4FO 8 HB3 4FO 8 7.350 1.317 -13.379
70 HG3 4FO 8 HG3 4FO 8 9.314 -0.413 -15.048
71 HG2 4FO 8 HG2 4FO 8 8.913 1.333 -15.225
72 HZ3 4FO 8 HZ3 4FO 8 7.731 -0.544 -16.701
73 HZ2 4FO 8 HZ1 4FO 8 6.582 -0.435 -15.410
74 HZ1 4FO 8 HZ2 4FO 8 7.037 0.937 -16.296
75 H PHE 9 H PHE 9 7.488 -0.917 -11.009
76 HA PHE 9 HA PHE 9 6.618 1.118 -9.160
77 HB2 PHE 9 HB2 PHE 9 6.011 -1.836 -9.028
78 HB3 PHE 9 HB3 PHE 9 5.084 -0.513 -8.327
79 HD1 PHE 9 HD2 PHE 9 4.864 1.375 -10.518
80 HD2 PHE 9 HD1 PHE 9 4.640 -2.875 -10.560
81 HE1 PHE 9 HE2 PHE 9 3.472 1.472 -12.545
82 HE2 PHE 9 HE1 PHE 9 3.248 -2.785 -12.587
83 HZ PHE 9 HZ PHE 9 2.661 -0.610 -13.581
84 H GLU 10 H GLU 10 7.264 1.424 -7.105
85 HA GLU 10 HA GLU 10 9.143 -0.523 -5.945
86 HB2 GLU 10 HB2 GLU 10 10.052 1.784 -6.884
87 HB3 GLU 10 HB3 GLU 10 9.466 2.380 -5.337
88 HG2 GLU 10 HG2 GLU 10 11.682 1.882 -4.911
89 HG3 GLU 10 HG3 GLU 10 10.830 0.459 -4.314
90 H VAL 11 H VAL 11 6.236 -0.034 -5.576
91 HA VAL 11 HA VAL 11 5.695 1.297 -3.176
92 HB VAL 11 HB VAL 11 3.688 -0.242 -3.041
93 HG11 VAL 11 HG11 VAL 11 3.440 1.879 -4.086
94 HG12 VAL 11 HG12 VAL 11 4.260 1.327 -5.547
95 HG13 VAL 11 HG13 VAL 11 2.666 0.694 -5.137
96 HG21 VAL 11 HG21 VAL 11 4.667 -1.216 -5.719
97 HG22 VAL 11 HG22 VAL 11 4.830 -2.135 -4.222
98 HG23 VAL 11 HG23 VAL 11 3.228 -1.738 -4.843
99 H20 28J 12 H 28J 12 6.950 -1.882 -3.863
100 H21 28J 12 HA 28J 12 8.070 -2.446 -1.272
101 H22 28J 12 HB 28J 12 8.292 -4.752 -1.991
102 H23 28J 12 HG21 28J 12 7.149 -5.148 -4.497
103 H24 28J 12 HG22 28J 12 6.381 -5.651 -2.970
104 H25 28J 12 HG23 28J 12 5.902 -4.099 -3.739
105 H26 28J 12 HG12 28J 12 8.620 -2.874 -4.428
106 H27 28J 12 HG13 28J 12 9.740 -2.967 -3.029
107 H28 28J 12 HD13 28J 12 10.612 -5.081 -3.664
108 H29 28J 12 HD11 28J 12 9.116 -5.567 -4.518
109 H30 28J 12 HD12 28J 12 10.228 -4.378 -5.281
110 H ALA 13 H ALA 13 4.794 -2.849 -2.406
111 HA ALA 13 HA ALA 13 2.865 -3.281 -1.275
112 HB1 ALA 13 HB1 ALA 13 3.336 -5.538 -1.273
113 HB2 ALA 13 HB2 ALA 13 4.742 -5.353 -0.223
114 HB3 ALA 13 HB3 ALA 13 3.117 -5.216 0.448
Start of MODEL 7
1 H1 4N3 1 H DVA 1 2.978 3.016 -2.283
2 HA 4N3 1 HA DVA 1 3.976 4.154 0.247
3 HB 4N3 1 HB DVA 1 2.920 6.266 -0.390
4 HG13 4N3 1 HG13 DVA 1 1.613 4.827 0.992
5 HG11 4N3 1 HG11 DVA 1 1.113 3.856 -0.392
6 HG12 4N3 1 HG12 DVA 1 0.535 5.515 -0.225
7 HG22 4N3 1 HG22 DVA 1 2.642 4.908 -2.938
8 HG23 4N3 1 HG23 DVA 1 2.553 6.628 -2.560
9 HG21 4N3 1 HG21 DVA 1 1.121 5.612 -2.390
10 HD2 4N3 1 HD2 DVA 1 2.354 0.881 -2.264
11 HD1 4N3 1 HD1 DVA 1 3.148 -0.197 -1.092
12 HE1 4N3 1 HE1 DVA 1 0.640 1.488 -0.609
13 HE2 4N3 1 HE2 DVA 1 0.713 -0.284 -0.750
14 HF2 4N3 1 HF2 DVA 1 1.932 1.454 1.447
15 HF1 4N3 1 HF1 DVA 1 2.308 -0.274 1.246
16 HH1 4N3 1 HH1 DVA 1 0.525 -0.399 2.758
17 HH2 4N3 1 HH2 DVA 1 -0.350 -0.514 1.213
18 HI1 4N3 1 HI1 DVA 1 0.119 2.070 2.784
19 HI2 4N3 1 HI2 DVA 1 -0.799 1.920 1.265
20 HJ1 4N3 1 HJ1 DVA 1 -2.280 1.954 3.305
21 HJ2 4N3 1 HJ2 DVA 1 -1.492 0.457 3.859
22 HK3 4N3 1 HK3 DVA 1 -2.565 -0.846 2.291
23 HK2 4N3 1 HK2 DVA 1 -2.512 0.426 1.047
24 HK1 4N3 1 HK1 DVA 1 -3.755 0.479 2.320
25 H 4FO 2 H 4FO 2 5.391 3.019 -2.152
26 HA 4FO 2 HA 4FO 2 7.460 3.396 -3.239
27 HB2 4FO 2 HB2 4FO 2 8.975 4.990 -2.305
28 HB3 4FO 2 HB3 4FO 2 7.652 6.095 -1.845
29 HG3 4FO 2 HG3 4FO 2 7.127 4.871 0.175
30 HG2 4FO 2 HG2 4FO 2 8.923 4.914 0.067
31 HZ3 4FO 2 HZ3 4FO 2 8.945 2.715 0.213
32 HZ2 4FO 2 HZ1 4FO 2 7.220 2.605 0.109
33 HZ1 4FO 2 HZ2 4FO 2 8.183 2.619 -1.287
34 H GLY 3 H GLY 3 8.246 4.362 -5.072
35 HA2 GLY 3 HA2 GLY 3 6.318 5.889 -6.563
36 HA3 GLY 3 HA3 GLY 3 7.749 6.820 -6.145
37 H SER 4 H SER 4 9.231 6.875 -7.683
38 HA SER 4 HA SER 4 10.470 6.342 -9.516
39 HB2 SER 4 HB2 SER 4 10.044 3.536 -8.462
40 HB3 SER 4 HB3 SER 4 11.217 3.979 -9.702
41 HG SER 4 HG SER 4 12.024 5.508 -8.031
42 H TRP 5 H TRP 5 9.100 7.011 -11.135
43 HA TRP 5 HA TRP 5 7.055 5.211 -12.137
44 HB2 TRP 5 HB2 TRP 5 6.355 7.458 -12.144
45 HB3 TRP 5 HB3 TRP 5 7.885 8.024 -12.809
46 HD1 TRP 5 HD1 TRP 5 5.412 5.356 -14.181
47 HE1 TRP 5 HE1 TRP 5 4.838 5.992 -16.608
48 HE3 TRP 5 HE3 TRP 5 8.058 9.717 -14.525
49 HZ2 TRP 5 HZ2 TRP 5 5.430 8.068 -18.428
50 HZ3 TRP 5 HZ3 TRP 5 8.002 10.967 -16.644
51 HH2 TRP 5 HH2 TRP 5 6.715 10.157 -18.554
52 H SER 6 H SER 6 9.504 7.111 -13.890
53 HA SER 6 HA SER 6 9.635 5.157 -15.983
54 HB2 SER 6 HB2 SER 6 11.062 7.745 -15.427
55 HB3 SER 6 HB3 SER 6 11.589 6.689 -16.737
56 HG SER 6 HG SER 6 10.007 7.451 -17.869
57 H DAB 7 H DAB 7 10.160 3.437 -14.371
58 HA DAB 7 HA DAB 7 12.874 2.518 -14.819
59 HB2 DAB 7 HB2 DAB 7 12.281 3.735 -12.061
60 HB3 DAB 7 HB3 DAB 7 13.683 3.963 -13.142
61 HG2 DAB 7 HG2 DAB 7 14.615 1.780 -12.591
62 HG3 DAB 7 HG3 DAB 7 13.164 1.290 -11.646
63 HD1 DAB 7 HZ3 DAB 7 15.479 2.623 -10.747
64 HD2 DAB 7 HZ2 DAB 7 14.269 3.796 -10.734
65 HZ1 DAB 7 HZ1 DAB 7 14.022 2.374 -9.845
66 H 4FO 8 H 4FO 8 10.059 2.278 -12.618
67 HA 4FO 8 HA 4FO 8 10.430 -0.688 -12.330
68 HB2 4FO 8 HB2 4FO 8 8.189 -1.282 -13.108
69 HB3 4FO 8 HB3 4FO 8 7.761 0.437 -13.328
70 HG3 4FO 8 HG3 4FO 8 8.281 -1.075 -15.480
71 HG2 4FO 8 HG2 4FO 8 9.998 -0.771 -15.034
72 HZ3 4FO 8 HZ3 4FO 8 8.720 0.876 -16.635
73 HZ2 4FO 8 HZ1 4FO 8 8.283 1.626 -15.136
74 HZ1 4FO 8 HZ2 4FO 8 9.908 1.381 -15.552
75 H PHE 9 H PHE 9 8.116 -1.364 -11.130
76 HA PHE 9 HA PHE 9 7.159 0.478 -9.218
77 HB2 PHE 9 HB2 PHE 9 7.210 -2.522 -8.887
78 HB3 PHE 9 HB3 PHE 9 6.067 -1.379 -8.190
79 HD1 PHE 9 HD2 PHE 9 5.334 0.269 -10.477
80 HD2 PHE 9 HD1 PHE 9 5.973 -3.932 -10.230
81 HE1 PHE 9 HE2 PHE 9 3.828 -0.070 -12.394
82 HE2 PHE 9 HE1 PHE 9 4.469 -4.277 -12.147
83 HZ PHE 9 HZ PHE 9 3.393 -2.345 -13.230
84 H GLU 10 H GLU 10 7.833 1.010 -7.210
85 HA GLU 10 HA GLU 10 10.035 -0.490 -6.001
86 HB2 GLU 10 HB2 GLU 10 10.076 2.414 -6.756
87 HB3 GLU 10 HB3 GLU 10 11.014 1.840 -5.385
88 HG2 GLU 10 HG2 GLU 10 11.255 0.573 -8.088
89 HG3 GLU 10 HG3 GLU 10 12.174 2.012 -7.651
90 H VAL 11 H VAL 11 7.140 -0.115 -5.473
91 HA VAL 11 HA VAL 11 7.047 1.449 -3.032
92 HB VAL 11 HB VAL 11 4.677 0.694 -2.919
93 HG11 VAL 11 HG11 VAL 11 4.455 2.631 -3.997
94 HG12 VAL 11 HG12 VAL 11 5.905 2.342 -4.961
95 HG13 VAL 11 HG13 VAL 11 4.351 1.691 -5.485
96 HG21 VAL 11 HG21 VAL 11 4.553 -0.294 -5.638
97 HG22 VAL 11 HG22 VAL 11 5.547 -1.327 -4.611
98 HG23 VAL 11 HG23 VAL 11 3.879 -0.978 -4.159
99 H20 28J 12 H 28J 12 7.521 -1.805 -4.039
100 H21 28J 12 HA 28J 12 8.251 -2.872 -1.439
101 H22 28J 12 HB 28J 12 8.941 -3.840 -3.661
102 H23 28J 12 HG21 28J 12 8.840 -5.117 -1.314
103 H24 28J 12 HG22 28J 12 7.492 -6.029 -2.038
104 H25 28J 12 HG23 28J 12 9.113 -6.071 -2.812
105 H26 28J 12 HG12 28J 12 6.056 -4.955 -3.754
106 H27 28J 12 HG13 28J 12 6.675 -3.602 -4.756
107 H28 28J 12 HD13 28J 12 7.401 -6.584 -4.940
108 H29 28J 12 HD11 28J 12 6.904 -5.443 -6.226
109 H30 28J 12 HD12 28J 12 8.559 -5.334 -5.532
110 H ALA 13 H ALA 13 5.147 -2.471 -2.943
111 HA ALA 13 HA ALA 13 3.048 -2.653 -2.072
112 HB1 ALA 13 HB1 ALA 13 4.304 -5.281 -1.377
113 HB2 ALA 13 HB2 ALA 13 2.640 -4.921 -0.913
114 HB3 ALA 13 HB3 ALA 13 3.103 -4.911 -2.615
Start of MODEL 8
1 H1 4N3 1 H DVA 1 3.775 1.923 0.002
2 HA 4N3 1 HA DVA 1 4.782 3.723 0.962
3 HB 4N3 1 HB DVA 1 2.582 5.364 -0.297
4 HG13 4N3 1 HG13 DVA 1 3.422 7.087 0.824
5 HG11 4N3 1 HG11 DVA 1 4.807 6.082 1.250
6 HG12 4N3 1 HG12 DVA 1 3.415 6.168 2.330
7 HG22 4N3 1 HG22 DVA 1 2.502 3.361 1.830
8 HG23 4N3 1 HG23 DVA 1 1.189 4.079 0.899
9 HG21 4N3 1 HG21 DVA 1 1.840 4.926 2.302
10 HD2 4N3 1 HD2 DVA 1 2.553 1.408 -3.139
11 HD1 4N3 1 HD1 DVA 1 2.936 0.645 -1.578
12 HE1 4N3 1 HE1 DVA 1 0.359 2.191 -1.772
13 HE2 4N3 1 HE2 DVA 1 0.436 0.617 -2.600
14 HF2 4N3 1 HF2 DVA 1 1.523 -0.154 -0.269
15 HF1 4N3 1 HF1 DVA 1 -0.244 -0.081 -0.479
16 HH1 4N3 1 HH1 DVA 1 0.157 2.472 0.283
17 HH2 4N3 1 HH2 DVA 1 1.581 1.748 1.068
18 HI1 4N3 1 HI1 DVA 1 -0.107 -0.051 1.957
19 HI2 4N3 1 HI2 DVA 1 -0.108 1.555 2.725
20 HJ1 4N3 1 HJ1 DVA 1 -1.907 1.055 0.344
21 HJ2 4N3 1 HJ2 DVA 1 -2.116 2.197 1.692
22 HK3 4N3 1 HK3 DVA 1 -2.013 -0.652 2.526
23 HK2 4N3 1 HK2 DVA 1 -3.402 -0.251 1.487
24 HK1 4N3 1 HK1 DVA 1 -3.146 0.633 3.010
25 H 4FO 2 H 4FO 2 6.166 2.984 -1.065
26 HA 4FO 2 HA 4FO 2 7.846 3.643 -2.599
27 HB2 4FO 2 HB2 4FO 2 7.249 6.523 -1.662
28 HB3 4FO 2 HB3 4FO 2 8.082 5.327 -0.632
29 HG3 4FO 2 HG3 4FO 2 9.159 6.392 -3.347
30 HG2 4FO 2 HG2 4FO 2 9.919 5.107 -2.342
31 HZ3 4FO 2 HZ3 4FO 2 10.205 6.665 -0.513
32 HZ2 4FO 2 HZ1 4FO 2 10.888 7.345 -1.951
33 HZ1 4FO 2 HZ2 4FO 2 9.391 7.874 -1.358
34 H GLY 3 H GLY 3 8.294 5.047 -4.533
35 HA2 GLY 3 HA2 GLY 3 5.816 5.195 -6.084
36 HA3 GLY 3 HA3 GLY 3 6.804 6.646 -5.999
37 H SER 4 H SER 4 8.452 6.877 -7.390
38 HA SER 4 HA SER 4 9.813 6.481 -9.170
39 HB2 SER 4 HB2 SER 4 9.878 3.702 -7.971
40 HB3 SER 4 HB3 SER 4 10.970 4.280 -9.230
41 HG SER 4 HG SER 4 11.914 4.495 -7.177
42 H TRP 5 H TRP 5 8.411 6.804 -10.854
43 HA TRP 5 HA TRP 5 6.754 4.595 -11.782
44 HB2 TRP 5 HB2 TRP 5 5.597 6.644 -11.853
45 HB3 TRP 5 HB3 TRP 5 6.978 7.501 -12.532
46 HD1 TRP 5 HD1 TRP 5 5.131 4.336 -13.830
47 HE1 TRP 5 HE1 TRP 5 4.454 4.768 -16.276
48 HE3 TRP 5 HE3 TRP 5 6.805 9.143 -14.297
49 HZ2 TRP 5 HZ2 TRP 5 4.611 6.870 -18.154
50 HZ3 TRP 5 HZ3 TRP 5 6.504 10.293 -16.451
51 HH2 TRP 5 HH2 TRP 5 5.430 9.178 -18.339
52 H SER 6 H SER 6 8.758 6.921 -13.585
53 HA SER 6 HA SER 6 9.305 5.003 -15.636
54 HB2 SER 6 HB2 SER 6 9.179 7.252 -16.364
55 HB3 SER 6 HB3 SER 6 10.274 7.808 -15.099
56 HG SER 6 HG SER 6 11.612 7.677 -16.763
57 H DAB 7 H DAB 7 10.165 3.370 -14.171
58 HA DAB 7 HA DAB 7 12.982 2.995 -14.548
59 HB2 DAB 7 HB2 DAB 7 12.213 4.217 -11.850
60 HB3 DAB 7 HB3 DAB 7 13.593 4.555 -12.928
61 HG2 DAB 7 HG2 DAB 7 14.550 3.538 -11.012
62 HG3 DAB 7 HG3 DAB 7 14.575 2.222 -12.240
63 HD1 DAB 7 HZ3 DAB 7 13.183 2.405 -9.676
64 HD2 DAB 7 HZ2 DAB 7 12.140 1.978 -10.929
65 HZ1 DAB 7 HZ1 DAB 7 13.505 1.012 -10.653
66 H 4FO 8 H 4FO 8 10.195 2.273 -12.447
67 HA 4FO 8 HA 4FO 8 11.142 -0.485 -11.834
68 HB2 4FO 8 HB2 4FO 8 8.948 -1.502 -12.783
69 HB3 4FO 8 HB3 4FO 8 8.737 0.031 -13.671
70 HG3 4FO 8 HG3 4FO 8 10.640 -0.405 -15.143
71 HG2 4FO 8 HG2 4FO 8 9.666 -1.915 -15.033
72 HZ3 4FO 8 HZ3 4FO 8 11.235 -2.923 -13.578
73 HZ2 4FO 8 HZ1 4FO 8 12.174 -2.185 -14.833
74 HZ1 4FO 8 HZ2 4FO 8 12.045 -1.472 -13.300
75 H PHE 9 H PHE 9 9.570 -1.633 -10.450
76 HA PHE 9 HA PHE 9 7.764 0.180 -9.016
77 HB2 PHE 9 HB2 PHE 9 7.968 -2.810 -8.667
78 HB3 PHE 9 HB3 PHE 9 6.652 -1.752 -8.170
79 HD1 PHE 9 HD2 PHE 9 6.204 -0.146 -10.569
80 HD2 PHE 9 HD1 PHE 9 7.041 -4.300 -10.169
81 HE1 PHE 9 HE2 PHE 9 5.052 -0.580 -12.699
82 HE2 PHE 9 HE1 PHE 9 5.891 -4.741 -12.299
83 HZ PHE 9 HZ PHE 9 4.893 -2.880 -13.566
84 H GLU 10 H GLU 10 8.144 0.811 -6.974
85 HA GLU 10 HA GLU 10 10.451 -0.387 -5.586
86 HB2 GLU 10 HB2 GLU 10 9.651 2.441 -6.008
87 HB3 GLU 10 HB3 GLU 10 10.315 2.033 -4.432
88 HG2 GLU 10 HG2 GLU 10 12.136 0.849 -5.997
89 HG3 GLU 10 HG3 GLU 10 11.622 2.149 -7.071
90 H VAL 11 H VAL 11 7.188 0.840 -5.325
91 HA VAL 11 HA VAL 11 6.807 0.905 -2.593
92 HB VAL 11 HB VAL 11 4.417 0.218 -3.101
93 HG11 VAL 11 HG11 VAL 11 4.812 2.514 -2.972
94 HG12 VAL 11 HG12 VAL 11 5.791 2.523 -4.440
95 HG13 VAL 11 HG13 VAL 11 4.044 2.308 -4.546
96 HG21 VAL 11 HG21 VAL 11 5.406 0.314 -5.948
97 HG22 VAL 11 HG22 VAL 11 4.964 -1.158 -5.082
98 HG23 VAL 11 HG23 VAL 11 3.743 0.069 -5.417
99 H20 28J 12 H 28J 12 6.957 -1.825 -4.779
100 H21 28J 12 HA 28J 12 7.583 -3.850 -2.812
101 H22 28J 12 HB 28J 12 8.064 -4.181 -5.188
102 H23 28J 12 HG21 28J 12 7.454 -6.524 -5.337
103 H24 28J 12 HG22 28J 12 7.494 -6.185 -3.588
104 H25 28J 12 HG23 28J 12 5.916 -6.279 -4.441
105 H26 28J 12 HG12 28J 12 4.999 -4.059 -5.560
106 H27 28J 12 HG13 28J 12 6.236 -2.938 -6.214
107 H28 28J 12 HD13 28J 12 5.577 -5.791 -7.147
108 H29 28J 12 HD11 28J 12 5.770 -4.287 -8.098
109 H30 28J 12 HD12 28J 12 7.223 -5.110 -7.433
110 H ALA 13 H ALA 13 4.533 -2.465 -3.699
111 HA ALA 13 HA ALA 13 2.486 -2.639 -2.710
112 HB1 ALA 13 HB1 ALA 13 1.483 -4.808 -2.737
113 HB2 ALA 13 HB2 ALA 13 2.548 -4.684 -4.138
114 HB3 ALA 13 HB3 ALA 13 3.061 -5.596 -2.718
Start of MODEL 9
1 H1 4N3 1 H DVA 1 1.938 4.658 -0.315
2 HA 4N3 1 HA DVA 1 4.537 3.436 -0.372
3 HB 4N3 1 HB DVA 1 3.771 6.055 0.919
4 HG13 4N3 1 HG13 DVA 1 5.898 6.135 1.544
5 HG11 4N3 1 HG11 DVA 1 6.221 4.623 0.696
6 HG12 4N3 1 HG12 DVA 1 5.702 4.594 2.382
7 HG22 4N3 1 HG22 DVA 1 3.624 3.259 2.045
8 HG23 4N3 1 HG23 DVA 1 2.260 4.320 1.694
9 HG21 4N3 1 HG21 DVA 1 3.403 4.744 2.968
10 HD2 4N3 1 HD2 DVA 1 2.959 1.229 -1.841
11 HD1 4N3 1 HD1 DVA 1 2.412 1.732 -0.224
12 HE1 4N3 1 HE1 DVA 1 0.083 1.758 -0.951
13 HE2 4N3 1 HE2 DVA 1 0.561 1.487 -2.644
14 HF2 4N3 1 HF2 DVA 1 1.759 -0.670 -1.585
15 HF1 4N3 1 HF1 DVA 1 0.034 -0.701 -2.025
16 HH1 4N3 1 HH1 DVA 1 -0.250 0.255 0.466
17 HH2 4N3 1 HH2 DVA 1 1.314 -0.560 0.702
18 HI1 4N3 1 HI1 DVA 1 0.137 -2.590 -0.511
19 HI2 4N3 1 HI2 DVA 1 -0.221 -2.281 1.205
20 HJ1 4N3 1 HJ1 DVA 1 -2.229 -2.660 -0.455
21 HJ2 4N3 1 HJ2 DVA 1 -1.899 -0.988 -0.969
22 HK3 4N3 1 HK3 DVA 1 -2.869 -2.013 1.703
23 HK2 4N3 1 HK2 DVA 1 -3.429 -0.609 0.763
24 HK1 4N3 1 HK1 DVA 1 -1.893 -0.525 1.660
25 H 4FO 2 H 4FO 2 6.045 3.782 -1.794
26 HA 4FO 2 HA 4FO 2 7.549 4.838 -3.287
27 HB2 4FO 2 HB2 4FO 2 8.058 7.165 -2.963
28 HB3 4FO 2 HB3 4FO 2 6.399 7.524 -2.410
29 HG3 4FO 2 HG3 4FO 2 6.837 6.943 -0.170
30 HG2 4FO 2 HG2 4FO 2 8.468 7.482 -0.708
31 HZ3 4FO 2 HZ3 4FO 2 7.656 4.591 -0.748
32 HZ2 4FO 2 HZ1 4FO 2 9.238 5.273 -0.923
33 HZ1 4FO 2 HZ2 4FO 2 8.407 5.357 0.552
34 H GLY 3 H GLY 3 7.602 5.574 -5.375
35 HA2 GLY 3 HA2 GLY 3 5.022 5.658 -6.691
36 HA3 GLY 3 HA3 GLY 3 5.952 7.144 -6.809
37 H SER 4 H SER 4 5.299 4.233 -8.270
38 HA SER 4 HA SER 4 7.841 3.622 -9.394
39 HB2 SER 4 HB2 SER 4 6.292 2.379 -11.109
40 HB3 SER 4 HB3 SER 4 6.396 1.802 -9.446
41 HG SER 4 HG SER 4 4.241 2.578 -10.758
42 H TRP 5 H TRP 5 8.659 5.554 -10.237
43 HA TRP 5 HA TRP 5 7.185 6.891 -12.359
44 HB2 TRP 5 HB2 TRP 5 8.270 8.423 -10.938
45 HB3 TRP 5 HB3 TRP 5 9.754 7.475 -10.904
46 HD1 TRP 5 HD1 TRP 5 7.785 8.902 -13.937
47 HE1 TRP 5 HE1 TRP 5 9.430 10.271 -15.368
48 HE3 TRP 5 HE3 TRP 5 11.966 8.441 -11.031
49 HZ2 TRP 5 HZ2 TRP 5 12.141 11.051 -15.277
50 HZ3 TRP 5 HZ3 TRP 5 14.044 9.529 -11.775
51 HH2 TRP 5 HH2 TRP 5 14.128 10.805 -13.854
52 H SER 6 H SER 6 10.613 5.950 -12.153
53 HA SER 6 HA SER 6 10.747 5.550 -14.992
54 HB2 SER 6 HB2 SER 6 13.102 4.653 -14.318
55 HB3 SER 6 HB3 SER 6 12.750 6.370 -14.120
56 HG SER 6 HG SER 6 13.092 4.384 -12.197
57 H DAB 7 H DAB 7 8.880 3.969 -14.735
58 HA DAB 7 HA DAB 7 8.045 1.763 -14.998
59 HB2 DAB 7 HB2 DAB 7 9.693 0.133 -16.048
60 HB3 DAB 7 HB3 DAB 7 10.997 1.308 -15.725
61 HG2 DAB 7 HG2 DAB 7 8.682 2.314 -17.408
62 HG3 DAB 7 HG3 DAB 7 9.773 1.110 -18.181
63 HD1 DAB 7 HZ3 DAB 7 10.830 3.111 -18.673
64 HD2 DAB 7 HZ2 DAB 7 10.250 3.885 -17.293
65 HZ1 DAB 7 HZ1 DAB 7 11.577 2.842 -17.134
66 H 4FO 8 H 4FO 8 8.519 -0.624 -14.464
67 HA 4FO 8 HA 4FO 8 10.023 -1.453 -12.130
68 HB2 4FO 8 HB2 4FO 8 8.169 -3.222 -11.898
69 HB3 4FO 8 HB3 4FO 8 7.307 -2.390 -13.219
70 HG3 4FO 8 HG3 4FO 8 8.930 -3.084 -14.902
71 HG2 4FO 8 HG2 4FO 8 8.569 -4.514 -13.872
72 HZ3 4FO 8 HZ3 4FO 8 10.998 -4.157 -14.382
73 HZ2 4FO 8 HZ1 4FO 8 10.962 -2.812 -13.292
74 HZ1 4FO 8 HZ2 4FO 8 10.581 -4.377 -12.764
75 H PHE 9 H PHE 9 8.746 -2.239 -10.098
76 HA PHE 9 HA PHE 9 6.902 -0.170 -9.164
77 HB2 PHE 9 HB2 PHE 9 7.751 -2.659 -7.681
78 HB3 PHE 9 HB3 PHE 9 6.343 -1.648 -7.372
79 HD1 PHE 9 HD2 PHE 9 5.199 -1.312 -10.029
80 HD2 PHE 9 HD1 PHE 9 6.941 -4.750 -8.222
81 HE1 PHE 9 HE2 PHE 9 3.842 -2.759 -11.483
82 HE2 PHE 9 HE1 PHE 9 5.587 -6.203 -9.675
83 HZ PHE 9 HZ PHE 9 4.034 -5.208 -11.307
84 H GLU 10 H GLU 10 7.414 1.314 -7.659
85 HA GLU 10 HA GLU 10 10.121 1.180 -6.500
86 HB2 GLU 10 HB2 GLU 10 8.503 3.523 -7.475
87 HB3 GLU 10 HB3 GLU 10 9.841 3.734 -6.354
88 HG2 GLU 10 HG2 GLU 10 10.233 2.249 -8.916
89 HG3 GLU 10 HG3 GLU 10 10.251 4.011 -8.885
90 H VAL 11 H VAL 11 6.735 1.704 -5.917
91 HA VAL 11 HA VAL 11 6.742 2.879 -3.412
92 HB VAL 11 HB VAL 11 4.598 1.583 -3.016
93 HG11 VAL 11 HG11 VAL 11 4.234 3.694 -3.858
94 HG12 VAL 11 HG12 VAL 11 5.113 3.367 -5.353
95 HG13 VAL 11 HG13 VAL 11 3.500 2.694 -5.111
96 HG21 VAL 11 HG21 VAL 11 5.039 0.657 -5.849
97 HG22 VAL 11 HG22 VAL 11 5.289 -0.362 -4.431
98 HG23 VAL 11 HG23 VAL 11 3.682 0.270 -4.791
99 H20 28J 12 H 28J 12 7.430 -0.403 -4.378
100 H21 28J 12 HA 28J 12 8.843 -1.220 -1.998
101 H22 28J 12 HB 28J 12 9.087 -2.400 -4.140
102 H23 28J 12 HG21 28J 12 8.792 -3.640 -1.549
103 H24 28J 12 HG22 28J 12 7.974 -4.739 -2.688
104 H25 28J 12 HG23 28J 12 9.688 -4.279 -2.970
105 H26 28J 12 HG12 28J 12 6.140 -3.248 -3.733
106 H27 28J 12 HG13 28J 12 6.787 -2.153 -4.998
107 H28 28J 12 HD13 28J 12 6.544 -4.262 -6.134
108 H29 28J 12 HD11 28J 12 8.292 -4.174 -5.762
109 H30 28J 12 HD12 28J 12 7.218 -5.198 -4.746
110 H ALA 13 H ALA 13 5.419 -1.168 -2.660
111 HA ALA 13 HA ALA 13 3.611 -1.564 -1.336
112 HB1 ALA 13 HB1 ALA 13 3.529 -3.531 -0.091
113 HB2 ALA 13 HB2 ALA 13 4.730 -3.877 -1.336
114 HB3 ALA 13 HB3 ALA 13 5.248 -3.468 0.299
Start of MODEL 10
1 H1 4N3 1 H DVA 1 3.616 2.504 -1.500
2 HA 4N3 1 HA DVA 1 3.602 4.050 0.999
3 HB 4N3 1 HB DVA 1 2.076 4.883 -1.470
4 HG13 4N3 1 HG13 DVA 1 1.582 6.819 -0.416
5 HG11 4N3 1 HG11 DVA 1 3.084 6.479 0.443
6 HG12 4N3 1 HG12 DVA 1 1.534 6.064 1.178
7 HG22 4N3 1 HG22 DVA 1 0.817 3.094 -0.662
8 HG23 4N3 1 HG23 DVA 1 0.080 4.496 0.111
9 HG21 4N3 1 HG21 DVA 1 1.189 3.470 1.020
10 HD2 4N3 1 HD2 DVA 1 3.014 0.316 -1.374
11 HD1 4N3 1 HD1 DVA 1 4.365 -0.146 -0.312
12 HE1 4N3 1 HE1 DVA 1 2.734 -1.708 0.334
13 HE2 4N3 1 HE2 DVA 1 2.437 -0.404 1.507
14 HF2 4N3 1 HF2 DVA 1 0.883 -1.037 -1.039
15 HF1 4N3 1 HF1 DVA 1 0.743 0.534 -0.212
16 HH1 4N3 1 HH1 DVA 1 -1.031 -0.854 0.661
17 HH2 4N3 1 HH2 DVA 1 0.216 -0.781 1.928
18 HI1 4N3 1 HI1 DVA 1 -0.039 -3.032 -0.127
19 HI2 4N3 1 HI2 DVA 1 1.104 -2.968 1.237
20 HJ1 4N3 1 HJ1 DVA 1 -1.931 -3.232 1.338
21 HJ2 4N3 1 HJ2 DVA 1 -0.974 -2.756 2.761
22 HK3 4N3 1 HK3 DVA 1 0.103 -5.120 1.326
23 HK2 4N3 1 HK2 DVA 1 -1.515 -5.376 2.022
24 HK1 4N3 1 HK1 DVA 1 -0.165 -4.875 3.068
25 H 4FO 2 H 4FO 2 3.946 4.343 -2.534
26 HA 4FO 2 HA 4FO 2 6.742 5.096 -2.510
27 HB2 4FO 2 HB2 4FO 2 5.672 7.252 -1.526
28 HB3 4FO 2 HB3 4FO 2 6.790 7.386 -2.910
29 HG3 4FO 2 HG3 4FO 2 4.930 7.867 -4.488
30 HG2 4FO 2 HG2 4FO 2 4.853 8.961 -3.060
31 HZ3 4FO 2 HZ3 4FO 2 3.027 7.805 -2.144
32 HZ2 4FO 2 HZ1 4FO 2 2.667 7.895 -3.836
33 HZ1 4FO 2 HZ2 4FO 2 3.247 6.462 -3.138
34 H GLY 3 H GLY 3 7.114 6.421 -4.788
35 HA2 GLY 3 HA2 GLY 3 6.228 4.477 -6.732
36 HA3 GLY 3 HA3 GLY 3 5.593 6.093 -7.002
37 H SER 4 H SER 4 8.002 4.024 -7.839
38 HA SER 4 HA SER 4 10.287 5.674 -7.898
39 HB2 SER 4 HB2 SER 4 11.298 3.993 -9.171
40 HB3 SER 4 HB3 SER 4 10.066 3.108 -8.272
41 HG SER 4 HG SER 4 9.081 2.673 -10.078
42 H TRP 5 H TRP 5 11.290 5.852 -10.354
43 HA TRP 5 HA TRP 5 9.609 7.884 -11.580
44 HB2 TRP 5 HB2 TRP 5 11.831 8.614 -11.319
45 HB3 TRP 5 HB3 TRP 5 12.493 7.086 -11.891
46 HD1 TRP 5 HD1 TRP 5 9.985 9.509 -13.609
47 HE1 TRP 5 HE1 TRP 5 10.906 10.065 -15.947
48 HE3 TRP 5 HE3 TRP 5 14.385 6.916 -13.385
49 HZ2 TRP 5 HZ2 TRP 5 13.195 9.482 -17.492
50 HZ3 TRP 5 HZ3 TRP 5 15.884 6.966 -15.336
51 HH2 TRP 5 HH2 TRP 5 15.299 8.223 -17.346
52 H SER 6 H SER 6 11.742 5.445 -13.056
53 HA SER 6 HA SER 6 10.247 5.303 -15.444
54 HB2 SER 6 HB2 SER 6 12.681 4.652 -15.120
55 HB3 SER 6 HB3 SER 6 12.095 3.150 -14.406
56 HG SER 6 HG SER 6 11.461 4.084 -17.012
57 H DAB 7 H DAB 7 9.860 2.762 -16.137
58 HA DAB 7 HA DAB 7 7.295 1.928 -15.149
59 HB2 DAB 7 HB2 DAB 7 8.007 0.980 -17.233
60 HB3 DAB 7 HB3 DAB 7 7.919 -0.350 -16.047
61 HG2 DAB 7 HG2 DAB 7 10.489 0.964 -17.131
62 HG3 DAB 7 HG3 DAB 7 9.900 -0.697 -17.497
63 HD1 DAB 7 HZ3 DAB 7 11.124 0.403 -14.985
64 HD2 DAB 7 HZ2 DAB 7 10.077 -0.913 -14.886
65 HZ1 DAB 7 HZ1 DAB 7 11.476 -1.066 -15.831
66 H 4FO 8 H 4FO 8 6.624 0.260 -13.824
67 HA 4FO 8 HA 4FO 8 8.433 -0.976 -11.789
68 HB2 4FO 8 HB2 4FO 8 6.222 -1.759 -10.767
69 HB3 4FO 8 HB3 4FO 8 5.373 -0.855 -12.049
70 HG3 4FO 8 HG3 4FO 8 5.865 -3.558 -12.230
71 HG2 4FO 8 HG2 4FO 8 7.370 -2.932 -12.992
72 HZ3 4FO 8 HZ3 4FO 8 5.561 -3.327 -14.620
73 HZ2 4FO 8 HZ1 4FO 8 4.652 -2.039 -13.903
74 HZ1 4FO 8 HZ2 4FO 8 6.165 -1.754 -14.613
75 H PHE 9 H PHE 9 7.291 -0.786 -9.437
76 HA PHE 9 HA PHE 9 6.991 2.074 -8.843
77 HB2 PHE 9 HB2 PHE 9 6.487 -0.215 -6.944
78 HB3 PHE 9 HB3 PHE 9 5.935 1.450 -6.801
79 HD1 PHE 9 HD2 PHE 9 4.854 1.971 -9.468
80 HD2 PHE 9 HD1 PHE 9 4.568 -1.501 -7.023
81 HE1 PHE 9 HE2 PHE 9 2.745 1.367 -10.580
82 HE2 PHE 9 HE1 PHE 9 2.459 -2.112 -8.132
83 HZ PHE 9 HZ PHE 9 1.544 -0.677 -9.912
84 H GLU 10 H GLU 10 7.741 2.197 -6.240
85 HA GLU 10 HA GLU 10 10.611 1.538 -6.352
86 HB2 GLU 10 HB2 GLU 10 10.344 3.913 -6.433
87 HB3 GLU 10 HB3 GLU 10 9.182 3.889 -5.114
88 HG2 GLU 10 HG2 GLU 10 11.444 4.709 -4.491
89 HG3 GLU 10 HG3 GLU 10 10.867 3.349 -3.529
90 H VAL 11 H VAL 11 7.812 1.861 -4.207
91 HA VAL 11 HA VAL 11 9.000 0.997 -1.835
92 HB VAL 11 HB VAL 11 6.718 0.347 -1.115
93 HG11 VAL 11 HG11 VAL 11 7.646 2.749 -1.213
94 HG12 VAL 11 HG12 VAL 11 6.527 2.965 -2.560
95 HG13 VAL 11 HG13 VAL 11 5.914 2.526 -0.966
96 HG21 VAL 11 HG21 VAL 11 5.288 1.384 -3.381
97 HG22 VAL 11 HG22 VAL 11 6.294 0.019 -3.867
98 HG23 VAL 11 HG23 VAL 11 5.116 -0.172 -2.568
99 H20 28J 12 H 28J 12 8.093 -0.709 -4.679
100 H21 28J 12 HA 28J 12 9.277 -3.266 -3.869
101 H22 28J 12 HB 28J 12 8.543 -4.133 -5.971
102 H23 28J 12 HG21 28J 12 6.909 -2.511 -7.417
103 H24 28J 12 HG22 28J 12 6.241 -3.713 -6.285
104 H25 28J 12 HG23 28J 12 6.361 -1.991 -5.786
105 H26 28J 12 HG12 28J 12 9.040 -1.131 -6.498
106 H27 28J 12 HG13 28J 12 10.309 -2.254 -5.910
107 H28 28J 12 HD13 28J 12 10.564 -3.288 -7.985
108 H29 28J 12 HD11 28J 12 8.812 -3.239 -8.347
109 H30 28J 12 HD12 28J 12 9.813 -1.767 -8.598
110 H ALA 13 H ALA 13 6.049 -1.962 -3.618
111 HA ALA 13 HA ALA 13 4.233 -2.693 -2.454
112 HB1 ALA 13 HB1 ALA 13 5.065 -5.378 -3.546
113 HB2 ALA 13 HB2 ALA 13 3.471 -4.951 -2.924
114 HB3 ALA 13 HB3 ALA 13 4.078 -4.188 -4.393
Start of MODEL 11
1 H1 4N3 1 H DVA 1 3.951 2.356 -1.576
2 HA 4N3 1 HA DVA 1 5.174 2.523 1.100
3 HB 4N3 1 HB DVA 1 4.095 4.834 -0.522
4 HG13 4N3 1 HG13 DVA 1 6.111 4.731 1.498
5 HG11 4N3 1 HG11 DVA 1 4.703 5.585 2.129
6 HG12 4N3 1 HG12 DVA 1 5.471 6.132 0.637
7 HG22 4N3 1 HG22 DVA 1 3.083 3.350 1.871
8 HG23 4N3 1 HG23 DVA 1 2.213 3.876 0.431
9 HG21 4N3 1 HG21 DVA 1 2.692 5.055 1.652
10 HD2 4N3 1 HD2 DVA 1 2.525 0.749 -1.982
11 HD1 4N3 1 HD1 DVA 1 3.251 -0.740 -1.332
12 HE1 4N3 1 HE1 DVA 1 0.794 -0.790 -1.031
13 HE2 4N3 1 HE2 DVA 1 1.602 -0.694 0.552
14 HF2 4N3 1 HF2 DVA 1 0.259 1.574 -0.993
15 HF1 4N3 1 HF1 DVA 1 1.300 1.845 0.426
16 HH1 4N3 1 HH1 DVA 1 -0.862 1.732 1.383
17 HH2 4N3 1 HH2 DVA 1 -0.251 0.075 1.599
18 HI1 4N3 1 HI1 DVA 1 -2.053 1.040 -0.678
19 HI2 4N3 1 HI2 DVA 1 -1.414 -0.613 -0.504
20 HJ1 4N3 1 HJ1 DVA 1 -2.532 -0.676 1.800
21 HJ2 4N3 1 HJ2 DVA 1 -3.652 -0.636 0.417
22 HK3 4N3 1 HK3 DVA 1 -4.493 1.388 1.035
23 HK2 4N3 1 HK2 DVA 1 -2.870 2.064 1.308
24 HK1 4N3 1 HK1 DVA 1 -3.673 1.131 2.594
25 H 4FO 2 H 4FO 2 5.344 4.360 -1.942
26 HA 4FO 2 HA 4FO 2 7.822 3.336 -2.956
27 HB2 4FO 2 HB2 4FO 2 9.118 4.206 -1.158
28 HB3 4FO 2 HB3 4FO 2 9.290 5.368 -2.501
29 HG3 4FO 2 HG3 4FO 2 7.628 5.803 0.084
30 HG2 4FO 2 HG2 4FO 2 7.556 6.871 -1.363
31 HZ3 4FO 2 HZ3 4FO 2 9.393 7.911 -0.724
32 HZ2 4FO 2 HZ1 4FO 2 9.490 6.928 0.699
33 HZ1 4FO 2 HZ2 4FO 2 10.268 6.471 -0.737
34 H GLY 3 H GLY 3 8.908 5.186 -4.418
35 HA2 GLY 3 HA2 GLY 3 6.715 6.029 -6.125
36 HA3 GLY 3 HA3 GLY 3 7.704 7.331 -5.479
37 H SER 4 H SER 4 7.292 5.297 -8.054
38 HA SER 4 HA SER 4 9.549 6.213 -9.439
39 HB2 SER 4 HB2 SER 4 10.477 3.682 -9.585
40 HB3 SER 4 HB3 SER 4 11.104 4.874 -8.447
41 HG SER 4 HG SER 4 9.763 2.574 -7.960
42 H TRP 5 H TRP 5 8.530 6.406 -11.323
43 HA TRP 5 HA TRP 5 6.710 4.311 -12.224
44 HB2 TRP 5 HB2 TRP 5 5.760 6.444 -12.510
45 HB3 TRP 5 HB3 TRP 5 7.262 7.127 -13.126
46 HD1 TRP 5 HD1 TRP 5 5.228 4.061 -14.381
47 HE1 TRP 5 HE1 TRP 5 4.776 4.393 -16.893
48 HE3 TRP 5 HE3 TRP 5 7.372 8.662 -14.991
49 HZ2 TRP 5 HZ2 TRP 5 5.264 6.346 -18.871
50 HZ3 TRP 5 HZ3 TRP 5 7.338 9.692 -17.225
51 HH2 TRP 5 HH2 TRP 5 6.306 8.556 -19.124
52 H SER 6 H SER 6 9.054 6.316 -14.003
53 HA SER 6 HA SER 6 9.606 4.120 -15.798
54 HB2 SER 6 HB2 SER 6 9.418 6.433 -16.647
55 HB3 SER 6 HB3 SER 6 10.825 6.890 -15.687
56 HG SER 6 HG SER 6 10.882 6.019 -18.106
57 H DAB 7 H DAB 7 10.314 3.035 -13.619
58 HA DAB 7 HA DAB 7 13.056 2.268 -13.937
59 HB2 DAB 7 HB2 DAB 7 13.810 4.384 -13.028
60 HB3 DAB 7 HB3 DAB 7 14.040 3.106 -11.804
61 HG2 DAB 7 HG2 DAB 7 11.479 4.281 -11.208
62 HG3 DAB 7 HG3 DAB 7 12.592 5.661 -11.517
63 HD1 DAB 7 HZ3 DAB 7 12.646 3.571 -9.390
64 HD2 DAB 7 HZ2 DAB 7 14.131 4.125 -9.962
65 HZ1 DAB 7 HZ1 DAB 7 13.050 5.252 -9.303
66 H 4FO 8 H 4FO 8 10.482 1.118 -13.597
67 HA 4FO 8 HA 4FO 8 11.010 -0.930 -11.511
68 HB2 4FO 8 HB2 4FO 8 8.553 -1.614 -12.182
69 HB3 4FO 8 HB3 4FO 8 8.694 -0.345 -13.428
70 HG3 4FO 8 HG3 4FO 8 10.791 -1.653 -14.346
71 HG2 4FO 8 HG2 4FO 8 9.149 -2.347 -14.592
72 HZ3 4FO 8 HZ3 4FO 8 9.690 -3.599 -12.343
73 HZ2 4FO 8 HZ1 4FO 8 10.314 -4.175 -13.853
74 HZ1 4FO 8 HZ2 4FO 8 11.284 -3.282 -12.787
75 H PHE 9 H PHE 9 8.857 -1.495 -10.190
76 HA PHE 9 HA PHE 9 7.860 0.942 -8.909
77 HB2 PHE 9 HB2 PHE 9 6.970 -1.889 -8.358
78 HB3 PHE 9 HB3 PHE 9 6.122 -0.395 -7.969
79 HD1 PHE 9 HD2 PHE 9 6.279 1.092 -10.473
80 HD2 PHE 9 HD1 PHE 9 5.588 -3.053 -9.793
81 HE1 PHE 9 HE2 PHE 9 5.055 0.950 -12.602
82 HE2 PHE 9 HE1 PHE 9 4.364 -3.202 -11.923
83 HZ PHE 9 HZ PHE 9 4.095 -1.199 -13.330
84 H GLU 10 H GLU 10 8.362 1.509 -6.864
85 HA GLU 10 HA GLU 10 10.315 -0.181 -5.462
86 HB2 GLU 10 HB2 GLU 10 9.796 2.777 -5.467
87 HB3 GLU 10 HB3 GLU 10 10.672 2.023 -4.143
88 HG2 GLU 10 HG2 GLU 10 12.345 1.193 -5.698
89 HG3 GLU 10 HG3 GLU 10 11.456 1.900 -7.046
90 H VAL 11 H VAL 11 7.168 1.237 -5.233
91 HA VAL 11 HA VAL 11 6.706 1.294 -2.510
92 HB VAL 11 HB VAL 11 4.320 0.870 -3.037
93 HG11 VAL 11 HG11 VAL 11 4.607 3.096 -3.257
94 HG12 VAL 11 HG12 VAL 11 5.991 2.919 -4.337
95 HG13 VAL 11 HG13 VAL 11 4.352 2.753 -4.967
96 HG21 VAL 11 HG21 VAL 11 5.489 -0.266 -5.423
97 HG22 VAL 11 HG22 VAL 11 3.851 -0.427 -4.788
98 HG23 VAL 11 HG23 VAL 11 4.267 0.943 -5.818
99 H20 28J 12 H 28J 12 6.993 -1.400 -4.679
100 H21 28J 12 HA 28J 12 7.139 -3.422 -2.538
101 H22 28J 12 HB 28J 12 8.389 -3.636 -4.684
102 H23 28J 12 HG21 28J 12 6.533 -6.041 -4.796
103 H24 28J 12 HG22 28J 12 8.303 -5.969 -4.603
104 H25 28J 12 HG23 28J 12 7.240 -5.663 -3.187
105 H26 28J 12 HG12 28J 12 5.603 -4.049 -5.964
106 H27 28J 12 HG13 28J 12 6.657 -2.613 -6.168
107 H28 28J 12 HD13 28J 12 6.660 -4.770 -7.922
108 H29 28J 12 HD11 28J 12 8.042 -3.656 -7.693
109 H30 28J 12 HD12 28J 12 8.017 -5.232 -6.827
110 H ALA 13 H ALA 13 4.560 -2.231 -4.577
111 HA ALA 13 HA ALA 13 2.302 -2.499 -4.426
112 HB1 ALA 13 HB1 ALA 13 1.498 -4.658 -4.730
113 HB2 ALA 13 HB2 ALA 13 3.151 -4.755 -5.340
114 HB3 ALA 13 HB3 ALA 13 2.766 -5.376 -3.735
Start of MODEL 12
1 H1 4N3 1 H DVA 1 2.821 3.278 -1.314
2 HA 4N3 1 HA DVA 1 3.504 5.024 0.959
3 HB 4N3 1 HB DVA 1 2.117 6.749 -0.256
4 HG13 4N3 1 HG13 DVA 1 0.768 6.116 1.400
5 HG11 4N3 1 HG11 DVA 1 1.254 4.427 1.248
6 HG12 4N3 1 HG12 DVA 1 -0.032 5.070 0.225
7 HG22 4N3 1 HG22 DVA 1 2.245 5.392 -2.437
8 HG23 4N3 1 HG23 DVA 1 0.712 6.163 -2.029
9 HG21 4N3 1 HG21 DVA 1 0.932 4.435 -1.752
10 HD2 4N3 1 HD2 DVA 1 3.410 0.992 -1.030
11 HD1 4N3 1 HD1 DVA 1 3.764 0.444 0.625
12 HE1 4N3 1 HE1 DVA 1 1.414 1.116 1.282
13 HE2 4N3 1 HE2 DVA 1 1.088 1.482 -0.429
14 HF2 4N3 1 HF2 DVA 1 1.880 -1.232 0.738
15 HF1 4N3 1 HF1 DVA 1 1.724 -0.893 -1.003
16 HH1 4N3 1 HH1 DVA 1 -0.664 -0.148 -0.563
17 HH2 4N3 1 HH2 DVA 1 -0.475 -0.719 1.112
18 HI1 4N3 1 HI1 DVA 1 -0.169 -2.425 -1.410
19 HI2 4N3 1 HI2 DVA 1 0.071 -3.003 0.257
20 HJ1 4N3 1 HJ1 DVA 1 -2.362 -2.026 0.642
21 HJ2 4N3 1 HJ2 DVA 1 -2.167 -3.614 -0.138
22 HK3 4N3 1 HK3 DVA 1 -2.430 -2.632 -2.353
23 HK2 4N3 1 HK2 DVA 1 -2.401 -0.985 -1.679
24 HK1 4N3 1 HK1 DVA 1 -3.780 -2.060 -1.343
25 H 4FO 2 H 4FO 2 5.237 3.815 -1.175
26 HA 4FO 2 HA 4FO 2 7.211 4.421 -2.332
27 HB2 4FO 2 HB2 4FO 2 8.264 6.578 -1.765
28 HB3 4FO 2 HB3 4FO 2 6.706 7.220 -1.181
29 HG3 4FO 2 HG3 4FO 2 7.863 4.798 0.311
30 HG2 4FO 2 HG2 4FO 2 6.818 6.148 0.881
31 HZ3 4FO 2 HZ3 4FO 2 8.579 7.332 1.501
32 HZ2 4FO 2 HZ1 4FO 2 9.604 5.989 1.121
33 HZ1 4FO 2 HZ2 4FO 2 9.293 7.203 -0.020
34 H GLY 3 H GLY 3 8.042 5.709 -4.120
35 HA2 GLY 3 HA2 GLY 3 6.159 5.974 -6.166
36 HA3 GLY 3 HA3 GLY 3 6.453 7.580 -5.517
37 H SER 4 H SER 4 7.227 5.774 -8.017
38 HA SER 4 HA SER 4 10.002 6.761 -8.132
39 HB2 SER 4 HB2 SER 4 10.219 4.831 -9.889
40 HB3 SER 4 HB3 SER 4 10.302 4.454 -8.169
41 HG SER 4 HG SER 4 8.852 3.126 -9.525
42 H TRP 5 H TRP 5 10.668 6.632 -10.654
43 HA TRP 5 HA TRP 5 8.910 8.557 -11.927
44 HB2 TRP 5 HB2 TRP 5 11.176 9.172 -12.077
45 HB3 TRP 5 HB3 TRP 5 11.682 7.540 -12.506
46 HD1 TRP 5 HD1 TRP 5 9.060 9.850 -14.208
47 HE1 TRP 5 HE1 TRP 5 9.670 10.027 -16.703
48 HE3 TRP 5 HE3 TRP 5 13.345 7.063 -14.195
49 HZ2 TRP 5 HZ2 TRP 5 11.699 9.106 -18.435
50 HZ3 TRP 5 HZ3 TRP 5 14.561 6.759 -16.312
51 HH2 TRP 5 HH2 TRP 5 13.753 7.760 -18.388
52 H SER 6 H SER 6 10.690 5.802 -13.315
53 HA SER 6 HA SER 6 9.029 5.442 -15.509
54 HB2 SER 6 HB2 SER 6 11.334 4.404 -15.030
55 HB3 SER 6 HB3 SER 6 10.450 3.149 -14.162
56 HG SER 6 HG SER 6 10.314 2.291 -16.083
57 H DAB 7 H DAB 7 7.979 3.139 -15.860
58 HA DAB 7 HA DAB 7 5.528 2.968 -14.220
59 HB2 DAB 7 HB2 DAB 7 5.742 2.331 -16.716
60 HB3 DAB 7 HB3 DAB 7 4.848 1.233 -15.630
61 HG2 DAB 7 HG2 DAB 7 6.044 -0.219 -17.053
62 HG3 DAB 7 HG3 DAB 7 7.028 -0.252 -15.547
63 HD1 DAB 7 HZ3 DAB 7 8.572 1.357 -16.641
64 HD2 DAB 7 HZ2 DAB 7 8.384 -0.061 -17.531
65 HZ1 DAB 7 HZ1 DAB 7 7.590 1.338 -18.067
66 H 4FO 8 H 4FO 8 8.719 1.823 -13.811
67 HA 4FO 8 HA 4FO 8 9.742 0.425 -12.187
68 HB2 4FO 8 HB2 4FO 8 8.524 -1.901 -11.990
69 HB3 4FO 8 HB3 4FO 8 7.375 -1.245 -13.188
70 HG3 4FO 8 HG3 4FO 8 8.965 -2.649 -14.415
71 HG2 4FO 8 HG2 4FO 8 10.363 -1.850 -13.611
72 HZ3 4FO 8 HZ3 4FO 8 9.000 -1.022 -15.995
73 HZ2 4FO 8 HZ1 4FO 8 9.070 0.257 -14.829
74 HZ1 4FO 8 HZ2 4FO 8 10.475 -0.545 -15.335
75 H PHE 9 H PHE 9 9.014 -1.182 -10.243
76 HA PHE 9 HA PHE 9 7.038 0.292 -8.639
77 HB2 PHE 9 HB2 PHE 9 8.179 -2.424 -7.991
78 HB3 PHE 9 HB3 PHE 9 6.730 -1.671 -7.332
79 HD1 PHE 9 HD2 PHE 9 5.397 -0.715 -9.765
80 HD2 PHE 9 HD1 PHE 9 7.437 -4.371 -8.998
81 HE1 PHE 9 HE2 PHE 9 4.035 -1.831 -11.483
82 HE2 PHE 9 HE1 PHE 9 6.080 -5.493 -10.716
83 HZ PHE 9 HZ PHE 9 4.375 -4.223 -11.961
84 H GLU 10 H GLU 10 7.587 1.208 -6.718
85 HA GLU 10 HA GLU 10 10.413 1.001 -5.905
86 HB2 GLU 10 HB2 GLU 10 9.307 3.245 -6.924
87 HB3 GLU 10 HB3 GLU 10 8.932 3.471 -5.221
88 HG2 GLU 10 HG2 GLU 10 11.707 2.786 -6.100
89 HG3 GLU 10 HG3 GLU 10 11.118 4.446 -6.158
90 H VAL 11 H VAL 11 7.069 1.343 -4.894
91 HA VAL 11 HA VAL 11 7.336 1.662 -2.168
92 HB VAL 11 HB VAL 11 5.182 0.333 -1.990
93 HG11 VAL 11 HG11 VAL 11 4.248 2.327 -2.262
94 HG12 VAL 11 HG12 VAL 11 5.714 2.884 -3.070
95 HG13 VAL 11 HG13 VAL 11 4.396 2.189 -4.013
96 HG21 VAL 11 HG21 VAL 11 5.409 0.290 -4.997
97 HG22 VAL 11 HG22 VAL 11 5.618 -1.114 -3.951
98 HG23 VAL 11 HG23 VAL 11 4.056 -0.299 -4.031
99 H20 28J 12 H 28J 12 7.741 -1.195 -4.147
100 H21 28J 12 HA 28J 12 9.351 -2.722 -2.301
101 H22 28J 12 HB 28J 12 8.920 -4.660 -3.723
102 H23 28J 12 HG21 28J 12 6.703 -4.899 -4.395
103 H24 28J 12 HG22 28J 12 6.401 -3.144 -4.448
104 H25 28J 12 HG23 28J 12 7.228 -3.947 -5.826
105 H26 28J 12 HG12 28J 12 9.468 -3.585 -6.017
106 H27 28J 12 HG13 28J 12 9.236 -1.990 -5.230
107 H28 28J 12 HD13 28J 12 11.040 -2.766 -3.464
108 H29 28J 12 HD11 28J 12 11.404 -4.093 -4.608
109 H30 28J 12 HD12 28J 12 11.612 -2.386 -5.132
110 H ALA 13 H ALA 13 5.906 -2.311 -2.438
111 HA ALA 13 HA ALA 13 4.244 -2.981 -1.035
112 HB1 ALA 13 HB1 ALA 13 4.110 -5.273 -0.450
113 HB2 ALA 13 HB2 ALA 13 4.906 -5.203 -2.023
114 HB3 ALA 13 HB3 ALA 13 5.858 -5.476 -0.564
Start of MODEL 13
1 H1 4N3 1 H DVA 1 2.383 2.007 -2.568
2 HA 4N3 1 HA DVA 1 1.463 4.400 -1.112
3 HB 4N3 1 HB DVA 1 -0.367 3.176 -2.319
4 HG13 4N3 1 HG13 DVA 1 0.336 4.216 -4.933
5 HG11 4N3 1 HG11 DVA 1 -0.216 2.606 -4.468
6 HG12 4N3 1 HG12 DVA 1 1.497 3.016 -4.360
7 HG22 4N3 1 HG22 DVA 1 -0.176 5.756 -3.733
8 HG23 4N3 1 HG23 DVA 1 0.011 5.824 -1.981
9 HG21 4N3 1 HG21 DVA 1 -1.446 5.123 -2.686
10 HD2 4N3 1 HD2 DVA 1 1.273 0.189 -0.739
11 HD1 4N3 1 HD1 DVA 1 3.026 0.131 -1.041
12 HE1 4N3 1 HE1 DVA 1 2.671 -0.873 1.132
13 HE2 4N3 1 HE2 DVA 1 3.345 0.746 1.431
14 HF2 4N3 1 HF2 DVA 1 0.354 0.113 1.431
15 HF1 4N3 1 HF1 DVA 1 1.124 1.646 1.911
16 HH1 4N3 1 HH1 DVA 1 0.858 0.669 4.011
17 HH2 4N3 1 HH2 DVA 1 2.464 0.030 3.585
18 HI1 4N3 1 HI1 DVA 1 -0.111 -1.456 2.905
19 HI2 4N3 1 HI2 DVA 1 1.553 -2.090 2.914
20 HJ1 4N3 1 HJ1 DVA 1 -0.028 -2.618 4.960
21 HJ2 4N3 1 HJ2 DVA 1 0.347 -0.950 5.453
22 HK3 4N3 1 HK3 DVA 1 2.678 -1.409 5.648
23 HK2 4N3 1 HK2 DVA 1 2.551 -2.909 4.698
24 HK1 4N3 1 HK1 DVA 1 1.896 -2.844 6.353
25 H 4FO 2 H 4FO 2 4.136 3.818 -1.885
26 HA 4FO 2 HA 4FO 2 6.024 4.919 -2.795
27 HB2 4FO 2 HB2 4FO 2 5.919 7.276 -2.959
28 HB3 4FO 2 HB3 4FO 2 4.267 7.243 -3.633
29 HG3 4FO 2 HG3 4FO 2 4.984 6.848 -0.634
30 HG2 4FO 2 HG2 4FO 2 3.342 6.671 -1.350
31 HZ3 4FO 2 HZ3 4FO 2 3.590 9.031 -2.205
32 HZ2 4FO 2 HZ1 4FO 2 3.506 8.873 -0.483
33 HZ1 4FO 2 HZ2 4FO 2 4.983 9.156 -1.266
34 H GLY 3 H GLY 3 6.931 5.897 -4.806
35 HA2 GLY 3 HA2 GLY 3 6.349 4.284 -7.001
36 HA3 GLY 3 HA3 GLY 3 5.502 5.804 -7.248
37 H SER 4 H SER 4 8.263 4.188 -7.950
38 HA SER 4 HA SER 4 10.218 6.239 -7.676
39 HB2 SER 4 HB2 SER 4 10.660 3.746 -7.921
40 HB3 SER 4 HB3 SER 4 10.316 3.945 -9.639
41 HG SER 4 HG SER 4 12.541 4.639 -8.205
42 H TRP 5 H TRP 5 11.478 6.466 -10.069
43 HA TRP 5 HA TRP 5 9.692 8.256 -11.490
44 HB2 TRP 5 HB2 TRP 5 11.813 9.205 -11.120
45 HB3 TRP 5 HB3 TRP 5 12.652 7.730 -11.591
46 HD1 TRP 5 HD1 TRP 5 10.045 9.842 -13.554
47 HE1 TRP 5 HE1 TRP 5 11.063 10.411 -15.849
48 HE3 TRP 5 HE3 TRP 5 14.647 7.698 -12.955
49 HZ2 TRP 5 HZ2 TRP 5 13.494 10.004 -17.223
50 HZ3 TRP 5 HZ3 TRP 5 16.261 7.832 -14.808
51 HH2 TRP 5 HH2 TRP 5 15.694 8.961 -16.897
52 H SER 6 H SER 6 12.134 5.986 -12.739
53 HA SER 6 HA SER 6 10.874 5.641 -15.223
54 HB2 SER 6 HB2 SER 6 13.310 5.081 -14.458
55 HB3 SER 6 HB3 SER 6 12.627 3.509 -14.040
56 HG SER 6 HG SER 6 12.943 3.090 -16.075
57 H DAB 7 H DAB 7 10.306 3.380 -16.053
58 HA DAB 7 HA DAB 7 7.830 2.391 -14.984
59 HB2 DAB 7 HB2 DAB 7 8.274 0.322 -16.344
60 HB3 DAB 7 HB3 DAB 7 9.974 0.827 -16.534
61 HG2 DAB 7 HG2 DAB 7 8.105 1.205 -18.461
62 HG3 DAB 7 HG3 DAB 7 9.511 2.314 -18.279
63 HD1 DAB 7 HZ3 DAB 7 7.035 3.210 -18.458
64 HD2 DAB 7 HZ2 DAB 7 6.953 2.818 -16.821
65 HZ1 DAB 7 HZ1 DAB 7 8.108 3.955 -17.320
66 H 4FO 8 H 4FO 8 7.396 0.241 -14.124
67 HA 4FO 8 HA 4FO 8 9.396 -0.935 -12.212
68 HB2 4FO 8 HB2 4FO 8 7.416 -2.419 -11.559
69 HB3 4FO 8 HB3 4FO 8 6.429 -1.529 -12.749
70 HG3 4FO 8 HG3 4FO 8 7.502 -3.925 -13.388
71 HG2 4FO 8 HG2 4FO 8 8.961 -2.928 -13.730
72 HZ3 4FO 8 HZ3 4FO 8 7.268 -3.339 -15.636
73 HZ2 4FO 8 HZ1 4FO 8 6.394 -2.026 -14.920
74 HZ1 4FO 8 HZ2 4FO 8 7.998 -1.834 -15.436
75 H PHE 9 H PHE 9 8.121 -1.487 -9.985
76 HA PHE 9 HA PHE 9 7.066 1.048 -8.943
77 HB2 PHE 9 HB2 PHE 9 7.049 -1.617 -7.529
78 HB3 PHE 9 HB3 PHE 9 6.085 -0.191 -7.161
79 HD1 PHE 9 HD2 PHE 9 5.068 0.559 -9.800
80 HD2 PHE 9 HD1 PHE 9 5.525 -3.282 -8.025
81 HE1 PHE 9 HE2 PHE 9 3.250 -0.306 -11.213
82 HE2 PHE 9 HE1 PHE 9 3.708 -4.155 -9.437
83 HZ PHE 9 HZ PHE 9 2.567 -2.666 -11.032
84 H GLU 10 H GLU 10 7.609 0.832 -6.291
85 HA GLU 10 HA GLU 10 10.509 0.507 -6.047
86 HB2 GLU 10 HB2 GLU 10 9.504 2.977 -6.483
87 HB3 GLU 10 HB3 GLU 10 9.384 2.906 -4.730
88 HG2 GLU 10 HG2 GLU 10 11.888 2.468 -6.342
89 HG3 GLU 10 HG3 GLU 10 11.471 3.930 -5.450
90 H VAL 11 H VAL 11 7.502 1.312 -4.329
91 HA VAL 11 HA VAL 11 8.295 0.803 -1.735
92 HB VAL 11 HB VAL 11 5.884 0.120 -1.334
93 HG11 VAL 11 HG11 VAL 11 6.970 2.522 -1.472
94 HG12 VAL 11 HG12 VAL 11 5.883 2.675 -2.854
95 HG13 VAL 11 HG13 VAL 11 5.233 2.309 -1.256
96 HG21 VAL 11 HG21 VAL 11 5.084 1.115 -3.968
97 HG22 VAL 11 HG22 VAL 11 5.882 -0.457 -4.001
98 HG23 VAL 11 HG23 VAL 11 4.439 -0.222 -3.016
99 H20 28J 12 H 28J 12 7.587 -1.398 -4.330
100 H21 28J 12 HA 28J 12 8.681 -3.758 -2.921
101 H22 28J 12 HB 28J 12 8.291 -4.983 -4.919
102 H23 28J 12 HG21 28J 12 6.337 -2.760 -5.874
103 H24 28J 12 HG22 28J 12 6.782 -4.227 -6.783
104 H25 28J 12 HG23 28J 12 5.859 -4.376 -5.248
105 H26 28J 12 HG12 28J 12 8.873 -2.061 -5.757
106 H27 28J 12 HG13 28J 12 10.054 -3.199 -5.032
107 H28 28J 12 HD13 28J 12 9.841 -4.745 -7.010
108 H29 28J 12 HD11 28J 12 8.604 -3.670 -7.730
109 H30 28J 12 HD12 28J 12 10.292 -3.080 -7.537
110 H ALA 13 H ALA 13 5.550 -2.340 -3.176
111 HA ALA 13 HA ALA 13 3.586 -2.851 -2.144
112 HB1 ALA 13 HB1 ALA 13 3.147 -4.419 -3.795
113 HB2 ALA 13 HB2 ALA 13 4.440 -5.494 -3.260
114 HB3 ALA 13 HB3 ALA 13 2.961 -5.353 -2.310
Start of MODEL 14
1 H1 4N3 1 H DVA 1 3.143 3.152 0.951
2 HA 4N3 1 HA DVA 1 4.704 0.875 0.000
3 HB 4N3 1 HB DVA 1 5.376 2.221 2.617
4 HG13 4N3 1 HG13 DVA 1 7.060 0.975 0.941
5 HG11 4N3 1 HG11 DVA 1 6.475 -0.414 1.859
6 HG12 4N3 1 HG12 DVA 1 7.238 0.939 2.697
7 HG22 4N3 1 HG22 DVA 1 4.654 0.166 3.715
8 HG23 4N3 1 HG23 DVA 1 4.134 -0.492 2.164
9 HG21 4N3 1 HG21 DVA 1 3.318 0.916 2.843
10 HD2 4N3 1 HD2 DVA 1 3.006 1.031 -1.443
11 HD1 4N3 1 HD1 DVA 1 2.413 -0.425 -0.609
12 HE1 4N3 1 HE1 DVA 1 0.752 0.161 -2.280
13 HE2 4N3 1 HE2 DVA 1 0.075 0.610 -0.697
14 HF2 4N3 1 HF2 DVA 1 1.416 2.482 -2.710
15 HF1 4N3 1 HF1 DVA 1 0.912 2.965 -1.072
16 HH1 4N3 1 HH1 DVA 1 -1.438 2.221 -1.646
17 HH2 4N3 1 HH2 DVA 1 -0.891 1.934 -3.315
18 HI1 4N3 1 HI1 DVA 1 -0.995 4.583 -1.804
19 HI2 4N3 1 HI2 DVA 1 -0.072 4.379 -3.313
20 HJ1 4N3 1 HJ1 DVA 1 -2.973 3.508 -3.189
21 HJ2 4N3 1 HJ2 DVA 1 -2.010 4.002 -4.602
22 HK3 4N3 1 HK3 DVA 1 -2.817 6.107 -4.374
23 HK2 4N3 1 HK2 DVA 1 -2.011 6.217 -2.791
24 HK1 4N3 1 HK1 DVA 1 -3.692 5.640 -2.895
25 H 4FO 2 H 4FO 2 4.354 2.928 -1.551
26 HA 4FO 2 HA 4FO 2 6.992 3.836 -2.207
27 HB2 4FO 2 HB2 4FO 2 5.410 5.734 -0.424
28 HB3 4FO 2 HB3 4FO 2 7.157 5.379 -0.498
29 HG3 4FO 2 HG3 4FO 2 5.604 7.225 -2.455
30 HG2 4FO 2 HG2 4FO 2 7.315 6.707 -2.662
31 HZ3 4FO 2 HZ3 4FO 2 6.672 8.937 -1.363
32 HZ2 4FO 2 HZ1 4FO 2 6.732 7.843 -0.022
33 HZ1 4FO 2 HZ2 4FO 2 8.056 8.023 -1.065
34 H GLY 3 H GLY 3 7.071 4.925 -4.172
35 HA2 GLY 3 HA2 GLY 3 5.352 4.307 -6.128
36 HA3 GLY 3 HA3 GLY 3 4.587 5.734 -5.445
37 H SER 4 H SER 4 6.484 4.751 -7.886
38 HA SER 4 HA SER 4 7.950 7.306 -7.998
39 HB2 SER 4 HB2 SER 4 8.865 4.604 -8.361
40 HB3 SER 4 HB3 SER 4 9.084 5.506 -9.860
41 HG SER 4 HG SER 4 10.227 7.073 -8.672
42 H TRP 5 H TRP 5 8.625 7.582 -10.519
43 HA TRP 5 HA TRP 5 6.069 7.913 -11.867
44 HB2 TRP 5 HB2 TRP 5 7.366 9.873 -11.957
45 HB3 TRP 5 HB3 TRP 5 8.840 8.986 -12.337
46 HD1 TRP 5 HD1 TRP 5 5.412 8.993 -14.170
47 HE1 TRP 5 HE1 TRP 5 5.846 9.547 -16.645
48 HE3 TRP 5 HE3 TRP 5 10.465 9.743 -13.960
49 HZ2 TRP 5 HZ2 TRP 5 8.040 10.212 -18.292
50 HZ3 TRP 5 HZ3 TRP 5 11.656 10.335 -16.030
51 HH2 TRP 5 HH2 TRP 5 10.467 10.564 -18.150
52 H SER 6 H SER 6 9.275 7.032 -13.143
53 HA SER 6 HA SER 6 8.368 5.691 -15.389
54 HB2 SER 6 HB2 SER 6 10.904 5.584 -13.802
55 HB3 SER 6 HB3 SER 6 10.651 4.404 -15.088
56 HG SER 6 HG SER 6 11.612 6.730 -15.439
57 H DAB 7 H DAB 7 8.817 3.319 -15.840
58 HA DAB 7 HA DAB 7 7.045 1.562 -14.349
59 HB2 DAB 7 HB2 DAB 7 7.944 1.295 -16.793
60 HB3 DAB 7 HB3 DAB 7 7.719 -0.142 -15.759
61 HG2 DAB 7 HG2 DAB 7 10.145 -0.340 -15.357
62 HG3 DAB 7 HG3 DAB 7 10.493 1.155 -16.298
63 HD1 DAB 7 HZ3 DAB 7 9.109 -0.315 -18.120
64 HD2 DAB 7 HZ2 DAB 7 10.782 -0.360 -17.925
65 HZ1 DAB 7 HZ1 DAB 7 9.854 -1.579 -17.200
66 H 4FO 8 H 4FO 8 8.285 -0.749 -13.849
67 HA 4FO 8 HA 4FO 8 10.490 -0.399 -11.846
68 HB2 4FO 8 HB2 4FO 8 9.983 -2.882 -11.375
69 HB3 4FO 8 HB3 4FO 8 8.726 -2.786 -12.638
70 HG3 4FO 8 HG3 4FO 8 11.582 -2.049 -13.480
71 HG2 4FO 8 HG2 4FO 8 10.229 -2.791 -14.407
72 HZ3 4FO 8 HZ3 4FO 8 11.082 -4.787 -14.023
73 HZ2 4FO 8 HZ1 4FO 8 12.329 -4.136 -13.013
74 HZ1 4FO 8 HZ2 4FO 8 10.826 -4.587 -12.369
75 H PHE 9 H PHE 9 9.879 -1.838 -9.733
76 HA PHE 9 HA PHE 9 7.441 -0.612 -8.627
77 HB2 PHE 9 HB2 PHE 9 8.873 -3.001 -7.471
78 HB3 PHE 9 HB3 PHE 9 7.243 -2.438 -7.119
79 HD1 PHE 9 HD2 PHE 9 6.195 -2.001 -9.840
80 HD2 PHE 9 HD1 PHE 9 8.574 -5.159 -8.264
81 HE1 PHE 9 HE2 PHE 9 5.301 -3.525 -11.552
82 HE2 PHE 9 HE1 PHE 9 7.684 -6.688 -9.974
83 HZ PHE 9 HZ PHE 9 6.044 -5.872 -11.620
84 H GLU 10 H GLU 10 7.613 0.762 -6.961
85 HA GLU 10 HA GLU 10 10.251 1.029 -5.675
86 HB2 GLU 10 HB2 GLU 10 8.584 2.987 -7.008
87 HB3 GLU 10 HB3 GLU 10 8.903 3.457 -5.344
88 HG2 GLU 10 HG2 GLU 10 11.152 2.562 -7.085
89 HG3 GLU 10 HG3 GLU 10 10.510 4.196 -7.245
90 H VAL 11 H VAL 11 6.781 0.981 -5.268
91 HA VAL 11 HA VAL 11 6.483 1.825 -2.660
92 HB VAL 11 HB VAL 11 4.561 0.170 -2.543
93 HG11 VAL 11 HG11 VAL 11 3.677 2.129 -3.196
94 HG12 VAL 11 HG12 VAL 11 4.935 2.411 -4.401
95 HG13 VAL 11 HG13 VAL 11 3.571 1.358 -4.778
96 HG21 VAL 11 HG21 VAL 11 5.333 -0.348 -5.412
97 HG22 VAL 11 HG22 VAL 11 5.579 -1.484 -4.086
98 HG23 VAL 11 HG23 VAL 11 3.944 -1.012 -4.551
99 H20 28J 12 H 28J 12 7.682 -1.212 -3.915
100 H21 28J 12 HA 28J 12 9.125 -2.060 -1.563
101 H22 28J 12 HB 28J 12 9.278 -4.263 -2.604
102 H23 28J 12 HG21 28J 12 7.421 -5.112 -3.672
103 H24 28J 12 HG22 28J 12 6.683 -3.501 -3.854
104 H25 28J 12 HG23 28J 12 7.856 -4.087 -5.082
105 H26 28J 12 HG12 28J 12 10.036 -3.498 -4.989
106 H27 28J 12 HG13 28J 12 9.482 -1.859 -4.515
107 H28 28J 12 HD13 28J 12 11.759 -1.726 -3.894
108 H29 28J 12 HD11 28J 12 11.040 -2.269 -2.348
109 H30 28J 12 HD12 28J 12 11.850 -3.464 -3.420
110 H ALA 13 H ALA 13 5.749 -2.325 -2.320
111 HA ALA 13 HA ALA 13 3.979 -2.897 -1.001
112 HB1 ALA 13 HB1 ALA 13 4.716 -5.121 -1.710
113 HB2 ALA 13 HB2 ALA 13 5.771 -5.219 -0.300
114 HB3 ALA 13 HB3 ALA 13 4.021 -5.153 -0.089
Start of MODEL 15
1 H1 4N3 1 H DVA 1 3.097 2.671 -1.330
2 HA 4N3 1 HA DVA 1 4.430 3.254 1.224
3 HB 4N3 1 HB DVA 1 2.046 3.866 1.079
4 HG13 4N3 1 HG13 DVA 1 2.564 6.135 -0.731
5 HG11 4N3 1 HG11 DVA 1 1.132 5.120 -0.560
6 HG12 4N3 1 HG12 DVA 1 2.518 4.539 -1.484
7 HG22 4N3 1 HG22 DVA 1 3.463 6.480 1.121
8 HG23 4N3 1 HG23 DVA 1 3.966 5.240 2.270
9 HG21 4N3 1 HG21 DVA 1 2.296 5.806 2.258
10 HD2 4N3 1 HD2 DVA 1 3.775 -0.811 -0.685
11 HD1 4N3 1 HD1 DVA 1 2.299 0.111 -0.315
12 HE1 4N3 1 HE1 DVA 1 2.443 1.257 -2.504
13 HE2 4N3 1 HE2 DVA 1 3.961 0.403 -2.868
14 HF2 4N3 1 HF2 DVA 1 2.578 -1.783 -2.469
15 HF1 4N3 1 HF1 DVA 1 2.306 -0.892 -3.987
16 HH1 4N3 1 HH1 DVA 1 0.633 -0.176 -1.578
17 HH2 4N3 1 HH2 DVA 1 0.243 -1.666 -2.470
18 HI1 4N3 1 HI1 DVA 1 -0.914 0.561 -3.224
19 HI2 4N3 1 HI2 DVA 1 0.666 0.960 -3.942
20 HJ1 4N3 1 HJ1 DVA 1 0.523 -1.432 -5.011
21 HJ2 4N3 1 HJ2 DVA 1 -0.469 -0.133 -5.715
22 HK3 4N3 1 HK3 DVA 1 -1.414 -2.214 -3.682
23 HK2 4N3 1 HK2 DVA 1 -1.834 -2.175 -5.411
24 HK1 4N3 1 HK1 DVA 1 -2.409 -0.886 -4.326
25 H 4FO 2 H 4FO 2 4.287 4.072 -2.168
26 HA 4FO 2 HA 4FO 2 7.031 4.870 -2.399
27 HB2 4FO 2 HB2 4FO 2 6.868 6.942 -1.348
28 HB3 4FO 2 HB3 4FO 2 6.485 7.362 -3.040
29 HG3 4FO 2 HG3 4FO 2 4.360 7.047 -0.792
30 HG2 4FO 2 HG2 4FO 2 4.045 7.444 -2.519
31 HZ3 4FO 2 HZ3 4FO 2 4.737 9.565 -2.289
32 HZ2 4FO 2 HZ1 4FO 2 4.453 9.313 -0.600
33 HZ1 4FO 2 HZ2 4FO 2 6.009 9.171 -1.257
34 H GLY 3 H GLY 3 7.437 4.257 -4.384
35 HA2 GLY 3 HA2 GLY 3 6.094 3.370 -6.390
36 HA3 GLY 3 HA3 GLY 3 5.566 5.041 -6.520
37 H SER 4 H SER 4 7.287 3.118 -8.196
38 HA SER 4 HA SER 4 9.913 4.096 -8.289
39 HB2 SER 4 HB2 SER 4 8.877 2.013 -9.434
40 HB3 SER 4 HB3 SER 4 8.465 3.123 -10.741
41 HG SER 4 HG SER 4 10.600 1.948 -10.766
42 H TRP 5 H TRP 5 10.477 4.921 -10.812
43 HA TRP 5 HA TRP 5 9.477 7.649 -10.760
44 HB2 TRP 5 HB2 TRP 5 11.815 7.563 -11.016
45 HB3 TRP 5 HB3 TRP 5 11.725 6.266 -12.205
46 HD1 TRP 5 HD1 TRP 5 10.028 9.763 -12.215
47 HE1 TRP 5 HE1 TRP 5 10.620 10.918 -14.438
48 HE3 TRP 5 HE3 TRP 5 13.094 6.185 -14.196
49 HZ2 TRP 5 HZ2 TRP 5 12.181 10.382 -16.728
50 HZ3 TRP 5 HZ3 TRP 5 14.096 6.583 -16.408
51 HH2 TRP 5 HH2 TRP 5 13.648 8.639 -17.646
52 H SER 6 H SER 6 10.192 5.503 -13.510
53 HA SER 6 HA SER 6 8.073 6.716 -15.048
54 HB2 SER 6 HB2 SER 6 10.113 6.173 -16.213
55 HB3 SER 6 HB3 SER 6 10.026 4.494 -15.681
56 HG SER 6 HG SER 6 8.093 5.761 -17.328
57 H DAB 7 H DAB 7 8.886 3.287 -14.598
58 HA DAB 7 HA DAB 7 6.012 2.658 -13.840
59 HB2 DAB 7 HB2 DAB 7 6.208 2.030 -16.223
60 HB3 DAB 7 HB3 DAB 7 6.064 0.606 -15.159
61 HG2 DAB 7 HG2 DAB 7 8.865 1.435 -16.028
62 HG3 DAB 7 HG3 DAB 7 7.811 0.624 -17.241
63 HD1 DAB 7 HZ3 DAB 7 9.104 -0.430 -14.799
64 HD2 DAB 7 HZ2 DAB 7 7.516 -0.942 -15.034
65 HZ1 DAB 7 HZ1 DAB 7 8.650 -1.250 -16.255
66 H 4FO 8 H 4FO 8 5.985 0.202 -13.187
67 HA 4FO 8 HA 4FO 8 8.277 -0.818 -11.617
68 HB2 4FO 8 HB2 4FO 8 6.519 -2.341 -10.582
69 HB3 4FO 8 HB3 4FO 8 5.269 -1.435 -11.475
70 HG3 4FO 8 HG3 4FO 8 6.284 -3.817 -12.394
71 HG2 4FO 8 HG2 4FO 8 7.466 -2.690 -13.150
72 HZ3 4FO 8 HZ3 4FO 8 4.509 -2.297 -13.473
73 HZ2 4FO 8 HZ1 4FO 8 5.809 -1.599 -14.380
74 HZ1 4FO 8 HZ2 4FO 8 5.448 -3.252 -14.496
75 H PHE 9 H PHE 9 7.690 -1.338 -9.184
76 HA PHE 9 HA PHE 9 6.714 1.118 -7.905
77 HB2 PHE 9 HB2 PHE 9 7.315 -1.504 -6.537
78 HB3 PHE 9 HB3 PHE 9 6.356 -0.160 -5.925
79 HD1 PHE 9 HD2 PHE 9 4.616 0.437 -8.200
80 HD2 PHE 9 HD1 PHE 9 5.874 -3.308 -6.616
81 HE1 PHE 9 HE2 PHE 9 2.577 -0.618 -9.084
82 HE2 PHE 9 HE1 PHE 9 3.837 -4.370 -7.499
83 HZ PHE 9 HZ PHE 9 2.185 -3.024 -8.734
84 H GLU 10 H GLU 10 7.912 1.258 -5.574
85 HA GLU 10 HA GLU 10 10.806 1.093 -6.041
86 HB2 GLU 10 HB2 GLU 10 9.654 3.433 -6.420
87 HB3 GLU 10 HB3 GLU 10 9.686 3.499 -4.663
88 HG2 GLU 10 HG2 GLU 10 12.168 2.981 -4.847
89 HG3 GLU 10 HG3 GLU 10 12.000 3.344 -6.563
90 H VAL 11 H VAL 11 8.183 1.558 -3.717
91 HA VAL 11 HA VAL 11 9.666 1.356 -1.358
92 HB VAL 11 HB VAL 11 7.514 0.529 -0.330
93 HG11 VAL 11 HG11 VAL 11 8.273 3.006 -0.969
94 HG12 VAL 11 HG12 VAL 11 6.796 2.914 -1.931
95 HG13 VAL 11 HG13 VAL 11 6.731 2.655 -0.187
96 HG21 VAL 11 HG21 VAL 11 5.951 1.215 -2.695
97 HG22 VAL 11 HG22 VAL 11 6.914 -0.249 -2.894
98 HG23 VAL 11 HG23 VAL 11 5.764 -0.124 -1.562
99 H20 28J 12 H 28J 12 8.607 -1.028 -3.641
100 H21 28J 12 HA 28J 12 10.155 -3.216 -2.340
101 H22 28J 12 HB 28J 12 9.647 -4.548 -4.242
102 H23 28J 12 HG21 28J 12 7.258 -4.426 -4.535
103 H24 28J 12 HG22 28J 12 7.249 -2.649 -4.664
104 H25 28J 12 HG23 28J 12 7.896 -3.637 -6.018
105 H26 28J 12 HG12 28J 12 9.770 -1.684 -5.387
106 H27 28J 12 HG13 28J 12 11.145 -2.459 -4.536
107 H28 28J 12 HD13 28J 12 9.799 -3.771 -7.002
108 H29 28J 12 HD11 28J 12 11.187 -2.646 -7.111
109 H30 28J 12 HD12 28J 12 11.370 -4.201 -6.227
110 H ALA 13 H ALA 13 6.899 -2.091 -2.256
111 HA ALA 13 HA ALA 13 5.104 -2.752 -1.021
112 HB1 ALA 13 HB1 ALA 13 5.341 -4.641 -2.758
113 HB2 ALA 13 HB2 ALA 13 5.942 -5.602 -1.406
114 HB3 ALA 13 HB3 ALA 13 4.319 -4.915 -1.347
Start of MODEL 16
1 H1 4N3 1 H DVA 1 2.932 2.482 -1.527
2 HA 4N3 1 HA DVA 1 4.319 2.009 1.032
3 HB 4N3 1 HB DVA 1 3.824 4.414 1.555
4 HG13 4N3 1 HG13 DVA 1 1.136 3.322 1.318
5 HG11 4N3 1 HG11 DVA 1 2.080 3.709 2.757
6 HG12 4N3 1 HG12 DVA 1 2.302 2.157 1.947
7 HG22 4N3 1 HG22 DVA 1 1.867 5.400 0.332
8 HG23 4N3 1 HG23 DVA 1 2.063 4.128 -0.873
9 HG21 4N3 1 HG21 DVA 1 3.355 5.297 -0.607
10 HD2 4N3 1 HD2 DVA 1 1.783 0.670 -2.411
11 HD1 4N3 1 HD1 DVA 1 1.971 -0.918 -1.630
12 HE1 4N3 1 HE1 DVA 1 0.515 1.401 -0.284
13 HE2 4N3 1 HE2 DVA 1 -0.321 0.234 -1.335
14 HF2 4N3 1 HF2 DVA 1 1.147 -0.315 1.281
15 HF1 4N3 1 HF1 DVA 1 0.706 -1.613 0.145
16 HH1 4N3 1 HH1 DVA 1 -1.106 -1.481 1.727
17 HH2 4N3 1 HH2 DVA 1 -1.697 -0.693 0.245
18 HI1 4N3 1 HI1 DVA 1 -0.742 0.610 2.826
19 HI2 4N3 1 HI2 DVA 1 -0.828 1.521 1.298
20 HJ1 4N3 1 HJ1 DVA 1 -3.267 0.653 1.123
21 HJ2 4N3 1 HJ2 DVA 1 -2.943 1.901 2.351
22 HK3 4N3 1 HK3 DVA 1 -2.404 -0.387 3.782
23 HK2 4N3 1 HK2 DVA 1 -3.693 -0.966 2.699
24 HK1 4N3 1 HK1 DVA 1 -3.988 0.426 3.770
25 H 4FO 2 H 4FO 2 4.221 3.840 -1.978
26 HA 4FO 2 HA 4FO 2 7.023 3.659 -2.553
27 HB2 4FO 2 HB2 4FO 2 6.200 6.199 -1.030
28 HB3 4FO 2 HB3 4FO 2 7.583 5.101 -0.770
29 HG3 4FO 2 HG3 4FO 2 7.421 6.923 -3.276
30 HG2 4FO 2 HG2 4FO 2 8.822 5.989 -2.641
31 HZ3 4FO 2 HZ3 4FO 2 9.409 7.700 -1.382
32 HZ2 4FO 2 HZ1 4FO 2 8.055 8.629 -1.933
33 HZ1 4FO 2 HZ2 4FO 2 7.938 7.640 -0.561
34 H GLY 3 H GLY 3 7.612 4.735 -4.497
35 HA2 GLY 3 HA2 GLY 3 6.106 4.603 -6.624
36 HA3 GLY 3 HA3 GLY 3 5.427 6.068 -5.931
37 H SER 4 H SER 4 7.134 5.324 -8.398
38 HA SER 4 HA SER 4 8.954 7.614 -8.122
39 HB2 SER 4 HB2 SER 4 10.150 5.368 -7.917
40 HB3 SER 4 HB3 SER 4 9.738 5.108 -9.612
41 HG SER 4 HG SER 4 11.579 6.129 -9.873
42 H TRP 5 H TRP 5 9.975 7.866 -10.550
43 HA TRP 5 HA TRP 5 7.646 8.497 -12.169
44 HB2 TRP 5 HB2 TRP 5 9.168 10.288 -12.070
45 HB3 TRP 5 HB3 TRP 5 10.560 9.234 -12.307
46 HD1 TRP 5 HD1 TRP 5 7.382 9.675 -14.502
47 HE1 TRP 5 HE1 TRP 5 8.150 10.197 -16.902
48 HE3 TRP 5 HE3 TRP 5 12.433 9.803 -13.726
49 HZ2 TRP 5 HZ2 TRP 5 10.577 10.608 -18.284
50 HZ3 TRP 5 HZ3 TRP 5 13.909 10.267 -15.640
51 HH2 TRP 5 HH2 TRP 5 12.998 10.660 -17.871
52 H SER 6 H SER 6 10.848 7.250 -13.106
53 HA SER 6 HA SER 6 10.028 6.042 -15.465
54 HB2 SER 6 HB2 SER 6 12.394 6.458 -14.856
55 HB3 SER 6 HB3 SER 6 12.302 5.156 -13.670
56 HG SER 6 HG SER 6 12.744 3.855 -15.244
57 H DAB 7 H DAB 7 9.886 3.798 -16.042
58 HA DAB 7 HA DAB 7 7.935 2.203 -14.661
59 HB2 DAB 7 HB2 DAB 7 10.226 1.280 -16.529
60 HB3 DAB 7 HB3 DAB 7 8.629 1.896 -17.032
61 HG2 DAB 7 HG2 DAB 7 7.511 -0.079 -15.912
62 HG3 DAB 7 HG3 DAB 7 9.125 -0.784 -15.539
63 HD1 DAB 7 HZ3 DAB 7 9.213 -0.213 -18.267
64 HD2 DAB 7 HZ2 DAB 7 8.944 -1.712 -17.546
65 HZ1 DAB 7 HZ1 DAB 7 7.600 -0.788 -18.007
66 H 4FO 8 H 4FO 8 8.239 0.063 -13.722
67 HA 4FO 8 HA 4FO 8 10.583 -0.016 -11.771
68 HB2 4FO 8 HB2 4FO 8 9.830 -2.469 -11.433
69 HB3 4FO 8 HB3 4FO 8 8.741 -2.235 -12.827
70 HG3 4FO 8 HG3 4FO 8 11.832 -2.357 -12.877
71 HG2 4FO 8 HG2 4FO 8 10.869 -1.649 -14.223
72 HZ3 4FO 8 HZ3 4FO 8 10.723 -4.482 -13.250
73 HZ2 4FO 8 HZ1 4FO 8 9.608 -3.779 -14.373
74 HZ1 4FO 8 HZ2 4FO 8 11.261 -3.890 -14.733
75 H PHE 9 H PHE 9 9.685 -1.463 -9.771
76 HA PHE 9 HA PHE 9 7.315 -0.001 -8.806
77 HB2 PHE 9 HB2 PHE 9 8.202 -2.684 -7.756
78 HB3 PHE 9 HB3 PHE 9 6.650 -1.884 -7.528
79 HD1 PHE 9 HD2 PHE 9 6.058 -1.061 -10.311
80 HD2 PHE 9 HD1 PHE 9 7.627 -4.700 -8.759
81 HE1 PHE 9 HE2 PHE 9 5.147 -2.276 -12.248
82 HE2 PHE 9 HE1 PHE 9 6.720 -5.921 -10.694
83 HZ PHE 9 HZ PHE 9 5.477 -4.709 -12.440
84 H GLU 10 H GLU 10 7.533 1.178 -7.003
85 HA GLU 10 HA GLU 10 10.041 0.897 -5.482
86 HB2 GLU 10 HB2 GLU 10 8.571 3.287 -6.465
87 HB3 GLU 10 HB3 GLU 10 9.349 3.410 -4.893
88 HG2 GLU 10 HG2 GLU 10 10.899 4.228 -6.454
89 HG3 GLU 10 HG3 GLU 10 11.464 2.620 -6.006
90 H VAL 11 H VAL 11 6.582 1.211 -5.360
91 HA VAL 11 HA VAL 11 6.142 1.870 -2.709
92 HB VAL 11 HB VAL 11 4.039 0.466 -2.916
93 HG11 VAL 11 HG11 VAL 11 3.595 2.647 -3.396
94 HG12 VAL 11 HG12 VAL 11 4.824 2.736 -4.659
95 HG13 VAL 11 HG13 VAL 11 3.280 1.947 -4.983
96 HG21 VAL 11 HG21 VAL 11 4.753 0.201 -5.812
97 HG22 VAL 11 HG22 VAL 11 5.214 -1.048 -4.655
98 HG23 VAL 11 HG23 VAL 11 3.513 -0.646 -4.887
99 H20 28J 12 H 28J 12 7.279 -1.079 -4.135
100 H21 28J 12 HA 28J 12 8.215 -2.311 -1.676
101 H22 28J 12 HB 28J 12 8.667 -4.281 -2.967
102 H23 28J 12 HG21 28J 12 6.259 -3.446 -4.544
103 H24 28J 12 HG22 28J 12 7.617 -3.920 -5.595
104 H25 28J 12 HG23 28J 12 7.009 -5.069 -4.354
105 H26 28J 12 HG12 28J 12 8.977 -1.906 -4.921
106 H27 28J 12 HG13 28J 12 9.965 -2.118 -3.440
107 H28 28J 12 HD13 28J 12 9.824 -4.384 -5.535
108 H29 28J 12 HD11 28J 12 10.948 -3.003 -5.718
109 H30 28J 12 HD12 28J 12 11.078 -4.070 -4.276
110 H ALA 13 H ALA 13 5.072 -2.193 -3.081
111 HA ALA 13 HA ALA 13 3.058 -2.999 -2.390
112 HB1 ALA 13 HB1 ALA 13 4.415 -5.183 -2.839
113 HB2 ALA 13 HB2 ALA 13 4.361 -5.344 -1.083
114 HB3 ALA 13 HB3 ALA 13 2.862 -5.259 -2.007
Start of MODEL 17
1 H1 4N3 1 H DVA 1 1.107 3.464 -1.353
2 HA 4N3 1 HA DVA 1 3.355 4.205 -0.103
3 HB 4N3 1 HB DVA 1 2.514 6.598 -0.146
4 HG13 4N3 1 HG13 DVA 1 1.881 5.190 1.658
5 HG11 4N3 1 HG11 DVA 1 0.713 4.325 0.660
6 HG12 4N3 1 HG12 DVA 1 0.415 6.005 1.109
7 HG22 4N3 1 HG22 DVA 1 -0.065 5.780 -1.249
8 HG23 4N3 1 HG23 DVA 1 1.236 5.809 -2.439
9 HG21 4N3 1 HG21 DVA 1 0.863 7.258 -1.505
10 HD2 4N3 1 HD2 DVA 1 2.924 0.651 -2.916
11 HD1 4N3 1 HD1 DVA 1 3.472 1.134 -1.293
12 HE1 4N3 1 HE1 DVA 1 1.128 1.385 -0.551
13 HE2 4N3 1 HE2 DVA 1 0.549 0.990 -2.186
14 HF2 4N3 1 HF2 DVA 1 2.237 -0.877 -0.448
15 HF1 4N3 1 HF1 DVA 1 1.516 -1.264 -2.030
16 HH1 4N3 1 HH1 DVA 1 -0.738 -1.045 -1.125
17 HH2 4N3 1 HH2 DVA 1 -0.107 -0.433 0.422
18 HI1 4N3 1 HI1 DVA 1 0.461 -3.211 -0.728
19 HI2 4N3 1 HI2 DVA 1 1.008 -2.595 0.851
20 HJ1 4N3 1 HJ1 DVA 1 -1.605 -2.125 1.187
21 HJ2 4N3 1 HJ2 DVA 1 -0.923 -3.737 1.503
22 HK3 4N3 1 HK3 DVA 1 -1.485 -3.632 -1.295
23 HK2 4N3 1 HK2 DVA 1 -2.912 -2.962 -0.469
24 HK1 4N3 1 HK1 DVA 1 -2.329 -4.593 -0.057
25 H 4FO 2 H 4FO 2 5.179 3.843 -1.341
26 HA 4FO 2 HA 4FO 2 7.097 4.535 -2.543
27 HB2 4FO 2 HB2 4FO 2 6.161 6.816 -1.334
28 HB3 4FO 2 HB3 4FO 2 7.620 6.706 -2.356
29 HG3 4FO 2 HG3 4FO 2 5.125 7.386 -3.929
30 HG2 4FO 2 HG2 4FO 2 6.794 8.059 -3.986
31 HZ3 4FO 2 HZ3 4FO 2 5.205 9.720 -3.190
32 HZ2 4FO 2 HZ1 4FO 2 4.835 8.742 -1.810
33 HZ1 4FO 2 HZ2 4FO 2 6.394 9.364 -2.050
34 H GLY 3 H GLY 3 7.865 4.849 -4.649
35 HA2 GLY 3 HA2 GLY 3 6.516 3.715 -6.697
36 HA3 GLY 3 HA3 GLY 3 6.005 5.394 -6.795
37 H SER 4 H SER 4 7.849 3.444 -8.380
38 HA SER 4 HA SER 4 10.452 4.478 -8.346
39 HB2 SER 4 HB2 SER 4 9.648 2.354 -9.486
40 HB3 SER 4 HB3 SER 4 9.068 3.381 -10.797
41 HG SER 4 HG SER 4 11.095 2.810 -11.383
42 H TRP 5 H TRP 5 11.156 5.302 -10.820
43 HA TRP 5 HA TRP 5 10.095 8.005 -10.862
44 HB2 TRP 5 HB2 TRP 5 12.445 7.961 -10.988
45 HB3 TRP 5 HB3 TRP 5 12.445 6.653 -12.168
46 HD1 TRP 5 HD1 TRP 5 10.686 10.117 -12.304
47 HE1 TRP 5 HE1 TRP 5 11.378 11.264 -14.502
48 HE3 TRP 5 HE3 TRP 5 13.921 6.580 -14.081
49 HZ2 TRP 5 HZ2 TRP 5 13.071 10.738 -16.698
50 HZ3 TRP 5 HZ3 TRP 5 15.035 6.978 -16.238
51 HH2 TRP 5 HH2 TRP 5 14.617 9.015 -17.519
52 H SER 6 H SER 6 11.003 5.849 -13.547
53 HA SER 6 HA SER 6 8.961 7.010 -15.219
54 HB2 SER 6 HB2 SER 6 9.835 5.302 -16.894
55 HB3 SER 6 HB3 SER 6 11.006 6.490 -16.322
56 HG SER 6 HG SER 6 11.750 4.263 -16.333
57 H DAB 7 H DAB 7 9.766 3.595 -14.664
58 HA DAB 7 HA DAB 7 6.879 2.960 -13.992
59 HB2 DAB 7 HB2 DAB 7 8.362 0.922 -15.678
60 HB3 DAB 7 HB3 DAB 7 7.876 2.426 -16.505
61 HG2 DAB 7 HG2 DAB 7 6.051 0.317 -15.217
62 HG3 DAB 7 HG3 DAB 7 6.095 0.830 -16.942
63 HD1 DAB 7 HZ3 DAB 7 4.325 1.718 -15.066
64 HD2 DAB 7 HZ2 DAB 7 5.507 2.912 -14.939
65 HZ1 DAB 7 HZ1 DAB 7 4.777 2.658 -16.448
66 H 4FO 8 H 4FO 8 6.871 0.445 -13.453
67 HA 4FO 8 HA 4FO 8 9.150 -0.560 -11.840
68 HB2 4FO 8 HB2 4FO 8 7.345 -2.161 -10.920
69 HB3 4FO 8 HB3 4FO 8 6.174 -1.311 -11.965
70 HG3 4FO 8 HG3 4FO 8 8.499 -3.138 -12.888
71 HG2 4FO 8 HG2 4FO 8 7.646 -2.001 -13.992
72 HZ3 4FO 8 HZ3 4FO 8 6.606 -4.155 -14.136
73 HZ2 4FO 8 HZ1 4FO 8 6.278 -4.181 -12.436
74 HZ1 4FO 8 HZ2 4FO 8 5.542 -3.041 -13.452
75 H PHE 9 H PHE 9 8.299 -1.278 -9.464
76 HA PHE 9 HA PHE 9 7.446 1.213 -8.144
77 HB2 PHE 9 HB2 PHE 9 7.351 -1.539 -6.913
78 HB3 PHE 9 HB3 PHE 9 6.536 -0.077 -6.367
79 HD1 PHE 9 HD2 PHE 9 5.377 0.901 -8.896
80 HD2 PHE 9 HD1 PHE 9 5.626 -3.039 -7.304
81 HE1 PHE 9 HE2 PHE 9 3.374 0.261 -10.174
82 HE2 PHE 9 HE1 PHE 9 3.625 -3.685 -8.581
83 HZ PHE 9 HZ PHE 9 2.495 -2.034 -10.017
84 H GLU 10 H GLU 10 8.300 1.239 -5.761
85 HA GLU 10 HA GLU 10 11.144 0.478 -5.772
86 HB2 GLU 10 HB2 GLU 10 9.878 3.122 -5.218
87 HB3 GLU 10 HB3 GLU 10 11.305 2.672 -4.295
88 HG2 GLU 10 HG2 GLU 10 11.173 2.694 -7.299
89 HG3 GLU 10 HG3 GLU 10 11.779 4.027 -6.317
90 H VAL 11 H VAL 11 8.274 1.208 -3.862
91 HA VAL 11 HA VAL 11 9.301 0.683 -1.315
92 HB VAL 11 HB VAL 11 6.947 0.189 -0.663
93 HG11 VAL 11 HG11 VAL 11 8.078 2.562 -1.282
94 HG12 VAL 11 HG12 VAL 11 6.663 2.594 -2.336
95 HG13 VAL 11 HG13 VAL 11 6.463 2.389 -0.595
96 HG21 VAL 11 HG21 VAL 11 5.664 1.002 -3.077
97 HG22 VAL 11 HG22 VAL 11 6.691 -0.391 -3.417
98 HG23 VAL 11 HG23 VAL 11 5.456 -0.491 -2.162
99 H20 28J 12 H 28J 12 8.323 -1.407 -3.904
100 H21 28J 12 HA 28J 12 9.384 -3.853 -2.616
101 H22 28J 12 HB 28J 12 8.848 -5.001 -4.628
102 H23 28J 12 HG21 28J 12 6.903 -2.678 -5.324
103 H24 28J 12 HG22 28J 12 7.330 -4.005 -6.434
104 H25 28J 12 HG23 28J 12 6.462 -4.369 -4.903
105 H26 28J 12 HG12 28J 12 9.812 -3.536 -6.417
106 H27 28J 12 HG13 28J 12 9.515 -2.087 -5.402
107 H28 28J 12 HD13 28J 12 11.302 -4.396 -4.376
108 H29 28J 12 HD11 28J 12 11.938 -3.066 -5.390
109 H30 28J 12 HD12 28J 12 11.207 -2.693 -3.791
110 H ALA 13 H ALA 13 6.236 -2.381 -2.883
111 HA ALA 13 HA ALA 13 4.299 -2.824 -1.764
112 HB1 ALA 13 HB1 ALA 13 4.184 -4.502 -3.565
113 HB2 ALA 13 HB2 ALA 13 4.957 -5.674 -2.498
114 HB3 ALA 13 HB3 ALA 13 3.366 -5.030 -2.095
Start of MODEL 18
1 H1 4N3 1 H DVA 1 3.159 3.794 -0.419
2 HA 4N3 1 HA DVA 1 4.903 1.544 -0.189
3 HB 4N3 1 HB DVA 1 3.859 1.629 2.098
4 HG13 4N3 1 HG13 DVA 1 4.235 3.394 3.570
5 HG11 4N3 1 HG11 DVA 1 3.848 4.202 2.051
6 HG12 4N3 1 HG12 DVA 1 5.527 4.073 2.578
7 HG22 4N3 1 HG22 DVA 1 6.543 1.290 1.329
8 HG23 4N3 1 HG23 DVA 1 5.735 0.629 2.750
9 HG21 4N3 1 HG21 DVA 1 6.569 2.180 2.850
10 HD2 4N3 1 HD2 DVA 1 3.390 0.828 -1.641
11 HD1 4N3 1 HD1 DVA 1 2.826 -0.101 -0.232
12 HE1 4N3 1 HE1 DVA 1 1.486 -0.630 -2.275
13 HE2 4N3 1 HE2 DVA 1 0.482 0.120 -1.013
14 HF2 4N3 1 HF2 DVA 1 1.789 1.703 -3.276
15 HF1 4N3 1 HF1 DVA 1 0.551 2.273 -2.130
16 HH1 4N3 1 HH1 DVA 1 -0.006 -0.124 -3.903
17 HH2 4N3 1 HH2 DVA 1 -0.197 1.525 -4.545
18 HI1 4N3 1 HI1 DVA 1 -1.727 0.150 -2.320
19 HI2 4N3 1 HI2 DVA 1 -1.573 1.924 -2.313
20 HJ1 4N3 1 HJ1 DVA 1 -2.654 0.245 -4.630
21 HJ2 4N3 1 HJ2 DVA 1 -2.508 2.019 -4.613
22 HK3 4N3 1 HK3 DVA 1 -4.561 0.286 -3.375
23 HK2 4N3 1 HK2 DVA 1 -4.633 2.018 -3.781
24 HK1 4N3 1 HK1 DVA 1 -3.893 1.493 -2.250
25 H 4FO 2 H 4FO 2 4.554 4.023 -1.686
26 HA 4FO 2 HA 4FO 2 7.325 4.748 -2.026
27 HB2 4FO 2 HB2 4FO 2 7.355 6.059 -0.032
28 HB3 4FO 2 HB3 4FO 2 7.129 7.200 -1.385
29 HG3 4FO 2 HG3 4FO 2 4.821 6.291 0.490
30 HG2 4FO 2 HG2 4FO 2 4.735 7.491 -0.848
31 HZ3 4FO 2 HZ3 4FO 2 6.771 8.010 1.235
32 HZ2 4FO 2 HZ1 4FO 2 5.751 9.097 0.352
33 HZ1 4FO 2 HZ2 4FO 2 5.148 8.190 1.651
34 H GLY 3 H GLY 3 7.630 5.742 -3.940
35 HA2 GLY 3 HA2 GLY 3 5.328 5.979 -5.655
36 HA3 GLY 3 HA3 GLY 3 6.096 7.521 -5.309
37 H SER 4 H SER 4 5.961 5.088 -7.493
38 HA SER 4 HA SER 4 8.761 5.435 -8.333
39 HB2 SER 4 HB2 SER 4 7.701 3.398 -9.891
40 HB3 SER 4 HB3 SER 4 8.716 3.189 -8.464
41 HG SER 4 HG SER 4 6.663 3.283 -7.259
42 H TRP 5 H TRP 5 9.241 5.989 -10.458
43 HA TRP 5 HA TRP 5 7.098 7.412 -11.835
44 HB2 TRP 5 HB2 TRP 5 9.010 8.764 -11.614
45 HB3 TRP 5 HB3 TRP 5 10.099 7.448 -12.042
46 HD1 TRP 5 HD1 TRP 5 7.072 8.902 -14.001
47 HE1 TRP 5 HE1 TRP 5 7.888 9.514 -16.365
48 HE3 TRP 5 HE3 TRP 5 12.019 7.718 -13.486
49 HZ2 TRP 5 HZ2 TRP 5 10.307 9.497 -17.818
50 HZ3 TRP 5 HZ3 TRP 5 13.517 8.045 -15.411
51 HH2 TRP 5 HH2 TRP 5 12.676 8.916 -17.531
52 H SER 6 H SER 6 9.878 5.564 -13.075
53 HA SER 6 HA SER 6 8.716 4.882 -15.506
54 HB2 SER 6 HB2 SER 6 11.175 4.642 -14.680
55 HB3 SER 6 HB3 SER 6 10.665 3.040 -14.148
56 HG SER 6 HG SER 6 11.458 2.886 -16.234
57 H DAB 7 H DAB 7 8.752 2.304 -16.024
58 HA DAB 7 HA DAB 7 6.256 1.148 -15.160
59 HB2 DAB 7 HB2 DAB 7 7.644 -1.104 -15.806
60 HB3 DAB 7 HB3 DAB 7 8.806 0.096 -16.434
61 HG2 DAB 7 HG2 DAB 7 5.861 -0.072 -17.339
62 HG3 DAB 7 HG3 DAB 7 7.230 -0.835 -18.224
63 HD1 DAB 7 HZ3 DAB 7 7.925 1.242 -18.980
64 HD2 DAB 7 HZ2 DAB 7 6.278 1.546 -18.795
65 HZ1 DAB 7 HZ1 DAB 7 7.338 2.095 -17.592
66 H 4FO 8 H 4FO 8 9.581 0.580 -13.933
67 HA 4FO 8 HA 4FO 8 10.377 -0.299 -11.876
68 HB2 4FO 8 HB2 4FO 8 9.113 -2.427 -11.125
69 HB3 4FO 8 HB3 4FO 8 7.957 -2.103 -12.445
70 HG3 4FO 8 HG3 4FO 8 9.643 -2.567 -14.187
71 HG2 4FO 8 HG2 4FO 8 9.649 -3.896 -12.973
72 HZ3 4FO 8 HZ3 4FO 8 11.724 -3.403 -12.249
73 HZ2 4FO 8 HZ1 4FO 8 11.891 -2.654 -13.802
74 HZ1 4FO 8 HZ2 4FO 8 11.529 -1.738 -12.422
75 H PHE 9 H PHE 9 9.389 -1.218 -9.622
76 HA PHE 9 HA PHE 9 7.540 0.886 -8.706
77 HB2 PHE 9 HB2 PHE 9 7.921 -1.769 -7.329
78 HB3 PHE 9 HB3 PHE 9 6.623 -0.601 -7.102
79 HD1 PHE 9 HD2 PHE 9 5.907 -0.033 -9.916
80 HD2 PHE 9 HD1 PHE 9 6.807 -3.706 -7.964
81 HE1 PHE 9 HE2 PHE 9 4.533 -1.240 -11.562
82 HE2 PHE 9 HE1 PHE 9 5.435 -4.919 -9.607
83 HZ PHE 9 HZ PHE 9 4.295 -3.686 -11.408
84 H GLU 10 H GLU 10 7.996 1.943 -6.778
85 HA GLU 10 HA GLU 10 10.724 1.524 -5.747
86 HB2 GLU 10 HB2 GLU 10 10.370 3.672 -6.960
87 HB3 GLU 10 HB3 GLU 10 9.148 4.102 -5.772
88 HG2 GLU 10 HG2 GLU 10 11.256 5.188 -5.281
89 HG3 GLU 10 HG3 GLU 10 10.826 4.047 -4.008
90 H VAL 11 H VAL 11 7.372 1.781 -4.988
91 HA VAL 11 HA VAL 11 7.356 2.485 -2.322
92 HB VAL 11 HB VAL 11 5.320 1.088 -2.092
93 HG11 VAL 11 HG11 VAL 11 4.161 2.717 -3.079
94 HG12 VAL 11 HG12 VAL 11 5.709 3.338 -3.655
95 HG13 VAL 11 HG13 VAL 11 4.750 2.269 -4.679
96 HG21 VAL 11 HG21 VAL 11 6.480 -0.236 -4.380
97 HG22 VAL 11 HG22 VAL 11 5.171 -0.762 -3.322
98 HG23 VAL 11 HG23 VAL 11 4.824 0.271 -4.709
99 H20 28J 12 H 28J 12 8.381 -0.467 -3.846
100 H21 28J 12 HA 28J 12 9.710 -1.530 -1.435
101 H22 28J 12 HB 28J 12 10.591 -1.948 -3.716
102 H23 28J 12 HG21 28J 12 9.708 -4.501 -2.178
103 H24 28J 12 HG22 28J 12 10.962 -4.467 -3.443
104 H25 28J 12 HG23 28J 12 11.209 -3.548 -1.919
105 H26 28J 12 HG12 28J 12 7.969 -3.536 -4.114
106 H27 28J 12 HG13 28J 12 8.494 -2.056 -4.980
107 H28 28J 12 HD13 28J 12 8.913 -3.978 -6.464
108 H29 28J 12 HD11 28J 12 10.497 -3.352 -5.914
109 H30 28J 12 HD12 28J 12 9.826 -4.847 -5.173
110 H ALA 13 H ALA 13 6.580 -2.041 -2.915
111 HA ALA 13 HA ALA 13 4.692 -3.004 -2.075
112 HB1 ALA 13 HB1 ALA 13 4.796 -5.280 -1.874
113 HB2 ALA 13 HB2 ALA 13 6.331 -4.971 -2.686
114 HB3 ALA 13 HB3 ALA 13 6.293 -5.241 -0.943
Start of MODEL 19
1 H1 4N3 1 H DVA 1 4.147 4.275 0.471
2 HA 4N3 1 HA DVA 1 5.275 1.835 -0.694
3 HB 4N3 1 HB DVA 1 6.659 1.757 1.380
4 HG13 4N3 1 HG13 DVA 1 4.884 0.996 2.816
5 HG11 4N3 1 HG11 DVA 1 4.501 0.560 1.151
6 HG12 4N3 1 HG12 DVA 1 3.696 1.935 1.909
7 HG22 4N3 1 HG22 DVA 1 4.909 4.043 2.283
8 HG23 4N3 1 HG23 DVA 1 6.611 4.185 1.844
9 HG21 4N3 1 HG21 DVA 1 6.138 3.212 3.236
10 HD2 4N3 1 HD2 DVA 1 2.695 1.746 -2.296
11 HD1 4N3 1 HD1 DVA 1 3.092 1.419 -0.592
12 HE1 4N3 1 HE1 DVA 1 1.102 2.530 0.183
13 HE2 4N3 1 HE2 DVA 1 0.805 3.264 -1.411
14 HF2 4N3 1 HF2 DVA 1 0.807 0.247 -0.931
15 HF1 4N3 1 HF1 DVA 1 0.251 1.112 -2.384
16 HH1 4N3 1 HH1 DVA 1 -1.794 0.751 -1.313
17 HH2 4N3 1 HH2 DVA 1 -1.355 2.334 -0.628
18 HI1 4N3 1 HI1 DVA 1 -0.145 0.918 1.231
19 HI2 4N3 1 HI2 DVA 1 -1.917 1.072 1.296
20 HJ1 4N3 1 HJ1 DVA 1 -0.309 -1.278 0.191
21 HJ2 4N3 1 HJ2 DVA 1 -2.069 -1.105 -0.011
22 HK3 4N3 1 HK3 DVA 1 -0.783 -0.949 2.740
23 HK2 4N3 1 HK2 DVA 1 -1.207 -2.517 2.014
24 HK1 4N3 1 HK1 DVA 1 -2.476 -1.308 2.325
25 H 4FO 2 H 4FO 2 5.574 4.228 -2.129
26 HA 4FO 2 HA 4FO 2 8.402 4.102 -2.774
27 HB2 4FO 2 HB2 4FO 2 8.604 5.502 -0.664
28 HB3 4FO 2 HB3 4FO 2 9.217 6.247 -2.164
29 HG3 4FO 2 HG3 4FO 2 6.382 7.045 -1.328
30 HG2 4FO 2 HG2 4FO 2 7.678 7.972 -2.165
31 HZ3 4FO 2 HZ3 4FO 2 7.071 8.049 0.575
32 HZ2 4FO 2 HZ1 4FO 2 8.658 7.377 0.414
33 HZ1 4FO 2 HZ2 4FO 2 8.262 8.867 -0.291
34 H GLY 3 H GLY 3 8.814 4.956 -4.756
35 HA2 GLY 3 HA2 GLY 3 6.468 5.749 -6.275
36 HA3 GLY 3 HA3 GLY 3 7.742 6.955 -6.177
37 H SER 4 H SER 4 9.183 6.937 -7.761
38 HA SER 4 HA SER 4 10.383 6.287 -9.581
39 HB2 SER 4 HB2 SER 4 10.288 3.658 -8.091
40 HB3 SER 4 HB3 SER 4 11.258 3.919 -9.540
41 HG SER 4 HG SER 4 11.461 5.538 -7.224
42 H TRP 5 H TRP 5 8.929 6.610 -11.215
43 HA TRP 5 HA TRP 5 6.966 4.568 -11.848
44 HB2 TRP 5 HB2 TRP 5 6.122 6.745 -12.142
45 HB3 TRP 5 HB3 TRP 5 7.586 7.298 -12.952
46 HD1 TRP 5 HD1 TRP 5 5.244 4.318 -13.817
47 HE1 TRP 5 HE1 TRP 5 4.535 4.565 -16.279
48 HE3 TRP 5 HE3 TRP 5 7.577 8.737 -14.894
49 HZ2 TRP 5 HZ2 TRP 5 4.916 6.391 -18.398
50 HZ3 TRP 5 HZ3 TRP 5 7.355 9.666 -17.162
51 HH2 TRP 5 HH2 TRP 5 6.052 8.515 -18.876
52 H SER 6 H SER 6 9.217 6.329 -13.972
53 HA SER 6 HA SER 6 9.425 4.030 -15.706
54 HB2 SER 6 HB2 SER 6 10.982 5.556 -17.006
55 HB3 SER 6 HB3 SER 6 9.332 6.146 -16.807
56 HG SER 6 HG SER 6 10.375 7.862 -16.128
57 H DAB 7 H DAB 7 10.283 2.957 -13.588
58 HA DAB 7 HA DAB 7 12.997 2.105 -14.160
59 HB2 DAB 7 HB2 DAB 7 12.695 3.837 -11.610
60 HB3 DAB 7 HB3 DAB 7 13.548 4.304 -13.106
61 HG2 DAB 7 HG2 DAB 7 15.119 2.276 -12.724
62 HG3 DAB 7 HG3 DAB 7 14.437 2.153 -11.063
63 HD1 DAB 7 HZ3 DAB 7 16.391 3.994 -12.154
64 HD2 DAB 7 HZ2 DAB 7 15.091 4.847 -11.505
65 HZ1 DAB 7 HZ1 DAB 7 15.922 3.762 -10.503
66 H 4FO 8 H 4FO 8 10.378 1.017 -13.764
67 HA 4FO 8 HA 4FO 8 10.963 -1.158 -11.796
68 HB2 4FO 8 HB2 4FO 8 8.566 -1.902 -12.517
69 HB3 4FO 8 HB3 4FO 8 8.612 -0.539 -13.668
70 HG3 4FO 8 HG3 4FO 8 10.788 -2.733 -13.807
71 HG2 4FO 8 HG2 4FO 8 10.269 -1.537 -15.047
72 HZ3 4FO 8 HZ3 4FO 8 8.935 -3.094 -15.866
73 HZ2 4FO 8 HZ1 4FO 8 9.143 -4.144 -14.505
74 HZ1 4FO 8 HZ2 4FO 8 7.972 -2.918 -14.494
75 H PHE 9 H PHE 9 8.989 -1.817 -10.395
76 HA PHE 9 HA PHE 9 7.879 0.562 -9.077
77 HB2 PHE 9 HB2 PHE 9 7.024 -2.296 -8.628
78 HB3 PHE 9 HB3 PHE 9 6.154 -0.827 -8.199
79 HD1 PHE 9 HD2 PHE 9 6.342 0.730 -10.674
80 HD2 PHE 9 HD1 PHE 9 5.630 -3.425 -10.088
81 HE1 PHE 9 HE2 PHE 9 5.133 0.639 -12.815
82 HE2 PHE 9 HE1 PHE 9 4.421 -3.523 -12.229
83 HZ PHE 9 HZ PHE 9 4.170 -1.489 -13.595
84 H GLU 10 H GLU 10 8.379 1.062 -7.015
85 HA GLU 10 HA GLU 10 10.203 -0.766 -5.596
86 HB2 GLU 10 HB2 GLU 10 11.336 1.101 -4.667
87 HB3 GLU 10 HB3 GLU 10 11.163 1.436 -6.384
88 HG2 GLU 10 HG2 GLU 10 9.282 2.904 -5.928
89 HG3 GLU 10 HG3 GLU 10 9.402 2.542 -4.207
90 H VAL 11 H VAL 11 7.291 1.079 -5.456
91 HA VAL 11 HA VAL 11 6.864 1.418 -2.753
92 HB VAL 11 HB VAL 11 4.404 1.095 -3.292
93 HG11 VAL 11 HG11 VAL 11 4.618 3.292 -3.546
94 HG12 VAL 11 HG12 VAL 11 6.261 3.113 -4.167
95 HG13 VAL 11 HG13 VAL 11 4.885 3.015 -5.267
96 HG21 VAL 11 HG21 VAL 11 5.341 0.936 -6.144
97 HG22 VAL 11 HG22 VAL 11 4.935 -0.500 -5.203
98 HG23 VAL 11 HG23 VAL 11 3.708 0.729 -5.512
99 H20 28J 12 H 28J 12 6.761 -1.473 -4.686
100 H21 28J 12 HA 28J 12 6.892 -3.374 -2.505
101 H22 28J 12 HB 28J 12 7.579 -3.945 -4.801
102 H23 28J 12 HG21 28J 12 6.322 -6.202 -4.978
103 H24 28J 12 HG22 28J 12 7.014 -5.861 -3.373
104 H25 28J 12 HG23 28J 12 5.252 -5.641 -3.648
105 H26 28J 12 HG12 28J 12 5.721 -2.551 -5.918
106 H27 28J 12 HG13 28J 12 6.113 -4.133 -6.667
107 H28 28J 12 HD13 28J 12 3.947 -4.543 -4.701
108 H29 28J 12 HD11 28J 12 3.521 -3.198 -5.803
109 H30 28J 12 HD12 28J 12 3.941 -4.808 -6.486
110 H ALA 13 H ALA 13 4.195 -1.664 -3.823
111 HA ALA 13 HA ALA 13 2.019 -1.541 -3.168
112 HB1 ALA 13 HB1 ALA 13 2.042 -3.808 -4.239
113 HB2 ALA 13 HB2 ALA 13 2.228 -4.495 -2.625
114 HB3 ALA 13 HB3 ALA 13 0.782 -3.569 -3.028
Start of MODEL 20
1 H1 4N3 1 H DVA 1 3.615 2.289 -0.890
2 HA 4N3 1 HA DVA 1 5.488 3.409 1.061
3 HB 4N3 1 HB DVA 1 4.088 5.424 1.350
4 HG13 4N3 1 HG13 DVA 1 4.033 3.299 2.840
5 HG11 4N3 1 HG11 DVA 1 2.413 3.088 2.175
6 HG12 4N3 1 HG12 DVA 1 2.813 4.553 3.074
7 HG22 4N3 1 HG22 DVA 1 2.618 4.301 -0.776
8 HG23 4N3 1 HG23 DVA 1 2.304 5.810 0.082
9 HG21 4N3 1 HG21 DVA 1 1.554 4.311 0.630
10 HD2 4N3 1 HD2 DVA 1 3.188 0.147 -0.849
11 HD1 4N3 1 HD1 DVA 1 4.238 -0.868 0.166
12 HE1 4N3 1 HE1 DVA 1 2.111 -1.408 1.015
13 HE2 4N3 1 HE2 DVA 1 2.602 -0.095 2.111
14 HF2 4N3 1 HF2 DVA 1 1.443 1.495 0.392
15 HF1 4N3 1 HF1 DVA 1 0.396 0.513 1.446
16 HH1 4N3 1 HH1 DVA 1 0.626 -1.251 -0.557
17 HH2 4N3 1 HH2 DVA 1 0.967 0.217 -1.503
18 HI1 4N3 1 HI1 DVA 1 -1.559 -0.566 -0.030
19 HI2 4N3 1 HI2 DVA 1 -1.179 1.160 -0.251
20 HJ1 4N3 1 HJ1 DVA 1 -0.729 0.402 -2.770
21 HJ2 4N3 1 HJ2 DVA 1 -2.387 0.731 -2.211
22 HK3 4N3 1 HK3 DVA 1 -2.933 -1.384 -2.826
23 HK2 4N3 1 HK2 DVA 1 -1.883 -1.973 -1.516
24 HK1 4N3 1 HK1 DVA 1 -1.230 -1.780 -3.161
25 H 4FO 2 H 4FO 2 6.203 2.723 -1.424
26 HA 4FO 2 HA 4FO 2 7.436 3.553 -3.267
27 HB2 4FO 2 HB2 4FO 2 6.922 6.386 -2.169
28 HB3 4FO 2 HB3 4FO 2 8.022 5.246 -1.349
29 HG3 4FO 2 HG3 4FO 2 8.412 6.378 -4.215
30 HG2 4FO 2 HG2 4FO 2 9.414 5.084 -3.467
31 HZ3 4FO 2 HZ3 4FO 2 9.536 6.966 -1.531
32 HZ2 4FO 2 HZ1 4FO 2 10.669 6.838 -2.834
33 HZ1 4FO 2 HZ2 4FO 2 9.383 7.941 -2.897
34 H GLY 3 H GLY 3 7.096 4.281 -5.335
35 HA2 GLY 3 HA2 GLY 3 4.886 4.078 -6.673
36 HA3 GLY 3 HA3 GLY 3 4.533 5.611 -5.889
37 H SER 4 H SER 4 7.389 4.220 -7.512
38 HA SER 4 HA SER 4 7.958 6.770 -8.750
39 HB2 SER 4 HB2 SER 4 9.950 5.650 -9.645
40 HB3 SER 4 HB3 SER 4 9.792 5.351 -7.914
41 HG SER 4 HG SER 4 8.992 3.303 -8.377
42 H TRP 5 H TRP 5 8.441 6.873 -11.109
43 HA TRP 5 HA TRP 5 6.220 5.702 -12.577
44 HB2 TRP 5 HB2 TRP 5 6.449 8.006 -13.008
45 HB3 TRP 5 HB3 TRP 5 8.199 7.890 -13.169
46 HD1 TRP 5 HD1 TRP 5 5.395 5.970 -15.056
47 HE1 TRP 5 HE1 TRP 5 5.809 6.256 -17.580
48 HE3 TRP 5 HE3 TRP 5 9.474 9.046 -14.865
49 HZ2 TRP 5 HZ2 TRP 5 7.625 7.606 -19.267
50 HZ3 TRP 5 HZ3 TRP 5 10.490 9.789 -16.979
51 HH2 TRP 5 HH2 TRP 5 9.584 9.083 -19.134
52 H SER 6 H SER 6 9.587 6.302 -13.565
53 HA SER 6 HA SER 6 9.592 4.127 -15.390
54 HB2 SER 6 HB2 SER 6 11.813 4.740 -15.893
55 HB3 SER 6 HB3 SER 6 11.036 6.257 -15.444
56 HG SER 6 HG SER 6 13.161 5.751 -14.462
57 H DAB 7 H DAB 7 10.987 2.286 -15.373
58 HA DAB 7 HA DAB 7 11.975 0.331 -14.476
59 HB2 DAB 7 HB2 DAB 7 13.355 0.527 -12.490
60 HB3 DAB 7 HB3 DAB 7 12.399 1.910 -11.892
61 HG2 DAB 7 HG2 DAB 7 13.329 3.377 -13.703
62 HG3 DAB 7 HG3 DAB 7 14.367 2.032 -14.296
63 HD1 DAB 7 HZ3 DAB 7 15.513 3.622 -12.759
64 HD2 DAB 7 HZ2 DAB 7 14.403 3.256 -11.545
65 HZ1 DAB 7 HZ1 DAB 7 15.464 2.038 -12.061
66 H 4FO 8 H 4FO 8 9.092 1.228 -13.915
67 HA 4FO 8 HA 4FO 8 8.291 -1.057 -12.178
68 HB2 4FO 8 HB2 4FO 8 5.999 -0.383 -12.647
69 HB3 4FO 8 HB3 4FO 8 6.523 1.253 -13.128
70 HG3 4FO 8 HG3 4FO 8 5.791 -0.617 -14.981
71 HG2 4FO 8 HG2 4FO 8 7.527 -1.065 -14.822
72 HZ3 4FO 8 HZ3 4FO 8 6.625 0.897 -16.460
73 HZ2 4FO 8 HZ1 4FO 8 7.188 1.804 -15.097
74 HZ1 4FO 8 HZ2 4FO 8 8.201 0.705 -15.896
75 H PHE 9 H PHE 9 6.844 -0.740 -10.326
76 HA PHE 9 HA PHE 9 7.197 1.745 -8.855
77 HB2 PHE 9 HB2 PHE 9 5.724 -0.724 -7.937
78 HB3 PHE 9 HB3 PHE 9 5.541 0.924 -7.344
79 HD1 PHE 9 HD2 PHE 9 5.315 2.470 -9.800
80 HD2 PHE 9 HD1 PHE 9 3.676 -1.331 -8.807
81 HE1 PHE 9 HE2 PHE 9 3.487 2.843 -11.403
82 HE2 PHE 9 HE1 PHE 9 1.846 -0.964 -10.410
83 HZ PHE 9 HZ PHE 9 1.749 1.125 -11.710
84 H GLU 10 H GLU 10 8.214 1.919 -6.860
85 HA GLU 10 HA GLU 10 9.995 -0.327 -6.174
86 HB2 GLU 10 HB2 GLU 10 10.440 2.646 -6.106
87 HB3 GLU 10 HB3 GLU 10 11.418 1.557 -5.131
88 HG2 GLU 10 HG2 GLU 10 12.451 0.625 -6.956
89 HG3 GLU 10 HG3 GLU 10 11.128 1.032 -8.048
90 H VAL 11 H VAL 11 7.261 0.244 -5.202
91 HA VAL 11 HA VAL 11 7.368 1.301 -2.579
92 HB VAL 11 HB VAL 11 5.180 0.105 -2.262
93 HG11 VAL 11 HG11 VAL 11 5.842 2.222 -4.111
94 HG12 VAL 11 HG12 VAL 11 4.370 1.381 -4.599
95 HG13 VAL 11 HG13 VAL 11 4.488 2.091 -2.989
96 HG21 VAL 11 HG21 VAL 11 4.904 -0.502 -5.101
97 HG22 VAL 11 HG22 VAL 11 6.087 -1.522 -4.282
98 HG23 VAL 11 HG23 VAL 11 4.428 -1.446 -3.689
99 H20 28J 12 H 28J 12 8.118 -1.771 -3.963
100 H21 28J 12 HA 28J 12 9.407 -2.916 -1.637
101 H22 28J 12 HB 28J 12 9.879 -3.692 -3.927
102 H23 28J 12 HG21 28J 12 9.672 -6.241 -3.467
103 H24 28J 12 HG22 28J 12 10.443 -5.297 -2.167
104 H25 28J 12 HG23 28J 12 8.734 -5.825 -1.991
105 H26 28J 12 HG12 28J 12 7.444 -3.419 -4.732
106 H27 28J 12 HG13 28J 12 8.345 -4.851 -5.329
107 H28 28J 12 HD13 28J 12 5.775 -4.857 -4.020
108 H29 28J 12 HD11 28J 12 6.764 -6.267 -4.508
109 H30 28J 12 HD12 28J 12 6.932 -5.595 -2.849
110 H ALA 13 H ALA 13 6.060 -2.737 -2.477
111 HA ALA 13 HA ALA 13 4.180 -3.335 -1.342
112 HB1 ALA 13 HB1 ALA 13 5.741 -5.727 -0.390
113 HB2 ALA 13 HB2 ALA 13 3.993 -5.579 -0.578
114 HB3 ALA 13 HB3 ALA 13 5.035 -5.602 -2.001