Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
551814 | 2lne RC | 18162 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 1H GLU 1 -4.173 -10.700 2.699
2 H2 GLU 1 2H GLU 1 -3.517 -11.211 4.181
3 H3 GLU 1 3H GLU 1 -3.773 -9.557 3.886
4 HA GLU 1 HA GLU 1 -6.188 -10.983 3.527
5 HB2 GLU 1 1HB GLU 1 -5.120 -12.571 5.114
6 HB3 GLU 1 2HB GLU 1 -4.862 -11.242 6.244
7 HG2 GLU 1 1HG GLU 1 -7.277 -10.853 6.380
8 HG3 GLU 1 2HG GLU 1 -7.565 -12.128 5.198
9 H LEU 2 H LEU 2 -4.937 -9.461 6.473
10 HA LEU 2 HA LEU 2 -6.952 -7.409 6.360
11 HB2 LEU 2 1HB LEU 2 -4.579 -7.804 8.199
12 HB3 LEU 2 2HB LEU 2 -5.819 -6.571 8.421
13 HG LEU 2 HG LEU 2 -6.399 -9.544 8.258
14 HD11 LEU 2 1HD1 LEU 2 -4.995 -8.895 10.237
15 HD12 LEU 2 2HD1 LEU 2 -6.583 -9.526 10.674
16 HD13 LEU 2 3HD1 LEU 2 -6.280 -7.789 10.728
17 HD21 LEU 2 3HD2 LEU 2 -8.056 -7.072 8.754
18 HD22 LEU 2 1HD2 LEU 2 -8.526 -8.588 9.521
19 HD23 LEU 2 2HD2 LEU 2 -8.429 -8.484 7.766
20 H TYR 3 H TYR 3 -6.676 -5.215 5.987
21 HA TYR 3 HA TYR 3 -4.570 -4.523 4.155
22 HB2 TYR 3 1HB TYR 3 -6.718 -2.829 5.453
23 HB3 TYR 3 2HB TYR 3 -5.651 -2.293 4.156
24 HD1 TYR 3 HD2 TYR 3 -5.760 -3.373 1.908
25 HD2 TYR 3 HD1 TYR 3 -8.567 -4.303 5.024
26 HE1 TYR 3 HE2 TYR 3 -7.278 -4.400 0.236
27 HE2 TYR 3 HE1 TYR 3 -10.083 -5.329 3.354
28 HH TYR 3 HH TYR 3 -9.992 -6.301 1.143
29 H GLU 4 H GLU 4 -2.599 -3.906 4.718
30 HA GLU 4 HA GLU 4 -2.075 -2.906 7.430
31 HB2 GLU 4 1HB GLU 4 0.272 -3.295 6.904
32 HB3 GLU 4 2HB GLU 4 -0.671 -4.734 6.519
33 HG2 GLU 4 1HG GLU 4 -0.772 -3.974 4.137
34 HG3 GLU 4 2HG GLU 4 0.295 -2.634 4.556
35 H ASN 5 H ASN 5 -0.572 -1.064 7.676
36 HA ASN 5 HA ASN 5 -1.507 1.208 6.259
37 HB2 ASN 5 1HB ASN 5 0.229 2.436 7.501
38 HB3 ASN 5 2HB ASN 5 -0.679 1.362 8.561
39 HD21 ASN 5 2HD2 ASN 5 0.531 -0.124 9.772
40 HD22 ASN 5 1HD2 ASN 5 2.171 -0.469 9.502
41 H LYS 6 H LYS 6 -0.953 1.902 4.306
42 HA LYS 6 HA LYS 6 1.252 0.721 2.879
43 HB2 LYS 6 1HB LYS 6 -0.756 2.860 2.180
44 HB3 LYS 6 2HB LYS 6 0.520 2.356 1.071
45 HG2 LYS 6 1HG LYS 6 -0.308 -0.000 1.269
46 HG3 LYS 6 2HG LYS 6 -1.644 0.587 2.258
47 HD2 LYS 6 1HD LYS 6 -1.058 1.507 -0.574
48 HD3 LYS 6 2HD LYS 6 -2.279 0.314 -0.139
49 HE2 LYS 6 1HE LYS 6 -3.164 2.184 1.475
50 HE3 LYS 6 2HE LYS 6 -2.242 3.268 0.433
51 HZ1 LYS 6 3HZ LYS 6 -4.548 1.569 -0.239
52 HZ2 LYS 6 1HZ LYS 6 -3.446 2.014 -1.449
53 HZ3 LYS 6 2HZ LYS 6 -4.286 3.211 -0.585
54 HA PRO 7 HA PRO 7 4.039 4.130 3.740
55 HB2 PRO 7 1HB PRO 7 6.015 3.639 2.029
56 HB3 PRO 7 2HB PRO 7 5.589 2.396 3.224
57 HG2 PRO 7 1HG PRO 7 4.775 2.582 0.346
58 HG3 PRO 7 2HG PRO 7 5.429 1.187 1.232
59 HD2 PRO 7 1HD PRO 7 2.716 1.596 0.817
60 HD3 PRO 7 2HD PRO 7 3.384 0.668 2.184
61 H ARG 8 H ARG 8 5.251 4.296 0.606
62 HA ARG 8 HA ARG 8 3.800 6.758 0.042
63 HB2 ARG 8 1HB ARG 8 5.369 6.857 -1.941
64 HB3 ARG 8 2HB ARG 8 6.175 6.855 -0.376
65 HG2 ARG 8 1HG ARG 8 6.603 4.444 -0.569
66 HG3 ARG 8 2HG ARG 8 5.762 4.402 -2.118
67 HD2 ARG 8 1HD ARG 8 8.144 4.535 -2.548
68 HD3 ARG 8 2HD ARG 8 7.406 6.069 -2.998
69 HE ARG 8 HE ARG 8 8.508 7.096 -1.200
70 HH11 ARG 8 1HH2 ARG 8 8.833 3.650 -1.135
71 HH12 ARG 8 2HH2 ARG 8 10.067 3.650 0.078
72 HH21 ARG 8 1HH1 ARG 8 10.128 7.102 0.393
73 HH22 ARG 8 2HH1 ARG 8 10.800 5.605 0.943
74 H ARG 9 H ARG 9 4.472 5.694 -2.915
75 HA ARG 9 HA ARG 9 1.764 4.673 -3.356
76 HB2 ARG 9 1HB ARG 9 3.979 5.290 -5.331
77 HB3 ARG 9 2HB ARG 9 2.303 4.918 -5.732
78 HG2 ARG 9 1HG ARG 9 1.510 6.934 -4.735
79 HG3 ARG 9 2HG ARG 9 3.057 7.233 -3.940
80 HD2 ARG 9 1HD ARG 9 4.138 7.702 -6.028
81 HD3 ARG 9 2HD ARG 9 2.751 7.120 -6.947
82 HE ARG 9 HE ARG 9 2.001 9.283 -5.243
83 HH11 ARG 9 1HH2 ARG 9 3.679 8.474 -8.158
84 HH12 ARG 9 2HH2 ARG 9 3.389 10.005 -8.914
85 HH21 ARG 9 1HH1 ARG 9 1.616 11.294 -6.228
86 HH22 ARG 9 2HH1 ARG 9 2.220 11.601 -7.821
87 HA PRO 10 HA PRO 10 3.689 0.587 -2.724
88 HB2 PRO 10 1HB PRO 10 1.186 -0.304 -4.133
89 HB3 PRO 10 2HB PRO 10 1.924 -0.928 -2.643
90 HG2 PRO 10 1HG PRO 10 -0.235 0.645 -2.583
91 HG3 PRO 10 2HG PRO 10 1.026 0.742 -1.338
92 HD2 PRO 10 1HD PRO 10 0.433 2.644 -3.568
93 HD3 PRO 10 2HD PRO 10 1.142 2.954 -1.968
94 H TYR 11 H TYR 11 1.749 0.810 -5.722
95 HA TYR 11 HA TYR 11 4.085 0.651 -7.415
96 HB2 TYR 11 1HB TYR 11 2.158 -1.679 -7.239
97 HB3 TYR 11 2HB TYR 11 3.334 -1.457 -8.537
98 HD1 TYR 11 HD2 TYR 11 5.745 -1.626 -8.101
99 HD2 TYR 11 HD1 TYR 11 2.860 -2.276 -4.987
100 HE1 TYR 11 HE2 TYR 11 7.504 -2.657 -6.688
101 HE2 TYR 11 HE1 TYR 11 4.617 -3.307 -3.573
102 HH TYR 11 HH TYR 11 7.388 -4.468 -4.643
103 H ILE 12 H ILE 12 1.189 1.841 -6.742
104 HA ILE 12 HA ILE 12 -0.261 1.671 -9.174
105 HB ILE 12 HB ILE 12 -1.501 3.634 -8.295
106 HG12 ILE 12 1HG1 ILE 12 0.465 3.492 -5.990
107 HG13 ILE 12 2HG1 ILE 12 0.515 4.728 -7.249
108 HG21 ILE 12 1HG2 ILE 12 -2.440 2.489 -6.407
109 HG22 ILE 12 2HG2 ILE 12 -0.937 1.617 -6.112
110 HG23 ILE 12 3HG2 ILE 12 -1.906 1.246 -7.537
111 HD11 ILE 12 3HD1 ILE 12 -0.705 5.592 -5.317
112 HD12 ILE 12 1HD1 ILE 12 -1.786 4.197 -5.346
113 HD13 ILE 12 2HD1 ILE 12 -1.822 5.367 -6.665
114 H LEU 13 H LEU 13 -0.817 3.897 -10.313
115 HA LEU 13 HA LEU 13 1.536 5.574 -10.722
116 HB2 LEU 13 1HB LEU 13 1.198 5.112 -13.305
117 HB3 LEU 13 2HB LEU 13 2.202 4.036 -12.333
118 HG LEU 13 HG LEU 13 0.337 2.481 -12.054
119 HD11 LEU 13 1HD1 LEU 13 -1.751 2.968 -13.483
120 HD12 LEU 13 2HD1 LEU 13 -1.180 4.637 -13.534
121 HD13 LEU 13 3HD1 LEU 13 -1.577 3.887 -11.988
122 HD21 LEU 13 3HD2 LEU 13 0.475 3.264 -14.975
123 HD22 LEU 13 1HD2 LEU 13 0.247 1.652 -14.297
124 HD23 LEU 13 2HD2 LEU 13 1.806 2.461 -14.142
Start of MODEL 2
1 H1 GLU 1 1H GLU 1 -7.337 -4.020 10.285
2 H2 GLU 1 2H GLU 1 -7.108 -2.953 8.984
3 H3 GLU 1 3H GLU 1 -5.790 -3.814 9.621
4 HA GLU 1 HA GLU 1 -7.989 -5.462 8.718
5 HB2 GLU 1 1HB GLU 1 -7.983 -3.608 7.047
6 HB3 GLU 1 2HB GLU 1 -6.279 -3.938 6.730
7 HG2 GLU 1 1HG GLU 1 -6.808 -6.194 5.996
8 HG3 GLU 1 2HG GLU 1 -8.504 -5.969 6.410
9 H LEU 2 H LEU 2 -7.191 -7.485 8.211
10 HA LEU 2 HA LEU 2 -4.687 -8.232 9.286
11 HB2 LEU 2 1HB LEU 2 -6.542 -9.689 7.393
12 HB3 LEU 2 2HB LEU 2 -5.120 -10.421 8.127
13 HG LEU 2 HG LEU 2 -7.353 -9.150 9.737
14 HD11 LEU 2 1HD1 LEU 2 -6.918 -12.062 9.013
15 HD12 LEU 2 2HD1 LEU 2 -8.229 -11.042 8.424
16 HD13 LEU 2 3HD1 LEU 2 -8.141 -11.466 10.133
17 HD21 LEU 2 3HD2 LEU 2 -4.902 -10.796 10.389
18 HD22 LEU 2 1HD2 LEU 2 -6.302 -10.838 11.459
19 HD23 LEU 2 2HD2 LEU 2 -5.474 -9.315 11.154
20 H TYR 3 H TYR 3 -5.751 -7.614 5.974
21 HA TYR 3 HA TYR 3 -3.333 -8.434 4.717
22 HB2 TYR 3 1HB TYR 3 -5.503 -6.535 3.797
23 HB3 TYR 3 2HB TYR 3 -4.204 -7.142 2.772
24 HD1 TYR 3 HD2 TYR 3 -7.286 -8.007 4.587
25 HD2 TYR 3 HD1 TYR 3 -4.140 -9.497 2.067
26 HE1 TYR 3 HE2 TYR 3 -8.605 -10.063 4.153
27 HE2 TYR 3 HE1 TYR 3 -5.470 -11.546 1.631
28 HH TYR 3 HH TYR 3 -8.781 -11.834 2.603
29 H GLU 4 H GLU 4 -1.521 -7.260 4.150
30 HA GLU 4 HA GLU 4 -0.838 -5.033 5.764
31 HB2 GLU 4 1HB GLU 4 0.470 -6.113 3.248
32 HB3 GLU 4 2HB GLU 4 1.158 -4.842 4.259
33 HG2 GLU 4 1HG GLU 4 2.194 -6.775 5.100
34 HG3 GLU 4 2HG GLU 4 0.854 -6.546 6.217
35 H ASN 5 H ASN 5 -1.089 -2.911 5.477
36 HA ASN 5 HA ASN 5 -2.681 -1.970 3.245
37 HB2 ASN 5 1HB ASN 5 -2.673 0.163 4.415
38 HB3 ASN 5 2HB ASN 5 -3.036 -1.131 5.555
39 HD21 ASN 5 2HD2 ASN 5 -2.081 1.172 6.682
40 HD22 ASN 5 1HD2 ASN 5 -0.464 0.993 7.164
41 H LYS 6 H LYS 6 -2.034 -0.066 1.983
42 HA LYS 6 HA LYS 6 0.465 -0.431 0.712
43 HB2 LYS 6 1HB LYS 6 -1.581 1.783 0.650
44 HB3 LYS 6 2HB LYS 6 -0.093 1.880 -0.296
45 HG2 LYS 6 1HG LYS 6 -0.659 -0.189 -1.463
46 HG3 LYS 6 2HG LYS 6 -2.083 -0.411 -0.448
47 HD2 LYS 6 1HD LYS 6 -3.181 1.478 -1.383
48 HD3 LYS 6 2HD LYS 6 -1.695 2.073 -2.126
49 HE2 LYS 6 1HE LYS 6 -3.116 1.036 -3.828
50 HE3 LYS 6 2HE LYS 6 -1.657 0.074 -3.600
51 HZ1 LYS 6 3HZ LYS 6 -3.865 -1.149 -3.666
52 HZ2 LYS 6 1HZ LYS 6 -4.150 -0.508 -2.123
53 HZ3 LYS 6 2HZ LYS 6 -2.815 -1.525 -2.383
54 HA PRO 7 HA PRO 7 2.878 2.250 3.362
55 HB2 PRO 7 1HB PRO 7 5.122 2.499 1.978
56 HB3 PRO 7 2HB PRO 7 4.560 0.867 2.399
57 HG2 PRO 7 1HG PRO 7 4.187 2.363 -0.173
58 HG3 PRO 7 2HG PRO 7 4.804 0.712 0.076
59 HD2 PRO 7 1HD PRO 7 2.158 1.264 -0.536
60 HD3 PRO 7 2HD PRO 7 2.677 -0.175 0.379
61 H ARG 8 H ARG 8 4.628 3.816 1.011
62 HA ARG 8 HA ARG 8 3.041 6.247 1.274
63 HB2 ARG 8 1HB ARG 8 5.521 6.303 1.555
64 HB3 ARG 8 2HB ARG 8 5.696 5.805 -0.123
65 HG2 ARG 8 1HG ARG 8 4.482 7.836 -0.845
66 HG3 ARG 8 2HG ARG 8 4.324 8.334 0.838
67 HD2 ARG 8 1HD ARG 8 6.221 9.485 -0.159
68 HD3 ARG 8 2HD ARG 8 6.810 8.329 1.032
69 HE ARG 8 HE ARG 8 6.722 7.125 -1.544
70 HH11 ARG 8 1HH2 ARG 8 8.439 9.447 0.370
71 HH12 ARG 8 2HH2 ARG 8 9.939 9.228 -0.467
72 HH21 ARG 8 1HH1 ARG 8 8.691 6.845 -2.648
73 HH22 ARG 8 2HH1 ARG 8 10.076 7.776 -2.184
74 H ARG 9 H ARG 9 4.822 5.889 -1.622
75 HA ARG 9 HA ARG 9 2.341 5.787 -3.205
76 HB2 ARG 9 1HB ARG 9 5.165 6.663 -3.800
77 HB3 ARG 9 2HB ARG 9 4.031 6.306 -5.099
78 HG2 ARG 9 1HG ARG 9 2.426 7.953 -3.974
79 HG3 ARG 9 2HG ARG 9 3.786 8.438 -2.967
80 HD2 ARG 9 1HD ARG 9 5.033 8.689 -5.287
81 HD3 ARG 9 2HD ARG 9 3.392 8.804 -5.919
82 HE ARG 9 HE ARG 9 3.167 10.874 -4.865
83 HH11 ARG 9 1HH2 ARG 9 6.056 9.241 -3.846
84 HH12 ARG 9 2HH2 ARG 9 6.699 10.626 -3.030
85 HH21 ARG 9 1HH1 ARG 9 4.024 12.678 -3.810
86 HH22 ARG 9 2HH1 ARG 9 5.556 12.567 -3.011
87 HA PRO 10 HA PRO 10 3.704 1.433 -3.564
88 HB2 PRO 10 1HB PRO 10 1.344 1.124 -5.355
89 HB3 PRO 10 2HB PRO 10 1.768 0.225 -3.888
90 HG2 PRO 10 1HG PRO 10 -0.235 2.036 -3.962
91 HG3 PRO 10 2HG PRO 10 0.729 1.728 -2.505
92 HD2 PRO 10 1HD PRO 10 0.866 4.043 -4.405
93 HD3 PRO 10 2HD PRO 10 1.143 3.992 -2.650
94 H TYR 11 H TYR 11 4.344 3.800 -5.475
95 HA TYR 11 HA TYR 11 5.386 4.117 -7.484
96 HB2 TYR 11 1HB TYR 11 6.801 2.254 -6.580
97 HB3 TYR 11 2HB TYR 11 5.774 1.113 -7.452
98 HD1 TYR 11 HD1 TYR 11 7.958 4.108 -7.907
99 HD2 TYR 11 HD2 TYR 11 6.120 0.696 -9.766
100 HE1 TYR 11 HE1 TYR 11 9.254 4.535 -9.979
101 HE2 TYR 11 HE2 TYR 11 7.422 1.124 -11.834
102 HH TYR 11 HH TYR 11 9.309 2.254 -12.616
103 H ILE 12 H ILE 12 2.511 3.557 -7.334
104 HA ILE 12 HA ILE 12 2.076 2.780 -10.154
105 HB ILE 12 HB ILE 12 1.463 0.928 -8.514
106 HG12 ILE 12 1HG1 ILE 12 -0.770 0.534 -9.606
107 HG13 ILE 12 2HG1 ILE 12 -0.693 2.168 -10.261
108 HG21 ILE 12 1HG2 ILE 12 -0.941 2.633 -7.868
109 HG22 ILE 12 2HG2 ILE 12 0.508 2.704 -6.867
110 HG23 ILE 12 3HG2 ILE 12 -0.361 1.181 -7.050
111 HD11 ILE 12 3HD1 ILE 12 0.168 0.035 -11.643
112 HD12 ILE 12 1HD1 ILE 12 1.659 0.383 -10.769
113 HD13 ILE 12 2HD1 ILE 12 0.931 1.612 -11.805
114 H LEU 13 H LEU 13 0.597 3.999 -11.250
115 HA LEU 13 HA LEU 13 -1.287 5.715 -9.930
116 HB2 LEU 13 1HB LEU 13 -0.141 7.807 -11.071
117 HB3 LEU 13 2HB LEU 13 0.389 7.266 -9.482
118 HG LEU 13 HG LEU 13 2.243 6.022 -10.482
119 HD11 LEU 13 1HD1 LEU 13 1.355 5.274 -12.565
120 HD12 LEU 13 2HD1 LEU 13 2.637 6.407 -12.990
121 HD13 LEU 13 3HD1 LEU 13 0.950 6.917 -13.065
122 HD21 LEU 13 3HD2 LEU 13 3.451 7.987 -11.535
123 HD22 LEU 13 1HD2 LEU 13 2.716 8.337 -9.970
124 HD23 LEU 13 2HD2 LEU 13 1.932 8.876 -11.455
Start of MODEL 3
1 H1 GLU 1 1H GLU 1 -4.849 -12.379 7.108
2 H2 GLU 1 2H GLU 1 -6.087 -12.615 8.245
3 H3 GLU 1 3H GLU 1 -4.559 -13.311 8.497
4 HA GLU 1 HA GLU 1 -4.984 -11.313 9.870
5 HB2 GLU 1 1HB GLU 1 -2.804 -10.214 9.265
6 HB3 GLU 1 2HB GLU 1 -2.697 -11.962 9.453
7 HG2 GLU 1 1HG GLU 1 -3.149 -10.651 6.764
8 HG3 GLU 1 2HG GLU 1 -1.536 -10.975 7.394
9 H LEU 2 H LEU 2 -5.008 -8.963 9.857
10 HA LEU 2 HA LEU 2 -6.830 -7.916 7.919
11 HB2 LEU 2 1HB LEU 2 -5.190 -6.448 9.995
12 HB3 LEU 2 2HB LEU 2 -6.614 -5.826 9.163
13 HG LEU 2 HG LEU 2 -6.574 -8.251 10.989
14 HD11 LEU 2 1HD1 LEU 2 -7.689 -6.843 12.605
15 HD12 LEU 2 2HD1 LEU 2 -7.812 -5.523 11.441
16 HD13 LEU 2 3HD1 LEU 2 -6.236 -5.993 12.077
17 HD21 LEU 2 3HD2 LEU 2 -8.720 -6.892 9.350
18 HD22 LEU 2 1HD2 LEU 2 -9.141 -7.767 10.822
19 HD23 LEU 2 2HD2 LEU 2 -8.368 -8.616 9.487
20 H TYR 3 H TYR 3 -6.501 -6.377 6.335
21 HA TYR 3 HA TYR 3 -3.899 -6.405 5.088
22 HB2 TYR 3 1HB TYR 3 -4.987 -5.134 3.308
23 HB3 TYR 3 2HB TYR 3 -5.996 -6.503 3.778
24 HD1 TYR 3 HD1 TYR 3 -8.044 -6.178 5.086
25 HD2 TYR 3 HD2 TYR 3 -5.642 -2.846 3.838
26 HE1 TYR 3 HE1 TYR 3 -9.910 -4.639 5.618
27 HE2 TYR 3 HE2 TYR 3 -7.510 -1.302 4.359
28 HH TYR 3 HH TYR 3 -9.539 -1.334 5.913
29 H GLU 4 H GLU 4 -2.394 -4.835 5.073
30 HA GLU 4 HA GLU 4 -2.680 -2.617 6.924
31 HB2 GLU 4 1HB GLU 4 -0.305 -2.106 6.130
32 HB3 GLU 4 2HB GLU 4 -0.536 -3.632 6.978
33 HG2 GLU 4 1HG GLU 4 -0.717 -3.492 3.966
34 HG3 GLU 4 2HG GLU 4 0.841 -3.643 4.773
35 H ASN 5 H ASN 5 -2.258 -0.409 6.329
36 HA ASN 5 HA ASN 5 -3.706 0.395 3.988
37 HB2 ASN 5 1HB ASN 5 -3.517 1.621 6.246
38 HB3 ASN 5 2HB ASN 5 -1.953 2.186 5.669
39 HD21 ASN 5 2HD2 ASN 5 -3.495 4.295 5.996
40 HD22 ASN 5 1HD2 ASN 5 -4.245 4.819 4.566
41 H LYS 6 H LYS 6 -2.466 2.427 2.804
42 HA LYS 6 HA LYS 6 -0.759 1.341 0.945
43 HB2 LYS 6 1HB LYS 6 -0.874 4.181 1.971
44 HB3 LYS 6 2HB LYS 6 0.063 3.697 0.556
45 HG2 LYS 6 1HG LYS 6 -1.905 3.047 -0.640
46 HG3 LYS 6 2HG LYS 6 -2.899 3.118 0.816
47 HD2 LYS 6 1HD LYS 6 -2.752 5.501 0.915
48 HD3 LYS 6 2HD LYS 6 -1.480 5.541 -0.308
49 HE2 LYS 6 1HE LYS 6 -4.295 4.540 -0.806
50 HE3 LYS 6 2HE LYS 6 -3.736 6.161 -1.212
51 HZ1 LYS 6 3HZ LYS 6 -3.253 5.169 -3.159
52 HZ2 LYS 6 1HZ LYS 6 -3.131 3.618 -2.484
53 HZ3 LYS 6 2HZ LYS 6 -1.836 4.709 -2.344
54 HA PRO 7 HA PRO 7 3.112 1.241 3.228
55 HB2 PRO 7 1HB PRO 7 4.817 0.543 1.331
56 HB3 PRO 7 2HB PRO 7 3.416 -0.508 1.627
57 HG2 PRO 7 1HG PRO 7 3.759 1.594 -0.482
58 HG3 PRO 7 2HG PRO 7 3.200 -0.085 -0.662
59 HD2 PRO 7 1HD PRO 7 1.479 2.086 -0.404
60 HD3 PRO 7 2HD PRO 7 1.056 0.414 0.043
61 H ARG 8 H ARG 8 5.151 2.122 0.772
62 HA ARG 8 HA ARG 8 5.439 4.830 1.794
63 HB2 ARG 8 1HB ARG 8 7.036 3.122 -0.121
64 HB3 ARG 8 2HB ARG 8 7.394 4.829 0.116
65 HG2 ARG 8 1HG ARG 8 7.173 3.025 2.520
66 HG3 ARG 8 2HG ARG 8 8.651 3.016 1.559
67 HD2 ARG 8 1HD ARG 8 8.794 5.497 1.830
68 HD3 ARG 8 2HD ARG 8 7.392 5.434 2.894
69 HE ARG 8 HE ARG 8 9.574 3.691 3.683
70 HH11 ARG 8 1HH2 ARG 8 8.090 6.806 3.894
71 HH12 ARG 8 2HH2 ARG 8 8.868 7.235 5.380
72 HH21 ARG 8 1HH1 ARG 8 10.581 4.218 5.632
73 HH22 ARG 8 2HH1 ARG 8 10.286 5.753 6.378
74 H ARG 9 H ARG 9 6.435 4.726 -1.342
75 HA ARG 9 HA ARG 9 4.097 6.230 -2.291
76 HB2 ARG 9 1HB ARG 9 6.739 5.866 -3.705
77 HB3 ARG 9 2HB ARG 9 5.542 7.135 -3.946
78 HG2 ARG 9 1HG ARG 9 7.307 6.731 -1.514
79 HG3 ARG 9 2HG ARG 9 7.367 8.070 -2.662
80 HD2 ARG 9 1HD ARG 9 5.258 7.463 -0.597
81 HD3 ARG 9 2HD ARG 9 6.162 8.956 -0.841
82 HE ARG 9 HE ARG 9 4.664 8.471 -3.163
83 HH11 ARG 9 1HH2 ARG 9 4.224 9.178 0.192
84 HH12 ARG 9 2HH2 ARG 9 2.718 10.004 -0.035
85 HH21 ARG 9 1HH1 ARG 9 2.697 9.541 -3.476
86 HH22 ARG 9 2HH1 ARG 9 1.858 10.226 -2.125
87 HA PRO 10 HA PRO 10 3.441 2.160 -4.206
88 HB2 PRO 10 1HB PRO 10 0.841 2.435 -4.943
89 HB3 PRO 10 2HB PRO 10 1.323 2.154 -3.256
90 HG2 PRO 10 1HG PRO 10 0.571 4.713 -4.604
91 HG3 PRO 10 2HG PRO 10 0.111 4.109 -3.001
92 HD2 PRO 10 1HD PRO 10 2.122 5.946 -3.407
93 HD3 PRO 10 2HD PRO 10 2.087 4.836 -2.016
94 H TYR 11 H TYR 11 3.293 1.391 -6.371
95 HA TYR 11 HA TYR 11 4.402 2.929 -8.367
96 HB2 TYR 11 1HB TYR 11 2.495 0.594 -8.656
97 HB3 TYR 11 2HB TYR 11 3.502 1.235 -9.954
98 HD1 TYR 11 HD1 TYR 11 6.024 1.248 -9.662
99 HD2 TYR 11 HD2 TYR 11 3.389 -0.893 -7.028
100 HE1 TYR 11 HE1 TYR 11 7.937 -0.103 -8.845
101 HE2 TYR 11 HE2 TYR 11 5.307 -2.246 -6.213
102 HH TYR 11 HH TYR 11 7.991 -1.768 -6.125
103 H ILE 12 H ILE 12 1.184 1.765 -9.121
104 HA ILE 12 HA ILE 12 -0.492 2.826 -10.323
105 HB ILE 12 HB ILE 12 -0.097 4.882 -8.134
106 HG12 ILE 12 1HG1 ILE 12 -0.208 2.684 -7.108
107 HG13 ILE 12 2HG1 ILE 12 -1.763 3.481 -6.880
108 HG21 ILE 12 1HG2 ILE 12 -2.592 5.102 -8.406
109 HG22 ILE 12 2HG2 ILE 12 -2.475 4.064 -9.827
110 HG23 ILE 12 3HG2 ILE 12 -1.669 5.633 -9.812
111 HD11 ILE 12 3HD1 ILE 12 -1.057 1.215 -8.729
112 HD12 ILE 12 1HD1 ILE 12 -2.440 2.248 -9.092
113 HD13 ILE 12 2HD1 ILE 12 -2.392 1.334 -7.585
114 H LEU 13 H LEU 13 1.143 3.228 -12.075
115 HA LEU 13 HA LEU 13 2.118 5.965 -12.315
116 HB2 LEU 13 1HB LEU 13 2.369 3.453 -13.961
117 HB3 LEU 13 2HB LEU 13 2.776 5.013 -14.673
118 HG LEU 13 HG LEU 13 4.346 5.433 -12.787
119 HD11 LEU 13 1HD1 LEU 13 3.395 4.106 -11.036
120 HD12 LEU 13 2HD1 LEU 13 4.960 3.386 -11.409
121 HD13 LEU 13 3HD1 LEU 13 3.480 2.638 -12.012
122 HD21 LEU 13 3HD2 LEU 13 4.853 2.791 -14.189
123 HD22 LEU 13 1HD2 LEU 13 6.071 3.893 -13.551
124 HD23 LEU 13 2HD2 LEU 13 5.085 4.372 -14.934
Start of MODEL 4
1 H1 GLU 1 1H GLU 1 -6.246 -9.849 7.029
2 H2 GLU 1 2H GLU 1 -5.426 -9.193 8.365
3 H3 GLU 1 3H GLU 1 -5.555 -10.877 8.187
4 HA GLU 1 HA GLU 1 -3.355 -9.717 7.563
5 HB2 GLU 1 1HB GLU 1 -3.108 -11.372 5.651
6 HB3 GLU 1 2HB GLU 1 -3.684 -12.064 7.169
7 HG2 GLU 1 1HG GLU 1 -5.603 -11.110 5.039
8 HG3 GLU 1 2HG GLU 1 -4.936 -12.742 5.024
9 H LEU 2 H LEU 2 -5.838 -8.108 6.623
10 HA LEU 2 HA LEU 2 -5.281 -7.536 3.850
11 HB2 LEU 2 1HB LEU 2 -6.855 -5.447 4.633
12 HB3 LEU 2 2HB LEU 2 -7.497 -7.020 4.171
13 HG LEU 2 HG LEU 2 -6.669 -6.584 7.037
14 HD11 LEU 2 1HD1 LEU 2 -9.015 -5.823 7.510
15 HD12 LEU 2 2HD1 LEU 2 -9.244 -5.611 5.774
16 HD13 LEU 2 3HD1 LEU 2 -8.045 -4.640 6.629
17 HD21 LEU 2 3HD2 LEU 2 -8.203 -8.330 7.475
18 HD22 LEU 2 1HD2 LEU 2 -7.494 -8.808 5.934
19 HD23 LEU 2 2HD2 LEU 2 -9.085 -8.060 5.973
20 H TYR 3 H TYR 3 -3.707 -6.278 3.137
21 HA TYR 3 HA TYR 3 -2.140 -4.665 4.961
22 HB2 TYR 3 1HB TYR 3 -1.952 -5.123 1.976
23 HB3 TYR 3 2HB TYR 3 -0.798 -4.169 2.908
24 HD1 TYR 3 HD1 TYR 3 0.673 -5.232 4.569
25 HD2 TYR 3 HD2 TYR 3 -2.065 -7.544 2.200
26 HE1 TYR 3 HE1 TYR 3 1.856 -7.309 5.226
27 HE2 TYR 3 HE2 TYR 3 -0.883 -9.621 2.859
28 HH TYR 3 HH TYR 3 1.919 -9.917 3.817
29 H GLU 4 H GLU 4 -4.321 -3.451 5.346
30 HA GLU 4 HA GLU 4 -5.195 -1.559 3.417
31 HB2 GLU 4 1HB GLU 4 -6.379 -0.510 5.314
32 HB3 GLU 4 2HB GLU 4 -6.624 -2.256 5.275
33 HG2 GLU 4 1HG GLU 4 -4.822 -2.532 6.954
34 HG3 GLU 4 2HG GLU 4 -4.629 -0.782 7.018
35 H ASN 5 H ASN 5 -2.706 -1.519 5.887
36 HA ASN 5 HA ASN 5 -2.227 1.341 5.603
37 HB2 ASN 5 1HB ASN 5 -0.764 -0.817 7.137
38 HB3 ASN 5 2HB ASN 5 -0.347 0.894 7.176
39 HD21 ASN 5 2HD2 ASN 5 -1.851 -1.306 9.039
40 HD22 ASN 5 1HD2 ASN 5 -3.072 -0.353 9.735
41 H LYS 6 H LYS 6 -1.379 1.899 3.673
42 HA LYS 6 HA LYS 6 0.527 0.244 2.282
43 HB2 LYS 6 1HB LYS 6 0.087 3.139 1.581
44 HB3 LYS 6 2HB LYS 6 0.313 1.755 0.517
45 HG2 LYS 6 1HG LYS 6 -2.171 2.331 2.155
46 HG3 LYS 6 2HG LYS 6 -2.008 2.503 0.408
47 HD2 LYS 6 1HD LYS 6 -1.368 0.031 0.359
48 HD3 LYS 6 2HD LYS 6 -1.923 -0.047 2.032
49 HE2 LYS 6 1HE LYS 6 -3.804 -0.681 0.721
50 HE3 LYS 6 2HE LYS 6 -4.113 0.985 1.202
51 HZ1 LYS 6 3HZ LYS 6 -3.509 -0.109 -1.423
52 HZ2 LYS 6 1HZ LYS 6 -2.785 1.381 -1.059
53 HZ3 LYS 6 2HZ LYS 6 -4.475 1.219 -0.992
54 HA PRO 7 HA PRO 7 4.065 2.401 4.002
55 HB2 PRO 7 1HB PRO 7 6.020 1.735 2.342
56 HB3 PRO 7 2HB PRO 7 5.077 0.437 3.109
57 HG2 PRO 7 1HG PRO 7 4.856 1.544 0.337
58 HG3 PRO 7 2HG PRO 7 4.789 -0.145 0.880
59 HD2 PRO 7 1HD PRO 7 2.555 1.510 0.376
60 HD3 PRO 7 2HD PRO 7 2.522 -0.022 1.284
61 H ARG 8 H ARG 8 5.667 2.917 1.078
62 HA ARG 8 HA ARG 8 5.115 5.774 1.156
63 HB2 ARG 8 1HB ARG 8 6.941 6.001 -0.408
64 HB3 ARG 8 2HB ARG 8 7.459 4.867 0.837
65 HG2 ARG 8 1HG ARG 8 6.762 2.981 -0.669
66 HG3 ARG 8 2HG ARG 8 6.432 4.170 -1.933
67 HD2 ARG 8 1HD ARG 8 8.662 3.305 -2.286
68 HD3 ARG 8 2HD ARG 8 8.795 4.968 -1.723
69 HE ARG 8 HE ARG 8 8.898 3.220 0.501
70 HH11 ARG 8 1HH2 ARG 8 10.692 4.183 -2.296
71 HH12 ARG 8 2HH2 ARG 8 12.239 3.896 -1.572
72 HH21 ARG 8 1HH1 ARG 8 10.922 2.839 1.459
73 HH22 ARG 8 2HH1 ARG 8 12.370 3.144 0.557
74 H ARG 9 H ARG 9 5.375 6.304 -1.617
75 HA ARG 9 HA ARG 9 2.711 5.976 -2.489
76 HB2 ARG 9 1HB ARG 9 4.315 7.721 -3.300
77 HB3 ARG 9 2HB ARG 9 5.163 6.457 -4.188
78 HG2 ARG 9 1HG ARG 9 2.919 5.929 -5.304
79 HG3 ARG 9 2HG ARG 9 2.337 7.446 -4.615
80 HD2 ARG 9 1HD ARG 9 4.347 8.566 -5.691
81 HD3 ARG 9 2HD ARG 9 4.625 7.058 -6.554
82 HE ARG 9 HE ARG 9 2.532 8.992 -7.081
83 HH11 ARG 9 1HH2 ARG 9 3.602 5.714 -7.349
84 HH12 ARG 9 2HH2 ARG 9 2.597 5.349 -8.711
85 HH21 ARG 9 1HH1 ARG 9 1.206 8.524 -8.868
86 HH22 ARG 9 2HH1 ARG 9 1.245 6.944 -9.576
87 HA PRO 10 HA PRO 10 3.469 1.582 -3.508
88 HB2 PRO 10 1HB PRO 10 0.722 1.674 -4.674
89 HB3 PRO 10 2HB PRO 10 1.388 0.578 -3.448
90 HG2 PRO 10 1HG PRO 10 -0.350 2.529 -2.828
91 HG3 PRO 10 2HG PRO 10 0.940 2.026 -1.721
92 HD2 PRO 10 1HD PRO 10 0.786 4.471 -3.451
93 HD3 PRO 10 2HD PRO 10 1.480 4.266 -1.829
94 H TYR 11 H TYR 11 3.952 0.471 -5.434
95 HA TYR 11 HA TYR 11 4.741 1.954 -7.663
96 HB2 TYR 11 1HB TYR 11 5.618 -0.288 -7.215
97 HB3 TYR 11 2HB TYR 11 4.020 -0.985 -7.491
98 HD1 TYR 11 HD2 TYR 11 6.707 1.019 -9.144
99 HD2 TYR 11 HD1 TYR 11 3.305 -1.548 -9.670
100 HE1 TYR 11 HE2 TYR 11 7.160 0.913 -11.582
101 HE2 TYR 11 HE1 TYR 11 3.757 -1.651 -12.105
102 HH TYR 11 HH TYR 11 4.908 -0.313 -13.818
103 H ILE 12 H ILE 12 1.648 0.657 -6.789
104 HA ILE 12 HA ILE 12 0.506 0.776 -9.430
105 HB ILE 12 HB ILE 12 -0.772 0.573 -6.691
106 HG12 ILE 12 1HG1 ILE 12 -0.431 -1.540 -8.837
107 HG13 ILE 12 2HG1 ILE 12 0.724 -1.322 -7.522
108 HG21 ILE 12 1HG2 ILE 12 -2.413 1.482 -8.183
109 HG22 ILE 12 2HG2 ILE 12 -2.747 -0.246 -8.083
110 HG23 ILE 12 3HG2 ILE 12 -1.913 0.412 -9.492
111 HD11 ILE 12 3HD1 ILE 12 -1.095 -3.073 -7.131
112 HD12 ILE 12 1HD1 ILE 12 -2.235 -1.732 -7.033
113 HD13 ILE 12 2HD1 ILE 12 -0.918 -1.856 -5.868
114 H LEU 13 H LEU 13 -0.349 2.486 -10.429
115 HA LEU 13 HA LEU 13 -0.379 5.069 -9.061
116 HB2 LEU 13 1HB LEU 13 -0.469 6.042 -11.209
117 HB3 LEU 13 2HB LEU 13 0.590 4.648 -11.386
118 HG LEU 13 HG LEU 13 -1.840 3.488 -11.959
119 HD11 LEU 13 1HD1 LEU 13 -2.794 5.913 -11.801
120 HD12 LEU 13 2HD1 LEU 13 -3.258 4.914 -13.177
121 HD13 LEU 13 3HD1 LEU 13 -2.017 6.155 -13.364
122 HD21 LEU 13 3HD2 LEU 13 -1.198 3.885 -14.401
123 HD22 LEU 13 1HD2 LEU 13 0.051 3.160 -13.389
124 HD23 LEU 13 2HD2 LEU 13 0.128 4.875 -13.795
Start of MODEL 5
1 H1 GLU 1 1H GLU 1 -4.374 -11.483 11.308
2 H2 GLU 1 2H GLU 1 -5.454 -10.207 11.609
3 H3 GLU 1 3H GLU 1 -4.235 -10.034 10.437
4 HA GLU 1 HA GLU 1 -5.304 -11.947 9.225
5 HB2 GLU 1 1HB GLU 1 -6.650 -12.717 11.155
6 HB3 GLU 1 2HB GLU 1 -7.551 -11.201 11.120
7 HG2 GLU 1 1HG GLU 1 -8.357 -11.701 8.859
8 HG3 GLU 1 2HG GLU 1 -7.405 -13.184 8.830
9 H LEU 2 H LEU 2 -6.035 -8.795 10.461
10 HA LEU 2 HA LEU 2 -7.689 -7.943 8.276
11 HB2 LEU 2 1HB LEU 2 -6.140 -6.302 10.292
12 HB3 LEU 2 2HB LEU 2 -7.452 -5.723 9.264
13 HG LEU 2 HG LEU 2 -7.707 -7.944 11.319
14 HD11 LEU 2 1HD1 LEU 2 -9.081 -6.223 12.547
15 HD12 LEU 2 2HD1 LEU 2 -8.525 -5.020 11.385
16 HD13 LEU 2 3HD1 LEU 2 -7.367 -5.822 12.447
17 HD21 LEU 2 3HD2 LEU 2 -10.230 -7.269 10.869
18 HD22 LEU 2 1HD2 LEU 2 -9.409 -8.371 9.768
19 HD23 LEU 2 2HD2 LEU 2 -9.593 -6.671 9.337
20 H TYR 3 H TYR 3 -7.144 -6.629 6.539
21 HA TYR 3 HA TYR 3 -4.568 -7.051 5.402
22 HB2 TYR 3 1HB TYR 3 -6.623 -6.746 4.052
23 HB3 TYR 3 2HB TYR 3 -6.712 -5.069 4.591
24 HD1 TYR 3 HD2 TYR 3 -4.617 -7.515 2.730
25 HD2 TYR 3 HD1 TYR 3 -5.351 -3.374 3.601
26 HE1 TYR 3 HE2 TYR 3 -3.046 -6.858 0.927
27 HE2 TYR 3 HE1 TYR 3 -3.779 -2.717 1.800
28 HH TYR 3 HH TYR 3 -1.567 -4.716 0.469
29 H GLU 4 H GLU 4 -2.779 -5.797 5.391
30 HA GLU 4 HA GLU 4 -2.514 -3.740 7.343
31 HB2 GLU 4 1HB GLU 4 -0.660 -4.580 5.094
32 HB3 GLU 4 2HB GLU 4 -0.232 -3.456 6.382
33 HG2 GLU 4 1HG GLU 4 0.589 -5.480 7.222
34 HG3 GLU 4 2HG GLU 4 -0.995 -5.386 7.987
35 H ASN 5 H ASN 5 -0.713 -2.402 5.041
36 HA ASN 5 HA ASN 5 -2.740 -0.917 3.591
37 HB2 ASN 5 1HB ASN 5 -2.020 1.280 4.505
38 HB3 ASN 5 2HB ASN 5 -2.811 0.266 5.709
39 HD21 ASN 5 2HD2 ASN 5 -1.469 1.847 7.172
40 HD22 ASN 5 1HD2 ASN 5 0.107 1.349 7.561
41 H LYS 6 H LYS 6 -1.642 0.937 2.354
42 HA LYS 6 HA LYS 6 0.469 -0.165 0.800
43 HB2 LYS 6 1HB LYS 6 0.435 2.531 0.129
44 HB3 LYS 6 2HB LYS 6 -0.622 1.308 -0.581
45 HG2 LYS 6 1HG LYS 6 -2.394 1.816 0.955
46 HG3 LYS 6 2HG LYS 6 -1.332 2.800 1.955
47 HD2 LYS 6 1HD LYS 6 -2.568 4.379 0.703
48 HD3 LYS 6 2HD LYS 6 -1.027 4.283 -0.144
49 HE2 LYS 6 1HE LYS 6 -2.969 4.208 -1.700
50 HE3 LYS 6 2HE LYS 6 -1.992 2.744 -1.789
51 HZ1 LYS 6 3HZ LYS 6 -4.236 2.828 0.098
52 HZ2 LYS 6 1HZ LYS 6 -3.580 1.508 -0.739
53 HZ3 LYS 6 2HZ LYS 6 -4.575 2.618 -1.555
54 HA PRO 7 HA PRO 7 3.881 1.648 3.036
55 HB2 PRO 7 1HB PRO 7 5.834 1.659 1.232
56 HB3 PRO 7 2HB PRO 7 5.029 0.120 1.611
57 HG2 PRO 7 1HG PRO 7 4.548 1.973 -0.693
58 HG3 PRO 7 2HG PRO 7 4.766 0.207 -0.705
59 HD2 PRO 7 1HD PRO 7 2.284 1.455 -0.711
60 HD3 PRO 7 2HD PRO 7 2.563 -0.192 -0.099
61 H ARG 8 H ARG 8 5.402 3.148 0.434
62 HA ARG 8 HA ARG 8 4.534 5.785 1.326
63 HB2 ARG 8 1HB ARG 8 6.995 5.025 0.681
64 HB3 ARG 8 2HB ARG 8 6.448 5.358 -0.961
65 HG2 ARG 8 1HG ARG 8 5.777 7.644 -0.261
66 HG3 ARG 8 2HG ARG 8 6.367 7.305 1.366
67 HD2 ARG 8 1HD ARG 8 8.628 6.844 0.384
68 HD3 ARG 8 2HD ARG 8 8.011 7.370 -1.180
69 HE ARG 8 HE ARG 8 8.638 9.067 1.099
70 HH11 ARG 8 1HH2 ARG 8 6.995 8.686 -1.924
71 HH12 ARG 8 2HH2 ARG 8 6.865 10.388 -2.225
72 HH21 ARG 8 1HH1 ARG 8 8.474 11.300 0.707
73 HH22 ARG 8 2HH1 ARG 8 7.703 11.865 -0.737
74 H ARG 9 H ARG 9 5.168 6.618 -1.600
75 HA ARG 9 HA ARG 9 2.411 6.427 -2.495
76 HB2 ARG 9 1HB ARG 9 4.882 7.800 -3.559
77 HB3 ARG 9 2HB ARG 9 3.404 7.695 -4.516
78 HG2 ARG 9 1HG ARG 9 2.142 8.793 -2.709
79 HG3 ARG 9 2HG ARG 9 3.610 8.887 -1.736
80 HD2 ARG 9 1HD ARG 9 3.177 11.024 -2.893
81 HD3 ARG 9 2HD ARG 9 4.676 10.287 -3.453
82 HE ARG 9 HE ARG 9 2.807 9.362 -5.218
83 HH11 ARG 9 1HH2 ARG 9 3.756 12.472 -4.033
84 HH12 ARG 9 2HH2 ARG 9 3.327 13.309 -5.486
85 HH21 ARG 9 1HH1 ARG 9 2.240 10.452 -7.123
86 HH22 ARG 9 2HH1 ARG 9 2.469 12.164 -7.238
87 HA PRO 10 HA PRO 10 3.738 2.635 -4.535
88 HB2 PRO 10 1HB PRO 10 1.372 1.863 -5.656
89 HB3 PRO 10 2HB PRO 10 1.702 1.710 -3.917
90 HG2 PRO 10 1HG PRO 10 0.167 3.827 -5.369
91 HG3 PRO 10 2HG PRO 10 -0.230 2.988 -3.857
92 HD2 PRO 10 1HD PRO 10 0.872 5.491 -3.905
93 HD3 PRO 10 2HD PRO 10 1.172 4.341 -2.580
94 H TYR 11 H TYR 11 4.067 1.842 -6.706
95 HA TYR 11 HA TYR 11 4.572 3.901 -8.611
96 HB2 TYR 11 1HB TYR 11 4.561 0.894 -8.975
97 HB3 TYR 11 2HB TYR 11 5.276 2.066 -10.081
98 HD1 TYR 11 HD2 TYR 11 7.210 3.478 -9.327
99 HD2 TYR 11 HD1 TYR 11 5.676 0.235 -6.965
100 HE1 TYR 11 HE2 TYR 11 9.296 3.468 -7.985
101 HE2 TYR 11 HE1 TYR 11 7.762 0.224 -5.624
102 HH TYR 11 HH TYR 11 9.673 1.299 -5.192
103 H ILE 12 H ILE 12 2.175 4.607 -8.447
104 HA ILE 12 HA ILE 12 0.193 3.085 -9.799
105 HB ILE 12 HB ILE 12 -0.269 4.951 -8.182
106 HG12 ILE 12 1HG1 ILE 12 -1.521 5.424 -10.899
107 HG13 ILE 12 2HG1 ILE 12 -1.929 4.035 -9.891
108 HG21 ILE 12 1HG2 ILE 12 -0.055 7.228 -8.875
109 HG22 ILE 12 2HG2 ILE 12 0.294 6.760 -10.539
110 HG23 ILE 12 3HG2 ILE 12 1.486 6.465 -9.273
111 HD11 ILE 12 3HD1 ILE 12 -2.202 6.944 -9.076
112 HD12 ILE 12 1HD1 ILE 12 -2.602 5.552 -8.067
113 HD13 ILE 12 2HD1 ILE 12 -3.528 5.875 -9.533
114 H LEU 13 H LEU 13 2.410 5.649 -10.846
115 HA LEU 13 HA LEU 13 2.817 6.544 -12.939
116 HB2 LEU 13 1HB LEU 13 2.728 3.560 -13.303
117 HB3 LEU 13 2HB LEU 13 2.962 4.591 -14.714
118 HG LEU 13 HG LEU 13 4.893 5.672 -13.565
119 HD11 LEU 13 1HD1 LEU 13 4.180 3.640 -11.448
120 HD12 LEU 13 2HD1 LEU 13 4.404 5.379 -11.257
121 HD13 LEU 13 3HD1 LEU 13 5.794 4.338 -11.562
122 HD21 LEU 13 3HD2 LEU 13 5.388 3.874 -15.090
123 HD22 LEU 13 1HD2 LEU 13 4.927 2.660 -13.896
124 HD23 LEU 13 2HD2 LEU 13 6.387 3.622 -13.658
Start of MODEL 6
1 H1 GLU 1 1H GLU 1 -3.280 -7.974 10.795
2 H2 GLU 1 2H GLU 1 -2.979 -6.440 11.460
3 H3 GLU 1 3H GLU 1 -1.713 -7.561 11.296
4 HA GLU 1 HA GLU 1 -2.548 -5.619 9.473
5 HB2 GLU 1 1HB GLU 1 -0.593 -6.452 8.215
6 HB3 GLU 1 2HB GLU 1 -0.222 -6.310 9.933
7 HG2 GLU 1 1HG GLU 1 -0.693 -8.735 10.213
8 HG3 GLU 1 2HG GLU 1 -0.986 -8.863 8.479
9 H LEU 2 H LEU 2 -4.618 -7.643 9.806
10 HA LEU 2 HA LEU 2 -4.712 -9.437 7.628
11 HB2 LEU 2 1HB LEU 2 -6.915 -8.150 9.254
12 HB3 LEU 2 2HB LEU 2 -7.194 -9.425 8.072
13 HG LEU 2 HG LEU 2 -5.266 -9.711 10.394
14 HD11 LEU 2 1HD1 LEU 2 -8.163 -10.585 10.185
15 HD12 LEU 2 2HD1 LEU 2 -7.531 -9.342 11.263
16 HD13 LEU 2 3HD1 LEU 2 -7.060 -11.025 11.489
17 HD21 LEU 2 3HD2 LEU 2 -4.738 -11.379 8.799
18 HD22 LEU 2 1HD2 LEU 2 -6.422 -11.588 8.321
19 HD23 LEU 2 2HD2 LEU 2 -5.856 -12.206 9.872
20 H TYR 3 H TYR 3 -5.841 -6.105 8.010
21 HA TYR 3 HA TYR 3 -6.954 -5.991 5.346
22 HB2 TYR 3 1HB TYR 3 -6.377 -3.834 7.390
23 HB3 TYR 3 2HB TYR 3 -7.214 -3.564 5.861
24 HD1 TYR 3 HD2 TYR 3 -9.456 -4.461 5.468
25 HD2 TYR 3 HD1 TYR 3 -7.422 -5.110 9.196
26 HE1 TYR 3 HE2 TYR 3 -11.584 -5.201 6.500
27 HE2 TYR 3 HE1 TYR 3 -9.551 -5.851 10.229
28 HH TYR 3 HH TYR 3 -11.720 -6.802 9.482
29 H GLU 4 H GLU 4 -6.040 -5.103 3.531
30 HA GLU 4 HA GLU 4 -3.194 -5.045 3.372
31 HB2 GLU 4 1HB GLU 4 -5.328 -4.154 1.414
32 HB3 GLU 4 2HB GLU 4 -3.607 -4.201 1.043
33 HG2 GLU 4 1HG GLU 4 -4.339 -6.277 0.242
34 HG3 GLU 4 2HG GLU 4 -3.748 -6.692 1.848
35 H ASN 5 H ASN 5 -1.781 -3.379 3.355
36 HA ASN 5 HA ASN 5 -2.783 -0.610 3.429
37 HB2 ASN 5 1HB ASN 5 -2.613 -1.300 5.779
38 HB3 ASN 5 2HB ASN 5 -0.948 -1.816 5.515
39 HD21 ASN 5 2HD2 ASN 5 -3.047 1.097 5.374
40 HD22 ASN 5 1HD2 ASN 5 -1.794 2.199 5.680
41 H LYS 6 H LYS 6 -1.751 0.311 1.778
42 HA LYS 6 HA LYS 6 0.512 -0.596 0.484
43 HB2 LYS 6 1HB LYS 6 0.576 2.302 0.392
44 HB3 LYS 6 2HB LYS 6 0.056 1.175 -0.861
45 HG2 LYS 6 1HG LYS 6 -1.731 2.049 1.428
46 HG3 LYS 6 2HG LYS 6 -1.676 2.871 -0.127
47 HD2 LYS 6 1HD LYS 6 -2.639 1.087 -1.282
48 HD3 LYS 6 2HD LYS 6 -2.113 -0.108 -0.100
49 HE2 LYS 6 1HE LYS 6 -4.627 0.532 -0.143
50 HE3 LYS 6 2HE LYS 6 -3.818 0.472 1.423
51 HZ1 LYS 6 3HZ LYS 6 -3.328 2.962 0.851
52 HZ2 LYS 6 1HZ LYS 6 -4.805 2.504 1.548
53 HZ3 LYS 6 2HZ LYS 6 -4.709 2.794 -0.124
54 HA PRO 7 HA PRO 7 3.861 0.680 3.108
55 HB2 PRO 7 1HB PRO 7 5.889 1.000 1.418
56 HB3 PRO 7 2HB PRO 7 5.026 -0.552 1.442
57 HG2 PRO 7 1HG PRO 7 4.688 1.751 -0.448
58 HG3 PRO 7 2HG PRO 7 4.864 0.022 -0.815
59 HD2 PRO 7 1HD PRO 7 2.412 1.319 -0.652
60 HD3 PRO 7 2HD PRO 7 2.630 -0.426 -0.374
61 H ARG 8 H ARG 8 5.491 2.610 0.889
62 HA ARG 8 HA ARG 8 4.847 5.045 2.340
63 HB2 ARG 8 1HB ARG 8 7.209 4.516 1.824
64 HB3 ARG 8 2HB ARG 8 6.837 4.567 0.104
65 HG2 ARG 8 1HG ARG 8 6.126 6.932 0.338
66 HG3 ARG 8 2HG ARG 8 6.535 6.873 2.054
67 HD2 ARG 8 1HD ARG 8 8.876 6.255 1.417
68 HD3 ARG 8 2HD ARG 8 8.439 6.491 -0.272
69 HE ARG 8 HE ARG 8 8.833 8.573 1.735
70 HH11 ARG 8 1HH2 ARG 8 7.602 7.657 -1.370
71 HH12 ARG 8 2HH2 ARG 8 7.610 9.270 -2.002
72 HH21 ARG 8 1HH1 ARG 8 8.840 10.690 0.913
73 HH22 ARG 8 2HH1 ARG 8 8.308 10.987 -0.709
74 H ARG 9 H ARG 9 5.641 5.118 -1.027
75 HA ARG 9 HA ARG 9 3.102 6.450 -1.619
76 HB2 ARG 9 1HB ARG 9 4.378 6.734 -3.913
77 HB3 ARG 9 2HB ARG 9 4.834 7.731 -2.532
78 HG2 ARG 9 1HG ARG 9 6.662 6.223 -1.980
79 HG3 ARG 9 2HG ARG 9 6.171 5.108 -3.254
80 HD2 ARG 9 1HD ARG 9 6.929 7.982 -3.808
81 HD3 ARG 9 2HD ARG 9 8.104 6.674 -3.807
82 HE ARG 9 HE ARG 9 7.076 5.765 -5.740
83 HH11 ARG 9 1HH2 ARG 9 5.508 8.648 -4.595
84 HH12 ARG 9 2HH2 ARG 9 4.664 8.931 -6.077
85 HH21 ARG 9 1HH1 ARG 9 5.956 6.139 -7.668
86 HH22 ARG 9 2HH1 ARG 9 4.906 7.510 -7.808
87 HA PRO 10 HA PRO 10 1.976 2.418 -3.189
88 HB2 PRO 10 1HB PRO 10 -0.516 2.960 -4.154
89 HB3 PRO 10 2HB PRO 10 -0.167 2.883 -2.416
90 HG2 PRO 10 1HG PRO 10 -0.412 5.281 -4.180
91 HG3 PRO 10 2HG PRO 10 -1.065 5.012 -2.552
92 HD2 PRO 10 1HD PRO 10 1.235 6.434 -3.008
93 HD3 PRO 10 2HD PRO 10 0.952 5.517 -1.510
94 H TYR 11 H TYR 11 1.603 1.340 -5.256
95 HA TYR 11 HA TYR 11 3.101 2.359 -7.376
96 HB2 TYR 11 1HB TYR 11 0.918 0.267 -7.402
97 HB3 TYR 11 2HB TYR 11 2.012 0.580 -8.748
98 HD1 TYR 11 HD2 TYR 11 4.399 0.047 -8.592
99 HD2 TYR 11 HD1 TYR 11 1.714 -0.775 -5.339
100 HE1 TYR 11 HE2 TYR 11 6.111 -1.411 -7.547
101 HE2 TYR 11 HE1 TYR 11 3.425 -2.235 -4.296
102 HH TYR 11 HH TYR 11 5.869 -2.522 -4.338
103 H ILE 12 H ILE 12 2.720 3.781 -8.923
104 HA ILE 12 HA ILE 12 0.099 4.223 -10.032
105 HB ILE 12 HB ILE 12 -0.062 5.545 -7.967
106 HG12 ILE 12 1HG1 ILE 12 0.283 7.391 -10.345
107 HG13 ILE 12 2HG1 ILE 12 -1.084 6.291 -10.168
108 HG21 ILE 12 1HG2 ILE 12 2.012 7.501 -8.890
109 HG22 ILE 12 2HG2 ILE 12 2.595 6.010 -8.149
110 HG23 ILE 12 3HG2 ILE 12 1.514 7.075 -7.254
111 HD11 ILE 12 3HD1 ILE 12 -1.862 7.393 -8.218
112 HD12 ILE 12 1HD1 ILE 12 -1.407 8.701 -9.310
113 HD13 ILE 12 2HD1 ILE 12 -0.333 8.242 -7.988
114 H LEU 13 H LEU 13 1.404 3.526 -11.849
115 HA LEU 13 HA LEU 13 3.340 5.527 -12.857
116 HB2 LEU 13 1HB LEU 13 2.788 2.704 -13.806
117 HB3 LEU 13 2HB LEU 13 4.067 3.768 -14.389
118 HG LEU 13 HG LEU 13 3.779 2.786 -11.533
119 HD11 LEU 13 1HD1 LEU 13 5.765 1.410 -12.065
120 HD12 LEU 13 2HD1 LEU 13 5.715 1.990 -13.729
121 HD13 LEU 13 3HD1 LEU 13 4.403 0.992 -13.104
122 HD21 LEU 13 3HD2 LEU 13 4.948 4.815 -11.353
123 HD22 LEU 13 1HD2 LEU 13 5.704 4.640 -12.936
124 HD23 LEU 13 2HD2 LEU 13 6.266 3.670 -11.574
Start of MODEL 7
1 H1 GLU 1 1H GLU 1 -3.545 -9.242 9.907
2 H2 GLU 1 2H GLU 1 -3.118 -8.053 11.043
3 H3 GLU 1 3H GLU 1 -2.281 -8.163 9.568
4 HA GLU 1 HA GLU 1 -5.082 -7.296 9.999
5 HB2 GLU 1 1HB GLU 1 -3.269 -5.624 10.355
6 HB3 GLU 1 2HB GLU 1 -2.694 -5.934 8.715
7 HG2 GLU 1 1HG GLU 1 -4.854 -5.211 7.800
8 HG3 GLU 1 2HG GLU 1 -5.469 -4.941 9.430
9 H LEU 2 H LEU 2 -6.445 -7.989 8.479
10 HA LEU 2 HA LEU 2 -5.658 -9.438 6.186
11 HB2 LEU 2 1HB LEU 2 -8.270 -8.051 6.836
12 HB3 LEU 2 2HB LEU 2 -8.041 -9.153 5.481
13 HG LEU 2 HG LEU 2 -7.569 -9.876 8.390
14 HD11 LEU 2 1HD1 LEU 2 -9.834 -10.787 6.602
15 HD12 LEU 2 2HD1 LEU 2 -9.979 -9.402 7.683
16 HD13 LEU 2 3HD1 LEU 2 -9.673 -11.009 8.344
17 HD21 LEU 2 3HD2 LEU 2 -7.260 -11.338 5.776
18 HD22 LEU 2 1HD2 LEU 2 -7.808 -12.250 7.183
19 HD23 LEU 2 2HD2 LEU 2 -6.261 -11.413 7.226
20 H TYR 3 H TYR 3 -6.588 -6.055 6.652
21 HA TYR 3 HA TYR 3 -6.543 -5.365 3.884
22 HB2 TYR 3 1HB TYR 3 -6.277 -3.655 6.369
23 HB3 TYR 3 2HB TYR 3 -6.487 -3.024 4.736
24 HD1 TYR 3 HD1 TYR 3 -8.075 -4.994 7.441
25 HD2 TYR 3 HD2 TYR 3 -8.614 -3.131 3.608
26 HE1 TYR 3 HE1 TYR 3 -10.527 -5.296 7.639
27 HE2 TYR 3 HE2 TYR 3 -11.069 -3.435 3.807
28 HH TYR 3 HH TYR 3 -12.593 -4.214 6.705
29 H GLU 4 H GLU 4 -4.922 -4.593 2.620
30 HA GLU 4 HA GLU 4 -2.208 -5.071 3.480
31 HB2 GLU 4 1HB GLU 4 -3.384 -4.011 0.903
32 HB3 GLU 4 2HB GLU 4 -1.659 -4.281 1.156
33 HG2 GLU 4 1HG GLU 4 -2.056 -6.649 1.597
34 HG3 GLU 4 2HG GLU 4 -3.798 -6.408 1.471
35 H ASN 5 H ASN 5 -0.803 -3.629 4.264
36 HA ASN 5 HA ASN 5 -1.647 -0.851 4.596
37 HB2 ASN 5 1HB ASN 5 0.723 -2.429 5.612
38 HB3 ASN 5 2HB ASN 5 0.494 -0.709 5.925
39 HD21 ASN 5 2HD2 ASN 5 0.507 -2.702 8.026
40 HD22 ASN 5 1HD2 ASN 5 -1.045 -2.738 8.711
41 H LYS 6 H LYS 6 -0.977 0.782 3.351
42 HA LYS 6 HA LYS 6 0.802 0.278 1.137
43 HB2 LYS 6 1HB LYS 6 -0.524 2.826 2.088
44 HB3 LYS 6 2HB LYS 6 0.361 2.653 0.572
45 HG2 LYS 6 1HG LYS 6 -1.247 1.174 -0.339
46 HG3 LYS 6 2HG LYS 6 -1.937 0.804 1.243
47 HD2 LYS 6 1HD LYS 6 -2.754 3.146 1.411
48 HD3 LYS 6 2HD LYS 6 -2.127 3.462 -0.206
49 HE2 LYS 6 1HE LYS 6 -4.075 1.218 0.333
50 HE3 LYS 6 2HE LYS 6 -4.616 2.854 -0.034
51 HZ1 LYS 6 3HZ LYS 6 -4.269 2.463 -2.167
52 HZ2 LYS 6 1HZ LYS 6 -3.775 0.879 -1.818
53 HZ3 LYS 6 2HZ LYS 6 -2.630 2.134 -1.873
54 HA PRO 7 HA PRO 7 4.352 2.032 3.253
55 HB2 PRO 7 1HB PRO 7 6.116 2.159 1.283
56 HB3 PRO 7 2HB PRO 7 5.373 0.585 1.636
57 HG2 PRO 7 1HG PRO 7 4.581 2.592 -0.447
58 HG3 PRO 7 2HG PRO 7 4.926 0.857 -0.653
59 HD2 PRO 7 1HD PRO 7 2.371 1.836 -0.318
60 HD3 PRO 7 2HD PRO 7 2.867 0.208 0.214
61 H ARG 8 H ARG 8 5.804 3.763 0.914
62 HA ARG 8 HA ARG 8 4.622 6.277 1.785
63 HB2 ARG 8 1HB ARG 8 7.101 6.065 1.605
64 HB3 ARG 8 2HB ARG 8 6.926 5.787 -0.128
65 HG2 ARG 8 1HG ARG 8 5.819 7.999 -0.352
66 HG3 ARG 8 2HG ARG 8 6.061 8.277 1.373
67 HD2 ARG 8 1HD ARG 8 8.299 7.730 -0.595
68 HD3 ARG 8 2HD ARG 8 7.821 9.340 -0.063
69 HE ARG 8 HE ARG 8 9.287 7.365 1.486
70 HH11 ARG 8 1HH2 ARG 8 7.319 10.211 1.477
71 HH12 ARG 8 2HH2 ARG 8 7.885 10.776 3.013
72 HH21 ARG 8 1HH1 ARG 8 10.034 8.099 3.503
73 HH22 ARG 8 2HH1 ARG 8 9.421 9.579 4.162
74 H ARG 9 H ARG 9 5.758 5.407 -1.429
75 HA ARG 9 HA ARG 9 3.278 6.455 -2.603
76 HB2 ARG 9 1HB ARG 9 6.042 5.900 -3.668
77 HB3 ARG 9 2HB ARG 9 4.675 6.097 -4.765
78 HG2 ARG 9 1HG ARG 9 4.206 8.312 -3.821
79 HG3 ARG 9 2HG ARG 9 5.528 8.119 -2.671
80 HD2 ARG 9 1HD ARG 9 5.938 7.953 -5.661
81 HD3 ARG 9 2HD ARG 9 6.066 9.468 -4.770
82 HE ARG 9 HE ARG 9 7.732 7.839 -3.388
83 HH11 ARG 9 1HH2 ARG 9 7.320 8.556 -6.747
84 HH12 ARG 9 2HH2 ARG 9 8.985 8.295 -7.149
85 HH21 ARG 9 1HH1 ARG 9 9.920 7.503 -3.906
86 HH22 ARG 9 2HH1 ARG 9 10.457 7.700 -5.541
87 HA PRO 10 HA PRO 10 2.551 1.962 -2.802
88 HB2 PRO 10 1HB PRO 10 -0.144 2.020 -3.362
89 HB3 PRO 10 2HB PRO 10 0.522 2.212 -1.728
90 HG2 PRO 10 1HG PRO 10 -0.489 4.287 -3.611
91 HG3 PRO 10 2HG PRO 10 -0.633 4.196 -1.848
92 HD2 PRO 10 1HD PRO 10 1.193 5.797 -3.166
93 HD3 PRO 10 2HD PRO 10 1.416 5.210 -1.502
94 H TYR 11 H TYR 11 3.454 3.700 -5.053
95 HA TYR 11 HA TYR 11 3.568 3.724 -7.356
96 HB2 TYR 11 1HB TYR 11 3.074 0.783 -6.830
97 HB3 TYR 11 2HB TYR 11 3.665 1.450 -8.353
98 HD1 TYR 11 HD2 TYR 11 4.451 0.984 -4.758
99 HD2 TYR 11 HD1 TYR 11 5.933 2.202 -8.602
100 HE1 TYR 11 HE2 TYR 11 6.763 0.999 -3.862
101 HE2 TYR 11 HE1 TYR 11 8.246 2.215 -7.705
102 HH TYR 11 HH TYR 11 9.343 2.455 -5.462
103 H ILE 12 H ILE 12 1.768 4.946 -7.919
104 HA ILE 12 HA ILE 12 -0.871 3.898 -8.091
105 HB ILE 12 HB ILE 12 -0.286 6.335 -7.925
106 HG12 ILE 12 1HG1 ILE 12 -2.009 7.071 -9.599
107 HG13 ILE 12 2HG1 ILE 12 -1.984 5.450 -10.285
108 HG21 ILE 12 1HG2 ILE 12 0.542 7.518 -9.816
109 HG22 ILE 12 2HG2 ILE 12 0.288 6.140 -10.886
110 HG23 ILE 12 3HG2 ILE 12 1.571 6.093 -9.677
111 HD11 ILE 12 3HD1 ILE 12 -3.767 6.138 -8.428
112 HD12 ILE 12 1HD1 ILE 12 -2.454 5.707 -7.333
113 HD13 ILE 12 2HD1 ILE 12 -3.082 4.516 -8.473
114 H LEU 13 H LEU 13 1.756 4.311 -10.424
115 HA LEU 13 HA LEU 13 0.243 3.401 -12.674
116 HB2 LEU 13 1HB LEU 13 2.237 4.843 -12.905
117 HB3 LEU 13 2HB LEU 13 3.244 3.542 -12.277
118 HG LEU 13 HG LEU 13 2.568 2.107 -14.185
119 HD11 LEU 13 1HD1 LEU 13 1.471 3.522 -16.135
120 HD12 LEU 13 2HD1 LEU 13 0.854 4.503 -14.805
121 HD13 LEU 13 3HD1 LEU 13 0.451 2.789 -14.899
122 HD21 LEU 13 3HD2 LEU 13 3.732 3.474 -15.964
123 HD22 LEU 13 1HD2 LEU 13 4.601 3.388 -14.432
124 HD23 LEU 13 2HD2 LEU 13 3.695 4.842 -14.852
Start of MODEL 8
1 H1 GLU 1 1H GLU 1 -5.516 -8.365 9.110
2 H2 GLU 1 2H GLU 1 -4.485 -8.414 10.459
3 H3 GLU 1 3H GLU 1 -5.679 -9.605 10.255
4 HA GLU 1 HA GLU 1 -3.062 -9.757 9.451
5 HB2 GLU 1 1HB GLU 1 -4.620 -11.613 10.030
6 HB3 GLU 1 2HB GLU 1 -5.453 -11.357 8.497
7 HG2 GLU 1 1HG GLU 1 -3.379 -11.843 7.270
8 HG3 GLU 1 2HG GLU 1 -2.521 -12.069 8.793
9 H LEU 2 H LEU 2 -5.816 -8.591 7.698
10 HA LEU 2 HA LEU 2 -4.686 -8.885 5.071
11 HB2 LEU 2 1HB LEU 2 -6.944 -7.084 5.979
12 HB3 LEU 2 2HB LEU 2 -6.612 -7.621 4.332
13 HG LEU 2 HG LEU 2 -7.298 -9.449 6.654
14 HD11 LEU 2 1HD1 LEU 2 -9.180 -7.996 5.863
15 HD12 LEU 2 2HD1 LEU 2 -9.463 -9.712 5.571
16 HD13 LEU 2 3HD1 LEU 2 -8.966 -8.663 4.244
17 HD21 LEU 2 3HD2 LEU 2 -6.608 -9.904 3.749
18 HD22 LEU 2 1HD2 LEU 2 -7.671 -11.032 4.590
19 HD23 LEU 2 2HD2 LEU 2 -6.033 -10.768 5.176
20 H TYR 3 H TYR 3 -4.807 -6.660 3.727
21 HA TYR 3 HA TYR 3 -2.507 -5.220 4.352
22 HB2 TYR 3 1HB TYR 3 -4.894 -4.272 2.745
23 HB3 TYR 3 2HB TYR 3 -3.265 -3.599 2.675
24 HD1 TYR 3 HD2 TYR 3 -1.401 -4.895 1.706
25 HD2 TYR 3 HD1 TYR 3 -5.419 -6.412 1.737
26 HE1 TYR 3 HE2 TYR 3 -0.763 -6.620 0.041
27 HE2 TYR 3 HE1 TYR 3 -4.781 -8.136 0.074
28 HH TYR 3 HH TYR 3 -2.796 -8.232 -1.808
29 H GLU 4 H GLU 4 -2.341 -4.359 6.366
30 HA GLU 4 HA GLU 4 -4.434 -3.023 7.743
31 HB2 GLU 4 1HB GLU 4 -2.488 -4.036 8.878
32 HB3 GLU 4 2HB GLU 4 -1.441 -2.817 8.151
33 HG2 GLU 4 1HG GLU 4 -2.668 -1.034 9.296
34 HG3 GLU 4 2HG GLU 4 -3.794 -2.214 9.966
35 H ASN 5 H ASN 5 -1.722 -1.870 5.761
36 HA ASN 5 HA ASN 5 -3.150 0.551 5.121
37 HB2 ASN 5 1HB ASN 5 -2.162 1.030 7.389
38 HB3 ASN 5 2HB ASN 5 -0.566 0.838 6.663
39 HD21 ASN 5 2HD2 ASN 5 0.081 3.060 6.811
40 HD22 ASN 5 1HD2 ASN 5 -0.700 4.299 5.953
41 H LYS 6 H LYS 6 -1.849 1.972 3.680
42 HA LYS 6 HA LYS 6 -0.462 0.376 1.720
43 HB2 LYS 6 1HB LYS 6 -1.234 3.281 1.941
44 HB3 LYS 6 2HB LYS 6 -0.205 2.720 0.626
45 HG2 LYS 6 1HG LYS 6 -1.926 1.098 -0.051
46 HG3 LYS 6 2HG LYS 6 -2.953 1.606 1.288
47 HD2 LYS 6 1HD LYS 6 -1.972 3.637 -0.720
48 HD3 LYS 6 2HD LYS 6 -3.365 2.626 -1.098
49 HE2 LYS 6 1HE LYS 6 -4.428 3.387 1.051
50 HE3 LYS 6 2HE LYS 6 -3.084 4.507 1.266
51 HZ1 LYS 6 3HZ LYS 6 -4.732 4.464 -1.189
52 HZ2 LYS 6 1HZ LYS 6 -3.673 5.679 -0.661
53 HZ3 LYS 6 2HZ LYS 6 -5.138 5.416 0.157
54 HA PRO 7 HA PRO 7 3.602 1.513 3.187
55 HB2 PRO 7 1HB PRO 7 5.143 0.858 1.121
56 HB3 PRO 7 2HB PRO 7 4.116 -0.395 1.850
57 HG2 PRO 7 1HG PRO 7 3.570 1.288 -0.569
58 HG3 PRO 7 2HG PRO 7 3.481 -0.483 -0.407
59 HD2 PRO 7 1HD PRO 7 1.275 1.135 -0.163
60 HD3 PRO 7 2HD PRO 7 1.437 -0.409 0.710
61 H ARG 8 H ARG 8 4.979 2.330 0.257
62 HA ARG 8 HA ARG 8 4.782 5.183 0.839
63 HB2 ARG 8 1HB ARG 8 6.984 4.151 0.237
64 HB3 ARG 8 2HB ARG 8 6.332 3.764 -1.352
65 HG2 ARG 8 1HG ARG 8 5.990 6.139 -1.833
66 HG3 ARG 8 2HG ARG 8 6.493 6.566 -0.198
67 HD2 ARG 8 1HD ARG 8 8.256 5.107 -2.180
68 HD3 ARG 8 2HD ARG 8 8.298 6.849 -1.926
69 HE ARG 8 HE ARG 8 8.588 5.628 0.578
70 HH11 ARG 8 1HH2 ARG 8 10.233 5.856 -2.462
71 HH12 ARG 8 2HH2 ARG 8 11.812 5.669 -1.774
72 HH21 ARG 8 1HH1 ARG 8 10.655 5.385 1.480
73 HH22 ARG 8 2HH1 ARG 8 12.050 5.399 0.455
74 H ARG 9 H ARG 9 5.148 4.446 -2.449
75 HA ARG 9 HA ARG 9 2.424 5.394 -3.017
76 HB2 ARG 9 1HB ARG 9 4.998 5.284 -4.583
77 HB3 ARG 9 2HB ARG 9 3.459 5.432 -5.428
78 HG2 ARG 9 1HG ARG 9 4.057 7.293 -3.131
79 HG3 ARG 9 2HG ARG 9 4.786 7.607 -4.702
80 HD2 ARG 9 1HD ARG 9 2.721 7.978 -5.738
81 HD3 ARG 9 2HD ARG 9 1.828 7.067 -4.524
82 HE ARG 9 HE ARG 9 3.089 9.413 -3.433
83 HH11 ARG 9 1HH2 ARG 9 0.389 8.180 -5.209
84 HH12 ARG 9 2HH2 ARG 9 -0.686 9.451 -4.728
85 HH21 ARG 9 1HH1 ARG 9 1.687 11.088 -2.800
86 HH22 ARG 9 2HH1 ARG 9 0.049 11.097 -3.365
87 HA PRO 10 HA PRO 10 1.794 0.994 -3.754
88 HB2 PRO 10 1HB PRO 10 -0.847 1.024 -4.472
89 HB3 PRO 10 2HB PRO 10 -0.305 1.223 -2.791
90 HG2 PRO 10 1HG PRO 10 -1.144 3.305 -4.765
91 HG3 PRO 10 2HG PRO 10 -1.534 3.169 -3.039
92 HD2 PRO 10 1HD PRO 10 0.417 4.844 -3.997
93 HD3 PRO 10 2HD PRO 10 0.481 4.120 -2.373
94 H TYR 11 H TYR 11 3.252 1.125 -5.595
95 HA TYR 11 HA TYR 11 3.821 1.300 -7.858
96 HB2 TYR 11 1HB TYR 11 3.252 -1.056 -7.389
97 HB3 TYR 11 2HB TYR 11 1.584 -0.737 -7.864
98 HD1 TYR 11 HD1 TYR 11 5.105 -0.543 -9.105
99 HD2 TYR 11 HD2 TYR 11 0.946 -0.846 -10.138
100 HE1 TYR 11 HE1 TYR 11 5.721 -0.899 -11.481
101 HE2 TYR 11 HE2 TYR 11 1.562 -1.202 -12.513
102 HH TYR 11 HH TYR 11 4.975 -1.173 -13.550
103 H ILE 12 H ILE 12 2.753 3.554 -7.894
104 HA ILE 12 HA ILE 12 0.761 3.568 -10.083
105 HB ILE 12 HB ILE 12 -0.409 4.008 -7.940
106 HG12 ILE 12 1HG1 ILE 12 -0.165 6.546 -9.573
107 HG13 ILE 12 2HG1 ILE 12 -1.005 5.112 -10.167
108 HG21 ILE 12 1HG2 ILE 12 1.652 5.067 -6.874
109 HG22 ILE 12 2HG2 ILE 12 0.129 5.909 -6.594
110 HG23 ILE 12 3HG2 ILE 12 1.269 6.522 -7.793
111 HD11 ILE 12 3HD1 ILE 12 -2.529 6.772 -9.061
112 HD12 ILE 12 1HD1 ILE 12 -1.657 6.503 -7.553
113 HD13 ILE 12 2HD1 ILE 12 -2.557 5.182 -8.300
114 H LEU 13 H LEU 13 1.265 4.905 -11.699
115 HA LEU 13 HA LEU 13 2.813 7.297 -11.308
116 HB2 LEU 13 1HB LEU 13 4.440 5.227 -11.409
117 HB3 LEU 13 2HB LEU 13 4.110 5.290 -13.135
118 HG LEU 13 HG LEU 13 6.098 6.592 -12.704
119 HD11 LEU 13 1HD1 LEU 13 4.306 7.464 -14.300
120 HD12 LEU 13 2HD1 LEU 13 5.492 8.641 -13.739
121 HD13 LEU 13 3HD1 LEU 13 3.878 8.614 -13.032
122 HD21 LEU 13 3HD2 LEU 13 5.201 7.062 -10.211
123 HD22 LEU 13 1HD2 LEU 13 4.691 8.582 -10.952
124 HD23 LEU 13 2HD2 LEU 13 6.386 8.107 -10.986
Start of MODEL 9
1 H1 GLU 1 1H GLU 1 -4.505 -7.602 10.965
2 H2 GLU 1 2H GLU 1 -4.636 -6.046 11.637
3 H3 GLU 1 3H GLU 1 -3.358 -6.413 10.581
4 HA GLU 1 HA GLU 1 -6.235 -6.154 9.923
5 HB2 GLU 1 1HB GLU 1 -4.857 -4.080 10.055
6 HB3 GLU 1 2HB GLU 1 -3.763 -4.761 8.852
7 HG2 GLU 1 1HG GLU 1 -5.615 -4.917 7.239
8 HG3 GLU 1 2HG GLU 1 -6.725 -4.260 8.441
9 H LEU 2 H LEU 2 -6.957 -7.523 8.427
10 HA LEU 2 HA LEU 2 -5.340 -9.469 7.172
11 HB2 LEU 2 1HB LEU 2 -8.131 -8.480 6.562
12 HB3 LEU 2 2HB LEU 2 -7.394 -9.852 5.747
13 HG LEU 2 HG LEU 2 -7.662 -9.656 8.761
14 HD11 LEU 2 1HD1 LEU 2 -9.902 -9.681 7.969
15 HD12 LEU 2 2HD1 LEU 2 -9.540 -11.363 8.356
16 HD13 LEU 2 3HD1 LEU 2 -9.518 -10.820 6.678
17 HD21 LEU 2 3HD2 LEU 2 -6.777 -11.793 6.819
18 HD22 LEU 2 1HD2 LEU 2 -7.524 -12.267 8.345
19 HD23 LEU 2 2HD2 LEU 2 -6.050 -11.310 8.350
20 H TYR 3 H TYR 3 -6.662 -6.388 6.022
21 HA TYR 3 HA TYR 3 -5.523 -6.712 3.379
22 HB2 TYR 3 1HB TYR 3 -6.847 -4.358 4.744
23 HB3 TYR 3 2HB TYR 3 -6.317 -4.362 3.061
24 HD1 TYR 3 HD2 TYR 3 -8.688 -5.832 5.489
25 HD2 TYR 3 HD1 TYR 3 -7.486 -5.638 1.370
26 HE1 TYR 3 HE2 TYR 3 -10.796 -6.957 4.819
27 HE2 TYR 3 HE1 TYR 3 -9.591 -6.763 0.702
28 HH TYR 3 HH TYR 3 -12.225 -7.137 2.810
29 H GLU 4 H GLU 4 -3.674 -5.826 2.590
30 HA GLU 4 HA GLU 4 -1.722 -4.875 4.529
31 HB2 GLU 4 1HB GLU 4 -1.551 -5.488 1.573
32 HB3 GLU 4 2HB GLU 4 -0.188 -4.922 2.540
33 HG2 GLU 4 1HG GLU 4 -0.386 -6.862 4.015
34 HG3 GLU 4 2HG GLU 4 -1.810 -7.413 3.134
35 H ASN 5 H ASN 5 -1.350 -2.804 4.945
36 HA ASN 5 HA ASN 5 -2.545 -0.731 3.259
37 HB2 ASN 5 1HB ASN 5 -2.764 -0.646 5.737
38 HB3 ASN 5 2HB ASN 5 -1.014 -0.472 5.858
39 HD21 ASN 5 2HD2 ASN 5 -3.833 1.092 4.237
40 HD22 ASN 5 1HD2 ASN 5 -3.196 2.664 4.331
41 H LYS 6 H LYS 6 -1.402 0.004 1.583
42 HA LYS 6 HA LYS 6 1.234 -0.461 0.986
43 HB2 LYS 6 1HB LYS 6 0.460 2.250 0.124
44 HB3 LYS 6 2HB LYS 6 0.786 0.818 -0.853
45 HG2 LYS 6 1HG LYS 6 -1.494 -0.033 -0.338
46 HG3 LYS 6 2HG LYS 6 -1.815 1.445 0.572
47 HD2 LYS 6 1HD LYS 6 -1.177 2.705 -1.582
48 HD3 LYS 6 2HD LYS 6 -1.333 1.147 -2.393
49 HE2 LYS 6 1HE LYS 6 -3.650 0.945 -1.521
50 HE3 LYS 6 2HE LYS 6 -3.492 2.539 -0.780
51 HZ1 LYS 6 3HZ LYS 6 -4.563 2.804 -2.868
52 HZ2 LYS 6 1HZ LYS 6 -3.386 1.884 -3.671
53 HZ3 LYS 6 2HZ LYS 6 -2.983 3.406 -3.036
54 HA PRO 7 HA PRO 7 3.472 2.343 3.627
55 HB2 PRO 7 1HB PRO 7 5.775 2.662 2.347
56 HB3 PRO 7 2HB PRO 7 5.229 1.014 2.725
57 HG2 PRO 7 1HG PRO 7 4.994 2.520 0.145
58 HG3 PRO 7 2HG PRO 7 5.559 0.858 0.420
59 HD2 PRO 7 1HD PRO 7 2.953 1.506 -0.324
60 HD3 PRO 7 2HD PRO 7 3.406 0.010 0.530
61 H ARG 8 H ARG 8 5.259 3.917 1.260
62 HA ARG 8 HA ARG 8 3.750 6.387 1.586
63 HB2 ARG 8 1HB ARG 8 6.409 5.738 0.302
64 HB3 ARG 8 2HB ARG 8 5.664 7.332 0.192
65 HG2 ARG 8 1HG ARG 8 5.628 7.494 2.645
66 HG3 ARG 8 2HG ARG 8 6.363 5.895 2.767
67 HD2 ARG 8 1HD ARG 8 7.620 8.233 1.311
68 HD3 ARG 8 2HD ARG 8 8.015 7.780 2.967
69 HE ARG 8 HE ARG 8 8.811 6.383 0.543
70 HH11 ARG 8 1HH2 ARG 8 8.348 6.279 3.972
71 HH12 ARG 8 2HH2 ARG 8 9.448 4.963 4.218
72 HH21 ARG 8 1HH1 ARG 8 10.254 4.661 0.860
73 HH22 ARG 8 2HH1 ARG 8 10.529 4.050 2.457
74 H ARG 9 H ARG 9 5.451 6.017 -1.305
75 HA ARG 9 HA ARG 9 2.979 6.075 -2.880
76 HB2 ARG 9 1HB ARG 9 5.874 6.621 -3.570
77 HB3 ARG 9 2HB ARG 9 4.545 6.712 -4.727
78 HG2 ARG 9 1HG ARG 9 3.620 8.614 -3.731
79 HG3 ARG 9 2HG ARG 9 4.325 8.264 -2.156
80 HD2 ARG 9 1HD ARG 9 5.479 10.162 -3.110
81 HD3 ARG 9 2HD ARG 9 6.581 8.793 -3.096
82 HE ARG 9 HE ARG 9 5.310 9.994 -5.464
83 HH11 ARG 9 1HH2 ARG 9 7.352 7.550 -4.071
84 HH12 ARG 9 2HH2 ARG 9 8.086 7.124 -5.579
85 HH21 ARG 9 1HH1 ARG 9 6.274 9.423 -7.429
86 HH22 ARG 9 2HH1 ARG 9 7.480 8.180 -7.474
87 HA PRO 10 HA PRO 10 4.136 1.727 -3.429
88 HB2 PRO 10 1HB PRO 10 1.859 0.816 -4.611
89 HB3 PRO 10 2HB PRO 10 1.945 1.190 -2.876
90 HG2 PRO 10 1HG PRO 10 0.833 2.833 -5.111
91 HG3 PRO 10 2HG PRO 10 0.181 2.557 -3.486
92 HD2 PRO 10 1HD PRO 10 1.576 4.825 -4.191
93 HD3 PRO 10 2HD PRO 10 1.520 4.195 -2.528
94 H TYR 11 H TYR 11 4.134 4.121 -5.585
95 HA TYR 11 HA TYR 11 4.876 4.392 -7.736
96 HB2 TYR 11 1HB TYR 11 5.675 1.476 -7.566
97 HB3 TYR 11 2HB TYR 11 6.290 2.679 -8.696
98 HD1 TYR 11 HD2 TYR 11 7.611 4.642 -7.833
99 HD2 TYR 11 HD1 TYR 11 6.525 1.315 -5.340
100 HE1 TYR 11 HE2 TYR 11 9.330 5.320 -6.177
101 HE2 TYR 11 HE1 TYR 11 8.245 1.992 -3.687
102 HH TYR 11 HH TYR 11 9.568 4.896 -3.497
103 H ILE 12 H ILE 12 2.208 2.894 -6.958
104 HA ILE 12 HA ILE 12 1.524 2.030 -9.718
105 HB ILE 12 HB ILE 12 0.328 1.192 -7.065
106 HG12 ILE 12 1HG1 ILE 12 1.689 -0.480 -9.193
107 HG13 ILE 12 2HG1 ILE 12 2.554 0.194 -7.812
108 HG21 ILE 12 1HG2 ILE 12 -0.480 0.655 -9.929
109 HG22 ILE 12 2HG2 ILE 12 -1.476 1.295 -8.624
110 HG23 ILE 12 3HG2 ILE 12 -0.971 -0.394 -8.601
111 HD11 ILE 12 3HD1 ILE 12 1.064 -0.991 -6.267
112 HD12 ILE 12 1HD1 ILE 12 1.801 -2.136 -7.387
113 HD13 ILE 12 2HD1 ILE 12 0.132 -1.621 -7.625
114 H LEU 13 H LEU 13 0.061 3.208 -10.775
115 HA LEU 13 HA LEU 13 -2.058 4.614 -9.413
116 HB2 LEU 13 1HB LEU 13 -0.210 6.198 -9.087
117 HB3 LEU 13 2HB LEU 13 0.120 6.188 -10.818
118 HG LEU 13 HG LEU 13 -2.106 7.137 -11.268
119 HD11 LEU 13 1HD1 LEU 13 -2.418 6.748 -8.296
120 HD12 LEU 13 2HD1 LEU 13 -3.555 6.378 -9.591
121 HD13 LEU 13 3HD1 LEU 13 -3.297 8.050 -9.100
122 HD21 LEU 13 3HD2 LEU 13 -0.475 8.599 -9.170
123 HD22 LEU 13 1HD2 LEU 13 -1.733 9.357 -10.148
124 HD23 LEU 13 2HD2 LEU 13 -0.287 8.705 -10.920
Start of MODEL 10
1 H1 GLU 1 1H GLU 1 -7.693 -12.098 6.012
2 H2 GLU 1 2H GLU 1 -6.349 -13.095 5.725
3 H3 GLU 1 3H GLU 1 -6.470 -11.585 4.956
4 HA GLU 1 HA GLU 1 -6.281 -11.923 7.895
5 HB2 GLU 1 1HB GLU 1 -3.915 -11.075 7.522
6 HB3 GLU 1 2HB GLU 1 -4.207 -12.730 6.988
7 HG2 GLU 1 1HG GLU 1 -4.482 -10.378 5.111
8 HG3 GLU 1 2HG GLU 1 -2.941 -11.196 5.357
9 H LEU 2 H LEU 2 -4.974 -9.708 8.499
10 HA LEU 2 HA LEU 2 -6.873 -7.613 7.960
11 HB2 LEU 2 1HB LEU 2 -4.226 -7.549 9.433
12 HB3 LEU 2 2HB LEU 2 -5.428 -6.261 9.439
13 HG LEU 2 HG LEU 2 -5.935 -9.093 10.403
14 HD11 LEU 2 1HD1 LEU 2 -4.374 -8.003 11.901
15 HD12 LEU 2 2HD1 LEU 2 -5.964 -7.993 12.667
16 HD13 LEU 2 3HD1 LEU 2 -5.341 -6.528 11.907
17 HD21 LEU 2 3HD2 LEU 2 -8.051 -8.258 9.833
18 HD22 LEU 2 1HD2 LEU 2 -7.610 -6.592 10.208
19 HD23 LEU 2 2HD2 LEU 2 -7.920 -7.739 11.511
20 H TYR 3 H TYR 3 -6.503 -5.658 6.881
21 HA TYR 3 HA TYR 3 -4.686 -5.851 4.636
22 HB2 TYR 3 1HB TYR 3 -6.599 -3.679 5.523
23 HB3 TYR 3 2HB TYR 3 -5.664 -3.629 4.028
24 HD1 TYR 3 HD1 TYR 3 -5.982 -5.455 2.308
25 HD2 TYR 3 HD2 TYR 3 -8.591 -4.980 5.687
26 HE1 TYR 3 HE1 TYR 3 -7.697 -6.848 1.180
27 HE2 TYR 3 HE2 TYR 3 -10.305 -6.373 4.561
28 HH TYR 3 HH TYR 3 -10.217 -7.108 1.296
29 H GLU 4 H GLU 4 -2.804 -4.766 4.334
30 HA GLU 4 HA GLU 4 -1.630 -3.437 6.667
31 HB2 GLU 4 1HB GLU 4 -0.464 -4.327 4.022
32 HB3 GLU 4 2HB GLU 4 0.457 -3.513 5.285
33 HG2 GLU 4 1HG GLU 4 -0.072 -5.313 6.864
34 HG3 GLU 4 2HG GLU 4 -1.046 -6.122 5.637
35 H ASN 5 H ASN 5 -0.805 -1.352 6.645
36 HA ASN 5 HA ASN 5 -2.190 0.520 4.952
37 HB2 ASN 5 1HB ASN 5 -0.998 2.223 6.238
38 HB3 ASN 5 2HB ASN 5 -1.678 1.011 7.322
39 HD21 ASN 5 2HD2 ASN 5 0.412 2.427 8.389
40 HD22 ASN 5 1HD2 ASN 5 1.831 1.497 8.406
41 H LYS 6 H LYS 6 -1.201 2.043 3.528
42 HA LYS 6 HA LYS 6 0.884 0.894 1.920
43 HB2 LYS 6 1HB LYS 6 -0.690 3.461 1.791
44 HB3 LYS 6 2HB LYS 6 0.643 3.146 0.679
45 HG2 LYS 6 1HG LYS 6 -1.540 2.463 -0.286
46 HG3 LYS 6 2HG LYS 6 -0.459 1.083 -0.084
47 HD2 LYS 6 1HD LYS 6 -1.641 0.284 1.804
48 HD3 LYS 6 2HD LYS 6 -2.453 1.829 2.060
49 HE2 LYS 6 1HE LYS 6 -3.881 1.512 0.193
50 HE3 LYS 6 2HE LYS 6 -2.883 0.210 -0.456
51 HZ1 LYS 6 3HZ LYS 6 -3.455 -1.105 1.529
52 HZ2 LYS 6 1HZ LYS 6 -4.812 -0.716 0.588
53 HZ3 LYS 6 2HZ LYS 6 -4.508 0.133 2.029
54 HA PRO 7 HA PRO 7 4.152 3.270 3.873
55 HB2 PRO 7 1HB PRO 7 6.176 2.861 2.197
56 HB3 PRO 7 2HB PRO 7 5.405 1.459 2.968
57 HG2 PRO 7 1HG PRO 7 4.930 2.583 0.229
58 HG3 PRO 7 2HG PRO 7 5.244 0.899 0.703
59 HD2 PRO 7 1HD PRO 7 2.699 1.899 0.300
60 HD3 PRO 7 2HD PRO 7 3.060 0.550 1.409
61 H ARG 8 H ARG 8 5.714 4.027 0.987
62 HA ARG 8 HA ARG 8 4.822 6.801 1.105
63 HB2 ARG 8 1HB ARG 8 7.255 6.235 0.876
64 HB3 ARG 8 2HB ARG 8 6.902 5.512 -0.689
65 HG2 ARG 8 1HG ARG 8 6.081 7.687 -1.520
66 HG3 ARG 8 2HG ARG 8 6.393 8.408 0.057
67 HD2 ARG 8 1HD ARG 8 8.253 8.901 -1.445
68 HD3 ARG 8 2HD ARG 8 8.793 7.808 -0.173
69 HE ARG 8 HE ARG 8 7.921 6.305 -2.413
70 HH11 ARG 8 1HH2 ARG 8 10.453 8.413 -1.342
71 HH12 ARG 8 2HH2 ARG 8 11.661 7.698 -2.357
72 HH21 ARG 8 1HH1 ARG 8 9.496 5.374 -3.750
73 HH22 ARG 8 2HH1 ARG 8 11.118 5.981 -3.724
74 H ARG 9 H ARG 9 5.750 5.765 -1.988
75 HA ARG 9 HA ARG 9 2.982 5.977 -2.957
76 HB2 ARG 9 1HB ARG 9 5.689 6.247 -4.253
77 HB3 ARG 9 2HB ARG 9 4.248 5.966 -5.230
78 HG2 ARG 9 1HG ARG 9 3.188 7.967 -4.220
79 HG3 ARG 9 2HG ARG 9 4.654 8.258 -3.282
80 HD2 ARG 9 1HD ARG 9 4.535 8.142 -6.308
81 HD3 ARG 9 2HD ARG 9 4.560 9.629 -5.364
82 HE ARG 9 HE ARG 9 6.766 8.233 -4.504
83 HH11 ARG 9 1HH2 ARG 9 5.509 9.294 -7.546
84 HH12 ARG 9 2HH2 ARG 9 7.066 9.506 -8.275
85 HH21 ARG 9 1HH1 ARG 9 8.813 8.508 -5.449
86 HH22 ARG 9 2HH1 ARG 9 8.939 9.068 -7.083
87 HA PRO 10 HA PRO 10 3.597 1.478 -3.065
88 HB2 PRO 10 1HB PRO 10 1.008 0.697 -3.410
89 HB3 PRO 10 2HB PRO 10 1.636 1.256 -1.847
90 HG2 PRO 10 1HG PRO 10 0.020 2.741 -3.871
91 HG3 PRO 10 2HG PRO 10 -0.110 2.745 -2.103
92 HD2 PRO 10 1HD PRO 10 1.162 4.726 -3.541
93 HD3 PRO 10 2HD PRO 10 1.562 4.333 -1.853
94 H TYR 11 H TYR 11 0.779 1.432 -5.064
95 HA TYR 11 HA TYR 11 2.442 0.871 -7.454
96 HB2 TYR 11 1HB TYR 11 -0.414 0.117 -6.784
97 HB3 TYR 11 2HB TYR 11 0.397 -0.256 -8.305
98 HD1 TYR 11 HD2 TYR 11 2.449 -1.723 -8.293
99 HD2 TYR 11 HD1 TYR 11 -0.016 -1.175 -4.819
100 HE1 TYR 11 HE2 TYR 11 3.446 -3.748 -7.264
101 HE2 TYR 11 HE1 TYR 11 0.979 -3.202 -3.791
102 HH TYR 11 HH TYR 11 2.399 -4.875 -4.042
103 H ILE 12 H ILE 12 2.470 2.343 -9.028
104 HA ILE 12 HA ILE 12 0.104 4.000 -9.551
105 HB ILE 12 HB ILE 12 1.509 5.282 -7.945
106 HG12 ILE 12 1HG1 ILE 12 1.641 6.481 -10.723
107 HG13 ILE 12 2HG1 ILE 12 0.133 6.334 -9.821
108 HG21 ILE 12 1HG2 ILE 12 3.671 4.245 -8.796
109 HG22 ILE 12 2HG2 ILE 12 3.722 5.989 -8.542
110 HG23 ILE 12 3HG2 ILE 12 3.557 5.339 -10.174
111 HD11 ILE 12 3HD1 ILE 12 1.384 8.566 -9.601
112 HD12 ILE 12 1HD1 ILE 12 2.571 7.678 -8.645
113 HD13 ILE 12 2HD1 ILE 12 0.897 7.782 -8.098
114 H LEU 13 H LEU 13 -0.090 4.631 -11.662
115 HA LEU 13 HA LEU 13 2.133 4.125 -13.520
116 HB2 LEU 13 1HB LEU 13 0.862 2.041 -13.536
117 HB3 LEU 13 2HB LEU 13 -0.639 2.928 -13.792
118 HG LEU 13 HG LEU 13 0.143 3.699 -15.979
119 HD11 LEU 13 1HD1 LEU 13 2.334 2.534 -16.813
120 HD12 LEU 13 2HD1 LEU 13 2.708 2.377 -15.097
121 HD13 LEU 13 3HD1 LEU 13 2.473 3.974 -15.809
122 HD21 LEU 13 3HD2 LEU 13 0.398 1.413 -17.072
123 HD22 LEU 13 1HD2 LEU 13 -1.002 1.594 -16.016
124 HD23 LEU 13 2HD2 LEU 13 0.427 0.732 -15.444
Start of MODEL 11
1 H1 GLU 1 1H GLU 1 -2.675 -9.260 5.429
2 H2 GLU 1 2H GLU 1 -2.981 -7.654 5.894
3 H3 GLU 1 3H GLU 1 -1.588 -8.031 4.996
4 HA GLU 1 HA GLU 1 -2.649 -7.826 3.084
5 HB2 GLU 1 1HB GLU 1 -3.454 -10.139 3.445
6 HB3 GLU 1 2HB GLU 1 -4.850 -9.512 4.317
7 HG2 GLU 1 1HG GLU 1 -5.576 -8.294 2.305
8 HG3 GLU 1 2HG GLU 1 -4.161 -8.876 1.432
9 H LEU 2 H LEU 2 -5.813 -8.047 4.542
10 HA LEU 2 HA LEU 2 -6.574 -5.463 3.697
11 HB2 LEU 2 1HB LEU 2 -7.786 -7.356 5.719
12 HB3 LEU 2 2HB LEU 2 -8.560 -5.859 5.215
13 HG LEU 2 HG LEU 2 -7.687 -8.009 3.262
14 HD11 LEU 2 1HD1 LEU 2 -9.348 -8.937 4.821
15 HD12 LEU 2 2HD1 LEU 2 -10.062 -8.708 3.225
16 HD13 LEU 2 3HD1 LEU 2 -10.413 -7.564 4.520
17 HD21 LEU 2 3HD2 LEU 2 -8.025 -6.046 2.014
18 HD22 LEU 2 1HD2 LEU 2 -9.301 -5.461 3.079
19 HD23 LEU 2 2HD2 LEU 2 -9.623 -6.778 1.954
20 H TYR 3 H TYR 3 -5.572 -6.725 6.857
21 HA TYR 3 HA TYR 3 -5.968 -4.318 8.301
22 HB2 TYR 3 1HB TYR 3 -4.164 -6.691 8.808
23 HB3 TYR 3 2HB TYR 3 -4.387 -5.368 9.952
24 HD1 TYR 3 HD1 TYR 3 -6.679 -4.884 10.866
25 HD2 TYR 3 HD2 TYR 3 -5.821 -8.395 8.543
26 HE1 TYR 3 HE1 TYR 3 -8.765 -5.938 11.692
27 HE2 TYR 3 HE2 TYR 3 -7.909 -9.450 9.371
28 HH TYR 3 HH TYR 3 -9.994 -8.888 10.337
29 H GLU 4 H GLU 4 -3.186 -5.659 6.575
30 HA GLU 4 HA GLU 4 -1.298 -3.712 7.383
31 HB2 GLU 4 1HB GLU 4 -0.719 -5.895 6.338
32 HB3 GLU 4 2HB GLU 4 -1.363 -5.302 4.808
33 HG2 GLU 4 1HG GLU 4 0.273 -3.467 4.805
34 HG3 GLU 4 2HG GLU 4 0.902 -4.015 6.359
35 H ASN 5 H ASN 5 -0.909 -1.695 6.715
36 HA ASN 5 HA ASN 5 -2.617 -0.561 4.583
37 HB2 ASN 5 1HB ASN 5 -1.092 0.691 6.872
38 HB3 ASN 5 2HB ASN 5 -1.845 1.633 5.586
39 HD21 ASN 5 2HD2 ASN 5 -2.724 1.898 8.286
40 HD22 ASN 5 1HD2 ASN 5 -4.293 1.263 8.407
41 H LYS 6 H LYS 6 -1.743 0.487 2.829
42 HA LYS 6 HA LYS 6 0.681 -0.344 1.787
43 HB2 LYS 6 1HB LYS 6 -0.273 2.402 1.043
44 HB3 LYS 6 2HB LYS 6 0.233 1.071 0.002
45 HG2 LYS 6 1HG LYS 6 -1.891 -0.145 0.795
46 HG3 LYS 6 2HG LYS 6 -2.409 1.419 1.425
47 HD2 LYS 6 1HD LYS 6 -2.155 2.409 -0.825
48 HD3 LYS 6 2HD LYS 6 -1.646 0.842 -1.454
49 HE2 LYS 6 1HE LYS 6 -4.302 1.283 -0.069
50 HE3 LYS 6 2HE LYS 6 -4.096 1.389 -1.817
51 HZ1 LYS 6 3HZ LYS 6 -3.945 -0.820 -2.005
52 HZ2 LYS 6 1HZ LYS 6 -4.636 -0.874 -0.456
53 HZ3 LYS 6 2HZ LYS 6 -2.950 -0.976 -0.635
54 HA PRO 7 HA PRO 7 3.524 2.451 3.838
55 HB2 PRO 7 1HB PRO 7 5.705 2.251 2.335
56 HB3 PRO 7 2HB PRO 7 5.005 0.770 3.026
57 HG2 PRO 7 1HG PRO 7 4.749 1.852 0.247
58 HG3 PRO 7 2HG PRO 7 5.042 0.184 0.779
59 HD2 PRO 7 1HD PRO 7 2.524 1.247 0.105
60 HD3 PRO 7 2HD PRO 7 2.792 -0.233 1.063
61 H ARG 8 H ARG 8 5.198 3.346 1.054
62 HA ARG 8 HA ARG 8 4.070 6.026 1.079
63 HB2 ARG 8 1HB ARG 8 6.427 4.760 -0.323
64 HB3 ARG 8 2HB ARG 8 5.871 6.383 -0.721
65 HG2 ARG 8 1HG ARG 8 6.169 7.078 1.613
66 HG3 ARG 8 2HG ARG 8 6.715 5.453 2.034
67 HD2 ARG 8 1HD ARG 8 8.045 7.156 -0.080
68 HD3 ARG 8 2HD ARG 8 8.573 7.123 1.600
69 HE ARG 8 HE ARG 8 8.455 4.471 0.678
70 HH11 ARG 8 1HH2 ARG 8 10.152 7.428 0.099
71 HH12 ARG 8 2HH2 ARG 8 11.618 6.653 -0.400
72 HH21 ARG 8 1HH1 ARG 8 10.377 3.443 0.023
73 HH22 ARG 8 2HH1 ARG 8 11.744 4.396 -0.447
74 H ARG 9 H ARG 9 4.417 6.622 -1.681
75 HA ARG 9 HA ARG 9 1.948 5.734 -2.693
76 HB2 ARG 9 1HB ARG 9 4.352 6.860 -4.155
77 HB3 ARG 9 2HB ARG 9 2.737 6.706 -4.840
78 HG2 ARG 9 1HG ARG 9 2.130 8.703 -3.923
79 HG3 ARG 9 2HG ARG 9 2.475 8.087 -2.311
80 HD2 ARG 9 1HD ARG 9 4.340 9.551 -4.187
81 HD3 ARG 9 2HD ARG 9 3.843 10.010 -2.562
82 HE ARG 9 HE ARG 9 5.170 7.533 -2.413
83 HH11 ARG 9 1HH2 ARG 9 5.743 10.855 -3.191
84 HH12 ARG 9 2HH2 ARG 9 7.398 10.834 -2.678
85 HH21 ARG 9 1HH1 ARG 9 7.343 7.496 -1.747
86 HH22 ARG 9 2HH1 ARG 9 8.303 8.933 -1.864
87 HA PRO 10 HA PRO 10 3.726 1.708 -3.714
88 HB2 PRO 10 1HB PRO 10 1.474 0.438 -4.594
89 HB3 PRO 10 2HB PRO 10 1.795 0.745 -2.873
90 HG2 PRO 10 1HG PRO 10 0.051 2.262 -4.767
91 HG3 PRO 10 2HG PRO 10 -0.258 1.790 -3.086
92 HD2 PRO 10 1HD PRO 10 0.563 4.304 -3.793
93 HD3 PRO 10 2HD PRO 10 0.958 3.573 -2.221
94 H TYR 11 H TYR 11 4.080 0.380 -5.630
95 HA TYR 11 HA TYR 11 4.881 1.681 -7.879
96 HB2 TYR 11 1HB TYR 11 5.372 -0.690 -7.397
97 HB3 TYR 11 2HB TYR 11 3.711 -1.109 -7.812
98 HD1 TYR 11 HD2 TYR 11 6.899 0.250 -9.144
99 HD2 TYR 11 HD1 TYR 11 2.983 -1.240 -10.092
100 HE1 TYR 11 HE2 TYR 11 7.522 0.138 -11.543
101 HE2 TYR 11 HE1 TYR 11 3.605 -1.353 -12.490
102 HH TYR 11 HH TYR 11 6.900 -0.566 -13.571
103 H ILE 12 H ILE 12 1.624 1.119 -6.954
104 HA ILE 12 HA ILE 12 0.473 1.190 -9.584
105 HB ILE 12 HB ILE 12 -0.792 1.812 -6.905
106 HG12 ILE 12 1HG1 ILE 12 0.114 -0.456 -6.922
107 HG13 ILE 12 2HG1 ILE 12 -1.640 -0.531 -7.055
108 HG21 ILE 12 1HG2 ILE 12 -2.897 1.190 -8.149
109 HG22 ILE 12 2HG2 ILE 12 -1.953 1.226 -9.637
110 HG23 ILE 12 3HG2 ILE 12 -2.149 2.694 -8.681
111 HD11 ILE 12 3HD1 ILE 12 0.443 -1.101 -9.144
112 HD12 ILE 12 1HD1 ILE 12 -1.157 -0.563 -9.651
113 HD13 ILE 12 2HD1 ILE 12 -0.982 -2.040 -8.708
114 H LEU 13 H LEU 13 0.021 2.888 -10.827
115 HA LEU 13 HA LEU 13 0.106 5.614 -9.653
116 HB2 LEU 13 1HB LEU 13 1.231 4.743 -12.327
117 HB3 LEU 13 2HB LEU 13 1.236 6.384 -11.689
118 HG LEU 13 HG LEU 13 2.590 4.022 -10.348
119 HD11 LEU 13 1HD1 LEU 13 3.689 4.545 -12.469
120 HD12 LEU 13 2HD1 LEU 13 4.693 5.109 -11.134
121 HD13 LEU 13 3HD1 LEU 13 3.723 6.258 -12.057
122 HD21 LEU 13 3HD2 LEU 13 3.793 6.053 -9.210
123 HD22 LEU 13 1HD2 LEU 13 2.180 5.615 -8.654
124 HD23 LEU 13 2HD2 LEU 13 2.394 6.979 -9.749
Start of MODEL 12
1 H1 GLU 1 1H GLU 1 -4.331 -12.747 9.192
2 H2 GLU 1 2H GLU 1 -4.860 -11.397 10.073
3 H3 GLU 1 3H GLU 1 -3.531 -11.262 9.025
4 HA GLU 1 HA GLU 1 -4.854 -11.461 7.117
5 HB2 GLU 1 1HB GLU 1 -7.230 -12.052 7.238
6 HB3 GLU 1 2HB GLU 1 -6.258 -13.301 8.012
7 HG2 GLU 1 1HG GLU 1 -6.728 -12.268 10.226
8 HG3 GLU 1 2HG GLU 1 -7.757 -11.078 9.433
9 H LEU 2 H LEU 2 -4.005 -9.420 8.967
10 HA LEU 2 HA LEU 2 -6.172 -7.551 9.329
11 HB2 LEU 2 1HB LEU 2 -4.362 -5.998 10.038
12 HB3 LEU 2 2HB LEU 2 -4.336 -7.532 10.900
13 HG LEU 2 HG LEU 2 -2.672 -8.168 8.829
14 HD11 LEU 2 1HD1 LEU 2 -2.687 -5.987 7.768
15 HD12 LEU 2 2HD1 LEU 2 -1.117 -6.211 8.529
16 HD13 LEU 2 3HD1 LEU 2 -2.328 -5.189 9.298
17 HD21 LEU 2 3HD2 LEU 2 -1.932 -6.736 11.401
18 HD22 LEU 2 1HD2 LEU 2 -0.780 -7.591 10.376
19 HD23 LEU 2 2HD2 LEU 2 -2.083 -8.479 11.163
20 H TYR 3 H TYR 3 -6.328 -5.478 8.300
21 HA TYR 3 HA TYR 3 -6.012 -5.598 5.472
22 HB2 TYR 3 1HB TYR 3 -7.821 -4.310 6.508
23 HB3 TYR 3 2HB TYR 3 -6.641 -3.239 7.266
24 HD1 TYR 3 HD2 TYR 3 -7.771 -4.510 3.933
25 HD2 TYR 3 HD1 TYR 3 -5.826 -1.352 6.100
26 HE1 TYR 3 HE2 TYR 3 -7.702 -3.138 1.870
27 HE2 TYR 3 HE1 TYR 3 -5.757 0.021 4.034
28 HH TYR 3 HH TYR 3 -6.515 -1.294 0.929
29 H GLU 4 H GLU 4 -4.400 -4.890 4.185
30 HA GLU 4 HA GLU 4 -1.939 -3.961 5.445
31 HB2 GLU 4 1HB GLU 4 -1.942 -5.717 3.663
32 HB3 GLU 4 2HB GLU 4 -2.510 -4.498 2.522
33 HG2 GLU 4 1HG GLU 4 -0.508 -3.133 2.964
34 HG3 GLU 4 2HG GLU 4 0.063 -4.338 4.117
35 H ASN 5 H ASN 5 -1.279 -1.918 5.512
36 HA ASN 5 HA ASN 5 -2.832 0.147 4.090
37 HB2 ASN 5 1HB ASN 5 -2.475 0.338 6.559
38 HB3 ASN 5 2HB ASN 5 -0.743 0.474 6.257
39 HD21 ASN 5 2HD2 ASN 5 -0.667 2.697 7.046
40 HD22 ASN 5 1HD2 ASN 5 -1.347 3.971 6.157
41 H LYS 6 H LYS 6 -2.005 1.205 2.380
42 HA LYS 6 HA LYS 6 0.214 0.425 0.985
43 HB2 LYS 6 1HB LYS 6 -0.445 3.354 0.976
44 HB3 LYS 6 2HB LYS 6 -0.111 2.278 -0.382
45 HG2 LYS 6 1HG LYS 6 -2.329 1.081 0.325
46 HG3 LYS 6 2HG LYS 6 -2.655 2.572 1.210
47 HD2 LYS 6 1HD LYS 6 -2.038 2.397 -1.757
48 HD3 LYS 6 2HD LYS 6 -3.642 2.624 -1.063
49 HE2 LYS 6 1HE LYS 6 -2.772 4.709 0.062
50 HE3 LYS 6 2HE LYS 6 -1.283 4.514 -0.863
51 HZ1 LYS 6 3HZ LYS 6 -3.690 4.340 -2.439
52 HZ2 LYS 6 1HZ LYS 6 -2.258 5.203 -2.732
53 HZ3 LYS 6 2HZ LYS 6 -3.450 5.857 -1.713
54 HA PRO 7 HA PRO 7 3.563 2.268 3.308
55 HB2 PRO 7 1HB PRO 7 5.610 1.914 1.663
56 HB3 PRO 7 2HB PRO 7 4.669 0.491 2.157
57 HG2 PRO 7 1HG PRO 7 4.469 2.082 -0.376
58 HG3 PRO 7 2HG PRO 7 4.558 0.318 -0.171
59 HD2 PRO 7 1HD PRO 7 2.172 1.728 -0.479
60 HD3 PRO 7 2HD PRO 7 2.305 0.135 0.311
61 H ARG 8 H ARG 8 5.352 3.315 0.697
62 HA ARG 8 HA ARG 8 4.595 6.096 1.130
63 HB2 ARG 8 1HB ARG 8 6.546 6.458 -0.540
64 HB3 ARG 8 2HB ARG 8 6.945 5.867 1.070
65 HG2 ARG 8 1HG ARG 8 7.015 3.556 0.221
66 HG3 ARG 8 2HG ARG 8 6.591 4.123 -1.393
67 HD2 ARG 8 1HD ARG 8 8.650 5.501 -1.429
68 HD3 ARG 8 2HD ARG 8 9.068 4.896 0.169
69 HE ARG 8 HE ARG 8 9.616 2.817 -0.784
70 HH11 ARG 8 1HH2 ARG 8 8.203 4.990 -3.085
71 HH12 ARG 8 2HH2 ARG 8 8.667 4.048 -4.460
72 HH21 ARG 8 1HH1 ARG 8 10.210 1.574 -2.588
73 HH22 ARG 8 2HH1 ARG 8 9.800 2.116 -4.180
74 H ARG 9 H ARG 9 5.795 5.622 -1.958
75 HA ARG 9 HA ARG 9 3.186 6.182 -3.134
76 HB2 ARG 9 1HB ARG 9 5.994 6.109 -4.252
77 HB3 ARG 9 2HB ARG 9 4.565 6.373 -5.252
78 HG2 ARG 9 1HG ARG 9 3.972 8.353 -3.954
79 HG3 ARG 9 2HG ARG 9 5.322 8.066 -2.855
80 HD2 ARG 9 1HD ARG 9 6.924 8.428 -4.635
81 HD3 ARG 9 2HD ARG 9 5.639 8.521 -5.834
82 HE ARG 9 HE ARG 9 5.095 10.501 -3.960
83 HH11 ARG 9 1HH2 ARG 9 7.628 9.625 -6.149
84 HH12 ARG 9 2HH2 ARG 9 8.163 11.253 -6.399
85 HH21 ARG 9 1HH1 ARG 9 5.789 12.638 -4.283
86 HH22 ARG 9 2HH1 ARG 9 7.120 12.961 -5.344
87 HA PRO 10 HA PRO 10 3.150 1.697 -3.788
88 HB2 PRO 10 1HB PRO 10 0.569 1.423 -4.667
89 HB3 PRO 10 2HB PRO 10 0.994 1.628 -2.956
90 HG2 PRO 10 1HG PRO 10 -0.047 3.635 -4.900
91 HG3 PRO 10 2HG PRO 10 -0.425 3.431 -3.182
92 HD2 PRO 10 1HD PRO 10 1.326 5.336 -4.158
93 HD3 PRO 10 2HD PRO 10 1.399 4.688 -2.502
94 H TYR 11 H TYR 11 1.919 0.382 -5.813
95 HA TYR 11 HA TYR 11 3.525 1.025 -8.072
96 HB2 TYR 11 1HB TYR 11 2.144 -0.804 -9.181
97 HB3 TYR 11 2HB TYR 11 3.031 -1.275 -7.731
98 HD1 TYR 11 HD1 TYR 11 1.806 -1.355 -5.506
99 HD2 TYR 11 HD2 TYR 11 -0.233 -0.941 -9.269
100 HE1 TYR 11 HE1 TYR 11 -0.315 -2.059 -4.438
101 HE2 TYR 11 HE2 TYR 11 -2.352 -1.646 -8.196
102 HH TYR 11 HH TYR 11 -3.146 -1.501 -5.426
103 H ILE 12 H ILE 12 2.713 3.299 -8.214
104 HA ILE 12 HA ILE 12 0.420 3.430 -10.088
105 HB ILE 12 HB ILE 12 -0.256 5.559 -9.062
106 HG12 ILE 12 1HG1 ILE 12 1.779 4.910 -6.904
107 HG13 ILE 12 2HG1 ILE 12 2.040 6.127 -8.151
108 HG21 ILE 12 1HG2 ILE 12 -1.072 4.572 -6.892
109 HG22 ILE 12 2HG2 ILE 12 -0.025 3.186 -7.194
110 HG23 ILE 12 3HG2 ILE 12 -1.354 3.542 -8.294
111 HD11 ILE 12 3HD1 ILE 12 0.037 7.343 -7.401
112 HD12 ILE 12 1HD1 ILE 12 1.182 7.150 -6.074
113 HD13 ILE 12 2HD1 ILE 12 -0.247 6.120 -6.163
114 H LEU 13 H LEU 13 0.477 5.294 -11.520
115 HA LEU 13 HA LEU 13 2.920 6.820 -11.738
116 HB2 LEU 13 1HB LEU 13 3.640 4.713 -12.755
117 HB3 LEU 13 2HB LEU 13 2.241 4.732 -13.823
118 HG LEU 13 HG LEU 13 3.052 6.798 -14.884
119 HD11 LEU 13 1HD1 LEU 13 5.173 6.584 -12.749
120 HD12 LEU 13 2HD1 LEU 13 4.227 7.992 -13.231
121 HD13 LEU 13 3HD1 LEU 13 5.521 7.405 -14.270
122 HD21 LEU 13 3HD2 LEU 13 5.177 4.641 -14.683
123 HD22 LEU 13 1HD2 LEU 13 5.054 5.839 -15.972
124 HD23 LEU 13 2HD2 LEU 13 3.793 4.623 -15.776
Start of MODEL 13
1 H1 GLU 1 1H GLU 1 -5.688 -7.836 5.928
2 H2 GLU 1 2H GLU 1 -6.515 -8.190 4.487
3 H3 GLU 1 3H GLU 1 -7.338 -8.221 5.972
4 HA GLU 1 HA GLU 1 -6.736 -6.003 4.252
5 HB2 GLU 1 1HB GLU 1 -8.995 -6.900 5.155
6 HB3 GLU 1 2HB GLU 1 -8.561 -6.082 6.655
7 HG2 GLU 1 1HG GLU 1 -8.654 -4.725 3.943
8 HG3 GLU 1 2HG GLU 1 -9.962 -4.674 5.123
9 H LEU 2 H LEU 2 -7.014 -6.262 7.786
10 HA LEU 2 HA LEU 2 -5.655 -3.846 8.321
11 HB2 LEU 2 1HB LEU 2 -6.180 -6.283 10.029
12 HB3 LEU 2 2HB LEU 2 -5.528 -4.771 10.656
13 HG LEU 2 HG LEU 2 -8.122 -4.928 9.096
14 HD11 LEU 2 1HD1 LEU 2 -7.725 -4.940 12.109
15 HD12 LEU 2 2HD1 LEU 2 -8.277 -6.310 11.146
16 HD13 LEU 2 3HD1 LEU 2 -9.277 -4.864 11.274
17 HD21 LEU 2 3HD2 LEU 2 -6.700 -2.799 10.704
18 HD22 LEU 2 1HD2 LEU 2 -8.455 -2.758 10.561
19 HD23 LEU 2 2HD2 LEU 2 -7.456 -2.672 9.117
20 H TYR 3 H TYR 3 -4.564 -7.217 8.238
21 HA TYR 3 HA TYR 3 -1.937 -6.771 9.163
22 HB2 TYR 3 1HB TYR 3 -3.085 -8.902 7.350
23 HB3 TYR 3 2HB TYR 3 -1.429 -8.927 7.957
24 HD1 TYR 3 HD1 TYR 3 -0.960 -9.224 10.348
25 HD2 TYR 3 HD2 TYR 3 -4.981 -9.275 8.835
26 HE1 TYR 3 HE1 TYR 3 -1.752 -10.206 12.483
27 HE2 TYR 3 HE2 TYR 3 -5.771 -10.259 10.971
28 HH TYR 3 HH TYR 3 -3.843 -10.354 13.773
29 H GLU 4 H GLU 4 -3.318 -6.778 5.894
30 HA GLU 4 HA GLU 4 -0.751 -6.040 4.705
31 HB2 GLU 4 1HB GLU 4 -3.497 -6.528 3.532
32 HB3 GLU 4 2HB GLU 4 -2.089 -6.063 2.577
33 HG2 GLU 4 1HG GLU 4 -0.888 -8.059 3.306
34 HG3 GLU 4 2HG GLU 4 -2.223 -8.507 4.366
35 H ASN 5 H ASN 5 -0.122 -4.002 4.455
36 HA ASN 5 HA ASN 5 -2.125 -1.873 4.068
37 HB2 ASN 5 1HB ASN 5 -1.404 -2.074 6.521
38 HB3 ASN 5 2HB ASN 5 0.181 -1.525 5.982
39 HD21 ASN 5 2HD2 ASN 5 0.129 0.590 6.913
40 HD22 ASN 5 1HD2 ASN 5 -0.999 1.770 6.452
41 H LYS 6 H LYS 6 -1.569 -0.573 2.444
42 HA LYS 6 HA LYS 6 0.777 -0.984 0.927
43 HB2 LYS 6 1HB LYS 6 -0.367 1.685 0.498
44 HB3 LYS 6 2HB LYS 6 -0.335 0.301 -0.597
45 HG2 LYS 6 1HG LYS 6 -2.278 -0.668 0.678
46 HG3 LYS 6 2HG LYS 6 -2.364 0.841 1.586
47 HD2 LYS 6 1HD LYS 6 -2.515 2.031 -0.672
48 HD3 LYS 6 2HD LYS 6 -2.779 0.438 -1.383
49 HE2 LYS 6 1HE LYS 6 -4.657 0.156 0.350
50 HE3 LYS 6 2HE LYS 6 -4.506 1.892 0.624
51 HZ1 LYS 6 3HZ LYS 6 -5.011 2.326 -1.641
52 HZ2 LYS 6 1HZ LYS 6 -6.195 1.259 -1.063
53 HZ3 LYS 6 2HZ LYS 6 -4.939 0.678 -2.048
54 HA PRO 7 HA PRO 7 3.493 1.965 2.901
55 HB2 PRO 7 1HB PRO 7 5.178 2.604 0.973
56 HB3 PRO 7 2HB PRO 7 4.875 0.876 1.257
57 HG2 PRO 7 1HG PRO 7 3.639 2.681 -0.791
58 HG3 PRO 7 2HG PRO 7 4.385 1.080 -1.023
59 HD2 PRO 7 1HD PRO 7 1.650 1.488 -0.678
60 HD3 PRO 7 2HD PRO 7 2.482 -0.043 -0.311
61 H ARG 8 H ARG 8 4.607 4.189 1.058
62 HA ARG 8 HA ARG 8 2.539 6.141 1.651
63 HB2 ARG 8 1HB ARG 8 4.969 6.659 2.014
64 HB3 ARG 8 2HB ARG 8 5.207 6.556 0.270
65 HG2 ARG 8 1HG ARG 8 3.489 8.342 -0.032
66 HG3 ARG 8 2HG ARG 8 3.380 8.491 1.722
67 HD2 ARG 8 1HD ARG 8 5.936 8.848 0.134
68 HD3 ARG 8 2HD ARG 8 4.914 10.175 0.682
69 HE ARG 8 HE ARG 8 6.757 8.664 2.289
70 HH11 ARG 8 1HH2 ARG 8 3.762 10.398 2.260
71 HH12 ARG 8 2HH2 ARG 8 3.839 10.833 3.935
72 HH21 ARG 8 1HH1 ARG 8 6.865 9.232 4.485
73 HH22 ARG 8 2HH1 ARG 8 5.595 10.173 5.194
74 H ARG 9 H ARG 9 4.539 5.818 -1.233
75 HA ARG 9 HA ARG 9 2.165 6.195 -2.947
76 HB2 ARG 9 1HB ARG 9 5.133 6.537 -3.400
77 HB3 ARG 9 2HB ARG 9 3.975 6.508 -4.729
78 HG2 ARG 9 1HG ARG 9 2.855 8.454 -3.939
79 HG3 ARG 9 2HG ARG 9 3.647 8.362 -2.365
80 HD2 ARG 9 1HD ARG 9 5.001 8.959 -5.009
81 HD3 ARG 9 2HD ARG 9 4.686 10.117 -3.721
82 HE ARG 9 HE ARG 9 6.219 7.876 -2.792
83 HH11 ARG 9 1HH2 ARG 9 6.331 10.870 -4.523
84 HH12 ARG 9 2HH2 ARG 9 8.000 11.168 -4.174
85 HH21 ARG 9 1HH1 ARG 9 8.409 8.262 -2.328
86 HH22 ARG 9 2HH1 ARG 9 9.176 9.693 -2.929
87 HA PRO 10 HA PRO 10 2.716 1.643 -3.160
88 HB2 PRO 10 1HB PRO 10 0.510 1.960 -5.174
89 HB3 PRO 10 2HB PRO 10 0.650 0.810 -3.828
90 HG2 PRO 10 1HG PRO 10 -0.972 2.917 -3.676
91 HG3 PRO 10 2HG PRO 10 -0.062 2.349 -2.263
92 HD2 PRO 10 1HD PRO 10 0.445 4.746 -3.993
93 HD3 PRO 10 2HD PRO 10 0.714 4.528 -2.252
94 H TYR 11 H TYR 11 2.272 3.824 -5.898
95 HA TYR 11 HA TYR 11 3.856 4.172 -7.621
96 HB2 TYR 11 1HB TYR 11 5.394 2.402 -6.584
97 HB3 TYR 11 2HB TYR 11 4.530 1.227 -7.578
98 HD1 TYR 11 HD2 TYR 11 6.465 4.415 -7.748
99 HD2 TYR 11 HD1 TYR 11 5.043 0.961 -9.871
100 HE1 TYR 11 HE2 TYR 11 7.849 5.047 -9.706
101 HE2 TYR 11 HE1 TYR 11 6.425 1.595 -11.829
102 HH TYR 11 HH TYR 11 8.627 3.008 -12.142
103 H ILE 12 H ILE 12 1.078 3.638 -7.621
104 HA ILE 12 HA ILE 12 0.316 1.695 -9.534
105 HB ILE 12 HB ILE 12 -1.071 4.312 -8.909
106 HG12 ILE 12 1HG1 ILE 12 -0.655 3.129 -6.826
107 HG13 ILE 12 2HG1 ILE 12 -2.354 2.946 -7.247
108 HG21 ILE 12 1HG2 ILE 12 -3.097 3.043 -9.567
109 HG22 ILE 12 2HG2 ILE 12 -2.081 1.661 -9.977
110 HG23 ILE 12 3HG2 ILE 12 -1.938 3.163 -10.890
111 HD11 ILE 12 3HD1 ILE 12 -1.568 0.729 -8.410
112 HD12 ILE 12 1HD1 ILE 12 -1.745 0.762 -6.657
113 HD13 ILE 12 2HD1 ILE 12 -0.146 0.905 -7.384
114 H LEU 13 H LEU 13 1.083 5.150 -9.821
115 HA LEU 13 HA LEU 13 0.510 5.472 -12.543
116 HB2 LEU 13 1HB LEU 13 2.420 6.842 -10.655
117 HB3 LEU 13 2HB LEU 13 2.361 7.293 -12.359
118 HG LEU 13 HG LEU 13 -0.072 7.719 -12.149
119 HD11 LEU 13 1HD1 LEU 13 0.474 6.884 -9.296
120 HD12 LEU 13 2HD1 LEU 13 -0.759 6.270 -10.398
121 HD13 LEU 13 3HD1 LEU 13 -0.913 7.889 -9.717
122 HD21 LEU 13 3HD2 LEU 13 0.120 9.794 -10.919
123 HD22 LEU 13 1HD2 LEU 13 1.660 9.510 -11.729
124 HD23 LEU 13 2HD2 LEU 13 1.496 9.180 -10.004
Start of MODEL 14
1 H1 GLU 1 1H GLU 1 -8.633 -6.788 6.242
2 H2 GLU 1 2H GLU 1 -8.811 -7.412 4.672
3 H3 GLU 1 3H GLU 1 -9.523 -5.926 5.086
4 HA GLU 1 HA GLU 1 -7.431 -5.778 3.733
5 HB2 GLU 1 1HB GLU 1 -8.367 -3.904 5.081
6 HB3 GLU 1 2HB GLU 1 -7.435 -4.468 6.469
7 HG2 GLU 1 1HG GLU 1 -5.348 -4.148 5.224
8 HG3 GLU 1 2HG GLU 1 -6.256 -3.633 3.805
9 H LEU 2 H LEU 2 -6.409 -7.902 3.800
10 HA LEU 2 HA LEU 2 -4.888 -8.847 5.981
11 HB2 LEU 2 1HB LEU 2 -4.653 -9.348 3.009
12 HB3 LEU 2 2HB LEU 2 -3.716 -10.218 4.219
13 HG LEU 2 HG LEU 2 -6.746 -10.090 4.207
14 HD11 LEU 2 1HD1 LEU 2 -5.877 -11.231 2.189
15 HD12 LEU 2 2HD1 LEU 2 -6.675 -12.364 3.280
16 HD13 LEU 2 3HD1 LEU 2 -4.914 -12.294 3.214
17 HD21 LEU 2 3HD2 LEU 2 -6.217 -12.291 5.613
18 HD22 LEU 2 1HD2 LEU 2 -6.184 -10.711 6.385
19 HD23 LEU 2 2HD2 LEU 2 -4.677 -11.485 5.897
20 H TYR 3 H TYR 3 -4.020 -6.806 3.213
21 HA TYR 3 HA TYR 3 -1.235 -6.709 3.810
22 HB2 TYR 3 1HB TYR 3 -3.003 -4.887 2.167
23 HB3 TYR 3 2HB TYR 3 -1.247 -4.745 2.253
24 HD1 TYR 3 HD1 TYR 3 0.202 -6.622 1.456
25 HD2 TYR 3 HD2 TYR 3 -4.055 -6.618 0.878
26 HE1 TYR 3 HE1 TYR 3 0.432 -8.394 -0.263
27 HE2 TYR 3 HE2 TYR 3 -3.824 -8.390 -0.840
28 HH TYR 3 HH TYR 3 -0.688 -9.400 -2.026
29 H GLU 4 H GLU 4 -0.049 -5.280 4.978
30 HA GLU 4 HA GLU 4 -1.275 -3.927 7.141
31 HB2 GLU 4 1HB GLU 4 0.985 -3.036 7.584
32 HB3 GLU 4 2HB GLU 4 1.017 -4.772 7.272
33 HG2 GLU 4 1HG GLU 4 1.655 -4.337 4.925
34 HG3 GLU 4 2HG GLU 4 1.646 -2.604 5.246
35 H ASN 5 H ASN 5 0.029 -1.499 7.330
36 HA ASN 5 HA ASN 5 -1.707 0.193 5.832
37 HB2 ASN 5 1HB ASN 5 0.724 0.815 7.522
38 HB3 ASN 5 2HB ASN 5 -0.368 2.031 6.861
39 HD21 ASN 5 2HD2 ASN 5 0.202 0.208 9.621
40 HD22 ASN 5 1HD2 ASN 5 -1.356 0.260 10.293
41 H LYS 6 H LYS 6 -1.303 1.507 4.093
42 HA LYS 6 HA LYS 6 0.589 0.665 2.184
43 HB2 LYS 6 1HB LYS 6 -1.182 3.084 2.456
44 HB3 LYS 6 2HB LYS 6 -0.020 2.988 1.135
45 HG2 LYS 6 1HG LYS 6 -2.293 2.113 0.527
46 HG3 LYS 6 2HG LYS 6 -1.016 0.912 0.346
47 HD2 LYS 6 1HD LYS 6 -1.630 -0.192 2.367
48 HD3 LYS 6 2HD LYS 6 -2.655 1.150 2.874
49 HE2 LYS 6 1HE LYS 6 -3.948 -0.804 1.969
50 HE3 LYS 6 2HE LYS 6 -4.231 0.696 1.087
51 HZ1 LYS 6 3HZ LYS 6 -2.325 -1.434 0.287
52 HZ2 LYS 6 1HZ LYS 6 -2.630 -0.002 -0.569
53 HZ3 LYS 6 2HZ LYS 6 -3.853 -1.171 -0.406
54 HA PRO 7 HA PRO 7 4.050 3.197 3.466
55 HB2 PRO 7 1HB PRO 7 5.671 2.969 1.385
56 HB3 PRO 7 2HB PRO 7 5.094 1.479 2.160
57 HG2 PRO 7 1HG PRO 7 3.999 2.855 -0.268
58 HG3 PRO 7 2HG PRO 7 4.487 1.152 -0.083
59 HD2 PRO 7 1HD PRO 7 1.880 1.998 0.216
60 HD3 PRO 7 2HD PRO 7 2.550 0.585 1.071
61 H ARG 8 H ARG 8 5.209 4.419 0.696
62 HA ARG 8 HA ARG 8 3.832 6.962 1.027
63 HB2 ARG 8 1HB ARG 8 5.617 7.263 -1.120
64 HB3 ARG 8 2HB ARG 8 5.932 7.715 0.548
65 HG2 ARG 8 1HG ARG 8 7.747 6.324 -0.149
66 HG3 ARG 8 2HG ARG 8 6.765 5.341 0.929
67 HD2 ARG 8 1HD ARG 8 5.633 4.354 -1.061
68 HD3 ARG 8 2HD ARG 8 6.691 5.302 -2.103
69 HE ARG 8 HE ARG 8 7.426 2.935 -0.573
70 HH11 ARG 8 1HH2 ARG 8 8.432 5.767 -2.286
71 HH12 ARG 8 2HH2 ARG 8 10.028 5.178 -2.608
72 HH21 ARG 8 1HH1 ARG 8 9.523 2.149 -0.995
73 HH22 ARG 8 2HH1 ARG 8 10.646 3.131 -1.875
74 H ARG 9 H ARG 9 4.924 5.696 -2.051
75 HA ARG 9 HA ARG 9 2.209 6.014 -3.162
76 HB2 ARG 9 1HB ARG 9 4.747 5.472 -4.705
77 HB3 ARG 9 2HB ARG 9 3.234 6.151 -5.301
78 HG2 ARG 9 1HG ARG 9 5.176 7.471 -3.386
79 HG3 ARG 9 2HG ARG 9 4.857 7.945 -5.051
80 HD2 ARG 9 1HD ARG 9 2.412 8.246 -4.325
81 HD3 ARG 9 2HD ARG 9 3.010 8.147 -2.669
82 HE ARG 9 HE ARG 9 4.606 10.050 -3.678
83 HH11 ARG 9 1HH2 ARG 9 1.194 9.524 -3.930
84 HH12 ARG 9 2HH2 ARG 9 0.807 11.206 -4.065
85 HH21 ARG 9 1HH1 ARG 9 4.103 12.255 -3.850
86 HH22 ARG 9 2HH1 ARG 9 2.453 12.753 -4.017
87 HA PRO 10 HA PRO 10 2.261 1.475 -2.492
88 HB2 PRO 10 1HB PRO 10 -0.343 1.699 -3.972
89 HB3 PRO 10 2HB PRO 10 0.025 0.841 -2.462
90 HG2 PRO 10 1HG PRO 10 -1.306 3.146 -2.446
91 HG3 PRO 10 2HG PRO 10 -0.125 2.755 -1.184
92 HD2 PRO 10 1HD PRO 10 0.151 4.636 -3.503
93 HD3 PRO 10 2HD PRO 10 0.811 4.759 -1.859
94 H TYR 11 H TYR 11 1.156 -0.266 -4.327
95 HA TYR 11 HA TYR 11 3.100 -0.387 -6.362
96 HB2 TYR 11 1HB TYR 11 0.433 -1.773 -6.042
97 HB3 TYR 11 2HB TYR 11 1.557 -2.136 -7.352
98 HD1 TYR 11 HD1 TYR 11 1.023 -2.260 -3.698
99 HD2 TYR 11 HD2 TYR 11 3.657 -3.278 -6.935
100 HE1 TYR 11 HE1 TYR 11 2.313 -3.742 -2.184
101 HE2 TYR 11 HE2 TYR 11 4.946 -4.759 -5.421
102 HH TYR 11 HH TYR 11 5.352 -5.126 -3.119
103 H ILE 12 H ILE 12 -0.184 0.892 -6.298
104 HA ILE 12 HA ILE 12 -0.689 1.243 -8.994
105 HB ILE 12 HB ILE 12 -2.263 1.764 -7.107
106 HG12 ILE 12 1HG1 ILE 12 -3.263 3.781 -8.222
107 HG13 ILE 12 2HG1 ILE 12 -1.799 3.930 -9.190
108 HG21 ILE 12 1HG2 ILE 12 -0.476 3.111 -5.866
109 HG22 ILE 12 2HG2 ILE 12 -2.089 3.821 -5.917
110 HG23 ILE 12 3HG2 ILE 12 -0.827 4.422 -6.991
111 HD11 ILE 12 3HD1 ILE 12 -2.290 2.062 -10.469
112 HD12 ILE 12 1HD1 ILE 12 -3.924 2.608 -10.101
113 HD13 ILE 12 2HD1 ILE 12 -3.213 1.282 -9.182
114 H LEU 13 H LEU 13 0.098 2.512 -10.570
115 HA LEU 13 HA LEU 13 1.953 4.714 -9.842
116 HB2 LEU 13 1HB LEU 13 3.057 4.035 -12.128
117 HB3 LEU 13 2HB LEU 13 3.447 3.126 -10.671
118 HG LEU 13 HG LEU 13 1.794 1.414 -11.256
119 HD11 LEU 13 1HD1 LEU 13 0.078 2.594 -12.385
120 HD12 LEU 13 2HD1 LEU 13 0.810 1.599 -13.640
121 HD13 LEU 13 3HD1 LEU 13 1.210 3.314 -13.531
122 HD21 LEU 13 3HD2 LEU 13 4.108 1.256 -12.164
123 HD22 LEU 13 1HD2 LEU 13 3.573 2.096 -13.619
124 HD23 LEU 13 2HD2 LEU 13 2.923 0.504 -13.230
Start of MODEL 15
1 H1 GLU 1 1H GLU 1 -2.498 -10.726 8.460
2 H2 GLU 1 2H GLU 1 -2.706 -10.521 6.786
3 H3 GLU 1 3H GLU 1 -3.998 -11.064 7.745
4 HA GLU 1 HA GLU 1 -4.191 -8.976 8.838
5 HB2 GLU 1 1HB GLU 1 -1.740 -8.535 8.902
6 HB3 GLU 1 2HB GLU 1 -1.786 -8.151 7.182
7 HG2 GLU 1 1HG GLU 1 -3.365 -6.324 7.610
8 HG3 GLU 1 2HG GLU 1 -3.381 -6.721 9.327
9 H LEU 2 H LEU 2 -6.111 -8.820 7.785
10 HA LEU 2 HA LEU 2 -6.462 -8.728 4.986
11 HB2 LEU 2 1HB LEU 2 -8.231 -7.808 7.257
12 HB3 LEU 2 2HB LEU 2 -8.747 -7.832 5.574
13 HG LEU 2 HG LEU 2 -7.685 -10.264 7.045
14 HD11 LEU 2 1HD1 LEU 2 -10.565 -9.514 6.459
15 HD12 LEU 2 2HD1 LEU 2 -9.798 -9.392 8.043
16 HD13 LEU 2 3HD1 LEU 2 -10.007 -10.971 7.285
17 HD21 LEU 2 3HD2 LEU 2 -8.811 -9.755 4.297
18 HD22 LEU 2 1HD2 LEU 2 -9.128 -11.312 5.062
19 HD23 LEU 2 2HD2 LEU 2 -7.472 -10.792 4.781
20 H TYR 3 H TYR 3 -6.196 -6.160 7.416
21 HA TYR 3 HA TYR 3 -6.756 -4.003 5.666
22 HB2 TYR 3 1HB TYR 3 -6.835 -3.797 8.121
23 HB3 TYR 3 2HB TYR 3 -5.087 -4.026 8.191
24 HD1 TYR 3 HD2 TYR 3 -7.752 -1.828 6.785
25 HD2 TYR 3 HD1 TYR 3 -3.603 -2.208 7.830
26 HE1 TYR 3 HE2 TYR 3 -7.424 0.593 6.358
27 HE2 TYR 3 HE1 TYR 3 -3.276 0.215 7.403
28 HH TYR 3 HH TYR 3 -5.977 2.354 6.794
29 H GLU 4 H GLU 4 -5.526 -2.933 4.235
30 HA GLU 4 HA GLU 4 -2.898 -3.979 3.589
31 HB2 GLU 4 1HB GLU 4 -4.571 -3.315 1.847
32 HB3 GLU 4 2HB GLU 4 -4.381 -1.640 2.361
33 HG2 GLU 4 1HG GLU 4 -2.930 -1.971 0.470
34 HG3 GLU 4 2HG GLU 4 -1.903 -1.872 1.898
35 H ASN 5 H ASN 5 -0.954 -2.850 3.696
36 HA ASN 5 HA ASN 5 -0.954 -0.286 5.183
37 HB2 ASN 5 1HB ASN 5 0.964 -1.073 6.494
38 HB3 ASN 5 2HB ASN 5 -0.446 -2.097 6.763
39 HD21 ASN 5 2HD2 ASN 5 1.759 -3.428 7.417
40 HD22 ASN 5 1HD2 ASN 5 2.285 -4.483 6.195
41 H LYS 6 H LYS 6 -0.645 0.620 3.041
42 HA LYS 6 HA LYS 6 1.674 -0.040 1.504
43 HB2 LYS 6 1HB LYS 6 0.990 2.508 0.646
44 HB3 LYS 6 2HB LYS 6 0.298 1.015 0.013
45 HG2 LYS 6 1HG LYS 6 -1.478 2.568 0.617
46 HG3 LYS 6 2HG LYS 6 -1.535 1.170 1.681
47 HD2 LYS 6 1HD LYS 6 -0.670 2.379 3.518
48 HD3 LYS 6 2HD LYS 6 0.019 3.631 2.487
49 HE2 LYS 6 1HE LYS 6 -2.103 4.260 3.775
50 HE3 LYS 6 2HE LYS 6 -2.120 4.579 2.041
51 HZ1 LYS 6 3HZ LYS 6 -2.994 1.981 2.350
52 HZ2 LYS 6 1HZ LYS 6 -3.927 3.330 1.924
53 HZ3 LYS 6 2HZ LYS 6 -3.795 2.871 3.554
54 HA PRO 7 HA PRO 7 4.520 2.662 3.602
55 HB2 PRO 7 1HB PRO 7 6.448 2.964 1.802
56 HB3 PRO 7 2HB PRO 7 5.994 1.318 2.294
57 HG2 PRO 7 1HG PRO 7 5.105 2.855 -0.123
58 HG3 PRO 7 2HG PRO 7 5.767 1.206 -0.035
59 HD2 PRO 7 1HD PRO 7 3.059 1.733 -0.104
60 HD3 PRO 7 2HD PRO 7 3.755 0.294 0.682
61 H ARG 8 H ARG 8 5.737 4.267 0.937
62 HA ARG 8 HA ARG 8 4.287 6.706 1.592
63 HB2 ARG 8 1HB ARG 8 6.747 6.794 1.299
64 HB3 ARG 8 2HB ARG 8 6.555 6.269 -0.371
65 HG2 ARG 8 1HG ARG 8 5.260 8.266 -0.895
66 HG3 ARG 8 2HG ARG 8 5.293 8.767 0.795
67 HD2 ARG 8 1HD ARG 8 6.993 10.000 -0.445
68 HD3 ARG 8 2HD ARG 8 7.775 8.895 0.680
69 HE ARG 8 HE ARG 8 7.461 7.626 -1.838
70 HH11 ARG 8 1HH2 ARG 8 9.222 10.133 -0.229
71 HH12 ARG 8 2HH2 ARG 8 10.621 9.987 -1.241
72 HH21 ARG 8 1HH1 ARG 8 9.292 7.427 -3.164
73 HH22 ARG 8 2HH1 ARG 8 10.661 8.456 -2.901
74 H ARG 9 H ARG 9 5.367 6.160 -1.651
75 HA ARG 9 HA ARG 9 2.594 6.327 -2.603
76 HB2 ARG 9 1HB ARG 9 3.888 6.545 -4.871
77 HB3 ARG 9 2HB ARG 9 3.855 7.916 -3.766
78 HG2 ARG 9 1HG ARG 9 6.045 7.311 -2.881
79 HG3 ARG 9 2HG ARG 9 6.081 5.861 -3.880
80 HD2 ARG 9 1HD ARG 9 7.362 7.877 -4.787
81 HD3 ARG 9 2HD ARG 9 6.216 7.119 -5.891
82 HE ARG 9 HE ARG 9 4.991 9.241 -4.413
83 HH11 ARG 9 1HH2 ARG 9 7.118 8.499 -7.038
84 HH12 ARG 9 2HH2 ARG 9 6.770 9.953 -7.913
85 HH21 ARG 9 1HH1 ARG 9 4.529 11.150 -5.553
86 HH22 ARG 9 2HH1 ARG 9 5.304 11.454 -7.072
87 HA PRO 10 HA PRO 10 3.336 1.894 -3.135
88 HB2 PRO 10 1HB PRO 10 0.780 1.087 -3.642
89 HB3 PRO 10 2HB PRO 10 1.341 1.515 -2.014
90 HG2 PRO 10 1HG PRO 10 -0.260 3.130 -3.945
91 HG3 PRO 10 2HG PRO 10 -0.431 2.984 -2.186
92 HD2 PRO 10 1HD PRO 10 0.832 5.106 -3.443
93 HD3 PRO 10 2HD PRO 10 1.175 4.603 -1.771
94 H TYR 11 H TYR 11 2.088 0.287 -4.964
95 HA TYR 11 HA TYR 11 3.205 1.203 -7.450
96 HB2 TYR 11 1HB TYR 11 1.507 -1.237 -6.869
97 HB3 TYR 11 2HB TYR 11 2.454 -0.957 -8.330
98 HD1 TYR 11 HD2 TYR 11 4.961 -0.779 -8.175
99 HD2 TYR 11 HD1 TYR 11 2.531 -2.017 -4.857
100 HE1 TYR 11 HE2 TYR 11 6.967 -1.713 -7.054
101 HE2 TYR 11 HE1 TYR 11 4.535 -2.953 -3.736
102 HH TYR 11 HH TYR 11 7.166 -2.392 -3.912
103 H ILE 12 H ILE 12 1.895 3.143 -7.695
104 HA ILE 12 HA ILE 12 -0.740 2.570 -8.932
105 HB ILE 12 HB ILE 12 -1.459 4.819 -8.073
106 HG12 ILE 12 1HG1 ILE 12 0.952 4.541 -6.256
107 HG13 ILE 12 2HG1 ILE 12 0.925 5.603 -7.662
108 HG21 ILE 12 1HG2 ILE 12 -0.724 2.580 -6.177
109 HG22 ILE 12 2HG2 ILE 12 -2.290 2.910 -6.917
110 HG23 ILE 12 3HG2 ILE 12 -1.670 3.975 -5.659
111 HD11 ILE 12 3HD1 ILE 12 -1.020 6.797 -6.732
112 HD12 ILE 12 1HD1 ILE 12 0.338 6.839 -5.607
113 HD13 ILE 12 2HD1 ILE 12 -1.005 5.731 -5.327
114 H LEU 13 H LEU 13 1.277 2.502 -10.610
115 HA LEU 13 HA LEU 13 2.259 4.948 -11.616
116 HB2 LEU 13 1HB LEU 13 1.884 2.208 -12.808
117 HB3 LEU 13 2HB LEU 13 2.477 3.540 -13.795
118 HG LEU 13 HG LEU 13 4.278 2.110 -12.732
119 HD11 LEU 13 1HD1 LEU 13 4.562 4.879 -11.596
120 HD12 LEU 13 2HD1 LEU 13 4.414 4.692 -13.343
121 HD13 LEU 13 3HD1 LEU 13 5.728 3.899 -12.481
122 HD21 LEU 13 3HD2 LEU 13 4.682 2.250 -10.375
123 HD22 LEU 13 1HD2 LEU 13 2.975 1.857 -10.563
124 HD23 LEU 13 2HD2 LEU 13 3.463 3.506 -10.173
Start of MODEL 16
1 H1 GLU 1 1H GLU 1 -8.058 -7.336 7.287
2 H2 GLU 1 2H GLU 1 -8.897 -8.160 6.060
3 H3 GLU 1 3H GLU 1 -9.363 -6.587 6.502
4 HA GLU 1 HA GLU 1 -7.982 -6.909 4.374
5 HB2 GLU 1 1HB GLU 1 -8.547 -4.739 5.498
6 HB3 GLU 1 2HB GLU 1 -7.095 -4.915 6.484
7 HG2 GLU 1 1HG GLU 1 -6.519 -3.496 4.630
8 HG3 GLU 1 2HG GLU 1 -5.767 -5.061 4.329
9 H LEU 2 H LEU 2 -6.300 -8.089 3.728
10 HA LEU 2 HA LEU 2 -4.458 -9.320 5.467
11 HB2 LEU 2 1HB LEU 2 -4.501 -8.873 2.487
12 HB3 LEU 2 2HB LEU 2 -3.161 -9.704 3.267
13 HG LEU 2 HG LEU 2 -6.058 -10.529 3.625
14 HD11 LEU 2 1HD1 LEU 2 -5.489 -12.354 1.994
15 HD12 LEU 2 2HD1 LEU 2 -3.975 -11.515 1.654
16 HD13 LEU 2 3HD1 LEU 2 -5.516 -10.747 1.269
17 HD21 LEU 2 3HD2 LEU 2 -3.385 -11.649 4.460
18 HD22 LEU 2 1HD2 LEU 2 -4.694 -12.772 4.094
19 HD23 LEU 2 2HD2 LEU 2 -4.897 -11.571 5.362
20 H TYR 3 H TYR 3 -4.203 -6.398 3.466
21 HA TYR 3 HA TYR 3 -1.452 -5.920 4.172
22 HB2 TYR 3 1HB TYR 3 -3.524 -4.061 2.981
23 HB3 TYR 3 2HB TYR 3 -1.789 -3.759 3.049
24 HD1 TYR 3 HD2 TYR 3 -4.456 -5.752 1.489
25 HD2 TYR 3 HD1 TYR 3 -0.227 -5.015 1.638
26 HE1 TYR 3 HE2 TYR 3 -4.163 -7.026 -0.615
27 HE2 TYR 3 HE1 TYR 3 0.067 -6.288 -0.472
28 HH TYR 3 HH TYR 3 -1.514 -8.312 -1.629
29 H GLU 4 H GLU 4 -0.698 -4.947 5.958
30 HA GLU 4 HA GLU 4 -2.473 -4.136 8.048
31 HB2 GLU 4 1HB GLU 4 0.525 -3.878 7.719
32 HB3 GLU 4 2HB GLU 4 -0.339 -3.402 9.178
33 HG2 GLU 4 1HG GLU 4 0.328 -5.596 9.678
34 HG3 GLU 4 2HG GLU 4 -1.320 -5.828 9.107
35 H ASN 5 H ASN 5 -0.082 -2.323 6.112
36 HA ASN 5 HA ASN 5 -1.833 -0.027 5.956
37 HB2 ASN 5 1HB ASN 5 0.701 0.097 7.603
38 HB3 ASN 5 2HB ASN 5 -0.196 1.511 7.051
39 HD21 ASN 5 2HD2 ASN 5 0.233 -0.194 9.784
40 HD22 ASN 5 1HD2 ASN 5 -1.319 -0.094 10.465
41 H LYS 6 H LYS 6 -1.156 1.468 4.388
42 HA LYS 6 HA LYS 6 0.696 0.425 2.443
43 HB2 LYS 6 1HB LYS 6 0.167 2.888 1.466
44 HB3 LYS 6 2HB LYS 6 -0.978 1.550 1.309
45 HG2 LYS 6 1HG LYS 6 -2.340 2.324 3.062
46 HG3 LYS 6 2HG LYS 6 -1.052 3.308 3.759
47 HD2 LYS 6 1HD LYS 6 -2.719 4.729 2.630
48 HD3 LYS 6 2HD LYS 6 -1.160 4.826 1.812
49 HE2 LYS 6 1HE LYS 6 -1.892 3.317 0.079
50 HE3 LYS 6 2HE LYS 6 -3.379 2.952 0.953
51 HZ1 LYS 6 3HZ LYS 6 -4.282 4.974 0.450
52 HZ2 LYS 6 1HZ LYS 6 -3.359 4.713 -0.948
53 HZ3 LYS 6 2HZ LYS 6 -2.777 5.741 0.272
54 HA PRO 7 HA PRO 7 4.111 2.893 3.967
55 HB2 PRO 7 1HB PRO 7 5.893 2.597 2.016
56 HB3 PRO 7 2HB PRO 7 5.280 1.149 2.840
57 HG2 PRO 7 1HG PRO 7 4.393 2.330 0.232
58 HG3 PRO 7 2HG PRO 7 4.825 0.645 0.602
59 HD2 PRO 7 1HD PRO 7 2.217 1.570 0.592
60 HD3 PRO 7 2HD PRO 7 2.773 0.196 1.586
61 H ARG 8 H ARG 8 5.251 3.799 0.949
62 HA ARG 8 HA ARG 8 4.229 6.510 1.246
63 HB2 ARG 8 1HB ARG 8 6.257 5.259 -0.622
64 HB3 ARG 8 2HB ARG 8 5.739 6.941 -0.753
65 HG2 ARG 8 1HG ARG 8 6.504 7.383 1.530
66 HG3 ARG 8 2HG ARG 8 6.964 5.690 1.725
67 HD2 ARG 8 1HD ARG 8 8.587 5.911 -0.111
68 HD3 ARG 8 2HD ARG 8 8.121 7.595 -0.330
69 HE ARG 8 HE ARG 8 8.872 7.351 2.331
70 HH11 ARG 8 1HH2 ARG 8 10.256 6.861 -0.801
71 HH12 ARG 8 2HH2 ARG 8 11.869 7.244 -0.303
72 HH21 ARG 8 1HH1 ARG 8 10.986 7.856 2.997
73 HH22 ARG 8 2HH1 ARG 8 12.283 7.809 1.850
74 H ARG 9 H ARG 9 4.873 5.618 -1.927
75 HA ARG 9 HA ARG 9 2.026 5.732 -2.637
76 HB2 ARG 9 1HB ARG 9 4.562 5.954 -4.273
77 HB3 ARG 9 2HB ARG 9 2.941 5.992 -4.963
78 HG2 ARG 9 1HG ARG 9 2.484 8.111 -4.143
79 HG3 ARG 9 2HG ARG 9 3.468 7.886 -2.698
80 HD2 ARG 9 1HD ARG 9 5.477 8.342 -3.858
81 HD3 ARG 9 2HD ARG 9 4.725 8.114 -5.435
82 HE ARG 9 HE ARG 9 4.708 10.526 -3.853
83 HH11 ARG 9 1HH2 ARG 9 3.021 8.630 -6.210
84 HH12 ARG 9 2HH2 ARG 9 2.199 9.983 -6.909
85 HH21 ARG 9 1HH1 ARG 9 3.643 12.302 -4.771
86 HH22 ARG 9 2HH1 ARG 9 2.560 12.066 -6.102
87 HA PRO 10 HA PRO 10 2.737 1.259 -2.913
88 HB2 PRO 10 1HB PRO 10 0.158 0.437 -3.336
89 HB3 PRO 10 2HB PRO 10 0.769 0.915 -1.741
90 HG2 PRO 10 1HG PRO 10 -0.860 2.489 -3.688
91 HG3 PRO 10 2HG PRO 10 -1.006 2.385 -1.923
92 HD2 PRO 10 1HD PRO 10 0.224 4.478 -3.202
93 HD3 PRO 10 2HD PRO 10 0.666 3.959 -1.560
94 H TYR 11 H TYR 11 3.753 2.285 -5.016
95 HA TYR 11 HA TYR 11 3.888 2.446 -7.336
96 HB2 TYR 11 1HB TYR 11 4.820 0.261 -6.779
97 HB3 TYR 11 2HB TYR 11 3.214 -0.465 -6.863
98 HD1 TYR 11 HD1 TYR 11 5.780 1.359 -8.869
99 HD2 TYR 11 HD2 TYR 11 2.282 -1.136 -8.943
100 HE1 TYR 11 HE1 TYR 11 6.039 1.064 -11.318
101 HE2 TYR 11 HE2 TYR 11 2.544 -1.433 -11.390
102 HH TYR 11 HH TYR 11 4.273 -1.287 -13.085
103 H ILE 12 H ILE 12 2.070 3.784 -7.817
104 HA ILE 12 HA ILE 12 -0.269 2.333 -8.944
105 HB ILE 12 HB ILE 12 -0.102 5.172 -7.889
106 HG12 ILE 12 1HG1 ILE 12 -1.640 2.800 -6.792
107 HG13 ILE 12 2HG1 ILE 12 -0.052 3.276 -6.190
108 HG21 ILE 12 1HG2 ILE 12 -2.335 3.525 -9.106
109 HG22 ILE 12 2HG2 ILE 12 -1.704 5.070 -9.679
110 HG23 ILE 12 3HG2 ILE 12 -2.625 4.996 -8.175
111 HD11 ILE 12 3HD1 ILE 12 -2.440 5.139 -6.298
112 HD12 ILE 12 1HD1 ILE 12 -0.883 5.453 -5.532
113 HD13 ILE 12 2HD1 ILE 12 -1.965 4.231 -4.862
114 H LEU 13 H LEU 13 -0.246 2.291 -11.103
115 HA LEU 13 HA LEU 13 0.055 4.616 -12.698
116 HB2 LEU 13 1HB LEU 13 2.481 4.029 -11.953
117 HB3 LEU 13 2HB LEU 13 2.346 2.687 -13.080
118 HG LEU 13 HG LEU 13 1.865 5.594 -13.804
119 HD11 LEU 13 1HD1 LEU 13 4.061 5.367 -14.996
120 HD12 LEU 13 2HD1 LEU 13 4.273 3.800 -14.218
121 HD13 LEU 13 3HD1 LEU 13 4.206 5.267 -13.242
122 HD21 LEU 13 3HD2 LEU 13 1.819 2.991 -15.331
123 HD22 LEU 13 1HD2 LEU 13 2.279 4.480 -16.160
124 HD23 LEU 13 2HD2 LEU 13 0.692 4.345 -15.408
Start of MODEL 17
1 H1 GLU 1 1H GLU 1 -4.854 -5.909 2.377
2 H2 GLU 1 2H GLU 1 -5.042 -6.667 0.868
3 H3 GLU 1 3H GLU 1 -3.487 -6.393 1.497
4 HA GLU 1 HA GLU 1 -5.526 -8.298 2.481
5 HB2 GLU 1 1HB GLU 1 -4.051 -8.966 0.568
6 HB3 GLU 1 2HB GLU 1 -2.651 -8.678 1.600
7 HG2 GLU 1 1HG GLU 1 -3.129 -11.031 1.703
8 HG3 GLU 1 2HG GLU 1 -3.642 -10.340 3.240
9 H LEU 2 H LEU 2 -2.657 -6.418 3.164
10 HA LEU 2 HA LEU 2 -2.136 -7.653 5.716
11 HB2 LEU 2 1HB LEU 2 -1.114 -5.066 4.519
12 HB3 LEU 2 2HB LEU 2 -0.464 -5.862 5.953
13 HG LEU 2 HG LEU 2 -0.596 -7.109 3.189
14 HD11 LEU 2 1HD1 LEU 2 1.752 -5.947 4.728
15 HD12 LEU 2 2HD1 LEU 2 1.006 -5.232 3.298
16 HD13 LEU 2 3HD1 LEU 2 1.856 -6.773 3.172
17 HD21 LEU 2 3HD2 LEU 2 0.331 -8.065 5.894
18 HD22 LEU 2 1HD2 LEU 2 1.179 -8.633 4.456
19 HD23 LEU 2 2HD2 LEU 2 -0.544 -8.940 4.638
20 H TYR 3 H TYR 3 -2.499 -6.778 7.757
21 HA TYR 3 HA TYR 3 -4.944 -5.410 8.127
22 HB2 TYR 3 1HB TYR 3 -2.657 -5.763 10.083
23 HB3 TYR 3 2HB TYR 3 -4.322 -5.341 10.493
24 HD1 TYR 3 HD1 TYR 3 -6.181 -6.977 9.964
25 HD2 TYR 3 HD2 TYR 3 -2.025 -8.017 9.670
26 HE1 TYR 3 HE1 TYR 3 -6.781 -9.386 9.979
27 HE2 TYR 3 HE2 TYR 3 -2.624 -10.423 9.686
28 HH TYR 3 HH TYR 3 -4.899 -11.750 8.964
29 H GLU 4 H GLU 4 -1.573 -4.335 8.232
30 HA GLU 4 HA GLU 4 -2.095 -1.684 9.083
31 HB2 GLU 4 1HB GLU 4 0.217 -2.858 7.520
32 HB3 GLU 4 2HB GLU 4 0.181 -1.203 8.121
33 HG2 GLU 4 1HG GLU 4 1.317 -2.321 9.837
34 HG3 GLU 4 2HG GLU 4 -0.336 -2.315 10.441
35 H ASN 5 H ASN 5 -2.237 0.239 7.916
36 HA ASN 5 HA ASN 5 -3.757 0.164 5.544
37 HB2 ASN 5 1HB ASN 5 -2.142 2.404 6.781
38 HB3 ASN 5 2HB ASN 5 -3.263 2.617 5.438
39 HD21 ASN 5 2HD2 ASN 5 -5.050 0.431 6.735
40 HD22 ASN 5 1HD2 ASN 5 -5.863 1.270 7.964
41 H LYS 6 H LYS 6 -2.939 1.621 3.589
42 HA LYS 6 HA LYS 6 -1.078 0.124 2.170
43 HB2 LYS 6 1HB LYS 6 -1.554 3.067 1.689
44 HB3 LYS 6 2HB LYS 6 -1.127 1.830 0.506
45 HG2 LYS 6 1HG LYS 6 -3.309 0.680 1.029
46 HG3 LYS 6 2HG LYS 6 -3.741 2.071 2.024
47 HD2 LYS 6 1HD LYS 6 -3.284 3.508 -0.042
48 HD3 LYS 6 2HD LYS 6 -3.251 2.001 -0.959
49 HE2 LYS 6 1HE LYS 6 -5.560 2.992 0.738
50 HE3 LYS 6 2HE LYS 6 -5.503 2.983 -1.025
51 HZ1 LYS 6 3HZ LYS 6 -6.693 1.063 -0.205
52 HZ2 LYS 6 1HZ LYS 6 -5.367 0.601 0.745
53 HZ3 LYS 6 2HZ LYS 6 -5.246 0.569 -0.949
54 HA PRO 7 HA PRO 7 2.730 1.908 3.733
55 HB2 PRO 7 1HB PRO 7 4.522 0.811 2.117
56 HB3 PRO 7 2HB PRO 7 3.444 -0.265 3.032
57 HG2 PRO 7 1HG PRO 7 3.197 0.650 0.190
58 HG3 PRO 7 2HG PRO 7 3.078 -1.000 0.845
59 HD2 PRO 7 1HD PRO 7 0.874 0.622 0.341
60 HD3 PRO 7 2HD PRO 7 0.887 -0.706 1.532
61 H ARG 8 H ARG 8 4.405 1.976 0.856
62 HA ARG 8 HA ARG 8 3.973 4.842 0.529
63 HB2 ARG 8 1HB ARG 8 5.845 4.695 -1.097
64 HB3 ARG 8 2HB ARG 8 6.295 4.050 0.480
65 HG2 ARG 8 1HG ARG 8 5.951 1.768 -0.299
66 HG3 ARG 8 2HG ARG 8 5.348 2.353 -1.851
67 HD2 ARG 8 1HD ARG 8 7.671 1.715 -2.126
68 HD3 ARG 8 2HD ARG 8 7.553 3.469 -2.230
69 HE ARG 8 HE ARG 8 8.086 2.681 0.450
70 HH11 ARG 8 1HH2 ARG 8 9.496 2.949 -2.696
71 HH12 ARG 8 2HH2 ARG 8 11.113 3.155 -2.108
72 HH21 ARG 8 1HH1 ARG 8 10.206 2.948 1.233
73 HH22 ARG 8 2HH1 ARG 8 11.514 3.148 0.117
74 H ARG 9 H ARG 9 4.510 4.858 -2.315
75 HA ARG 9 HA ARG 9 1.847 4.471 -3.243
76 HB2 ARG 9 1HB ARG 9 3.077 4.758 -5.553
77 HB3 ARG 9 2HB ARG 9 2.981 6.126 -4.446
78 HG2 ARG 9 1HG ARG 9 5.216 5.789 -3.673
79 HG3 ARG 9 2HG ARG 9 5.318 4.205 -4.438
80 HD2 ARG 9 1HD ARG 9 6.532 5.763 -5.820
81 HD3 ARG 9 2HD ARG 9 5.046 5.345 -6.666
82 HE ARG 9 HE ARG 9 4.325 7.544 -6.393
83 HH11 ARG 9 1HH2 ARG 9 7.057 6.845 -4.385
84 HH12 ARG 9 2HH2 ARG 9 7.311 8.495 -3.921
85 HH21 ARG 9 1HH1 ARG 9 4.654 9.709 -5.789
86 HH22 ARG 9 2HH1 ARG 9 5.950 10.115 -4.713
87 HA PRO 10 HA PRO 10 2.726 0.075 -3.731
88 HB2 PRO 10 1HB PRO 10 0.224 -0.784 -4.464
89 HB3 PRO 10 2HB PRO 10 0.674 -0.404 -2.790
90 HG2 PRO 10 1HG PRO 10 -0.872 1.224 -4.750
91 HG3 PRO 10 2HG PRO 10 -1.090 1.057 -2.999
92 HD2 PRO 10 1HD PRO 10 0.162 3.218 -4.207
93 HD3 PRO 10 2HD PRO 10 0.445 2.720 -2.525
94 H TYR 11 H TYR 11 0.149 0.561 -6.101
95 HA TYR 11 HA TYR 11 2.026 -0.222 -8.256
96 HB2 TYR 11 1HB TYR 11 -0.994 -0.420 -8.142
97 HB3 TYR 11 2HB TYR 11 0.034 -0.984 -9.461
98 HD1 TYR 11 HD2 TYR 11 1.890 -2.693 -8.880
99 HD2 TYR 11 HD1 TYR 11 -1.436 -1.830 -6.301
100 HE1 TYR 11 HE2 TYR 11 2.264 -4.832 -7.679
101 HE2 TYR 11 HE1 TYR 11 -1.060 -3.967 -5.101
102 HH TYR 11 HH TYR 11 0.033 -5.940 -5.162
103 H ILE 12 H ILE 12 0.956 2.543 -7.022
104 HA ILE 12 HA ILE 12 -0.051 3.819 -9.434
105 HB ILE 12 HB ILE 12 0.702 4.925 -6.717
106 HG12 ILE 12 1HG1 ILE 12 -2.024 4.589 -7.998
107 HG13 ILE 12 2HG1 ILE 12 -1.310 3.374 -6.937
108 HG21 ILE 12 1HG2 ILE 12 0.965 6.710 -8.289
109 HG22 ILE 12 2HG2 ILE 12 -0.635 6.925 -7.578
110 HG23 ILE 12 3HG2 ILE 12 -0.473 6.221 -9.187
111 HD11 ILE 12 3HD1 ILE 12 -1.184 4.967 -5.108
112 HD12 ILE 12 1HD1 ILE 12 -2.832 4.965 -5.735
113 HD13 ILE 12 2HD1 ILE 12 -1.729 6.274 -6.159
114 H LEU 13 H LEU 13 1.187 4.642 -10.974
115 HA LEU 13 HA LEU 13 4.074 4.921 -10.543
116 HB2 LEU 13 1HB LEU 13 4.162 5.190 -12.996
117 HB3 LEU 13 2HB LEU 13 3.342 3.707 -12.517
118 HG LEU 13 HG LEU 13 1.210 5.469 -12.624
119 HD11 LEU 13 1HD1 LEU 13 2.915 6.167 -15.023
120 HD12 LEU 13 2HD1 LEU 13 2.851 7.188 -13.588
121 HD13 LEU 13 3HD1 LEU 13 1.386 6.893 -14.525
122 HD21 LEU 13 3HD2 LEU 13 1.295 3.223 -13.642
123 HD22 LEU 13 1HD2 LEU 13 2.333 3.840 -14.928
124 HD23 LEU 13 2HD2 LEU 13 0.670 4.406 -14.789
Start of MODEL 18
1 H1 GLU 1 1H GLU 1 -6.531 -12.283 8.897
2 H2 GLU 1 2H GLU 1 -7.375 -10.822 8.706
3 H3 GLU 1 3H GLU 1 -7.166 -11.489 10.254
4 HA GLU 1 HA GLU 1 -5.147 -10.622 10.510
5 HB2 GLU 1 1HB GLU 1 -3.446 -10.702 8.721
6 HB3 GLU 1 2HB GLU 1 -4.223 -12.272 8.927
7 HG2 GLU 1 1HG GLU 1 -5.745 -11.745 7.037
8 HG3 GLU 1 2HG GLU 1 -4.905 -10.212 6.807
9 H LEU 2 H LEU 2 -3.892 -8.628 9.814
10 HA LEU 2 HA LEU 2 -5.757 -6.518 9.253
11 HB2 LEU 2 1HB LEU 2 -2.736 -6.407 9.427
12 HB3 LEU 2 2HB LEU 2 -3.840 -5.039 9.536
13 HG LEU 2 HG LEU 2 -3.772 -7.381 11.463
14 HD11 LEU 2 1HD1 LEU 2 -1.796 -5.799 11.531
15 HD12 LEU 2 2HD1 LEU 2 -2.731 -5.872 13.025
16 HD13 LEU 2 3HD1 LEU 2 -2.930 -4.507 11.926
17 HD21 LEU 2 3HD2 LEU 2 -5.189 -5.613 12.801
18 HD22 LEU 2 1HD2 LEU 2 -5.980 -6.574 11.555
19 HD23 LEU 2 2HD2 LEU 2 -5.495 -4.913 11.211
20 H TYR 3 H TYR 3 -5.902 -5.211 7.446
21 HA TYR 3 HA TYR 3 -5.078 -6.429 4.951
22 HB2 TYR 3 1HB TYR 3 -6.587 -3.875 5.559
23 HB3 TYR 3 2HB TYR 3 -6.288 -4.493 3.934
24 HD1 TYR 3 HD2 TYR 3 -8.051 -5.096 7.124
25 HD2 TYR 3 HD1 TYR 3 -7.433 -6.461 3.099
26 HE1 TYR 3 HE2 TYR 3 -10.011 -6.603 7.336
27 HE2 TYR 3 HE1 TYR 3 -9.391 -7.969 3.309
28 HH TYR 3 HH TYR 3 -11.197 -8.469 4.569
29 H GLU 4 H GLU 4 -3.498 -5.759 3.587
30 HA GLU 4 HA GLU 4 -1.404 -4.118 4.643
31 HB2 GLU 4 1HB GLU 4 -0.994 -6.046 3.136
32 HB3 GLU 4 2HB GLU 4 -1.777 -5.163 1.825
33 HG2 GLU 4 1HG GLU 4 -0.096 -3.375 2.007
34 HG3 GLU 4 2HG GLU 4 0.677 -4.225 3.343
35 H ASN 5 H ASN 5 -1.197 -1.996 4.536
36 HA ASN 5 HA ASN 5 -2.927 -0.438 2.718
37 HB2 ASN 5 1HB ASN 5 -1.376 0.304 5.207
38 HB3 ASN 5 2HB ASN 5 -2.200 1.481 4.186
39 HD21 ASN 5 2HD2 ASN 5 -2.985 1.079 6.909
40 HD22 ASN 5 1HD2 ASN 5 -4.533 0.383 6.921
41 H LYS 6 H LYS 6 -2.020 1.218 1.402
42 HA LYS 6 HA LYS 6 0.238 0.630 -0.027
43 HB2 LYS 6 1HB LYS 6 -0.492 3.502 0.550
44 HB3 LYS 6 2HB LYS 6 0.168 2.817 -0.933
45 HG2 LYS 6 1HG LYS 6 -2.616 2.393 0.188
46 HG3 LYS 6 2HG LYS 6 -2.183 3.234 -1.300
47 HD2 LYS 6 1HD LYS 6 -1.136 1.025 -2.068
48 HD3 LYS 6 2HD LYS 6 -1.980 0.275 -0.712
49 HE2 LYS 6 1HE LYS 6 -4.121 1.249 -1.587
50 HE3 LYS 6 2HE LYS 6 -3.237 1.811 -3.003
51 HZ1 LYS 6 3HZ LYS 6 -4.210 -0.797 -2.405
52 HZ2 LYS 6 1HZ LYS 6 -2.547 -0.828 -2.734
53 HZ3 LYS 6 2HZ LYS 6 -3.625 -0.176 -3.874
54 HA PRO 7 HA PRO 7 3.520 1.837 2.769
55 HB2 PRO 7 1HB PRO 7 5.648 1.742 1.171
56 HB3 PRO 7 2HB PRO 7 4.674 0.274 1.394
57 HG2 PRO 7 1HG PRO 7 4.579 2.257 -0.851
58 HG3 PRO 7 2HG PRO 7 4.672 0.485 -0.934
59 HD2 PRO 7 1HD PRO 7 2.297 1.885 -1.133
60 HD3 PRO 7 2HD PRO 7 2.406 0.215 -0.518
61 H ARG 8 H ARG 8 5.402 3.276 0.386
62 HA ARG 8 HA ARG 8 4.803 5.959 1.351
63 HB2 ARG 8 1HB ARG 8 6.916 4.871 -0.525
64 HB3 ARG 8 2HB ARG 8 6.721 6.590 -0.178
65 HG2 ARG 8 1HG ARG 8 7.101 6.173 2.208
66 HG3 ARG 8 2HG ARG 8 7.239 4.442 1.898
67 HD2 ARG 8 1HD ARG 8 9.020 6.510 0.593
68 HD3 ARG 8 2HD ARG 8 9.454 5.662 2.076
69 HE ARG 8 HE ARG 8 8.736 3.746 0.144
70 HH11 ARG 8 1HH2 ARG 8 11.153 6.141 0.782
71 HH12 ARG 8 2HH2 ARG 8 12.402 5.310 -0.085
72 HH21 ARG 8 1HH1 ARG 8 10.369 2.651 -0.990
73 HH22 ARG 8 2HH1 ARG 8 11.958 3.333 -1.086
74 H ARG 9 H ARG 9 5.803 5.319 -1.888
75 HA ARG 9 HA ARG 9 3.438 6.670 -2.927
76 HB2 ARG 9 1HB ARG 9 4.640 6.961 -4.950
77 HB3 ARG 9 2HB ARG 9 5.786 7.273 -3.656
78 HG2 ARG 9 1HG ARG 9 5.569 4.700 -5.257
79 HG3 ARG 9 2HG ARG 9 6.820 5.918 -5.411
80 HD2 ARG 9 1HD ARG 9 6.322 4.114 -3.036
81 HD3 ARG 9 2HD ARG 9 7.752 4.197 -4.049
82 HE ARG 9 HE ARG 9 7.018 6.058 -1.918
83 HH11 ARG 9 1HH2 ARG 9 9.007 5.319 -4.658
84 HH12 ARG 9 2HH2 ARG 9 10.262 6.427 -4.218
85 HH21 ARG 9 1HH1 ARG 9 8.662 7.517 -1.342
86 HH22 ARG 9 2HH1 ARG 9 10.066 7.674 -2.346
87 HA PRO 10 HA PRO 10 1.751 2.517 -3.434
88 HB2 PRO 10 1HB PRO 10 -0.127 3.781 -5.393
89 HB3 PRO 10 2HB PRO 10 -0.488 2.791 -3.966
90 HG2 PRO 10 1HG PRO 10 -0.872 5.456 -4.010
91 HG3 PRO 10 2HG PRO 10 -0.411 4.583 -2.539
92 HD2 PRO 10 1HD PRO 10 1.261 6.351 -4.279
93 HD3 PRO 10 2HD PRO 10 1.370 6.037 -2.531
94 H TYR 11 H TYR 11 1.969 0.880 -4.980
95 HA TYR 11 HA TYR 11 3.925 0.933 -6.851
96 HB2 TYR 11 1HB TYR 11 2.671 -1.100 -6.128
97 HB3 TYR 11 2HB TYR 11 1.354 -0.625 -7.200
98 HD1 TYR 11 HD1 TYR 11 5.048 -1.247 -7.203
99 HD2 TYR 11 HD2 TYR 11 1.390 -1.314 -9.454
100 HE1 TYR 11 HE1 TYR 11 6.238 -2.295 -9.108
101 HE2 TYR 11 HE2 TYR 11 2.582 -2.357 -11.360
102 HH TYR 11 HH TYR 11 5.756 -2.326 -11.782
103 H ILE 12 H ILE 12 0.610 2.032 -7.301
104 HA ILE 12 HA ILE 12 0.813 2.427 -10.134
105 HB ILE 12 HB ILE 12 -1.068 3.800 -8.204
106 HG12 ILE 12 1HG1 ILE 12 -1.206 1.406 -7.809
107 HG13 ILE 12 2HG1 ILE 12 -2.620 1.906 -8.734
108 HG21 ILE 12 1HG2 ILE 12 -1.346 3.078 -11.136
109 HG22 ILE 12 2HG2 ILE 12 -0.974 4.689 -10.522
110 HG23 ILE 12 3HG2 ILE 12 -2.532 3.943 -10.160
111 HD11 ILE 12 3HD1 ILE 12 -0.205 0.372 -9.670
112 HD12 ILE 12 1HD1 ILE 12 -1.198 1.259 -10.825
113 HD13 ILE 12 2HD1 ILE 12 -1.908 -0.032 -9.860
114 H LEU 13 H LEU 13 1.738 4.062 -11.203
115 HA LEU 13 HA LEU 13 2.863 6.308 -9.683
116 HB2 LEU 13 1HB LEU 13 4.327 5.075 -11.237
117 HB3 LEU 13 2HB LEU 13 3.248 5.472 -12.572
118 HG LEU 13 HG LEU 13 3.676 7.881 -12.205
119 HD11 LEU 13 1HD1 LEU 13 4.186 8.200 -9.949
120 HD12 LEU 13 2HD1 LEU 13 5.792 8.290 -10.667
121 HD13 LEU 13 3HD1 LEU 13 5.259 6.802 -9.882
122 HD21 LEU 13 3HD2 LEU 13 5.105 6.507 -13.734
123 HD22 LEU 13 1HD2 LEU 13 6.243 6.276 -12.407
124 HD23 LEU 13 2HD2 LEU 13 5.960 7.893 -13.057
Start of MODEL 19
1 H1 GLU 1 1H GLU 1 -7.401 -8.140 4.702
2 H2 GLU 1 2H GLU 1 -8.362 -9.264 3.865
3 H3 GLU 1 3H GLU 1 -7.779 -7.881 3.069
4 HA GLU 1 HA GLU 1 -5.980 -9.928 4.221
5 HB2 GLU 1 1HB GLU 1 -7.502 -10.930 2.514
6 HB3 GLU 1 2HB GLU 1 -6.964 -9.711 1.360
7 HG2 GLU 1 1HG GLU 1 -4.660 -10.518 1.533
8 HG3 GLU 1 2HG GLU 1 -5.140 -11.689 2.760
9 H LEU 2 H LEU 2 -6.640 -6.926 2.760
10 HA LEU 2 HA LEU 2 -4.062 -6.488 1.554
11 HB2 LEU 2 1HB LEU 2 -6.244 -4.536 2.331
12 HB3 LEU 2 2HB LEU 2 -4.863 -4.172 1.298
13 HG LEU 2 HG LEU 2 -6.875 -6.357 0.694
14 HD11 LEU 2 1HD1 LEU 2 -7.680 -4.686 -1.059
15 HD12 LEU 2 2HD1 LEU 2 -6.760 -3.461 -0.186
16 HD13 LEU 2 3HD1 LEU 2 -8.095 -4.295 0.610
17 HD21 LEU 2 3HD2 LEU 2 -4.928 -6.830 -0.551
18 HD22 LEU 2 1HD2 LEU 2 -4.540 -5.126 -0.782
19 HD23 LEU 2 2HD2 LEU 2 -5.869 -5.860 -1.678
20 H TYR 3 H TYR 3 -2.425 -5.077 2.320
21 HA TYR 3 HA TYR 3 -1.925 -5.268 5.120
22 HB2 TYR 3 1HB TYR 3 -0.552 -3.661 2.954
23 HB3 TYR 3 2HB TYR 3 0.055 -3.841 4.600
24 HD1 TYR 3 HD2 TYR 3 -0.756 -5.661 1.468
25 HD2 TYR 3 HD1 TYR 3 1.095 -5.876 5.338
26 HE1 TYR 3 HE2 TYR 3 0.275 -7.831 0.854
27 HE2 TYR 3 HE1 TYR 3 2.126 -8.048 4.725
28 HH TYR 3 HH TYR 3 2.109 -9.238 1.486
29 H GLU 4 H GLU 4 -2.572 -3.980 6.704
30 HA GLU 4 HA GLU 4 -4.204 -1.690 6.224
31 HB2 GLU 4 1HB GLU 4 -2.922 -2.762 8.748
32 HB3 GLU 4 2HB GLU 4 -4.065 -1.419 8.714
33 HG2 GLU 4 1HG GLU 4 -4.655 -4.186 7.624
34 HG3 GLU 4 2HG GLU 4 -5.141 -3.626 9.222
35 H ASN 5 H ASN 5 -0.839 -2.145 7.220
36 HA ASN 5 HA ASN 5 -0.412 0.734 7.464
37 HB2 ASN 5 1HB ASN 5 1.453 -1.626 7.786
38 HB3 ASN 5 2HB ASN 5 1.907 0.056 8.058
39 HD21 ASN 5 2HD2 ASN 5 -0.766 0.749 9.227
40 HD22 ASN 5 1HD2 ASN 5 -0.781 0.048 10.772
41 H LYS 6 H LYS 6 -0.417 1.728 5.517
42 HA LYS 6 HA LYS 6 0.847 0.565 3.189
43 HB2 LYS 6 1HB LYS 6 -0.589 3.139 3.796
44 HB3 LYS 6 2HB LYS 6 0.350 3.003 2.311
45 HG2 LYS 6 1HG LYS 6 -0.984 1.189 1.518
46 HG3 LYS 6 2HG LYS 6 -1.724 0.943 3.100
47 HD2 LYS 6 1HD LYS 6 -3.292 2.109 1.616
48 HD3 LYS 6 2HD LYS 6 -2.793 3.178 2.927
49 HE2 LYS 6 1HE LYS 6 -1.345 4.415 1.520
50 HE3 LYS 6 2HE LYS 6 -1.347 3.166 0.275
51 HZ1 LYS 6 3HZ LYS 6 -3.508 5.050 0.990
52 HZ2 LYS 6 1HZ LYS 6 -3.827 3.628 0.122
53 HZ3 LYS 6 2HZ LYS 6 -2.779 4.799 -0.523
54 HA PRO 7 HA PRO 7 4.732 2.649 3.948
55 HB2 PRO 7 1HB PRO 7 5.961 2.374 1.619
56 HB3 PRO 7 2HB PRO 7 5.351 0.910 2.416
57 HG2 PRO 7 1HG PRO 7 4.051 2.533 0.257
58 HG3 PRO 7 2HG PRO 7 4.355 0.777 0.297
59 HD2 PRO 7 1HD PRO 7 1.949 1.901 1.050
60 HD3 PRO 7 2HD PRO 7 2.561 0.369 1.719
61 H ARG 8 H ARG 8 5.616 3.936 1.127
62 HA ARG 8 HA ARG 8 4.525 6.561 1.759
63 HB2 ARG 8 1HB ARG 8 6.662 5.546 -0.114
64 HB3 ARG 8 2HB ARG 8 5.999 7.162 -0.330
65 HG2 ARG 8 1HG ARG 8 6.972 6.300 2.389
66 HG3 ARG 8 2HG ARG 8 8.130 6.834 1.173
67 HD2 ARG 8 1HD ARG 8 6.830 8.948 0.914
68 HD3 ARG 8 2HD ARG 8 5.763 8.431 2.212
69 HE ARG 8 HE ARG 8 8.534 9.326 2.485
70 HH11 ARG 8 1HH2 ARG 8 5.741 7.839 3.903
71 HH12 ARG 8 2HH2 ARG 8 6.231 8.164 5.532
72 HH21 ARG 8 1HH1 ARG 8 9.174 9.750 4.619
73 HH22 ARG 8 2HH1 ARG 8 8.170 9.244 5.938
74 H ARG 9 H ARG 9 5.131 6.153 -1.511
75 HA ARG 9 HA ARG 9 2.259 6.156 -2.121
76 HB2 ARG 9 1HB ARG 9 4.570 6.640 -4.011
77 HB3 ARG 9 2HB ARG 9 2.876 7.068 -4.252
78 HG2 ARG 9 1HG ARG 9 4.766 8.253 -2.196
79 HG3 ARG 9 2HG ARG 9 4.116 9.070 -3.617
80 HD2 ARG 9 1HD ARG 9 2.670 8.216 -1.114
81 HD3 ARG 9 2HD ARG 9 2.721 9.809 -1.866
82 HE ARG 9 HE ARG 9 1.001 7.582 -2.628
83 HH11 ARG 9 1HH2 ARG 9 2.413 10.634 -3.449
84 HH12 ARG 9 2HH2 ARG 9 1.219 11.020 -4.643
85 HH21 ARG 9 1HH1 ARG 9 -0.569 8.084 -4.194
86 HH22 ARG 9 2HH1 ARG 9 -0.468 9.580 -5.063
87 HA PRO 10 HA PRO 10 3.115 1.853 -3.077
88 HB2 PRO 10 1HB PRO 10 0.657 1.074 -3.987
89 HB3 PRO 10 2HB PRO 10 0.996 1.356 -2.267
90 HG2 PRO 10 1HG PRO 10 -0.319 3.166 -4.251
91 HG3 PRO 10 2HG PRO 10 -0.779 2.813 -2.575
92 HD2 PRO 10 1HD PRO 10 0.594 5.071 -3.279
93 HD3 PRO 10 2HD PRO 10 0.790 4.291 -1.691
94 H TYR 11 H TYR 11 3.308 0.465 -4.964
95 HA TYR 11 HA TYR 11 3.825 1.967 -7.386
96 HB2 TYR 11 1HB TYR 11 4.135 -0.979 -6.766
97 HB3 TYR 11 2HB TYR 11 4.703 -0.181 -8.232
98 HD1 TYR 11 HD2 TYR 11 6.370 1.738 -8.009
99 HD2 TYR 11 HD1 TYR 11 5.428 -0.925 -4.774
100 HE1 TYR 11 HE2 TYR 11 8.452 2.418 -6.844
101 HE2 TYR 11 HE1 TYR 11 7.507 -0.243 -3.608
102 HH TYR 11 HH TYR 11 10.013 1.296 -5.069
103 H ILE 12 H ILE 12 1.023 1.007 -6.197
104 HA ILE 12 HA ILE 12 -0.077 -0.473 -8.419
105 HB ILE 12 HB ILE 12 -1.406 0.951 -6.099
106 HG12 ILE 12 1HG1 ILE 12 -1.015 -2.013 -6.598
107 HG13 ILE 12 2HG1 ILE 12 0.094 -1.049 -5.623
108 HG21 ILE 12 1HG2 ILE 12 -2.488 -0.815 -8.305
109 HG22 ILE 12 2HG2 ILE 12 -3.024 0.804 -7.853
110 HG23 ILE 12 3HG2 ILE 12 -3.348 -0.562 -6.785
111 HD11 ILE 12 3HD1 ILE 12 -1.848 -0.363 -4.192
112 HD12 ILE 12 1HD1 ILE 12 -1.519 -2.096 -4.139
113 HD13 ILE 12 2HD1 ILE 12 -2.859 -1.482 -5.105
114 H LEU 13 H LEU 13 -0.819 0.354 -10.269
115 HA LEU 13 HA LEU 13 -1.383 3.269 -10.420
116 HB2 LEU 13 1HB LEU 13 -0.228 1.424 -12.527
117 HB3 LEU 13 2HB LEU 13 -0.644 3.117 -12.781
118 HG LEU 13 HG LEU 13 1.335 2.143 -10.700
119 HD11 LEU 13 1HD1 LEU 13 3.083 2.893 -12.217
120 HD12 LEU 13 2HD1 LEU 13 1.882 3.442 -13.386
121 HD13 LEU 13 3HD1 LEU 13 2.069 1.719 -13.055
122 HD21 LEU 13 3HD2 LEU 13 1.999 4.688 -10.999
123 HD22 LEU 13 1HD2 LEU 13 0.647 4.256 -9.958
124 HD23 LEU 13 2HD2 LEU 13 0.347 4.852 -11.591
Start of MODEL 20
1 H1 GLU 1 1H GLU 1 -4.897 -8.746 5.963
2 H2 GLU 1 2H GLU 1 -4.084 -10.143 6.484
3 H3 GLU 1 3H GLU 1 -5.729 -10.221 6.065
4 HA GLU 1 HA GLU 1 -3.505 -10.616 4.421
5 HB2 GLU 1 1HB GLU 1 -5.671 -11.844 4.397
6 HB3 GLU 1 2HB GLU 1 -6.454 -10.399 3.758
7 HG2 GLU 1 1HG GLU 1 -5.011 -10.459 1.778
8 HG3 GLU 1 2HG GLU 1 -4.162 -11.866 2.420
9 H LEU 2 H LEU 2 -6.039 -8.126 4.375
10 HA LEU 2 HA LEU 2 -4.945 -6.779 2.080
11 HB2 LEU 2 1HB LEU 2 -6.981 -5.865 4.126
12 HB3 LEU 2 2HB LEU 2 -6.650 -5.071 2.589
13 HG LEU 2 HG LEU 2 -7.530 -7.966 2.814
14 HD11 LEU 2 1HD1 LEU 2 -9.776 -7.219 2.275
15 HD12 LEU 2 2HD1 LEU 2 -9.232 -5.548 2.128
16 HD13 LEU 2 3HD1 LEU 2 -9.235 -6.340 3.703
17 HD21 LEU 2 3HD2 LEU 2 -7.140 -6.012 0.536
18 HD22 LEU 2 1HD2 LEU 2 -8.245 -7.375 0.370
19 HD23 LEU 2 2HD2 LEU 2 -6.539 -7.662 0.687
20 H TYR 3 H TYR 3 -3.872 -4.780 2.034
21 HA TYR 3 HA TYR 3 -1.930 -4.373 4.034
22 HB2 TYR 3 1HB TYR 3 -2.908 -2.614 1.783
23 HB3 TYR 3 2HB TYR 3 -1.577 -2.155 2.844
24 HD1 TYR 3 HD2 TYR 3 0.525 -3.435 2.861
25 HD2 TYR 3 HD1 TYR 3 -2.674 -4.412 0.166
26 HE1 TYR 3 HE2 TYR 3 2.081 -4.827 1.520
27 HE2 TYR 3 HE1 TYR 3 -1.117 -5.803 -1.176
28 HH TYR 3 HH TYR 3 1.772 -5.640 -1.388
29 H GLU 4 H GLU 4 -2.238 -3.661 6.013
30 HA GLU 4 HA GLU 4 -4.571 -2.287 6.887
31 HB2 GLU 4 1HB GLU 4 -1.881 -2.748 8.192
32 HB3 GLU 4 2HB GLU 4 -3.262 -2.027 9.019
33 HG2 GLU 4 1HG GLU 4 -3.310 -4.748 7.684
34 HG3 GLU 4 2HG GLU 4 -3.039 -4.498 9.408
35 H ASN 5 H ASN 5 -1.291 -1.267 6.059
36 HA ASN 5 HA ASN 5 -2.225 1.510 5.828
37 HB2 ASN 5 1HB ASN 5 -1.317 1.319 8.115
38 HB3 ASN 5 2HB ASN 5 0.200 0.708 7.455
39 HD21 ASN 5 2HD2 ASN 5 -1.982 3.568 7.159
40 HD22 ASN 5 1HD2 ASN 5 -0.724 4.676 6.905
41 H LYS 6 H LYS 6 -1.332 2.539 4.121
42 HA LYS 6 HA LYS 6 0.291 1.057 2.293
43 HB2 LYS 6 1HB LYS 6 -0.622 3.935 2.358
44 HB3 LYS 6 2HB LYS 6 0.350 3.271 1.045
45 HG2 LYS 6 1HG LYS 6 -1.357 1.722 0.428
46 HG3 LYS 6 2HG LYS 6 -2.243 1.986 1.930
47 HD2 LYS 6 1HD LYS 6 -2.881 4.201 1.268
48 HD3 LYS 6 2HD LYS 6 -1.771 4.178 -0.103
49 HE2 LYS 6 1HE LYS 6 -4.081 3.774 -0.852
50 HE3 LYS 6 2HE LYS 6 -3.080 2.348 -1.128
51 HZ1 LYS 6 3HZ LYS 6 -4.190 1.164 0.404
52 HZ2 LYS 6 1HZ LYS 6 -5.427 2.291 0.131
53 HZ3 LYS 6 2HZ LYS 6 -4.384 2.482 1.458
54 HA PRO 7 HA PRO 7 4.192 2.642 3.809
55 HB2 PRO 7 1HB PRO 7 5.862 1.906 1.881
56 HB3 PRO 7 2HB PRO 7 4.897 0.655 2.697
57 HG2 PRO 7 1HG PRO 7 4.359 2.018 0.081
58 HG3 PRO 7 2HG PRO 7 4.359 0.279 0.452
59 HD2 PRO 7 1HD PRO 7 2.059 1.816 0.422
60 HD3 PRO 7 2HD PRO 7 2.248 0.350 1.415
61 H ARG 8 H ARG 8 5.565 3.234 0.817
62 HA ARG 8 HA ARG 8 5.205 6.111 1.087
63 HB2 ARG 8 1HB ARG 8 6.943 4.392 -0.695
64 HB3 ARG 8 2HB ARG 8 6.815 6.136 -0.908
65 HG2 ARG 8 1HG ARG 8 7.483 5.005 1.811
66 HG3 ARG 8 2HG ARG 8 8.746 5.152 0.592
67 HD2 ARG 8 1HD ARG 8 8.201 7.562 0.343
68 HD3 ARG 8 2HD ARG 8 6.997 7.416 1.615
69 HE ARG 8 HE ARG 8 9.904 7.372 1.952
70 HH11 ARG 8 1HH2 ARG 8 6.749 6.887 3.299
71 HH12 ARG 8 2HH2 ARG 8 7.274 7.070 4.939
72 HH21 ARG 8 1HH1 ARG 8 10.591 7.613 4.104
73 HH22 ARG 8 2HH1 ARG 8 9.444 7.480 5.395
74 H ARG 9 H ARG 9 5.688 5.138 -2.084
75 HA ARG 9 HA ARG 9 2.928 5.860 -2.823
76 HB2 ARG 9 1HB ARG 9 3.914 5.984 -5.134
77 HB3 ARG 9 2HB ARG 9 4.580 7.143 -3.988
78 HG2 ARG 9 1HG ARG 9 6.177 4.752 -3.785
79 HG3 ARG 9 2HG ARG 9 5.987 5.102 -5.500
80 HD2 ARG 9 1HD ARG 9 7.984 6.205 -4.457
81 HD3 ARG 9 2HD ARG 9 6.863 7.339 -5.205
82 HE ARG 9 HE ARG 9 6.263 6.969 -2.434
83 HH11 ARG 9 1HH2 ARG 9 8.436 8.491 -4.659
84 HH12 ARG 9 2HH2 ARG 9 8.825 9.801 -3.595
85 HH21 ARG 9 1HH1 ARG 9 6.765 8.685 -1.037
86 HH22 ARG 9 2HH1 ARG 9 7.880 9.911 -1.544
87 HA PRO 10 HA PRO 10 2.611 1.293 -3.054
88 HB2 PRO 10 1HB PRO 10 -0.062 1.969 -4.230
89 HB3 PRO 10 2HB PRO 10 0.339 0.837 -2.924
90 HG2 PRO 10 1HG PRO 10 -0.794 3.215 -2.433
91 HG3 PRO 10 2HG PRO 10 0.387 2.494 -1.325
92 HD2 PRO 10 1HD PRO 10 0.747 4.766 -3.240
93 HD3 PRO 10 2HD PRO 10 1.516 4.474 -1.666
94 H TYR 11 H TYR 11 3.018 -0.096 -4.746
95 HA TYR 11 HA TYR 11 3.846 0.933 -7.229
96 HB2 TYR 11 1HB TYR 11 3.097 -1.916 -6.523
97 HB3 TYR 11 2HB TYR 11 4.053 -1.413 -7.918
98 HD1 TYR 11 HD2 TYR 11 6.315 -0.449 -7.617
99 HD2 TYR 11 HD1 TYR 11 4.033 -1.937 -4.296
100 HE1 TYR 11 HE2 TYR 11 8.363 -0.471 -6.218
101 HE2 TYR 11 HE1 TYR 11 6.079 -1.958 -2.897
102 HH TYR 11 HH TYR 11 8.472 -0.463 -3.115
103 H ILE 12 H ILE 12 0.747 0.532 -6.089
104 HA ILE 12 HA ILE 12 -0.635 -0.468 -8.345
105 HB ILE 12 HB ILE 12 -1.507 1.387 -6.118
106 HG12 ILE 12 1HG1 ILE 12 -2.144 -1.534 -6.619
107 HG13 ILE 12 2HG1 ILE 12 -0.810 -0.999 -5.597
108 HG21 ILE 12 1HG2 ILE 12 -3.063 0.095 -8.371
109 HG22 ILE 12 2HG2 ILE 12 -3.028 1.798 -7.916
110 HG23 ILE 12 3HG2 ILE 12 -3.832 0.625 -6.875
111 HD11 ILE 12 3HD1 ILE 12 -2.977 -1.503 -4.366
112 HD12 ILE 12 1HD1 ILE 12 -3.665 -0.092 -5.169
113 HD13 ILE 12 2HD1 ILE 12 -2.298 0.098 -4.071
114 H LEU 13 H LEU 13 0.250 2.820 -7.349
115 HA LEU 13 HA LEU 13 0.233 4.823 -8.484
116 HB2 LEU 13 1HB LEU 13 0.669 3.032 -10.888
117 HB3 LEU 13 2HB LEU 13 1.082 4.742 -10.759
118 HG LEU 13 HG LEU 13 2.249 2.543 -9.025
119 HD11 LEU 13 1HD1 LEU 13 3.435 4.089 -11.353
120 HD12 LEU 13 2HD1 LEU 13 3.009 2.378 -11.359
121 HD13 LEU 13 3HD1 LEU 13 4.318 2.956 -10.328
122 HD21 LEU 13 3HD2 LEU 13 3.935 4.514 -8.612
123 HD22 LEU 13 1HD2 LEU 13 2.403 4.511 -7.743
124 HD23 LEU 13 2HD2 LEU 13 2.609 5.539 -9.161
Start of MODEL 21
1 H1 GLU 1 1H GLU 1 -6.538 -12.192 7.243
2 H2 GLU 1 2H GLU 1 -8.029 -11.415 7.481
3 H3 GLU 1 3H GLU 1 -6.607 -10.743 8.122
4 HA GLU 1 HA GLU 1 -5.874 -10.791 5.607
5 HB2 GLU 1 1HB GLU 1 -8.090 -11.885 5.032
6 HB3 GLU 1 2HB GLU 1 -8.870 -10.362 5.462
7 HG2 GLU 1 1HG GLU 1 -7.501 -9.181 3.781
8 HG3 GLU 1 2HG GLU 1 -6.717 -10.700 3.357
9 H LEU 2 H LEU 2 -5.054 -9.234 7.360
10 HA LEU 2 HA LEU 2 -6.511 -6.819 7.863
11 HB2 LEU 2 1HB LEU 2 -3.531 -7.320 8.050
12 HB3 LEU 2 2HB LEU 2 -4.426 -6.017 8.830
13 HG LEU 2 HG LEU 2 -4.866 -8.973 9.352
14 HD11 LEU 2 1HD1 LEU 2 -3.647 -8.696 11.378
15 HD12 LEU 2 2HD1 LEU 2 -3.628 -6.939 11.216
16 HD13 LEU 2 3HD1 LEU 2 -2.654 -7.935 10.135
17 HD21 LEU 2 3HD2 LEU 2 -6.097 -6.432 10.431
18 HD22 LEU 2 1HD2 LEU 2 -6.055 -7.895 11.417
19 HD23 LEU 2 2HD2 LEU 2 -6.905 -7.899 9.874
20 H TYR 3 H TYR 3 -6.081 -4.728 7.013
21 HA TYR 3 HA TYR 3 -5.624 -4.657 4.204
22 HB2 TYR 3 1HB TYR 3 -5.869 -2.519 6.323
23 HB3 TYR 3 2HB TYR 3 -5.532 -2.118 4.639
24 HD1 TYR 3 HD1 TYR 3 -7.943 -3.922 6.849
25 HD2 TYR 3 HD2 TYR 3 -7.272 -2.066 3.036
26 HE1 TYR 3 HE1 TYR 3 -10.356 -4.133 6.325
27 HE2 TYR 3 HE2 TYR 3 -9.687 -2.270 2.511
28 HH TYR 3 HH TYR 3 -11.694 -2.807 3.300
29 H GLU 4 H GLU 4 -3.830 -4.185 3.042
30 HA GLU 4 HA GLU 4 -1.276 -4.521 4.241
31 HB2 GLU 4 1HB GLU 4 -2.069 -3.540 1.486
32 HB3 GLU 4 2HB GLU 4 -0.412 -3.888 1.974
33 HG2 GLU 4 1HG GLU 4 -1.060 -5.908 0.980
34 HG3 GLU 4 2HG GLU 4 -1.373 -6.226 2.682
35 H ASN 5 H ASN 5 0.349 -3.050 4.677
36 HA ASN 5 HA ASN 5 -0.550 -0.307 5.154
37 HB2 ASN 5 1HB ASN 5 0.744 -1.629 6.866
38 HB3 ASN 5 2HB ASN 5 2.142 -1.526 5.797
39 HD21 ASN 5 2HD2 ASN 5 3.243 -0.192 7.482
40 HD22 ASN 5 1HD2 ASN 5 2.832 1.446 7.651
41 H LYS 6 H LYS 6 -0.509 0.927 3.364
42 HA LYS 6 HA LYS 6 1.393 0.615 1.261
43 HB2 LYS 6 1HB LYS 6 -0.506 2.873 1.914
44 HB3 LYS 6 2HB LYS 6 0.424 2.755 0.419
45 HG2 LYS 6 1HG LYS 6 -0.692 0.700 -0.196
46 HG3 LYS 6 2HG LYS 6 -1.484 0.599 1.377
47 HD2 LYS 6 1HD LYS 6 -2.564 2.849 0.828
48 HD3 LYS 6 2HD LYS 6 -1.988 2.617 -0.821
49 HE2 LYS 6 1HE LYS 6 -4.217 1.761 -0.779
50 HE3 LYS 6 2HE LYS 6 -3.162 0.347 -0.765
51 HZ1 LYS 6 3HZ LYS 6 -5.074 1.123 1.139
52 HZ2 LYS 6 1HZ LYS 6 -3.548 1.159 1.877
53 HZ3 LYS 6 2HZ LYS 6 -4.098 -0.267 1.131
54 HA PRO 7 HA PRO 7 4.445 3.425 2.999
55 HB2 PRO 7 1HB PRO 7 6.117 3.689 0.955
56 HB3 PRO 7 2HB PRO 7 5.779 2.052 1.554
57 HG2 PRO 7 1HG PRO 7 4.516 3.489 -0.755
58 HG3 PRO 7 2HG PRO 7 5.267 1.874 -0.728
59 HD2 PRO 7 1HD PRO 7 2.554 2.252 -0.437
60 HD3 PRO 7 2HD PRO 7 3.431 0.889 0.304
61 H ARG 8 H ARG 8 5.523 5.204 0.583
62 HA ARG 8 HA ARG 8 3.641 7.373 1.040
63 HB2 ARG 8 1HB ARG 8 6.092 7.823 1.043
64 HB3 ARG 8 2HB ARG 8 6.169 7.309 -0.639
65 HG2 ARG 8 1HG ARG 8 4.543 9.104 -1.230
66 HG3 ARG 8 2HG ARG 8 4.570 9.646 0.448
67 HD2 ARG 8 1HD ARG 8 7.022 9.461 -1.321
68 HD3 ARG 8 2HD ARG 8 6.116 10.943 -1.035
69 HE ARG 8 HE ARG 8 6.790 9.863 1.466
70 HH11 ARG 8 1HH2 ARG 8 8.282 11.180 -1.362
71 HH12 ARG 8 2HH2 ARG 8 9.655 11.813 -0.518
72 HH21 ARG 8 1HH1 ARG 8 8.590 10.696 2.589
73 HH22 ARG 8 2HH1 ARG 8 9.832 11.530 1.717
74 H ARG 9 H ARG 9 5.264 6.510 -1.957
75 HA ARG 9 HA ARG 9 2.695 6.647 -3.382
76 HB2 ARG 9 1HB ARG 9 4.396 6.462 -5.395
77 HB3 ARG 9 2HB ARG 9 4.201 7.998 -4.548
78 HG2 ARG 9 1HG ARG 9 6.172 7.636 -3.233
79 HG3 ARG 9 2HG ARG 9 6.292 5.957 -3.757
80 HD2 ARG 9 1HD ARG 9 6.554 6.879 -6.137
81 HD3 ARG 9 2HD ARG 9 6.793 8.452 -5.382
82 HE ARG 9 HE ARG 9 8.893 7.740 -4.673
83 HH11 ARG 9 1HH2 ARG 9 6.955 5.093 -5.776
84 HH12 ARG 9 2HH2 ARG 9 8.245 3.940 -5.709
85 HH21 ARG 9 1HH1 ARG 9 10.593 6.225 -4.582
86 HH22 ARG 9 2HH1 ARG 9 10.295 4.576 -5.025
87 HA PRO 10 HA PRO 10 3.255 2.172 -3.098
88 HB2 PRO 10 1HB PRO 10 0.828 1.355 -4.026
89 HB3 PRO 10 2HB PRO 10 1.048 2.032 -2.398
90 HG2 PRO 10 1HG PRO 10 0.027 3.361 -4.870
91 HG3 PRO 10 2HG PRO 10 -0.562 3.484 -3.202
92 HD2 PRO 10 1HD PRO 10 1.063 5.376 -4.373
93 HD3 PRO 10 2HD PRO 10 1.024 5.079 -2.619
94 H TYR 11 H TYR 11 3.172 0.299 -4.644
95 HA TYR 11 HA TYR 11 4.574 0.785 -6.980
96 HB2 TYR 11 1HB TYR 11 4.445 -1.439 -5.985
97 HB3 TYR 11 2HB TYR 11 2.723 -1.531 -6.355
98 HD1 TYR 11 HD2 TYR 11 6.099 -1.204 -7.903
99 HD2 TYR 11 HD1 TYR 11 1.970 -2.226 -8.510
100 HE1 TYR 11 HE2 TYR 11 6.645 -2.058 -10.163
101 HE2 TYR 11 HE1 TYR 11 2.520 -3.079 -10.775
102 HH TYR 11 HH TYR 11 5.559 -3.811 -11.775
103 H ILE 12 H ILE 12 1.089 0.578 -6.468
104 HA ILE 12 HA ILE 12 0.445 0.826 -9.272
105 HB ILE 12 HB ILE 12 -1.261 1.127 -6.784
106 HG12 ILE 12 1HG1 ILE 12 -1.157 -1.142 -8.790
107 HG13 ILE 12 2HG1 ILE 12 -0.201 -1.144 -7.309
108 HG21 ILE 12 1HG2 ILE 12 -1.911 1.087 -9.741
109 HG22 ILE 12 2HG2 ILE 12 -2.365 2.309 -8.554
110 HG23 ILE 12 3HG2 ILE 12 -3.115 0.712 -8.510
111 HD11 ILE 12 3HD1 ILE 12 -2.344 -2.355 -7.015
112 HD12 ILE 12 1HD1 ILE 12 -3.221 -0.886 -7.441
113 HD13 ILE 12 2HD1 ILE 12 -2.252 -0.939 -5.968
114 H LEU 13 H LEU 13 0.324 2.660 -10.408
115 HA LEU 13 HA LEU 13 0.789 5.202 -9.084
116 HB2 LEU 13 1HB LEU 13 1.289 6.064 -11.204
117 HB3 LEU 13 2HB LEU 13 1.830 4.392 -11.307
118 HG LEU 13 HG LEU 13 -0.780 5.509 -12.396
119 HD11 LEU 13 1HD1 LEU 13 0.242 4.715 -14.558
120 HD12 LEU 13 2HD1 LEU 13 1.740 4.425 -13.676
121 HD13 LEU 13 3HD1 LEU 13 1.097 6.062 -13.807
122 HD21 LEU 13 3HD2 LEU 13 -0.998 3.159 -13.332
123 HD22 LEU 13 1HD2 LEU 13 -1.202 3.268 -11.583
124 HD23 LEU 13 2HD2 LEU 13 0.318 2.683 -12.262
Start of MODEL 22
1 H1 GLU 1 1H GLU 1 -4.750 -2.581 11.736
2 H2 GLU 1 2H GLU 1 -4.433 -3.145 10.164
3 H3 GLU 1 3H GLU 1 -3.444 -3.626 11.458
4 HA GLU 1 HA GLU 1 -5.117 -4.954 12.406
5 HB2 GLU 1 1HB GLU 1 -6.952 -3.320 12.012
6 HB3 GLU 1 2HB GLU 1 -6.963 -3.774 10.307
7 HG2 GLU 1 1HG GLU 1 -7.526 -6.084 10.899
8 HG3 GLU 1 2HG GLU 1 -7.453 -5.683 12.612
9 H LEU 2 H LEU 2 -6.006 -4.616 8.983
10 HA LEU 2 HA LEU 2 -5.434 -7.389 8.471
11 HB2 LEU 2 1HB LEU 2 -6.186 -5.109 6.630
12 HB3 LEU 2 2HB LEU 2 -6.043 -6.789 6.120
13 HG LEU 2 HG LEU 2 -7.890 -5.824 8.326
14 HD11 LEU 2 1HD1 LEU 2 -9.678 -6.322 6.589
15 HD12 LEU 2 2HD1 LEU 2 -8.384 -6.392 5.395
16 HD13 LEU 2 3HD1 LEU 2 -8.695 -4.892 6.269
17 HD21 LEU 2 3HD2 LEU 2 -7.610 -8.098 8.766
18 HD22 LEU 2 1HD2 LEU 2 -7.290 -8.501 7.080
19 HD23 LEU 2 2HD2 LEU 2 -8.938 -8.173 7.615
20 H TYR 3 H TYR 3 -3.798 -8.269 7.240
21 HA TYR 3 HA TYR 3 -1.259 -7.062 7.391
22 HB2 TYR 3 1HB TYR 3 -2.269 -9.376 5.729
23 HB3 TYR 3 2HB TYR 3 -0.570 -8.914 5.832
24 HD1 TYR 3 HD2 TYR 3 -3.450 -10.298 7.662
25 HD2 TYR 3 HD1 TYR 3 0.701 -9.220 7.896
26 HE1 TYR 3 HE2 TYR 3 -3.243 -11.565 9.783
27 HE2 TYR 3 HE1 TYR 3 0.911 -10.487 10.019
28 HH TYR 3 HH TYR 3 -1.428 -11.287 11.919
29 H GLU 4 H GLU 4 -3.547 -7.372 4.692
30 HA GLU 4 HA GLU 4 -1.864 -6.190 2.737
31 HB2 GLU 4 1HB GLU 4 -4.872 -6.461 2.900
32 HB3 GLU 4 2HB GLU 4 -4.018 -5.851 1.483
33 HG2 GLU 4 1HG GLU 4 -2.771 -7.946 1.294
34 HG3 GLU 4 2HG GLU 4 -3.537 -8.559 2.757
35 H ASN 5 H ASN 5 -1.195 -4.164 2.615
36 HA ASN 5 HA ASN 5 -2.981 -1.940 3.131
37 HB2 ASN 5 1HB ASN 5 -0.527 -2.379 4.851
38 HB3 ASN 5 2HB ASN 5 -1.463 -0.884 4.796
39 HD21 ASN 5 2HD2 ASN 5 -4.068 -1.625 4.920
40 HD22 ASN 5 1HD2 ASN 5 -4.383 -2.583 6.286
41 H LYS 6 H LYS 6 -2.092 0.086 2.407
42 HA LYS 6 HA LYS 6 -0.453 -0.174 0.101
43 HB2 LYS 6 1HB LYS 6 -1.800 2.042 1.561
44 HB3 LYS 6 2HB LYS 6 -0.406 2.525 0.598
45 HG2 LYS 6 1HG LYS 6 -2.363 2.714 -0.807
46 HG3 LYS 6 2HG LYS 6 -1.444 1.323 -1.369
47 HD2 LYS 6 1HD LYS 6 -3.587 0.409 -1.294
48 HD3 LYS 6 2HD LYS 6 -3.014 -0.003 0.319
49 HE2 LYS 6 1HE LYS 6 -5.120 0.942 0.748
50 HE3 LYS 6 2HE LYS 6 -4.038 2.309 1.005
51 HZ1 LYS 6 3HZ LYS 6 -4.753 2.089 -1.730
52 HZ2 LYS 6 1HZ LYS 6 -4.972 3.392 -0.668
53 HZ3 LYS 6 2HZ LYS 6 -6.146 2.168 -0.761
54 HA PRO 7 HA PRO 7 3.497 0.563 2.064
55 HB2 PRO 7 1HB PRO 7 5.028 1.127 -0.016
56 HB3 PRO 7 2HB PRO 7 4.075 -0.370 -0.078
57 HG2 PRO 7 1HG PRO 7 3.410 2.311 -1.245
58 HG3 PRO 7 2HG PRO 7 3.443 0.726 -2.057
59 HD2 PRO 7 1HD PRO 7 1.135 1.831 -1.020
60 HD3 PRO 7 2HD PRO 7 1.404 0.074 -1.154
61 H ARG 8 H ARG 8 5.175 2.691 0.551
62 HA ARG 8 HA ARG 8 4.243 4.973 2.094
63 HB2 ARG 8 1HB ARG 8 6.688 4.452 1.946
64 HB3 ARG 8 2HB ARG 8 6.614 4.763 0.213
65 HG2 ARG 8 1HG ARG 8 5.835 7.065 0.659
66 HG3 ARG 8 2HG ARG 8 5.924 6.756 2.391
67 HD2 ARG 8 1HD ARG 8 8.363 6.232 2.108
68 HD3 ARG 8 2HD ARG 8 8.227 6.736 0.426
69 HE ARG 8 HE ARG 8 7.222 8.811 2.027
70 HH11 ARG 8 1HH2 ARG 8 10.177 7.130 1.380
71 HH12 ARG 8 2HH2 ARG 8 11.189 8.489 1.735
72 HH21 ARG 8 1HH1 ARG 8 8.543 10.601 2.484
73 HH22 ARG 8 2HH1 ARG 8 10.264 10.454 2.364
74 H ARG 9 H ARG 9 5.422 4.703 -1.219
75 HA ARG 9 HA ARG 9 3.310 6.532 -2.161
76 HB2 ARG 9 1HB ARG 9 5.797 5.514 -3.562
77 HB3 ARG 9 2HB ARG 9 4.680 6.730 -4.182
78 HG2 ARG 9 1HG ARG 9 5.216 8.211 -2.299
79 HG3 ARG 9 2HG ARG 9 6.289 6.984 -1.625
80 HD2 ARG 9 1HD ARG 9 7.602 7.075 -3.781
81 HD3 ARG 9 2HD ARG 9 6.622 8.464 -4.245
82 HE ARG 9 HE ARG 9 8.762 8.439 -2.307
83 HH11 ARG 9 1HH2 ARG 9 5.802 9.923 -3.315
84 HH12 ARG 9 2HH2 ARG 9 6.150 11.446 -2.569
85 HH21 ARG 9 1HH1 ARG 9 9.225 10.435 -1.325
86 HH22 ARG 9 2HH1 ARG 9 8.091 11.738 -1.447
87 HA PRO 10 HA PRO 10 1.532 2.467 -3.300
88 HB2 PRO 10 1HB PRO 10 -0.611 4.169 -4.514
89 HB3 PRO 10 2HB PRO 10 -0.758 2.805 -3.388
90 HG2 PRO 10 1HG PRO 10 -1.119 5.340 -2.594
91 HG3 PRO 10 2HG PRO 10 -0.382 4.122 -1.537
92 HD2 PRO 10 1HD PRO 10 0.936 6.355 -3.041
93 HD3 PRO 10 2HD PRO 10 1.340 5.656 -1.460
94 H TYR 11 H TYR 11 1.443 1.324 -5.255
95 HA TYR 11 HA TYR 11 3.085 1.986 -7.336
96 HB2 TYR 11 1HB TYR 11 0.540 0.359 -7.512
97 HB3 TYR 11 2HB TYR 11 1.851 0.333 -8.690
98 HD1 TYR 11 HD2 TYR 11 4.120 -0.493 -8.022
99 HD2 TYR 11 HD1 TYR 11 0.712 -0.809 -5.427
100 HE1 TYR 11 HE2 TYR 11 5.321 -2.173 -6.647
101 HE2 TYR 11 HE1 TYR 11 1.912 -2.488 -4.052
102 HH TYR 11 HH TYR 11 5.099 -3.708 -5.013
103 H ILE 12 H ILE 12 3.076 3.801 -8.483
104 HA ILE 12 HA ILE 12 0.507 4.912 -9.444
105 HB ILE 12 HB ILE 12 1.992 6.410 -8.107
106 HG12 ILE 12 1HG1 ILE 12 2.005 8.286 -9.768
107 HG13 ILE 12 2HG1 ILE 12 1.630 7.126 -11.038
108 HG21 ILE 12 1HG2 ILE 12 4.149 7.013 -8.821
109 HG22 ILE 12 2HG2 ILE 12 3.886 6.413 -10.456
110 HG23 ILE 12 3HG2 ILE 12 4.108 5.278 -9.123
111 HD11 ILE 12 3HD1 ILE 12 -0.298 8.484 -9.812
112 HD12 ILE 12 1HD1 ILE 12 -0.146 7.196 -8.617
113 HD13 ILE 12 2HD1 ILE 12 -0.543 6.807 -10.292
114 H LEU 13 H LEU 13 -0.014 4.509 -11.478
115 HA LEU 13 HA LEU 13 2.071 4.393 -13.554
116 HB2 LEU 13 1HB LEU 13 0.036 2.221 -13.003
117 HB3 LEU 13 2HB LEU 13 0.929 2.354 -14.514
118 HG LEU 13 HG LEU 13 2.226 2.101 -11.782
119 HD11 LEU 13 1HD1 LEU 13 1.632 0.025 -13.904
120 HD12 LEU 13 2HD1 LEU 13 1.011 0.066 -12.254
121 HD13 LEU 13 3HD1 LEU 13 2.724 -0.239 -12.545
122 HD21 LEU 13 3HD2 LEU 13 4.145 1.310 -13.438
123 HD22 LEU 13 1HD2 LEU 13 3.882 3.028 -13.156
124 HD23 LEU 13 2HD2 LEU 13 3.250 2.268 -14.615
Start of MODEL 23
1 H1 GLU 1 1H GLU 1 -8.433 -7.600 7.409
2 H2 GLU 1 2H GLU 1 -9.404 -6.705 8.479
3 H3 GLU 1 3H GLU 1 -8.456 -7.990 9.060
4 HA GLU 1 HA GLU 1 -7.404 -5.483 7.872
5 HB2 GLU 1 1HB GLU 1 -6.720 -4.935 10.163
6 HB3 GLU 1 2HB GLU 1 -8.466 -5.172 10.095
7 HG2 GLU 1 1HG GLU 1 -8.147 -7.516 10.879
8 HG3 GLU 1 2HG GLU 1 -6.420 -7.206 11.036
9 H LEU 2 H LEU 2 -6.991 -8.590 7.668
10 HA LEU 2 HA LEU 2 -4.441 -9.176 8.734
11 HB2 LEU 2 1HB LEU 2 -5.699 -10.344 6.243
12 HB3 LEU 2 2HB LEU 2 -4.445 -11.079 7.240
13 HG LEU 2 HG LEU 2 -7.252 -10.411 8.178
14 HD11 LEU 2 1HD1 LEU 2 -7.451 -12.930 8.264
15 HD12 LEU 2 2HD1 LEU 2 -5.929 -13.018 7.378
16 HD13 LEU 2 3HD1 LEU 2 -7.340 -12.265 6.634
17 HD21 LEU 2 3HD2 LEU 2 -4.808 -11.577 9.517
18 HD22 LEU 2 1HD2 LEU 2 -6.422 -12.020 10.078
19 HD23 LEU 2 2HD2 LEU 2 -5.911 -10.335 10.113
20 H TYR 3 H TYR 3 -5.459 -7.831 5.620
21 HA TYR 3 HA TYR 3 -2.860 -7.843 4.450
22 HB2 TYR 3 1HB TYR 3 -5.359 -6.273 3.798
23 HB3 TYR 3 2HB TYR 3 -3.893 -6.240 2.817
24 HD1 TYR 3 HD1 TYR 3 -6.685 -8.350 4.017
25 HD2 TYR 3 HD2 TYR 3 -3.225 -8.143 1.478
26 HE1 TYR 3 HE1 TYR 3 -7.378 -10.454 2.898
27 HE2 TYR 3 HE2 TYR 3 -3.919 -10.246 0.360
28 HH TYR 3 HH TYR 3 -6.272 -12.302 1.617
29 H GLU 4 H GLU 4 -1.292 -6.326 4.396
30 HA GLU 4 HA GLU 4 -1.285 -4.314 6.458
31 HB2 GLU 4 1HB GLU 4 0.997 -3.870 5.711
32 HB3 GLU 4 2HB GLU 4 0.739 -5.607 5.866
33 HG2 GLU 4 1HG GLU 4 0.253 -5.701 3.409
34 HG3 GLU 4 2HG GLU 4 0.685 -3.996 3.298
35 H ASN 5 H ASN 5 -0.855 -2.046 6.077
36 HA ASN 5 HA ASN 5 -2.508 -0.998 3.932
37 HB2 ASN 5 1HB ASN 5 -2.158 1.164 5.016
38 HB3 ASN 5 2HB ASN 5 -2.627 -0.050 6.206
39 HD21 ASN 5 2HD2 ASN 5 -1.485 1.644 7.686
40 HD22 ASN 5 1HD2 ASN 5 0.188 1.455 7.902
41 H LYS 6 H LYS 6 -1.731 0.891 2.661
42 HA LYS 6 HA LYS 6 0.563 0.198 1.151
43 HB2 LYS 6 1HB LYS 6 -1.319 2.536 1.234
44 HB3 LYS 6 2HB LYS 6 0.163 2.681 0.291
45 HG2 LYS 6 1HG LYS 6 -1.683 1.863 -1.118
46 HG3 LYS 6 2HG LYS 6 -0.446 0.617 -0.949
47 HD2 LYS 6 1HD LYS 6 -1.745 -0.561 0.700
48 HD3 LYS 6 2HD LYS 6 -2.902 0.766 0.816
49 HE2 LYS 6 1HE LYS 6 -2.398 -0.762 -1.748
50 HE3 LYS 6 2HE LYS 6 -3.666 -1.196 -0.601
51 HZ1 LYS 6 3HZ LYS 6 -4.003 1.471 -0.930
52 HZ2 LYS 6 1HZ LYS 6 -4.906 0.264 -1.708
53 HZ3 LYS 6 2HZ LYS 6 -3.567 0.961 -2.491
54 HA PRO 7 HA PRO 7 3.594 2.540 3.460
55 HB2 PRO 7 1HB PRO 7 5.630 2.606 1.765
56 HB3 PRO 7 2HB PRO 7 4.958 1.024 2.212
57 HG2 PRO 7 1HG PRO 7 4.378 2.670 -0.224
58 HG3 PRO 7 2HG PRO 7 4.848 0.957 -0.125
59 HD2 PRO 7 1HD PRO 7 2.221 1.782 -0.316
60 HD3 PRO 7 2HD PRO 7 2.716 0.268 0.482
61 H ARG 8 H ARG 8 5.149 4.013 0.923
62 HA ARG 8 HA ARG 8 3.861 6.578 1.440
63 HB2 ARG 8 1HB ARG 8 5.739 7.283 -0.308
64 HB3 ARG 8 2HB ARG 8 6.156 6.957 1.371
65 HG2 ARG 8 1HG ARG 8 6.785 4.651 0.785
66 HG3 ARG 8 2HG ARG 8 6.341 4.948 -0.895
67 HD2 ARG 8 1HD ARG 8 8.756 5.203 -0.633
68 HD3 ARG 8 2HD ARG 8 8.031 6.770 -0.988
69 HE ARG 8 HE ARG 8 8.179 6.394 1.821
70 HH11 ARG 8 1HH2 ARG 8 10.124 6.969 -0.984
71 HH12 ARG 8 2HH2 ARG 8 11.360 7.819 -0.121
72 HH21 ARG 8 1HH1 ARG 8 9.799 7.508 2.958
73 HH22 ARG 8 2HH1 ARG 8 11.178 8.124 2.111
74 H ARG 9 H ARG 9 5.202 6.037 -1.663
75 HA ARG 9 HA ARG 9 2.560 6.325 -2.924
76 HB2 ARG 9 1HB ARG 9 5.336 6.492 -4.119
77 HB3 ARG 9 2HB ARG 9 3.823 6.882 -4.937
78 HG2 ARG 9 1HG ARG 9 3.466 8.809 -3.627
79 HG3 ARG 9 2HG ARG 9 4.589 8.284 -2.374
80 HD2 ARG 9 1HD ARG 9 5.589 8.788 -5.169
81 HD3 ARG 9 2HD ARG 9 5.345 10.137 -4.065
82 HE ARG 9 HE ARG 9 7.447 8.176 -3.936
83 HH11 ARG 9 1HH2 ARG 9 5.417 10.320 -2.132
84 HH12 ARG 9 2HH2 ARG 9 6.541 10.514 -0.829
85 HH21 ARG 9 1HH1 ARG 9 8.928 8.426 -2.229
86 HH22 ARG 9 2HH1 ARG 9 8.527 9.438 -0.883
87 HA PRO 10 HA PRO 10 3.088 1.778 -3.345
88 HB2 PRO 10 1HB PRO 10 0.582 2.083 -4.967
89 HB3 PRO 10 2HB PRO 10 0.944 0.947 -3.651
90 HG2 PRO 10 1HG PRO 10 -0.649 3.046 -3.263
91 HG3 PRO 10 2HG PRO 10 0.476 2.497 -2.009
92 HD2 PRO 10 1HD PRO 10 0.701 4.871 -3.832
93 HD3 PRO 10 2HD PRO 10 1.205 4.688 -2.139
94 H TYR 11 H TYR 11 1.790 0.787 -5.860
95 HA TYR 11 HA TYR 11 4.020 1.350 -7.668
96 HB2 TYR 11 1HB TYR 11 1.754 -0.654 -7.799
97 HB3 TYR 11 2HB TYR 11 3.026 -0.504 -9.012
98 HD1 TYR 11 HD2 TYR 11 5.435 -0.833 -8.329
99 HD2 TYR 11 HD1 TYR 11 2.149 -1.775 -5.729
100 HE1 TYR 11 HE2 TYR 11 6.944 -2.210 -6.925
101 HE2 TYR 11 HE1 TYR 11 3.658 -3.156 -4.324
102 HH TYR 11 HH TYR 11 6.831 -2.947 -4.286
103 H ILE 12 H ILE 12 1.559 3.143 -7.061
104 HA ILE 12 HA ILE 12 -0.133 3.410 -9.210
105 HB ILE 12 HB ILE 12 -0.169 5.851 -8.679
106 HG12 ILE 12 1HG1 ILE 12 1.973 5.104 -6.663
107 HG13 ILE 12 2HG1 ILE 12 2.284 5.997 -8.152
108 HG21 ILE 12 1HG2 ILE 12 -0.122 4.185 -6.155
109 HG22 ILE 12 2HG2 ILE 12 -1.405 4.042 -7.356
110 HG23 ILE 12 3HG2 ILE 12 -1.145 5.574 -6.523
111 HD11 ILE 12 3HD1 ILE 12 2.030 7.675 -6.493
112 HD12 ILE 12 1HD1 ILE 12 0.647 6.860 -5.764
113 HD13 ILE 12 2HD1 ILE 12 0.481 7.647 -7.333
114 H LEU 13 H LEU 13 -0.084 4.414 -11.197
115 HA LEU 13 HA LEU 13 2.393 5.634 -12.155
116 HB2 LEU 13 1HB LEU 13 2.713 3.234 -12.617
117 HB3 LEU 13 2HB LEU 13 1.177 3.190 -13.477
118 HG LEU 13 HG LEU 13 2.066 4.868 -15.096
119 HD11 LEU 13 1HD1 LEU 13 4.469 4.654 -13.290
120 HD12 LEU 13 2HD1 LEU 13 3.724 6.094 -13.984
121 HD13 LEU 13 3HD1 LEU 13 4.687 5.028 -15.000
122 HD21 LEU 13 3HD2 LEU 13 2.229 2.464 -15.584
123 HD22 LEU 13 1HD2 LEU 13 3.768 2.384 -14.724
124 HD23 LEU 13 2HD2 LEU 13 3.638 3.315 -16.217
Start of MODEL 24
1 H1 GLU 1 1H GLU 1 -6.034 -12.145 8.599
2 H2 GLU 1 2H GLU 1 -6.822 -10.686 8.967
3 H3 GLU 1 3H GLU 1 -5.168 -10.868 9.305
4 HA GLU 1 HA GLU 1 -4.996 -11.314 6.754
5 HB2 GLU 1 1HB GLU 1 -7.505 -11.217 6.532
6 HB3 GLU 1 2HB GLU 1 -7.429 -9.514 6.975
7 HG2 GLU 1 1HG GLU 1 -6.005 -9.038 5.047
8 HG3 GLU 1 2HG GLU 1 -5.983 -10.746 4.614
9 H LEU 2 H LEU 2 -3.952 -9.633 5.659
10 HA LEU 2 HA LEU 2 -2.728 -7.703 7.410
11 HB2 LEU 2 1HB LEU 2 -2.424 -8.349 4.476
12 HB3 LEU 2 2HB LEU 2 -1.517 -7.071 5.267
13 HG LEU 2 HG LEU 2 -0.418 -9.413 5.046
14 HD11 LEU 2 1HD1 LEU 2 0.433 -7.524 6.454
15 HD12 LEU 2 2HD1 LEU 2 0.808 -9.120 7.101
16 HD13 LEU 2 3HD1 LEU 2 -0.497 -8.172 7.806
17 HD21 LEU 2 3HD2 LEU 2 -2.392 -10.676 5.915
18 HD22 LEU 2 1HD2 LEU 2 -2.099 -9.961 7.506
19 HD23 LEU 2 2HD2 LEU 2 -0.897 -11.020 6.778
20 H TYR 3 H TYR 3 -2.950 -5.505 7.395
21 HA TYR 3 HA TYR 3 -5.420 -4.423 6.392
22 HB2 TYR 3 1HB TYR 3 -3.040 -3.173 7.774
23 HB3 TYR 3 2HB TYR 3 -4.498 -2.280 7.337
24 HD1 TYR 3 HD1 TYR 3 -3.102 -4.944 9.475
25 HD2 TYR 3 HD2 TYR 3 -6.604 -2.660 8.502
26 HE1 TYR 3 HE1 TYR 3 -4.209 -5.768 11.533
27 HE2 TYR 3 HE2 TYR 3 -7.714 -3.483 10.563
28 HH TYR 3 HH TYR 3 -6.572 -6.101 12.334
29 H GLU 4 H GLU 4 -5.753 -3.116 4.653
30 HA GLU 4 HA GLU 4 -3.806 -3.136 2.552
31 HB2 GLU 4 1HB GLU 4 -5.488 -1.812 1.309
32 HB3 GLU 4 2HB GLU 4 -6.193 -3.246 2.053
33 HG2 GLU 4 1HG GLU 4 -7.015 -1.892 3.931
34 HG3 GLU 4 2HG GLU 4 -6.287 -0.450 3.227
35 H ASN 5 H ASN 5 -2.748 -1.891 4.843
36 HA ASN 5 HA ASN 5 -2.816 0.987 4.440
37 HB2 ASN 5 1HB ASN 5 -2.614 -0.018 6.702
38 HB3 ASN 5 2HB ASN 5 -1.046 -0.679 6.246
39 HD21 ASN 5 2HD2 ASN 5 -0.097 0.705 7.995
40 HD22 ASN 5 1HD2 ASN 5 0.149 2.360 7.709
41 H LYS 6 H LYS 6 -1.826 1.707 2.657
42 HA LYS 6 HA LYS 6 0.283 0.439 1.312
43 HB2 LYS 6 1HB LYS 6 0.111 3.416 1.084
44 HB3 LYS 6 2HB LYS 6 0.151 2.190 -0.184
45 HG2 LYS 6 1HG LYS 6 -2.212 1.536 0.601
46 HG3 LYS 6 2HG LYS 6 -2.205 3.053 1.497
47 HD2 LYS 6 1HD LYS 6 -1.559 4.173 -0.729
48 HD3 LYS 6 2HD LYS 6 -2.020 2.650 -1.492
49 HE2 LYS 6 1HE LYS 6 -4.025 3.862 -1.579
50 HE3 LYS 6 2HE LYS 6 -4.231 2.929 -0.096
51 HZ1 LYS 6 3HZ LYS 6 -3.084 5.663 -0.141
52 HZ2 LYS 6 1HZ LYS 6 -3.600 4.774 1.208
53 HZ3 LYS 6 2HZ LYS 6 -4.740 5.353 0.088
54 HA PRO 7 HA PRO 7 3.742 1.901 3.733
55 HB2 PRO 7 1HB PRO 7 5.790 1.384 2.122
56 HB3 PRO 7 2HB PRO 7 4.708 0.051 2.575
57 HG2 PRO 7 1HG PRO 7 4.697 1.699 0.073
58 HG3 PRO 7 2HG PRO 7 4.644 -0.070 0.242
59 HD2 PRO 7 1HD PRO 7 2.382 1.494 -0.097
60 HD3 PRO 7 2HD PRO 7 2.380 -0.087 0.728
61 H ARG 8 H ARG 8 5.703 2.821 1.191
62 HA ARG 8 HA ARG 8 5.245 5.649 1.709
63 HB2 ARG 8 1HB ARG 8 7.572 4.767 1.635
64 HB3 ARG 8 2HB ARG 8 7.322 4.312 -0.048
65 HG2 ARG 8 1HG ARG 8 6.954 6.637 -0.671
66 HG3 ARG 8 2HG ARG 8 7.043 7.139 1.016
67 HD2 ARG 8 1HD ARG 8 9.187 7.586 0.000
68 HD3 ARG 8 2HD ARG 8 9.379 6.220 1.094
69 HE ARG 8 HE ARG 8 8.784 5.271 -1.511
70 HH11 ARG 8 1HH2 ARG 8 11.259 6.793 0.366
71 HH12 ARG 8 2HH2 ARG 8 12.564 6.136 -0.563
72 HH21 ARG 8 1HH1 ARG 8 10.484 4.411 -2.741
73 HH22 ARG 8 2HH1 ARG 8 12.123 4.801 -2.341
74 H ARG 9 H ARG 9 6.334 4.665 -1.403
75 HA ARG 9 HA ARG 9 3.923 5.799 -2.635
76 HB2 ARG 9 1HB ARG 9 6.207 6.628 -3.319
77 HB3 ARG 9 2HB ARG 9 6.529 5.018 -3.959
78 HG2 ARG 9 1HG ARG 9 5.738 6.155 -5.852
79 HG3 ARG 9 2HG ARG 9 4.286 5.348 -5.270
80 HD2 ARG 9 1HD ARG 9 3.329 7.421 -5.336
81 HD3 ARG 9 2HD ARG 9 4.244 7.762 -3.872
82 HE ARG 9 HE ARG 9 5.649 9.117 -5.133
83 HH11 ARG 9 1HH2 ARG 9 3.752 7.048 -7.159
84 HH12 ARG 9 2HH2 ARG 9 4.220 7.834 -8.631
85 HH21 ARG 9 1HH1 ARG 9 6.271 10.144 -7.071
86 HH22 ARG 9 2HH1 ARG 9 5.665 9.559 -8.582
87 HA PRO 10 HA PRO 10 3.132 1.361 -3.194
88 HB2 PRO 10 1HB PRO 10 0.516 1.500 -3.987
89 HB3 PRO 10 2HB PRO 10 1.024 1.644 -2.290
90 HG2 PRO 10 1HG PRO 10 0.255 3.781 -4.221
91 HG3 PRO 10 2HG PRO 10 -0.100 3.644 -2.489
92 HD2 PRO 10 1HD PRO 10 1.906 5.240 -3.534
93 HD3 PRO 10 2HD PRO 10 1.923 4.597 -1.875
94 H TYR 11 H TYR 11 3.187 3.893 -5.411
95 HA TYR 11 HA TYR 11 3.431 4.047 -7.683
96 HB2 TYR 11 1HB TYR 11 4.266 1.154 -7.351
97 HB3 TYR 11 2HB TYR 11 4.522 2.127 -8.801
98 HD1 TYR 11 HD2 TYR 11 5.958 4.175 -8.694
99 HD2 TYR 11 HD1 TYR 11 5.690 1.391 -5.434
100 HE1 TYR 11 HE2 TYR 11 8.042 5.111 -7.729
101 HE2 TYR 11 HE1 TYR 11 7.779 2.320 -4.473
102 HH TYR 11 HH TYR 11 9.808 4.489 -6.217
103 H ILE 12 H ILE 12 0.890 3.971 -7.177
104 HA ILE 12 HA ILE 12 -0.591 1.767 -8.180
105 HB ILE 12 HB ILE 12 -1.484 3.596 -6.687
106 HG12 ILE 12 1HG1 ILE 12 -3.044 3.215 -9.258
107 HG13 ILE 12 2HG1 ILE 12 -2.908 1.978 -8.010
108 HG21 ILE 12 1HG2 ILE 12 -0.464 5.455 -8.091
109 HG22 ILE 12 2HG2 ILE 12 -2.156 5.693 -7.653
110 HG23 ILE 12 3HG2 ILE 12 -1.734 5.149 -9.276
111 HD11 ILE 12 3HD1 ILE 12 -4.972 3.238 -7.671
112 HD12 ILE 12 1HD1 ILE 12 -4.073 4.756 -7.664
113 HD13 ILE 12 2HD1 ILE 12 -3.850 3.593 -6.357
114 H LEU 13 H LEU 13 0.570 4.767 -9.663
115 HA LEU 13 HA LEU 13 -0.709 4.676 -12.102
116 HB2 LEU 13 1HB LEU 13 0.747 6.525 -11.407
117 HB3 LEU 13 2HB LEU 13 2.160 5.483 -11.555
118 HG LEU 13 HG LEU 13 1.734 5.217 -13.966
119 HD11 LEU 13 1HD1 LEU 13 -0.565 5.360 -14.330
120 HD12 LEU 13 2HD1 LEU 13 -0.052 6.953 -14.878
121 HD13 LEU 13 3HD1 LEU 13 -0.755 6.758 -13.273
122 HD21 LEU 13 3HD2 LEU 13 1.809 8.057 -12.917
123 HD22 LEU 13 1HD2 LEU 13 2.043 7.659 -14.618
124 HD23 LEU 13 2HD2 LEU 13 3.173 7.052 -13.407
Start of MODEL 25
1 H1 GLU 1 1H GLU 1 -8.338 -11.093 7.940
2 H2 GLU 1 2H GLU 1 -8.773 -11.077 6.299
3 H3 GLU 1 3H GLU 1 -8.745 -9.629 7.188
4 HA GLU 1 HA GLU 1 -6.265 -11.152 7.088
5 HB2 GLU 1 1HB GLU 1 -5.698 -10.220 4.873
6 HB3 GLU 1 2HB GLU 1 -7.085 -11.304 4.766
7 HG2 GLU 1 1HG GLU 1 -8.608 -9.353 4.848
8 HG3 GLU 1 2HG GLU 1 -7.216 -8.276 4.916
9 H LEU 2 H LEU 2 -4.518 -9.755 7.449
10 HA LEU 2 HA LEU 2 -5.155 -7.358 8.892
11 HB2 LEU 2 1HB LEU 2 -2.457 -8.381 7.977
12 HB3 LEU 2 2HB LEU 2 -2.744 -7.160 9.218
13 HG LEU 2 HG LEU 2 -3.653 -10.053 9.334
14 HD11 LEU 2 1HD1 LEU 2 -1.224 -9.782 9.625
15 HD12 LEU 2 2HD1 LEU 2 -1.984 -10.232 11.150
16 HD13 LEU 2 3HD1 LEU 2 -1.502 -8.558 10.864
17 HD21 LEU 2 3HD2 LEU 2 -5.254 -8.907 10.611
18 HD22 LEU 2 1HD2 LEU 2 -4.113 -7.659 11.114
19 HD23 LEU 2 2HD2 LEU 2 -4.032 -9.272 11.824
20 H TYR 3 H TYR 3 -4.703 -5.228 8.354
21 HA TYR 3 HA TYR 3 -5.035 -4.508 5.636
22 HB2 TYR 3 1HB TYR 3 -5.621 -3.155 7.742
23 HB3 TYR 3 2HB TYR 3 -3.920 -2.692 7.775
24 HD1 TYR 3 HD2 TYR 3 -6.865 -2.835 5.461
25 HD2 TYR 3 HD1 TYR 3 -3.204 -0.847 6.504
26 HE1 TYR 3 HE2 TYR 3 -7.316 -1.105 3.744
27 HE2 TYR 3 HE1 TYR 3 -3.657 0.885 4.783
28 HH TYR 3 HH TYR 3 -6.036 1.765 3.645
29 H GLU 4 H GLU 4 -3.597 -4.070 4.060
30 HA GLU 4 HA GLU 4 -0.927 -4.966 4.265
31 HB2 GLU 4 1HB GLU 4 -2.287 -4.868 2.160
32 HB3 GLU 4 2HB GLU 4 -2.068 -3.119 2.160
33 HG2 GLU 4 1HG GLU 4 -0.364 -4.033 0.735
34 HG3 GLU 4 2HG GLU 4 0.436 -3.533 2.220
35 H ASN 5 H ASN 5 -2.369 -1.778 4.620
36 HA ASN 5 HA ASN 5 -1.495 0.224 5.334
37 HB2 ASN 5 1HB ASN 5 -0.546 -1.253 7.146
38 HB3 ASN 5 2HB ASN 5 0.934 -1.355 6.194
39 HD21 ASN 5 2HD2 ASN 5 0.966 -0.151 8.774
40 HD22 ASN 5 1HD2 ASN 5 1.251 1.512 8.588
41 H LYS 6 H LYS 6 -1.392 0.760 3.052
42 HA LYS 6 HA LYS 6 0.683 0.379 1.306
43 HB2 LYS 6 1HB LYS 6 -0.844 2.954 1.701
44 HB3 LYS 6 2HB LYS 6 0.048 2.502 0.254
45 HG2 LYS 6 1HG LYS 6 -2.286 0.931 1.401
46 HG3 LYS 6 2HG LYS 6 -2.411 2.068 0.059
47 HD2 LYS 6 1HD LYS 6 -0.488 0.594 -0.997
48 HD3 LYS 6 2HD LYS 6 -1.058 -0.622 0.145
49 HE2 LYS 6 1HE LYS 6 -3.418 -0.111 -0.790
50 HE3 LYS 6 2HE LYS 6 -2.567 0.666 -2.125
51 HZ1 LYS 6 3HZ LYS 6 -1.784 -1.293 -2.891
52 HZ2 LYS 6 1HZ LYS 6 -3.157 -1.907 -2.108
53 HZ3 LYS 6 2HZ LYS 6 -1.642 -1.982 -1.345
54 HA PRO 7 HA PRO 7 3.930 2.867 3.136
55 HB2 PRO 7 1HB PRO 7 5.788 2.776 1.251
56 HB3 PRO 7 2HB PRO 7 5.186 1.244 1.921
57 HG2 PRO 7 1HG PRO 7 4.382 2.617 -0.618
58 HG3 PRO 7 2HG PRO 7 4.830 0.916 -0.363
59 HD2 PRO 7 1HD PRO 7 2.201 1.830 -0.401
60 HD3 PRO 7 2HD PRO 7 2.736 0.353 0.441
61 H ARG 8 H ARG 8 5.167 4.052 0.269
62 HA ARG 8 HA ARG 8 4.018 6.685 0.730
63 HB2 ARG 8 1HB ARG 8 6.460 6.432 0.330
64 HB3 ARG 8 2HB ARG 8 6.113 5.815 -1.281
65 HG2 ARG 8 1HG ARG 8 4.962 7.936 -1.836
66 HG3 ARG 8 2HG ARG 8 5.336 8.551 -0.229
67 HD2 ARG 8 1HD ARG 8 6.993 9.399 -1.788
68 HD3 ARG 8 2HD ARG 8 7.763 8.229 -0.721
69 HE ARG 8 HE ARG 8 6.843 6.893 -3.035
70 HH11 ARG 8 1HH2 ARG 8 9.179 9.220 -1.989
71 HH12 ARG 8 2HH2 ARG 8 10.332 8.822 -3.217
72 HH21 ARG 8 1HH1 ARG 8 8.354 6.359 -4.649
73 HH22 ARG 8 2HH1 ARG 8 9.867 7.201 -4.721
74 H ARG 9 H ARG 9 4.860 5.839 -2.500
75 HA ARG 9 HA ARG 9 2.065 6.172 -3.349
76 HB2 ARG 9 1HB ARG 9 4.737 6.407 -4.716
77 HB3 ARG 9 2HB ARG 9 3.276 6.159 -5.673
78 HG2 ARG 9 1HG ARG 9 2.282 8.176 -4.847
79 HG3 ARG 9 2HG ARG 9 3.517 8.355 -3.604
80 HD2 ARG 9 1HD ARG 9 4.247 8.323 -6.530
81 HD3 ARG 9 2HD ARG 9 3.727 9.806 -5.737
82 HE ARG 9 HE ARG 9 5.799 8.533 -4.243
83 HH11 ARG 9 1HH2 ARG 9 5.125 10.366 -7.094
84 HH12 ARG 9 2HH2 ARG 9 6.691 11.102 -7.166
85 HH21 ARG 9 1HH1 ARG 9 7.861 9.494 -4.321
86 HH22 ARG 9 2HH1 ARG 9 8.238 10.616 -5.587
87 HA PRO 10 HA PRO 10 2.168 1.612 -3.336
88 HB2 PRO 10 1HB PRO 10 -0.378 1.949 -4.879
89 HB3 PRO 10 2HB PRO 10 -0.053 0.964 -3.442
90 HG2 PRO 10 1HG PRO 10 -1.423 3.286 -3.335
91 HG3 PRO 10 2HG PRO 10 -0.415 2.705 -2.004
92 HD2 PRO 10 1HD PRO 10 0.103 4.934 -3.910
93 HD3 PRO 10 2HD PRO 10 0.708 4.692 -2.256
94 H TYR 11 H TYR 11 1.207 0.068 -5.362
95 HA TYR 11 HA TYR 11 3.183 0.044 -7.297
96 HB2 TYR 11 1HB TYR 11 1.639 -1.839 -6.848
97 HB3 TYR 11 2HB TYR 11 0.335 -0.935 -7.619
98 HD1 TYR 11 HD1 TYR 11 3.694 -2.439 -8.207
99 HD2 TYR 11 HD2 TYR 11 0.121 -0.853 -9.987
100 HE1 TYR 11 HE1 TYR 11 4.447 -3.237 -10.430
101 HE2 TYR 11 HE2 TYR 11 0.874 -1.653 -12.209
102 HH TYR 11 HH TYR 11 3.941 -2.470 -12.921
103 H ILE 12 H ILE 12 0.564 2.218 -7.019
104 HA ILE 12 HA ILE 12 0.221 2.812 -9.792
105 HB ILE 12 HB ILE 12 -0.929 4.854 -8.985
106 HG12 ILE 12 1HG1 ILE 12 -0.204 3.850 -6.216
107 HG13 ILE 12 2HG1 ILE 12 0.583 5.217 -7.001
108 HG21 ILE 12 1HG2 ILE 12 -2.702 3.645 -7.707
109 HG22 ILE 12 2HG2 ILE 12 -1.605 2.272 -7.550
110 HG23 ILE 12 3HG2 ILE 12 -2.174 2.768 -9.142
111 HD11 ILE 12 3HD1 ILE 12 -1.617 6.345 -7.208
112 HD12 ILE 12 1HD1 ILE 12 -1.196 6.021 -5.527
113 HD13 ILE 12 2HD1 ILE 12 -2.370 4.997 -6.354
114 H LEU 13 H LEU 13 1.217 4.268 -11.079
115 HA LEU 13 HA LEU 13 3.350 5.970 -9.935
116 HB2 LEU 13 1HB LEU 13 3.604 4.168 -12.359
117 HB3 LEU 13 2HB LEU 13 4.808 5.343 -11.839
118 HG LEU 13 HG LEU 13 3.826 3.057 -10.102
119 HD11 LEU 13 1HD1 LEU 13 5.043 2.333 -12.199
120 HD12 LEU 13 2HD1 LEU 13 5.845 1.875 -10.697
121 HD13 LEU 13 3HD1 LEU 13 6.436 3.251 -11.629
122 HD21 LEU 13 3HD2 LEU 13 5.977 5.167 -9.841
123 HD22 LEU 13 1HD2 LEU 13 6.123 3.632 -8.987
124 HD23 LEU 13 2HD2 LEU 13 4.757 4.691 -8.663
Start of MODEL 26
1 H1 GLU 1 1H GLU 1 -8.452 -11.965 7.383
2 H2 GLU 1 2H GLU 1 -7.891 -11.574 8.937
3 H3 GLU 1 3H GLU 1 -7.493 -13.071 8.240
4 HA GLU 1 HA GLU 1 -5.560 -11.846 7.963
5 HB2 GLU 1 1HB GLU 1 -6.383 -12.898 5.860
6 HB3 GLU 1 2HB GLU 1 -7.196 -11.386 5.449
7 HG2 GLU 1 1HG GLU 1 -5.044 -10.204 5.458
8 HG3 GLU 1 2HG GLU 1 -4.216 -11.690 5.918
9 H LEU 2 H LEU 2 -4.787 -9.965 8.680
10 HA LEU 2 HA LEU 2 -6.425 -7.596 8.780
11 HB2 LEU 2 1HB LEU 2 -3.501 -8.013 9.453
12 HB3 LEU 2 2HB LEU 2 -4.436 -6.567 9.830
13 HG LEU 2 HG LEU 2 -5.110 -9.357 10.813
14 HD11 LEU 2 1HD1 LEU 2 -3.905 -7.027 12.334
15 HD12 LEU 2 2HD1 LEU 2 -2.984 -8.412 11.747
16 HD13 LEU 2 3HD1 LEU 2 -4.237 -8.640 12.965
17 HD21 LEU 2 3HD2 LEU 2 -6.472 -7.803 12.473
18 HD22 LEU 2 1HD2 LEU 2 -7.140 -8.192 10.891
19 HD23 LEU 2 2HD2 LEU 2 -6.359 -6.634 11.157
20 H TYR 3 H TYR 3 -6.219 -5.721 7.609
21 HA TYR 3 HA TYR 3 -4.999 -5.973 4.995
22 HB2 TYR 3 1HB TYR 3 -6.506 -3.704 6.317
23 HB3 TYR 3 2HB TYR 3 -5.955 -3.697 4.641
24 HD1 TYR 3 HD2 TYR 3 -6.806 -5.459 3.046
25 HD2 TYR 3 HD1 TYR 3 -8.467 -4.895 6.966
26 HE1 TYR 3 HE2 TYR 3 -8.828 -6.727 2.372
27 HE2 TYR 3 HE1 TYR 3 -10.490 -6.162 6.292
28 HH TYR 3 HH TYR 3 -10.692 -7.758 3.142
29 H GLU 4 H GLU 4 -3.175 -5.001 4.265
30 HA GLU 4 HA GLU 4 -1.421 -3.751 6.259
31 HB2 GLU 4 1HB GLU 4 -0.919 -4.672 3.416
32 HB3 GLU 4 2HB GLU 4 0.306 -3.982 4.482
33 HG2 GLU 4 1HG GLU 4 -1.315 -6.464 5.117
34 HG3 GLU 4 2HG GLU 4 0.324 -6.482 4.471
35 H ASN 5 H ASN 5 -0.862 -1.647 6.256
36 HA ASN 5 HA ASN 5 -2.359 0.177 4.603
37 HB2 ASN 5 1HB ASN 5 -0.212 0.579 6.691
38 HB3 ASN 5 2HB ASN 5 -0.990 1.908 5.835
39 HD21 ASN 5 2HD2 ASN 5 -1.259 1.595 8.674
40 HD22 ASN 5 1HD2 ASN 5 -2.878 1.211 9.012
41 H LYS 6 H LYS 6 -1.620 1.483 2.965
42 HA LYS 6 HA LYS 6 0.310 0.563 1.219
43 HB2 LYS 6 1HB LYS 6 0.065 3.524 1.223
44 HB3 LYS 6 2HB LYS 6 -0.292 2.368 -0.063
45 HG2 LYS 6 1HG LYS 6 -2.383 1.737 1.261
46 HG3 LYS 6 2HG LYS 6 -2.068 3.162 2.249
47 HD2 LYS 6 1HD LYS 6 -2.367 3.201 -0.770
48 HD3 LYS 6 2HD LYS 6 -3.652 3.613 0.363
49 HE2 LYS 6 1HE LYS 6 -1.983 5.321 1.350
50 HE3 LYS 6 2HE LYS 6 -1.055 5.071 -0.128
51 HZ1 LYS 6 3HZ LYS 6 -3.567 6.442 0.263
52 HZ2 LYS 6 1HZ LYS 6 -3.531 5.418 -1.087
53 HZ3 LYS 6 2HZ LYS 6 -2.382 6.660 -0.935
54 HA PRO 7 HA PRO 7 4.094 2.117 3.028
55 HB2 PRO 7 1HB PRO 7 5.764 2.092 0.985
56 HB3 PRO 7 2HB PRO 7 4.840 0.612 1.310
57 HG2 PRO 7 1HG PRO 7 4.262 2.778 -0.675
58 HG3 PRO 7 2HG PRO 7 4.317 1.018 -0.935
59 HD2 PRO 7 1HD PRO 7 1.979 2.437 -0.416
60 HD3 PRO 7 2HD PRO 7 2.184 0.701 -0.078
61 H ARG 8 H ARG 8 5.756 3.763 0.882
62 HA ARG 8 HA ARG 8 4.755 6.350 1.751
63 HB2 ARG 8 1HB ARG 8 7.169 6.054 1.794
64 HB3 ARG 8 2HB ARG 8 7.176 5.552 0.107
65 HG2 ARG 8 1HG ARG 8 7.909 7.897 0.343
66 HG3 ARG 8 2HG ARG 8 6.410 7.806 -0.572
67 HD2 ARG 8 1HD ARG 8 5.116 8.565 1.268
68 HD3 ARG 8 2HD ARG 8 6.421 8.261 2.414
69 HE ARG 8 HE ARG 8 7.531 10.113 0.805
70 HH11 ARG 8 1HH2 ARG 8 4.430 9.883 2.322
71 HH12 ARG 8 2HH2 ARG 8 4.214 11.595 2.457
72 HH21 ARG 8 1HH1 ARG 8 7.257 12.363 0.979
73 HH22 ARG 8 2HH1 ARG 8 5.816 12.999 1.698
74 H ARG 9 H ARG 9 6.092 5.669 -1.407
75 HA ARG 9 HA ARG 9 3.710 6.842 -2.661
76 HB2 ARG 9 1HB ARG 9 5.164 6.855 -4.733
77 HB3 ARG 9 2HB ARG 9 5.707 7.899 -3.424
78 HG2 ARG 9 1HG ARG 9 7.209 5.922 -2.705
79 HG3 ARG 9 2HG ARG 9 6.853 5.236 -4.287
80 HD2 ARG 9 1HD ARG 9 7.577 7.549 -5.215
81 HD3 ARG 9 2HD ARG 9 8.309 7.788 -3.631
82 HE ARG 9 HE ARG 9 9.325 6.138 -5.725
83 HH11 ARG 9 1HH2 ARG 9 8.922 6.368 -2.294
84 HH12 ARG 9 2HH2 ARG 9 10.291 5.373 -1.928
85 HH21 ARG 9 1HH1 ARG 9 11.123 4.834 -5.251
86 HH22 ARG 9 2HH1 ARG 9 11.538 4.505 -3.603
87 HA PRO 10 HA PRO 10 2.969 2.421 -3.390
88 HB2 PRO 10 1HB PRO 10 0.350 2.552 -4.159
89 HB3 PRO 10 2HB PRO 10 0.859 2.662 -2.462
90 HG2 PRO 10 1HG PRO 10 0.108 4.846 -4.354
91 HG3 PRO 10 2HG PRO 10 -0.309 4.648 -2.641
92 HD2 PRO 10 1HD PRO 10 1.697 6.307 -3.515
93 HD3 PRO 10 2HD PRO 10 1.710 5.537 -1.910
94 H TYR 11 H TYR 11 2.689 1.090 -5.271
95 HA TYR 11 HA TYR 11 3.755 2.122 -7.649
96 HB2 TYR 11 1HB TYR 11 2.117 -0.387 -7.211
97 HB3 TYR 11 2HB TYR 11 3.068 -0.037 -8.655
98 HD1 TYR 11 HD2 TYR 11 3.217 -0.805 -5.049
99 HD2 TYR 11 HD1 TYR 11 5.497 -0.119 -8.623
100 HE1 TYR 11 HE2 TYR 11 5.244 -1.685 -3.924
101 HE2 TYR 11 HE1 TYR 11 7.525 -1.000 -7.499
102 HH TYR 11 HH TYR 11 8.404 -1.424 -5.364
103 H ILE 12 H ILE 12 2.835 3.551 -8.960
104 HA ILE 12 HA ILE 12 0.084 3.107 -9.889
105 HB ILE 12 HB ILE 12 -0.051 4.703 -7.971
106 HG12 ILE 12 1HG1 ILE 12 -0.569 6.067 -10.627
107 HG13 ILE 12 2HG1 ILE 12 -1.579 4.760 -10.007
108 HG21 ILE 12 1HG2 ILE 12 1.472 6.611 -9.754
109 HG22 ILE 12 2HG2 ILE 12 2.268 5.671 -8.494
110 HG23 ILE 12 3HG2 ILE 12 1.011 6.833 -8.066
111 HD11 ILE 12 3HD1 ILE 12 -1.074 7.445 -8.695
112 HD12 ILE 12 1HD1 ILE 12 -1.926 6.113 -7.914
113 HD13 ILE 12 2HD1 ILE 12 -2.597 6.862 -9.364
114 H LEU 13 H LEU 13 -0.174 3.598 -12.012
115 HA LEU 13 HA LEU 13 1.596 5.437 -13.369
116 HB2 LEU 13 1HB LEU 13 2.658 3.906 -14.845
117 HB3 LEU 13 2HB LEU 13 2.892 3.260 -13.223
118 HG LEU 13 HG LEU 13 0.865 2.334 -15.282
119 HD11 LEU 13 1HD1 LEU 13 3.259 1.569 -15.477
120 HD12 LEU 13 2HD1 LEU 13 2.104 0.262 -15.219
121 HD13 LEU 13 3HD1 LEU 13 3.096 0.840 -13.880
122 HD21 LEU 13 3HD2 LEU 13 0.411 0.568 -13.443
123 HD22 LEU 13 1HD2 LEU 13 -0.296 2.166 -13.214
124 HD23 LEU 13 2HD2 LEU 13 1.166 1.714 -12.336
Start of MODEL 27
1 H1 GLU 1 1H GLU 1 -8.231 -9.980 8.513
2 H2 GLU 1 2H GLU 1 -9.713 -9.209 8.205
3 H3 GLU 1 3H GLU 1 -8.291 -8.291 8.370
4 HA GLU 1 HA GLU 1 -8.701 -10.299 6.231
5 HB2 GLU 1 1HB GLU 1 -9.137 -8.361 4.754
6 HB3 GLU 1 2HB GLU 1 -10.356 -8.484 6.022
7 HG2 GLU 1 1HG GLU 1 -9.090 -6.814 7.364
8 HG3 GLU 1 2HG GLU 1 -7.944 -6.646 6.034
9 H LEU 2 H LEU 2 -7.381 -8.428 4.414
10 HA LEU 2 HA LEU 2 -4.667 -9.147 4.969
11 HB2 LEU 2 1HB LEU 2 -5.766 -7.255 2.877
12 HB3 LEU 2 2HB LEU 2 -4.155 -7.966 2.891
13 HG LEU 2 HG LEU 2 -6.749 -9.535 2.742
14 HD11 LEU 2 1HD1 LEU 2 -6.095 -9.962 0.409
15 HD12 LEU 2 2HD1 LEU 2 -4.660 -8.959 0.617
16 HD13 LEU 2 3HD1 LEU 2 -6.262 -8.227 0.692
17 HD21 LEU 2 3HD2 LEU 2 -4.971 -11.333 2.000
18 HD22 LEU 2 1HD2 LEU 2 -5.202 -11.013 3.717
19 HD23 LEU 2 2HD2 LEU 2 -3.831 -10.302 2.866
20 H TYR 3 H TYR 3 -2.929 -7.834 5.485
21 HA TYR 3 HA TYR 3 -3.552 -5.533 7.117
22 HB2 TYR 3 1HB TYR 3 -0.940 -6.844 6.336
23 HB3 TYR 3 2HB TYR 3 -1.058 -5.461 7.425
24 HD1 TYR 3 HD2 TYR 3 -2.045 -9.015 6.953
25 HD2 TYR 3 HD1 TYR 3 -1.780 -5.713 9.689
26 HE1 TYR 3 HE2 TYR 3 -2.548 -10.540 8.844
27 HE2 TYR 3 HE1 TYR 3 -2.281 -7.238 11.579
28 HH TYR 3 HH TYR 3 -1.988 -10.441 11.480
29 H GLU 4 H GLU 4 -3.211 -3.410 6.652
30 HA GLU 4 HA GLU 4 -2.829 -2.695 3.861
31 HB2 GLU 4 1HB GLU 4 -3.352 -1.038 6.343
32 HB3 GLU 4 2HB GLU 4 -3.236 -0.373 4.718
33 HG2 GLU 4 1HG GLU 4 -5.548 -0.682 4.976
34 HG3 GLU 4 2HG GLU 4 -5.067 -2.138 4.112
35 H ASN 5 H ASN 5 -1.590 -0.613 6.344
36 HA ASN 5 HA ASN 5 0.480 0.324 6.670
37 HB2 ASN 5 1HB ASN 5 0.903 -2.002 7.483
38 HB3 ASN 5 2HB ASN 5 1.505 -2.407 5.875
39 HD21 ASN 5 2HD2 ASN 5 3.298 -2.629 8.014
40 HD22 ASN 5 1HD2 ASN 5 4.441 -1.378 7.933
41 H LYS 6 H LYS 6 -0.635 0.811 4.128
42 HA LYS 6 HA LYS 6 1.020 0.285 1.940
43 HB2 LYS 6 1HB LYS 6 -0.949 2.426 2.648
44 HB3 LYS 6 2HB LYS 6 0.113 2.749 1.279
45 HG2 LYS 6 1HG LYS 6 -1.987 1.675 0.541
46 HG3 LYS 6 2HG LYS 6 -0.601 0.628 0.227
47 HD2 LYS 6 1HD LYS 6 -1.111 -0.789 2.055
48 HD3 LYS 6 2HD LYS 6 -2.202 0.393 2.774
49 HE2 LYS 6 1HE LYS 6 -3.420 -1.475 1.656
50 HE3 LYS 6 2HE LYS 6 -3.793 0.098 0.952
51 HZ1 LYS 6 3HZ LYS 6 -3.190 -1.891 -0.572
52 HZ2 LYS 6 1HZ LYS 6 -1.591 -1.501 -0.160
53 HZ3 LYS 6 2HZ LYS 6 -2.577 -0.345 -0.922
54 HA PRO 7 HA PRO 7 4.467 2.988 2.855
55 HB2 PRO 7 1HB PRO 7 5.719 3.077 0.530
56 HB3 PRO 7 2HB PRO 7 5.343 1.476 1.199
57 HG2 PRO 7 1HG PRO 7 3.815 3.054 -0.841
58 HG3 PRO 7 2HG PRO 7 4.378 1.366 -0.935
59 HD2 PRO 7 1HD PRO 7 1.829 2.081 -0.118
60 HD3 PRO 7 2HD PRO 7 2.645 0.583 0.399
61 H ARG 8 H ARG 8 5.316 4.708 0.413
62 HA ARG 8 HA ARG 8 3.620 6.975 1.061
63 HB2 ARG 8 1HB ARG 8 6.069 7.291 0.826
64 HB3 ARG 8 2HB ARG 8 5.968 6.768 -0.853
65 HG2 ARG 8 1HG ARG 8 4.441 8.653 -1.342
66 HG3 ARG 8 2HG ARG 8 4.564 9.179 0.338
67 HD2 ARG 8 1HD ARG 8 6.954 8.872 -1.494
68 HD3 ARG 8 2HD ARG 8 6.110 10.399 -1.246
69 HE ARG 8 HE ARG 8 6.774 9.377 1.279
70 HH11 ARG 8 1HH2 ARG 8 8.311 10.504 -1.612
71 HH12 ARG 8 2HH2 ARG 8 9.711 11.113 -0.793
72 HH21 ARG 8 1HH1 ARG 8 8.607 10.168 2.355
73 HH22 ARG 8 2HH1 ARG 8 9.884 10.913 1.452
74 H ARG 9 H ARG 9 4.837 6.480 -2.159
75 HA ARG 9 HA ARG 9 2.087 6.464 -3.211
76 HB2 ARG 9 1HB ARG 9 3.810 8.155 -4.024
77 HB3 ARG 9 2HB ARG 9 4.662 6.797 -4.757
78 HG2 ARG 9 1HG ARG 9 2.761 6.260 -6.148
79 HG3 ARG 9 2HG ARG 9 1.750 7.434 -5.304
80 HD2 ARG 9 1HD ARG 9 2.702 8.191 -7.548
81 HD3 ARG 9 2HD ARG 9 2.972 9.276 -6.188
82 HE ARG 9 HE ARG 9 5.145 7.450 -6.473
83 HH11 ARG 9 1HH2 ARG 9 3.670 10.276 -7.816
84 HH12 ARG 9 2HH2 ARG 9 5.147 10.909 -8.464
85 HH21 ARG 9 1HH1 ARG 9 7.088 8.274 -7.316
86 HH22 ARG 9 2HH1 ARG 9 7.082 9.775 -8.178
87 HA PRO 10 HA PRO 10 3.088 2.006 -3.484
88 HB2 PRO 10 1HB PRO 10 0.462 1.908 -4.921
89 HB3 PRO 10 2HB PRO 10 1.040 0.926 -3.561
90 HG2 PRO 10 1HG PRO 10 -0.774 2.871 -3.230
91 HG3 PRO 10 2HG PRO 10 0.440 2.498 -1.995
92 HD2 PRO 10 1HD PRO 10 0.341 4.806 -3.901
93 HD3 PRO 10 2HD PRO 10 0.980 4.726 -2.245
94 H TYR 11 H TYR 11 3.944 0.771 -5.142
95 HA TYR 11 HA TYR 11 5.019 1.845 -7.388
96 HB2 TYR 11 1HB TYR 11 5.512 -0.435 -6.611
97 HB3 TYR 11 2HB TYR 11 3.926 -0.971 -7.166
98 HD1 TYR 11 HD1 TYR 11 7.137 0.541 -8.312
99 HD2 TYR 11 HD2 TYR 11 3.556 -1.547 -9.439
100 HE1 TYR 11 HE1 TYR 11 8.054 0.200 -10.589
101 HE2 TYR 11 HE2 TYR 11 4.473 -1.887 -11.718
102 HH TYR 11 HH TYR 11 6.256 -1.674 -13.028
103 H ILE 12 H ILE 12 1.705 0.821 -6.965
104 HA ILE 12 HA ILE 12 1.020 0.954 -9.759
105 HB ILE 12 HB ILE 12 -0.700 0.888 -7.269
106 HG12 ILE 12 1HG1 ILE 12 -0.089 -1.287 -9.294
107 HG13 ILE 12 2HG1 ILE 12 0.794 -1.103 -7.779
108 HG21 ILE 12 1HG2 ILE 12 -1.351 0.810 -10.221
109 HG22 ILE 12 2HG2 ILE 12 -2.078 1.810 -8.965
110 HG23 ILE 12 3HG2 ILE 12 -2.426 0.085 -9.027
111 HD11 ILE 12 3HD1 ILE 12 -2.155 -1.695 -8.135
112 HD12 ILE 12 1HD1 ILE 12 -1.450 -1.222 -6.588
113 HD13 ILE 12 2HD1 ILE 12 -0.937 -2.716 -7.370
114 H LEU 13 H LEU 13 0.462 2.688 -10.906
115 HA LEU 13 HA LEU 13 0.180 5.281 -9.531
116 HB2 LEU 13 1HB LEU 13 1.889 5.200 -11.258
117 HB3 LEU 13 2HB LEU 13 0.729 4.574 -12.427
118 HG LEU 13 HG LEU 13 -0.549 6.661 -12.330
119 HD11 LEU 13 1HD1 LEU 13 0.644 8.596 -11.030
120 HD12 LEU 13 2HD1 LEU 13 1.402 7.294 -10.116
121 HD13 LEU 13 3HD1 LEU 13 -0.354 7.462 -10.122
122 HD21 LEU 13 3HD2 LEU 13 2.421 7.204 -12.622
123 HD22 LEU 13 1HD2 LEU 13 1.115 8.146 -13.343
124 HD23 LEU 13 2HD2 LEU 13 1.402 6.487 -13.869
Start of MODEL 28
1 H1 GLU 1 1H GLU 1 -7.803 -12.176 9.165
2 H2 GLU 1 2H GLU 1 -6.232 -11.532 9.053
3 H3 GLU 1 3H GLU 1 -7.110 -11.893 7.644
4 HA GLU 1 HA GLU 1 -8.356 -10.034 7.740
5 HB2 GLU 1 1HB GLU 1 -8.964 -8.957 9.909
6 HB3 GLU 1 2HB GLU 1 -9.456 -10.648 9.829
7 HG2 GLU 1 1HG GLU 1 -7.431 -11.298 11.080
8 HG3 GLU 1 2HG GLU 1 -6.936 -9.609 11.159
9 H LEU 2 H LEU 2 -5.599 -10.233 7.274
10 HA LEU 2 HA LEU 2 -4.179 -8.175 8.712
11 HB2 LEU 2 1HB LEU 2 -3.524 -9.617 6.130
12 HB3 LEU 2 2HB LEU 2 -2.419 -8.569 7.013
13 HG LEU 2 HG LEU 2 -3.705 -11.049 8.198
14 HD11 LEU 2 1HD1 LEU 2 -2.234 -11.708 6.372
15 HD12 LEU 2 2HD1 LEU 2 -1.426 -12.055 7.902
16 HD13 LEU 2 3HD1 LEU 2 -0.966 -10.636 6.961
17 HD21 LEU 2 3HD2 LEU 2 -1.623 -10.704 9.759
18 HD22 LEU 2 1HD2 LEU 2 -3.042 -9.692 10.008
19 HD23 LEU 2 2HD2 LEU 2 -1.642 -9.052 9.146
20 H TYR 3 H TYR 3 -4.298 -6.067 8.360
21 HA TYR 3 HA TYR 3 -5.777 -5.011 6.107
22 HB2 TYR 3 1HB TYR 3 -6.013 -3.977 8.308
23 HB3 TYR 3 2HB TYR 3 -4.286 -3.623 8.345
24 HD1 TYR 3 HD1 TYR 3 -7.408 -2.989 6.401
25 HD2 TYR 3 HD2 TYR 3 -3.436 -1.653 7.337
26 HE1 TYR 3 HE1 TYR 3 -7.819 -0.894 5.144
27 HE2 TYR 3 HE2 TYR 3 -3.844 0.446 6.077
28 HH TYR 3 HH TYR 3 -6.741 0.889 4.145
29 H GLU 4 H GLU 4 -4.964 -4.019 4.314
30 HA GLU 4 HA GLU 4 -2.204 -4.465 3.675
31 HB2 GLU 4 1HB GLU 4 -4.413 -3.000 2.224
32 HB3 GLU 4 2HB GLU 4 -2.785 -3.194 1.573
33 HG2 GLU 4 1HG GLU 4 -3.008 -5.639 1.710
34 HG3 GLU 4 2HG GLU 4 -4.618 -5.462 2.408
35 H ASN 5 H ASN 5 -0.558 -3.232 4.235
36 HA ASN 5 HA ASN 5 -1.026 -0.441 5.078
37 HB2 ASN 5 1HB ASN 5 0.211 -2.036 6.583
38 HB3 ASN 5 2HB ASN 5 1.482 -2.104 5.364
39 HD21 ASN 5 2HD2 ASN 5 2.991 -1.059 6.906
40 HD22 ASN 5 1HD2 ASN 5 2.878 0.607 7.208
41 H LYS 6 H LYS 6 -0.957 0.897 3.360
42 HA LYS 6 HA LYS 6 0.621 0.483 1.036
43 HB2 LYS 6 1HB LYS 6 -0.824 2.868 2.182
44 HB3 LYS 6 2HB LYS 6 0.133 3.009 0.708
45 HG2 LYS 6 1HG LYS 6 -1.218 1.323 -0.397
46 HG3 LYS 6 2HG LYS 6 -2.084 0.973 1.101
47 HD2 LYS 6 1HD LYS 6 -2.859 3.375 1.116
48 HD3 LYS 6 2HD LYS 6 -2.146 3.553 -0.487
49 HE2 LYS 6 1HE LYS 6 -4.218 1.447 0.189
50 HE3 LYS 6 2HE LYS 6 -4.615 3.026 -0.493
51 HZ1 LYS 6 3HZ LYS 6 -4.173 0.965 -2.023
52 HZ2 LYS 6 1HZ LYS 6 -2.553 1.420 -1.813
53 HZ3 LYS 6 2HZ LYS 6 -3.662 2.518 -2.483
54 HA PRO 7 HA PRO 7 4.396 2.277 2.620
55 HB2 PRO 7 1HB PRO 7 5.839 2.524 0.416
56 HB3 PRO 7 2HB PRO 7 5.164 0.923 0.789
57 HG2 PRO 7 1HG PRO 7 4.046 3.036 -1.021
58 HG3 PRO 7 2HG PRO 7 4.380 1.326 -1.392
59 HD2 PRO 7 1HD PRO 7 1.892 2.216 -0.613
60 HD3 PRO 7 2HD PRO 7 2.489 0.574 -0.253
61 H ARG 8 H ARG 8 5.670 4.194 0.474
62 HA ARG 8 HA ARG 8 4.362 6.589 1.476
63 HB2 ARG 8 1HB ARG 8 6.851 6.506 1.274
64 HB3 ARG 8 2HB ARG 8 6.677 6.340 -0.474
65 HG2 ARG 8 1HG ARG 8 5.438 8.498 -0.529
66 HG3 ARG 8 2HG ARG 8 5.705 8.670 1.204
67 HD2 ARG 8 1HD ARG 8 7.929 8.379 -0.830
68 HD3 ARG 8 2HD ARG 8 7.357 9.926 -0.217
69 HE ARG 8 HE ARG 8 8.003 8.275 1.977
70 HH11 ARG 8 1HH2 ARG 8 9.466 9.934 -0.686
71 HH12 ARG 8 2HH2 ARG 8 10.977 10.180 0.122
72 HH21 ARG 8 1HH1 ARG 8 9.984 8.602 3.042
73 HH22 ARG 8 2HH1 ARG 8 11.264 9.443 2.237
74 H ARG 9 H ARG 9 5.525 6.012 -1.794
75 HA ARG 9 HA ARG 9 2.931 6.911 -2.875
76 HB2 ARG 9 1HB ARG 9 5.741 6.830 -3.970
77 HB3 ARG 9 2HB ARG 9 4.353 6.934 -5.056
78 HG2 ARG 9 1HG ARG 9 3.608 8.986 -4.020
79 HG3 ARG 9 2HG ARG 9 4.824 8.845 -2.753
80 HD2 ARG 9 1HD ARG 9 6.616 9.122 -4.372
81 HD3 ARG 9 2HD ARG 9 5.459 9.131 -5.702
82 HE ARG 9 HE ARG 9 4.721 11.172 -3.932
83 HH11 ARG 9 1HH2 ARG 9 7.345 10.286 -6.009
84 HH12 ARG 9 2HH2 ARG 9 7.810 11.922 -6.342
85 HH21 ARG 9 1HH1 ARG 9 5.328 13.313 -4.360
86 HH22 ARG 9 2HH1 ARG 9 6.663 13.636 -5.417
87 HA PRO 10 HA PRO 10 2.462 2.378 -3.284
88 HB2 PRO 10 1HB PRO 10 0.056 3.246 -4.860
89 HB3 PRO 10 2HB PRO 10 0.179 2.029 -3.574
90 HG2 PRO 10 1HG PRO 10 -0.896 4.440 -3.129
91 HG3 PRO 10 2HG PRO 10 0.056 3.600 -1.891
92 HD2 PRO 10 1HD PRO 10 0.817 5.943 -3.586
93 HD3 PRO 10 2HD PRO 10 1.335 5.522 -1.940
94 H TYR 11 H TYR 11 2.197 0.907 -5.240
95 HA TYR 11 HA TYR 11 3.979 1.726 -7.308
96 HB2 TYR 11 1HB TYR 11 2.159 -0.686 -7.133
97 HB3 TYR 11 2HB TYR 11 3.434 -0.456 -8.330
98 HD1 TYR 11 HD2 TYR 11 2.740 -0.999 -4.738
99 HD2 TYR 11 HD1 TYR 11 5.762 -0.624 -7.760
100 HE1 TYR 11 HE2 TYR 11 4.443 -1.845 -3.142
101 HE2 TYR 11 HE1 TYR 11 7.465 -1.475 -6.173
102 HH TYR 11 HH TYR 11 6.603 -2.916 -3.175
103 H ILE 12 H ILE 12 1.768 3.517 -7.170
104 HA ILE 12 HA ILE 12 -0.003 2.914 -9.392
105 HB ILE 12 HB ILE 12 -0.746 4.223 -7.394
106 HG12 ILE 12 1HG1 ILE 12 -0.809 5.813 -9.979
107 HG13 ILE 12 2HG1 ILE 12 -1.843 4.422 -9.651
108 HG21 ILE 12 1HG2 ILE 12 1.519 5.459 -7.280
109 HG22 ILE 12 2HG2 ILE 12 0.066 6.407 -6.972
110 HG23 ILE 12 3HG2 ILE 12 0.866 6.510 -8.537
111 HD11 ILE 12 3HD1 ILE 12 -3.123 6.370 -9.089
112 HD12 ILE 12 1HD1 ILE 12 -1.780 7.064 -8.181
113 HD13 ILE 12 2HD1 ILE 12 -2.625 5.646 -7.559
114 H LEU 13 H LEU 13 0.388 3.379 -11.448
115 HA LEU 13 HA LEU 13 2.478 5.377 -12.131
116 HB2 LEU 13 1HB LEU 13 1.911 2.745 -13.521
117 HB3 LEU 13 2HB LEU 13 3.133 3.925 -13.994
118 HG LEU 13 HG LEU 13 3.044 2.518 -11.310
119 HD11 LEU 13 1HD1 LEU 13 4.691 1.990 -13.800
120 HD12 LEU 13 2HD1 LEU 13 3.533 0.898 -13.040
121 HD13 LEU 13 3HD1 LEU 13 5.044 1.290 -12.220
122 HD21 LEU 13 3HD2 LEU 13 4.260 4.497 -10.947
123 HD22 LEU 13 1HD2 LEU 13 4.906 4.524 -12.587
124 HD23 LEU 13 2HD2 LEU 13 5.532 3.373 -11.406
Start of MODEL 29
1 H1 GLU 1 1H GLU 1 -5.266 -11.434 7.082
2 H2 GLU 1 2H GLU 1 -6.534 -10.680 6.238
3 H3 GLU 1 3H GLU 1 -6.709 -12.277 6.792
4 HA GLU 1 HA GLU 1 -7.920 -10.986 8.309
5 HB2 GLU 1 1HB GLU 1 -6.369 -12.659 9.321
6 HB3 GLU 1 2HB GLU 1 -5.146 -11.395 9.467
7 HG2 GLU 1 1HG GLU 1 -6.592 -10.099 10.936
8 HG3 GLU 1 2HG GLU 1 -7.901 -11.259 10.719
9 H LEU 2 H LEU 2 -4.598 -9.749 8.662
10 HA LEU 2 HA LEU 2 -5.486 -7.121 9.403
11 HB2 LEU 2 1HB LEU 2 -2.761 -8.195 8.634
12 HB3 LEU 2 2HB LEU 2 -3.048 -6.595 9.313
13 HG LEU 2 HG LEU 2 -4.185 -8.923 10.832
14 HD11 LEU 2 1HD1 LEU 2 -2.043 -9.379 11.943
15 HD12 LEU 2 2HD1 LEU 2 -1.229 -8.244 10.867
16 HD13 LEU 2 3HD1 LEU 2 -1.931 -9.725 10.218
17 HD21 LEU 2 3HD2 LEU 2 -3.485 -7.528 12.753
18 HD22 LEU 2 1HD2 LEU 2 -4.472 -6.601 11.621
19 HD23 LEU 2 2HD2 LEU 2 -2.721 -6.389 11.643
20 H TYR 3 H TYR 3 -5.522 -5.259 8.170
21 HA TYR 3 HA TYR 3 -5.682 -5.601 5.306
22 HB2 TYR 3 1HB TYR 3 -7.219 -4.088 6.521
23 HB3 TYR 3 2HB TYR 3 -5.848 -3.077 6.977
24 HD1 TYR 3 HD2 TYR 3 -7.703 -4.446 4.043
25 HD2 TYR 3 HD1 TYR 3 -4.980 -1.451 5.482
26 HE1 TYR 3 HE2 TYR 3 -7.863 -3.257 1.871
27 HE2 TYR 3 HE1 TYR 3 -5.148 -0.259 3.314
28 HH TYR 3 HH TYR 3 -6.482 -0.079 1.416
29 H GLU 4 H GLU 4 -4.171 -5.088 3.814
30 HA GLU 4 HA GLU 4 -1.477 -4.682 4.625
31 HB2 GLU 4 1HB GLU 4 -2.788 -4.491 1.900
32 HB3 GLU 4 2HB GLU 4 -1.049 -4.408 2.170
33 HG2 GLU 4 1HG GLU 4 -1.379 -6.678 1.680
34 HG3 GLU 4 2HG GLU 4 -1.367 -6.668 3.439
35 H ASN 5 H ASN 5 -0.454 -2.875 5.116
36 HA ASN 5 HA ASN 5 -1.768 -0.300 4.763
37 HB2 ASN 5 1HB ASN 5 0.847 -1.093 6.065
38 HB3 ASN 5 2HB ASN 5 0.209 0.549 6.032
39 HD21 ASN 5 2HD2 ASN 5 -2.610 -0.229 6.370
40 HD22 ASN 5 1HD2 ASN 5 -2.772 -0.800 7.961
41 H LYS 6 H LYS 6 -1.065 1.364 3.471
42 HA LYS 6 HA LYS 6 0.385 0.699 1.116
43 HB2 LYS 6 1HB LYS 6 -0.623 3.284 2.295
44 HB3 LYS 6 2HB LYS 6 0.335 3.275 0.812
45 HG2 LYS 6 1HG LYS 6 -1.292 2.025 -0.369
46 HG3 LYS 6 2HG LYS 6 -2.099 1.503 1.110
47 HD2 LYS 6 1HD LYS 6 -2.921 3.748 1.524
48 HD3 LYS 6 2HD LYS 6 -1.980 4.383 0.174
49 HE2 LYS 6 1HE LYS 6 -3.282 2.843 -1.348
50 HE3 LYS 6 2HE LYS 6 -4.319 2.462 0.028
51 HZ1 LYS 6 3HZ LYS 6 -5.004 4.351 -1.548
52 HZ2 LYS 6 1HZ LYS 6 -3.823 5.264 -0.741
53 HZ3 LYS 6 2HZ LYS 6 -5.128 4.606 0.127
54 HA PRO 7 HA PRO 7 4.427 1.808 2.681
55 HB2 PRO 7 1HB PRO 7 5.873 1.844 0.458
56 HB3 PRO 7 2HB PRO 7 4.976 0.365 0.858
57 HG2 PRO 7 1HG PRO 7 4.175 2.582 -0.995
58 HG3 PRO 7 2HG PRO 7 4.216 0.831 -1.309
59 HD2 PRO 7 1HD PRO 7 1.922 2.156 -0.534
60 HD3 PRO 7 2HD PRO 7 2.235 0.441 -0.159
61 H ARG 8 H ARG 8 5.604 3.470 0.084
62 HA ARG 8 HA ARG 8 5.150 6.059 1.341
63 HB2 ARG 8 1HB ARG 8 6.646 6.674 -0.831
64 HB3 ARG 8 2HB ARG 8 7.364 6.067 0.659
65 HG2 ARG 8 1HG ARG 8 7.363 3.791 -0.209
66 HG3 ARG 8 2HG ARG 8 6.509 4.312 -1.661
67 HD2 ARG 8 1HD ARG 8 9.237 5.331 -0.828
68 HD3 ARG 8 2HD ARG 8 8.970 4.059 -2.018
69 HE ARG 8 HE ARG 8 7.435 6.266 -2.796
70 HH11 ARG 8 1HH2 ARG 8 10.763 5.426 -2.308
71 HH12 ARG 8 2HH2 ARG 8 11.343 6.461 -3.570
72 HH21 ARG 8 1HH1 ARG 8 8.195 7.622 -4.437
73 HH22 ARG 8 2HH1 ARG 8 9.894 7.718 -4.762
74 H ARG 9 H ARG 9 5.462 5.697 -2.089
75 HA ARG 9 HA ARG 9 2.824 6.936 -2.499
76 HB2 ARG 9 1HB ARG 9 5.187 6.531 -4.347
77 HB3 ARG 9 2HB ARG 9 3.661 7.277 -4.824
78 HG2 ARG 9 1HG ARG 9 3.972 9.052 -3.171
79 HG3 ARG 9 2HG ARG 9 5.441 8.274 -2.580
80 HD2 ARG 9 1HD ARG 9 6.535 8.613 -4.733
81 HD3 ARG 9 2HD ARG 9 5.048 9.267 -5.415
82 HE ARG 9 HE ARG 9 5.704 10.807 -3.163
83 HH11 ARG 9 1HH2 ARG 9 6.920 10.019 -6.304
84 HH12 ARG 9 2HH2 ARG 9 7.725 11.536 -6.529
85 HH21 ARG 9 1HH1 ARG 9 6.761 12.801 -3.444
86 HH22 ARG 9 2HH1 ARG 9 7.638 13.110 -4.906
87 HA PRO 10 HA PRO 10 1.704 2.582 -3.294
88 HB2 PRO 10 1HB PRO 10 -0.817 3.841 -4.315
89 HB3 PRO 10 2HB PRO 10 -0.610 2.506 -3.165
90 HG2 PRO 10 1HG PRO 10 -1.312 4.965 -2.364
91 HG3 PRO 10 2HG PRO 10 -0.270 3.919 -1.381
92 HD2 PRO 10 1HD PRO 10 0.472 6.319 -3.009
93 HD3 PRO 10 2HD PRO 10 1.193 5.701 -1.505
94 H TYR 11 H TYR 11 1.774 1.336 -5.136
95 HA TYR 11 HA TYR 11 3.040 1.950 -7.393
96 HB2 TYR 11 1HB TYR 11 0.571 0.204 -7.282
97 HB3 TYR 11 2HB TYR 11 1.771 0.188 -8.574
98 HD1 TYR 11 HD1 TYR 11 4.115 -0.520 -8.107
99 HD2 TYR 11 HD2 TYR 11 1.009 -0.832 -5.156
100 HE1 TYR 11 HE1 TYR 11 5.523 -2.080 -6.788
101 HE2 TYR 11 HE2 TYR 11 2.419 -2.386 -3.836
102 HH TYR 11 HH TYR 11 5.758 -2.928 -4.586
103 H ILE 12 H ILE 12 2.659 4.114 -8.015
104 HA ILE 12 HA ILE 12 0.057 4.888 -9.056
105 HB ILE 12 HB ILE 12 1.535 6.499 -7.857
106 HG12 ILE 12 1HG1 ILE 12 1.106 7.257 -10.762
107 HG13 ILE 12 2HG1 ILE 12 -0.197 7.183 -9.575
108 HG21 ILE 12 1HG2 ILE 12 3.563 7.279 -8.854
109 HG22 ILE 12 2HG2 ILE 12 3.226 6.435 -10.366
110 HG23 ILE 12 3HG2 ILE 12 3.647 5.519 -8.919
111 HD11 ILE 12 3HD1 ILE 12 2.277 8.926 -9.389
112 HD12 ILE 12 1HD1 ILE 12 1.004 8.835 -8.170
113 HD13 ILE 12 2HD1 ILE 12 0.649 9.484 -9.772
114 H LEU 13 H LEU 13 2.890 3.386 -10.219
115 HA LEU 13 HA LEU 13 3.290 4.186 -12.781
116 HB2 LEU 13 1HB LEU 13 3.220 1.422 -11.589
117 HB3 LEU 13 2HB LEU 13 3.558 1.641 -13.302
118 HG LEU 13 HG LEU 13 5.615 1.535 -11.853
119 HD11 LEU 13 1HD1 LEU 13 5.577 4.305 -13.006
120 HD12 LEU 13 2HD1 LEU 13 5.284 2.949 -14.093
121 HD13 LEU 13 3HD1 LEU 13 6.781 3.030 -13.171
122 HD21 LEU 13 3HD2 LEU 13 4.724 4.262 -10.879
123 HD22 LEU 13 1HD2 LEU 13 6.155 3.365 -10.383
124 HD23 LEU 13 2HD2 LEU 13 4.556 2.782 -9.934
Start of MODEL 30
1 H1 GLU 1 1H GLU 1 -7.325 -2.517 2.365
2 H2 GLU 1 2H GLU 1 -6.683 -3.335 3.710
3 H3 GLU 1 3H GLU 1 -8.365 -3.221 3.503
4 HA GLU 1 HA GLU 1 -8.423 -5.045 2.275
5 HB2 GLU 1 1HB GLU 1 -7.731 -3.505 0.403
6 HB3 GLU 1 2HB GLU 1 -6.058 -3.953 0.727
7 HG2 GLU 1 1HG GLU 1 -6.845 -5.358 -1.064
8 HG3 GLU 1 2HG GLU 1 -6.723 -6.364 0.379
9 H LEU 2 H LEU 2 -4.921 -4.487 2.039
10 HA LEU 2 HA LEU 2 -4.331 -7.137 3.006
11 HB2 LEU 2 1HB LEU 2 -2.545 -4.758 2.428
12 HB3 LEU 2 2HB LEU 2 -1.961 -6.374 2.816
13 HG LEU 2 HG LEU 2 -3.809 -5.771 0.485
14 HD11 LEU 2 1HD1 LEU 2 -0.790 -6.030 0.594
15 HD12 LEU 2 2HD1 LEU 2 -1.719 -4.621 0.079
16 HD13 LEU 2 3HD1 LEU 2 -1.728 -6.089 -0.899
17 HD21 LEU 2 3HD2 LEU 2 -2.717 -8.034 -0.257
18 HD22 LEU 2 1HD2 LEU 2 -3.997 -8.079 0.947
19 HD23 LEU 2 2HD2 LEU 2 -2.312 -8.215 1.449
20 H TYR 3 H TYR 3 -3.437 -7.721 4.977
21 HA TYR 3 HA TYR 3 -4.259 -6.293 7.249
22 HB2 TYR 3 1HB TYR 3 -3.826 -8.687 7.343
23 HB3 TYR 3 2HB TYR 3 -2.121 -8.420 6.972
24 HD1 TYR 3 HD1 TYR 3 -4.763 -7.993 9.523
25 HD2 TYR 3 HD2 TYR 3 -0.582 -7.567 8.640
26 HE1 TYR 3 HE1 TYR 3 -4.287 -7.658 11.934
27 HE2 TYR 3 HE2 TYR 3 -0.106 -7.229 11.049
28 HH TYR 3 HH TYR 3 -1.386 -7.978 13.300
29 H GLU 4 H GLU 4 -1.044 -6.558 5.741
30 HA GLU 4 HA GLU 4 0.261 -4.862 7.617
31 HB2 GLU 4 1HB GLU 4 0.993 -5.658 4.789
32 HB3 GLU 4 2HB GLU 4 2.054 -4.753 5.870
33 HG2 GLU 4 1HG GLU 4 2.000 -6.582 7.501
34 HG3 GLU 4 2HG GLU 4 0.879 -7.479 6.479
35 H ASN 5 H ASN 5 0.641 -2.682 7.596
36 HA ASN 5 HA ASN 5 -1.157 -1.070 6.007
37 HB2 ASN 5 1HB ASN 5 0.970 -0.324 8.025
38 HB3 ASN 5 2HB ASN 5 -0.132 0.823 7.263
39 HD21 ASN 5 2HD2 ASN 5 0.241 -1.073 10.011
40 HD22 ASN 5 1HD2 ASN 5 -1.388 -1.177 10.480
41 H LYS 6 H LYS 6 -0.696 0.159 4.267
42 HA LYS 6 HA LYS 6 1.850 -0.238 2.943
43 HB2 LYS 6 1HB LYS 6 -0.077 1.768 1.846
44 HB3 LYS 6 2HB LYS 6 0.776 0.458 1.029
45 HG2 LYS 6 1HG LYS 6 -0.782 -1.134 2.346
46 HG3 LYS 6 2HG LYS 6 -1.761 0.302 2.656
47 HD2 LYS 6 1HD LYS 6 -1.844 0.720 0.189
48 HD3 LYS 6 2HD LYS 6 -0.996 -0.806 -0.061
49 HE2 LYS 6 1HE LYS 6 -2.806 -2.066 0.893
50 HE3 LYS 6 2HE LYS 6 -3.595 -0.598 1.475
51 HZ1 LYS 6 3HZ LYS 6 -3.607 -1.772 -1.162
52 HZ2 LYS 6 1HZ LYS 6 -3.349 -0.095 -1.147
53 HZ3 LYS 6 2HZ LYS 6 -4.740 -0.746 -0.421
54 HA PRO 7 HA PRO 7 3.480 3.694 4.289
55 HB2 PRO 7 1HB PRO 7 5.426 4.150 2.542
56 HB3 PRO 7 2HB PRO 7 5.435 2.619 3.443
57 HG2 PRO 7 1HG PRO 7 4.428 3.143 0.668
58 HG3 PRO 7 2HG PRO 7 5.533 1.868 1.229
59 HD2 PRO 7 1HD PRO 7 2.812 1.489 0.919
60 HD3 PRO 7 2HD PRO 7 3.806 0.560 2.068
61 H ARG 8 H ARG 8 4.452 4.887 1.320
62 HA ARG 8 HA ARG 8 2.250 6.796 1.229
63 HB2 ARG 8 1HB ARG 8 4.701 7.451 0.977
64 HB3 ARG 8 2HB ARG 8 4.658 6.671 -0.602
65 HG2 ARG 8 1HG ARG 8 2.849 8.162 -1.318
66 HG3 ARG 8 2HG ARG 8 2.802 8.902 0.283
67 HD2 ARG 8 1HD ARG 8 5.251 8.895 -1.498
68 HD3 ARG 8 2HD ARG 8 4.102 10.228 -1.415
69 HE ARG 8 HE ARG 8 4.928 9.633 1.203
70 HH11 ARG 8 1HH2 ARG 8 6.194 10.814 -1.794
71 HH12 ARG 8 2HH2 ARG 8 7.418 11.787 -1.050
72 HH21 ARG 8 1HH1 ARG 8 6.528 10.906 2.184
73 HH22 ARG 8 2HH1 ARG 8 7.609 11.840 1.201
74 H ARG 9 H ARG 9 3.469 6.387 -1.839
75 HA ARG 9 HA ARG 9 1.098 4.858 -2.673
76 HB2 ARG 9 1HB ARG 9 3.055 6.627 -4.145
77 HB3 ARG 9 2HB ARG 9 1.912 5.583 -4.987
78 HG2 ARG 9 1HG ARG 9 0.048 6.671 -3.746
79 HG3 ARG 9 2HG ARG 9 1.215 7.769 -3.008
80 HD2 ARG 9 1HD ARG 9 1.924 8.428 -5.347
81 HD3 ARG 9 2HD ARG 9 0.550 7.507 -5.947
82 HE ARG 9 HE ARG 9 -0.417 9.278 -4.009
83 HH11 ARG 9 1HH2 ARG 9 1.145 9.325 -7.094
84 HH12 ARG 9 2HH2 ARG 9 0.425 10.819 -7.594
85 HH21 ARG 9 1HH1 ARG 9 -1.360 11.244 -4.650
86 HH22 ARG 9 2HH1 ARG 9 -0.984 11.912 -6.205
87 HA PRO 10 HA PRO 10 4.367 1.675 -2.813
88 HB2 PRO 10 1HB PRO 10 2.757 -0.544 -2.974
89 HB3 PRO 10 2HB PRO 10 3.111 0.297 -1.454
90 HG2 PRO 10 1HG PRO 10 0.684 0.443 -3.176
91 HG3 PRO 10 2HG PRO 10 0.815 0.453 -1.410
92 HD2 PRO 10 1HD PRO 10 0.420 2.721 -2.927
93 HD3 PRO 10 2HD PRO 10 1.185 2.734 -1.322
94 H TYR 11 H TYR 11 1.490 0.888 -4.806
95 HA TYR 11 HA TYR 11 3.081 1.124 -7.257
96 HB2 TYR 11 1HB TYR 11 1.619 -1.427 -6.523
97 HB3 TYR 11 2HB TYR 11 2.445 -1.105 -8.045
98 HD1 TYR 11 HD1 TYR 11 4.957 -0.657 -8.009
99 HD2 TYR 11 HD2 TYR 11 2.807 -2.185 -4.620
100 HE1 TYR 11 HE1 TYR 11 7.086 -1.439 -7.004
101 HE2 TYR 11 HE2 TYR 11 4.935 -2.962 -3.617
102 HH TYR 11 HH TYR 11 7.851 -3.102 -5.383
103 H ILE 12 H ILE 12 1.470 2.983 -7.146
104 HA ILE 12 HA ILE 12 -1.304 2.451 -7.510
105 HB ILE 12 HB ILE 12 -0.396 4.626 -6.697
106 HG12 ILE 12 1HG1 ILE 12 -1.975 4.964 -9.257
107 HG13 ILE 12 2HG1 ILE 12 -2.685 4.312 -7.781
108 HG21 ILE 12 1HG2 ILE 12 0.344 5.066 -9.606
109 HG22 ILE 12 2HG2 ILE 12 1.511 4.709 -8.332
110 HG23 ILE 12 3HG2 ILE 12 0.567 6.197 -8.272
111 HD11 ILE 12 3HD1 ILE 12 -1.240 6.970 -7.869
112 HD12 ILE 12 1HD1 ILE 12 -2.257 6.338 -6.575
113 HD13 ILE 12 2HD1 ILE 12 -2.980 6.818 -8.111
114 H LEU 13 H LEU 13 1.425 2.653 -9.685
115 HA LEU 13 HA LEU 13 1.624 2.324 -11.949
116 HB2 LEU 13 1HB LEU 13 -0.737 0.653 -11.165
117 HB3 LEU 13 2HB LEU 13 -0.458 0.900 -12.886
118 HG LEU 13 HG LEU 13 1.863 0.074 -12.620
119 HD11 LEU 13 1HD1 LEU 13 2.180 0.739 -10.257
120 HD12 LEU 13 2HD1 LEU 13 2.522 -0.975 -10.484
121 HD13 LEU 13 3HD1 LEU 13 0.996 -0.472 -9.766
122 HD21 LEU 13 3HD2 LEU 13 -0.009 -1.492 -13.157
123 HD22 LEU 13 1HD2 LEU 13 -0.197 -1.809 -11.433
124 HD23 LEU 13 2HD2 LEU 13 1.289 -2.275 -12.257
Start of MODEL 31
1 H1 GLU 1 1H GLU 1 -6.897 -9.035 8.550
2 H2 GLU 1 2H GLU 1 -8.152 -7.937 8.877
3 H3 GLU 1 3H GLU 1 -6.576 -7.618 9.427
4 HA GLU 1 HA GLU 1 -6.464 -8.008 6.658
5 HB2 GLU 1 1HB GLU 1 -7.919 -6.158 5.927
6 HB3 GLU 1 2HB GLU 1 -8.869 -7.436 6.682
7 HG2 GLU 1 1HG GLU 1 -8.838 -6.160 8.818
8 HG3 GLU 1 2HG GLU 1 -7.959 -4.861 8.009
9 H LEU 2 H LEU 2 -5.055 -7.297 9.182
10 HA LEU 2 HA LEU 2 -4.348 -4.557 9.171
11 HB2 LEU 2 1HB LEU 2 -2.901 -7.015 10.174
12 HB3 LEU 2 2HB LEU 2 -2.324 -5.374 10.447
13 HG LEU 2 HG LEU 2 -5.093 -6.325 11.242
14 HD11 LEU 2 1HD1 LEU 2 -2.585 -6.110 12.940
15 HD12 LEU 2 2HD1 LEU 2 -3.338 -7.617 12.416
16 HD13 LEU 2 3HD1 LEU 2 -4.191 -6.543 13.524
17 HD21 LEU 2 3HD2 LEU 2 -3.473 -3.811 11.680
18 HD22 LEU 2 1HD2 LEU 2 -4.661 -4.297 12.888
19 HD23 LEU 2 2HD2 LEU 2 -5.171 -3.977 11.234
20 H TYR 3 H TYR 3 -2.988 -7.398 7.581
21 HA TYR 3 HA TYR 3 -0.654 -6.237 6.547
22 HB2 TYR 3 1HB TYR 3 -2.358 -8.462 5.402
23 HB3 TYR 3 2HB TYR 3 -0.716 -8.070 4.889
24 HD1 TYR 3 HD2 TYR 3 -2.790 -9.328 7.676
25 HD2 TYR 3 HD1 TYR 3 1.202 -8.609 6.266
26 HE1 TYR 3 HE2 TYR 3 -1.890 -10.705 9.533
27 HE2 TYR 3 HE1 TYR 3 2.104 -9.978 8.128
28 HH TYR 3 HH TYR 3 0.253 -12.063 9.937
29 H GLU 4 H GLU 4 -3.953 -6.356 5.241
30 HA GLU 4 HA GLU 4 -3.328 -5.258 2.706
31 HB2 GLU 4 1HB GLU 4 -5.458 -6.419 3.213
32 HB3 GLU 4 2HB GLU 4 -5.927 -5.066 4.244
33 HG2 GLU 4 1HG GLU 4 -5.860 -3.536 2.354
34 HG3 GLU 4 2HG GLU 4 -5.235 -4.806 1.305
35 H ASN 5 H ASN 5 -1.873 -3.551 3.140
36 HA ASN 5 HA ASN 5 -3.185 -0.997 3.558
37 HB2 ASN 5 1HB ASN 5 -2.593 -1.803 5.869
38 HB3 ASN 5 2HB ASN 5 -0.898 -1.764 5.380
39 HD21 ASN 5 2HD2 ASN 5 -3.795 0.333 5.675
40 HD22 ASN 5 1HD2 ASN 5 -2.922 1.772 5.895
41 H LYS 6 H LYS 6 -2.299 0.458 2.220
42 HA LYS 6 HA LYS 6 -0.113 -0.212 0.536
43 HB2 LYS 6 1HB LYS 6 -1.171 2.574 1.032
44 HB3 LYS 6 2HB LYS 6 -0.409 1.951 -0.429
45 HG2 LYS 6 1HG LYS 6 -2.314 0.320 -0.652
46 HG3 LYS 6 2HG LYS 6 -3.112 1.153 0.682
47 HD2 LYS 6 1HD LYS 6 -3.012 3.273 -0.627
48 HD3 LYS 6 2HD LYS 6 -2.307 2.376 -1.974
49 HE2 LYS 6 1HE LYS 6 -4.943 1.593 -0.720
50 HE3 LYS 6 2HE LYS 6 -4.842 2.724 -2.068
51 HZ1 LYS 6 3HZ LYS 6 -3.524 0.970 -3.245
52 HZ2 LYS 6 1HZ LYS 6 -5.161 0.601 -3.000
53 HZ3 LYS 6 2HZ LYS 6 -3.974 -0.110 -2.012
54 HA PRO 7 HA PRO 7 3.121 1.456 3.143
55 HB2 PRO 7 1HB PRO 7 5.189 1.507 1.470
56 HB3 PRO 7 2HB PRO 7 4.376 -0.041 1.781
57 HG2 PRO 7 1HG PRO 7 3.988 1.844 -0.519
58 HG3 PRO 7 2HG PRO 7 4.277 0.090 -0.551
59 HD2 PRO 7 1HD PRO 7 1.757 1.191 -0.706
60 HD3 PRO 7 2HD PRO 7 2.081 -0.422 -0.020
61 H ARG 8 H ARG 8 4.805 2.989 0.689
62 HA ARG 8 HA ARG 8 3.887 5.618 1.547
63 HB2 ARG 8 1HB ARG 8 6.135 4.733 -0.283
64 HB3 ARG 8 2HB ARG 8 5.751 6.423 0.050
65 HG2 ARG 8 1HG ARG 8 6.132 6.052 2.453
66 HG3 ARG 8 2HG ARG 8 6.471 4.349 2.141
67 HD2 ARG 8 1HD ARG 8 8.366 4.997 0.693
68 HD3 ARG 8 2HD ARG 8 8.055 6.692 1.050
69 HE ARG 8 HE ARG 8 9.195 4.701 2.876
70 HH11 ARG 8 1HH2 ARG 8 7.914 7.886 2.369
71 HH12 ARG 8 2HH2 ARG 8 8.665 8.554 3.777
72 HH21 ARG 8 1HH1 ARG 8 10.138 5.567 4.740
73 HH22 ARG 8 2HH1 ARG 8 9.914 7.240 5.126
74 H ARG 9 H ARG 9 5.007 5.678 -1.597
75 HA ARG 9 HA ARG 9 2.290 6.088 -2.664
76 HB2 ARG 9 1HB ARG 9 5.048 6.939 -3.536
77 HB3 ARG 9 2HB ARG 9 3.708 6.940 -4.682
78 HG2 ARG 9 1HG ARG 9 4.017 9.152 -3.566
79 HG3 ARG 9 2HG ARG 9 2.431 8.452 -3.243
80 HD2 ARG 9 1HD ARG 9 3.059 7.790 -1.052
81 HD3 ARG 9 2HD ARG 9 4.771 8.047 -1.377
82 HE ARG 9 HE ARG 9 2.850 10.047 -0.593
83 HH11 ARG 9 1HH2 ARG 9 5.774 9.394 -2.320
84 HH12 ARG 9 2HH2 ARG 9 6.399 11.001 -2.155
85 HH21 ARG 9 1HH1 ARG 9 3.642 12.167 -0.399
86 HH22 ARG 9 2HH1 ARG 9 5.178 12.579 -1.084
87 HA PRO 10 HA PRO 10 3.039 1.816 -4.120
88 HB2 PRO 10 1HB PRO 10 0.474 2.300 -5.595
89 HB3 PRO 10 2HB PRO 10 0.937 0.942 -4.549
90 HG2 PRO 10 1HG PRO 10 -0.768 2.842 -3.733
91 HG3 PRO 10 2HG PRO 10 0.370 2.060 -2.623
92 HD2 PRO 10 1HD PRO 10 0.481 4.811 -3.797
93 HD3 PRO 10 2HD PRO 10 1.062 4.220 -2.226
94 H TYR 11 H TYR 11 3.872 1.007 -6.041
95 HA TYR 11 HA TYR 11 4.959 2.774 -7.904
96 HB2 TYR 11 1HB TYR 11 5.891 0.564 -7.573
97 HB3 TYR 11 2HB TYR 11 4.411 -0.192 -8.168
98 HD1 TYR 11 HD1 TYR 11 7.202 2.079 -9.132
99 HD2 TYR 11 HD2 TYR 11 4.064 -0.512 -10.501
100 HE1 TYR 11 HE1 TYR 11 8.066 2.262 -11.449
101 HE2 TYR 11 HE2 TYR 11 4.928 -0.332 -12.822
102 HH TYR 11 HH TYR 11 6.320 1.449 -14.120
103 H ILE 12 H ILE 12 1.751 2.085 -7.565
104 HA ILE 12 HA ILE 12 0.850 1.729 -10.221
105 HB ILE 12 HB ILE 12 -0.473 2.997 -7.811
106 HG12 ILE 12 1HG1 ILE 12 -0.917 0.305 -9.140
107 HG13 ILE 12 2HG1 ILE 12 0.128 0.539 -7.738
108 HG21 ILE 12 1HG2 ILE 12 -1.552 2.340 -10.564
109 HG22 ILE 12 2HG2 ILE 12 -1.607 3.890 -9.730
110 HG23 ILE 12 3HG2 ILE 12 -2.600 2.552 -9.162
111 HD11 ILE 12 3HD1 ILE 12 -2.165 -0.189 -7.088
112 HD12 ILE 12 1HD1 ILE 12 -2.810 1.271 -7.838
113 HD13 ILE 12 2HD1 ILE 12 -1.754 1.395 -6.433
114 H LEU 13 H LEU 13 1.446 4.632 -8.272
115 HA LEU 13 HA LEU 13 1.735 6.829 -8.831
116 HB2 LEU 13 1HB LEU 13 3.473 5.868 -10.339
117 HB3 LEU 13 2HB LEU 13 2.265 5.763 -11.616
118 HG LEU 13 HG LEU 13 1.915 8.220 -11.461
119 HD11 LEU 13 1HD1 LEU 13 2.506 8.979 -9.362
120 HD12 LEU 13 2HD1 LEU 13 4.002 9.355 -10.213
121 HD13 LEU 13 3HD1 LEU 13 3.891 7.896 -9.228
122 HD21 LEU 13 3HD2 LEU 13 3.475 7.312 -13.111
123 HD22 LEU 13 1HD2 LEU 13 4.772 7.300 -11.917
124 HD23 LEU 13 2HD2 LEU 13 4.103 8.833 -12.479
Start of MODEL 32
1 H1 GLU 1 1H GLU 1 -5.407 -7.665 10.097
2 H2 GLU 1 2H GLU 1 -4.310 -6.368 10.078
3 H3 GLU 1 3H GLU 1 -4.230 -7.535 11.311
4 HA GLU 1 HA GLU 1 -2.564 -7.651 9.366
5 HB2 GLU 1 1HB GLU 1 -2.851 -9.338 11.174
6 HB3 GLU 1 2HB GLU 1 -4.139 -10.088 10.231
7 HG2 GLU 1 1HG GLU 1 -2.563 -10.518 8.392
8 HG3 GLU 1 2HG GLU 1 -1.272 -9.741 9.308
9 H LEU 2 H LEU 2 -5.915 -8.528 8.921
10 HA LEU 2 HA LEU 2 -5.716 -9.693 6.357
11 HB2 LEU 2 1HB LEU 2 -7.991 -8.246 7.726
12 HB3 LEU 2 2HB LEU 2 -8.158 -9.174 6.237
13 HG LEU 2 HG LEU 2 -7.024 -10.314 8.807
14 HD11 LEU 2 1HD1 LEU 2 -9.844 -10.524 7.693
15 HD12 LEU 2 2HD1 LEU 2 -9.372 -9.622 9.134
16 HD13 LEU 2 3HD1 LEU 2 -9.237 -11.381 9.109
17 HD21 LEU 2 3HD2 LEU 2 -6.326 -11.776 7.126
18 HD22 LEU 2 1HD2 LEU 2 -7.709 -11.430 6.090
19 HD23 LEU 2 2HD2 LEU 2 -7.899 -12.469 7.500
20 H TYR 3 H TYR 3 -6.228 -6.351 7.422
21 HA TYR 3 HA TYR 3 -6.559 -5.335 4.752
22 HB2 TYR 3 1HB TYR 3 -6.002 -3.947 7.384
23 HB3 TYR 3 2HB TYR 3 -6.347 -3.111 5.870
24 HD1 TYR 3 HD2 TYR 3 -8.565 -3.372 4.767
25 HD2 TYR 3 HD1 TYR 3 -7.737 -5.055 8.631
26 HE1 TYR 3 HE2 TYR 3 -10.995 -3.665 5.160
27 HE2 TYR 3 HE1 TYR 3 -10.168 -5.350 9.022
28 HH TYR 3 HH TYR 3 -12.310 -4.286 8.176
29 H GLU 4 H GLU 4 -5.066 -4.414 3.420
30 HA GLU 4 HA GLU 4 -2.263 -4.962 3.997
31 HB2 GLU 4 1HB GLU 4 -3.685 -3.878 1.558
32 HB3 GLU 4 2HB GLU 4 -1.942 -4.133 1.649
33 HG2 GLU 4 1HG GLU 4 -2.277 -6.512 2.095
34 HG3 GLU 4 2HG GLU 4 -4.025 -6.284 2.118
35 H ASN 5 H ASN 5 -0.760 -3.506 4.550
36 HA ASN 5 HA ASN 5 -1.602 -0.732 5.018
37 HB2 ASN 5 1HB ASN 5 -0.452 -2.012 6.817
38 HB3 ASN 5 2HB ASN 5 0.971 -2.128 5.783
39 HD21 ASN 5 2HD2 ASN 5 2.362 -0.767 7.046
40 HD22 ASN 5 1HD2 ASN 5 2.054 0.887 7.284
41 H LYS 6 H LYS 6 -1.388 0.561 3.290
42 HA LYS 6 HA LYS 6 0.321 0.154 1.111
43 HB2 LYS 6 1HB LYS 6 -0.891 2.713 2.181
44 HB3 LYS 6 2HB LYS 6 -0.052 2.602 0.640
45 HG2 LYS 6 1HG LYS 6 -2.155 2.165 -0.195
46 HG3 LYS 6 2HG LYS 6 -1.836 0.527 0.365
47 HD2 LYS 6 1HD LYS 6 -3.922 0.978 1.332
48 HD3 LYS 6 2HD LYS 6 -2.819 1.386 2.643
49 HE2 LYS 6 1HE LYS 6 -4.236 3.254 2.585
50 HE3 LYS 6 2HE LYS 6 -2.877 3.795 1.601
51 HZ1 LYS 6 3HZ LYS 6 -4.821 4.293 0.397
52 HZ2 LYS 6 1HZ LYS 6 -5.496 2.764 0.679
53 HZ3 LYS 6 2HZ LYS 6 -4.158 2.922 -0.356
54 HA PRO 7 HA PRO 7 4.111 1.806 2.847
55 HB2 PRO 7 1HB PRO 7 5.670 1.875 0.709
56 HB3 PRO 7 2HB PRO 7 4.901 0.328 1.124
57 HG2 PRO 7 1HG PRO 7 3.987 2.388 -0.854
58 HG3 PRO 7 2HG PRO 7 4.242 0.644 -1.107
59 HD2 PRO 7 1HD PRO 7 1.777 1.720 -0.506
60 HD3 PRO 7 2HD PRO 7 2.253 0.065 -0.049
61 H ARG 8 H ARG 8 5.504 3.529 0.561
62 HA ARG 8 HA ARG 8 4.352 6.053 1.437
63 HB2 ARG 8 1HB ARG 8 6.826 5.805 1.260
64 HB3 ARG 8 2HB ARG 8 6.651 5.532 -0.473
65 HG2 ARG 8 1HG ARG 8 5.601 7.756 -0.717
66 HG3 ARG 8 2HG ARG 8 5.794 8.033 1.014
67 HD2 ARG 8 1HD ARG 8 8.263 7.710 0.731
68 HD3 ARG 8 2HD ARG 8 8.011 7.611 -1.008
69 HE ARG 8 HE ARG 8 7.851 10.011 0.640
70 HH11 ARG 8 1HH2 ARG 8 7.142 8.442 -2.363
71 HH12 ARG 8 2HH2 ARG 8 7.001 9.919 -3.260
72 HH21 ARG 8 1HH1 ARG 8 7.669 11.948 -0.529
73 HH22 ARG 8 2HH1 ARG 8 7.301 11.903 -2.221
74 H ARG 9 H ARG 9 5.482 5.189 -1.773
75 HA ARG 9 HA ARG 9 3.004 6.253 -2.934
76 HB2 ARG 9 1HB ARG 9 4.660 5.651 -5.079
77 HB3 ARG 9 2HB ARG 9 4.536 7.230 -4.316
78 HG2 ARG 9 1HG ARG 9 6.867 6.665 -4.436
79 HG3 ARG 9 2HG ARG 9 6.397 6.532 -2.747
80 HD2 ARG 9 1HD ARG 9 6.238 4.114 -2.927
81 HD3 ARG 9 2HD ARG 9 6.483 4.189 -4.670
82 HE ARG 9 HE ARG 9 8.693 5.412 -3.470
83 HH11 ARG 9 1HH2 ARG 9 7.136 2.322 -3.605
84 HH12 ARG 9 2HH2 ARG 9 8.596 1.424 -3.352
85 HH21 ARG 9 1HH1 ARG 9 10.607 4.239 -3.138
86 HH22 ARG 9 2HH1 ARG 9 10.559 2.509 -3.086
87 HA PRO 10 HA PRO 10 2.223 1.801 -3.222
88 HB2 PRO 10 1HB PRO 10 -0.447 1.871 -3.789
89 HB3 PRO 10 2HB PRO 10 0.191 2.169 -2.161
90 HG2 PRO 10 1HG PRO 10 -0.722 4.128 -4.217
91 HG3 PRO 10 2HG PRO 10 -0.983 4.133 -2.464
92 HD2 PRO 10 1HD PRO 10 0.948 5.651 -3.728
93 HD3 PRO 10 2HD PRO 10 1.069 5.123 -2.034
94 H TYR 11 H TYR 11 3.564 2.843 -5.332
95 HA TYR 11 HA TYR 11 3.869 2.803 -7.622
96 HB2 TYR 11 1HB TYR 11 2.199 0.299 -7.288
97 HB3 TYR 11 2HB TYR 11 3.265 0.661 -8.646
98 HD1 TYR 11 HD1 TYR 11 5.702 0.650 -8.382
99 HD2 TYR 11 HD2 TYR 11 3.096 -0.287 -5.099
100 HE1 TYR 11 HE1 TYR 11 7.626 -0.280 -7.120
101 HE2 TYR 11 HE2 TYR 11 5.019 -1.216 -3.838
102 HH TYR 11 HH TYR 11 8.319 -1.084 -5.161
103 H ILE 12 H ILE 12 2.355 4.737 -7.651
104 HA ILE 12 HA ILE 12 -0.350 4.422 -8.473
105 HB ILE 12 HB ILE 12 0.615 6.500 -7.452
106 HG12 ILE 12 1HG1 ILE 12 -0.614 6.982 -10.181
107 HG13 ILE 12 2HG1 ILE 12 -1.540 6.411 -8.792
108 HG21 ILE 12 1HG2 ILE 12 1.973 7.972 -8.738
109 HG22 ILE 12 2HG2 ILE 12 1.679 7.069 -10.224
110 HG23 ILE 12 3HG2 ILE 12 2.693 6.376 -8.958
111 HD11 ILE 12 3HD1 ILE 12 0.066 8.983 -8.889
112 HD12 ILE 12 1HD1 ILE 12 -0.884 8.411 -7.516
113 HD13 ILE 12 2HD1 ILE 12 -1.689 8.869 -9.017
114 H LEU 13 H LEU 13 2.689 4.905 -10.222
115 HA LEU 13 HA LEU 13 1.753 5.311 -12.796
116 HB2 LEU 13 1HB LEU 13 4.126 3.600 -12.016
117 HB3 LEU 13 2HB LEU 13 3.874 4.399 -13.567
118 HG LEU 13 HG LEU 13 4.135 5.827 -10.902
119 HD11 LEU 13 1HD1 LEU 13 6.091 5.577 -13.210
120 HD12 LEU 13 2HD1 LEU 13 6.248 4.774 -11.647
121 HD13 LEU 13 3HD1 LEU 13 6.337 6.532 -11.748
122 HD21 LEU 13 3HD2 LEU 13 3.663 6.733 -13.745
123 HD22 LEU 13 1HD2 LEU 13 4.511 7.788 -12.613
124 HD23 LEU 13 2HD2 LEU 13 2.866 7.267 -12.264
Start of MODEL 33
1 H1 GLU 1 1H GLU 1 -7.058 -7.244 -0.167
2 H2 GLU 1 2H GLU 1 -6.069 -8.228 0.803
3 H3 GLU 1 3H GLU 1 -5.390 -6.949 -0.085
4 HA GLU 1 HA GLU 1 -6.399 -5.318 1.267
5 HB2 GLU 1 1HB GLU 1 -8.567 -6.620 1.431
6 HB3 GLU 1 2HB GLU 1 -7.809 -7.584 2.700
7 HG2 GLU 1 1HG GLU 1 -9.026 -5.842 3.808
8 HG3 GLU 1 2HG GLU 1 -7.321 -5.408 3.914
9 H LEU 2 H LEU 2 -4.313 -5.006 2.006
10 HA LEU 2 HA LEU 2 -3.011 -6.929 3.727
11 HB2 LEU 2 1HB LEU 2 -2.241 -4.086 3.008
12 HB3 LEU 2 2HB LEU 2 -1.211 -5.249 3.840
13 HG LEU 2 HG LEU 2 -2.394 -5.687 1.081
14 HD11 LEU 2 1HD1 LEU 2 -0.830 -3.933 0.804
15 HD12 LEU 2 2HD1 LEU 2 0.088 -5.388 0.423
16 HD13 LEU 2 3HD1 LEU 2 0.280 -4.612 1.996
17 HD21 LEU 2 3HD2 LEU 2 -0.573 -7.275 2.889
18 HD22 LEU 2 1HD2 LEU 2 -0.391 -7.415 1.140
19 HD23 LEU 2 2HD2 LEU 2 -1.922 -7.831 1.899
20 H TYR 3 H TYR 3 -3.115 -7.035 5.870
21 HA TYR 3 HA TYR 3 -4.919 -5.487 7.383
22 HB2 TYR 3 1HB TYR 3 -4.259 -7.735 8.058
23 HB3 TYR 3 2HB TYR 3 -2.590 -7.207 8.272
24 HD1 TYR 3 HD2 TYR 3 -6.020 -7.032 9.607
25 HD2 TYR 3 HD1 TYR 3 -1.932 -5.835 10.179
26 HE1 TYR 3 HE2 TYR 3 -6.544 -6.351 11.932
27 HE2 TYR 3 HE1 TYR 3 -2.459 -5.155 12.506
28 HH TYR 3 HH TYR 3 -5.068 -6.122 14.153
29 H GLU 4 H GLU 4 -1.369 -5.399 7.171
30 HA GLU 4 HA GLU 4 -1.057 -3.226 8.992
31 HB2 GLU 4 1HB GLU 4 0.784 -4.315 6.849
32 HB3 GLU 4 2HB GLU 4 1.256 -3.126 8.064
33 HG2 GLU 4 1HG GLU 4 0.133 -5.861 8.728
34 HG3 GLU 4 2HG GLU 4 1.856 -5.499 8.661
35 H ASN 5 H ASN 5 -0.566 -1.046 8.551
36 HA ASN 5 HA ASN 5 -2.017 0.136 6.418
37 HB2 ASN 5 1HB ASN 5 -1.492 1.247 8.610
38 HB3 ASN 5 2HB ASN 5 0.177 1.415 8.063
39 HD21 ASN 5 2HD2 ASN 5 0.149 3.736 7.866
40 HD22 ASN 5 1HD2 ASN 5 -0.810 4.534 6.716
41 H LYS 6 H LYS 6 -1.409 0.708 4.396
42 HA LYS 6 HA LYS 6 0.737 -0.442 3.117
43 HB2 LYS 6 1HB LYS 6 0.028 2.230 2.016
44 HB3 LYS 6 2HB LYS 6 -0.029 0.643 1.247
45 HG2 LYS 6 1HG LYS 6 -2.094 0.139 2.608
46 HG3 LYS 6 2HG LYS 6 -2.082 1.824 3.134
47 HD2 LYS 6 1HD LYS 6 -2.254 2.583 0.815
48 HD3 LYS 6 2HD LYS 6 -2.166 0.917 0.241
49 HE2 LYS 6 1HE LYS 6 -4.499 1.682 0.281
50 HE3 LYS 6 2HE LYS 6 -4.255 0.393 1.460
51 HZ1 LYS 6 3HZ LYS 6 -3.742 3.012 2.517
52 HZ2 LYS 6 1HZ LYS 6 -4.698 1.758 3.143
53 HZ3 LYS 6 2HZ LYS 6 -5.342 2.818 1.981
54 HA PRO 7 HA PRO 7 4.100 2.364 4.059
55 HB2 PRO 7 1HB PRO 7 5.771 1.948 2.050
56 HB3 PRO 7 2HB PRO 7 5.148 0.538 2.940
57 HG2 PRO 7 1HG PRO 7 4.321 1.591 0.269
58 HG3 PRO 7 2HG PRO 7 4.490 -0.089 0.812
59 HD2 PRO 7 1HD PRO 7 2.077 1.453 0.763
60 HD3 PRO 7 2HD PRO 7 2.296 -0.149 1.506
61 H ARG 8 H ARG 8 5.033 3.060 0.909
62 HA ARG 8 HA ARG 8 4.197 5.829 1.127
63 HB2 ARG 8 1HB ARG 8 5.645 6.194 -0.815
64 HB3 ARG 8 2HB ARG 8 6.510 5.261 0.405
65 HG2 ARG 8 1HG ARG 8 5.937 3.169 -0.801
66 HG3 ARG 8 2HG ARG 8 5.131 4.123 -2.046
67 HD2 ARG 8 1HD ARG 8 7.376 3.600 -2.801
68 HD3 ARG 8 2HD ARG 8 7.273 5.326 -2.462
69 HE ARG 8 HE ARG 8 8.169 3.959 -0.147
70 HH11 ARG 8 1HH2 ARG 8 9.144 4.876 -3.339
71 HH12 ARG 8 2HH2 ARG 8 10.828 4.962 -2.948
72 HH21 ARG 8 1HH1 ARG 8 10.374 4.077 0.373
73 HH22 ARG 8 2HH1 ARG 8 11.525 4.512 -0.846
74 H ARG 9 H ARG 9 3.940 6.350 -1.677
75 HA ARG 9 HA ARG 9 1.198 5.787 -2.033
76 HB2 ARG 9 1HB ARG 9 3.122 6.383 -4.280
77 HB3 ARG 9 2HB ARG 9 1.408 6.780 -4.186
78 HG2 ARG 9 1HG ARG 9 3.547 7.944 -2.373
79 HG3 ARG 9 2HG ARG 9 2.865 8.759 -3.778
80 HD2 ARG 9 1HD ARG 9 0.580 8.444 -2.698
81 HD3 ARG 9 2HD ARG 9 1.434 7.949 -1.239
82 HE ARG 9 HE ARG 9 2.494 10.412 -2.108
83 HH11 ARG 9 1HH2 ARG 9 -0.406 9.019 -0.836
84 HH12 ARG 9 2HH2 ARG 9 -0.895 10.454 -0.000
85 HH21 ARG 9 1HH1 ARG 9 1.855 12.304 -1.023
86 HH22 ARG 9 2HH1 ARG 9 0.384 12.315 -0.110
87 HA PRO 10 HA PRO 10 1.942 1.412 -2.981
88 HB2 PRO 10 1HB PRO 10 -0.819 1.574 -4.136
89 HB3 PRO 10 2HB PRO 10 -0.146 0.405 -2.983
90 HG2 PRO 10 1HG PRO 10 -1.812 2.368 -2.220
91 HG3 PRO 10 2HG PRO 10 -0.510 1.773 -1.177
92 HD2 PRO 10 1HD PRO 10 -0.683 4.344 -2.682
93 HD3 PRO 10 2HD PRO 10 0.187 3.963 -1.180
94 H TYR 11 H TYR 11 2.193 0.121 -4.905
95 HA TYR 11 HA TYR 11 3.198 1.484 -7.131
96 HB2 TYR 11 1HB TYR 11 2.192 -1.367 -6.979
97 HB3 TYR 11 2HB TYR 11 3.244 -0.712 -8.234
98 HD1 TYR 11 HD1 TYR 11 5.498 0.262 -7.555
99 HD2 TYR 11 HD2 TYR 11 3.086 -2.111 -4.912
100 HE1 TYR 11 HE1 TYR 11 7.482 -0.161 -6.127
101 HE2 TYR 11 HE2 TYR 11 5.068 -2.534 -3.483
102 HH TYR 11 HH TYR 11 7.467 -1.005 -3.171
103 H ILE 12 H ILE 12 1.373 3.005 -7.460
104 HA ILE 12 HA ILE 12 -1.111 2.108 -8.535
105 HB ILE 12 HB ILE 12 -0.644 4.353 -7.450
106 HG12 ILE 12 1HG1 ILE 12 -2.001 5.605 -9.360
107 HG13 ILE 12 2HG1 ILE 12 -2.083 3.999 -10.080
108 HG21 ILE 12 1HG2 ILE 12 0.393 6.086 -8.721
109 HG22 ILE 12 2HG2 ILE 12 0.405 5.104 -10.187
110 HG23 ILE 12 3HG2 ILE 12 1.468 4.693 -8.839
111 HD11 ILE 12 3HD1 ILE 12 -2.842 3.320 -7.601
112 HD12 ILE 12 1HD1 ILE 12 -3.998 3.950 -8.775
113 HD13 ILE 12 2HD1 ILE 12 -3.315 5.017 -7.549
114 H LEU 13 H LEU 13 1.918 3.247 -9.968
115 HA LEU 13 HA LEU 13 2.575 3.435 -12.185
116 HB2 LEU 13 1HB LEU 13 1.623 0.611 -11.757
117 HB3 LEU 13 2HB LEU 13 2.245 1.102 -13.334
118 HG LEU 13 HG LEU 13 4.355 1.807 -12.327
119 HD11 LEU 13 1HD1 LEU 13 3.655 2.616 -10.183
120 HD12 LEU 13 2HD1 LEU 13 4.707 1.236 -9.866
121 HD13 LEU 13 3HD1 LEU 13 2.958 1.055 -9.750
122 HD21 LEU 13 3HD2 LEU 13 5.198 -0.376 -11.686
123 HD22 LEU 13 1HD2 LEU 13 3.981 -0.609 -12.942
124 HD23 LEU 13 2HD2 LEU 13 3.578 -0.922 -11.255
Start of MODEL 34
1 H1 GLU 1 1H GLU 1 -7.196 -8.742 9.929
2 H2 GLU 1 2H GLU 1 -6.783 -7.819 11.295
3 H3 GLU 1 3H GLU 1 -6.001 -9.298 10.996
4 HA GLU 1 HA GLU 1 -5.335 -6.708 10.071
5 HB2 GLU 1 1HB GLU 1 -3.800 -8.399 11.066
6 HB3 GLU 1 2HB GLU 1 -4.038 -9.419 9.647
7 HG2 GLU 1 1HG GLU 1 -3.127 -7.655 8.202
8 HG3 GLU 1 2HG GLU 1 -2.929 -6.596 9.598
9 H LEU 2 H LEU 2 -6.121 -5.852 8.246
10 HA LEU 2 HA LEU 2 -7.054 -7.487 6.056
11 HB2 LEU 2 1HB LEU 2 -7.153 -5.042 4.987
12 HB3 LEU 2 2HB LEU 2 -8.343 -5.565 6.175
13 HG LEU 2 HG LEU 2 -5.813 -4.311 7.208
14 HD11 LEU 2 1HD1 LEU 2 -6.419 -2.764 5.431
15 HD12 LEU 2 2HD1 LEU 2 -6.860 -2.052 6.984
16 HD13 LEU 2 3HD1 LEU 2 -8.102 -2.767 5.956
17 HD21 LEU 2 3HD2 LEU 2 -7.837 -5.276 8.569
18 HD22 LEU 2 1HD2 LEU 2 -8.651 -3.784 8.101
19 HD23 LEU 2 2HD2 LEU 2 -7.163 -3.718 9.044
20 H TYR 3 H TYR 3 -6.297 -6.307 3.785
21 HA TYR 3 HA TYR 3 -3.858 -7.416 3.121
22 HB2 TYR 3 1HB TYR 3 -5.204 -4.996 1.897
23 HB3 TYR 3 2HB TYR 3 -3.882 -5.897 1.153
24 HD1 TYR 3 HD1 TYR 3 -4.199 -8.353 0.627
25 HD2 TYR 3 HD2 TYR 3 -7.447 -5.795 1.791
26 HE1 TYR 3 HE1 TYR 3 -5.820 -10.000 -0.276
27 HE2 TYR 3 HE2 TYR 3 -9.067 -7.442 0.889
28 HH TYR 3 HH TYR 3 -9.271 -9.651 0.236
29 H GLU 4 H GLU 4 -1.886 -6.189 2.339
30 HA GLU 4 HA GLU 4 -0.684 -4.852 4.526
31 HB2 GLU 4 1HB GLU 4 0.144 -5.090 1.626
32 HB3 GLU 4 2HB GLU 4 1.158 -4.380 2.882
33 HG2 GLU 4 1HG GLU 4 1.123 -6.475 4.142
34 HG3 GLU 4 2HG GLU 4 0.031 -7.193 2.958
35 H ASN 5 H ASN 5 -0.325 -2.721 4.948
36 HA ASN 5 HA ASN 5 -2.035 -0.799 3.618
37 HB2 ASN 5 1HB ASN 5 -0.059 -0.559 5.897
38 HB3 ASN 5 2HB ASN 5 -1.036 0.782 5.301
39 HD21 ASN 5 2HD2 ASN 5 -1.138 -0.682 7.970
40 HD22 ASN 5 1HD2 ASN 5 -2.752 -1.188 8.116
41 H LYS 6 H LYS 6 -1.410 0.869 2.298
42 HA LYS 6 HA LYS 6 0.825 0.575 0.667
43 HB2 LYS 6 1HB LYS 6 -0.749 3.082 1.287
44 HB3 LYS 6 2HB LYS 6 0.391 2.920 -0.048
45 HG2 LYS 6 1HG LYS 6 -0.960 1.328 -1.166
46 HG3 LYS 6 2HG LYS 6 -1.900 0.976 0.285
47 HD2 LYS 6 1HD LYS 6 -2.957 3.155 0.204
48 HD3 LYS 6 2HD LYS 6 -1.913 3.658 -1.127
49 HE2 LYS 6 1HE LYS 6 -4.059 3.013 -2.054
50 HE3 LYS 6 2HE LYS 6 -2.875 1.783 -2.500
51 HZ1 LYS 6 3HZ LYS 6 -4.544 0.479 -1.702
52 HZ2 LYS 6 1HZ LYS 6 -5.083 1.634 -0.583
53 HZ3 LYS 6 2HZ LYS 6 -3.682 0.730 -0.260
54 HA PRO 7 HA PRO 7 3.942 2.514 3.252
55 HB2 PRO 7 1HB PRO 7 5.978 2.721 1.539
56 HB3 PRO 7 2HB PRO 7 5.333 1.113 1.933
57 HG2 PRO 7 1HG PRO 7 4.737 2.833 -0.449
58 HG3 PRO 7 2HG PRO 7 5.184 1.114 -0.400
59 HD2 PRO 7 1HD PRO 7 2.572 1.976 -0.574
60 HD3 PRO 7 2HD PRO 7 3.045 0.438 0.192
61 H ARG 8 H ARG 8 5.372 4.092 0.629
62 HA ARG 8 HA ARG 8 4.363 6.690 1.484
63 HB2 ARG 8 1HB ARG 8 6.514 5.849 -0.472
64 HB3 ARG 8 2HB ARG 8 6.021 7.529 -0.254
65 HG2 ARG 8 1HG ARG 8 6.613 7.422 2.121
66 HG3 ARG 8 2HG ARG 8 7.046 5.719 1.955
67 HD2 ARG 8 1HD ARG 8 8.812 6.311 0.350
68 HD3 ARG 8 2HD ARG 8 8.361 8.007 0.466
69 HE ARG 8 HE ARG 8 9.279 8.085 2.654
70 HH11 ARG 8 1HH2 ARG 8 9.509 4.936 1.199
71 HH12 ARG 8 2HH2 ARG 8 10.727 4.379 2.294
72 HH21 ARG 8 1HH1 ARG 8 10.869 7.342 4.081
73 HH22 ARG 8 2HH1 ARG 8 11.494 5.735 3.921
74 H ARG 9 H ARG 9 5.225 6.028 -1.786
75 HA ARG 9 HA ARG 9 2.512 6.710 -2.674
76 HB2 ARG 9 1HB ARG 9 3.459 7.130 -4.839
77 HB3 ARG 9 2HB ARG 9 4.533 7.884 -3.669
78 HG2 ARG 9 1HG ARG 9 4.989 5.174 -4.977
79 HG3 ARG 9 2HG ARG 9 5.804 6.671 -5.402
80 HD2 ARG 9 1HD ARG 9 6.448 6.736 -2.854
81 HD3 ARG 9 2HD ARG 9 6.107 5.006 -2.924
82 HE ARG 9 HE ARG 9 8.081 4.744 -4.096
83 HH11 ARG 9 1HH2 ARG 9 6.984 8.020 -4.276
84 HH12 ARG 9 2HH2 ARG 9 8.389 8.590 -5.113
85 HH21 ARG 9 1HH1 ARG 9 9.927 5.483 -5.192
86 HH22 ARG 9 2HH1 ARG 9 10.057 7.155 -5.630
87 HA PRO 10 HA PRO 10 1.929 2.361 -3.159
88 HB2 PRO 10 1HB PRO 10 -0.219 2.282 -4.865
89 HB3 PRO 10 2HB PRO 10 -0.358 2.770 -3.163
90 HG2 PRO 10 1HG PRO 10 -0.160 4.487 -5.604
91 HG3 PRO 10 2HG PRO 10 -1.235 4.649 -4.203
92 HD2 PRO 10 1HD PRO 10 1.037 6.135 -4.463
93 HD3 PRO 10 2HD PRO 10 0.420 5.622 -2.876
94 H TYR 11 H TYR 11 2.191 0.626 -4.680
95 HA TYR 11 HA TYR 11 4.139 1.060 -6.655
96 HB2 TYR 11 1HB TYR 11 2.261 -1.278 -6.242
97 HB3 TYR 11 2HB TYR 11 3.640 -1.291 -7.341
98 HD1 TYR 11 HD1 TYR 11 2.579 -1.226 -3.817
99 HD2 TYR 11 HD2 TYR 11 5.936 -1.256 -6.496
100 HE1 TYR 11 HE1 TYR 11 4.085 -1.775 -1.926
101 HE2 TYR 11 HE2 TYR 11 7.440 -1.806 -4.605
102 HH TYR 11 HH TYR 11 6.572 -3.057 -1.868
103 H ILE 12 H ILE 12 0.660 1.144 -6.792
104 HA ILE 12 HA ILE 12 0.299 0.761 -9.565
105 HB ILE 12 HB ILE 12 -1.315 2.333 -7.542
106 HG12 ILE 12 1HG1 ILE 12 -1.849 -0.359 -8.831
107 HG13 ILE 12 2HG1 ILE 12 -1.040 -0.178 -7.274
108 HG21 ILE 12 1HG2 ILE 12 -1.863 1.628 -10.435
109 HG22 ILE 12 2HG2 ILE 12 -1.910 3.224 -9.685
110 HG23 ILE 12 3HG2 ILE 12 -3.150 2.032 -9.301
111 HD11 ILE 12 3HD1 ILE 12 -3.854 0.690 -7.988
112 HD12 ILE 12 1HD1 ILE 12 -3.045 1.154 -6.492
113 HD13 ILE 12 2HD1 ILE 12 -3.378 -0.545 -6.822
114 H LEU 13 H LEU 13 0.857 3.688 -7.630
115 HA LEU 13 HA LEU 13 1.652 5.758 -8.213
116 HB2 LEU 13 1HB LEU 13 3.206 4.147 -9.617
117 HB3 LEU 13 2HB LEU 13 2.303 4.788 -10.984
118 HG LEU 13 HG LEU 13 4.271 6.154 -10.701
119 HD11 LEU 13 1HD1 LEU 13 3.281 8.313 -10.541
120 HD12 LEU 13 2HD1 LEU 13 2.018 7.736 -9.453
121 HD13 LEU 13 3HD1 LEU 13 2.011 7.251 -11.150
122 HD21 LEU 13 3HD2 LEU 13 4.297 5.495 -8.088
123 HD22 LEU 13 1HD2 LEU 13 3.522 7.073 -7.942
124 HD23 LEU 13 2HD2 LEU 13 5.108 6.934 -8.694
Start of MODEL 35
1 H1 GLU 1 1H GLU 1 -2.677 -11.412 7.611
2 H2 GLU 1 2H GLU 1 -3.697 -12.038 8.816
3 H3 GLU 1 3H GLU 1 -2.308 -11.160 9.246
4 HA GLU 1 HA GLU 1 -4.911 -10.215 8.357
5 HB2 GLU 1 1HB GLU 1 -4.049 -9.953 10.678
6 HB3 GLU 1 2HB GLU 1 -2.708 -8.994 10.049
7 HG2 GLU 1 1HG GLU 1 -4.297 -7.349 9.136
8 HG3 GLU 1 2HG GLU 1 -5.647 -8.312 9.736
9 H LEU 2 H LEU 2 -5.182 -8.987 6.608
10 HA LEU 2 HA LEU 2 -2.946 -8.156 4.998
11 HB2 LEU 2 1HB LEU 2 -5.897 -7.515 4.746
12 HB3 LEU 2 2HB LEU 2 -4.672 -7.211 3.515
13 HG LEU 2 HG LEU 2 -5.362 -9.944 4.637
14 HD11 LEU 2 1HD1 LEU 2 -7.216 -9.185 3.314
15 HD12 LEU 2 2HD1 LEU 2 -6.281 -10.277 2.289
16 HD13 LEU 2 3HD1 LEU 2 -6.143 -8.531 2.075
17 HD21 LEU 2 3HD2 LEU 2 -3.354 -8.936 2.623
18 HD22 LEU 2 1HD2 LEU 2 -4.053 -10.542 2.413
19 HD23 LEU 2 2HD2 LEU 2 -3.156 -10.161 3.877
20 H TYR 3 H TYR 3 -2.251 -6.061 4.563
21 HA TYR 3 HA TYR 3 -2.432 -4.219 6.747
22 HB2 TYR 3 1HB TYR 3 -1.256 -3.926 3.973
23 HB3 TYR 3 2HB TYR 3 -1.070 -2.743 5.270
24 HD1 TYR 3 HD1 TYR 3 -0.271 -6.195 4.190
25 HD2 TYR 3 HD2 TYR 3 0.400 -3.145 7.139
26 HE1 TYR 3 HE1 TYR 3 1.628 -7.500 5.108
27 HE2 TYR 3 HE2 TYR 3 2.298 -4.450 8.057
28 HH TYR 3 HH TYR 3 3.580 -6.245 7.816
29 H GLU 4 H GLU 4 -4.101 -2.922 7.122
30 HA GLU 4 HA GLU 4 -6.155 -2.401 5.226
31 HB2 GLU 4 1HB GLU 4 -6.513 -2.404 7.681
32 HB3 GLU 4 2HB GLU 4 -5.541 -0.938 7.804
33 HG2 GLU 4 1HG GLU 4 -7.118 0.261 6.358
34 HG3 GLU 4 2HG GLU 4 -8.073 -1.207 6.156
35 H ASN 5 H ASN 5 -3.386 -0.533 6.395
36 HA ASN 5 HA ASN 5 -4.041 1.695 4.592
37 HB2 ASN 5 1HB ASN 5 -2.235 2.872 5.737
38 HB3 ASN 5 2HB ASN 5 -3.357 2.190 6.916
39 HD21 ASN 5 2HD2 ASN 5 -1.273 2.450 8.325
40 HD22 ASN 5 1HD2 ASN 5 -0.202 1.134 8.335
41 H LYS 6 H LYS 6 -2.204 2.641 3.341
42 HA LYS 6 HA LYS 6 -1.076 0.647 1.634
43 HB2 LYS 6 1HB LYS 6 0.266 3.070 1.066
44 HB3 LYS 6 2HB LYS 6 -1.186 2.466 0.262
45 HG2 LYS 6 1HG LYS 6 -2.606 3.628 1.886
46 HG3 LYS 6 2HG LYS 6 -1.179 4.182 2.764
47 HD2 LYS 6 1HD LYS 6 -0.419 5.374 0.712
48 HD3 LYS 6 2HD LYS 6 -1.908 4.883 -0.095
49 HE2 LYS 6 1HE LYS 6 -2.343 7.076 0.720
50 HE3 LYS 6 2HE LYS 6 -3.148 5.995 1.857
51 HZ1 LYS 6 3HZ LYS 6 -1.154 7.876 2.388
52 HZ2 LYS 6 1HZ LYS 6 -0.490 6.341 2.674
53 HZ3 LYS 6 2HZ LYS 6 -1.910 6.814 3.478
54 HA PRO 7 HA PRO 7 2.882 0.324 3.641
55 HB2 PRO 7 1HB PRO 7 4.472 -0.547 1.697
56 HB3 PRO 7 2HB PRO 7 3.004 -1.470 2.085
57 HG2 PRO 7 1HG PRO 7 3.441 0.522 -0.112
58 HG3 PRO 7 2HG PRO 7 2.721 -1.099 -0.204
59 HD2 PRO 7 1HD PRO 7 1.231 1.233 0.023
60 HD3 PRO 7 2HD PRO 7 0.660 -0.365 0.565
61 H ARG 8 H ARG 8 4.808 1.001 0.964
62 HA ARG 8 HA ARG 8 5.567 3.598 2.038
63 HB2 ARG 8 1HB ARG 8 6.747 1.727 -0.009
64 HB3 ARG 8 2HB ARG 8 7.276 3.407 0.053
65 HG2 ARG 8 1HG ARG 8 7.218 1.813 2.604
66 HG3 ARG 8 2HG ARG 8 8.541 1.563 1.467
67 HD2 ARG 8 1HD ARG 8 7.740 4.325 2.389
68 HD3 ARG 8 2HD ARG 8 8.909 3.348 3.273
69 HE ARG 8 HE ARG 8 9.673 3.416 0.565
70 HH11 ARG 8 1HH2 ARG 8 9.321 5.489 3.312
71 HH12 ARG 8 2HH2 ARG 8 10.577 6.578 2.826
72 HH21 ARG 8 1HH1 ARG 8 11.323 4.840 -0.080
73 HH22 ARG 8 2HH1 ARG 8 11.710 6.210 0.905
74 H ARG 9 H ARG 9 6.092 3.362 -1.245
75 HA ARG 9 HA ARG 9 3.986 5.319 -1.859
76 HB2 ARG 9 1HB ARG 9 6.611 4.538 -3.111
77 HB3 ARG 9 2HB ARG 9 5.423 5.493 -4.001
78 HG2 ARG 9 1HG ARG 9 5.697 7.361 -2.646
79 HG3 ARG 9 2HG ARG 9 6.115 6.405 -1.224
80 HD2 ARG 9 1HD ARG 9 8.034 7.724 -2.204
81 HD3 ARG 9 2HD ARG 9 8.333 5.995 -2.046
82 HE ARG 9 HE ARG 9 7.275 6.555 -4.621
83 HH11 ARG 9 1HH2 ARG 9 10.102 6.946 -2.663
84 HH12 ARG 9 2HH2 ARG 9 11.198 6.944 -4.003
85 HH21 ARG 9 1HH1 ARG 9 8.708 6.551 -6.383
86 HH22 ARG 9 2HH1 ARG 9 10.410 6.721 -6.110
87 HA PRO 10 HA PRO 10 2.138 1.475 -3.562
88 HB2 PRO 10 1HB PRO 10 -0.051 3.347 -4.375
89 HB3 PRO 10 2HB PRO 10 -0.151 1.818 -3.480
90 HG2 PRO 10 1HG PRO 10 -0.467 4.178 -2.262
91 HG3 PRO 10 2HG PRO 10 0.335 2.814 -1.462
92 HD2 PRO 10 1HD PRO 10 1.560 5.268 -2.679
93 HD3 PRO 10 2HD PRO 10 2.039 4.357 -1.230
94 H TYR 11 H TYR 11 2.024 0.679 -5.687
95 HA TYR 11 HA TYR 11 3.501 1.944 -7.680
96 HB2 TYR 11 1HB TYR 11 2.656 0.250 -9.194
97 HB3 TYR 11 2HB TYR 11 2.939 -0.492 -7.619
98 HD1 TYR 11 HD1 TYR 11 1.065 -1.118 -6.160
99 HD2 TYR 11 HD2 TYR 11 0.398 0.606 -10.037
100 HE1 TYR 11 HE1 TYR 11 -1.312 -1.820 -6.064
101 HE2 TYR 11 HE2 TYR 11 -1.978 -0.095 -9.941
102 HH TYR 11 HH TYR 11 -3.157 -2.341 -8.095
103 H ILE 12 H ILE 12 3.084 3.600 -8.985
104 HA ILE 12 HA ILE 12 0.282 4.235 -9.701
105 HB ILE 12 HB ILE 12 1.040 5.712 -7.834
106 HG12 ILE 12 1HG1 ILE 12 0.828 7.219 -10.456
107 HG13 ILE 12 2HG1 ILE 12 -0.552 6.430 -9.690
108 HG21 ILE 12 1HG2 ILE 12 2.864 7.222 -8.127
109 HG22 ILE 12 2HG2 ILE 12 3.000 6.841 -9.844
110 HG23 ILE 12 3HG2 ILE 12 3.473 5.646 -8.636
111 HD11 ILE 12 3HD1 ILE 12 -0.206 7.778 -7.657
112 HD12 ILE 12 1HD1 ILE 12 -0.430 8.819 -9.064
113 HD13 ILE 12 2HD1 ILE 12 1.187 8.559 -8.407
114 H LEU 13 H LEU 13 -0.001 4.676 -11.801
115 HA LEU 13 HA LEU 13 2.131 5.739 -13.445
116 HB2 LEU 13 1HB LEU 13 2.678 3.324 -13.397
117 HB3 LEU 13 2HB LEU 13 1.061 2.955 -13.988
118 HG LEU 13 HG LEU 13 1.524 4.267 -16.045
119 HD11 LEU 13 1HD1 LEU 13 4.114 4.709 -16.363
120 HD12 LEU 13 2HD1 LEU 13 4.115 4.781 -14.600
121 HD13 LEU 13 3HD1 LEU 13 3.114 5.897 -15.531
122 HD21 LEU 13 3HD2 LEU 13 2.011 1.810 -15.880
123 HD22 LEU 13 1HD2 LEU 13 3.682 2.211 -15.482
124 HD23 LEU 13 2HD2 LEU 13 3.022 2.644 -17.060
Start of MODEL 36
1 H1 GLU 1 1H GLU 1 -5.559 -10.322 10.268
2 H2 GLU 1 2H GLU 1 -4.414 -11.531 9.933
3 H3 GLU 1 3H GLU 1 -6.066 -11.821 9.660
4 HA GLU 1 HA GLU 1 -4.848 -11.391 7.593
5 HB2 GLU 1 1HB GLU 1 -6.375 -9.380 6.923
6 HB3 GLU 1 2HB GLU 1 -7.137 -10.890 7.418
7 HG2 GLU 1 1HG GLU 1 -6.537 -8.703 9.415
8 HG3 GLU 1 2HG GLU 1 -8.030 -8.709 8.477
9 H LEU 2 H LEU 2 -3.944 -9.655 6.233
10 HA LEU 2 HA LEU 2 -1.883 -8.227 7.624
11 HB2 LEU 2 1HB LEU 2 -2.740 -8.071 4.722
12 HB3 LEU 2 2HB LEU 2 -1.243 -7.422 5.390
13 HG LEU 2 HG LEU 2 -2.047 -10.346 5.440
14 HD11 LEU 2 1HD1 LEU 2 0.037 -8.902 3.772
15 HD12 LEU 2 2HD1 LEU 2 -1.511 -9.497 3.171
16 HD13 LEU 2 3HD1 LEU 2 -0.293 -10.634 3.747
17 HD21 LEU 2 3HD2 LEU 2 0.551 -10.440 5.975
18 HD22 LEU 2 1HD2 LEU 2 -0.604 -10.127 7.267
19 HD23 LEU 2 2HD2 LEU 2 0.288 -8.791 6.540
20 H TYR 3 H TYR 3 -1.521 -5.914 7.474
21 HA TYR 3 HA TYR 3 -3.823 -4.421 8.232
22 HB2 TYR 3 1HB TYR 3 -1.017 -3.536 7.524
23 HB3 TYR 3 2HB TYR 3 -2.253 -2.482 8.214
24 HD1 TYR 3 HD2 TYR 3 -0.115 -5.438 8.831
25 HD2 TYR 3 HD1 TYR 3 -2.910 -2.656 10.532
26 HE1 TYR 3 HE2 TYR 3 0.455 -6.254 11.101
27 HE2 TYR 3 HE1 TYR 3 -2.341 -3.474 12.803
28 HH TYR 3 HH TYR 3 0.250 -5.835 13.308
29 H GLU 4 H GLU 4 -5.056 -2.995 7.115
30 HA GLU 4 HA GLU 4 -5.023 -3.174 4.232
31 HB2 GLU 4 1HB GLU 4 -6.782 -1.663 6.174
32 HB3 GLU 4 2HB GLU 4 -7.018 -1.653 4.425
33 HG2 GLU 4 1HG GLU 4 -7.281 -4.084 4.415
34 HG3 GLU 4 2HG GLU 4 -6.963 -4.147 6.147
35 H ASN 5 H ASN 5 -3.339 -1.304 6.402
36 HA ASN 5 HA ASN 5 -3.480 1.275 5.229
37 HB2 ASN 5 1HB ASN 5 -1.283 -0.062 6.825
38 HB3 ASN 5 2HB ASN 5 -1.294 1.644 6.386
39 HD21 ASN 5 2HD2 ASN 5 -4.443 1.373 6.742
40 HD22 ASN 5 1HD2 ASN 5 -4.623 1.561 8.419
41 H LYS 6 H LYS 6 -2.499 2.132 3.484
42 HA LYS 6 HA LYS 6 -1.510 0.620 1.408
43 HB2 LYS 6 1HB LYS 6 -0.176 3.249 1.515
44 HB3 LYS 6 2HB LYS 6 -1.345 2.634 0.343
45 HG2 LYS 6 1HG LYS 6 -3.160 3.073 2.041
46 HG3 LYS 6 2HG LYS 6 -1.950 3.884 3.034
47 HD2 LYS 6 1HD LYS 6 -1.437 5.327 0.987
48 HD3 LYS 6 2HD LYS 6 -2.907 4.664 0.273
49 HE2 LYS 6 1HE LYS 6 -4.079 5.400 2.455
50 HE3 LYS 6 2HE LYS 6 -2.637 6.373 2.745
51 HZ1 LYS 6 3HZ LYS 6 -4.010 7.808 1.598
52 HZ2 LYS 6 1HZ LYS 6 -4.618 6.598 0.578
53 HZ3 LYS 6 2HZ LYS 6 -3.039 7.182 0.352
54 HA PRO 7 HA PRO 7 2.714 -0.166 2.596
55 HB2 PRO 7 1HB PRO 7 3.902 -0.641 0.284
56 HB3 PRO 7 2HB PRO 7 2.413 -1.534 0.654
57 HG2 PRO 7 1HG PRO 7 2.747 0.931 -1.018
58 HG3 PRO 7 2HG PRO 7 1.884 -0.575 -1.413
59 HD2 PRO 7 1HD PRO 7 0.648 1.692 -0.367
60 HD3 PRO 7 2HD PRO 7 0.004 0.039 -0.199
61 H ARG 8 H ARG 8 4.511 0.916 0.083
62 HA ARG 8 HA ARG 8 5.310 3.337 1.488
63 HB2 ARG 8 1HB ARG 8 6.990 1.705 0.550
64 HB3 ARG 8 2HB ARG 8 6.452 2.163 -1.063
65 HG2 ARG 8 1HG ARG 8 7.035 4.540 -0.537
66 HG3 ARG 8 2HG ARG 8 7.662 4.005 1.021
67 HD2 ARG 8 1HD ARG 8 8.645 2.969 -1.649
68 HD3 ARG 8 2HD ARG 8 9.434 4.251 -0.734
69 HE ARG 8 HE ARG 8 9.208 2.171 1.049
70 HH11 ARG 8 1HH2 ARG 8 10.542 2.630 -2.113
71 HH12 ARG 8 2HH2 ARG 8 11.784 1.441 -1.909
72 HH21 ARG 8 1HH1 ARG 8 10.839 0.622 1.324
73 HH22 ARG 8 2HH1 ARG 8 11.954 0.305 0.036
74 H ARG 9 H ARG 9 5.792 3.567 -1.837
75 HA ARG 9 HA ARG 9 3.671 5.589 -2.092
76 HB2 ARG 9 1HB ARG 9 6.141 4.960 -3.718
77 HB3 ARG 9 2HB ARG 9 4.921 6.122 -4.235
78 HG2 ARG 9 1HG ARG 9 6.005 6.436 -1.452
79 HG3 ARG 9 2HG ARG 9 7.077 6.860 -2.785
80 HD2 ARG 9 1HD ARG 9 5.818 8.830 -2.060
81 HD3 ARG 9 2HD ARG 9 5.349 8.374 -3.695
82 HE ARG 9 HE ARG 9 3.686 7.297 -1.549
83 HH11 ARG 9 1HH2 ARG 9 4.238 9.775 -3.903
84 HH12 ARG 9 2HH2 ARG 9 2.582 10.276 -3.964
85 HH21 ARG 9 1HH1 ARG 9 1.510 7.941 -1.637
86 HH22 ARG 9 2HH1 ARG 9 1.039 9.241 -2.682
87 HA PRO 10 HA PRO 10 1.582 2.052 -4.107
88 HB2 PRO 10 1HB PRO 10 -0.411 4.163 -4.845
89 HB3 PRO 10 2HB PRO 10 -0.675 2.583 -4.084
90 HG2 PRO 10 1HG PRO 10 -0.820 4.865 -2.691
91 HG3 PRO 10 2HG PRO 10 -0.196 3.366 -1.977
92 HD2 PRO 10 1HD PRO 10 1.311 5.793 -2.882
93 HD3 PRO 10 2HD PRO 10 1.667 4.661 -1.557
94 H TYR 11 H TYR 11 1.553 1.361 -6.238
95 HA TYR 11 HA TYR 11 3.144 2.561 -8.147
96 HB2 TYR 11 1HB TYR 11 2.111 1.057 -9.769
97 HB3 TYR 11 2HB TYR 11 2.369 0.211 -8.244
98 HD1 TYR 11 HD1 TYR 11 0.457 -0.162 -6.678
99 HD2 TYR 11 HD2 TYR 11 -0.100 1.476 -10.610
100 HE1 TYR 11 HE1 TYR 11 -1.965 -0.678 -6.549
101 HE2 TYR 11 HE2 TYR 11 -2.525 0.962 -10.479
102 HH TYR 11 HH TYR 11 -3.897 -1.012 -8.892
103 H ILE 12 H ILE 12 2.952 4.399 -9.226
104 HA ILE 12 HA ILE 12 0.266 5.326 -10.061
105 HB ILE 12 HB ILE 12 1.312 6.541 -8.024
106 HG12 ILE 12 1HG1 ILE 12 0.597 8.781 -8.924
107 HG13 ILE 12 2HG1 ILE 12 0.468 8.054 -10.518
108 HG21 ILE 12 1HG2 ILE 12 3.040 8.116 -8.418
109 HG22 ILE 12 2HG2 ILE 12 2.915 7.937 -10.168
110 HG23 ILE 12 3HG2 ILE 12 3.594 6.632 -9.196
111 HD11 ILE 12 3HD1 ILE 12 -0.989 6.675 -8.302
112 HD12 ILE 12 1HD1 ILE 12 -1.450 6.903 -9.989
113 HD13 ILE 12 2HD1 ILE 12 -1.626 8.225 -8.841
114 H LEU 13 H LEU 13 3.027 4.099 -11.117
115 HA LEU 13 HA LEU 13 4.261 5.689 -12.951
116 HB2 LEU 13 1HB LEU 13 3.335 2.859 -13.507
117 HB3 LEU 13 2HB LEU 13 4.676 3.697 -14.285
118 HG LEU 13 HG LEU 13 4.499 3.071 -11.321
119 HD11 LEU 13 1HD1 LEU 13 4.816 1.079 -12.815
120 HD12 LEU 13 2HD1 LEU 13 6.191 1.383 -11.755
121 HD13 LEU 13 3HD1 LEU 13 6.270 1.845 -13.455
122 HD21 LEU 13 3HD2 LEU 13 6.511 4.513 -13.048
123 HD22 LEU 13 1HD2 LEU 13 7.047 3.660 -11.600
124 HD23 LEU 13 2HD2 LEU 13 5.878 4.970 -11.467
Start of MODEL 37
1 H1 GLU 1 1H GLU 1 -2.332 -11.375 6.254
2 H2 GLU 1 2H GLU 1 -3.955 -10.874 6.200
3 H3 GLU 1 3H GLU 1 -3.461 -12.045 7.327
4 HA GLU 1 HA GLU 1 -3.770 -9.893 8.387
5 HB2 GLU 1 1HB GLU 1 -1.458 -9.754 9.379
6 HB3 GLU 1 2HB GLU 1 -2.135 -11.384 9.367
7 HG2 GLU 1 1HG GLU 1 -0.893 -11.880 7.289
8 HG3 GLU 1 2HG GLU 1 -0.199 -10.260 7.319
9 H LEU 2 H LEU 2 -4.055 -8.947 5.886
10 HA LEU 2 HA LEU 2 -1.892 -7.257 5.039
11 HB2 LEU 2 1HB LEU 2 -4.826 -7.325 4.305
12 HB3 LEU 2 2HB LEU 2 -3.647 -6.264 3.540
13 HG LEU 2 HG LEU 2 -3.372 -9.283 3.642
14 HD11 LEU 2 1HD1 LEU 2 -5.324 -8.854 2.339
15 HD12 LEU 2 2HD1 LEU 2 -4.017 -9.082 1.175
16 HD13 LEU 2 3HD1 LEU 2 -4.583 -7.455 1.561
17 HD21 LEU 2 3HD2 LEU 2 -1.825 -7.034 2.355
18 HD22 LEU 2 1HD2 LEU 2 -1.871 -8.609 1.561
19 HD23 LEU 2 2HD2 LEU 2 -1.224 -8.465 3.191
20 H TYR 3 H TYR 3 -1.647 -5.060 5.292
21 HA TYR 3 HA TYR 3 -2.822 -3.915 7.673
22 HB2 TYR 3 1HB TYR 3 -0.887 -2.807 5.626
23 HB3 TYR 3 2HB TYR 3 -1.380 -1.956 7.090
24 HD1 TYR 3 HD1 TYR 3 0.377 -4.952 5.787
25 HD2 TYR 3 HD2 TYR 3 -0.539 -2.581 9.250
26 HE1 TYR 3 HE1 TYR 3 2.086 -6.193 7.088
27 HE2 TYR 3 HE2 TYR 3 1.167 -3.824 10.553
28 HH TYR 3 HH TYR 3 3.475 -5.239 9.676
29 H GLU 4 H GLU 4 -4.298 -2.269 7.800
30 HA GLU 4 HA GLU 4 -6.133 -1.943 5.663
31 HB2 GLU 4 1HB GLU 4 -7.220 -0.293 7.097
32 HB3 GLU 4 2HB GLU 4 -6.759 -1.709 8.039
33 HG2 GLU 4 1HG GLU 4 -5.906 -0.099 9.457
34 HG3 GLU 4 2HG GLU 4 -4.511 -0.243 8.393
35 H ASN 5 H ASN 5 -3.428 0.004 6.837
36 HA ASN 5 HA ASN 5 -3.954 2.100 4.856
37 HB2 ASN 5 1HB ASN 5 -2.130 3.287 5.908
38 HB3 ASN 5 2HB ASN 5 -3.189 2.660 7.170
39 HD21 ASN 5 2HD2 ASN 5 -0.408 3.281 7.647
40 HD22 ASN 5 1HD2 ASN 5 0.396 1.826 7.992
41 H LYS 6 H LYS 6 -2.813 2.388 3.005
42 HA LYS 6 HA LYS 6 -1.528 0.286 1.750
43 HB2 LYS 6 1HB LYS 6 -1.512 3.260 1.326
44 HB3 LYS 6 2HB LYS 6 -0.416 2.262 0.369
45 HG2 LYS 6 1HG LYS 6 -2.549 2.592 -0.821
46 HG3 LYS 6 2HG LYS 6 -2.344 0.896 -0.385
47 HD2 LYS 6 1HD LYS 6 -3.837 1.123 1.498
48 HD3 LYS 6 2HD LYS 6 -3.909 2.873 1.293
49 HE2 LYS 6 1HE LYS 6 -5.915 1.689 0.368
50 HE3 LYS 6 2HE LYS 6 -5.040 2.625 -0.846
51 HZ1 LYS 6 3HZ LYS 6 -4.892 -0.303 -0.394
52 HZ2 LYS 6 1HZ LYS 6 -3.849 0.545 -1.428
53 HZ3 LYS 6 2HZ LYS 6 -5.516 0.497 -1.756
54 HA PRO 7 HA PRO 7 2.567 0.477 3.523
55 HB2 PRO 7 1HB PRO 7 3.988 -0.965 1.786
56 HB3 PRO 7 2HB PRO 7 2.610 -1.716 2.621
57 HG2 PRO 7 1HG PRO 7 2.734 -0.576 -0.148
58 HG3 PRO 7 2HG PRO 7 2.046 -2.119 0.397
59 HD2 PRO 7 1HD PRO 7 0.542 0.180 -0.014
60 HD3 PRO 7 2HD PRO 7 0.069 -1.137 1.089
61 H ARG 8 H ARG 8 4.113 0.261 0.509
62 HA ARG 8 HA ARG 8 5.036 3.011 0.658
63 HB2 ARG 8 1HB ARG 8 6.541 0.995 0.143
64 HB3 ARG 8 2HB ARG 8 5.737 0.932 -1.425
65 HG2 ARG 8 1HG ARG 8 6.480 3.197 -1.944
66 HG3 ARG 8 2HG ARG 8 7.183 3.368 -0.335
67 HD2 ARG 8 1HD ARG 8 8.680 1.429 -0.852
68 HD3 ARG 8 2HD ARG 8 8.038 1.420 -2.493
69 HE ARG 8 HE ARG 8 9.051 4.001 -1.722
70 HH11 ARG 8 1HH2 ARG 8 9.874 0.837 -2.857
71 HH12 ARG 8 2HH2 ARG 8 11.316 1.353 -3.666
72 HH21 ARG 8 1HH1 ARG 8 10.938 4.685 -2.781
73 HH22 ARG 8 2HH1 ARG 8 11.922 3.531 -3.620
74 H ARG 9 H ARG 9 5.044 4.205 -1.580
75 HA ARG 9 HA ARG 9 2.375 4.564 -2.377
76 HB2 ARG 9 1HB ARG 9 4.914 5.168 -3.915
77 HB3 ARG 9 2HB ARG 9 3.322 5.826 -4.284
78 HG2 ARG 9 1HG ARG 9 4.442 6.176 -1.506
79 HG3 ARG 9 2HG ARG 9 5.025 7.216 -2.802
80 HD2 ARG 9 1HD ARG 9 2.115 6.861 -2.027
81 HD3 ARG 9 2HD ARG 9 3.119 8.245 -1.612
82 HE ARG 9 HE ARG 9 1.927 7.691 -4.192
83 HH11 ARG 9 1HH2 ARG 9 4.445 9.284 -2.435
84 HH12 ARG 9 2HH2 ARG 9 4.708 10.501 -3.639
85 HH21 ARG 9 1HH1 ARG 9 2.271 9.275 -5.782
86 HH22 ARG 9 2HH1 ARG 9 3.485 10.488 -5.541
87 HA PRO 10 HA PRO 10 2.180 0.546 -4.497
88 HB2 PRO 10 1HB PRO 10 -0.270 1.791 -5.715
89 HB3 PRO 10 2HB PRO 10 -0.069 0.191 -4.972
90 HG2 PRO 10 1HG PRO 10 -1.298 2.163 -3.679
91 HG3 PRO 10 2HG PRO 10 -0.240 1.022 -2.826
92 HD2 PRO 10 1HD PRO 10 0.287 3.872 -3.593
93 HD3 PRO 10 2HD PRO 10 0.836 2.958 -2.173
94 H TYR 11 H TYR 11 1.149 0.206 -7.042
95 HA TYR 11 HA TYR 11 3.258 1.162 -8.700
96 HB2 TYR 11 1HB TYR 11 0.654 -0.212 -9.393
97 HB3 TYR 11 2HB TYR 11 1.968 0.080 -10.532
98 HD1 TYR 11 HD1 TYR 11 0.983 -1.731 -7.455
99 HD2 TYR 11 HD2 TYR 11 4.000 -1.216 -10.469
100 HE1 TYR 11 HE1 TYR 11 2.120 -3.790 -6.668
101 HE2 TYR 11 HE2 TYR 11 5.138 -3.274 -9.682
102 HH TYR 11 HH TYR 11 3.773 -5.226 -7.027
103 H ILE 12 H ILE 12 1.206 3.119 -7.428
104 HA ILE 12 HA ILE 12 -0.085 4.352 -9.681
105 HB ILE 12 HB ILE 12 -0.558 6.190 -8.047
106 HG12 ILE 12 1HG1 ILE 12 0.849 4.359 -6.080
107 HG13 ILE 12 2HG1 ILE 12 1.574 5.826 -6.740
108 HG21 ILE 12 1HG2 ILE 12 -2.144 4.379 -8.243
109 HG22 ILE 12 2HG2 ILE 12 -1.945 4.729 -6.528
110 HG23 ILE 12 3HG2 ILE 12 -1.146 3.330 -7.240
111 HD11 ILE 12 3HD1 ILE 12 -0.341 7.141 -5.844
112 HD12 ILE 12 1HD1 ILE 12 0.562 6.320 -4.571
113 HD13 ILE 12 2HD1 ILE 12 -0.982 5.668 -5.117
114 H LEU 13 H LEU 13 2.522 4.046 -10.396
115 HA LEU 13 HA LEU 13 4.430 5.908 -9.881
116 HB2 LEU 13 1HB LEU 13 4.264 4.018 -11.718
117 HB3 LEU 13 2HB LEU 13 3.771 5.344 -12.761
118 HG LEU 13 HG LEU 13 6.153 5.106 -12.987
119 HD11 LEU 13 1HD1 LEU 13 5.156 7.433 -12.730
120 HD12 LEU 13 2HD1 LEU 13 6.889 7.305 -12.440
121 HD13 LEU 13 3HD1 LEU 13 5.776 7.418 -11.078
122 HD21 LEU 13 3HD2 LEU 13 6.257 3.996 -10.552
123 HD22 LEU 13 1HD2 LEU 13 6.706 5.635 -10.082
124 HD23 LEU 13 2HD2 LEU 13 7.668 4.763 -11.271
Start of MODEL 38
1 H1 GLU 1 1H GLU 1 -2.964 -8.098 8.786
2 H2 GLU 1 2H GLU 1 -1.945 -8.884 9.895
3 H3 GLU 1 3H GLU 1 -3.092 -9.773 9.009
4 HA GLU 1 HA GLU 1 -0.484 -8.769 8.202
5 HB2 GLU 1 1HB GLU 1 -0.989 -11.175 8.593
6 HB3 GLU 1 2HB GLU 1 -2.196 -11.107 7.308
7 HG2 GLU 1 1HG GLU 1 -0.470 -10.499 5.681
8 HG3 GLU 1 2HG GLU 1 0.750 -10.476 6.953
9 H LEU 2 H LEU 2 -3.778 -8.462 7.313
10 HA LEU 2 HA LEU 2 -3.378 -8.031 4.499
11 HB2 LEU 2 1HB LEU 2 -5.700 -7.209 6.258
12 HB3 LEU 2 2HB LEU 2 -5.710 -7.343 4.500
13 HG LEU 2 HG LEU 2 -5.166 -9.639 6.407
14 HD11 LEU 2 1HD1 LEU 2 -7.504 -8.853 6.527
15 HD12 LEU 2 2HD1 LEU 2 -7.412 -10.426 5.737
16 HD13 LEU 2 3HD1 LEU 2 -7.637 -8.967 4.772
17 HD21 LEU 2 3HD2 LEU 2 -5.713 -10.901 4.162
18 HD22 LEU 2 1HD2 LEU 2 -4.103 -10.226 4.394
19 HD23 LEU 2 2HD2 LEU 2 -5.283 -9.370 3.401
20 H TYR 3 H TYR 3 -3.177 -6.120 3.396
21 HA TYR 3 HA TYR 3 -2.165 -3.859 4.895
22 HB2 TYR 3 1HB TYR 3 -2.615 -4.258 1.928
23 HB3 TYR 3 2HB TYR 3 -1.808 -2.866 2.650
24 HD1 TYR 3 HD1 TYR 3 -1.570 -6.471 1.935
25 HD2 TYR 3 HD2 TYR 3 0.398 -3.073 3.681
26 HE1 TYR 3 HE1 TYR 3 0.563 -7.736 1.996
27 HE2 TYR 3 HE2 TYR 3 2.529 -4.339 3.741
28 HH TYR 3 HH TYR 3 2.896 -7.323 3.725
29 H GLU 4 H GLU 4 -3.939 -3.059 6.055
30 HA GLU 4 HA GLU 4 -6.461 -2.468 4.881
31 HB2 GLU 4 1HB GLU 4 -5.107 -1.418 7.376
32 HB3 GLU 4 2HB GLU 4 -6.772 -1.041 6.927
33 HG2 GLU 4 1HG GLU 4 -7.347 -3.422 6.951
34 HG3 GLU 4 2HG GLU 4 -5.675 -3.840 7.323
35 H ASN 5 H ASN 5 -3.521 -0.582 5.425
36 HA ASN 5 HA ASN 5 -4.647 1.610 3.763
37 HB2 ASN 5 1HB ASN 5 -2.634 1.722 6.021
38 HB3 ASN 5 2HB ASN 5 -3.032 3.082 4.974
39 HD21 ASN 5 2HD2 ASN 5 -5.951 1.974 4.921
40 HD22 ASN 5 1HD2 ASN 5 -6.596 2.524 6.390
41 H LYS 6 H LYS 6 -2.417 3.002 3.183
42 HA LYS 6 HA LYS 6 -1.180 1.382 1.177
43 HB2 LYS 6 1HB LYS 6 -0.066 4.056 2.003
44 HB3 LYS 6 2HB LYS 6 -0.193 3.353 0.394
45 HG2 LYS 6 1HG LYS 6 -2.501 4.374 2.078
46 HG3 LYS 6 2HG LYS 6 -1.838 5.145 0.639
47 HD2 LYS 6 1HD LYS 6 -2.425 3.085 -0.668
48 HD3 LYS 6 2HD LYS 6 -3.228 2.453 0.769
49 HE2 LYS 6 1HE LYS 6 -4.809 3.594 -0.794
50 HE3 LYS 6 2HE LYS 6 -4.762 4.345 0.801
51 HZ1 LYS 6 3HZ LYS 6 -3.649 6.160 0.019
52 HZ2 LYS 6 1HZ LYS 6 -4.563 5.776 -1.357
53 HZ3 LYS 6 2HZ LYS 6 -2.929 5.319 -1.270
54 HA PRO 7 HA PRO 7 2.364 0.251 3.664
55 HB2 PRO 7 1HB PRO 7 4.001 -0.764 1.840
56 HB3 PRO 7 2HB PRO 7 2.367 -1.448 1.977
57 HG2 PRO 7 1HG PRO 7 3.361 0.630 0.058
58 HG3 PRO 7 2HG PRO 7 2.479 -0.875 -0.294
59 HD2 PRO 7 1HD PRO 7 1.223 1.565 -0.037
60 HD3 PRO 7 2HD PRO 7 0.430 0.017 0.351
61 H ARG 8 H ARG 8 4.845 0.663 1.571
62 HA ARG 8 HA ARG 8 5.571 3.252 2.686
63 HB2 ARG 8 1HB ARG 8 7.264 1.434 2.583
64 HB3 ARG 8 2HB ARG 8 7.134 1.433 0.828
65 HG2 ARG 8 1HG ARG 8 7.840 3.808 0.783
66 HG3 ARG 8 2HG ARG 8 8.000 3.781 2.541
67 HD2 ARG 8 1HD ARG 8 9.502 1.925 0.678
68 HD3 ARG 8 2HD ARG 8 10.168 3.422 1.320
69 HE ARG 8 HE ARG 8 9.235 1.911 3.489
70 HH11 ARG 8 1HH2 ARG 8 11.607 1.761 0.972
71 HH12 ARG 8 2HH2 ARG 8 12.733 0.827 1.902
72 HH21 ARG 8 1HH1 ARG 8 10.707 0.689 4.711
73 HH22 ARG 8 2HH1 ARG 8 12.224 0.221 4.017
74 H ARG 9 H ARG 9 6.380 2.206 -0.549
75 HA ARG 9 HA ARG 9 5.166 4.645 -1.643
76 HB2 ARG 9 1HB ARG 9 7.268 2.717 -2.606
77 HB3 ARG 9 2HB ARG 9 6.448 3.777 -3.749
78 HG2 ARG 9 1HG ARG 9 7.616 4.968 -1.238
79 HG3 ARG 9 2HG ARG 9 8.694 4.562 -2.570
80 HD2 ARG 9 1HD ARG 9 7.352 5.952 -4.097
81 HD3 ARG 9 2HD ARG 9 6.254 6.352 -2.781
82 HE ARG 9 HE ARG 9 8.890 7.460 -3.225
83 HH11 ARG 9 1HH2 ARG 9 6.376 6.755 -0.955
84 HH12 ARG 9 2HH2 ARG 9 6.849 7.992 0.163
85 HH21 ARG 9 1HH1 ARG 9 9.516 9.084 -1.765
86 HH22 ARG 9 2HH1 ARG 9 8.626 9.309 -0.296
87 HA PRO 10 HA PRO 10 2.048 1.551 -2.791
88 HB2 PRO 10 1HB PRO 10 0.022 3.227 -3.509
89 HB3 PRO 10 2HB PRO 10 0.443 2.910 -1.813
90 HG2 PRO 10 1HG PRO 10 1.151 5.248 -3.530
91 HG3 PRO 10 2HG PRO 10 0.646 5.211 -1.830
92 HD2 PRO 10 1HD PRO 10 3.275 5.445 -2.631
93 HD3 PRO 10 2HD PRO 10 2.788 4.744 -1.068
94 H TYR 11 H TYR 11 0.874 0.974 -4.814
95 HA TYR 11 HA TYR 11 2.527 1.276 -7.097
96 HB2 TYR 11 1HB TYR 11 -0.347 0.337 -6.920
97 HB3 TYR 11 2HB TYR 11 0.733 0.092 -8.292
98 HD1 TYR 11 HD1 TYR 11 2.832 -1.281 -7.992
99 HD2 TYR 11 HD2 TYR 11 -0.238 -1.065 -4.996
100 HE1 TYR 11 HE1 TYR 11 3.740 -3.322 -6.913
101 HE2 TYR 11 HE2 TYR 11 0.670 -3.104 -3.917
102 HH TYR 11 HH TYR 11 2.044 -4.926 -4.300
103 H ILE 12 H ILE 12 2.501 2.687 -8.730
104 HA ILE 12 HA ILE 12 0.209 4.514 -9.066
105 HB ILE 12 HB ILE 12 1.939 5.648 -7.660
106 HG12 ILE 12 1HG1 ILE 12 2.163 7.665 -9.112
107 HG13 ILE 12 2HG1 ILE 12 1.621 6.714 -10.491
108 HG21 ILE 12 1HG2 ILE 12 3.838 4.353 -8.800
109 HG22 ILE 12 2HG2 ILE 12 4.129 6.064 -8.496
110 HG23 ILE 12 3HG2 ILE 12 3.698 5.517 -10.116
111 HD11 ILE 12 3HD1 ILE 12 -0.094 8.172 -9.074
112 HD12 ILE 12 1HD1 ILE 12 -0.106 6.746 -8.036
113 HD13 ILE 12 2HD1 ILE 12 -0.567 6.608 -9.734
114 H LEU 13 H LEU 13 -0.332 4.776 -11.152
115 HA LEU 13 HA LEU 13 1.644 4.499 -13.262
116 HB2 LEU 13 1HB LEU 13 0.095 2.773 -14.433
117 HB3 LEU 13 2HB LEU 13 1.210 2.204 -13.201
118 HG LEU 13 HG LEU 13 -1.160 1.292 -13.061
119 HD11 LEU 13 1HD1 LEU 13 -0.730 2.714 -10.472
120 HD12 LEU 13 2HD1 LEU 13 0.600 1.715 -11.055
121 HD13 LEU 13 3HD1 LEU 13 -0.988 1.006 -10.805
122 HD21 LEU 13 3HD2 LEU 13 -1.829 4.042 -11.982
123 HD22 LEU 13 1HD2 LEU 13 -2.924 2.685 -12.219
124 HD23 LEU 13 2HD2 LEU 13 -2.237 3.509 -13.615
Start of MODEL 39
1 H1 GLU 1 1H GLU 1 -4.341 -9.706 9.673
2 H2 GLU 1 2H GLU 1 -5.674 -9.711 8.621
3 H3 GLU 1 3H GLU 1 -4.560 -8.430 8.579
4 HA GLU 1 HA GLU 1 -2.904 -10.434 8.128
5 HB2 GLU 1 1HB GLU 1 -5.029 -11.928 8.196
6 HB3 GLU 1 2HB GLU 1 -5.382 -11.252 6.606
7 HG2 GLU 1 1HG GLU 1 -2.783 -12.631 7.351
8 HG3 GLU 1 2HG GLU 1 -4.113 -13.402 6.489
9 H LEU 2 H LEU 2 -5.569 -8.703 6.575
10 HA LEU 2 HA LEU 2 -4.133 -8.240 4.123
11 HB2 LEU 2 1HB LEU 2 -6.625 -6.911 5.215
12 HB3 LEU 2 2HB LEU 2 -6.061 -6.846 3.545
13 HG LEU 2 HG LEU 2 -6.776 -9.403 5.014
14 HD11 LEU 2 1HD1 LEU 2 -8.346 -7.727 3.027
15 HD12 LEU 2 2HD1 LEU 2 -8.775 -8.051 4.706
16 HD13 LEU 2 3HD1 LEU 2 -8.799 -9.359 3.524
17 HD21 LEU 2 3HD2 LEU 2 -6.898 -10.140 2.483
18 HD22 LEU 2 1HD2 LEU 2 -5.329 -10.045 3.278
19 HD23 LEU 2 2HD2 LEU 2 -5.858 -8.742 2.212
20 H TYR 3 H TYR 3 -2.856 -6.550 3.597
21 HA TYR 3 HA TYR 3 -2.091 -4.686 5.677
22 HB2 TYR 3 1HB TYR 3 -1.205 -4.941 2.794
23 HB3 TYR 3 2HB TYR 3 -0.487 -3.851 3.981
24 HD1 TYR 3 HD2 TYR 3 0.580 -4.802 6.056
25 HD2 TYR 3 HD1 TYR 3 -0.652 -7.265 2.759
26 HE1 TYR 3 HE2 TYR 3 2.006 -6.646 6.901
27 HE2 TYR 3 HE1 TYR 3 0.775 -9.109 3.604
28 HH TYR 3 HH TYR 3 2.395 -8.893 6.723
29 H GLU 4 H GLU 4 -4.195 -3.656 5.900
30 HA GLU 4 HA GLU 4 -5.406 -2.185 3.793
31 HB2 GLU 4 1HB GLU 4 -5.592 -1.934 6.801
32 HB3 GLU 4 2HB GLU 4 -6.580 -0.994 5.681
33 HG2 GLU 4 1HG GLU 4 -7.485 -3.053 4.710
34 HG3 GLU 4 2HG GLU 4 -6.458 -4.021 5.765
35 H ASN 5 H ASN 5 -3.008 -1.366 6.254
36 HA ASN 5 HA ASN 5 -2.933 1.429 5.682
37 HB2 ASN 5 1HB ASN 5 -0.918 1.462 7.023
38 HB3 ASN 5 2HB ASN 5 -2.099 0.411 7.801
39 HD21 ASN 5 2HD2 ASN 5 1.070 0.483 7.489
40 HD22 ASN 5 1HD2 ASN 5 1.426 -1.151 7.194
41 H LYS 6 H LYS 6 -1.709 2.573 4.262
42 HA LYS 6 HA LYS 6 -0.567 1.170 2.027
43 HB2 LYS 6 1HB LYS 6 -0.764 4.085 2.781
44 HB3 LYS 6 2HB LYS 6 0.087 3.553 1.334
45 HG2 LYS 6 1HG LYS 6 -1.871 2.720 0.328
46 HG3 LYS 6 2HG LYS 6 -2.740 2.625 1.858
47 HD2 LYS 6 1HD LYS 6 -1.812 5.319 0.873
48 HD3 LYS 6 2HD LYS 6 -3.249 4.596 0.157
49 HE2 LYS 6 1HE LYS 6 -2.828 5.094 3.121
50 HE3 LYS 6 2HE LYS 6 -3.850 6.051 2.052
51 HZ1 LYS 6 3HZ LYS 6 -5.326 4.573 2.998
52 HZ2 LYS 6 1HZ LYS 6 -4.228 3.281 2.980
53 HZ3 LYS 6 2HZ LYS 6 -4.948 3.804 1.532
54 HA PRO 7 HA PRO 7 3.627 1.378 3.608
55 HB2 PRO 7 1HB PRO 7 5.022 0.640 1.484
56 HB3 PRO 7 2HB PRO 7 3.729 -0.441 2.043
57 HG2 PRO 7 1HG PRO 7 3.623 1.617 -0.135
58 HG3 PRO 7 2HG PRO 7 3.170 -0.103 -0.211
59 HD2 PRO 7 1HD PRO 7 1.338 1.903 0.263
60 HD3 PRO 7 2HD PRO 7 1.146 0.243 0.883
61 H ARG 8 H ARG 8 5.426 2.214 1.050
62 HA ARG 8 HA ARG 8 5.446 5.042 1.756
63 HB2 ARG 8 1HB ARG 8 7.599 3.822 1.460
64 HB3 ARG 8 2HB ARG 8 7.180 3.530 -0.225
65 HG2 ARG 8 1HG ARG 8 7.101 5.955 -0.642
66 HG3 ARG 8 2HG ARG 8 7.456 6.268 1.055
67 HD2 ARG 8 1HD ARG 8 9.276 4.704 -0.792
68 HD3 ARG 8 2HD ARG 8 9.467 6.420 -0.440
69 HE ARG 8 HE ARG 8 9.334 5.031 2.004
70 HH11 ARG 8 1HH2 ARG 8 11.348 5.341 -0.795
71 HH12 ARG 8 2HH2 ARG 8 12.818 5.006 0.059
72 HH21 ARG 8 1HH1 ARG 8 11.256 4.587 3.124
73 HH22 ARG 8 2HH1 ARG 8 12.766 4.583 2.278
74 H ARG 9 H ARG 9 6.192 4.202 -1.493
75 HA ARG 9 HA ARG 9 3.818 5.662 -2.424
76 HB2 ARG 9 1HB ARG 9 5.016 5.686 -4.630
77 HB3 ARG 9 2HB ARG 9 5.857 6.542 -3.343
78 HG2 ARG 9 1HG ARG 9 7.116 4.288 -2.968
79 HG3 ARG 9 2HG ARG 9 6.510 3.859 -4.565
80 HD2 ARG 9 1HD ARG 9 8.781 4.879 -4.648
81 HD3 ARG 9 2HD ARG 9 7.586 5.808 -5.549
82 HE ARG 9 HE ARG 9 7.580 6.952 -3.059
83 HH11 ARG 9 1HH2 ARG 9 10.000 6.175 -5.409
84 HH12 ARG 9 2HH2 ARG 9 11.018 7.517 -5.004
85 HH21 ARG 9 1HH1 ARG 9 8.908 8.698 -2.515
86 HH22 ARG 9 2HH1 ARG 9 10.401 8.948 -3.358
87 HA PRO 10 HA PRO 10 2.501 1.424 -3.275
88 HB2 PRO 10 1HB PRO 10 -0.083 1.913 -4.021
89 HB3 PRO 10 2HB PRO 10 0.449 1.945 -2.327
90 HG2 PRO 10 1HG PRO 10 -0.025 4.219 -4.204
91 HG3 PRO 10 2HG PRO 10 -0.434 4.073 -2.484
92 HD2 PRO 10 1HD PRO 10 1.768 5.448 -3.407
93 HD3 PRO 10 2HD PRO 10 1.692 4.700 -1.794
94 H TYR 11 H TYR 11 1.004 0.507 -5.251
95 HA TYR 11 HA TYR 11 2.549 0.998 -7.612
96 HB2 TYR 11 1HB TYR 11 1.062 -0.684 -8.655
97 HB3 TYR 11 2HB TYR 11 1.723 -1.249 -7.123
98 HD1 TYR 11 HD2 TYR 11 0.288 -1.061 -5.024
99 HD2 TYR 11 HD1 TYR 11 -1.293 -0.515 -8.984
100 HE1 TYR 11 HE2 TYR 11 -2.004 -1.416 -4.158
101 HE2 TYR 11 HE1 TYR 11 -3.586 -0.876 -8.114
102 HH TYR 11 HH TYR 11 -4.229 -2.213 -5.132
103 H ILE 12 H ILE 12 1.914 3.387 -7.461
104 HA ILE 12 HA ILE 12 -0.677 4.237 -8.224
105 HB ILE 12 HB ILE 12 2.032 5.563 -8.476
106 HG12 ILE 12 1HG1 ILE 12 -0.265 6.139 -6.590
107 HG13 ILE 12 2HG1 ILE 12 1.041 5.024 -6.188
108 HG21 ILE 12 1HG2 ILE 12 0.655 6.636 -10.109
109 HG22 ILE 12 2HG2 ILE 12 0.586 7.666 -8.679
110 HG23 ILE 12 3HG2 ILE 12 -0.758 6.587 -9.052
111 HD11 ILE 12 3HD1 ILE 12 2.688 6.838 -6.565
112 HD12 ILE 12 1HD1 ILE 12 1.536 7.254 -5.296
113 HD13 ILE 12 2HD1 ILE 12 1.365 7.952 -6.906
114 H LEU 13 H LEU 13 2.268 3.578 -10.102
115 HA LEU 13 HA LEU 13 2.612 3.356 -12.371
116 HB2 LEU 13 1HB LEU 13 -0.213 2.271 -12.227
117 HB3 LEU 13 2HB LEU 13 0.928 2.005 -13.544
118 HG LEU 13 HG LEU 13 1.387 1.167 -10.664
119 HD11 LEU 13 1HD1 LEU 13 -0.379 -0.184 -11.591
120 HD12 LEU 13 2HD1 LEU 13 1.097 -1.149 -11.661
121 HD13 LEU 13 3HD1 LEU 13 0.486 -0.366 -13.117
122 HD21 LEU 13 3HD2 LEU 13 3.538 1.380 -11.569
123 HD22 LEU 13 1HD2 LEU 13 3.005 0.990 -13.205
124 HD23 LEU 13 2HD2 LEU 13 3.161 -0.285 -11.997
Start of MODEL 40
1 H1 GLU 1 1H GLU 1 -4.630 -9.794 9.422
2 H2 GLU 1 2H GLU 1 -3.449 -8.941 10.294
3 H3 GLU 1 3H GLU 1 -3.752 -10.575 10.646
4 HA GLU 1 HA GLU 1 -1.700 -10.240 9.349
5 HB2 GLU 1 1HB GLU 1 -3.587 -11.650 7.490
6 HB3 GLU 1 2HB GLU 1 -2.036 -12.187 8.133
7 HG2 GLU 1 1HG GLU 1 -4.628 -12.011 9.687
8 HG3 GLU 1 2HG GLU 1 -3.898 -13.487 9.068
9 H LEU 2 H LEU 2 -4.705 -9.211 7.871
10 HA LEU 2 HA LEU 2 -3.527 -8.299 5.445
11 HB2 LEU 2 1HB LEU 2 -6.190 -7.638 6.717
12 HB3 LEU 2 2HB LEU 2 -5.736 -7.255 5.059
13 HG LEU 2 HG LEU 2 -5.723 -10.068 6.191
14 HD11 LEU 2 1HD1 LEU 2 -8.005 -9.125 6.223
15 HD12 LEU 2 2HD1 LEU 2 -7.859 -10.373 4.986
16 HD13 LEU 2 3HD1 LEU 2 -7.845 -8.670 4.528
17 HD21 LEU 2 3HD2 LEU 2 -4.368 -10.105 4.270
18 HD22 LEU 2 1HD2 LEU 2 -5.305 -8.855 3.455
19 HD23 LEU 2 2HD2 LEU 2 -5.947 -10.489 3.596
20 H TYR 3 H TYR 3 -3.195 -6.136 4.766
21 HA TYR 3 HA TYR 3 -2.187 -4.393 6.822
22 HB2 TYR 3 1HB TYR 3 -2.547 -4.021 3.839
23 HB3 TYR 3 2HB TYR 3 -1.763 -2.846 4.896
24 HD1 TYR 3 HD1 TYR 3 -1.569 -6.328 3.599
25 HD2 TYR 3 HD2 TYR 3 0.474 -3.167 5.667
26 HE1 TYR 3 HE1 TYR 3 0.562 -7.582 3.410
27 HE2 TYR 3 HE2 TYR 3 2.604 -4.420 5.479
28 HH TYR 3 HH TYR 3 3.471 -6.308 3.707
29 H GLU 4 H GLU 4 -3.132 -2.629 7.713
30 HA GLU 4 HA GLU 4 -5.969 -2.245 7.314
31 HB2 GLU 4 1HB GLU 4 -3.964 -0.762 9.036
32 HB3 GLU 4 2HB GLU 4 -5.708 -0.497 9.063
33 HG2 GLU 4 1HG GLU 4 -4.388 -3.174 9.594
34 HG3 GLU 4 2HG GLU 4 -4.910 -2.062 10.858
35 H ASN 5 H ASN 5 -3.074 -0.916 6.049
36 HA ASN 5 HA ASN 5 -4.588 0.936 4.389
37 HB2 ASN 5 1HB ASN 5 -3.994 2.182 6.520
38 HB3 ASN 5 2HB ASN 5 -2.304 2.000 6.054
39 HD21 ASN 5 2HD2 ASN 5 -1.877 4.216 5.539
40 HD22 ASN 5 1HD2 ASN 5 -2.661 5.031 4.275
41 H LYS 6 H LYS 6 -3.081 2.038 2.798
42 HA LYS 6 HA LYS 6 -1.701 0.225 1.270
43 HB2 LYS 6 1HB LYS 6 -1.333 3.201 1.565
44 HB3 LYS 6 2HB LYS 6 -0.456 2.270 0.355
45 HG2 LYS 6 1HG LYS 6 -2.530 1.524 -0.660
46 HG3 LYS 6 2HG LYS 6 -3.479 2.266 0.624
47 HD2 LYS 6 1HD LYS 6 -1.605 3.928 -1.070
48 HD3 LYS 6 2HD LYS 6 -3.223 3.542 -1.644
49 HE2 LYS 6 1HE LYS 6 -3.522 5.611 -0.572
50 HE3 LYS 6 2HE LYS 6 -4.022 4.467 0.667
51 HZ1 LYS 6 3HZ LYS 6 -2.284 4.986 1.953
52 HZ2 LYS 6 1HZ LYS 6 -2.184 6.393 1.013
53 HZ3 LYS 6 2HZ LYS 6 -1.197 5.059 0.648
54 HA PRO 7 HA PRO 7 2.169 -0.188 3.481
55 HB2 PRO 7 1HB PRO 7 3.713 -1.384 1.665
56 HB3 PRO 7 2HB PRO 7 2.220 -2.186 2.201
57 HG2 PRO 7 1HG PRO 7 2.690 -0.561 -0.273
58 HG3 PRO 7 2HG PRO 7 1.904 -2.146 -0.110
59 HD2 PRO 7 1HD PRO 7 0.502 0.238 -0.232
60 HD3 PRO 7 2HD PRO 7 -0.104 -1.224 0.586
61 H ARG 8 H ARG 8 4.062 0.037 0.678
62 HA ARG 8 HA ARG 8 5.016 2.684 1.416
63 HB2 ARG 8 1HB ARG 8 6.627 0.849 0.878
64 HB3 ARG 8 2HB ARG 8 5.963 0.782 -0.751
65 HG2 ARG 8 1HG ARG 8 6.736 3.005 -1.243
66 HG3 ARG 8 2HG ARG 8 7.155 3.298 0.445
67 HD2 ARG 8 1HD ARG 8 8.422 1.152 -1.277
68 HD3 ARG 8 2HD ARG 8 9.127 2.745 -1.011
69 HE ARG 8 HE ARG 8 8.632 1.739 1.513
70 HH11 ARG 8 1HH2 ARG 8 10.410 0.781 -1.301
71 HH12 ARG 8 2HH2 ARG 8 11.616 -0.086 -0.408
72 HH21 ARG 8 1HH1 ARG 8 10.207 0.613 2.682
73 HH22 ARG 8 2HH1 ARG 8 11.500 -0.182 1.847
74 H ARG 9 H ARG 9 5.416 4.179 -0.633
75 HA ARG 9 HA ARG 9 2.869 4.753 -1.687
76 HB2 ARG 9 1HB ARG 9 5.595 5.517 -2.775
77 HB3 ARG 9 2HB ARG 9 4.070 6.256 -3.258
78 HG2 ARG 9 1HG ARG 9 5.019 6.189 -0.381
79 HG3 ARG 9 2HG ARG 9 5.408 7.514 -1.473
80 HD2 ARG 9 1HD ARG 9 2.837 7.628 -1.892
81 HD3 ARG 9 2HD ARG 9 2.712 6.680 -0.413
82 HE ARG 9 HE ARG 9 3.403 9.466 -0.607
83 HH11 ARG 9 1HH2 ARG 9 3.816 6.528 1.172
84 HH12 ARG 9 2HH2 ARG 9 4.140 7.318 2.678
85 HH21 ARG 9 1HH1 ARG 9 3.833 10.514 1.369
86 HH22 ARG 9 2HH1 ARG 9 4.154 9.575 2.789
87 HA PRO 10 HA PRO 10 3.152 1.255 -4.498
88 HB2 PRO 10 1HB PRO 10 0.667 1.384 -5.633
89 HB3 PRO 10 2HB PRO 10 0.946 0.779 -3.988
90 HG2 PRO 10 1HG PRO 10 -0.004 3.468 -4.873
91 HG3 PRO 10 2HG PRO 10 -0.568 2.461 -3.526
92 HD2 PRO 10 1HD PRO 10 1.155 4.573 -3.196
93 HD3 PRO 10 2HD PRO 10 1.138 3.163 -2.112
94 H TYR 11 H TYR 11 3.201 0.869 -6.830
95 HA TYR 11 HA TYR 11 4.405 2.941 -8.298
96 HB2 TYR 11 1HB TYR 11 4.621 0.453 -8.702
97 HB3 TYR 11 2HB TYR 11 3.029 0.513 -9.460
98 HD1 TYR 11 HD1 TYR 11 6.465 1.965 -9.623
99 HD2 TYR 11 HD2 TYR 11 2.778 1.237 -11.702
100 HE1 TYR 11 HE1 TYR 11 7.507 2.725 -11.742
101 HE2 TYR 11 HE2 TYR 11 3.818 2.001 -13.818
102 HH TYR 11 HH TYR 11 7.163 2.406 -14.175
103 H ILE 12 H ILE 12 3.594 4.591 -9.401
104 HA ILE 12 HA ILE 12 0.851 4.462 -10.478
105 HB ILE 12 HB ILE 12 0.725 5.579 -8.261
106 HG12 ILE 12 1HG1 ILE 12 0.405 7.578 -10.515
107 HG13 ILE 12 2HG1 ILE 12 -0.699 6.223 -10.278
108 HG21 ILE 12 1HG2 ILE 12 3.112 6.482 -8.456
109 HG22 ILE 12 2HG2 ILE 12 1.910 7.610 -7.825
110 HG23 ILE 12 3HG2 ILE 12 2.446 7.736 -9.500
111 HD11 ILE 12 3HD1 ILE 12 -0.069 8.282 -8.147
112 HD12 ILE 12 1HD1 ILE 12 -1.298 7.019 -8.068
113 HD13 ILE 12 2HD1 ILE 12 -1.479 8.357 -9.202
114 H LEU 13 H LEU 13 0.632 5.426 -12.422
115 HA LEU 13 HA LEU 13 2.476 7.454 -13.333
116 HB2 LEU 13 1HB LEU 13 3.452 6.262 -15.158
117 HB3 LEU 13 2HB LEU 13 3.710 5.299 -13.715
118 HG LEU 13 HG LEU 13 3.042 3.742 -15.362
119 HD11 LEU 13 1HD1 LEU 13 0.444 4.363 -13.951
120 HD12 LEU 13 2HD1 LEU 13 1.827 3.619 -13.145
121 HD13 LEU 13 3HD1 LEU 13 1.038 2.794 -14.488
122 HD21 LEU 13 3HD2 LEU 13 1.621 4.104 -17.107
123 HD22 LEU 13 1HD2 LEU 13 1.878 5.804 -16.736
124 HD23 LEU 13 2HD2 LEU 13 0.444 4.975 -16.135