Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
551830 | 2lng RC | 18164 | 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 -1.462 -7.317 8.369
2 H2 GLU 1 2H GLU 1 -0.485 -8.246 9.403
3 H3 GLU 1 3H GLU 1 -0.453 -6.550 9.497
4 HA GLU 1 HA GLU 1 -2.559 -8.415 10.382
5 HB2 GLU 1 1HB GLU 1 -0.773 -7.684 11.955
6 HB3 GLU 1 2HB GLU 1 -1.238 -6.007 11.670
7 HG2 GLU 1 1HG GLU 1 -3.507 -6.489 12.511
8 HG3 GLU 1 2HG GLU 1 -3.048 -8.167 12.791
9 H LEU 2 H LEU 2 -1.934 -4.933 9.855
10 HA LEU 2 HA LEU 2 -4.842 -4.486 9.518
11 HB2 LEU 2 1HB LEU 2 -2.614 -2.463 9.870
12 HB3 LEU 2 2HB LEU 2 -4.346 -2.138 9.892
13 HG LEU 2 HG LEU 2 -2.876 -3.911 11.867
14 HD11 LEU 2 1HD1 LEU 2 -4.142 -1.190 12.294
15 HD12 LEU 2 2HD1 LEU 2 -2.415 -1.437 12.031
16 HD13 LEU 2 3HD1 LEU 2 -3.196 -2.119 13.457
17 HD21 LEU 2 3HD2 LEU 2 -5.170 -3.548 13.087
18 HD22 LEU 2 1HD2 LEU 2 -5.078 -4.747 11.800
19 HD23 LEU 2 2HD2 LEU 2 -5.776 -3.159 11.478
20 H TYR 3 H TYR 3 -4.310 -1.967 8.103
21 HA TYR 3 HA TYR 3 -4.137 -3.078 5.414
22 HB2 TYR 3 1HB TYR 3 -5.877 -1.429 5.881
23 HB3 TYR 3 2HB TYR 3 -4.663 -0.261 6.402
24 HD1 TYR 3 HD1 TYR 3 -5.596 -2.403 3.471
25 HD2 TYR 3 HD2 TYR 3 -3.723 1.218 4.830
26 HE1 TYR 3 HE1 TYR 3 -5.298 -1.674 1.120
27 HE2 TYR 3 HE2 TYR 3 -3.426 1.946 2.479
28 HH TYR 3 HH TYR 3 -4.988 0.399 -0.136
29 H GLU 4 H GLU 4 -1.808 -3.632 6.182
30 HA GLU 4 HA GLU 4 0.099 -1.448 5.963
31 HB2 GLU 4 1HB GLU 4 1.769 -3.154 6.423
32 HB3 GLU 4 2HB GLU 4 0.426 -3.336 7.554
33 HG2 GLU 4 1HG GLU 4 -0.538 -5.090 6.052
34 HG3 GLU 4 2HG GLU 4 0.905 -4.975 5.045
35 H ASN 5 H ASN 5 -1.713 -2.841 3.730
36 HA ASN 5 HA ASN 5 0.374 -3.418 1.747
37 HB2 ASN 5 1HB ASN 5 -2.646 -3.569 1.574
38 HB3 ASN 5 2HB ASN 5 -1.525 -4.073 0.310
39 HD21 ASN 5 2HD2 ASN 5 -3.420 -5.407 2.611
40 HD22 ASN 5 1HD2 ASN 5 -2.477 -6.751 3.043
41 H LYS 6 H LYS 6 0.098 -0.713 2.766
42 HA LYS 6 HA LYS 6 -1.218 0.818 0.679
43 HB2 LYS 6 1HB LYS 6 -1.151 1.504 3.113
44 HB3 LYS 6 2HB LYS 6 0.555 1.880 2.878
45 HG2 LYS 6 1HG LYS 6 -0.033 3.434 1.056
46 HG3 LYS 6 2HG LYS 6 -1.741 3.068 1.295
47 HD2 LYS 6 1HD LYS 6 -1.754 4.054 3.465
48 HD3 LYS 6 2HD LYS 6 0.008 4.111 3.528
49 HE2 LYS 6 1HE LYS 6 -1.729 5.685 1.603
50 HE3 LYS 6 2HE LYS 6 -0.941 6.342 3.038
51 HZ1 LYS 6 3HZ LYS 6 1.154 5.281 1.915
52 HZ2 LYS 6 1HZ LYS 6 0.609 6.822 1.462
53 HZ3 LYS 6 2HZ LYS 6 0.234 5.472 0.500
54 HA PRO 7 HA PRO 7 3.257 1.741 -0.497
55 HB2 PRO 7 1HB PRO 7 5.309 0.257 0.437
56 HB3 PRO 7 2HB PRO 7 4.570 1.538 1.422
57 HG2 PRO 7 1HG PRO 7 4.248 -1.415 1.612
58 HG3 PRO 7 2HG PRO 7 4.242 -0.195 2.896
59 HD2 PRO 7 1HD PRO 7 1.952 -1.372 1.689
60 HD3 PRO 7 2HD PRO 7 1.956 0.043 2.764
61 H ARG 8 H ARG 8 1.562 -0.899 -0.900
62 HA ARG 8 HA ARG 8 3.313 -2.165 -2.937
63 HB2 ARG 8 1HB ARG 8 0.758 -3.123 -1.613
64 HB3 ARG 8 2HB ARG 8 1.599 -3.977 -2.906
65 HG2 ARG 8 1HG ARG 8 3.588 -4.220 -1.512
66 HG3 ARG 8 2HG ARG 8 2.841 -3.263 -0.232
67 HD2 ARG 8 1HD ARG 8 2.619 -5.633 0.302
68 HD3 ARG 8 2HD ARG 8 1.030 -4.964 -0.062
69 HE ARG 8 HE ARG 8 2.226 -6.052 -2.411
70 HH11 ARG 8 1HH2 ARG 8 0.703 -6.881 0.583
71 HH12 ARG 8 2HH2 ARG 8 0.074 -8.388 0.006
72 HH21 ARG 8 1HH1 ARG 8 1.405 -8.028 -3.176
73 HH22 ARG 8 2HH1 ARG 8 0.473 -9.038 -2.122
74 H ARG 9 H ARG 9 0.506 -0.359 -2.227
75 HA ARG 9 HA ARG 9 -0.173 -0.141 -5.103
76 HB2 ARG 9 1HB ARG 9 -1.828 -1.334 -3.393
77 HB3 ARG 9 2HB ARG 9 -2.257 0.322 -2.983
78 HG2 ARG 9 1HG ARG 9 -2.311 -0.878 -5.773
79 HG3 ARG 9 2HG ARG 9 -3.723 -0.575 -4.763
80 HD2 ARG 9 1HD ARG 9 -3.036 1.863 -4.707
81 HD3 ARG 9 2HD ARG 9 -1.824 1.475 -5.926
82 HE ARG 9 HE ARG 9 -4.681 1.681 -6.343
83 HH11 ARG 9 1HH2 ARG 9 -1.667 0.362 -7.412
84 HH12 ARG 9 2HH2 ARG 9 -2.185 0.141 -9.051
85 HH21 ARG 9 1HH1 ARG 9 -5.370 1.392 -8.491
86 HH22 ARG 9 2HH1 ARG 9 -4.281 0.725 -9.661
87 HA PRO 10 HA PRO 10 0.932 3.912 -3.086
88 HB2 PRO 10 1HB PRO 10 2.917 4.710 -4.754
89 HB3 PRO 10 2HB PRO 10 3.212 3.562 -3.430
90 HG2 PRO 10 1HG PRO 10 2.758 3.008 -6.336
91 HG3 PRO 10 2HG PRO 10 3.987 2.336 -5.246
92 HD2 PRO 10 1HD PRO 10 1.683 0.996 -5.865
93 HD3 PRO 10 2HD PRO 10 2.507 0.814 -4.297
94 H TYR 11 H TYR 11 0.303 6.034 -3.847
95 HA TYR 11 HA TYR 11 -1.740 6.177 -5.708
96 HB2 TYR 11 1HB TYR 11 0.208 8.293 -4.776
97 HB3 TYR 11 2HB TYR 11 -1.157 8.654 -5.834
98 HD1 TYR 11 HD2 TYR 11 -0.156 7.534 -2.460
99 HD2 TYR 11 HD1 TYR 11 -3.447 8.536 -5.032
100 HE1 TYR 11 HE2 TYR 11 -1.669 7.603 -0.497
101 HE2 TYR 11 HE1 TYR 11 -4.961 8.603 -3.069
102 HH TYR 11 HH TYR 11 -5.154 8.017 -0.879
103 H ILE 12 H ILE 12 1.732 6.687 -6.168
104 HA ILE 12 HA ILE 12 1.336 6.805 -9.098
105 HB ILE 12 HB ILE 12 2.656 8.635 -8.058
106 HG12 ILE 12 1HG1 ILE 12 4.665 8.393 -9.535
107 HG13 ILE 12 2HG1 ILE 12 4.220 6.712 -9.815
108 HG21 ILE 12 1HG2 ILE 12 3.598 6.925 -6.270
109 HG22 ILE 12 2HG2 ILE 12 4.580 8.290 -6.794
110 HG23 ILE 12 3HG2 ILE 12 4.875 6.690 -7.466
111 HD11 ILE 12 3HD1 ILE 12 2.143 8.819 -10.322
112 HD12 ILE 12 1HD1 ILE 12 2.395 7.270 -11.129
113 HD13 ILE 12 2HD1 ILE 12 3.451 8.634 -11.488
114 H LEU 13 H LEU 13 1.269 4.782 -9.868
115 HA LEU 13 HA LEU 13 2.372 2.531 -8.653
116 HB2 LEU 13 1HB LEU 13 2.192 1.502 -11.024
117 HB3 LEU 13 2HB LEU 13 0.723 2.010 -10.208
118 HG LEU 13 HG LEU 13 0.955 2.675 -12.664
119 HD11 LEU 13 1HD1 LEU 13 -0.242 4.062 -10.531
120 HD12 LEU 13 2HD1 LEU 13 -0.570 4.271 -12.245
121 HD13 LEU 13 3HD1 LEU 13 0.604 5.309 -11.446
122 HD21 LEU 13 3HD2 LEU 13 2.875 4.749 -11.567
123 HD22 LEU 13 1HD2 LEU 13 2.380 4.531 -13.243
124 HD23 LEU 13 2HD2 LEU 13 3.379 3.312 -12.458
Start of MODEL 2
1 H1 GLU 1 1H GLU 1 -0.703 -9.124 11.263
2 H2 GLU 1 2H GLU 1 -2.143 -9.585 10.489
3 H3 GLU 1 3H GLU 1 -2.145 -8.295 11.595
4 HA GLU 1 HA GLU 1 -0.401 -7.283 9.972
5 HB2 GLU 1 1HB GLU 1 -1.994 -9.222 8.265
6 HB3 GLU 1 2HB GLU 1 -0.991 -7.919 7.625
7 HG2 GLU 1 1HG GLU 1 0.024 -10.144 9.417
8 HG3 GLU 1 2HG GLU 1 0.186 -10.124 7.663
9 H LEU 2 H LEU 2 -1.187 -5.316 9.421
10 HA LEU 2 HA LEU 2 -4.105 -4.891 9.646
11 HB2 LEU 2 1HB LEU 2 -1.824 -2.897 9.730
12 HB3 LEU 2 2HB LEU 2 -3.524 -2.543 10.031
13 HG LEU 2 HG LEU 2 -1.847 -4.476 11.661
14 HD11 LEU 2 1HD1 LEU 2 -1.083 -2.192 12.013
15 HD12 LEU 2 2HD1 LEU 2 -2.023 -2.700 13.418
16 HD13 LEU 2 3HD1 LEU 2 -2.743 -1.631 12.214
17 HD21 LEU 2 3HD2 LEU 2 -3.899 -4.034 13.255
18 HD22 LEU 2 1HD2 LEU 2 -4.071 -5.190 11.937
19 HD23 LEU 2 2HD2 LEU 2 -4.721 -3.558 11.769
20 H TYR 3 H TYR 3 -4.042 -2.351 8.318
21 HA TYR 3 HA TYR 3 -4.205 -3.288 5.562
22 HB2 TYR 3 1HB TYR 3 -5.938 -1.789 6.634
23 HB3 TYR 3 2HB TYR 3 -4.731 -0.504 6.626
24 HD1 TYR 3 HD2 TYR 3 -6.480 -2.943 4.402
25 HD2 TYR 3 HD1 TYR 3 -4.357 0.780 4.673
26 HE1 TYR 3 HE2 TYR 3 -7.018 -2.465 2.030
27 HE2 TYR 3 HE1 TYR 3 -4.895 1.258 2.299
28 HH TYR 3 HH TYR 3 -6.807 -1.042 0.350
29 H GLU 4 H GLU 4 -1.680 -3.546 6.182
30 HA GLU 4 HA GLU 4 -0.132 -1.148 5.638
31 HB2 GLU 4 1HB GLU 4 1.791 -2.547 6.027
32 HB3 GLU 4 2HB GLU 4 0.587 -2.938 7.257
33 HG2 GLU 4 1HG GLU 4 -0.171 -4.850 5.810
34 HG3 GLU 4 2HG GLU 4 1.183 -4.515 4.734
35 H ASN 5 H ASN 5 -2.020 -2.419 3.623
36 HA ASN 5 HA ASN 5 -0.156 -3.148 1.463
37 HB2 ASN 5 1HB ASN 5 -3.161 -3.300 1.735
38 HB3 ASN 5 2HB ASN 5 -2.310 -3.639 0.229
39 HD21 ASN 5 2HD2 ASN 5 -3.816 -5.667 1.616
40 HD22 ASN 5 1HD2 ASN 5 -2.722 -6.835 2.179
41 H LYS 6 H LYS 6 -0.694 -0.349 2.623
42 HA LYS 6 HA LYS 6 -1.893 1.055 0.381
43 HB2 LYS 6 1HB LYS 6 -2.132 1.749 2.824
44 HB3 LYS 6 2HB LYS 6 -0.462 2.296 2.731
45 HG2 LYS 6 1HG LYS 6 -1.551 4.262 2.148
46 HG3 LYS 6 2HG LYS 6 -1.325 3.557 0.550
47 HD2 LYS 6 1HD LYS 6 -3.612 2.590 0.672
48 HD3 LYS 6 2HD LYS 6 -3.832 3.347 2.251
49 HE2 LYS 6 1HE LYS 6 -3.365 4.757 -0.391
50 HE3 LYS 6 2HE LYS 6 -4.838 4.787 0.580
51 HZ1 LYS 6 3HZ LYS 6 -3.222 5.659 2.400
52 HZ2 LYS 6 1HZ LYS 6 -3.828 6.721 1.225
53 HZ3 LYS 6 2HZ LYS 6 -2.255 6.096 1.074
54 HA PRO 7 HA PRO 7 2.593 2.296 -0.351
55 HB2 PRO 7 1HB PRO 7 4.637 1.055 0.898
56 HB3 PRO 7 2HB PRO 7 3.681 2.306 1.718
57 HG2 PRO 7 1HG PRO 7 3.612 -0.646 2.058
58 HG3 PRO 7 2HG PRO 7 3.308 0.634 3.245
59 HD2 PRO 7 1HD PRO 7 1.337 -0.845 1.793
60 HD3 PRO 7 2HD PRO 7 1.049 0.572 2.821
61 H ARG 8 H ARG 8 1.219 -0.572 -0.643
62 HA ARG 8 HA ARG 8 3.248 -1.917 -2.289
63 HB2 ARG 8 1HB ARG 8 1.509 -3.058 -0.655
64 HB3 ARG 8 2HB ARG 8 0.385 -2.823 -1.993
65 HG2 ARG 8 1HG ARG 8 1.206 -4.905 -2.590
66 HG3 ARG 8 2HG ARG 8 2.410 -3.905 -3.399
67 HD2 ARG 8 1HD ARG 8 3.554 -5.636 -2.136
68 HD3 ARG 8 2HD ARG 8 3.853 -4.082 -1.362
69 HE ARG 8 HE ARG 8 2.609 -4.806 0.475
70 HH11 ARG 8 1HH2 ARG 8 2.211 -6.906 -2.245
71 HH12 ARG 8 2HH2 ARG 8 1.362 -8.126 -1.354
72 HH21 ARG 8 1HH1 ARG 8 1.500 -6.402 1.651
73 HH22 ARG 8 2HH1 ARG 8 0.961 -7.840 0.852
74 H ARG 9 H ARG 9 0.350 -0.082 -2.331
75 HA ARG 9 HA ARG 9 0.366 0.057 -5.292
76 HB2 ARG 9 1HB ARG 9 -2.015 0.377 -3.450
77 HB3 ARG 9 2HB ARG 9 -2.033 0.389 -5.215
78 HG2 ARG 9 1HG ARG 9 -1.008 -1.962 -5.084
79 HG3 ARG 9 2HG ARG 9 -1.444 -1.935 -3.374
80 HD2 ARG 9 1HD ARG 9 -3.265 -2.985 -4.533
81 HD3 ARG 9 2HD ARG 9 -3.807 -1.368 -4.088
82 HE ARG 9 HE ARG 9 -2.711 -1.168 -6.644
83 HH11 ARG 9 1HH2 ARG 9 -5.282 -2.826 -5.025
84 HH12 ARG 9 2HH2 ARG 9 -6.308 -2.883 -6.418
85 HH21 ARG 9 1HH1 ARG 9 -4.051 -1.241 -8.476
86 HH22 ARG 9 2HH1 ARG 9 -5.611 -1.986 -8.373
87 HA PRO 10 HA PRO 10 1.097 4.155 -3.165
88 HB2 PRO 10 1HB PRO 10 3.331 4.926 -4.547
89 HB3 PRO 10 2HB PRO 10 3.403 3.882 -3.109
90 HG2 PRO 10 1HG PRO 10 3.488 3.121 -6.001
91 HG3 PRO 10 2HG PRO 10 4.487 2.534 -4.655
92 HD2 PRO 10 1HD PRO 10 2.360 1.122 -5.607
93 HD3 PRO 10 2HD PRO 10 2.842 1.073 -3.894
94 H TYR 11 H TYR 11 0.703 6.283 -4.061
95 HA TYR 11 HA TYR 11 -1.118 6.549 -6.062
96 HB2 TYR 11 1HB TYR 11 -0.460 8.414 -4.611
97 HB3 TYR 11 2HB TYR 11 1.094 8.524 -5.438
98 HD1 TYR 11 HD2 TYR 11 -2.587 8.784 -5.939
99 HD2 TYR 11 HD1 TYR 11 1.309 9.691 -7.504
100 HE1 TYR 11 HE2 TYR 11 -3.618 10.225 -7.674
101 HE2 TYR 11 HE1 TYR 11 0.278 11.131 -9.239
102 HH TYR 11 HH TYR 11 -1.696 12.281 -9.735
103 H ILE 12 H ILE 12 2.401 6.468 -6.440
104 HA ILE 12 HA ILE 12 2.471 6.993 -9.227
105 HB ILE 12 HB ILE 12 4.397 5.510 -7.415
106 HG12 ILE 12 1HG1 ILE 12 5.746 7.643 -7.881
107 HG13 ILE 12 2HG1 ILE 12 4.267 8.320 -8.555
108 HG21 ILE 12 1HG2 ILE 12 4.834 4.666 -9.596
109 HG22 ILE 12 2HG2 ILE 12 6.007 5.963 -9.363
110 HG23 ILE 12 3HG2 ILE 12 4.568 6.240 -10.342
111 HD11 ILE 12 3HD1 ILE 12 4.262 7.116 -5.787
112 HD12 ILE 12 1HD1 ILE 12 3.171 8.317 -6.478
113 HD13 ILE 12 2HD1 ILE 12 4.818 8.767 -6.046
114 H LEU 13 H LEU 13 2.292 4.033 -7.313
115 HA LEU 13 HA LEU 13 1.684 1.900 -7.806
116 HB2 LEU 13 1HB LEU 13 -0.382 2.889 -8.601
117 HB3 LEU 13 2HB LEU 13 0.343 3.239 -10.166
118 HG LEU 13 HG LEU 13 0.613 0.844 -10.613
119 HD11 LEU 13 1HD1 LEU 13 -0.642 -0.704 -8.906
120 HD12 LEU 13 2HD1 LEU 13 -0.357 0.610 -7.766
121 HD13 LEU 13 3HD1 LEU 13 1.007 -0.196 -8.542
122 HD21 LEU 13 3HD2 LEU 13 -1.717 0.298 -10.902
123 HD22 LEU 13 1HD2 LEU 13 -1.565 2.046 -11.085
124 HD23 LEU 13 2HD2 LEU 13 -2.187 1.367 -9.581
Start of MODEL 3
1 H1 GLU 1 1H GLU 1 1.493 -5.851 8.029
2 H2 GLU 1 2H GLU 1 0.009 -5.029 7.911
3 H3 GLU 1 3H GLU 1 0.688 -5.765 6.537
4 HA GLU 1 HA GLU 1 -0.007 -7.814 7.084
5 HB2 GLU 1 1HB GLU 1 0.367 -6.933 9.959
6 HB3 GLU 1 2HB GLU 1 -0.238 -8.523 9.493
7 HG2 GLU 1 1HG GLU 1 1.814 -8.975 8.245
8 HG3 GLU 1 2HG GLU 1 2.420 -7.361 8.612
9 H LEU 2 H LEU 2 -1.298 -5.162 9.085
10 HA LEU 2 HA LEU 2 -4.009 -6.264 8.873
11 HB2 LEU 2 1HB LEU 2 -2.961 -3.812 10.305
12 HB3 LEU 2 2HB LEU 2 -4.619 -4.400 10.375
13 HG LEU 2 HG LEU 2 -2.183 -5.991 11.238
14 HD11 LEU 2 1HD1 LEU 2 -2.602 -4.072 12.715
15 HD12 LEU 2 2HD1 LEU 2 -3.027 -5.576 13.532
16 HD13 LEU 2 3HD1 LEU 2 -4.293 -4.543 12.867
17 HD21 LEU 2 3HD2 LEU 2 -4.208 -7.275 12.407
18 HD22 LEU 2 1HD2 LEU 2 -3.779 -7.624 10.735
19 HD23 LEU 2 2HD2 LEU 2 -5.140 -6.561 11.093
20 H TYR 3 H TYR 3 -3.210 -2.839 8.807
21 HA TYR 3 HA TYR 3 -4.781 -2.558 6.312
22 HB2 TYR 3 1HB TYR 3 -5.519 -1.276 8.357
23 HB3 TYR 3 2HB TYR 3 -3.991 -0.398 8.283
24 HD1 TYR 3 HD1 TYR 3 -7.015 -1.259 6.259
25 HD2 TYR 3 HD2 TYR 3 -3.738 1.460 6.835
26 HE1 TYR 3 HE1 TYR 3 -7.964 0.253 4.537
27 HE2 TYR 3 HE2 TYR 3 -4.690 2.969 5.112
28 HH TYR 3 HH TYR 3 -6.228 2.741 3.119
29 H GLU 4 H GLU 4 -1.897 -3.354 6.590
30 HA GLU 4 HA GLU 4 -0.422 -1.072 5.554
31 HB2 GLU 4 1HB GLU 4 0.323 -3.944 6.127
32 HB3 GLU 4 2HB GLU 4 1.440 -2.800 5.392
33 HG2 GLU 4 1HG GLU 4 1.943 -2.623 7.683
34 HG3 GLU 4 2HG GLU 4 0.859 -1.265 7.419
35 H ASN 5 H ASN 5 -2.548 -1.635 3.905
36 HA ASN 5 HA ASN 5 -1.409 -3.039 1.564
37 HB2 ASN 5 1HB ASN 5 -4.213 -2.116 2.225
38 HB3 ASN 5 2HB ASN 5 -3.741 -2.754 0.652
39 HD21 ASN 5 2HD2 ASN 5 -5.674 -4.084 2.327
40 HD22 ASN 5 1HD2 ASN 5 -5.003 -5.561 2.827
41 H LYS 6 H LYS 6 -1.220 -0.085 2.828
42 HA LYS 6 HA LYS 6 -1.868 1.489 0.465
43 HB2 LYS 6 1HB LYS 6 -1.232 2.027 3.299
44 HB3 LYS 6 2HB LYS 6 -0.498 3.185 2.197
45 HG2 LYS 6 1HG LYS 6 -3.418 2.454 1.927
46 HG3 LYS 6 2HG LYS 6 -2.895 3.669 3.092
47 HD2 LYS 6 1HD LYS 6 -1.860 4.990 1.323
48 HD3 LYS 6 2HD LYS 6 -2.240 3.750 0.129
49 HE2 LYS 6 1HE LYS 6 -3.916 5.482 -0.050
50 HE3 LYS 6 2HE LYS 6 -4.677 4.069 0.680
51 HZ1 LYS 6 3HZ LYS 6 -3.520 6.280 2.279
52 HZ2 LYS 6 1HZ LYS 6 -4.537 5.031 2.811
53 HZ3 LYS 6 2HZ LYS 6 -5.148 6.245 1.793
54 HA PRO 7 HA PRO 7 2.835 1.751 0.216
55 HB2 PRO 7 1HB PRO 7 4.437 0.187 1.728
56 HB3 PRO 7 2HB PRO 7 3.714 1.676 2.372
57 HG2 PRO 7 1HG PRO 7 2.925 -1.157 2.833
58 HG3 PRO 7 2HG PRO 7 2.874 0.224 3.943
59 HD2 PRO 7 1HD PRO 7 0.679 -0.799 2.492
60 HD3 PRO 7 2HD PRO 7 0.731 0.781 3.303
61 H ARG 8 H ARG 8 0.876 -0.516 -0.432
62 HA ARG 8 HA ARG 8 2.753 -2.352 -1.828
63 HB2 ARG 8 1HB ARG 8 -0.206 -2.712 -1.264
64 HB3 ARG 8 2HB ARG 8 0.871 -3.893 -1.999
65 HG2 ARG 8 1HG ARG 8 1.296 -2.796 0.792
66 HG3 ARG 8 2HG ARG 8 0.375 -4.261 0.467
67 HD2 ARG 8 1HD ARG 8 2.416 -5.154 -0.748
68 HD3 ARG 8 2HD ARG 8 3.302 -3.765 -0.125
69 HE ARG 8 HE ARG 8 1.987 -5.099 2.006
70 HH11 ARG 8 1HH2 ARG 8 4.607 -5.397 -0.235
71 HH12 ARG 8 2HH2 ARG 8 5.580 -6.367 0.821
72 HH21 ARG 8 1HH1 ARG 8 3.251 -6.372 3.390
73 HH22 ARG 8 2HH1 ARG 8 4.805 -6.933 2.869
74 H ARG 9 H ARG 9 0.305 0.009 -1.974
75 HA ARG 9 HA ARG 9 0.293 -0.046 -4.940
76 HB2 ARG 9 1HB ARG 9 -1.925 -0.636 -3.820
77 HB3 ARG 9 2HB ARG 9 -1.936 1.014 -3.194
78 HG2 ARG 9 1HG ARG 9 -1.824 1.917 -5.461
79 HG3 ARG 9 2HG ARG 9 -1.720 0.288 -6.129
80 HD2 ARG 9 1HD ARG 9 -4.008 0.882 -6.347
81 HD3 ARG 9 2HD ARG 9 -3.947 -0.171 -4.935
82 HE ARG 9 HE ARG 9 -4.595 1.640 -3.638
83 HH11 ARG 9 1HH2 ARG 9 -3.385 2.685 -6.709
84 HH12 ARG 9 2HH2 ARG 9 -3.820 4.344 -6.472
85 HH21 ARG 9 1HH1 ARG 9 -5.151 3.829 -3.316
86 HH22 ARG 9 2HH1 ARG 9 -4.800 4.991 -4.552
87 HA PRO 10 HA PRO 10 2.359 3.747 -3.271
88 HB2 PRO 10 1HB PRO 10 3.415 3.762 -6.074
89 HB3 PRO 10 2HB PRO 10 4.283 3.980 -4.542
90 HG2 PRO 10 1HG PRO 10 4.437 1.704 -5.954
91 HG3 PRO 10 2HG PRO 10 4.483 1.714 -4.181
92 HD2 PRO 10 1HD PRO 10 2.246 0.919 -6.005
93 HD3 PRO 10 2HD PRO 10 2.668 0.292 -4.396
94 H TYR 11 H TYR 11 2.355 6.041 -4.258
95 HA TYR 11 HA TYR 11 -0.203 6.909 -4.797
96 HB2 TYR 11 1HB TYR 11 2.404 8.129 -5.739
97 HB3 TYR 11 2HB TYR 11 0.847 8.957 -5.749
98 HD1 TYR 11 HD1 TYR 11 3.509 7.538 -3.627
99 HD2 TYR 11 HD2 TYR 11 -0.195 9.707 -3.685
100 HE1 TYR 11 HE1 TYR 11 3.846 8.175 -1.252
101 HE2 TYR 11 HE2 TYR 11 0.137 10.343 -1.312
102 HH TYR 11 HH TYR 11 2.766 8.995 0.601
103 H ILE 12 H ILE 12 2.350 6.118 -7.154
104 HA ILE 12 HA ILE 12 0.389 6.308 -9.350
105 HB ILE 12 HB ILE 12 3.397 5.905 -9.441
106 HG12 ILE 12 1HG1 ILE 12 1.795 8.399 -10.073
107 HG13 ILE 12 2HG1 ILE 12 2.540 8.119 -8.498
108 HG21 ILE 12 1HG2 ILE 12 3.150 6.441 -11.817
109 HG22 ILE 12 2HG2 ILE 12 1.415 6.673 -11.609
110 HG23 ILE 12 3HG2 ILE 12 2.119 5.069 -11.425
111 HD11 ILE 12 3HD1 ILE 12 4.010 9.469 -9.966
112 HD12 ILE 12 1HD1 ILE 12 4.018 8.158 -11.147
113 HD13 ILE 12 2HD1 ILE 12 4.747 7.918 -9.561
114 H LEU 13 H LEU 13 3.106 4.116 -8.586
115 HA LEU 13 HA LEU 13 1.523 1.784 -8.368
116 HB2 LEU 13 1HB LEU 13 2.060 0.655 -10.451
117 HB3 LEU 13 2HB LEU 13 1.152 2.122 -10.768
118 HG LEU 13 HG LEU 13 3.567 3.212 -10.999
119 HD11 LEU 13 1HD1 LEU 13 4.109 0.259 -11.234
120 HD12 LEU 13 2HD1 LEU 13 5.114 1.533 -10.554
121 HD13 LEU 13 3HD1 LEU 13 4.972 1.367 -12.296
122 HD21 LEU 13 3HD2 LEU 13 2.025 3.233 -12.839
123 HD22 LEU 13 1HD2 LEU 13 2.170 1.491 -13.068
124 HD23 LEU 13 2HD2 LEU 13 3.526 2.548 -13.461
Start of MODEL 4
1 H1 GLU 1 1H GLU 1 0.704 -7.877 8.895
2 H2 GLU 1 2H GLU 1 -0.951 -8.239 9.023
3 H3 GLU 1 3H GLU 1 -0.307 -6.894 9.838
4 HA GLU 1 HA GLU 1 0.081 -5.728 7.829
5 HB2 GLU 1 1HB GLU 1 0.826 -7.744 6.556
6 HB3 GLU 1 2HB GLU 1 -0.860 -8.252 6.433
7 HG2 GLU 1 1HG GLU 1 -1.411 -6.164 5.246
8 HG3 GLU 1 2HG GLU 1 0.268 -5.642 5.378
9 H LEU 2 H LEU 2 -1.636 -4.720 9.055
10 HA LEU 2 HA LEU 2 -4.375 -5.563 8.592
11 HB2 LEU 2 1HB LEU 2 -3.775 -4.661 10.773
12 HB3 LEU 2 2HB LEU 2 -3.208 -3.169 10.033
13 HG LEU 2 HG LEU 2 -5.474 -2.642 9.271
14 HD11 LEU 2 1HD1 LEU 2 -7.332 -4.197 10.270
15 HD12 LEU 2 2HD1 LEU 2 -6.052 -5.408 10.325
16 HD13 LEU 2 3HD1 LEU 2 -6.523 -4.687 8.785
17 HD21 LEU 2 3HD2 LEU 2 -4.867 -1.904 11.513
18 HD22 LEU 2 1HD2 LEU 2 -5.323 -3.471 12.184
19 HD23 LEU 2 2HD2 LEU 2 -6.558 -2.406 11.514
20 H TYR 3 H TYR 3 -3.260 -2.223 8.443
21 HA TYR 3 HA TYR 3 -4.654 -1.906 5.851
22 HB2 TYR 3 1HB TYR 3 -5.398 -0.479 7.755
23 HB3 TYR 3 2HB TYR 3 -3.780 0.217 7.825
24 HD1 TYR 3 HD2 TYR 3 -6.677 -0.331 5.534
25 HD2 TYR 3 HD1 TYR 3 -3.168 1.996 6.385
26 HE1 TYR 3 HE2 TYR 3 -7.283 1.245 3.719
27 HE2 TYR 3 HE1 TYR 3 -3.773 3.572 4.568
28 HH TYR 3 HH TYR 3 -6.863 3.422 2.961
29 H GLU 4 H GLU 4 -1.757 -2.793 6.620
30 HA GLU 4 HA GLU 4 -0.142 -0.750 5.329
31 HB2 GLU 4 1HB GLU 4 0.498 -3.490 6.435
32 HB3 GLU 4 2HB GLU 4 1.696 -2.435 5.683
33 HG2 GLU 4 1HG GLU 4 1.238 -0.690 7.335
34 HG3 GLU 4 2HG GLU 4 -0.027 -1.679 8.058
35 H ASN 5 H ASN 5 -2.231 -1.838 3.707
36 HA ASN 5 HA ASN 5 -0.808 -3.522 1.740
37 HB2 ASN 5 1HB ASN 5 -3.726 -2.777 2.050
38 HB3 ASN 5 2HB ASN 5 -3.085 -3.712 0.700
39 HD21 ASN 5 2HD2 ASN 5 -1.072 -4.928 2.787
40 HD22 ASN 5 1HD2 ASN 5 -2.001 -6.129 3.539
41 H LYS 6 H LYS 6 -1.067 -0.347 2.394
42 HA LYS 6 HA LYS 6 -1.659 0.600 -0.301
43 HB2 LYS 6 1HB LYS 6 -2.228 1.749 2.013
44 HB3 LYS 6 2HB LYS 6 -0.598 2.399 1.861
45 HG2 LYS 6 1HG LYS 6 -1.163 3.304 -0.368
46 HG3 LYS 6 2HG LYS 6 -2.798 2.662 -0.211
47 HD2 LYS 6 1HD LYS 6 -3.079 4.035 1.869
48 HD3 LYS 6 2HD LYS 6 -1.502 4.761 1.550
49 HE2 LYS 6 1HE LYS 6 -3.847 4.827 -0.372
50 HE3 LYS 6 2HE LYS 6 -3.381 6.156 0.690
51 HZ1 LYS 6 3HZ LYS 6 -2.426 5.696 -1.821
52 HZ2 LYS 6 1HZ LYS 6 -1.176 5.138 -0.820
53 HZ3 LYS 6 2HZ LYS 6 -1.739 6.734 -0.667
54 HA PRO 7 HA PRO 7 3.077 1.674 0.232
55 HB2 PRO 7 1HB PRO 7 3.957 -0.809 1.637
56 HB3 PRO 7 2HB PRO 7 4.473 0.870 1.900
57 HG2 PRO 7 1HG PRO 7 2.876 -0.370 3.636
58 HG3 PRO 7 2HG PRO 7 2.663 1.351 3.257
59 HD2 PRO 7 1HD PRO 7 1.075 -1.005 2.264
60 HD3 PRO 7 2HD PRO 7 0.508 0.598 2.773
61 H ARG 8 H ARG 8 1.491 -1.242 -0.444
62 HA ARG 8 HA ARG 8 3.513 -2.228 -2.329
63 HB2 ARG 8 1HB ARG 8 0.746 -3.252 -1.629
64 HB3 ARG 8 2HB ARG 8 1.857 -4.032 -2.753
65 HG2 ARG 8 1HG ARG 8 3.521 -4.277 -0.935
66 HG3 ARG 8 2HG ARG 8 2.391 -3.520 0.190
67 HD2 ARG 8 1HD ARG 8 1.778 -6.034 -1.383
68 HD3 ARG 8 2HD ARG 8 2.374 -6.034 0.274
69 HE ARG 8 HE ARG 8 0.099 -4.381 0.157
70 HH11 ARG 8 1HH2 ARG 8 1.041 -7.692 -0.190
71 HH12 ARG 8 2HH2 ARG 8 -0.489 -8.324 0.320
72 HH21 ARG 8 1HH1 ARG 8 -1.910 -5.202 0.823
73 HH22 ARG 8 2HH1 ARG 8 -2.160 -6.914 0.893
74 H ARG 9 H ARG 9 0.710 -0.368 -2.028
75 HA ARG 9 HA ARG 9 0.517 0.029 -4.961
76 HB2 ARG 9 1HB ARG 9 -1.487 -1.126 -3.887
77 HB3 ARG 9 2HB ARG 9 -1.750 0.366 -2.983
78 HG2 ARG 9 1HG ARG 9 -1.933 1.628 -5.082
79 HG3 ARG 9 2HG ARG 9 -1.628 0.158 -6.007
80 HD2 ARG 9 1HD ARG 9 -4.072 0.783 -5.786
81 HD3 ARG 9 2HD ARG 9 -3.671 -0.845 -5.248
82 HE ARG 9 HE ARG 9 -3.611 1.151 -3.145
83 HH11 ARG 9 1HH2 ARG 9 -5.489 -1.124 -4.954
84 HH12 ARG 9 2HH2 ARG 9 -6.684 -1.329 -3.718
85 HH21 ARG 9 1HH1 ARG 9 -5.175 0.889 -1.521
86 HH22 ARG 9 2HH1 ARG 9 -6.508 -0.188 -1.775
87 HA PRO 10 HA PRO 10 1.869 3.783 -2.645
88 HB2 PRO 10 1HB PRO 10 3.229 4.450 -5.214
89 HB3 PRO 10 2HB PRO 10 3.901 4.372 -3.572
90 HG2 PRO 10 1HG PRO 10 4.448 2.506 -5.430
91 HG3 PRO 10 2HG PRO 10 4.314 2.110 -3.705
92 HD2 PRO 10 1HD PRO 10 2.312 1.659 -5.903
93 HD3 PRO 10 2HD PRO 10 2.730 0.620 -4.525
94 H TYR 11 H TYR 11 2.098 6.186 -4.025
95 HA TYR 11 HA TYR 11 -0.580 6.952 -4.431
96 HB2 TYR 11 1HB TYR 11 2.027 8.253 -5.250
97 HB3 TYR 11 2HB TYR 11 0.453 9.018 -5.473
98 HD1 TYR 11 HD1 TYR 11 2.901 7.801 -2.986
99 HD2 TYR 11 HD2 TYR 11 -0.832 9.836 -3.589
100 HE1 TYR 11 HE1 TYR 11 2.934 8.558 -0.626
101 HE2 TYR 11 HE2 TYR 11 -0.802 10.594 -1.227
102 HH TYR 11 HH TYR 11 1.890 9.717 0.946
103 H ILE 12 H ILE 12 2.020 6.163 -6.718
104 HA ILE 12 HA ILE 12 0.138 6.309 -8.972
105 HB ILE 12 HB ILE 12 3.137 5.906 -8.880
106 HG12 ILE 12 1HG1 ILE 12 1.515 8.250 -9.912
107 HG13 ILE 12 2HG1 ILE 12 2.188 8.188 -8.283
108 HG21 ILE 12 1HG2 ILE 12 2.881 6.360 -11.384
109 HG22 ILE 12 2HG2 ILE 12 1.157 6.054 -11.165
110 HG23 ILE 12 3HG2 ILE 12 2.329 4.779 -10.830
111 HD11 ILE 12 3HD1 ILE 12 3.726 9.389 -9.760
112 HD12 ILE 12 1HD1 ILE 12 3.756 8.020 -10.872
113 HD13 ILE 12 2HD1 ILE 12 4.453 7.860 -9.260
114 H LEU 13 H LEU 13 2.834 4.079 -8.343
115 HA LEU 13 HA LEU 13 1.258 1.761 -7.973
116 HB2 LEU 13 1HB LEU 13 1.016 2.516 -10.542
117 HB3 LEU 13 2HB LEU 13 2.526 1.634 -10.681
118 HG LEU 13 HG LEU 13 0.729 0.095 -11.144
119 HD11 LEU 13 1HD1 LEU 13 2.684 -0.566 -9.570
120 HD12 LEU 13 2HD1 LEU 13 1.290 -1.642 -9.665
121 HD13 LEU 13 3HD1 LEU 13 1.467 -0.549 -8.294
122 HD21 LEU 13 3HD2 LEU 13 -1.248 -0.081 -9.965
123 HD22 LEU 13 1HD2 LEU 13 -0.894 1.607 -9.613
124 HD23 LEU 13 2HD2 LEU 13 -0.517 0.360 -8.426
Start of MODEL 5
1 H1 GLU 1 1H GLU 1 -1.462 -4.955 10.809
2 H2 GLU 1 2H GLU 1 0.205 -5.282 10.832
3 H3 GLU 1 3H GLU 1 -0.872 -6.276 11.694
4 HA GLU 1 HA GLU 1 -0.199 -6.278 8.871
5 HB2 GLU 1 1HB GLU 1 0.254 -8.076 10.650
6 HB3 GLU 1 2HB GLU 1 -1.477 -8.401 10.613
7 HG2 GLU 1 1HG GLU 1 -1.337 -8.882 8.189
8 HG3 GLU 1 2HG GLU 1 0.392 -8.551 8.229
9 H LEU 2 H LEU 2 -2.271 -4.450 9.471
10 HA LEU 2 HA LEU 2 -4.759 -5.810 8.631
11 HB2 LEU 2 1HB LEU 2 -4.309 -3.002 9.679
12 HB3 LEU 2 2HB LEU 2 -5.872 -3.722 9.298
13 HG LEU 2 HG LEU 2 -3.928 -4.821 11.349
14 HD11 LEU 2 1HD1 LEU 2 -5.379 -3.851 13.032
15 HD12 LEU 2 2HD1 LEU 2 -6.509 -3.295 11.797
16 HD13 LEU 2 3HD1 LEU 2 -4.905 -2.574 11.913
17 HD21 LEU 2 3HD2 LEU 2 -6.665 -5.630 10.374
18 HD22 LEU 2 1HD2 LEU 2 -6.220 -5.943 12.052
19 HD23 LEU 2 2HD2 LEU 2 -5.271 -6.644 10.744
20 H TYR 3 H TYR 3 -4.063 -2.437 8.054
21 HA TYR 3 HA TYR 3 -4.405 -2.863 5.155
22 HB2 TYR 3 1HB TYR 3 -5.912 -1.273 6.381
23 HB3 TYR 3 2HB TYR 3 -4.496 -0.278 6.725
24 HD1 TYR 3 HD1 TYR 3 -6.367 -1.868 3.900
25 HD2 TYR 3 HD2 TYR 3 -3.753 1.309 5.141
26 HE1 TYR 3 HE1 TYR 3 -6.571 -0.823 1.660
27 HE2 TYR 3 HE2 TYR 3 -3.959 2.354 2.901
28 HH TYR 3 HH TYR 3 -6.325 1.596 0.733
29 H GLU 4 H GLU 4 -1.972 -3.677 5.993
30 HA GLU 4 HA GLU 4 -0.036 -1.523 5.815
31 HB2 GLU 4 1HB GLU 4 1.625 -3.330 6.037
32 HB3 GLU 4 2HB GLU 4 0.391 -3.434 7.295
33 HG2 GLU 4 1HG GLU 4 -0.810 -5.143 5.985
34 HG3 GLU 4 2HG GLU 4 0.414 -5.048 4.723
35 H ASN 5 H ASN 5 -1.902 -2.952 3.559
36 HA ASN 5 HA ASN 5 0.117 -3.436 1.524
37 HB2 ASN 5 1HB ASN 5 -1.797 -3.925 0.070
38 HB3 ASN 5 2HB ASN 5 -1.920 -4.805 1.590
39 HD21 ASN 5 2HD2 ASN 5 -4.325 -4.681 0.581
40 HD22 ASN 5 1HD2 ASN 5 -5.268 -3.404 1.185
41 H LYS 6 H LYS 6 -0.027 -0.755 2.691
42 HA LYS 6 HA LYS 6 -1.207 0.943 0.656
43 HB2 LYS 6 1HB LYS 6 -1.116 1.497 3.130
44 HB3 LYS 6 2HB LYS 6 0.606 1.802 2.907
45 HG2 LYS 6 1HG LYS 6 -0.012 3.407 1.053
46 HG3 LYS 6 2HG LYS 6 -1.697 3.213 1.538
47 HD2 LYS 6 1HD LYS 6 -0.990 3.890 3.879
48 HD3 LYS 6 2HD LYS 6 0.579 4.320 3.198
49 HE2 LYS 6 1HE LYS 6 -0.736 6.333 3.236
50 HE3 LYS 6 2HE LYS 6 -0.646 5.806 1.557
51 HZ1 LYS 6 3HZ LYS 6 -2.922 6.410 2.773
52 HZ2 LYS 6 1HZ LYS 6 -2.862 4.749 3.110
53 HZ3 LYS 6 2HZ LYS 6 -2.818 5.291 1.501
54 HA PRO 7 HA PRO 7 3.338 1.647 -0.425
55 HB2 PRO 7 1HB PRO 7 5.263 -0.062 0.423
56 HB3 PRO 7 2HB PRO 7 4.640 1.236 1.461
57 HG2 PRO 7 1HG PRO 7 4.096 -1.681 1.557
58 HG3 PRO 7 2HG PRO 7 4.126 -0.496 2.872
59 HD2 PRO 7 1HD PRO 7 1.809 -1.499 1.536
60 HD3 PRO 7 2HD PRO 7 1.857 -0.160 2.705
61 H ARG 8 H ARG 8 1.507 -0.934 -0.945
62 HA ARG 8 HA ARG 8 3.176 -2.109 -3.100
63 HB2 ARG 8 1HB ARG 8 0.629 -3.079 -1.772
64 HB3 ARG 8 2HB ARG 8 1.415 -3.881 -3.131
65 HG2 ARG 8 1HG ARG 8 3.469 -4.156 -1.767
66 HG3 ARG 8 2HG ARG 8 2.658 -3.376 -0.410
67 HD2 ARG 8 1HD ARG 8 0.931 -5.157 -0.441
68 HD3 ARG 8 2HD ARG 8 1.800 -5.958 -1.747
69 HE ARG 8 HE ARG 8 2.591 -5.837 1.064
70 HH11 ARG 8 1HH2 ARG 8 3.438 -6.558 -2.220
71 HH12 ARG 8 2HH2 ARG 8 4.768 -7.579 -1.790
72 HH21 ARG 8 1HH1 ARG 8 4.324 -7.170 1.623
73 HH22 ARG 8 2HH1 ARG 8 5.261 -7.942 0.387
74 H ARG 9 H ARG 9 0.509 -0.197 -2.234
75 HA ARG 9 HA ARG 9 -0.308 0.123 -5.066
76 HB2 ARG 9 1HB ARG 9 -2.006 -1.003 -3.517
77 HB3 ARG 9 2HB ARG 9 -2.113 0.546 -2.682
78 HG2 ARG 9 1HG ARG 9 -2.647 1.622 -4.895
79 HG3 ARG 9 2HG ARG 9 -2.725 0.010 -5.602
80 HD2 ARG 9 1HD ARG 9 -4.420 -0.525 -3.727
81 HD3 ARG 9 2HD ARG 9 -4.502 1.217 -3.482
82 HE ARG 9 HE ARG 9 -5.648 1.416 -5.508
83 HH11 ARG 9 1HH2 ARG 9 -4.317 -1.754 -5.098
84 HH12 ARG 9 2HH2 ARG 9 -5.207 -2.446 -6.413
85 HH21 ARG 9 1HH1 ARG 9 -6.811 0.513 -7.238
86 HH22 ARG 9 2HH1 ARG 9 -6.611 -1.164 -7.626
87 HA PRO 10 HA PRO 10 1.209 4.019 -2.820
88 HB2 PRO 10 1HB PRO 10 3.258 4.633 -4.569
89 HB3 PRO 10 2HB PRO 10 3.470 3.623 -3.123
90 HG2 PRO 10 1HG PRO 10 3.042 2.774 -5.962
91 HG3 PRO 10 2HG PRO 10 4.206 2.163 -4.769
92 HD2 PRO 10 1HD PRO 10 1.923 0.822 -5.271
93 HD3 PRO 10 2HD PRO 10 2.587 0.927 -3.620
94 H TYR 11 H TYR 11 0.744 6.172 -3.549
95 HA TYR 11 HA TYR 11 -1.297 6.660 -5.256
96 HB2 TYR 11 1HB TYR 11 1.130 8.439 -4.905
97 HB3 TYR 11 2HB TYR 11 -0.443 8.965 -5.506
98 HD1 TYR 11 HD1 TYR 11 1.443 7.812 -2.563
99 HD2 TYR 11 HD2 TYR 11 -2.381 9.123 -4.022
100 HE1 TYR 11 HE1 TYR 11 0.653 8.107 -0.230
101 HE2 TYR 11 HE2 TYR 11 -3.167 9.421 -1.690
102 HH TYR 11 HH TYR 11 -2.236 9.778 0.530
103 H ILE 12 H ILE 12 2.123 6.464 -6.155
104 HA ILE 12 HA ILE 12 1.373 6.470 -9.028
105 HB ILE 12 HB ILE 12 4.068 6.898 -7.701
106 HG12 ILE 12 1HG1 ILE 12 2.386 8.864 -9.279
107 HG13 ILE 12 2HG1 ILE 12 2.313 8.750 -7.521
108 HG21 ILE 12 1HG2 ILE 12 4.713 7.563 -10.057
109 HG22 ILE 12 2HG2 ILE 12 3.175 6.891 -10.596
110 HG23 ILE 12 3HG2 ILE 12 4.380 5.846 -9.848
111 HD11 ILE 12 3HD1 ILE 12 3.929 10.492 -8.480
112 HD12 ILE 12 1HD1 ILE 12 4.922 9.130 -9.001
113 HD13 ILE 12 2HD1 ILE 12 4.599 9.382 -7.285
114 H LEU 13 H LEU 13 0.634 4.278 -8.913
115 HA LEU 13 HA LEU 13 1.793 2.065 -7.887
116 HB2 LEU 13 1HB LEU 13 0.897 1.852 -10.741
117 HB3 LEU 13 2HB LEU 13 0.543 0.805 -9.367
118 HG LEU 13 HG LEU 13 -0.692 3.003 -8.455
119 HD11 LEU 13 1HD1 LEU 13 -1.494 4.485 -10.070
120 HD12 LEU 13 2HD1 LEU 13 -1.239 3.353 -11.398
121 HD13 LEU 13 3HD1 LEU 13 0.135 4.177 -10.665
122 HD21 LEU 13 3HD2 LEU 13 -1.703 0.979 -10.462
123 HD22 LEU 13 1HD2 LEU 13 -2.779 2.176 -9.738
124 HD23 LEU 13 2HD2 LEU 13 -1.944 1.007 -8.716
Start of MODEL 6
1 H1 GLU 1 1H GLU 1 -1.858 -8.096 11.493
2 H2 GLU 1 2H GLU 1 -0.746 -6.852 11.807
3 H3 GLU 1 3H GLU 1 -0.196 -8.389 11.339
4 HA GLU 1 HA GLU 1 -0.232 -6.537 9.596
5 HB2 GLU 1 1HB GLU 1 -1.154 -8.294 7.896
6 HB3 GLU 1 2HB GLU 1 0.291 -8.690 8.825
7 HG2 GLU 1 1HG GLU 1 -1.050 -9.954 10.435
8 HG3 GLU 1 2HG GLU 1 -2.530 -9.501 9.591
9 H LEU 2 H LEU 2 -1.571 -4.806 9.576
10 HA LEU 2 HA LEU 2 -4.486 -5.224 9.328
11 HB2 LEU 2 1HB LEU 2 -2.959 -2.653 9.812
12 HB3 LEU 2 2HB LEU 2 -4.702 -2.889 9.931
13 HG LEU 2 HG LEU 2 -2.622 -4.264 11.659
14 HD11 LEU 2 1HD1 LEU 2 -2.872 -1.859 12.161
15 HD12 LEU 2 2HD1 LEU 2 -3.545 -2.846 13.459
16 HD13 LEU 2 3HD1 LEU 2 -4.618 -2.068 12.294
17 HD21 LEU 2 3HD2 LEU 2 -5.627 -4.471 11.438
18 HD22 LEU 2 1HD2 LEU 2 -4.832 -4.773 12.984
19 HD23 LEU 2 2HD2 LEU 2 -4.436 -5.764 11.583
20 H TYR 3 H TYR 3 -4.344 -2.324 8.214
21 HA TYR 3 HA TYR 3 -4.414 -3.142 5.419
22 HB2 TYR 3 1HB TYR 3 -6.142 -1.630 6.382
23 HB3 TYR 3 2HB TYR 3 -4.894 -0.415 6.653
24 HD1 TYR 3 HD2 TYR 3 -6.484 -2.499 3.988
25 HD2 TYR 3 HD1 TYR 3 -4.246 1.051 4.905
26 HE1 TYR 3 HE2 TYR 3 -6.736 -1.733 1.643
27 HE2 TYR 3 HE1 TYR 3 -4.498 1.816 2.561
28 HH TYR 3 HH TYR 3 -5.671 -0.247 0.072
29 H GLU 4 H GLU 4 -1.887 -3.482 6.306
30 HA GLU 4 HA GLU 4 -0.275 -1.128 5.724
31 HB2 GLU 4 1HB GLU 4 1.629 -2.604 6.216
32 HB3 GLU 4 2HB GLU 4 0.421 -2.679 7.500
33 HG2 GLU 4 1HG GLU 4 -0.514 -4.738 6.466
34 HG3 GLU 4 2HG GLU 4 0.757 -4.682 5.246
35 H ASN 5 H ASN 5 -2.023 -2.370 3.651
36 HA ASN 5 HA ASN 5 -0.031 -3.303 1.676
37 HB2 ASN 5 1HB ASN 5 -1.932 -4.071 0.381
38 HB3 ASN 5 2HB ASN 5 -2.074 -4.677 2.030
39 HD21 ASN 5 2HD2 ASN 5 -4.455 -4.658 0.788
40 HD22 ASN 5 1HD2 ASN 5 -5.408 -3.330 1.242
41 H LYS 6 H LYS 6 -0.444 -0.471 2.598
42 HA LYS 6 HA LYS 6 -1.619 0.872 0.314
43 HB2 LYS 6 1HB LYS 6 -1.826 1.754 2.642
44 HB3 LYS 6 2HB LYS 6 -0.090 2.064 2.635
45 HG2 LYS 6 1HG LYS 6 -0.274 3.675 0.895
46 HG3 LYS 6 2HG LYS 6 -1.915 3.172 0.496
47 HD2 LYS 6 1HD LYS 6 -2.014 5.252 1.760
48 HD3 LYS 6 2HD LYS 6 -2.660 3.945 2.751
49 HE2 LYS 6 1HE LYS 6 0.256 4.708 2.928
50 HE3 LYS 6 2HE LYS 6 -0.966 5.588 3.845
51 HZ1 LYS 6 3HZ LYS 6 -1.425 2.829 4.112
52 HZ2 LYS 6 1HZ LYS 6 -1.025 3.956 5.316
53 HZ3 LYS 6 2HZ LYS 6 0.206 3.145 4.471
54 HA PRO 7 HA PRO 7 2.914 1.877 -0.551
55 HB2 PRO 7 1HB PRO 7 4.915 0.422 0.546
56 HB3 PRO 7 2HB PRO 7 4.133 1.750 1.429
57 HG2 PRO 7 1HG PRO 7 3.795 -1.188 1.746
58 HG3 PRO 7 2HG PRO 7 3.706 0.096 2.963
59 HD2 PRO 7 1HD PRO 7 1.500 -1.159 1.687
60 HD3 PRO 7 2HD PRO 7 1.432 0.315 2.678
61 H ARG 8 H ARG 8 1.358 -0.939 -0.809
62 HA ARG 8 HA ARG 8 3.193 -2.280 -2.673
63 HB2 ARG 8 1HB ARG 8 0.423 -2.956 -1.644
64 HB3 ARG 8 2HB ARG 8 1.267 -3.905 -2.865
65 HG2 ARG 8 1HG ARG 8 3.110 -4.326 -1.299
66 HG3 ARG 8 2HG ARG 8 2.319 -3.329 -0.077
67 HD2 ARG 8 1HD ARG 8 0.391 -4.864 -0.068
68 HD3 ARG 8 2HD ARG 8 1.174 -5.861 -1.291
69 HE ARG 8 HE ARG 8 2.808 -5.491 1.051
70 HH11 ARG 8 1HH2 ARG 8 0.222 -7.275 -0.397
71 HH12 ARG 8 2HH2 ARG 8 0.425 -8.662 0.621
72 HH21 ARG 8 1HH1 ARG 8 3.077 -7.304 2.393
73 HH22 ARG 8 2HH1 ARG 8 2.041 -8.680 2.198
74 H ARG 9 H ARG 9 0.370 -0.351 -2.401
75 HA ARG 9 HA ARG 9 0.168 -0.068 -5.346
76 HB2 ARG 9 1HB ARG 9 -2.273 0.661 -4.677
77 HB3 ARG 9 2HB ARG 9 -1.883 -1.052 -4.827
78 HG2 ARG 9 1HG ARG 9 -1.626 -1.294 -2.456
79 HG3 ARG 9 2HG ARG 9 -1.699 0.450 -2.207
80 HD2 ARG 9 1HD ARG 9 -4.003 -1.008 -3.498
81 HD3 ARG 9 2HD ARG 9 -3.837 -0.969 -1.748
82 HE ARG 9 HE ARG 9 -4.193 1.377 -1.782
83 HH11 ARG 9 1HH2 ARG 9 -4.283 -0.065 -4.945
84 HH12 ARG 9 2HH2 ARG 9 -5.025 1.310 -5.688
85 HH21 ARG 9 1HH1 ARG 9 -5.156 3.169 -2.770
86 HH22 ARG 9 2HH1 ARG 9 -5.514 3.135 -4.464
87 HA PRO 10 HA PRO 10 1.240 3.875 -3.131
88 HB2 PRO 10 1HB PRO 10 3.287 4.689 -4.763
89 HB3 PRO 10 2HB PRO 10 3.521 3.561 -3.409
90 HG2 PRO 10 1HG PRO 10 3.232 2.977 -6.325
91 HG3 PRO 10 2HG PRO 10 4.347 2.268 -5.140
92 HD2 PRO 10 1HD PRO 10 2.048 1.017 -5.947
93 HD3 PRO 10 2HD PRO 10 2.750 0.782 -4.328
94 H TYR 11 H TYR 11 0.989 6.132 -3.932
95 HA TYR 11 HA TYR 11 -1.141 6.472 -5.687
96 HB2 TYR 11 1HB TYR 11 1.074 8.431 -5.026
97 HB3 TYR 11 2HB TYR 11 -0.452 8.854 -5.799
98 HD1 TYR 11 HD2 TYR 11 -2.614 8.503 -4.569
99 HD2 TYR 11 HD1 TYR 11 1.211 8.055 -2.666
100 HE1 TYR 11 HE2 TYR 11 -3.699 8.672 -2.346
101 HE2 TYR 11 HE1 TYR 11 0.125 8.224 -0.443
102 HH TYR 11 HH TYR 11 -2.041 7.924 0.573
103 H ILE 12 H ILE 12 2.346 6.694 -6.322
104 HA ILE 12 HA ILE 12 2.079 7.348 -9.082
105 HB ILE 12 HB ILE 12 4.385 6.154 -7.529
106 HG12 ILE 12 1HG1 ILE 12 3.972 8.972 -8.561
107 HG13 ILE 12 2HG1 ILE 12 3.539 8.476 -6.926
108 HG21 ILE 12 1HG2 ILE 12 4.172 7.204 -10.362
109 HG22 ILE 12 2HG2 ILE 12 4.728 5.613 -9.844
110 HG23 ILE 12 3HG2 ILE 12 5.710 7.041 -9.514
111 HD11 ILE 12 3HD1 ILE 12 5.769 9.444 -6.878
112 HD12 ILE 12 1HD1 ILE 12 6.298 8.375 -8.177
113 HD13 ILE 12 2HD1 ILE 12 5.901 7.708 -6.593
114 H LEU 13 H LEU 13 1.893 4.417 -7.280
115 HA LEU 13 HA LEU 13 1.566 2.231 -7.866
116 HB2 LEU 13 1HB LEU 13 0.633 3.534 -10.428
117 HB3 LEU 13 2HB LEU 13 0.478 1.816 -10.089
118 HG LEU 13 HG LEU 13 -0.652 3.984 -8.298
119 HD11 LEU 13 1HD1 LEU 13 -1.743 4.106 -10.475
120 HD12 LEU 13 2HD1 LEU 13 -2.845 3.374 -9.310
121 HD13 LEU 13 3HD1 LEU 13 -1.996 2.360 -10.477
122 HD21 LEU 13 3HD2 LEU 13 -0.761 0.970 -8.344
123 HD22 LEU 13 1HD2 LEU 13 -2.140 1.865 -7.708
124 HD23 LEU 13 2HD2 LEU 13 -0.555 2.053 -6.973
Start of MODEL 7
1 H1 GLU 1 1H GLU 1 -0.242 -5.862 6.635
2 H2 GLU 1 2H GLU 1 0.480 -6.939 7.733
3 H3 GLU 1 3H GLU 1 -0.621 -5.769 8.285
4 HA GLU 1 HA GLU 1 -1.426 -7.821 6.322
5 HB2 GLU 1 1HB GLU 1 -0.468 -8.943 8.335
6 HB3 GLU 1 2HB GLU 1 -1.579 -8.024 9.348
7 HG2 GLU 1 1HG GLU 1 -2.564 -10.191 8.980
8 HG3 GLU 1 2HG GLU 1 -3.486 -9.033 8.027
9 H LEU 2 H LEU 2 -2.064 -5.374 8.764
10 HA LEU 2 HA LEU 2 -4.938 -5.449 8.353
11 HB2 LEU 2 1HB LEU 2 -3.977 -4.930 10.568
12 HB3 LEU 2 2HB LEU 2 -3.218 -3.490 9.900
13 HG LEU 2 HG LEU 2 -5.481 -2.624 9.285
14 HD11 LEU 2 1HD1 LEU 2 -6.295 -5.263 10.487
15 HD12 LEU 2 2HD1 LEU 2 -6.912 -4.455 9.044
16 HD13 LEU 2 3HD1 LEU 2 -7.376 -3.876 10.640
17 HD21 LEU 2 3HD2 LEU 2 -5.215 -3.393 12.208
18 HD22 LEU 2 1HD2 LEU 2 -6.123 -2.025 11.564
19 HD23 LEU 2 2HD2 LEU 2 -4.363 -2.050 11.444
20 H TYR 3 H TYR 3 -3.321 -2.372 8.552
21 HA TYR 3 HA TYR 3 -4.390 -1.646 5.890
22 HB2 TYR 3 1HB TYR 3 -5.213 -0.315 7.798
23 HB3 TYR 3 2HB TYR 3 -3.554 0.124 8.205
24 HD1 TYR 3 HD1 TYR 3 -6.040 0.241 5.410
25 HD2 TYR 3 HD2 TYR 3 -2.537 1.992 7.177
26 HE1 TYR 3 HE1 TYR 3 -6.138 2.096 3.769
27 HE2 TYR 3 HE2 TYR 3 -2.637 3.846 5.535
28 HH TYR 3 HH TYR 3 -4.885 4.870 4.055
29 H GLU 4 H GLU 4 -1.749 -2.994 6.723
30 HA GLU 4 HA GLU 4 0.258 -1.048 5.927
31 HB2 GLU 4 1HB GLU 4 0.399 -3.992 6.599
32 HB3 GLU 4 2HB GLU 4 1.801 -3.022 6.141
33 HG2 GLU 4 1HG GLU 4 1.412 -1.514 8.025
34 HG3 GLU 4 2HG GLU 4 -0.048 -2.399 8.461
35 H ASN 5 H ASN 5 -1.952 -2.008 4.081
36 HA ASN 5 HA ASN 5 -0.378 -3.268 1.927
37 HB2 ASN 5 1HB ASN 5 -3.336 -2.771 2.302
38 HB3 ASN 5 2HB ASN 5 -2.643 -3.386 0.802
39 HD21 ASN 5 2HD2 ASN 5 -4.473 -4.948 2.375
40 HD22 ASN 5 1HD2 ASN 5 -3.625 -6.281 2.999
41 H LYS 6 H LYS 6 -0.491 -0.316 2.984
42 HA LYS 6 HA LYS 6 -1.359 1.134 0.623
43 HB2 LYS 6 1HB LYS 6 -1.622 1.962 3.003
44 HB3 LYS 6 2HB LYS 6 0.119 2.242 3.006
45 HG2 LYS 6 1HG LYS 6 -0.075 3.752 1.102
46 HG3 LYS 6 2HG LYS 6 -1.800 3.410 0.970
47 HD2 LYS 6 1HD LYS 6 -1.449 5.538 2.145
48 HD3 LYS 6 2HD LYS 6 -2.148 4.344 3.238
49 HE2 LYS 6 1HE LYS 6 0.846 4.590 3.109
50 HE3 LYS 6 2HE LYS 6 -0.072 5.799 4.008
51 HZ1 LYS 6 3HZ LYS 6 0.705 3.417 4.988
52 HZ2 LYS 6 1HZ LYS 6 -0.889 3.083 4.516
53 HZ3 LYS 6 2HZ LYS 6 -0.575 4.349 5.604
54 HA PRO 7 HA PRO 7 3.292 1.762 0.135
55 HB2 PRO 7 1HB PRO 7 5.077 0.235 1.458
56 HB3 PRO 7 2HB PRO 7 4.263 1.602 2.249
57 HG2 PRO 7 1HG PRO 7 3.752 -1.316 2.523
58 HG3 PRO 7 2HG PRO 7 3.600 -0.027 3.728
59 HD2 PRO 7 1HD PRO 7 1.481 -1.160 2.200
60 HD3 PRO 7 2HD PRO 7 1.380 0.300 3.205
61 H ARG 8 H ARG 8 1.542 -0.824 -0.414
62 HA ARG 8 HA ARG 8 3.525 -2.262 -2.088
63 HB2 ARG 8 1HB ARG 8 0.778 -3.047 -1.082
64 HB3 ARG 8 2HB ARG 8 1.658 -3.955 -2.309
65 HG2 ARG 8 1HG ARG 8 3.535 -4.274 -0.729
66 HG3 ARG 8 2HG ARG 8 2.643 -3.380 0.503
67 HD2 ARG 8 1HD ARG 8 0.845 -5.048 0.442
68 HD3 ARG 8 2HD ARG 8 1.684 -5.926 -0.833
69 HE ARG 8 HE ARG 8 3.217 -6.724 0.758
70 HH11 ARG 8 1HH2 ARG 8 1.055 -4.367 2.089
71 HH12 ARG 8 2HH2 ARG 8 1.483 -4.705 3.732
72 HH21 ARG 8 1HH1 ARG 8 3.779 -7.167 2.909
73 HH22 ARG 8 2HH1 ARG 8 3.025 -6.288 4.196
74 H ARG 9 H ARG 9 0.757 -0.276 -1.922
75 HA ARG 9 HA ARG 9 0.554 -0.188 -4.882
76 HB2 ARG 9 1HB ARG 9 -1.659 0.183 -2.842
77 HB3 ARG 9 2HB ARG 9 -1.828 0.395 -4.585
78 HG2 ARG 9 1HG ARG 9 -1.123 -1.975 -4.907
79 HG3 ARG 9 2HG ARG 9 -1.079 -2.172 -3.155
80 HD2 ARG 9 1HD ARG 9 -3.548 -1.206 -4.602
81 HD3 ARG 9 2HD ARG 9 -3.229 -2.917 -4.333
82 HE ARG 9 HE ARG 9 -2.958 -1.673 -1.859
83 HH11 ARG 9 1HH2 ARG 9 -5.377 -2.114 -4.295
84 HH12 ARG 9 2HH2 ARG 9 -6.702 -2.069 -3.181
85 HH21 ARG 9 1HH1 ARG 9 -4.691 -1.615 -0.393
86 HH22 ARG 9 2HH1 ARG 9 -6.314 -1.788 -0.973
87 HA PRO 10 HA PRO 10 2.077 3.805 -3.065
88 HB2 PRO 10 1HB PRO 10 3.012 4.048 -5.910
89 HB3 PRO 10 2HB PRO 10 3.879 4.417 -4.404
90 HG2 PRO 10 1HG PRO 10 4.429 2.214 -5.781
91 HG3 PRO 10 2HG PRO 10 4.405 2.198 -4.008
92 HD2 PRO 10 1HD PRO 10 2.352 1.140 -5.930
93 HD3 PRO 10 2HD PRO 10 2.875 0.487 -4.364
94 H TYR 11 H TYR 11 1.928 6.103 -4.413
95 HA TYR 11 HA TYR 11 -0.818 6.650 -4.656
96 HB2 TYR 11 1HB TYR 11 1.563 8.184 -5.729
97 HB3 TYR 11 2HB TYR 11 -0.082 8.814 -5.636
98 HD1 TYR 11 HD2 TYR 11 2.815 7.629 -3.653
99 HD2 TYR 11 HD1 TYR 11 -1.053 9.495 -3.538
100 HE1 TYR 11 HE2 TYR 11 3.193 8.267 -1.287
101 HE2 TYR 11 HE1 TYR 11 -0.675 10.130 -1.170
102 HH TYR 11 HH TYR 11 2.075 10.357 0.253
103 H ILE 12 H ILE 12 1.676 6.181 -7.155
104 HA ILE 12 HA ILE 12 -0.419 6.081 -9.232
105 HB ILE 12 HB ILE 12 1.524 7.545 -9.644
106 HG12 ILE 12 1HG1 ILE 12 1.625 5.109 -11.441
107 HG13 ILE 12 2HG1 ILE 12 0.313 6.287 -11.488
108 HG21 ILE 12 1HG2 ILE 12 3.741 6.742 -9.754
109 HG22 ILE 12 2HG2 ILE 12 3.228 5.057 -9.818
110 HG23 ILE 12 3HG2 ILE 12 3.089 5.966 -8.312
111 HD11 ILE 12 3HD1 ILE 12 2.104 6.750 -13.178
112 HD12 ILE 12 1HD1 ILE 12 3.244 6.977 -11.850
113 HD13 ILE 12 2HD1 ILE 12 1.875 8.074 -12.034
114 H LEU 13 H LEU 13 2.375 4.239 -8.039
115 HA LEU 13 HA LEU 13 1.309 1.735 -7.950
116 HB2 LEU 13 1HB LEU 13 1.681 2.564 -10.743
117 HB3 LEU 13 2HB LEU 13 2.611 1.118 -10.384
118 HG LEU 13 HG LEU 13 -0.301 1.324 -9.580
119 HD11 LEU 13 1HD1 LEU 13 -0.383 1.715 -11.939
120 HD12 LEU 13 2HD1 LEU 13 -0.716 -0.003 -11.718
121 HD13 LEU 13 3HD1 LEU 13 0.880 0.524 -12.249
122 HD21 LEU 13 3HD2 LEU 13 1.293 -0.475 -8.693
123 HD22 LEU 13 1HD2 LEU 13 1.373 -1.081 -10.346
124 HD23 LEU 13 2HD2 LEU 13 -0.167 -1.065 -9.486
Start of MODEL 8
1 H1 GLU 1 1H GLU 1 -2.473 -7.262 11.485
2 H2 GLU 1 2H GLU 1 -1.037 -6.371 11.310
3 H3 GLU 1 3H GLU 1 -0.994 -8.069 11.291
4 HA GLU 1 HA GLU 1 -0.908 -6.694 9.079
5 HB2 GLU 1 1HB GLU 1 -0.872 -9.172 9.334
6 HB3 GLU 1 2HB GLU 1 -2.633 -9.165 9.435
7 HG2 GLU 1 1HG GLU 1 -2.771 -8.179 7.185
8 HG3 GLU 1 2HG GLU 1 -1.014 -8.132 7.089
9 H LEU 2 H LEU 2 -2.203 -4.731 9.614
10 HA LEU 2 HA LEU 2 -5.094 -4.996 9.051
11 HB2 LEU 2 1HB LEU 2 -3.454 -2.691 10.134
12 HB3 LEU 2 2HB LEU 2 -5.187 -2.625 9.821
13 HG LEU 2 HG LEU 2 -3.864 -4.622 11.685
14 HD11 LEU 2 1HD1 LEU 2 -3.581 -2.423 12.630
15 HD12 LEU 2 2HD1 LEU 2 -4.924 -3.189 13.478
16 HD13 LEU 2 3HD1 LEU 2 -5.241 -1.979 12.235
17 HD21 LEU 2 3HD2 LEU 2 -6.708 -4.037 10.864
18 HD22 LEU 2 1HD2 LEU 2 -6.394 -4.609 12.502
19 HD23 LEU 2 2HD2 LEU 2 -5.918 -5.592 11.124
20 H TYR 3 H TYR 3 -3.520 -1.999 8.472
21 HA TYR 3 HA TYR 3 -4.026 -2.272 5.568
22 HB2 TYR 3 1HB TYR 3 -5.145 -0.431 6.954
23 HB3 TYR 3 2HB TYR 3 -3.542 0.291 7.094
24 HD1 TYR 3 HD1 TYR 3 -6.073 -0.899 4.626
25 HD2 TYR 3 HD2 TYR 3 -2.622 1.566 5.311
26 HE1 TYR 3 HE1 TYR 3 -6.337 0.097 2.370
27 HE2 TYR 3 HE2 TYR 3 -2.887 2.561 3.056
28 HH TYR 3 HH TYR 3 -4.836 2.901 1.415
29 H GLU 4 H GLU 4 -1.800 -3.565 6.193
30 HA GLU 4 HA GLU 4 0.521 -1.815 6.131
31 HB2 GLU 4 1HB GLU 4 1.817 -3.863 6.238
32 HB3 GLU 4 2HB GLU 4 0.512 -3.949 7.420
33 HG2 GLU 4 1HG GLU 4 -0.839 -5.259 5.787
34 HG3 GLU 4 2HG GLU 4 0.529 -5.244 4.675
35 H ASN 5 H ASN 5 -1.627 -3.011 3.861
36 HA ASN 5 HA ASN 5 0.291 -3.402 1.708
37 HB2 ASN 5 1HB ASN 5 -1.652 -3.852 0.332
38 HB3 ASN 5 2HB ASN 5 -1.820 -4.720 1.856
39 HD21 ASN 5 2HD2 ASN 5 -4.158 -4.198 0.430
40 HD22 ASN 5 1HD2 ASN 5 -5.055 -2.988 1.212
41 H LYS 6 H LYS 6 0.688 -0.914 2.751
42 HA LYS 6 HA LYS 6 -0.785 1.052 1.194
43 HB2 LYS 6 1HB LYS 6 0.014 1.403 3.590
44 HB3 LYS 6 2HB LYS 6 1.637 1.572 2.921
45 HG2 LYS 6 1HG LYS 6 0.704 3.345 1.367
46 HG3 LYS 6 2HG LYS 6 -0.787 3.278 2.307
47 HD2 LYS 6 1HD LYS 6 1.971 3.972 3.362
48 HD3 LYS 6 2HD LYS 6 0.621 5.087 3.152
49 HE2 LYS 6 1HE LYS 6 -0.672 3.444 4.723
50 HE3 LYS 6 2HE LYS 6 0.937 2.870 5.165
51 HZ1 LYS 6 3HZ LYS 6 1.401 5.402 5.422
52 HZ2 LYS 6 1HZ LYS 6 0.631 4.546 6.668
53 HZ3 LYS 6 2HZ LYS 6 -0.286 5.502 5.602
54 HA PRO 7 HA PRO 7 3.379 1.316 -1.015
55 HB2 PRO 7 1HB PRO 7 5.266 -0.588 -0.715
56 HB3 PRO 7 2HB PRO 7 5.050 0.699 0.489
57 HG2 PRO 7 1HG PRO 7 4.236 -2.157 0.615
58 HG3 PRO 7 2HG PRO 7 4.753 -1.073 1.916
59 HD2 PRO 7 1HD PRO 7 2.066 -1.740 1.243
60 HD3 PRO 7 2HD PRO 7 2.581 -0.463 2.368
61 H ARG 8 H ARG 8 1.222 -1.058 -1.018
62 HA ARG 8 HA ARG 8 2.122 -2.503 -3.414
63 HB2 ARG 8 1HB ARG 8 -0.495 -2.704 -1.891
64 HB3 ARG 8 2HB ARG 8 0.089 -3.816 -3.127
65 HG2 ARG 8 1HG ARG 8 1.660 -3.299 -0.598
66 HG3 ARG 8 2HG ARG 8 0.400 -4.529 -0.666
67 HD2 ARG 8 1HD ARG 8 1.587 -5.552 -2.626
68 HD3 ARG 8 2HD ARG 8 2.893 -4.396 -2.388
69 HE ARG 8 HE ARG 8 2.252 -5.902 -0.010
70 HH11 ARG 8 1HH2 ARG 8 4.011 -5.806 -2.989
71 HH12 ARG 8 2HH2 ARG 8 5.241 -6.904 -2.458
72 HH21 ARG 8 1HH1 ARG 8 3.863 -7.344 0.693
73 HH22 ARG 8 2HH1 ARG 8 5.157 -7.775 -0.374
74 H ARG 9 H ARG 9 0.070 -0.024 -2.242
75 HA ARG 9 HA ARG 9 -0.873 0.604 -4.987
76 HB2 ARG 9 1HB ARG 9 -2.804 1.743 -3.745
77 HB3 ARG 9 2HB ARG 9 -2.823 -0.021 -3.785
78 HG2 ARG 9 1HG ARG 9 -1.822 -0.106 -1.550
79 HG3 ARG 9 2HG ARG 9 -1.733 1.655 -1.506
80 HD2 ARG 9 1HD ARG 9 -3.737 0.588 -0.316
81 HD3 ARG 9 2HD ARG 9 -4.097 1.882 -1.455
82 HE ARG 9 HE ARG 9 -4.171 -0.767 -2.624
83 HH11 ARG 9 1HH2 ARG 9 -5.885 1.710 -0.921
84 HH12 ARG 9 2HH2 ARG 9 -7.447 1.196 -1.465
85 HH21 ARG 9 1HH1 ARG 9 -6.215 -1.447 -3.342
86 HH22 ARG 9 2HH1 ARG 9 -7.634 -0.592 -2.837
87 HA PRO 10 HA PRO 10 1.745 3.926 -2.862
88 HB2 PRO 10 1HB PRO 10 3.522 4.266 -4.984
89 HB3 PRO 10 2HB PRO 10 3.799 3.186 -3.601
90 HG2 PRO 10 1HG PRO 10 2.793 2.542 -6.336
91 HG3 PRO 10 2HG PRO 10 3.922 1.641 -5.308
92 HD2 PRO 10 1HD PRO 10 1.338 0.896 -5.569
93 HD3 PRO 10 2HD PRO 10 2.226 0.686 -4.045
94 H TYR 11 H TYR 11 -0.718 3.921 -4.701
95 HA TYR 11 HA TYR 11 -1.907 5.418 -5.989
96 HB2 TYR 11 1HB TYR 11 -1.367 6.833 -3.960
97 HB3 TYR 11 2HB TYR 11 0.017 7.463 -4.853
98 HD1 TYR 11 HD2 TYR 11 -3.693 7.086 -4.978
99 HD2 TYR 11 HD1 TYR 11 -0.255 9.194 -6.458
100 HE1 TYR 11 HE2 TYR 11 -5.180 8.707 -6.121
101 HE2 TYR 11 HE1 TYR 11 -1.743 10.815 -7.603
102 HH TYR 11 HH TYR 11 -5.292 10.530 -7.370
103 H ILE 12 H ILE 12 -0.390 4.063 -7.538
104 HA ILE 12 HA ILE 12 0.718 3.979 -9.526
105 HB ILE 12 HB ILE 12 0.042 6.932 -9.596
106 HG12 ILE 12 1HG1 ILE 12 -1.243 4.601 -11.041
107 HG13 ILE 12 2HG1 ILE 12 -1.851 5.233 -9.510
108 HG21 ILE 12 1HG2 ILE 12 1.192 5.044 -11.659
109 HG22 ILE 12 2HG2 ILE 12 1.851 6.589 -11.117
110 HG23 ILE 12 3HG2 ILE 12 0.385 6.550 -12.098
111 HD11 ILE 12 3HD1 ILE 12 -2.142 7.453 -10.525
112 HD12 ILE 12 1HD1 ILE 12 -3.038 6.240 -11.436
113 HD13 ILE 12 2HD1 ILE 12 -1.503 6.851 -12.054
114 H LEU 13 H LEU 13 2.680 3.405 -8.680
115 HA LEU 13 HA LEU 13 4.584 4.769 -7.350
116 HB2 LEU 13 1HB LEU 13 4.617 2.385 -8.370
117 HB3 LEU 13 2HB LEU 13 5.348 3.147 -9.778
118 HG LEU 13 HG LEU 13 7.197 2.412 -8.532
119 HD11 LEU 13 1HD1 LEU 13 7.396 4.826 -9.122
120 HD12 LEU 13 2HD1 LEU 13 8.345 4.369 -7.714
121 HD13 LEU 13 3HD1 LEU 13 6.831 5.235 -7.500
122 HD21 LEU 13 3HD2 LEU 13 7.432 2.593 -6.122
123 HD22 LEU 13 1HD2 LEU 13 5.900 1.813 -6.499
124 HD23 LEU 13 2HD2 LEU 13 5.931 3.504 -6.003
Start of MODEL 9
1 H1 GLU 1 1H GLU 1 1.675 -4.684 8.197
2 H2 GLU 1 2H GLU 1 1.433 -3.566 9.453
3 H3 GLU 1 3H GLU 1 0.212 -3.834 8.301
4 HA GLU 1 HA GLU 1 0.756 -6.318 9.340
5 HB2 GLU 1 1HB GLU 1 0.576 -4.181 11.490
6 HB3 GLU 1 2HB GLU 1 0.404 -5.913 11.778
7 HG2 GLU 1 1HG GLU 1 2.846 -4.622 10.533
8 HG3 GLU 1 2HG GLU 1 2.719 -5.075 12.231
9 H LEU 2 H LEU 2 -1.101 -3.323 9.748
10 HA LEU 2 HA LEU 2 -3.616 -4.827 9.954
11 HB2 LEU 2 1HB LEU 2 -2.797 -1.956 10.341
12 HB3 LEU 2 2HB LEU 2 -4.493 -2.344 10.066
13 HG LEU 2 HG LEU 2 -4.429 -3.925 11.974
14 HD11 LEU 2 1HD1 LEU 2 -2.160 -4.639 12.022
15 HD12 LEU 2 2HD1 LEU 2 -2.363 -3.683 13.491
16 HD13 LEU 2 3HD1 LEU 2 -1.557 -2.983 12.086
17 HD21 LEU 2 3HD2 LEU 2 -4.229 -2.217 13.754
18 HD22 LEU 2 1HD2 LEU 2 -5.086 -1.574 12.354
19 HD23 LEU 2 2HD2 LEU 2 -3.397 -1.145 12.628
20 H TYR 3 H TYR 3 -3.599 -1.750 8.371
21 HA TYR 3 HA TYR 3 -4.658 -2.988 5.936
22 HB2 TYR 3 1HB TYR 3 -5.436 -0.812 5.341
23 HB3 TYR 3 2HB TYR 3 -5.769 -1.001 7.059
24 HD1 TYR 3 HD2 TYR 3 -4.044 -0.047 8.732
25 HD2 TYR 3 HD1 TYR 3 -4.121 0.989 4.562
26 HE1 TYR 3 HE2 TYR 3 -2.699 1.982 9.204
27 HE2 TYR 3 HE1 TYR 3 -2.778 3.011 5.035
28 HH TYR 3 HH TYR 3 -0.973 3.508 7.379
29 H GLU 4 H GLU 4 -2.050 -3.642 6.214
30 HA GLU 4 HA GLU 4 -0.339 -1.742 4.857
31 HB2 GLU 4 1HB GLU 4 1.374 -3.483 5.074
32 HB3 GLU 4 2HB GLU 4 0.543 -3.226 6.610
33 HG2 GLU 4 1HG GLU 4 -0.915 -5.170 6.130
34 HG3 GLU 4 2HG GLU 4 -0.043 -5.447 4.625
35 H ASN 5 H ASN 5 -2.689 -2.591 3.399
36 HA ASN 5 HA ASN 5 -1.561 -4.197 1.191
37 HB2 ASN 5 1HB ASN 5 -4.398 -3.351 1.822
38 HB3 ASN 5 2HB ASN 5 -3.919 -4.261 0.388
39 HD21 ASN 5 2HD2 ASN 5 -5.151 -4.710 3.456
40 HD22 ASN 5 1HD2 ASN 5 -4.588 -6.283 3.750
41 H LYS 6 H LYS 6 -1.612 -1.069 2.092
42 HA LYS 6 HA LYS 6 -2.349 0.069 -0.502
43 HB2 LYS 6 1HB LYS 6 -2.784 1.043 1.952
44 HB3 LYS 6 2HB LYS 6 -1.201 1.767 1.686
45 HG2 LYS 6 1HG LYS 6 -2.087 2.625 -0.535
46 HG3 LYS 6 2HG LYS 6 -3.687 2.102 -0.006
47 HD2 LYS 6 1HD LYS 6 -3.545 3.543 1.964
48 HD3 LYS 6 2HD LYS 6 -1.908 4.025 1.523
49 HE2 LYS 6 1HE LYS 6 -2.766 5.004 -0.580
50 HE3 LYS 6 2HE LYS 6 -4.406 4.543 -0.119
51 HZ1 LYS 6 3HZ LYS 6 -3.673 6.896 0.409
52 HZ2 LYS 6 1HZ LYS 6 -2.708 6.215 1.625
53 HZ3 LYS 6 2HZ LYS 6 -4.392 6.018 1.672
54 HA PRO 7 HA PRO 7 2.359 1.065 -0.213
55 HB2 PRO 7 1HB PRO 7 3.497 -1.170 1.353
56 HB3 PRO 7 2HB PRO 7 3.742 0.574 1.561
57 HG2 PRO 7 1HG PRO 7 2.309 -0.920 3.306
58 HG3 PRO 7 2HG PRO 7 1.958 0.789 2.989
59 HD2 PRO 7 1HD PRO 7 0.542 -1.646 1.941
60 HD3 PRO 7 2HD PRO 7 -0.133 -0.096 2.488
61 H ARG 8 H ARG 8 0.638 -1.614 -0.903
62 HA ARG 8 HA ARG 8 2.680 -3.048 -2.443
63 HB2 ARG 8 1HB ARG 8 -0.308 -3.468 -2.144
64 HB3 ARG 8 2HB ARG 8 0.761 -4.511 -3.080
65 HG2 ARG 8 1HG ARG 8 2.050 -5.042 -1.056
66 HG3 ARG 8 2HG ARG 8 1.027 -3.959 -0.109
67 HD2 ARG 8 1HD ARG 8 0.229 -6.232 0.198
68 HD3 ARG 8 2HD ARG 8 -0.953 -5.342 -0.756
69 HE ARG 8 HE ARG 8 0.906 -6.676 -2.456
70 HH11 ARG 8 1HH2 ARG 8 -1.803 -7.157 -0.360
71 HH12 ARG 8 2HH2 ARG 8 -2.358 -8.582 -1.174
72 HH21 ARG 8 1HH1 ARG 8 0.192 -8.547 -3.526
73 HH22 ARG 8 2HH1 ARG 8 -1.231 -9.365 -2.973
74 H ARG 9 H ARG 9 0.076 -0.827 -2.661
75 HA ARG 9 HA ARG 9 0.540 -0.441 -5.564
76 HB2 ARG 9 1HB ARG 9 -1.732 -1.402 -4.988
77 HB3 ARG 9 2HB ARG 9 -2.055 0.084 -4.094
78 HG2 ARG 9 1HG ARG 9 -1.510 1.367 -6.203
79 HG3 ARG 9 2HG ARG 9 -1.472 -0.178 -7.054
80 HD2 ARG 9 1HD ARG 9 -3.830 0.919 -5.500
81 HD3 ARG 9 2HD ARG 9 -3.691 0.886 -7.255
82 HE ARG 9 HE ARG 9 -3.348 -1.718 -6.600
83 HH11 ARG 9 1HH2 ARG 9 -5.680 0.686 -5.718
84 HH12 ARG 9 2HH2 ARG 9 -6.952 -0.456 -5.446
85 HH21 ARG 9 1HH1 ARG 9 -5.024 -3.214 -6.277
86 HH22 ARG 9 2HH1 ARG 9 -6.584 -2.659 -5.765
87 HA PRO 10 HA PRO 10 1.749 3.226 -3.031
88 HB2 PRO 10 1HB PRO 10 3.530 3.746 -5.374
89 HB3 PRO 10 2HB PRO 10 3.932 3.681 -3.645
90 HG2 PRO 10 1HG PRO 10 4.644 1.723 -5.334
91 HG3 PRO 10 2HG PRO 10 4.188 1.392 -3.653
92 HD2 PRO 10 1HD PRO 10 2.569 1.006 -6.156
93 HD3 PRO 10 2HD PRO 10 2.666 -0.017 -4.704
94 H TYR 11 H TYR 11 1.102 5.414 -3.322
95 HA TYR 11 HA TYR 11 -1.008 5.928 -5.070
96 HB2 TYR 11 1HB TYR 11 -0.672 7.305 -3.108
97 HB3 TYR 11 2HB TYR 11 0.890 7.862 -3.712
98 HD1 TYR 11 HD2 TYR 11 -2.782 7.944 -4.350
99 HD2 TYR 11 HD1 TYR 11 1.054 9.625 -5.300
100 HE1 TYR 11 HE2 TYR 11 -3.893 9.778 -5.602
101 HE2 TYR 11 HE1 TYR 11 -0.053 11.457 -6.548
102 HH TYR 11 HH TYR 11 -3.605 11.700 -6.681
103 H ILE 12 H ILE 12 2.434 6.807 -5.382
104 HA ILE 12 HA ILE 12 2.164 8.064 -7.923
105 HB ILE 12 HB ILE 12 4.113 8.447 -6.454
106 HG12 ILE 12 1HG1 ILE 12 5.029 7.057 -8.984
107 HG13 ILE 12 2HG1 ILE 12 4.226 8.629 -9.008
108 HG21 ILE 12 1HG2 ILE 12 4.949 5.631 -7.188
109 HG22 ILE 12 2HG2 ILE 12 4.169 6.034 -5.660
110 HG23 ILE 12 3HG2 ILE 12 5.743 6.725 -6.056
111 HD11 ILE 12 3HD1 ILE 12 6.785 8.681 -8.955
112 HD12 ILE 12 1HD1 ILE 12 6.662 8.085 -7.299
113 HD13 ILE 12 2HD1 ILE 12 5.963 9.646 -7.728
114 H LEU 13 H LEU 13 2.409 4.811 -6.818
115 HA LEU 13 HA LEU 13 2.339 2.784 -7.843
116 HB2 LEU 13 1HB LEU 13 0.331 3.595 -8.906
117 HB3 LEU 13 2HB LEU 13 1.264 4.447 -10.134
118 HG LEU 13 HG LEU 13 2.115 2.317 -11.006
119 HD11 LEU 13 1HD1 LEU 13 0.903 0.206 -10.016
120 HD12 LEU 13 2HD1 LEU 13 0.682 1.220 -8.589
121 HD13 LEU 13 3HD1 LEU 13 2.306 0.863 -9.175
122 HD21 LEU 13 3HD2 LEU 13 -0.884 2.131 -10.595
123 HD22 LEU 13 1HD2 LEU 13 0.049 1.480 -11.942
124 HD23 LEU 13 2HD2 LEU 13 -0.120 3.224 -11.749
Start of MODEL 10
1 H1 GLU 1 1H GLU 1 -0.618 -6.566 10.230
2 H2 GLU 1 2H GLU 1 -1.132 -8.141 9.853
3 H3 GLU 1 3H GLU 1 -2.273 -6.901 10.076
4 HA GLU 1 HA GLU 1 -0.493 -6.062 8.093
5 HB2 GLU 1 1HB GLU 1 -1.648 -8.842 7.708
6 HB3 GLU 1 2HB GLU 1 -0.972 -7.855 6.411
7 HG2 GLU 1 1HG GLU 1 0.544 -8.714 8.895
8 HG3 GLU 1 2HG GLU 1 0.673 -9.497 7.322
9 H LEU 2 H LEU 2 -2.412 -4.697 9.067
10 HA LEU 2 HA LEU 2 -4.967 -5.221 7.728
11 HB2 LEU 2 1HB LEU 2 -4.106 -3.049 9.654
12 HB3 LEU 2 2HB LEU 2 -5.744 -3.262 9.040
13 HG LEU 2 HG LEU 2 -4.213 -5.397 10.557
14 HD11 LEU 2 1HD1 LEU 2 -6.389 -3.541 11.568
15 HD12 LEU 2 2HD1 LEU 2 -4.675 -3.385 11.953
16 HD13 LEU 2 3HD1 LEU 2 -5.576 -4.802 12.492
17 HD21 LEU 2 3HD2 LEU 2 -7.001 -5.173 9.429
18 HD22 LEU 2 1HD2 LEU 2 -6.727 -6.152 10.869
19 HD23 LEU 2 2HD2 LEU 2 -5.884 -6.536 9.373
20 H TYR 3 H TYR 3 -3.776 -1.977 8.245
21 HA TYR 3 HA TYR 3 -4.171 -1.413 5.402
22 HB2 TYR 3 1HB TYR 3 -4.731 0.025 7.713
23 HB3 TYR 3 2HB TYR 3 -3.276 0.822 7.131
24 HD1 TYR 3 HD2 TYR 3 -3.437 0.774 4.261
25 HD2 TYR 3 HD1 TYR 3 -6.628 1.262 7.095
26 HE1 TYR 3 HE2 TYR 3 -4.765 1.967 2.550
27 HE2 TYR 3 HE1 TYR 3 -7.960 2.458 5.377
28 HH TYR 3 HH TYR 3 -6.582 3.432 2.331
29 H GLU 4 H GLU 4 -1.861 -2.985 6.460
30 HA GLU 4 HA GLU 4 0.444 -1.265 5.960
31 HB2 GLU 4 1HB GLU 4 0.174 -4.204 6.618
32 HB3 GLU 4 2HB GLU 4 1.719 -3.406 6.316
33 HG2 GLU 4 1HG GLU 4 1.286 -1.832 8.145
34 HG3 GLU 4 2HG GLU 4 -0.284 -2.580 8.432
35 H ASN 5 H ASN 5 -1.780 -2.435 4.016
36 HA ASN 5 HA ASN 5 -0.007 -3.525 1.930
37 HB2 ASN 5 1HB ASN 5 -3.019 -3.342 2.163
38 HB3 ASN 5 2HB ASN 5 -2.176 -3.973 0.751
39 HD21 ASN 5 2HD2 ASN 5 -0.033 -5.112 2.698
40 HD22 ASN 5 1HD2 ASN 5 -0.758 -6.521 3.302
41 H LYS 6 H LYS 6 -0.387 -0.599 2.905
42 HA LYS 6 HA LYS 6 -1.404 0.717 0.525
43 HB2 LYS 6 1HB LYS 6 -1.678 1.601 2.890
44 HB3 LYS 6 2HB LYS 6 0.035 2.016 2.837
45 HG2 LYS 6 1HG LYS 6 -0.434 3.288 0.699
46 HG3 LYS 6 2HG LYS 6 -2.149 3.026 1.000
47 HD2 LYS 6 1HD LYS 6 -1.949 5.063 2.075
48 HD3 LYS 6 2HD LYS 6 -1.479 4.031 3.422
49 HE2 LYS 6 1HE LYS 6 0.469 5.294 1.462
50 HE3 LYS 6 2HE LYS 6 0.092 5.943 3.056
51 HZ1 LYS 6 3HZ LYS 6 1.403 3.371 2.399
52 HZ2 LYS 6 1HZ LYS 6 0.771 3.702 3.939
53 HZ3 LYS 6 2HZ LYS 6 2.024 4.662 3.311
54 HA PRO 7 HA PRO 7 3.188 1.638 -0.085
55 HB2 PRO 7 1HB PRO 7 5.090 0.248 1.249
56 HB3 PRO 7 2HB PRO 7 4.242 1.621 1.991
57 HG2 PRO 7 1HG PRO 7 3.899 -1.288 2.468
58 HG3 PRO 7 2HG PRO 7 3.659 0.074 3.576
59 HD2 PRO 7 1HD PRO 7 1.630 -1.322 2.119
60 HD3 PRO 7 2HD PRO 7 1.418 0.161 3.075
61 H ARG 8 H ARG 8 1.574 -1.051 -0.484
62 HA ARG 8 HA ARG 8 3.578 -2.484 -2.128
63 HB2 ARG 8 1HB ARG 8 0.843 -3.294 -1.105
64 HB3 ARG 8 2HB ARG 8 1.787 -4.246 -2.250
65 HG2 ARG 8 1HG ARG 8 3.628 -4.402 -0.616
66 HG3 ARG 8 2HG ARG 8 2.695 -3.439 0.531
67 HD2 ARG 8 1HD ARG 8 0.935 -5.166 0.553
68 HD3 ARG 8 2HD ARG 8 1.860 -6.126 -0.599
69 HE ARG 8 HE ARG 8 3.356 -5.482 1.778
70 HH11 ARG 8 1HH2 ARG 8 1.017 -7.594 0.345
71 HH12 ARG 8 2HH2 ARG 8 1.358 -8.916 1.412
72 HH21 ARG 8 1HH1 ARG 8 3.803 -7.205 3.176
73 HH22 ARG 8 2HH1 ARG 8 2.935 -8.696 3.016
74 H ARG 9 H ARG 9 0.766 -0.567 -2.020
75 HA ARG 9 HA ARG 9 0.530 -0.595 -4.978
76 HB2 ARG 9 1HB ARG 9 -1.448 -1.572 -3.655
77 HB3 ARG 9 2HB ARG 9 -1.726 0.072 -3.080
78 HG2 ARG 9 1HG ARG 9 -1.910 0.865 -5.407
79 HG3 ARG 9 2HG ARG 9 -1.611 -0.773 -5.990
80 HD2 ARG 9 1HD ARG 9 -3.956 0.122 -4.291
81 HD3 ARG 9 2HD ARG 9 -4.015 -0.332 -5.991
82 HE ARG 9 HE ARG 9 -2.951 -2.536 -4.786
83 HH11 ARG 9 1HH2 ARG 9 -5.749 -0.563 -4.258
84 HH12 ARG 9 2HH2 ARG 9 -6.699 -1.851 -3.598
85 HH21 ARG 9 1HH1 ARG 9 -4.190 -4.222 -3.915
86 HH22 ARG 9 2HH1 ARG 9 -5.817 -3.921 -3.400
87 HA PRO 10 HA PRO 10 1.960 3.488 -3.356
88 HB2 PRO 10 1HB PRO 10 3.075 3.701 -6.125
89 HB3 PRO 10 2HB PRO 10 3.878 3.966 -4.565
90 HG2 PRO 10 1HG PRO 10 4.366 1.785 -6.045
91 HG3 PRO 10 2HG PRO 10 4.340 1.724 -4.271
92 HD2 PRO 10 1HD PRO 10 2.237 0.825 -6.223
93 HD3 PRO 10 2HD PRO 10 2.754 0.075 -4.698
94 H TYR 11 H TYR 11 1.052 5.550 -3.759
95 HA TYR 11 HA TYR 11 -1.441 5.700 -4.980
96 HB2 TYR 11 1HB TYR 11 -0.693 7.376 -3.370
97 HB3 TYR 11 2HB TYR 11 0.561 7.920 -4.485
98 HD1 TYR 11 HD1 TYR 11 -3.077 7.793 -3.857
99 HD2 TYR 11 HD2 TYR 11 0.033 9.279 -6.421
100 HE1 TYR 11 HE1 TYR 11 -4.703 9.318 -4.945
101 HE2 TYR 11 HE2 TYR 11 -1.592 10.803 -7.510
102 HH TYR 11 HH TYR 11 -4.147 11.842 -6.426
103 H ILE 12 H ILE 12 1.737 6.655 -6.274
104 HA ILE 12 HA ILE 12 0.634 7.369 -8.846
105 HB ILE 12 HB ILE 12 3.009 7.632 -9.511
106 HG12 ILE 12 1HG1 ILE 12 3.595 6.756 -6.663
107 HG13 ILE 12 2HG1 ILE 12 3.887 5.763 -8.092
108 HG21 ILE 12 1HG2 ILE 12 3.473 9.509 -8.034
109 HG22 ILE 12 2HG2 ILE 12 2.406 8.843 -6.798
110 HG23 ILE 12 3HG2 ILE 12 1.733 9.431 -8.318
111 HD11 ILE 12 3HD1 ILE 12 5.284 7.738 -8.972
112 HD12 ILE 12 1HD1 ILE 12 5.976 6.802 -7.647
113 HD13 ILE 12 2HD1 ILE 12 5.218 8.362 -7.324
114 H LEU 13 H LEU 13 1.474 4.514 -7.286
115 HA LEU 13 HA LEU 13 1.619 2.335 -7.927
116 HB2 LEU 13 1HB LEU 13 -0.512 2.752 -9.014
117 HB3 LEU 13 2HB LEU 13 0.299 3.405 -10.432
118 HG LEU 13 HG LEU 13 1.317 1.227 -10.897
119 HD11 LEU 13 1HD1 LEU 13 0.080 0.525 -8.239
120 HD12 LEU 13 2HD1 LEU 13 1.707 0.190 -8.832
121 HD13 LEU 13 3HD1 LEU 13 0.342 -0.734 -9.449
122 HD21 LEU 13 3HD2 LEU 13 -0.743 -0.019 -11.433
123 HD22 LEU 13 1HD2 LEU 13 -0.942 1.699 -11.778
124 HD23 LEU 13 2HD2 LEU 13 -1.655 1.007 -10.322
Start of MODEL 11
1 H1 GLU 1 1H GLU 1 -1.428 -8.092 8.118
2 H2 GLU 1 2H GLU 1 -2.524 -6.892 8.615
3 H3 GLU 1 3H GLU 1 -0.897 -6.495 8.333
4 HA GLU 1 HA GLU 1 -1.146 -6.365 6.117
5 HB2 GLU 1 1HB GLU 1 -3.183 -8.584 6.446
6 HB3 GLU 1 2HB GLU 1 -2.766 -7.857 4.894
7 HG2 GLU 1 1HG GLU 1 -0.428 -8.524 5.179
8 HG3 GLU 1 2HG GLU 1 -0.790 -9.190 6.770
9 H LEU 2 H LEU 2 -2.603 -4.982 8.279
10 HA LEU 2 HA LEU 2 -5.230 -4.362 7.198
11 HB2 LEU 2 1HB LEU 2 -3.703 -3.010 9.436
12 HB3 LEU 2 2HB LEU 2 -5.424 -2.849 9.089
13 HG LEU 2 HG LEU 2 -4.026 -5.427 9.867
14 HD11 LEU 2 1HD1 LEU 2 -5.511 -5.124 11.932
15 HD12 LEU 2 2HD1 LEU 2 -5.747 -3.463 11.392
16 HD13 LEU 2 3HD1 LEU 2 -4.129 -4.036 11.800
17 HD21 LEU 2 3HD2 LEU 2 -6.557 -6.067 10.198
18 HD22 LEU 2 1HD2 LEU 2 -5.869 -6.110 8.578
19 HD23 LEU 2 2HD2 LEU 2 -6.858 -4.739 9.077
20 H TYR 3 H TYR 3 -2.703 -2.099 8.231
21 HA TYR 3 HA TYR 3 -3.317 -0.387 5.911
22 HB2 TYR 3 1HB TYR 3 -3.397 0.671 8.121
23 HB3 TYR 3 2HB TYR 3 -1.736 0.168 8.436
24 HD1 TYR 3 HD2 TYR 3 -3.867 2.257 6.214
25 HD2 TYR 3 HD1 TYR 3 0.118 1.390 7.563
26 HE1 TYR 3 HE2 TYR 3 -3.029 4.278 5.047
27 HE2 TYR 3 HE1 TYR 3 0.953 3.409 6.395
28 HH TYR 3 HH TYR 3 -1.071 5.248 4.225
29 H GLU 4 H GLU 4 -1.320 -2.863 6.515
30 HA GLU 4 HA GLU 4 1.169 -1.730 5.529
31 HB2 GLU 4 1HB GLU 4 0.322 -4.541 6.237
32 HB3 GLU 4 2HB GLU 4 1.931 -4.125 5.642
33 HG2 GLU 4 1HG GLU 4 2.251 -2.579 7.508
34 HG3 GLU 4 2HG GLU 4 0.620 -2.909 8.085
35 H ASN 5 H ASN 5 -1.643 -2.434 4.068
36 HA ASN 5 HA ASN 5 -0.469 -3.667 1.656
37 HB2 ASN 5 1HB ASN 5 -3.327 -3.121 2.482
38 HB3 ASN 5 2HB ASN 5 -2.858 -3.782 0.917
39 HD21 ASN 5 2HD2 ASN 5 -2.287 -4.445 4.426
40 HD22 ASN 5 1HD2 ASN 5 -2.321 -6.133 4.252
41 H LYS 6 H LYS 6 -0.665 -0.662 2.879
42 HA LYS 6 HA LYS 6 -1.629 0.662 0.434
43 HB2 LYS 6 1HB LYS 6 -0.629 2.070 2.897
44 HB3 LYS 6 2HB LYS 6 -1.781 2.632 1.687
45 HG2 LYS 6 1HG LYS 6 -2.227 0.401 3.693
46 HG3 LYS 6 2HG LYS 6 -2.994 1.988 3.700
47 HD2 LYS 6 1HD LYS 6 -3.871 1.411 1.362
48 HD3 LYS 6 2HD LYS 6 -3.373 -0.246 1.702
49 HE2 LYS 6 1HE LYS 6 -4.776 -0.223 3.753
50 HE3 LYS 6 2HE LYS 6 -5.315 1.406 3.345
51 HZ1 LYS 6 3HZ LYS 6 -6.404 0.643 1.441
52 HZ2 LYS 6 1HZ LYS 6 -6.787 -0.506 2.628
53 HZ3 LYS 6 2HZ LYS 6 -5.602 -0.856 1.461
54 HA PRO 7 HA PRO 7 2.862 2.096 0.494
55 HB2 PRO 7 1HB PRO 7 4.723 0.877 2.036
56 HB3 PRO 7 2HB PRO 7 3.631 2.115 2.688
57 HG2 PRO 7 1HG PRO 7 3.550 -0.837 3.022
58 HG3 PRO 7 2HG PRO 7 3.054 0.440 4.145
59 HD2 PRO 7 1HD PRO 7 1.337 -1.064 2.448
60 HD3 PRO 7 2HD PRO 7 0.889 0.386 3.369
61 H ARG 8 H ARG 8 1.834 -1.036 0.128
62 HA ARG 8 HA ARG 8 4.187 -1.952 -1.393
63 HB2 ARG 8 1HB ARG 8 1.548 -3.293 -0.746
64 HB3 ARG 8 2HB ARG 8 2.807 -4.012 -1.748
65 HG2 ARG 8 1HG ARG 8 4.409 -3.747 0.163
66 HG3 ARG 8 2HG ARG 8 3.062 -3.194 1.160
67 HD2 ARG 8 1HD ARG 8 3.134 -5.864 -0.266
68 HD3 ARG 8 2HD ARG 8 3.572 -5.638 1.423
69 HE ARG 8 HE ARG 8 1.010 -4.546 1.025
70 HH11 ARG 8 1HH2 ARG 8 2.688 -7.572 0.981
71 HH12 ARG 8 2HH2 ARG 8 1.301 -8.505 1.438
72 HH21 ARG 8 1HH1 ARG 8 -0.812 -5.764 1.619
73 HH22 ARG 8 2HH1 ARG 8 -0.679 -7.481 1.800
74 H ARG 9 H ARG 9 1.096 -0.567 -1.616
75 HA ARG 9 HA ARG 9 1.228 -0.518 -4.577
76 HB2 ARG 9 1HB ARG 9 -1.269 -0.494 -2.852
77 HB3 ARG 9 2HB ARG 9 -1.216 -0.462 -4.613
78 HG2 ARG 9 1HG ARG 9 0.095 -2.718 -3.092
79 HG3 ARG 9 2HG ARG 9 -1.638 -2.745 -3.405
80 HD2 ARG 9 1HD ARG 9 0.552 -2.545 -5.493
81 HD3 ARG 9 2HD ARG 9 -0.463 -3.948 -5.177
82 HE ARG 9 HE ARG 9 -1.224 -1.551 -6.628
83 HH11 ARG 9 1HH2 ARG 9 -2.237 -4.348 -4.860
84 HH12 ARG 9 2HH2 ARG 9 -3.811 -4.405 -5.584
85 HH21 ARG 9 1HH1 ARG 9 -3.286 -1.618 -7.579
86 HH22 ARG 9 2HH1 ARG 9 -4.404 -2.859 -7.122
87 HA PRO 10 HA PRO 10 1.617 3.654 -2.628
88 HB2 PRO 10 1HB PRO 10 3.139 4.253 -5.126
89 HB3 PRO 10 2HB PRO 10 3.608 4.513 -3.436
90 HG2 PRO 10 1HG PRO 10 4.706 2.572 -4.928
91 HG3 PRO 10 2HG PRO 10 4.416 2.370 -3.189
92 HD2 PRO 10 1HD PRO 10 2.832 1.281 -5.506
93 HD3 PRO 10 2HD PRO 10 3.237 0.515 -3.955
94 H TYR 11 H TYR 11 0.398 5.529 -3.128
95 HA TYR 11 HA TYR 11 -1.892 5.495 -4.529
96 HB2 TYR 11 1HB TYR 11 0.005 7.854 -4.432
97 HB3 TYR 11 2HB TYR 11 -1.713 7.945 -4.819
98 HD1 TYR 11 HD1 TYR 11 -3.421 7.352 -3.103
99 HD2 TYR 11 HD2 TYR 11 0.766 7.562 -2.169
100 HE1 TYR 11 HE1 TYR 11 -3.965 7.431 -0.685
101 HE2 TYR 11 HE2 TYR 11 0.223 7.640 0.249
102 HH TYR 11 HH TYR 11 -1.431 7.302 1.772
103 H ILE 12 H ILE 12 1.294 6.015 -5.909
104 HA ILE 12 HA ILE 12 0.154 5.974 -8.649
105 HB ILE 12 HB ILE 12 2.884 6.887 -7.689
106 HG12 ILE 12 1HG1 ILE 12 0.607 8.532 -8.827
107 HG13 ILE 12 2HG1 ILE 12 0.889 8.349 -7.095
108 HG21 ILE 12 1HG2 ILE 12 3.079 6.037 -9.922
109 HG22 ILE 12 2HG2 ILE 12 2.971 7.791 -10.069
110 HG23 ILE 12 3HG2 ILE 12 1.561 6.787 -10.410
111 HD11 ILE 12 3HD1 ILE 12 1.932 10.413 -8.186
112 HD12 ILE 12 1HD1 ILE 12 3.042 9.306 -8.992
113 HD13 ILE 12 2HD1 ILE 12 3.023 9.409 -7.231
114 H LEU 13 H LEU 13 0.346 4.073 -9.678
115 HA LEU 13 HA LEU 13 2.109 2.027 -8.571
116 HB2 LEU 13 1HB LEU 13 0.985 0.621 -10.448
117 HB3 LEU 13 2HB LEU 13 0.042 1.077 -9.035
118 HG LEU 13 HG LEU 13 -1.099 1.388 -11.286
119 HD11 LEU 13 1HD1 LEU 13 -2.433 2.784 -10.151
120 HD12 LEU 13 2HD1 LEU 13 -1.304 4.117 -10.372
121 HD13 LEU 13 3HD1 LEU 13 -1.159 3.063 -8.969
122 HD21 LEU 13 3HD2 LEU 13 -0.473 3.242 -12.687
123 HD22 LEU 13 1HD2 LEU 13 0.977 2.280 -12.411
124 HD23 LEU 13 2HD2 LEU 13 0.737 3.788 -11.529
Start of MODEL 12
1 H1 GLU 1 1H GLU 1 -0.873 -6.033 8.690
2 H2 GLU 1 2H GLU 1 0.139 -7.329 8.264
3 H3 GLU 1 3H GLU 1 -1.344 -7.625 9.039
4 HA GLU 1 HA GLU 1 -0.857 -6.744 6.263
5 HB2 GLU 1 1HB GLU 1 -2.431 -8.975 7.579
6 HB3 GLU 1 2HB GLU 1 -2.490 -8.621 5.852
7 HG2 GLU 1 1HG GLU 1 -0.087 -9.008 5.652
8 HG3 GLU 1 2HG GLU 1 0.041 -9.266 7.392
9 H LEU 2 H LEU 2 -2.114 -5.219 8.620
10 HA LEU 2 HA LEU 2 -4.912 -5.002 7.856
11 HB2 LEU 2 1HB LEU 2 -3.154 -3.674 9.915
12 HB3 LEU 2 2HB LEU 2 -4.761 -3.038 9.559
13 HG LEU 2 HG LEU 2 -5.739 -5.260 10.051
14 HD11 LEU 2 1HD1 LEU 2 -4.148 -6.873 11.284
15 HD12 LEU 2 2HD1 LEU 2 -2.838 -5.940 10.561
16 HD13 LEU 2 3HD1 LEU 2 -3.992 -6.783 9.531
17 HD21 LEU 2 3HD2 LEU 2 -5.436 -3.507 11.832
18 HD22 LEU 2 1HD2 LEU 2 -3.928 -4.299 12.289
19 HD23 LEU 2 2HD2 LEU 2 -5.461 -5.154 12.463
20 H TYR 3 H TYR 3 -2.904 -2.203 8.518
21 HA TYR 3 HA TYR 3 -3.728 -1.037 5.930
22 HB2 TYR 3 1HB TYR 3 -3.940 -0.031 8.493
23 HB3 TYR 3 2HB TYR 3 -2.449 0.729 7.954
24 HD1 TYR 3 HD2 TYR 3 -3.042 1.006 5.012
25 HD2 TYR 3 HD1 TYR 3 -5.491 1.755 8.463
26 HE1 TYR 3 HE2 TYR 3 -4.363 2.650 3.716
27 HE2 TYR 3 HE1 TYR 3 -6.813 3.402 7.162
28 HH TYR 3 HH TYR 3 -7.309 3.718 4.563
29 H GLU 4 H GLU 4 -1.443 -2.933 6.496
30 HA GLU 4 HA GLU 4 0.897 -1.263 5.871
31 HB2 GLU 4 1HB GLU 4 0.596 -4.194 6.549
32 HB3 GLU 4 2HB GLU 4 2.130 -3.435 6.116
33 HG2 GLU 4 1HG GLU 4 1.911 -1.866 7.979
34 HG3 GLU 4 2HG GLU 4 0.343 -2.552 8.395
35 H ASN 5 H ASN 5 -1.553 -2.548 4.173
36 HA ASN 5 HA ASN 5 0.071 -3.519 1.909
37 HB2 ASN 5 1HB ASN 5 -2.901 -3.602 2.472
38 HB3 ASN 5 2HB ASN 5 -2.168 -4.155 0.968
39 HD21 ASN 5 2HD2 ASN 5 0.261 -5.230 2.382
40 HD22 ASN 5 1HD2 ASN 5 -0.263 -6.647 3.155
41 H LYS 6 H LYS 6 -0.603 -0.630 2.978
42 HA LYS 6 HA LYS 6 -1.894 0.536 0.647
43 HB2 LYS 6 1HB LYS 6 -2.417 1.478 2.806
44 HB3 LYS 6 2HB LYS 6 -0.719 1.797 3.135
45 HG2 LYS 6 1HG LYS 6 -1.763 2.970 0.593
46 HG3 LYS 6 2HG LYS 6 -2.439 3.655 2.067
47 HD2 LYS 6 1HD LYS 6 0.547 3.305 1.832
48 HD3 LYS 6 2HD LYS 6 -0.235 4.680 1.056
49 HE2 LYS 6 1HE LYS 6 -1.156 5.423 3.175
50 HE3 LYS 6 2HE LYS 6 -0.565 3.974 3.986
51 HZ1 LYS 6 3HZ LYS 6 1.693 4.846 2.949
52 HZ2 LYS 6 1HZ LYS 6 1.137 5.358 4.467
53 HZ3 LYS 6 2HZ LYS 6 0.893 6.338 3.102
54 HA PRO 7 HA PRO 7 2.478 2.110 -0.149
55 HB2 PRO 7 1HB PRO 7 4.621 1.027 1.086
56 HB3 PRO 7 2HB PRO 7 3.599 2.234 1.895
57 HG2 PRO 7 1HG PRO 7 3.720 -0.709 2.297
58 HG3 PRO 7 2HG PRO 7 3.364 0.575 3.464
59 HD2 PRO 7 1HD PRO 7 1.454 -1.048 2.104
60 HD3 PRO 7 2HD PRO 7 1.103 0.391 3.083
61 H ARG 8 H ARG 8 1.335 -0.889 -0.334
62 HA ARG 8 HA ARG 8 3.420 -2.070 -2.035
63 HB2 ARG 8 1HB ARG 8 1.982 -3.409 -0.355
64 HB3 ARG 8 2HB ARG 8 0.657 -3.179 -1.499
65 HG2 ARG 8 1HG ARG 8 1.977 -4.242 -3.275
66 HG3 ARG 8 2HG ARG 8 3.334 -4.442 -2.165
67 HD2 ARG 8 1HD ARG 8 2.110 -6.536 -2.275
68 HD3 ARG 8 2HD ARG 8 1.863 -5.818 -0.686
69 HE ARG 8 HE ARG 8 -0.203 -4.982 -2.444
70 HH11 ARG 8 1HH2 ARG 8 1.001 -7.735 -0.724
71 HH12 ARG 8 2HH2 ARG 8 -0.553 -8.484 -0.562
72 HH21 ARG 8 1HH1 ARG 8 -2.242 -5.960 -2.235
73 HH22 ARG 8 2HH1 ARG 8 -2.388 -7.480 -1.416
74 H ARG 9 H ARG 9 0.365 -0.515 -1.987
75 HA ARG 9 HA ARG 9 0.258 -0.434 -4.946
76 HB2 ARG 9 1HB ARG 9 -1.593 -1.757 -3.813
77 HB3 ARG 9 2HB ARG 9 -2.116 -0.234 -3.089
78 HG2 ARG 9 1HG ARG 9 -2.220 0.737 -5.419
79 HG3 ARG 9 2HG ARG 9 -1.938 -0.890 -6.041
80 HD2 ARG 9 1HD ARG 9 -3.947 -1.647 -4.707
81 HD3 ARG 9 2HD ARG 9 -4.275 0.049 -4.361
82 HE ARG 9 HE ARG 9 -3.979 -0.322 -7.159
83 HH11 ARG 9 1HH2 ARG 9 -6.096 -0.982 -4.502
84 HH12 ARG 9 2HH2 ARG 9 -7.533 -0.988 -5.470
85 HH21 ARG 9 1HH1 ARG 9 -5.858 -0.329 -8.435
86 HH22 ARG 9 2HH1 ARG 9 -7.398 -0.618 -7.696
87 HA PRO 10 HA PRO 10 0.638 3.756 -2.902
88 HB2 PRO 10 1HB PRO 10 2.762 4.712 -4.341
89 HB3 PRO 10 2HB PRO 10 2.958 3.716 -2.883
90 HG2 PRO 10 1HG PRO 10 3.080 2.897 -5.756
91 HG3 PRO 10 2HG PRO 10 4.146 2.442 -4.412
92 HD2 PRO 10 1HD PRO 10 2.154 0.806 -5.303
93 HD3 PRO 10 2HD PRO 10 2.662 0.848 -3.597
94 H TYR 11 H TYR 11 0.267 5.913 -3.932
95 HA TYR 11 HA TYR 11 -1.655 5.857 -5.950
96 HB2 TYR 11 1HB TYR 11 0.211 8.125 -5.204
97 HB3 TYR 11 2HB TYR 11 -1.262 8.291 -6.158
98 HD1 TYR 11 HD2 TYR 11 -3.486 7.691 -5.124
99 HD2 TYR 11 HD1 TYR 11 0.131 7.972 -2.824
100 HE1 TYR 11 HE2 TYR 11 -4.823 7.855 -3.044
101 HE2 TYR 11 HE1 TYR 11 -1.207 8.135 -0.742
102 HH TYR 11 HH TYR 11 -3.416 7.561 0.072
103 H ILE 12 H ILE 12 1.833 6.463 -6.144
104 HA ILE 12 HA ILE 12 1.891 6.877 -8.964
105 HB ILE 12 HB ILE 12 4.074 6.078 -7.026
106 HG12 ILE 12 1HG1 ILE 12 3.493 8.757 -8.323
107 HG13 ILE 12 2HG1 ILE 12 2.909 8.317 -6.717
108 HG21 ILE 12 1HG2 ILE 12 5.538 7.018 -8.910
109 HG22 ILE 12 2HG2 ILE 12 4.119 6.872 -9.945
110 HG23 ILE 12 3HG2 ILE 12 4.819 5.434 -9.199
111 HD11 ILE 12 3HD1 ILE 12 5.833 8.164 -7.478
112 HD12 ILE 12 1HD1 ILE 12 5.130 8.102 -5.862
113 HD13 ILE 12 2HD1 ILE 12 5.109 9.611 -6.776
114 H LEU 13 H LEU 13 1.760 4.098 -6.937
115 HA LEU 13 HA LEU 13 1.737 1.846 -7.349
116 HB2 LEU 13 1HB LEU 13 1.137 2.801 -10.154
117 HB3 LEU 13 2HB LEU 13 1.059 1.123 -9.641
118 HG LEU 13 HG LEU 13 -0.514 3.334 -8.293
119 HD11 LEU 13 1HD1 LEU 13 -1.413 1.417 -10.465
120 HD12 LEU 13 2HD1 LEU 13 -1.154 3.149 -10.675
121 HD13 LEU 13 3HD1 LEU 13 -2.442 2.572 -9.617
122 HD21 LEU 13 3HD2 LEU 13 -0.470 1.481 -6.826
123 HD22 LEU 13 1HD2 LEU 13 -0.485 0.312 -8.146
124 HD23 LEU 13 2HD2 LEU 13 -1.948 1.206 -7.740
Start of MODEL 13
1 H1 GLU 1 1H GLU 1 -0.369 -5.106 8.033
2 H2 GLU 1 2H GLU 1 0.877 -5.848 7.150
3 H3 GLU 1 3H GLU 1 0.672 -6.207 8.796
4 HA GLU 1 HA GLU 1 -0.524 -7.431 6.546
5 HB2 GLU 1 1HB GLU 1 -0.634 -7.895 9.541
6 HB3 GLU 1 2HB GLU 1 -1.282 -9.017 8.344
7 HG2 GLU 1 1HG GLU 1 0.928 -9.287 7.344
8 HG3 GLU 1 2HG GLU 1 1.602 -8.090 8.450
9 H LEU 2 H LEU 2 -1.681 -5.234 8.990
10 HA LEU 2 HA LEU 2 -4.486 -5.844 8.517
11 HB2 LEU 2 1HB LEU 2 -3.808 -5.213 10.763
12 HB3 LEU 2 2HB LEU 2 -3.114 -3.707 10.168
13 HG LEU 2 HG LEU 2 -5.336 -2.915 9.486
14 HD11 LEU 2 1HD1 LEU 2 -6.532 -4.858 8.855
15 HD12 LEU 2 2HD1 LEU 2 -7.320 -4.351 10.345
16 HD13 LEU 2 3HD1 LEU 2 -6.164 -5.682 10.369
17 HD21 LEU 2 3HD2 LEU 2 -4.559 -2.524 11.808
18 HD22 LEU 2 1HD2 LEU 2 -5.346 -4.018 12.313
19 HD23 LEU 2 2HD2 LEU 2 -6.315 -2.669 11.723
20 H TYR 3 H TYR 3 -3.068 -2.615 8.656
21 HA TYR 3 HA TYR 3 -4.472 -1.917 6.142
22 HB2 TYR 3 1HB TYR 3 -4.950 -0.648 8.307
23 HB3 TYR 3 2HB TYR 3 -3.316 -0.002 8.177
24 HD1 TYR 3 HD2 TYR 3 -6.596 -0.247 6.433
25 HD2 TYR 3 HD1 TYR 3 -2.789 1.736 6.632
26 HE1 TYR 3 HE2 TYR 3 -7.394 1.449 4.810
27 HE2 TYR 3 HE1 TYR 3 -3.587 3.432 5.008
28 HH TYR 3 HH TYR 3 -5.466 3.410 3.099
29 H GLU 4 H GLU 4 -1.793 -3.260 6.559
30 HA GLU 4 HA GLU 4 0.144 -1.314 5.611
31 HB2 GLU 4 1HB GLU 4 0.278 -4.291 6.126
32 HB3 GLU 4 2HB GLU 4 1.645 -3.338 5.547
33 HG2 GLU 4 1HG GLU 4 1.519 -1.906 7.528
34 HG3 GLU 4 2HG GLU 4 0.102 -2.789 8.095
35 H ASN 5 H ASN 5 -2.246 -1.909 4.004
36 HA ASN 5 HA ASN 5 -1.114 -3.222 1.613
37 HB2 ASN 5 1HB ASN 5 -3.930 -2.458 2.402
38 HB3 ASN 5 2HB ASN 5 -3.499 -3.037 0.793
39 HD21 ASN 5 2HD2 ASN 5 -1.597 -5.036 1.467
40 HD22 ASN 5 1HD2 ASN 5 -2.385 -6.267 2.329
41 H LYS 6 H LYS 6 -0.866 -0.299 2.828
42 HA LYS 6 HA LYS 6 -1.782 1.254 0.525
43 HB2 LYS 6 1HB LYS 6 -2.009 1.985 2.971
44 HB3 LYS 6 2HB LYS 6 -0.285 2.342 2.906
45 HG2 LYS 6 1HG LYS 6 -0.665 3.837 0.975
46 HG3 LYS 6 2HG LYS 6 -2.389 3.466 1.035
47 HD2 LYS 6 1HD LYS 6 -2.665 4.547 3.129
48 HD3 LYS 6 2HD LYS 6 -0.928 4.597 3.423
49 HE2 LYS 6 1HE LYS 6 -2.239 6.046 1.113
50 HE3 LYS 6 2HE LYS 6 -1.958 6.800 2.684
51 HZ1 LYS 6 3HZ LYS 6 0.397 5.523 1.919
52 HZ2 LYS 6 1HZ LYS 6 0.122 7.190 2.068
53 HZ3 LYS 6 2HZ LYS 6 -0.140 6.416 0.577
54 HA PRO 7 HA PRO 7 2.880 1.833 0.091
55 HB2 PRO 7 1HB PRO 7 4.634 0.246 1.401
56 HB3 PRO 7 2HB PRO 7 3.853 1.629 2.195
57 HG2 PRO 7 1HG PRO 7 3.281 -1.273 2.470
58 HG3 PRO 7 2HG PRO 7 3.140 0.024 3.668
59 HD2 PRO 7 1HD PRO 7 1.014 -1.085 2.133
60 HD3 PRO 7 2HD PRO 7 0.931 0.378 3.136
61 H ARG 8 H ARG 8 1.160 -0.882 -0.349
62 HA ARG 8 HA ARG 8 3.124 -2.319 -2.010
63 HB2 ARG 8 1HB ARG 8 0.244 -2.958 -1.307
64 HB3 ARG 8 2HB ARG 8 1.270 -3.942 -2.351
65 HG2 ARG 8 1HG ARG 8 2.859 -4.288 -0.523
66 HG3 ARG 8 2HG ARG 8 1.906 -3.248 0.533
67 HD2 ARG 8 1HD ARG 8 1.390 -5.587 1.010
68 HD3 ARG 8 2HD ARG 8 -0.016 -4.805 0.296
69 HE ARG 8 HE ARG 8 0.272 -6.105 -1.635
70 HH11 ARG 8 1HH2 ARG 8 2.902 -6.471 0.587
71 HH12 ARG 8 2HH2 ARG 8 3.564 -7.857 -0.211
72 HH21 ARG 8 1HH1 ARG 8 1.134 -7.912 -2.688
73 HH22 ARG 8 2HH1 ARG 8 2.567 -8.671 -2.075
74 H ARG 9 H ARG 9 0.468 -0.184 -2.028
75 HA ARG 9 HA ARG 9 0.494 -0.048 -4.990
76 HB2 ARG 9 1HB ARG 9 -1.813 0.242 -3.053
77 HB3 ARG 9 2HB ARG 9 -1.888 0.802 -4.724
78 HG2 ARG 9 1HG ARG 9 -1.555 -1.416 -5.573
79 HG3 ARG 9 2HG ARG 9 -1.161 -2.040 -3.969
80 HD2 ARG 9 1HD ARG 9 -3.414 -1.701 -3.200
81 HD3 ARG 9 2HD ARG 9 -3.827 -0.780 -4.643
82 HE ARG 9 HE ARG 9 -4.211 -2.782 -5.732
83 HH11 ARG 9 1HH2 ARG 9 -2.285 -3.294 -2.901
84 HH12 ARG 9 2HH2 ARG 9 -2.308 -5.020 -3.033
85 HH21 ARG 9 1HH1 ARG 9 -4.240 -5.034 -5.913
86 HH22 ARG 9 2HH1 ARG 9 -3.403 -6.009 -4.751
87 HA PRO 10 HA PRO 10 2.122 3.792 -2.943
88 HB2 PRO 10 1HB PRO 10 3.224 4.061 -5.731
89 HB3 PRO 10 2HB PRO 10 4.021 4.361 -4.171
90 HG2 PRO 10 1HG PRO 10 4.540 2.161 -5.566
91 HG3 PRO 10 2HG PRO 10 4.418 2.108 -3.798
92 HD2 PRO 10 1HD PRO 10 2.437 1.182 -5.858
93 HD3 PRO 10 2HD PRO 10 2.820 0.489 -4.267
94 H TYR 11 H TYR 11 2.308 6.092 -4.491
95 HA TYR 11 HA TYR 11 -0.371 6.934 -4.706
96 HB2 TYR 11 1HB TYR 11 1.430 8.536 -4.359
97 HB3 TYR 11 2HB TYR 11 2.139 8.119 -5.920
98 HD1 TYR 11 HD1 TYR 11 -0.705 9.746 -4.221
99 HD2 TYR 11 HD2 TYR 11 1.158 8.907 -8.000
100 HE1 TYR 11 HE1 TYR 11 -2.180 11.413 -5.317
101 HE2 TYR 11 HE2 TYR 11 -0.310 10.579 -9.096
102 HH TYR 11 HH TYR 11 -1.959 12.898 -7.510
103 H ILE 12 H ILE 12 2.003 6.087 -7.220
104 HA ILE 12 HA ILE 12 -0.191 5.921 -9.201
105 HB ILE 12 HB ILE 12 1.678 7.426 -9.788
106 HG12 ILE 12 1HG1 ILE 12 1.746 4.917 -11.481
107 HG13 ILE 12 2HG1 ILE 12 0.375 6.026 -11.477
108 HG21 ILE 12 1HG2 ILE 12 3.910 6.667 -10.012
109 HG22 ILE 12 2HG2 ILE 12 3.430 4.971 -9.970
110 HG23 ILE 12 3HG2 ILE 12 3.371 5.939 -8.498
111 HD11 ILE 12 3HD1 ILE 12 1.891 6.572 -13.324
112 HD12 ILE 12 1HD1 ILE 12 3.236 6.738 -12.193
113 HD13 ILE 12 2HD1 ILE 12 1.890 7.877 -12.138
114 H LEU 13 H LEU 13 2.720 4.200 -8.082
115 HA LEU 13 HA LEU 13 1.599 1.668 -7.982
116 HB2 LEU 13 1HB LEU 13 2.151 2.525 -10.710
117 HB3 LEU 13 2HB LEU 13 3.150 1.135 -10.317
118 HG LEU 13 HG LEU 13 0.181 1.134 -9.718
119 HD11 LEU 13 1HD1 LEU 13 0.032 -0.190 -11.911
120 HD12 LEU 13 2HD1 LEU 13 1.591 0.527 -12.319
121 HD13 LEU 13 3HD1 LEU 13 0.187 1.560 -12.050
122 HD21 LEU 13 3HD2 LEU 13 2.113 -1.113 -10.362
123 HD22 LEU 13 1HD2 LEU 13 0.477 -1.264 -9.723
124 HD23 LEU 13 2HD2 LEU 13 1.755 -0.577 -8.719
Start of MODEL 14
1 H1 GLU 1 1H GLU 1 -2.394 -9.806 8.589
2 H2 GLU 1 2H GLU 1 -1.267 -9.853 7.322
3 H3 GLU 1 3H GLU 1 -2.766 -9.085 7.103
4 HA GLU 1 HA GLU 1 -0.879 -8.177 9.178
5 HB2 GLU 1 1HB GLU 1 -0.039 -6.515 7.559
6 HB3 GLU 1 2HB GLU 1 0.352 -8.156 7.044
7 HG2 GLU 1 1HG GLU 1 -1.631 -8.138 5.547
8 HG3 GLU 1 2HG GLU 1 -1.969 -6.481 6.039
9 H LEU 2 H LEU 2 -1.182 -5.531 8.753
10 HA LEU 2 HA LEU 2 -4.029 -5.088 9.368
11 HB2 LEU 2 1HB LEU 2 -1.671 -3.204 9.664
12 HB3 LEU 2 2HB LEU 2 -3.299 -2.945 10.272
13 HG LEU 2 HG LEU 2 -1.949 -3.686 12.118
14 HD11 LEU 2 1HD1 LEU 2 -3.422 -6.189 11.321
15 HD12 LEU 2 2HD1 LEU 2 -4.296 -4.704 11.700
16 HD13 LEU 2 3HD1 LEU 2 -3.263 -5.454 12.917
17 HD21 LEU 2 3HD2 LEU 2 -0.405 -5.396 12.084
18 HD22 LEU 2 1HD2 LEU 2 -0.326 -4.945 10.382
19 HD23 LEU 2 2HD2 LEU 2 -1.284 -6.340 10.884
20 H TYR 3 H TYR 3 -3.399 -2.157 8.677
21 HA TYR 3 HA TYR 3 -4.264 -2.353 5.876
22 HB2 TYR 3 1HB TYR 3 -5.543 -0.935 7.478
23 HB3 TYR 3 2HB TYR 3 -4.115 0.082 7.674
24 HD1 TYR 3 HD2 TYR 3 -6.429 -1.306 5.088
25 HD2 TYR 3 HD1 TYR 3 -3.694 1.841 6.135
26 HE1 TYR 3 HE2 TYR 3 -7.045 -0.084 3.022
27 HE2 TYR 3 HE1 TYR 3 -4.310 3.063 4.064
28 HH TYR 3 HH TYR 3 -6.836 2.775 2.441
29 H GLU 4 H GLU 4 -1.494 -2.900 6.689
30 HA GLU 4 HA GLU 4 0.055 -0.620 5.767
31 HB2 GLU 4 1HB GLU 4 0.781 -3.410 6.659
32 HB3 GLU 4 2HB GLU 4 1.975 -2.262 6.052
33 HG2 GLU 4 1HG GLU 4 0.072 -1.646 8.318
34 HG3 GLU 4 2HG GLU 4 1.701 -2.274 8.566
35 H ASN 5 H ASN 5 -1.886 -1.841 3.983
36 HA ASN 5 HA ASN 5 -0.179 -2.979 1.856
37 HB2 ASN 5 1HB ASN 5 -2.321 -4.152 2.483
38 HB3 ASN 5 2HB ASN 5 -3.195 -2.720 1.942
39 HD21 ASN 5 2HD2 ASN 5 -1.424 -5.555 0.851
40 HD22 ASN 5 1HD2 ASN 5 -1.689 -5.306 -0.807
41 H LYS 6 H LYS 6 -0.588 -0.116 2.949
42 HA LYS 6 HA LYS 6 -1.699 1.290 0.662
43 HB2 LYS 6 1HB LYS 6 -1.832 2.019 3.130
44 HB3 LYS 6 2HB LYS 6 -0.169 2.565 2.923
45 HG2 LYS 6 1HG LYS 6 -0.888 3.941 0.979
46 HG3 LYS 6 2HG LYS 6 -2.556 3.451 1.278
47 HD2 LYS 6 1HD LYS 6 -2.473 4.463 3.516
48 HD3 LYS 6 2HD LYS 6 -0.785 4.912 3.262
49 HE2 LYS 6 1HE LYS 6 -2.265 6.829 2.818
50 HE3 LYS 6 2HE LYS 6 -1.451 6.319 1.341
51 HZ1 LYS 6 3HZ LYS 6 -3.979 6.743 1.305
52 HZ2 LYS 6 1HZ LYS 6 -4.089 5.210 2.028
53 HZ3 LYS 6 2HZ LYS 6 -3.360 5.380 0.503
54 HA PRO 7 HA PRO 7 2.847 2.286 -0.107
55 HB2 PRO 7 1HB PRO 7 4.828 0.937 1.145
56 HB3 PRO 7 2HB PRO 7 3.963 2.266 1.943
57 HG2 PRO 7 1HG PRO 7 3.711 -0.667 2.355
58 HG3 PRO 7 2HG PRO 7 3.495 0.658 3.511
59 HD2 PRO 7 1HD PRO 7 1.426 -0.733 2.118
60 HD3 PRO 7 2HD PRO 7 1.235 0.732 3.100
61 H ARG 8 H ARG 8 1.333 -0.533 -0.369
62 HA ARG 8 HA ARG 8 3.300 -1.864 -2.131
63 HB2 ARG 8 1HB ARG 8 0.578 -2.772 -1.146
64 HB3 ARG 8 2HB ARG 8 1.663 -3.717 -2.155
65 HG2 ARG 8 1HG ARG 8 2.546 -2.662 0.536
66 HG3 ARG 8 2HG ARG 8 1.691 -4.197 0.388
67 HD2 ARG 8 1HD ARG 8 3.449 -4.926 -1.269
68 HD3 ARG 8 2HD ARG 8 4.334 -3.455 -0.894
69 HE ARG 8 HE ARG 8 3.650 -5.153 1.382
70 HH11 ARG 8 1HH2 ARG 8 5.968 -4.167 -0.998
71 HH12 ARG 8 2HH2 ARG 8 7.329 -4.791 -0.128
72 HH21 ARG 8 1HH1 ARG 8 5.431 -5.956 2.529
73 HH22 ARG 8 2HH1 ARG 8 7.026 -5.785 1.880
74 H ARG 9 H ARG 9 0.412 -0.065 -1.923
75 HA ARG 9 HA ARG 9 0.085 -0.096 -4.868
76 HB2 ARG 9 1HB ARG 9 -2.112 0.347 -2.833
77 HB3 ARG 9 2HB ARG 9 -2.286 0.164 -4.578
78 HG2 ARG 9 1HG ARG 9 -1.497 -2.142 -4.458
79 HG3 ARG 9 2HG ARG 9 -1.187 -1.975 -2.729
80 HD2 ARG 9 1HD ARG 9 -3.325 -3.102 -3.059
81 HD3 ARG 9 2HD ARG 9 -3.602 -1.507 -2.368
82 HE ARG 9 HE ARG 9 -3.720 -1.364 -5.200
83 HH11 ARG 9 1HH2 ARG 9 -5.422 -2.559 -2.435
84 HH12 ARG 9 2HH2 ARG 9 -6.985 -2.421 -3.164
85 HH21 ARG 9 1HH1 ARG 9 -5.768 -1.179 -6.164
86 HH22 ARG 9 2HH1 ARG 9 -7.184 -1.629 -5.271
87 HA PRO 10 HA PRO 10 0.987 4.116 -3.057
88 HB2 PRO 10 1HB PRO 10 3.084 4.801 -4.685
89 HB3 PRO 10 2HB PRO 10 3.288 3.868 -3.186
90 HG2 PRO 10 1HG PRO 10 3.154 2.899 -6.013
91 HG3 PRO 10 2HG PRO 10 4.248 2.403 -4.706
92 HD2 PRO 10 1HD PRO 10 2.052 0.942 -5.414
93 HD3 PRO 10 2HD PRO 10 2.675 0.988 -3.747
94 H TYR 11 H TYR 11 0.400 6.160 -4.009
95 HA TYR 11 HA TYR 11 -1.565 6.308 -5.857
96 HB2 TYR 11 1HB TYR 11 -0.777 8.261 -4.587
97 HB3 TYR 11 2HB TYR 11 0.667 8.341 -5.598
98 HD1 TYR 11 HD1 TYR 11 -3.060 8.446 -5.708
99 HD2 TYR 11 HD2 TYR 11 0.613 9.444 -7.697
100 HE1 TYR 11 HE1 TYR 11 -4.330 9.757 -7.388
101 HE2 TYR 11 HE2 TYR 11 -0.656 10.755 -9.380
102 HH TYR 11 HH TYR 11 -2.699 11.743 -9.780
103 H ILE 12 H ILE 12 1.887 6.174 -6.550
104 HA ILE 12 HA ILE 12 1.272 5.776 -9.425
105 HB ILE 12 HB ILE 12 2.644 7.805 -8.950
106 HG12 ILE 12 1HG1 ILE 12 4.508 7.210 -10.525
107 HG13 ILE 12 2HG1 ILE 12 4.042 5.517 -10.378
108 HG21 ILE 12 1HG2 ILE 12 3.803 6.472 -6.936
109 HG22 ILE 12 2HG2 ILE 12 4.646 7.764 -7.787
110 HG23 ILE 12 3HG2 ILE 12 4.981 6.082 -8.191
111 HD11 ILE 12 3HD1 ILE 12 1.918 7.500 -11.137
112 HD12 ILE 12 1HD1 ILE 12 2.092 5.804 -11.599
113 HD13 ILE 12 2HD1 ILE 12 3.103 7.031 -12.354
114 H LEU 13 H LEU 13 1.091 3.591 -9.528
115 HA LEU 13 HA LEU 13 2.240 1.668 -7.974
116 HB2 LEU 13 1HB LEU 13 1.891 1.370 -10.960
117 HB3 LEU 13 2HB LEU 13 1.884 0.091 -9.744
118 HG LEU 13 HG LEU 13 -0.136 2.345 -9.945
119 HD11 LEU 13 1HD1 LEU 13 -0.564 -0.619 -10.376
120 HD12 LEU 13 2HD1 LEU 13 -0.201 0.491 -11.697
121 HD13 LEU 13 3HD1 LEU 13 -1.672 0.703 -10.749
122 HD21 LEU 13 3HD2 LEU 13 -0.061 1.812 -7.653
123 HD22 LEU 13 1HD2 LEU 13 0.308 0.115 -7.957
124 HD23 LEU 13 2HD2 LEU 13 -1.318 0.731 -8.245
Start of MODEL 15
1 H1 GLU 1 1H GLU 1 -3.182 -9.356 7.934
2 H2 GLU 1 2H GLU 1 -2.347 -9.641 9.387
3 H3 GLU 1 3H GLU 1 -1.763 -10.285 7.927
4 HA GLU 1 HA GLU 1 -0.510 -8.314 8.690
5 HB2 GLU 1 1HB GLU 1 -2.064 -8.152 6.093
6 HB3 GLU 1 2HB GLU 1 -0.681 -7.124 6.471
7 HG2 GLU 1 1HG GLU 1 0.747 -9.102 6.727
8 HG3 GLU 1 2HG GLU 1 -0.633 -10.154 6.417
9 H LEU 2 H LEU 2 -0.608 -5.864 8.438
10 HA LEU 2 HA LEU 2 -2.985 -4.884 9.851
11 HB2 LEU 2 1HB LEU 2 -0.217 -3.789 9.346
12 HB3 LEU 2 2HB LEU 2 -1.493 -2.774 9.994
13 HG LEU 2 HG LEU 2 0.014 -3.848 11.719
14 HD11 LEU 2 1HD1 LEU 2 -2.492 -3.122 12.030
15 HD12 LEU 2 2HD1 LEU 2 -1.696 -4.074 13.278
16 HD13 LEU 2 3HD1 LEU 2 -2.791 -4.857 12.144
17 HD21 LEU 2 3HD2 LEU 2 -0.151 -6.177 12.178
18 HD22 LEU 2 1HD2 LEU 2 0.099 -6.053 10.438
19 HD23 LEU 2 2HD2 LEU 2 -1.514 -6.379 11.076
20 H TYR 3 H TYR 3 -2.826 -2.183 9.045
21 HA TYR 3 HA TYR 3 -4.198 -2.331 6.484
22 HB2 TYR 3 1HB TYR 3 -5.095 -0.943 8.327
23 HB3 TYR 3 2HB TYR 3 -3.628 0.032 8.292
24 HD1 TYR 3 HD2 TYR 3 -6.371 -1.194 6.057
25 HD2 TYR 3 HD1 TYR 3 -3.540 1.927 6.896
26 HE1 TYR 3 HE2 TYR 3 -7.360 0.187 4.251
27 HE2 TYR 3 HE1 TYR 3 -4.529 3.308 5.090
28 HH TYR 3 HH TYR 3 -6.290 3.520 3.699
29 H GLU 4 H GLU 4 -1.363 -2.916 6.595
30 HA GLU 4 HA GLU 4 0.012 -0.630 5.443
31 HB2 GLU 4 1HB GLU 4 0.812 -3.464 6.090
32 HB3 GLU 4 2HB GLU 4 1.888 -2.354 5.235
33 HG2 GLU 4 1HG GLU 4 0.582 -1.706 7.884
34 HG3 GLU 4 2HG GLU 4 2.191 -2.410 7.748
35 H ASN 5 H ASN 5 -2.268 -1.571 3.974
36 HA ASN 5 HA ASN 5 -1.066 -2.847 1.598
37 HB2 ASN 5 1HB ASN 5 -3.242 -3.710 2.517
38 HB3 ASN 5 2HB ASN 5 -3.969 -2.157 2.110
39 HD21 ASN 5 2HD2 ASN 5 -5.376 -3.347 0.553
40 HD22 ASN 5 1HD2 ASN 5 -4.749 -3.812 -0.955
41 H LYS 6 H LYS 6 -1.102 0.106 2.806
42 HA LYS 6 HA LYS 6 -2.135 1.555 0.491
43 HB2 LYS 6 1HB LYS 6 -1.682 2.202 3.217
44 HB3 LYS 6 2HB LYS 6 -0.547 3.201 2.318
45 HG2 LYS 6 1HG LYS 6 -3.497 3.027 1.629
46 HG3 LYS 6 2HG LYS 6 -2.820 4.252 2.700
47 HD2 LYS 6 1HD LYS 6 -1.262 4.941 0.882
48 HD3 LYS 6 2HD LYS 6 -2.045 3.786 -0.192
49 HE2 LYS 6 1HE LYS 6 -3.087 5.889 -0.633
50 HE3 LYS 6 2HE LYS 6 -4.239 4.972 0.337
51 HZ1 LYS 6 3HZ LYS 6 -2.375 7.069 1.307
52 HZ2 LYS 6 1HZ LYS 6 -3.345 6.112 2.316
53 HZ3 LYS 6 2HZ LYS 6 -4.069 7.177 1.208
54 HA PRO 7 HA PRO 7 2.452 2.232 -0.291
55 HB2 PRO 7 1HB PRO 7 4.361 1.138 1.283
56 HB3 PRO 7 2HB PRO 7 3.497 2.613 1.762
57 HG2 PRO 7 1HG PRO 7 3.157 -0.178 2.736
58 HG3 PRO 7 2HG PRO 7 2.949 1.351 3.605
59 HD2 PRO 7 1HD PRO 7 0.872 -0.227 2.476
60 HD3 PRO 7 2HD PRO 7 0.707 1.429 3.090
61 H ARG 8 H ARG 8 0.846 -0.476 -0.187
62 HA ARG 8 HA ARG 8 2.841 -2.318 -1.311
63 HB2 ARG 8 1HB ARG 8 0.899 -2.996 0.273
64 HB3 ARG 8 2HB ARG 8 -0.149 -2.743 -1.122
65 HG2 ARG 8 1HG ARG 8 0.326 -5.010 -1.345
66 HG3 ARG 8 2HG ARG 8 1.594 -4.313 -2.352
67 HD2 ARG 8 1HD ARG 8 3.192 -4.475 -0.497
68 HD3 ARG 8 2HD ARG 8 1.923 -5.082 0.563
69 HE ARG 8 HE ARG 8 1.933 -6.824 -1.562
70 HH11 ARG 8 1HH2 ARG 8 4.277 -5.606 0.682
71 HH12 ARG 8 2HH2 ARG 8 5.231 -7.052 0.677
72 HH21 ARG 8 1HH1 ARG 8 3.186 -8.725 -1.562
73 HH22 ARG 8 2HH1 ARG 8 4.605 -8.818 -0.573
74 H ARG 9 H ARG 9 0.133 -0.316 -2.032
75 HA ARG 9 HA ARG 9 0.552 -0.647 -4.943
76 HB2 ARG 9 1HB ARG 9 -2.057 -0.031 -3.529
77 HB3 ARG 9 2HB ARG 9 -1.822 -0.233 -5.267
78 HG2 ARG 9 1HG ARG 9 -1.033 -2.559 -4.864
79 HG3 ARG 9 2HG ARG 9 -1.388 -2.356 -3.147
80 HD2 ARG 9 1HD ARG 9 -3.364 -2.219 -5.439
81 HD3 ARG 9 2HD ARG 9 -3.270 -3.473 -4.206
82 HE ARG 9 HE ARG 9 -3.658 -1.284 -2.700
83 HH11 ARG 9 1HH2 ARG 9 -5.154 -2.407 -5.607
84 HH12 ARG 9 2HH2 ARG 9 -6.688 -1.675 -5.269
85 HH21 ARG 9 1HH1 ARG 9 -5.657 -0.312 -2.247
86 HH22 ARG 9 2HH1 ARG 9 -6.969 -0.477 -3.364
87 HA PRO 10 HA PRO 10 1.480 3.644 -3.498
88 HB2 PRO 10 1HB PRO 10 3.254 3.631 -5.900
89 HB3 PRO 10 2HB PRO 10 3.638 4.064 -4.223
90 HG2 PRO 10 1HG PRO 10 4.508 1.781 -5.316
91 HG3 PRO 10 2HG PRO 10 4.041 1.875 -3.609
92 HD2 PRO 10 1HD PRO 10 2.496 0.736 -5.925
93 HD3 PRO 10 2HD PRO 10 2.638 0.133 -4.256
94 H TYR 11 H TYR 11 0.643 5.607 -4.345
95 HA TYR 11 HA TYR 11 -1.427 5.440 -6.231
96 HB2 TYR 11 1HB TYR 11 -1.296 7.285 -4.623
97 HB3 TYR 11 2HB TYR 11 0.179 7.871 -5.393
98 HD1 TYR 11 HD2 TYR 11 -3.410 7.095 -6.067
99 HD2 TYR 11 HD1 TYR 11 0.055 9.342 -7.252
100 HE1 TYR 11 HE2 TYR 11 -4.784 8.354 -7.700
101 HE2 TYR 11 HE1 TYR 11 -1.324 10.606 -8.881
102 HH TYR 11 HH TYR 11 -3.852 11.196 -9.084
103 H ILE 12 H ILE 12 1.915 6.595 -6.579
104 HA ILE 12 HA ILE 12 1.647 7.038 -9.419
105 HB ILE 12 HB ILE 12 4.068 6.958 -7.600
106 HG12 ILE 12 1HG1 ILE 12 2.665 9.310 -8.896
107 HG13 ILE 12 2HG1 ILE 12 2.329 8.774 -7.251
108 HG21 ILE 12 1HG2 ILE 12 4.918 6.510 -9.762
109 HG22 ILE 12 2HG2 ILE 12 5.079 8.255 -9.598
110 HG23 ILE 12 3HG2 ILE 12 3.751 7.576 -10.541
111 HD11 ILE 12 3HD1 ILE 12 5.128 9.442 -8.176
112 HD12 ILE 12 1HD1 ILE 12 4.537 9.288 -6.523
113 HD13 ILE 12 2HD1 ILE 12 4.044 10.661 -7.512
114 H LEU 13 H LEU 13 1.921 4.340 -7.497
115 HA LEU 13 HA LEU 13 2.426 2.140 -7.866
116 HB2 LEU 13 1HB LEU 13 2.023 3.041 -10.720
117 HB3 LEU 13 2HB LEU 13 2.222 1.358 -10.246
118 HG LEU 13 HG LEU 13 0.088 3.169 -9.078
119 HD11 LEU 13 1HD1 LEU 13 -1.489 2.234 -10.639
120 HD12 LEU 13 2HD1 LEU 13 -0.275 1.132 -11.291
121 HD13 LEU 13 3HD1 LEU 13 -0.135 2.868 -11.576
122 HD21 LEU 13 3HD2 LEU 13 0.703 0.214 -8.945
123 HD22 LEU 13 1HD2 LEU 13 -0.952 0.778 -8.729
124 HD23 LEU 13 2HD2 LEU 13 0.310 1.322 -7.632
Start of MODEL 16
1 H1 GLU 1 1H GLU 1 -1.098 -6.958 6.835
2 H2 GLU 1 2H GLU 1 0.192 -7.884 7.439
3 H3 GLU 1 3H GLU 1 0.124 -6.214 7.746
4 HA GLU 1 HA GLU 1 -1.555 -8.366 8.878
5 HB2 GLU 1 1HB GLU 1 0.144 -6.127 10.018
6 HB3 GLU 1 2HB GLU 1 -0.896 -7.166 10.994
7 HG2 GLU 1 1HG GLU 1 0.335 -9.146 10.261
8 HG3 GLU 1 2HG GLU 1 1.331 -8.159 9.194
9 H LEU 2 H LEU 2 -1.229 -4.856 9.388
10 HA LEU 2 HA LEU 2 -4.114 -4.603 9.703
11 HB2 LEU 2 1HB LEU 2 -1.973 -2.463 9.785
12 HB3 LEU 2 2HB LEU 2 -3.633 -2.317 10.362
13 HG LEU 2 HG LEU 2 -1.564 -4.249 11.459
14 HD11 LEU 2 1HD1 LEU 2 -1.183 -1.801 11.948
15 HD12 LEU 2 2HD1 LEU 2 -1.461 -2.789 13.382
16 HD13 LEU 2 3HD1 LEU 2 -2.757 -1.776 12.747
17 HD21 LEU 2 3HD2 LEU 2 -3.407 -4.313 13.332
18 HD22 LEU 2 1HD2 LEU 2 -3.647 -5.268 11.871
19 HD23 LEU 2 2HD2 LEU 2 -4.479 -3.725 12.060
20 H TYR 3 H TYR 3 -3.902 -1.775 8.674
21 HA TYR 3 HA TYR 3 -4.662 -2.378 5.926
22 HB2 TYR 3 1HB TYR 3 -6.019 -0.824 7.284
23 HB3 TYR 3 2HB TYR 3 -4.629 0.249 7.437
24 HD1 TYR 3 HD2 TYR 3 -6.780 -1.436 4.879
25 HD2 TYR 3 HD1 TYR 3 -4.217 1.889 5.791
26 HE1 TYR 3 HE2 TYR 3 -7.353 -0.398 2.702
27 HE2 TYR 3 HE1 TYR 3 -4.790 2.927 3.612
28 HH TYR 3 HH TYR 3 -7.276 1.559 1.523
29 H GLU 4 H GLU 4 -1.821 -2.489 6.989
30 HA GLU 4 HA GLU 4 -0.456 -0.359 5.555
31 HB2 GLU 4 1HB GLU 4 0.536 -2.773 7.084
32 HB3 GLU 4 2HB GLU 4 1.597 -1.594 6.309
33 HG2 GLU 4 1HG GLU 4 0.636 0.204 7.662
34 HG3 GLU 4 2HG GLU 4 -0.492 -0.932 8.401
35 H ASN 5 H ASN 5 -2.158 -2.144 4.012
36 HA ASN 5 HA ASN 5 -0.224 -3.688 2.401
37 HB2 ASN 5 1HB ASN 5 -3.245 -3.668 2.514
38 HB3 ASN 5 2HB ASN 5 -2.327 -4.552 1.296
39 HD21 ASN 5 2HD2 ASN 5 -3.998 -5.903 3.208
40 HD22 ASN 5 1HD2 ASN 5 -2.995 -6.810 4.231
41 H LYS 6 H LYS 6 -1.059 -0.614 2.516
42 HA LYS 6 HA LYS 6 -1.837 -0.182 -0.249
43 HB2 LYS 6 1HB LYS 6 -2.530 1.223 1.850
44 HB3 LYS 6 2HB LYS 6 -0.979 2.024 1.612
45 HG2 LYS 6 1HG LYS 6 -1.675 2.363 -0.821
46 HG3 LYS 6 2HG LYS 6 -3.293 1.861 -0.328
47 HD2 LYS 6 1HD LYS 6 -3.324 3.666 1.371
48 HD3 LYS 6 2HD LYS 6 -1.726 4.184 0.832
49 HE2 LYS 6 1HE LYS 6 -4.096 3.995 -1.038
50 HE3 LYS 6 2HE LYS 6 -3.686 5.472 -0.164
51 HZ1 LYS 6 3HZ LYS 6 -1.319 4.765 -1.210
52 HZ2 LYS 6 1HZ LYS 6 -2.391 5.868 -1.926
53 HZ3 LYS 6 2HZ LYS 6 -2.381 4.245 -2.429
54 HA PRO 7 HA PRO 7 2.720 1.581 -0.125
55 HB2 PRO 7 1HB PRO 7 3.987 -0.564 1.521
56 HB3 PRO 7 2HB PRO 7 4.280 1.185 1.543
57 HG2 PRO 7 1HG PRO 7 2.942 -0.025 3.513
58 HG3 PRO 7 2HG PRO 7 2.500 1.599 2.955
59 HD2 PRO 7 1HD PRO 7 1.164 -1.026 2.354
60 HD3 PRO 7 2HD PRO 7 0.431 0.560 2.682
61 H ARG 8 H ARG 8 1.237 -1.281 -0.635
62 HA ARG 8 HA ARG 8 3.324 -2.546 -2.263
63 HB2 ARG 8 1HB ARG 8 0.454 -3.295 -1.645
64 HB3 ARG 8 2HB ARG 8 1.497 -4.215 -2.728
65 HG2 ARG 8 1HG ARG 8 3.100 -4.589 -0.903
66 HG3 ARG 8 2HG ARG 8 2.099 -3.629 0.187
67 HD2 ARG 8 1HD ARG 8 0.247 -5.228 -0.093
68 HD3 ARG 8 2HD ARG 8 1.233 -6.185 -1.195
69 HE ARG 8 HE ARG 8 2.677 -5.924 1.185
70 HH11 ARG 8 1HH2 ARG 8 -0.305 -7.257 0.042
71 HH12 ARG 8 2HH2 ARG 8 -0.345 -8.531 1.215
72 HH21 ARG 8 1HH1 ARG 8 2.631 -7.590 2.727
73 HH22 ARG 8 2HH1 ARG 8 1.318 -8.720 2.736
74 H ARG 9 H ARG 9 0.501 -0.612 -2.346
75 HA ARG 9 HA ARG 9 0.707 -0.304 -5.289
76 HB2 ARG 9 1HB ARG 9 -1.799 0.382 -5.027
77 HB3 ARG 9 2HB ARG 9 -1.390 -1.333 -5.040
78 HG2 ARG 9 1HG ARG 9 -1.437 -1.406 -2.601
79 HG3 ARG 9 2HG ARG 9 -1.739 0.330 -2.531
80 HD2 ARG 9 1HD ARG 9 -3.565 -1.741 -3.779
81 HD3 ARG 9 2HD ARG 9 -3.839 -0.910 -2.250
82 HE ARG 9 HE ARG 9 -3.538 1.105 -4.106
83 HH11 ARG 9 1HH2 ARG 9 -5.543 -1.687 -3.714
84 HH12 ARG 9 2HH2 ARG 9 -6.900 -1.000 -4.543
85 HH21 ARG 9 1HH1 ARG 9 -5.313 2.012 -5.195
86 HH22 ARG 9 2HH1 ARG 9 -6.769 1.095 -5.382
87 HA PRO 10 HA PRO 10 1.642 3.574 -2.950
88 HB2 PRO 10 1HB PRO 10 3.367 4.153 -5.312
89 HB3 PRO 10 2HB PRO 10 3.786 4.159 -3.588
90 HG2 PRO 10 1HG PRO 10 4.634 2.229 -5.255
91 HG3 PRO 10 2HG PRO 10 4.241 1.902 -3.557
92 HD2 PRO 10 1HD PRO 10 2.605 1.326 -6.016
93 HD3 PRO 10 2HD PRO 10 2.827 0.345 -4.550
94 H TYR 11 H TYR 11 0.770 5.669 -3.330
95 HA TYR 11 HA TYR 11 -1.417 6.071 -4.880
96 HB2 TYR 11 1HB TYR 11 -0.609 7.743 -3.275
97 HB3 TYR 11 2HB TYR 11 0.736 8.136 -4.348
98 HD1 TYR 11 HD1 TYR 11 -2.952 8.237 -3.968
99 HD2 TYR 11 HD2 TYR 11 0.426 9.504 -6.299
100 HE1 TYR 11 HE1 TYR 11 -4.400 9.833 -5.199
101 HE2 TYR 11 HE2 TYR 11 -1.022 11.099 -7.530
102 HH TYR 11 HH TYR 11 -4.469 11.463 -6.705
103 H ILE 12 H ILE 12 1.935 6.389 -5.900
104 HA ILE 12 HA ILE 12 1.069 6.715 -8.718
105 HB ILE 12 HB ILE 12 2.547 8.515 -7.804
106 HG12 ILE 12 1HG1 ILE 12 4.263 8.365 -9.628
107 HG13 ILE 12 2HG1 ILE 12 3.756 6.705 -9.923
108 HG21 ILE 12 1HG2 ILE 12 3.772 6.796 -6.285
109 HG22 ILE 12 2HG2 ILE 12 4.723 8.085 -7.022
110 HG23 ILE 12 3HG2 ILE 12 4.756 6.463 -7.710
111 HD11 ILE 12 3HD1 ILE 12 1.646 8.839 -9.931
112 HD12 ILE 12 1HD1 ILE 12 1.736 7.344 -10.860
113 HD13 ILE 12 2HD1 ILE 12 2.727 8.726 -11.317
114 H LEU 13 H LEU 13 1.205 4.906 -9.897
115 HA LEU 13 HA LEU 13 2.493 2.564 -8.840
116 HB2 LEU 13 1HB LEU 13 1.848 1.718 -11.268
117 HB3 LEU 13 2HB LEU 13 0.615 1.951 -10.032
118 HG LEU 13 HG LEU 13 1.311 4.321 -11.749
119 HD11 LEU 13 1HD1 LEU 13 -0.228 3.598 -13.514
120 HD12 LEU 13 2HD1 LEU 13 -0.474 2.057 -12.695
121 HD13 LEU 13 3HD1 LEU 13 1.106 2.454 -13.370
122 HD21 LEU 13 3HD2 LEU 13 -0.900 4.982 -11.275
123 HD22 LEU 13 1HD2 LEU 13 -0.421 4.165 -9.790
124 HD23 LEU 13 2HD2 LEU 13 -1.434 3.331 -10.963
Start of MODEL 17
1 H1 GLU 1 1H GLU 1 0.475 -7.891 9.313
2 H2 GLU 1 2H GLU 1 -0.198 -6.571 8.482
3 H3 GLU 1 3H GLU 1 -0.957 -8.089 8.428
4 HA GLU 1 HA GLU 1 -1.386 -7.969 10.817
5 HB2 GLU 1 1HB GLU 1 -0.127 -5.237 10.449
6 HB3 GLU 1 2HB GLU 1 -1.058 -5.702 11.872
7 HG2 GLU 1 1HG GLU 1 0.503 -7.531 12.332
8 HG3 GLU 1 2HG GLU 1 1.412 -7.147 10.872
9 H LEU 2 H LEU 2 -1.754 -4.635 9.825
10 HA LEU 2 HA LEU 2 -4.651 -5.073 9.445
11 HB2 LEU 2 1HB LEU 2 -3.121 -2.482 9.791
12 HB3 LEU 2 2HB LEU 2 -4.871 -2.684 9.815
13 HG LEU 2 HG LEU 2 -2.947 -3.955 11.786
14 HD11 LEU 2 1HD1 LEU 2 -4.912 -1.680 12.193
15 HD12 LEU 2 2HD1 LEU 2 -3.180 -1.458 11.957
16 HD13 LEU 2 3HD1 LEU 2 -3.773 -2.319 13.378
17 HD21 LEU 2 3HD2 LEU 2 -5.940 -4.055 11.393
18 HD22 LEU 2 1HD2 LEU 2 -5.262 -4.231 13.012
19 HD23 LEU 2 2HD2 LEU 2 -4.823 -5.374 11.746
20 H TYR 3 H TYR 3 -4.560 -2.328 8.088
21 HA TYR 3 HA TYR 3 -4.365 -3.361 5.368
22 HB2 TYR 3 1HB TYR 3 -6.253 -1.884 6.152
23 HB3 TYR 3 2HB TYR 3 -5.086 -0.567 6.282
24 HD1 TYR 3 HD2 TYR 3 -6.478 -3.078 3.892
25 HD2 TYR 3 HD1 TYR 3 -4.465 0.688 4.369
26 HE1 TYR 3 HE2 TYR 3 -6.705 -2.648 1.461
27 HE2 TYR 3 HE1 TYR 3 -4.693 1.117 1.938
28 HH TYR 3 HH TYR 3 -6.229 0.372 0.077
29 H GLU 4 H GLU 4 -1.921 -3.575 6.146
30 HA GLU 4 HA GLU 4 -0.374 -1.137 5.807
31 HB2 GLU 4 1HB GLU 4 1.554 -2.582 6.227
32 HB3 GLU 4 2HB GLU 4 0.304 -2.872 7.437
33 HG2 GLU 4 1HG GLU 4 -0.496 -4.813 6.078
34 HG3 GLU 4 2HG GLU 4 0.862 -4.563 4.983
35 H ASN 5 H ASN 5 -2.043 -2.647 3.633
36 HA ASN 5 HA ASN 5 0.009 -3.205 1.630
37 HB2 ASN 5 1HB ASN 5 -3.015 -3.293 1.544
38 HB3 ASN 5 2HB ASN 5 -1.977 -3.689 0.176
39 HD21 ASN 5 2HD2 ASN 5 0.088 -4.937 2.040
40 HD22 ASN 5 1HD2 ASN 5 -0.584 -6.433 2.474
41 H LYS 6 H LYS 6 -0.203 -0.492 2.687
42 HA LYS 6 HA LYS 6 -1.448 1.089 0.591
43 HB2 LYS 6 1HB LYS 6 -1.291 1.690 3.107
44 HB3 LYS 6 2HB LYS 6 0.361 2.178 2.740
45 HG2 LYS 6 1HG LYS 6 -0.739 4.191 2.363
46 HG3 LYS 6 2HG LYS 6 -0.811 3.499 0.744
47 HD2 LYS 6 1HD LYS 6 -3.078 2.640 1.204
48 HD3 LYS 6 2HD LYS 6 -3.001 3.302 2.837
49 HE2 LYS 6 1HE LYS 6 -4.176 4.950 1.618
50 HE3 LYS 6 2HE LYS 6 -2.527 5.571 1.674
51 HZ1 LYS 6 3HZ LYS 6 -3.287 5.747 -0.549
52 HZ2 LYS 6 1HZ LYS 6 -3.840 4.145 -0.569
53 HZ3 LYS 6 2HZ LYS 6 -2.172 4.465 -0.512
54 HA PRO 7 HA PRO 7 3.068 1.891 -0.521
55 HB2 PRO 7 1HB PRO 7 5.070 0.396 0.499
56 HB3 PRO 7 2HB PRO 7 4.328 1.711 1.434
57 HG2 PRO 7 1HG PRO 7 3.969 -1.228 1.699
58 HG3 PRO 7 2HG PRO 7 3.922 0.031 2.945
59 HD2 PRO 7 1HD PRO 7 1.671 -1.171 1.666
60 HD3 PRO 7 2HD PRO 7 1.642 0.250 2.733
61 H ARG 8 H ARG 8 1.478 -0.946 -0.693
62 HA ARG 8 HA ARG 8 3.224 -2.280 -2.645
63 HB2 ARG 8 1HB ARG 8 0.519 -2.987 -1.476
64 HB3 ARG 8 2HB ARG 8 1.339 -3.947 -2.705
65 HG2 ARG 8 1HG ARG 8 3.267 -4.251 -1.195
66 HG3 ARG 8 2HG ARG 8 2.459 -3.280 0.035
67 HD2 ARG 8 1HD ARG 8 0.612 -4.906 0.121
68 HD3 ARG 8 2HD ARG 8 1.399 -5.876 -1.120
69 HE ARG 8 HE ARG 8 3.104 -5.416 1.150
70 HH11 ARG 8 1HH2 ARG 8 0.484 -7.289 -0.118
71 HH12 ARG 8 2HH2 ARG 8 0.804 -8.668 0.880
72 HH21 ARG 8 1HH1 ARG 8 3.536 -7.226 2.455
73 HH22 ARG 8 2HH1 ARG 8 2.532 -8.633 2.336
74 H ARG 9 H ARG 9 0.458 -0.312 -2.262
75 HA ARG 9 HA ARG 9 0.047 -0.140 -5.195
76 HB2 ARG 9 1HB ARG 9 -1.897 -0.279 -2.911
77 HB3 ARG 9 2HB ARG 9 -2.320 0.724 -4.294
78 HG2 ARG 9 1HG ARG 9 -3.219 -1.541 -4.576
79 HG3 ARG 9 2HG ARG 9 -2.000 -1.203 -5.800
80 HD2 ARG 9 1HD ARG 9 -0.923 -2.438 -3.326
81 HD3 ARG 9 2HD ARG 9 -2.026 -3.463 -4.242
82 HE ARG 9 HE ARG 9 0.075 -2.145 -5.785
83 HH11 ARG 9 1HH2 ARG 9 -1.041 -4.958 -4.094
84 HH12 ARG 9 2HH2 ARG 9 0.031 -6.042 -4.917
85 HH21 ARG 9 1HH1 ARG 9 1.485 -3.562 -6.853
86 HH22 ARG 9 2HH1 ARG 9 1.461 -5.252 -6.477
87 HA PRO 10 HA PRO 10 1.353 3.847 -3.103
88 HB2 PRO 10 1HB PRO 10 3.388 4.525 -4.828
89 HB3 PRO 10 2HB PRO 10 3.625 3.492 -3.404
90 HG2 PRO 10 1HG PRO 10 3.263 2.707 -6.266
91 HG3 PRO 10 2HG PRO 10 4.391 2.067 -5.057
92 HD2 PRO 10 1HD PRO 10 2.079 0.784 -5.712
93 HD3 PRO 10 2HD PRO 10 2.778 0.705 -4.076
94 H TYR 11 H TYR 11 0.532 5.872 -3.759
95 HA TYR 11 HA TYR 11 -1.336 6.064 -5.758
96 HB2 TYR 11 1HB TYR 11 -1.169 8.467 -5.601
97 HB3 TYR 11 2HB TYR 11 -0.936 7.789 -3.992
98 HD1 TYR 11 HD1 TYR 11 1.341 7.682 -2.988
99 HD2 TYR 11 HD2 TYR 11 0.606 9.605 -6.759
100 HE1 TYR 11 HE1 TYR 11 3.527 8.843 -2.823
101 HE2 TYR 11 HE2 TYR 11 2.791 10.764 -6.593
102 HH TYR 11 HH TYR 11 4.982 10.172 -3.845
103 H ILE 12 H ILE 12 2.138 6.332 -6.024
104 HA ILE 12 HA ILE 12 2.258 7.374 -8.669
105 HB ILE 12 HB ILE 12 4.247 5.566 -7.265
106 HG12 ILE 12 1HG1 ILE 12 4.199 8.595 -7.374
107 HG13 ILE 12 2HG1 ILE 12 3.580 7.666 -6.010
108 HG21 ILE 12 1HG2 ILE 12 5.829 6.894 -8.788
109 HG22 ILE 12 2HG2 ILE 12 4.386 7.417 -9.654
110 HG23 ILE 12 3HG2 ILE 12 4.798 5.705 -9.582
111 HD11 ILE 12 3HD1 ILE 12 5.916 8.372 -5.617
112 HD12 ILE 12 1HD1 ILE 12 6.413 7.524 -7.081
113 HD13 ILE 12 2HD1 ILE 12 5.785 6.614 -5.707
114 H LEU 13 H LEU 13 2.228 4.114 -7.305
115 HA LEU 13 HA LEU 13 1.820 2.060 -8.194
116 HB2 LEU 13 1HB LEU 13 -0.331 2.942 -8.765
117 HB3 LEU 13 2HB LEU 13 0.311 3.751 -10.194
118 HG LEU 13 HG LEU 13 0.808 1.589 -11.233
119 HD11 LEU 13 1HD1 LEU 13 -0.060 0.534 -8.538
120 HD12 LEU 13 2HD1 LEU 13 1.401 0.154 -9.452
121 HD13 LEU 13 3HD1 LEU 13 -0.156 -0.477 -9.981
122 HD21 LEU 13 3HD2 LEU 13 -1.467 2.545 -11.478
123 HD22 LEU 13 1HD2 LEU 13 -1.987 1.641 -10.055
124 HD23 LEU 13 2HD2 LEU 13 -1.494 0.783 -11.514
Start of MODEL 18
1 H1 GLU 1 1H GLU 1 -0.214 -6.448 8.769
2 H2 GLU 1 2H GLU 1 0.199 -8.058 8.413
3 H3 GLU 1 3H GLU 1 -1.333 -7.692 9.047
4 HA GLU 1 HA GLU 1 -0.435 -6.550 6.479
5 HB2 GLU 1 1HB GLU 1 -1.570 -8.439 5.355
6 HB3 GLU 1 2HB GLU 1 -0.194 -8.994 6.305
7 HG2 GLU 1 1HG GLU 1 -1.731 -9.575 8.164
8 HG3 GLU 1 2HG GLU 1 -3.100 -9.074 7.171
9 H LEU 2 H LEU 2 -1.935 -5.417 8.648
10 HA LEU 2 HA LEU 2 -4.752 -5.648 7.957
11 HB2 LEU 2 1HB LEU 2 -4.644 -3.489 9.645
12 HB3 LEU 2 2HB LEU 2 -4.756 -5.155 10.198
13 HG LEU 2 HG LEU 2 -2.040 -3.966 9.648
14 HD11 LEU 2 1HD1 LEU 2 -3.726 -3.544 12.129
15 HD12 LEU 2 2HD1 LEU 2 -3.021 -2.306 11.089
16 HD13 LEU 2 3HD1 LEU 2 -1.978 -3.318 12.087
17 HD21 LEU 2 3HD2 LEU 2 -1.264 -5.682 11.053
18 HD22 LEU 2 1HD2 LEU 2 -2.626 -6.467 10.260
19 HD23 LEU 2 2HD2 LEU 2 -2.807 -5.835 11.894
20 H TYR 3 H TYR 3 -3.109 -2.586 8.533
21 HA TYR 3 HA TYR 3 -4.207 -1.557 5.983
22 HB2 TYR 3 1HB TYR 3 -4.899 -0.418 8.091
23 HB3 TYR 3 2HB TYR 3 -3.206 -0.016 8.391
24 HD1 TYR 3 HD1 TYR 3 -5.969 0.378 5.912
25 HD2 TYR 3 HD2 TYR 3 -2.198 1.858 7.343
26 HE1 TYR 3 HE1 TYR 3 -6.175 2.349 4.420
27 HE2 TYR 3 HE2 TYR 3 -2.406 3.826 5.849
28 HH TYR 3 HH TYR 3 -4.642 5.074 4.754
29 H GLU 4 H GLU 4 -1.543 -3.027 6.748
30 HA GLU 4 HA GLU 4 0.457 -1.061 5.982
31 HB2 GLU 4 1HB GLU 4 0.602 -4.025 6.559
32 HB3 GLU 4 2HB GLU 4 1.999 -3.045 6.110
33 HG2 GLU 4 1HG GLU 4 1.640 -1.593 8.040
34 HG3 GLU 4 2HG GLU 4 0.185 -2.487 8.472
35 H ASN 5 H ASN 5 -1.816 -2.113 4.182
36 HA ASN 5 HA ASN 5 -0.225 -3.159 1.926
37 HB2 ASN 5 1HB ASN 5 -2.365 -3.701 0.911
38 HB3 ASN 5 2HB ASN 5 -2.329 -4.332 2.556
39 HD21 ASN 5 2HD2 ASN 5 -4.845 -3.969 1.527
40 HD22 ASN 5 1HD2 ASN 5 -5.579 -2.588 2.187
41 H LYS 6 H LYS 6 -0.503 -0.288 3.082
42 HA LYS 6 HA LYS 6 -1.659 1.166 0.852
43 HB2 LYS 6 1HB LYS 6 -1.197 1.700 3.575
44 HB3 LYS 6 2HB LYS 6 -0.095 2.784 2.739
45 HG2 LYS 6 1HG LYS 6 -3.052 2.551 2.085
46 HG3 LYS 6 2HG LYS 6 -2.377 3.758 3.175
47 HD2 LYS 6 1HD LYS 6 -1.149 4.811 1.445
48 HD3 LYS 6 2HD LYS 6 -1.329 3.433 0.362
49 HE2 LYS 6 1HE LYS 6 -2.829 5.336 -0.246
50 HE3 LYS 6 2HE LYS 6 -3.716 3.861 0.137
51 HZ1 LYS 6 3HZ LYS 6 -3.312 5.274 2.513
52 HZ2 LYS 6 1HZ LYS 6 -4.777 4.956 1.721
53 HZ3 LYS 6 2HZ LYS 6 -3.909 6.372 1.362
54 HA PRO 7 HA PRO 7 2.889 2.163 0.034
55 HB2 PRO 7 1HB PRO 7 4.879 0.793 1.259
56 HB3 PRO 7 2HB PRO 7 4.040 2.141 2.053
57 HG2 PRO 7 1HG PRO 7 3.755 -0.782 2.500
58 HG3 PRO 7 2HG PRO 7 3.581 0.557 3.645
59 HD2 PRO 7 1HD PRO 7 1.467 -0.818 2.329
60 HD3 PRO 7 2HD PRO 7 1.314 0.686 3.264
61 H ARG 8 H ARG 8 1.353 -0.619 -0.320
62 HA ARG 8 HA ARG 8 3.322 -1.840 -2.179
63 HB2 ARG 8 1HB ARG 8 0.875 -2.981 -0.812
64 HB3 ARG 8 2HB ARG 8 1.711 -3.792 -2.136
65 HG2 ARG 8 1HG ARG 8 3.806 -3.784 -0.828
66 HG3 ARG 8 2HG ARG 8 2.972 -2.975 0.501
67 HD2 ARG 8 1HD ARG 8 1.450 -4.886 0.738
68 HD3 ARG 8 2HD ARG 8 2.222 -5.685 -0.627
69 HE ARG 8 HE ARG 8 4.059 -6.196 0.742
70 HH11 ARG 8 1HH2 ARG 8 1.809 -4.086 2.315
71 HH12 ARG 8 2HH2 ARG 8 2.517 -4.280 3.884
72 HH21 ARG 8 1HH1 ARG 8 4.989 -6.451 2.790
73 HH22 ARG 8 2HH1 ARG 8 4.318 -5.619 4.153
74 H ARG 9 H ARG 9 0.471 -0.097 -1.769
75 HA ARG 9 HA ARG 9 -0.188 -0.298 -4.651
76 HB2 ARG 9 1HB ARG 9 -1.903 -1.278 -3.005
77 HB3 ARG 9 2HB ARG 9 -2.176 0.384 -2.481
78 HG2 ARG 9 1HG ARG 9 -2.762 1.038 -4.770
79 HG3 ARG 9 2HG ARG 9 -2.427 -0.597 -5.341
80 HD2 ARG 9 1HD ARG 9 -4.874 -0.104 -4.920
81 HD3 ARG 9 2HD ARG 9 -4.243 -1.506 -4.061
82 HE ARG 9 HE ARG 9 -4.623 -0.380 -2.067
83 HH11 ARG 9 1HH2 ARG 9 -4.617 1.806 -4.748
84 HH12 ARG 9 2HH2 ARG 9 -5.132 3.172 -3.816
85 HH21 ARG 9 1HH1 ARG 9 -5.296 1.407 -0.834
86 HH22 ARG 9 2HH1 ARG 9 -5.518 2.945 -1.600
87 HA PRO 10 HA PRO 10 0.936 4.001 -2.951
88 HB2 PRO 10 1HB PRO 10 3.075 4.458 -4.656
89 HB3 PRO 10 2HB PRO 10 3.235 3.742 -3.037
90 HG2 PRO 10 1HG PRO 10 3.085 2.375 -5.696
91 HG3 PRO 10 2HG PRO 10 4.178 2.063 -4.332
92 HD2 PRO 10 1HD PRO 10 2.025 0.503 -4.753
93 HD3 PRO 10 2HD PRO 10 2.536 0.941 -3.101
94 H TYR 11 H TYR 11 0.303 5.938 -4.006
95 HA TYR 11 HA TYR 11 -1.524 5.864 -6.055
96 HB2 TYR 11 1HB TYR 11 0.386 8.057 -5.232
97 HB3 TYR 11 2HB TYR 11 -0.852 8.299 -6.462
98 HD1 TYR 11 HD1 TYR 11 -0.313 7.314 -2.908
99 HD2 TYR 11 HD2 TYR 11 -3.131 8.639 -5.868
100 HE1 TYR 11 HE1 TYR 11 -2.008 7.677 -1.134
101 HE2 TYR 11 HE2 TYR 11 -4.825 9.003 -4.093
102 HH TYR 11 HH TYR 11 -4.875 7.718 -1.314
103 H ILE 12 H ILE 12 1.986 6.327 -6.311
104 HA ILE 12 HA ILE 12 1.868 6.274 -9.242
105 HB ILE 12 HB ILE 12 4.315 6.331 -7.463
106 HG12 ILE 12 1HG1 ILE 12 2.933 8.221 -6.826
107 HG13 ILE 12 2HG1 ILE 12 4.244 8.816 -7.843
108 HG21 ILE 12 1HG2 ILE 12 4.645 5.759 -9.860
109 HG22 ILE 12 2HG2 ILE 12 5.377 7.307 -9.441
110 HG23 ILE 12 3HG2 ILE 12 3.843 7.264 -10.310
111 HD11 ILE 12 3HD1 ILE 12 1.335 8.445 -8.552
112 HD12 ILE 12 1HD1 ILE 12 2.568 8.522 -9.811
113 HD13 ILE 12 2HD1 ILE 12 2.334 9.886 -8.721
114 H LEU 13 H LEU 13 0.810 4.032 -8.705
115 HA LEU 13 HA LEU 13 2.020 1.821 -7.766
116 HB2 LEU 13 1HB LEU 13 0.869 0.521 -9.604
117 HB3 LEU 13 2HB LEU 13 -0.152 1.582 -8.643
118 HG LEU 13 HG LEU 13 0.373 3.349 -10.555
119 HD11 LEU 13 1HD1 LEU 13 0.949 0.691 -11.893
120 HD12 LEU 13 2HD1 LEU 13 1.971 2.126 -11.859
121 HD13 LEU 13 3HD1 LEU 13 0.476 2.135 -12.784
122 HD21 LEU 13 3HD2 LEU 13 -1.600 2.466 -11.836
123 HD22 LEU 13 1HD2 LEU 13 -1.866 2.547 -10.094
124 HD23 LEU 13 2HD2 LEU 13 -1.517 0.998 -10.862
Start of MODEL 19
1 H1 GLU 1 1H GLU 1 -0.641 -8.131 8.163
2 H2 GLU 1 2H GLU 1 -1.262 -6.566 7.943
3 H3 GLU 1 3H GLU 1 -1.564 -7.775 6.787
4 HA GLU 1 HA GLU 1 -3.063 -8.895 8.127
5 HB2 GLU 1 1HB GLU 1 -1.849 -7.278 10.385
6 HB3 GLU 1 2HB GLU 1 -3.277 -8.297 10.568
7 HG2 GLU 1 1HG GLU 1 -2.005 -10.265 9.882
8 HG3 GLU 1 2HG GLU 1 -0.580 -9.272 9.583
9 H LEU 2 H LEU 2 -2.406 -5.471 8.887
10 HA LEU 2 HA LEU 2 -5.269 -4.837 8.511
11 HB2 LEU 2 1HB LEU 2 -3.028 -3.102 9.585
12 HB3 LEU 2 2HB LEU 2 -4.751 -2.727 9.605
13 HG LEU 2 HG LEU 2 -3.463 -5.079 11.021
14 HD11 LEU 2 1HD1 LEU 2 -4.149 -3.763 13.075
15 HD12 LEU 2 2HD1 LEU 2 -4.470 -2.397 12.006
16 HD13 LEU 2 3HD1 LEU 2 -2.834 -3.045 12.144
17 HD21 LEU 2 3HD2 LEU 2 -5.675 -5.756 10.593
18 HD22 LEU 2 1HD2 LEU 2 -6.306 -4.114 10.708
19 HD23 LEU 2 2HD2 LEU 2 -5.829 -4.982 12.167
20 H TYR 3 H TYR 3 -4.394 -1.997 8.014
21 HA TYR 3 HA TYR 3 -4.266 -2.217 5.114
22 HB2 TYR 3 1HB TYR 3 -5.816 -0.619 6.169
23 HB3 TYR 3 2HB TYR 3 -4.450 0.221 6.901
24 HD1 TYR 3 HD1 TYR 3 -5.700 -0.945 3.563
25 HD2 TYR 3 HD2 TYR 3 -3.445 1.996 5.734
26 HE1 TYR 3 HE1 TYR 3 -5.412 0.372 1.482
27 HE2 TYR 3 HE2 TYR 3 -3.157 3.312 3.653
28 HH TYR 3 HH TYR 3 -4.833 3.283 1.216
29 H GLU 4 H GLU 4 -1.949 -3.178 6.286
30 HA GLU 4 HA GLU 4 0.077 -1.089 6.222
31 HB2 GLU 4 1HB GLU 4 1.604 -2.764 6.940
32 HB3 GLU 4 2HB GLU 4 0.105 -3.085 7.805
33 HG2 GLU 4 1HG GLU 4 1.086 -4.535 5.321
34 HG3 GLU 4 2HG GLU 4 1.016 -5.179 6.956
35 H ASN 5 H ASN 5 -1.633 -2.411 3.879
36 HA ASN 5 HA ASN 5 0.545 -3.082 2.031
37 HB2 ASN 5 1HB ASN 5 -2.467 -3.133 1.737
38 HB3 ASN 5 2HB ASN 5 -1.333 -3.594 0.468
39 HD21 ASN 5 2HD2 ASN 5 0.600 -4.875 2.299
40 HD22 ASN 5 1HD2 ASN 5 -0.129 -6.310 2.834
41 H LYS 6 H LYS 6 0.111 -0.321 3.088
42 HA LYS 6 HA LYS 6 -0.880 1.193 0.817
43 HB2 LYS 6 1HB LYS 6 -1.159 1.867 3.254
44 HB3 LYS 6 2HB LYS 6 0.552 2.289 3.236
45 HG2 LYS 6 1HG LYS 6 -0.023 3.684 1.124
46 HG3 LYS 6 2HG LYS 6 -1.699 3.517 1.647
47 HD2 LYS 6 1HD LYS 6 -1.165 4.537 3.803
48 HD3 LYS 6 2HD LYS 6 0.540 4.629 3.364
49 HE2 LYS 6 1HE LYS 6 -1.649 5.969 1.760
50 HE3 LYS 6 2HE LYS 6 -0.761 6.783 3.048
51 HZ1 LYS 6 3HZ LYS 6 1.240 6.589 1.887
52 HZ2 LYS 6 1HZ LYS 6 0.114 7.047 0.702
53 HZ3 LYS 6 2HZ LYS 6 0.620 5.427 0.811
54 HA PRO 7 HA PRO 7 3.713 2.126 0.290
55 HB2 PRO 7 1HB PRO 7 5.614 0.743 1.596
56 HB3 PRO 7 2HB PRO 7 4.679 2.011 2.417
57 HG2 PRO 7 1HG PRO 7 4.421 -0.950 2.609
58 HG3 PRO 7 2HG PRO 7 4.176 0.287 3.854
59 HD2 PRO 7 1HD PRO 7 2.141 -0.970 2.304
60 HD3 PRO 7 2HD PRO 7 1.935 0.449 3.354
61 H ARG 8 H ARG 8 2.142 -0.549 -0.285
62 HA ARG 8 HA ARG 8 4.206 -1.840 -1.989
63 HB2 ARG 8 1HB ARG 8 1.561 -2.894 -0.949
64 HB3 ARG 8 2HB ARG 8 2.629 -3.759 -2.052
65 HG2 ARG 8 1HG ARG 8 4.415 -3.766 -0.385
66 HG3 ARG 8 2HG ARG 8 3.427 -2.802 0.714
67 HD2 ARG 8 1HD ARG 8 3.294 -5.143 1.376
68 HD3 ARG 8 2HD ARG 8 1.734 -4.629 0.739
69 HE ARG 8 HE ARG 8 2.058 -6.029 -1.113
70 HH11 ARG 8 1HH2 ARG 8 4.899 -5.791 0.852
71 HH12 ARG 8 2HH2 ARG 8 5.703 -7.121 0.090
72 HH21 ARG 8 1HH1 ARG 8 3.109 -7.774 -2.115
73 HH22 ARG 8 2HH1 ARG 8 4.691 -8.244 -1.589
74 H ARG 9 H ARG 9 1.318 -0.076 -1.748
75 HA ARG 9 HA ARG 9 0.910 -0.151 -4.686
76 HB2 ARG 9 1HB ARG 9 -1.246 0.424 -2.648
77 HB3 ARG 9 2HB ARG 9 -1.437 0.061 -4.363
78 HG2 ARG 9 1HG ARG 9 -0.371 -2.209 -3.857
79 HG3 ARG 9 2HG ARG 9 -0.597 -1.821 -2.152
80 HD2 ARG 9 1HD ARG 9 -2.528 -3.070 -2.807
81 HD3 ARG 9 2HD ARG 9 -3.044 -1.389 -2.697
82 HE ARG 9 HE ARG 9 -2.264 -1.773 -5.332
83 HH11 ARG 9 1HH2 ARG 9 -4.545 -3.109 -3.098
84 HH12 ARG 9 2HH2 ARG 9 -5.704 -3.523 -4.317
85 HH21 ARG 9 1HH1 ARG 9 -3.779 -2.314 -6.935
86 HH22 ARG 9 2HH1 ARG 9 -5.271 -3.071 -6.489
87 HA PRO 10 HA PRO 10 2.163 4.032 -3.172
88 HB2 PRO 10 1HB PRO 10 3.258 4.281 -5.938
89 HB3 PRO 10 2HB PRO 10 4.063 4.563 -4.382
90 HG2 PRO 10 1HG PRO 10 4.610 2.413 -5.897
91 HG3 PRO 10 2HG PRO 10 4.634 2.346 -4.124
92 HD2 PRO 10 1HD PRO 10 2.517 1.358 -6.022
93 HD3 PRO 10 2HD PRO 10 3.113 0.629 -4.514
94 H TYR 11 H TYR 11 1.149 6.048 -3.641
95 HA TYR 11 HA TYR 11 -1.357 6.280 -4.539
96 HB2 TYR 11 1HB TYR 11 0.820 8.284 -5.187
97 HB3 TYR 11 2HB TYR 11 -0.911 8.619 -5.173
98 HD1 TYR 11 HD1 TYR 11 -2.208 8.326 -3.015
99 HD2 TYR 11 HD2 TYR 11 2.084 8.268 -3.169
100 HE1 TYR 11 HE1 TYR 11 -2.115 8.743 -0.572
101 HE2 TYR 11 HE2 TYR 11 2.177 8.683 -0.726
102 HH TYR 11 HH TYR 11 -0.690 9.477 1.112
103 H ILE 12 H ILE 12 1.459 6.016 -6.593
104 HA ILE 12 HA ILE 12 -0.287 5.795 -8.987
105 HB ILE 12 HB ILE 12 1.235 7.772 -9.048
106 HG12 ILE 12 1HG1 ILE 12 2.138 5.627 -10.987
107 HG13 ILE 12 2HG1 ILE 12 0.560 6.406 -11.096
108 HG21 ILE 12 1HG2 ILE 12 3.521 5.803 -9.197
109 HG22 ILE 12 2HG2 ILE 12 3.025 6.514 -7.661
110 HG23 ILE 12 3HG2 ILE 12 3.586 7.551 -8.972
111 HD11 ILE 12 3HD1 ILE 12 1.668 8.613 -11.253
112 HD12 ILE 12 1HD1 ILE 12 2.186 7.542 -12.554
113 HD13 ILE 12 2HD1 ILE 12 3.241 7.823 -11.170
114 H LEU 13 H LEU 13 -0.313 3.807 -9.846
115 HA LEU 13 HA LEU 13 1.410 1.761 -8.766
116 HB2 LEU 13 1HB LEU 13 0.131 0.354 -10.568
117 HB3 LEU 13 2HB LEU 13 -0.724 0.934 -9.141
118 HG LEU 13 HG LEU 13 -1.660 2.797 -10.377
119 HD11 LEU 13 1HD1 LEU 13 0.182 1.832 -12.574
120 HD12 LEU 13 2HD1 LEU 13 0.115 3.435 -11.841
121 HD13 LEU 13 3HD1 LEU 13 -1.190 2.891 -12.895
122 HD21 LEU 13 3HD2 LEU 13 -1.876 0.366 -12.167
123 HD22 LEU 13 1HD2 LEU 13 -3.101 1.598 -11.867
124 HD23 LEU 13 2HD2 LEU 13 -2.663 0.463 -10.591
Start of MODEL 20
1 H1 GLU 1 1H GLU 1 0.782 -5.950 7.511
2 H2 GLU 1 2H GLU 1 1.157 -5.522 9.112
3 H3 GLU 1 3H GLU 1 -0.115 -4.744 8.298
4 HA GLU 1 HA GLU 1 -0.512 -7.551 8.287
5 HB2 GLU 1 1HB GLU 1 -0.166 -6.182 10.975
6 HB3 GLU 1 2HB GLU 1 -0.911 -7.764 10.744
7 HG2 GLU 1 1HG GLU 1 1.909 -7.062 9.885
8 HG3 GLU 1 2HG GLU 1 1.507 -7.908 11.378
9 H LEU 2 H LEU 2 -1.306 -4.295 9.376
10 HA LEU 2 HA LEU 2 -4.186 -4.897 9.340
11 HB2 LEU 2 1HB LEU 2 -3.299 -3.577 11.224
12 HB3 LEU 2 2HB LEU 2 -2.699 -2.364 10.099
13 HG LEU 2 HG LEU 2 -5.013 -1.929 9.333
14 HD11 LEU 2 1HD1 LEU 2 -6.258 -3.882 9.614
15 HD12 LEU 2 2HD1 LEU 2 -6.809 -2.943 10.999
16 HD13 LEU 2 3HD1 LEU 2 -5.596 -4.206 11.214
17 HD21 LEU 2 3HD2 LEU 2 -3.942 -0.754 11.325
18 HD22 LEU 2 1HD2 LEU 2 -4.888 -1.828 12.355
19 HD23 LEU 2 2HD2 LEU 2 -5.703 -0.702 11.270
20 H TYR 3 H TYR 3 -2.731 -1.839 8.390
21 HA TYR 3 HA TYR 3 -4.160 -1.985 5.816
22 HB2 TYR 3 1HB TYR 3 -3.988 0.397 5.734
23 HB3 TYR 3 2HB TYR 3 -4.462 -0.007 7.383
24 HD1 TYR 3 HD1 TYR 3 -2.583 -0.218 9.155
25 HD2 TYR 3 HD2 TYR 3 -2.041 1.664 5.331
26 HE1 TYR 3 HE1 TYR 3 -0.575 0.959 10.013
27 HE2 TYR 3 HE2 TYR 3 -0.036 2.832 6.183
28 HH TYR 3 HH TYR 3 1.178 2.230 9.477
29 H GLU 4 H GLU 4 -2.016 -3.652 5.882
30 HA GLU 4 HA GLU 4 0.360 -2.321 4.894
31 HB2 GLU 4 1HB GLU 4 1.248 -4.606 4.678
32 HB3 GLU 4 2HB GLU 4 0.538 -4.347 6.272
33 HG2 GLU 4 1HG GLU 4 -1.549 -5.438 5.517
34 HG3 GLU 4 2HG GLU 4 -0.829 -5.716 3.933
35 H ASN 5 H ASN 5 -2.407 -2.415 3.486
36 HA ASN 5 HA ASN 5 -1.560 -3.504 0.874
37 HB2 ASN 5 1HB ASN 5 -4.249 -2.634 1.950
38 HB3 ASN 5 2HB ASN 5 -3.969 -3.091 0.271
39 HD21 ASN 5 2HD2 ASN 5 -2.602 -5.343 0.204
40 HD22 ASN 5 1HD2 ASN 5 -3.247 -6.557 1.200
41 H LYS 6 H LYS 6 -1.251 -0.662 2.491
42 HA LYS 6 HA LYS 6 -2.026 1.089 0.271
43 HB2 LYS 6 1HB LYS 6 -2.486 1.713 2.658
44 HB3 LYS 6 2HB LYS 6 -0.747 1.881 2.892
45 HG2 LYS 6 1HG LYS 6 -0.660 3.540 1.068
46 HG3 LYS 6 2HG LYS 6 -2.404 3.391 0.854
47 HD2 LYS 6 1HD LYS 6 -2.695 4.083 3.252
48 HD3 LYS 6 2HD LYS 6 -0.958 4.385 3.324
49 HE2 LYS 6 1HE LYS 6 -1.268 5.925 1.318
50 HE3 LYS 6 2HE LYS 6 -3.004 5.784 1.591
51 HZ1 LYS 6 3HZ LYS 6 -2.666 7.514 2.951
52 HZ2 LYS 6 1HZ LYS 6 -1.003 7.217 3.108
53 HZ3 LYS 6 2HZ LYS 6 -2.113 6.344 4.052
54 HA PRO 7 HA PRO 7 2.649 1.623 0.134
55 HB2 PRO 7 1HB PRO 7 4.324 0.030 1.501
56 HB3 PRO 7 2HB PRO 7 3.427 1.325 2.323
57 HG2 PRO 7 1HG PRO 7 2.915 -1.610 2.307
58 HG3 PRO 7 2HG PRO 7 2.693 -0.435 3.615
59 HD2 PRO 7 1HD PRO 7 0.662 -1.401 1.878
60 HD3 PRO 7 2HD PRO 7 0.521 -0.017 2.979
61 H ARG 8 H ARG 8 1.032 -1.195 -0.358
62 HA ARG 8 HA ARG 8 3.074 -2.512 -2.010
63 HB2 ARG 8 1HB ARG 8 0.229 -3.236 -1.270
64 HB3 ARG 8 2HB ARG 8 1.206 -4.170 -2.403
65 HG2 ARG 8 1HG ARG 8 2.909 -4.528 -0.661
66 HG3 ARG 8 2HG ARG 8 1.955 -3.575 0.476
67 HD2 ARG 8 1HD ARG 8 0.100 -5.191 0.273
68 HD3 ARG 8 2HD ARG 8 1.054 -6.145 -0.858
69 HE ARG 8 HE ARG 8 1.415 -5.994 2.029
70 HH11 ARG 8 1HH2 ARG 8 2.719 -6.836 -1.065
71 HH12 ARG 8 2HH2 ARG 8 3.884 -7.946 -0.427
72 HH21 ARG 8 1HH1 ARG 8 2.946 -7.444 2.875
73 HH22 ARG 8 2HH1 ARG 8 4.012 -8.292 1.805
74 H ARG 9 H ARG 9 0.277 -0.554 -2.059
75 HA ARG 9 HA ARG 9 0.395 -0.309 -5.013
76 HB2 ARG 9 1HB ARG 9 -2.023 -0.203 -3.186
77 HB3 ARG 9 2HB ARG 9 -2.044 0.231 -4.896
78 HG2 ARG 9 1HG ARG 9 -1.387 -2.013 -5.538
79 HG3 ARG 9 2HG ARG 9 -1.149 -2.469 -3.850
80 HD2 ARG 9 1HD ARG 9 -3.289 -3.331 -4.468
81 HD3 ARG 9 2HD ARG 9 -3.604 -1.909 -3.478
82 HE ARG 9 HE ARG 9 -3.512 -1.083 -6.160
83 HH11 ARG 9 1HH2 ARG 9 -5.375 -3.096 -4.051
84 HH12 ARG 9 2HH2 ARG 9 -6.856 -2.875 -4.922
85 HH21 ARG 9 1HH1 ARG 9 -5.446 -0.788 -7.307
86 HH22 ARG 9 2HH1 ARG 9 -6.895 -1.568 -6.771
87 HA PRO 10 HA PRO 10 1.276 3.646 -2.781
88 HB2 PRO 10 1HB PRO 10 3.201 4.172 -4.975
89 HB3 PRO 10 2HB PRO 10 3.492 4.108 -3.227
90 HG2 PRO 10 1HG PRO 10 4.384 2.201 -4.924
91 HG3 PRO 10 2HG PRO 10 3.925 1.852 -3.247
92 HD2 PRO 10 1HD PRO 10 2.358 1.368 -5.774
93 HD3 PRO 10 2HD PRO 10 2.522 0.343 -4.329
94 H TYR 11 H TYR 11 0.556 5.787 -3.377
95 HA TYR 11 HA TYR 11 -1.495 6.091 -5.164
96 HB2 TYR 11 1HB TYR 11 -0.849 7.821 -3.525
97 HB3 TYR 11 2HB TYR 11 0.578 8.198 -4.490
98 HD1 TYR 11 HD1 TYR 11 -3.147 7.883 -4.812
99 HD2 TYR 11 HD2 TYR 11 0.423 9.872 -6.133
100 HE1 TYR 11 HE1 TYR 11 -4.513 9.414 -6.207
101 HE2 TYR 11 HE2 TYR 11 -0.941 11.395 -7.531
102 HH TYR 11 HH TYR 11 -4.489 11.068 -7.682
103 H ILE 12 H ILE 12 1.956 6.281 -5.774
104 HA ILE 12 HA ILE 12 1.459 6.482 -8.698
105 HB ILE 12 HB ILE 12 4.033 7.045 -7.193
106 HG12 ILE 12 1HG1 ILE 12 2.407 8.715 -6.539
107 HG13 ILE 12 2HG1 ILE 12 3.508 9.447 -7.702
108 HG21 ILE 12 1HG2 ILE 12 4.794 7.984 -9.292
109 HG22 ILE 12 2HG2 ILE 12 3.203 7.758 -10.020
110 HG23 ILE 12 3HG2 ILE 12 4.192 6.358 -9.609
111 HD11 ILE 12 3HD1 ILE 12 1.406 10.132 -8.490
112 HD12 ILE 12 1HD1 ILE 12 0.647 8.593 -8.091
113 HD13 ILE 12 2HD1 ILE 12 1.726 8.709 -9.479
114 H LEU 13 H LEU 13 1.532 4.507 -9.601
115 HA LEU 13 HA LEU 13 2.594 2.238 -8.313
116 HB2 LEU 13 1HB LEU 13 0.857 1.996 -9.954
117 HB3 LEU 13 2HB LEU 13 1.872 2.705 -11.208
118 HG LEU 13 HG LEU 13 3.418 0.799 -11.068
119 HD11 LEU 13 1HD1 LEU 13 3.372 0.116 -8.804
120 HD12 LEU 13 2HD1 LEU 13 2.555 -1.199 -9.646
121 HD13 LEU 13 3HD1 LEU 13 1.611 0.013 -8.778
122 HD21 LEU 13 3HD2 LEU 13 1.480 0.622 -12.571
123 HD22 LEU 13 1HD2 LEU 13 0.509 -0.042 -11.257
124 HD23 LEU 13 2HD2 LEU 13 1.877 -0.956 -11.891
Start of MODEL 21
1 H1 GLU 1 1H GLU 1 -0.582 -6.346 6.090
2 H2 GLU 1 2H GLU 1 -1.511 -7.211 4.959
3 H3 GLU 1 3H GLU 1 -0.117 -7.913 5.631
4 HA GLU 1 HA GLU 1 -2.168 -8.800 6.614
5 HB2 GLU 1 1HB GLU 1 -0.390 -7.136 8.424
6 HB3 GLU 1 2HB GLU 1 -1.468 -8.416 8.977
7 HG2 GLU 1 1HG GLU 1 0.765 -8.809 6.966
8 HG3 GLU 1 2HG GLU 1 0.890 -9.192 8.681
9 H LEU 2 H LEU 2 -1.620 -5.764 8.346
10 HA LEU 2 HA LEU 2 -4.485 -5.337 8.586
11 HB2 LEU 2 1HB LEU 2 -2.194 -3.618 9.570
12 HB3 LEU 2 2HB LEU 2 -3.881 -3.515 10.075
13 HG LEU 2 HG LEU 2 -2.060 -5.910 10.476
14 HD11 LEU 2 1HD1 LEU 2 -1.518 -3.965 11.917
15 HD12 LEU 2 2HD1 LEU 2 -2.176 -5.305 12.855
16 HD13 LEU 2 3HD1 LEU 2 -3.192 -3.918 12.466
17 HD21 LEU 2 3HD2 LEU 2 -4.988 -5.406 11.014
18 HD22 LEU 2 1HD2 LEU 2 -4.083 -6.504 12.055
19 HD23 LEU 2 2HD2 LEU 2 -4.215 -6.836 10.332
20 H TYR 3 H TYR 3 -3.551 -2.324 8.684
21 HA TYR 3 HA TYR 3 -4.480 -1.734 5.989
22 HB2 TYR 3 1HB TYR 3 -5.355 -0.456 7.901
23 HB3 TYR 3 2HB TYR 3 -3.726 0.105 8.277
24 HD1 TYR 3 HD1 TYR 3 -6.275 0.048 5.540
25 HD2 TYR 3 HD2 TYR 3 -2.870 2.044 7.234
26 HE1 TYR 3 HE1 TYR 3 -6.556 1.904 3.918
27 HE2 TYR 3 HE2 TYR 3 -3.148 3.898 5.608
28 HH TYR 3 HH TYR 3 -4.628 4.839 4.132
29 H GLU 4 H GLU 4 -1.723 -2.874 6.689
30 HA GLU 4 HA GLU 4 0.091 -0.773 5.804
31 HB2 GLU 4 1HB GLU 4 0.488 -3.680 6.522
32 HB3 GLU 4 2HB GLU 4 1.791 -2.632 5.954
33 HG2 GLU 4 1HG GLU 4 0.020 -1.944 8.299
34 HG3 GLU 4 2HG GLU 4 1.562 -2.780 8.476
35 H ASN 5 H ASN 5 -2.030 -1.547 4.030
36 HA ASN 5 HA ASN 5 -0.606 -2.898 1.819
37 HB2 ASN 5 1HB ASN 5 -2.815 -3.056 0.772
38 HB3 ASN 5 2HB ASN 5 -2.864 -3.740 2.397
39 HD21 ASN 5 2HD2 ASN 5 -5.316 -3.169 1.919
40 HD22 ASN 5 1HD2 ASN 5 -5.817 -1.628 2.427
41 H LYS 6 H LYS 6 -0.670 0.031 3.050
42 HA LYS 6 HA LYS 6 -1.378 1.563 0.661
43 HB2 LYS 6 1HB LYS 6 -1.707 2.208 3.209
44 HB3 LYS 6 2HB LYS 6 -0.062 2.813 3.054
45 HG2 LYS 6 1HG LYS 6 -0.857 4.067 0.976
46 HG3 LYS 6 2HG LYS 6 -2.498 3.654 1.472
47 HD2 LYS 6 1HD LYS 6 -1.911 4.669 3.747
48 HD3 LYS 6 2HD LYS 6 -0.476 5.333 2.966
49 HE2 LYS 6 1HE LYS 6 -2.145 7.037 2.826
50 HE3 LYS 6 2HE LYS 6 -2.046 6.323 1.217
51 HZ1 LYS 6 3HZ LYS 6 -4.088 5.816 3.303
52 HZ2 LYS 6 1HZ LYS 6 -3.911 4.833 1.932
53 HZ3 LYS 6 2HZ LYS 6 -4.322 6.472 1.753
54 HA PRO 7 HA PRO 7 3.293 2.206 0.591
55 HB2 PRO 7 1HB PRO 7 4.951 0.820 2.205
56 HB3 PRO 7 2HB PRO 7 4.027 2.211 2.810
57 HG2 PRO 7 1HG PRO 7 3.552 -0.697 3.221
58 HG3 PRO 7 2HG PRO 7 3.234 0.662 4.313
59 HD2 PRO 7 1HD PRO 7 1.333 -0.635 2.629
60 HD3 PRO 7 2HD PRO 7 1.079 0.872 3.533
61 H ARG 8 H ARG 8 1.652 -0.452 0.079
62 HA ARG 8 HA ARG 8 3.805 -1.950 -1.320
63 HB2 ARG 8 1HB ARG 8 1.035 -2.801 -0.430
64 HB3 ARG 8 2HB ARG 8 2.118 -3.792 -1.403
65 HG2 ARG 8 1HG ARG 8 3.811 -3.712 0.397
66 HG3 ARG 8 2HG ARG 8 2.719 -2.730 1.376
67 HD2 ARG 8 1HD ARG 8 1.053 -4.559 1.335
68 HD3 ARG 8 2HD ARG 8 2.164 -5.542 0.385
69 HE ARG 8 HE ARG 8 3.309 -4.607 2.865
70 HH11 ARG 8 1HH2 ARG 8 1.347 -6.995 1.310
71 HH12 ARG 8 2HH2 ARG 8 1.645 -8.217 2.501
72 HH21 ARG 8 1HH1 ARG 8 3.704 -6.204 4.434
73 HH22 ARG 8 2HH1 ARG 8 2.982 -7.768 4.269
74 H ARG 9 H ARG 9 0.965 -0.091 -1.476
75 HA ARG 9 HA ARG 9 0.836 -0.352 -4.426
76 HB2 ARG 9 1HB ARG 9 -1.163 -1.257 -3.058
77 HB3 ARG 9 2HB ARG 9 -1.504 0.431 -2.683
78 HG2 ARG 9 1HG ARG 9 -1.674 0.968 -5.061
79 HG3 ARG 9 2HG ARG 9 -1.219 -0.681 -5.492
80 HD2 ARG 9 1HD ARG 9 -3.577 -0.674 -5.657
81 HD3 ARG 9 2HD ARG 9 -3.256 -1.418 -4.094
82 HE ARG 9 HE ARG 9 -4.136 0.483 -3.041
83 HH11 ARG 9 1HH2 ARG 9 -3.756 0.941 -6.451
84 HH12 ARG 9 2HH2 ARG 9 -4.695 2.396 -6.500
85 HH21 ARG 9 1HH1 ARG 9 -5.363 2.392 -3.097
86 HH22 ARG 9 2HH1 ARG 9 -5.604 3.218 -4.600
87 HA PRO 10 HA PRO 10 2.097 3.885 -3.081
88 HB2 PRO 10 1HB PRO 10 3.342 3.936 -5.795
89 HB3 PRO 10 2HB PRO 10 4.070 4.303 -4.219
90 HG2 PRO 10 1HG PRO 10 4.648 2.047 -5.558
91 HG3 PRO 10 2HG PRO 10 4.572 2.097 -3.786
92 HD2 PRO 10 1HD PRO 10 2.545 1.022 -5.733
93 HD3 PRO 10 2HD PRO 10 3.030 0.391 -4.141
94 H TYR 11 H TYR 11 1.134 5.886 -3.715
95 HA TYR 11 HA TYR 11 -1.320 6.036 -4.807
96 HB2 TYR 11 1HB TYR 11 0.699 8.146 -5.566
97 HB3 TYR 11 2HB TYR 11 -1.005 8.348 -5.157
98 HD1 TYR 11 HD1 TYR 11 -1.677 7.437 -2.735
99 HD2 TYR 11 HD2 TYR 11 2.281 8.626 -3.911
100 HE1 TYR 11 HE1 TYR 11 -1.073 7.790 -0.356
101 HE2 TYR 11 HE2 TYR 11 2.882 8.979 -1.533
102 HH TYR 11 HH TYR 11 2.238 8.660 0.590
103 H ILE 12 H ILE 12 1.696 5.902 -6.600
104 HA ILE 12 HA ILE 12 0.189 5.537 -9.135
105 HB ILE 12 HB ILE 12 3.026 6.533 -8.716
106 HG12 ILE 12 1HG1 ILE 12 0.611 7.983 -9.835
107 HG13 ILE 12 2HG1 ILE 12 1.137 8.128 -8.158
108 HG21 ILE 12 1HG2 ILE 12 1.369 6.079 -11.217
109 HG22 ILE 12 2HG2 ILE 12 2.847 5.229 -10.768
110 HG23 ILE 12 3HG2 ILE 12 2.908 6.939 -11.187
111 HD11 ILE 12 3HD1 ILE 12 2.046 9.963 -9.551
112 HD12 ILE 12 1HD1 ILE 12 2.839 8.773 -10.585
113 HD13 ILE 12 2HD1 ILE 12 3.333 8.948 -8.900
114 H LEU 13 H LEU 13 0.098 3.418 -9.602
115 HA LEU 13 HA LEU 13 1.777 1.494 -8.377
116 HB2 LEU 13 1HB LEU 13 -0.457 0.928 -9.082
117 HB3 LEU 13 2HB LEU 13 -0.058 1.246 -10.768
118 HG LEU 13 HG LEU 13 1.484 -0.782 -9.128
119 HD11 LEU 13 1HD1 LEU 13 -1.018 -1.311 -10.762
120 HD12 LEU 13 2HD1 LEU 13 -0.912 -1.371 -9.002
121 HD13 LEU 13 3HD1 LEU 13 -0.015 -2.533 -9.980
122 HD21 LEU 13 3HD2 LEU 13 2.682 -0.761 -11.072
123 HD22 LEU 13 1HD2 LEU 13 1.406 0.036 -11.986
124 HD23 LEU 13 2HD2 LEU 13 1.359 -1.707 -11.740
Start of MODEL 22
1 H1 GLU 1 1H GLU 1 -0.565 -8.494 7.710
2 H2 GLU 1 2H GLU 1 -1.787 -8.800 6.571
3 H3 GLU 1 3H GLU 1 -2.164 -8.033 8.039
4 HA GLU 1 HA GLU 1 -0.454 -6.270 7.244
5 HB2 GLU 1 1HB GLU 1 -1.379 -7.618 4.685
6 HB3 GLU 1 2HB GLU 1 -0.597 -6.041 4.751
7 HG2 GLU 1 1HG GLU 1 1.203 -7.480 4.318
8 HG3 GLU 1 2HG GLU 1 1.286 -7.284 6.066
9 H LEU 2 H LEU 2 -2.044 -5.176 8.409
10 HA LEU 2 HA LEU 2 -4.743 -4.919 7.326
11 HB2 LEU 2 1HB LEU 2 -3.456 -3.597 9.728
12 HB3 LEU 2 2HB LEU 2 -5.174 -3.593 9.338
13 HG LEU 2 HG LEU 2 -3.523 -6.080 9.887
14 HD11 LEU 2 1HD1 LEU 2 -3.820 -4.747 11.918
15 HD12 LEU 2 2HD1 LEU 2 -4.859 -6.170 11.991
16 HD13 LEU 2 3HD1 LEU 2 -5.548 -4.596 11.593
17 HD21 LEU 2 3HD2 LEU 2 -5.978 -6.992 10.134
18 HD22 LEU 2 1HD2 LEU 2 -5.299 -6.801 8.519
19 HD23 LEU 2 2HD2 LEU 2 -6.414 -5.591 9.157
20 H TYR 3 H TYR 3 -2.620 -2.395 8.622
21 HA TYR 3 HA TYR 3 -3.557 -0.530 6.584
22 HB2 TYR 3 1HB TYR 3 -3.367 0.240 8.905
23 HB3 TYR 3 2HB TYR 3 -1.647 -0.152 8.906
24 HD1 TYR 3 HD2 TYR 3 -4.230 2.136 7.615
25 HD2 TYR 3 HD1 TYR 3 -0.042 1.181 7.636
26 HE1 TYR 3 HE2 TYR 3 -3.719 4.348 6.617
27 HE2 TYR 3 HE1 TYR 3 0.468 3.389 6.636
28 HH TYR 3 HH TYR 3 -1.686 5.920 6.576
29 H GLU 4 H GLU 4 -1.095 -2.779 6.892
30 HA GLU 4 HA GLU 4 0.964 -1.293 5.495
31 HB2 GLU 4 1HB GLU 4 0.721 -4.192 6.314
32 HB3 GLU 4 2HB GLU 4 2.136 -3.506 5.508
33 HG2 GLU 4 1HG GLU 4 0.980 -2.375 8.055
34 HG3 GLU 4 2HG GLU 4 2.273 -3.573 8.042
35 H ASN 5 H ASN 5 -1.799 -1.973 4.365
36 HA ASN 5 HA ASN 5 -0.987 -3.382 1.901
37 HB2 ASN 5 1HB ASN 5 -3.683 -2.599 3.030
38 HB3 ASN 5 2HB ASN 5 -3.460 -3.263 1.412
39 HD21 ASN 5 2HD2 ASN 5 -4.986 -4.626 3.439
40 HD22 ASN 5 1HD2 ASN 5 -4.164 -6.054 3.843
41 H LYS 6 H LYS 6 -0.770 -0.384 3.092
42 HA LYS 6 HA LYS 6 -1.889 1.023 0.755
43 HB2 LYS 6 1HB LYS 6 -2.104 1.787 3.247
44 HB3 LYS 6 2HB LYS 6 -0.470 2.408 3.019
45 HG2 LYS 6 1HG LYS 6 -1.301 3.602 0.956
46 HG3 LYS 6 2HG LYS 6 -2.936 3.133 1.418
47 HD2 LYS 6 1HD LYS 6 -2.640 4.297 3.590
48 HD3 LYS 6 2HD LYS 6 -1.025 4.799 3.083
49 HE2 LYS 6 1HE LYS 6 -1.900 6.120 1.287
50 HE3 LYS 6 2HE LYS 6 -3.515 5.438 1.487
51 HZ1 LYS 6 3HZ LYS 6 -3.310 6.401 3.855
52 HZ2 LYS 6 1HZ LYS 6 -3.685 7.441 2.570
53 HZ3 LYS 6 2HZ LYS 6 -2.100 7.384 3.180
54 HA PRO 7 HA PRO 7 2.685 2.018 0.237
55 HB2 PRO 7 1HB PRO 7 4.592 0.829 1.707
56 HB3 PRO 7 2HB PRO 7 3.590 2.124 2.396
57 HG2 PRO 7 1HG PRO 7 3.418 -0.821 2.814
58 HG3 PRO 7 2HG PRO 7 3.117 0.497 3.959
59 HD2 PRO 7 1HD PRO 7 1.145 -0.920 2.483
60 HD3 PRO 7 2HD PRO 7 0.883 0.580 3.397
61 H ARG 8 H ARG 8 1.274 -0.877 0.013
62 HA ARG 8 HA ARG 8 3.451 -2.252 -1.437
63 HB2 ARG 8 1HB ARG 8 0.667 -3.142 -0.630
64 HB3 ARG 8 2HB ARG 8 1.796 -4.122 -1.566
65 HG2 ARG 8 1HG ARG 8 3.433 -4.004 0.280
66 HG3 ARG 8 2HG ARG 8 2.304 -3.026 1.217
67 HD2 ARG 8 1HD ARG 8 0.655 -4.877 1.133
68 HD3 ARG 8 2HD ARG 8 1.826 -5.861 0.259
69 HE ARG 8 HE ARG 8 1.873 -5.204 3.094
70 HH11 ARG 8 1HH2 ARG 8 3.602 -6.337 0.317
71 HH12 ARG 8 2HH2 ARG 8 4.769 -7.225 1.238
72 HH21 ARG 8 1HH1 ARG 8 3.394 -6.363 4.301
73 HH22 ARG 8 2HH1 ARG 8 4.657 -7.235 3.497
74 H ARG 9 H ARG 9 0.505 -0.537 -1.712
75 HA ARG 9 HA ARG 9 0.602 -0.716 -4.672
76 HB2 ARG 9 1HB ARG 9 -1.384 -1.888 -3.680
77 HB3 ARG 9 2HB ARG 9 -1.883 -0.351 -2.976
78 HG2 ARG 9 1HG ARG 9 -1.885 0.641 -5.277
79 HG3 ARG 9 2HG ARG 9 -1.552 -0.967 -5.925
80 HD2 ARG 9 1HD ARG 9 -3.622 -1.828 -5.007
81 HD3 ARG 9 2HD ARG 9 -3.925 -0.313 -4.164
82 HE ARG 9 HE ARG 9 -3.683 -0.014 -7.032
83 HH11 ARG 9 1HH2 ARG 9 -5.730 -0.780 -4.358
84 HH12 ARG 9 2HH2 ARG 9 -7.190 -0.283 -5.145
85 HH21 ARG 9 1HH1 ARG 9 -5.605 0.626 -8.093
86 HH22 ARG 9 2HH1 ARG 9 -7.119 0.504 -7.263
87 HA PRO 10 HA PRO 10 1.260 3.573 -3.082
88 HB2 PRO 10 1HB PRO 10 2.995 3.842 -5.486
89 HB3 PRO 10 2HB PRO 10 3.381 4.159 -3.785
90 HG2 PRO 10 1HG PRO 10 4.374 2.033 -5.096
91 HG3 PRO 10 2HG PRO 10 3.966 1.971 -3.370
92 HD2 PRO 10 1HD PRO 10 2.398 0.915 -5.711
93 HD3 PRO 10 2HD PRO 10 2.676 0.184 -4.118
94 H TYR 11 H TYR 11 0.398 5.569 -3.946
95 HA TYR 11 HA TYR 11 -1.775 5.335 -5.683
96 HB2 TYR 11 1HB TYR 11 -1.552 7.237 -4.171
97 HB3 TYR 11 2HB TYR 11 -0.117 7.789 -5.037
98 HD1 TYR 11 HD1 TYR 11 -3.767 7.159 -5.371
99 HD2 TYR 11 HD2 TYR 11 -0.302 9.061 -7.052
100 HE1 TYR 11 HE1 TYR 11 -5.215 8.381 -6.970
101 HE2 TYR 11 HE2 TYR 11 -1.751 10.284 -8.653
102 HH TYR 11 HH TYR 11 -4.246 9.711 -9.676
103 H ILE 12 H ILE 12 1.524 6.508 -6.326
104 HA ILE 12 HA ILE 12 1.137 6.989 -9.100
105 HB ILE 12 HB ILE 12 3.707 6.331 -7.635
106 HG12 ILE 12 1HG1 ILE 12 2.483 9.043 -8.231
107 HG13 ILE 12 2HG1 ILE 12 2.379 8.242 -6.664
108 HG21 ILE 12 1HG2 ILE 12 3.832 6.221 -10.120
109 HG22 ILE 12 2HG2 ILE 12 4.771 7.563 -9.468
110 HG23 ILE 12 3HG2 ILE 12 3.199 7.865 -10.205
111 HD11 ILE 12 3HD1 ILE 12 4.262 9.751 -6.578
112 HD12 ILE 12 1HD1 ILE 12 4.894 9.126 -8.102
113 HD13 ILE 12 2HD1 ILE 12 4.901 8.107 -6.661
114 H LEU 13 H LEU 13 2.376 4.246 -7.247
115 HA LEU 13 HA LEU 13 2.247 1.997 -7.739
116 HB2 LEU 13 1HB LEU 13 0.422 2.790 -9.470
117 HB3 LEU 13 2HB LEU 13 1.694 2.489 -10.643
118 HG LEU 13 HG LEU 13 0.395 0.472 -10.457
119 HD11 LEU 13 1HD1 LEU 13 2.100 -1.104 -9.936
120 HD12 LEU 13 2HD1 LEU 13 2.851 -0.020 -8.766
121 HD13 LEU 13 3HD1 LEU 13 2.943 0.340 -10.491
122 HD21 LEU 13 3HD2 LEU 13 -0.389 -0.471 -8.498
123 HD22 LEU 13 1HD2 LEU 13 -0.304 1.203 -7.961
124 HD23 LEU 13 2HD2 LEU 13 0.983 0.075 -7.540
Start of MODEL 23
1 H1 GLU 1 1H GLU 1 -0.213 -4.975 8.393
2 H2 GLU 1 2H GLU 1 1.178 -5.771 8.961
3 H3 GLU 1 3H GLU 1 0.476 -4.522 9.875
4 HA GLU 1 HA GLU 1 -0.290 -7.316 9.633
5 HB2 GLU 1 1HB GLU 1 -0.567 -5.152 11.737
6 HB3 GLU 1 2HB GLU 1 -1.117 -6.812 11.957
7 HG2 GLU 1 1HG GLU 1 1.177 -7.630 11.580
8 HG3 GLU 1 2HG GLU 1 1.730 -5.973 11.337
9 H LEU 2 H LEU 2 -1.826 -4.117 9.929
10 HA LEU 2 HA LEU 2 -4.481 -5.296 9.463
11 HB2 LEU 2 1HB LEU 2 -3.618 -2.474 10.150
12 HB3 LEU 2 2HB LEU 2 -5.292 -2.999 9.964
13 HG LEU 2 HG LEU 2 -3.331 -4.220 11.929
14 HD11 LEU 2 1HD1 LEU 2 -3.960 -1.791 12.364
15 HD12 LEU 2 2HD1 LEU 2 -4.369 -2.923 13.653
16 HD13 LEU 2 3HD1 LEU 2 -5.624 -2.346 12.556
17 HD21 LEU 2 3HD2 LEU 2 -4.960 -5.861 11.650
18 HD22 LEU 2 1HD2 LEU 2 -6.221 -4.702 11.237
19 HD23 LEU 2 2HD2 LEU 2 -5.718 -4.902 12.914
20 H TYR 3 H TYR 3 -3.643 -2.089 8.386
21 HA TYR 3 HA TYR 3 -4.336 -2.864 5.618
22 HB2 TYR 3 1HB TYR 3 -5.606 -1.018 6.824
23 HB3 TYR 3 2HB TYR 3 -4.126 -0.061 6.737
24 HD1 TYR 3 HD2 TYR 3 -6.546 -1.981 4.645
25 HD2 TYR 3 HD1 TYR 3 -3.565 1.108 4.749
26 HE1 TYR 3 HE2 TYR 3 -7.086 -1.383 2.300
27 HE2 TYR 3 HE1 TYR 3 -4.109 1.712 2.404
28 HH TYR 3 HH TYR 3 -5.661 -0.203 0.338
29 H GLU 4 H GLU 4 -1.895 -3.721 6.232
30 HA GLU 4 HA GLU 4 0.125 -1.728 5.599
31 HB2 GLU 4 1HB GLU 4 1.704 -3.589 5.876
32 HB3 GLU 4 2HB GLU 4 0.587 -3.512 7.242
33 HG2 GLU 4 1HG GLU 4 -0.789 -5.285 6.240
34 HG3 GLU 4 2HG GLU 4 0.301 -5.365 4.855
35 H ASN 5 H ASN 5 -2.083 -2.764 3.708
36 HA ASN 5 HA ASN 5 -0.415 -3.727 1.471
37 HB2 ASN 5 1HB ASN 5 -2.567 -4.221 0.376
38 HB3 ASN 5 2HB ASN 5 -2.440 -5.022 1.941
39 HD21 ASN 5 2HD2 ASN 5 -4.886 -5.036 1.898
40 HD22 ASN 5 1HD2 ASN 5 -5.715 -3.631 2.370
41 H LYS 6 H LYS 6 -0.580 -0.918 2.581
42 HA LYS 6 HA LYS 6 -1.853 0.596 0.455
43 HB2 LYS 6 1HB LYS 6 -1.857 1.311 2.872
44 HB3 LYS 6 2HB LYS 6 -0.137 1.652 2.703
45 HG2 LYS 6 1HG LYS 6 -0.683 3.164 0.776
46 HG3 LYS 6 2HG LYS 6 -2.394 2.911 1.121
47 HD2 LYS 6 1HD LYS 6 -1.990 3.742 3.452
48 HD3 LYS 6 2HD LYS 6 -0.336 4.134 2.980
49 HE2 LYS 6 1HE LYS 6 -1.119 5.710 1.316
50 HE3 LYS 6 2HE LYS 6 -2.794 5.222 1.579
51 HZ1 LYS 6 3HZ LYS 6 -1.079 6.345 3.717
52 HZ2 LYS 6 1HZ LYS 6 -2.758 6.103 3.755
53 HZ3 LYS 6 2HZ LYS 6 -2.097 7.301 2.748
54 HA PRO 7 HA PRO 7 2.652 1.523 -0.600
55 HB2 PRO 7 1HB PRO 7 4.660 -0.059 0.304
56 HB3 PRO 7 2HB PRO 7 3.980 1.252 1.287
57 HG2 PRO 7 1HG PRO 7 3.571 -1.680 1.508
58 HG3 PRO 7 2HG PRO 7 3.552 -0.439 2.772
59 HD2 PRO 7 1HD PRO 7 1.277 -1.607 1.516
60 HD3 PRO 7 2HD PRO 7 1.272 -0.196 2.596
61 H ARG 8 H ARG 8 1.027 -1.276 -0.950
62 HA ARG 8 HA ARG 8 2.771 -2.485 -2.988
63 HB2 ARG 8 1HB ARG 8 0.039 -3.279 -1.941
64 HB3 ARG 8 2HB ARG 8 0.934 -4.158 -3.180
65 HG2 ARG 8 1HG ARG 8 2.787 -4.527 -1.598
66 HG3 ARG 8 2HG ARG 8 1.907 -3.638 -0.354
67 HD2 ARG 8 1HD ARG 8 1.579 -6.038 -0.028
68 HD3 ARG 8 2HD ARG 8 0.059 -5.290 -0.509
69 HE ARG 8 HE ARG 8 0.190 -6.415 -2.566
70 HH11 ARG 8 1HH2 ARG 8 3.099 -6.729 -0.716
71 HH12 ARG 8 2HH2 ARG 8 3.758 -7.986 -1.708
72 HH21 ARG 8 1HH1 ARG 8 1.054 -8.057 -3.878
73 HH22 ARG 8 2HH1 ARG 8 2.607 -8.729 -3.505
74 H ARG 9 H ARG 9 0.044 -0.504 -2.464
75 HA ARG 9 HA ARG 9 -0.324 -0.098 -5.377
76 HB2 ARG 9 1HB ARG 9 -2.713 0.565 -4.693
77 HB3 ARG 9 2HB ARG 9 -2.327 -1.156 -4.698
78 HG2 ARG 9 1HG ARG 9 -2.155 -1.251 -2.348
79 HG3 ARG 9 2HG ARG 9 -2.018 0.501 -2.194
80 HD2 ARG 9 1HD ARG 9 -4.308 -0.659 -1.648
81 HD3 ARG 9 2HD ARG 9 -4.304 0.842 -2.569
82 HE ARG 9 HE ARG 9 -4.150 -1.226 -4.428
83 HH11 ARG 9 1HH2 ARG 9 -6.282 -0.108 -1.943
84 HH12 ARG 9 2HH2 ARG 9 -7.711 -0.733 -2.696
85 HH21 ARG 9 1HH1 ARG 9 -6.023 -2.053 -5.420
86 HH22 ARG 9 2HH1 ARG 9 -7.564 -1.833 -4.661
87 HA PRO 10 HA PRO 10 0.805 3.718 -2.911
88 HB2 PRO 10 1HB PRO 10 3.027 4.480 -4.306
89 HB3 PRO 10 2HB PRO 10 3.085 3.289 -2.989
90 HG2 PRO 10 1HG PRO 10 2.988 2.829 -5.947
91 HG3 PRO 10 2HG PRO 10 4.019 2.057 -4.725
92 HD2 PRO 10 1HD PRO 10 1.769 0.859 -5.686
93 HD3 PRO 10 2HD PRO 10 2.328 0.626 -4.010
94 H TYR 11 H TYR 11 0.385 5.907 -3.556
95 HA TYR 11 HA TYR 11 -1.410 6.398 -5.577
96 HB2 TYR 11 1HB TYR 11 0.692 8.220 -4.391
97 HB3 TYR 11 2HB TYR 11 -0.584 8.791 -5.468
98 HD1 TYR 11 HD1 TYR 11 -2.981 8.564 -4.796
99 HD2 TYR 11 HD2 TYR 11 0.239 7.633 -2.109
100 HE1 TYR 11 HE1 TYR 11 -4.555 8.653 -2.880
101 HE2 TYR 11 HE2 TYR 11 -1.330 7.726 -0.192
102 HH TYR 11 HH TYR 11 -4.077 7.339 -0.053
103 H ILE 12 H ILE 12 2.128 6.630 -5.717
104 HA ILE 12 HA ILE 12 2.006 6.896 -8.665
105 HB ILE 12 HB ILE 12 4.346 7.227 -6.758
106 HG12 ILE 12 1HG1 ILE 12 2.846 9.344 -8.328
107 HG13 ILE 12 2HG1 ILE 12 2.499 8.972 -6.639
108 HG21 ILE 12 1HG2 ILE 12 4.035 7.702 -9.738
109 HG22 ILE 12 2HG2 ILE 12 5.079 6.510 -8.965
110 HG23 ILE 12 3HG2 ILE 12 5.423 8.230 -8.789
111 HD11 ILE 12 3HD1 ILE 12 5.244 9.747 -7.659
112 HD12 ILE 12 1HD1 ILE 12 4.741 9.581 -5.976
113 HD13 ILE 12 2HD1 ILE 12 4.098 10.892 -6.964
114 H LEU 13 H LEU 13 1.877 4.930 -9.565
115 HA LEU 13 HA LEU 13 2.692 2.535 -8.348
116 HB2 LEU 13 1HB LEU 13 2.484 1.565 -10.674
117 HB3 LEU 13 2HB LEU 13 1.059 2.375 -10.040
118 HG LEU 13 HG LEU 13 1.904 4.484 -11.274
119 HD11 LEU 13 1HD1 LEU 13 3.720 2.364 -12.430
120 HD12 LEU 13 2HD1 LEU 13 4.133 3.989 -11.890
121 HD13 LEU 13 3HD1 LEU 13 3.238 3.761 -13.387
122 HD21 LEU 13 3HD2 LEU 13 0.876 3.739 -13.383
123 HD22 LEU 13 1HD2 LEU 13 -0.028 3.131 -11.996
124 HD23 LEU 13 2HD2 LEU 13 1.056 2.057 -12.883
Start of MODEL 24
1 H1 GLU 1 1H GLU 1 0.545 -6.879 8.800
2 H2 GLU 1 2H GLU 1 -0.449 -5.522 8.563
3 H3 GLU 1 3H GLU 1 0.821 -5.846 7.483
4 HA GLU 1 HA GLU 1 -0.466 -7.107 6.232
5 HB2 GLU 1 1HB GLU 1 -1.522 -9.123 7.171
6 HB3 GLU 1 2HB GLU 1 0.121 -8.942 7.786
7 HG2 GLU 1 1HG GLU 1 -0.796 -7.874 9.841
8 HG3 GLU 1 2HG GLU 1 -2.426 -8.156 9.233
9 H LEU 2 H LEU 2 -1.715 -5.317 8.831
10 HA LEU 2 HA LEU 2 -4.518 -5.585 8.107
11 HB2 LEU 2 1HB LEU 2 -3.085 -3.736 10.028
12 HB3 LEU 2 2HB LEU 2 -4.833 -3.797 9.824
13 HG LEU 2 HG LEU 2 -3.129 -6.185 10.598
14 HD11 LEU 2 1HD1 LEU 2 -4.831 -4.371 12.334
15 HD12 LEU 2 2HD1 LEU 2 -3.069 -4.434 12.335
16 HD13 LEU 2 3HD1 LEU 2 -4.002 -5.830 12.876
17 HD21 LEU 2 3HD2 LEU 2 -6.082 -5.711 10.215
18 HD22 LEU 2 1HD2 LEU 2 -5.555 -6.875 11.431
19 HD23 LEU 2 2HD2 LEU 2 -5.106 -7.101 9.746
20 H TYR 3 H TYR 3 -3.078 -2.468 8.743
21 HA TYR 3 HA TYR 3 -4.211 -1.432 6.242
22 HB2 TYR 3 1HB TYR 3 -4.709 -0.225 8.315
23 HB3 TYR 3 2HB TYR 3 -2.984 -0.005 8.614
24 HD1 TYR 3 HD1 TYR 3 -5.603 0.623 6.008
25 HD2 TYR 3 HD2 TYR 3 -1.897 1.902 7.763
26 HE1 TYR 3 HE1 TYR 3 -5.622 2.644 4.575
27 HE2 TYR 3 HE2 TYR 3 -1.917 3.925 6.330
28 HH TYR 3 HH TYR 3 -3.598 4.266 3.660
29 H GLU 4 H GLU 4 -1.476 -2.939 6.904
30 HA GLU 4 HA GLU 4 0.443 -1.056 5.789
31 HB2 GLU 4 1HB GLU 4 0.662 -3.953 6.634
32 HB3 GLU 4 2HB GLU 4 2.005 -3.015 5.980
33 HG2 GLU 4 1HG GLU 4 1.804 -1.388 7.782
34 HG3 GLU 4 2HG GLU 4 0.387 -2.224 8.415
35 H ASN 5 H ASN 5 -1.966 -2.195 4.301
36 HA ASN 5 HA ASN 5 -0.607 -3.492 2.020
37 HB2 ASN 5 1HB ASN 5 -3.528 -3.168 2.742
38 HB3 ASN 5 2HB ASN 5 -2.963 -3.875 1.229
39 HD21 ASN 5 2HD2 ASN 5 -4.426 -5.160 3.576
40 HD22 ASN 5 1HD2 ASN 5 -3.443 -6.471 4.022
41 H LYS 6 H LYS 6 -1.064 -0.473 3.041
42 HA LYS 6 HA LYS 6 -2.185 0.706 0.634
43 HB2 LYS 6 1HB LYS 6 -2.469 1.572 3.049
44 HB3 LYS 6 2HB LYS 6 -0.844 2.223 2.862
45 HG2 LYS 6 1HG LYS 6 -2.104 4.038 2.122
46 HG3 LYS 6 2HG LYS 6 -1.827 3.203 0.595
47 HD2 LYS 6 1HD LYS 6 -4.025 2.097 0.792
48 HD3 LYS 6 2HD LYS 6 -4.296 2.900 2.337
49 HE2 LYS 6 1HE LYS 6 -3.703 4.478 -0.169
50 HE3 LYS 6 2HE LYS 6 -5.344 3.981 0.238
51 HZ1 LYS 6 3HZ LYS 6 -3.927 6.157 1.233
52 HZ2 LYS 6 1HZ LYS 6 -4.108 5.066 2.519
53 HZ3 LYS 6 2HZ LYS 6 -5.478 5.629 1.685
54 HA PRO 7 HA PRO 7 2.315 2.009 0.019
55 HB2 PRO 7 1HB PRO 7 4.323 0.765 1.359
56 HB3 PRO 7 2HB PRO 7 3.396 2.099 2.074
57 HG2 PRO 7 1HG PRO 7 3.246 -0.808 2.634
58 HG3 PRO 7 2HG PRO 7 2.921 0.567 3.702
59 HD2 PRO 7 1HD PRO 7 0.983 -1.003 2.314
60 HD3 PRO 7 2HD PRO 7 0.676 0.497 3.213
61 H ARG 8 H ARG 8 1.004 -0.947 -0.153
62 HA ARG 8 HA ARG 8 3.067 -2.242 -1.803
63 HB2 ARG 8 1HB ARG 8 0.243 -3.159 -1.184
64 HB3 ARG 8 2HB ARG 8 1.538 -4.128 -1.877
65 HG2 ARG 8 1HG ARG 8 1.705 -2.859 0.868
66 HG3 ARG 8 2HG ARG 8 1.136 -4.504 0.603
67 HD2 ARG 8 1HD ARG 8 3.887 -3.389 0.004
68 HD3 ARG 8 2HD ARG 8 3.465 -4.646 1.157
69 HE ARG 8 HE ARG 8 3.775 -4.966 -1.709
70 HH11 ARG 8 1HH2 ARG 8 2.410 -6.187 1.229
71 HH12 ARG 8 2HH2 ARG 8 2.327 -7.824 0.669
72 HH21 ARG 8 1HH1 ARG 8 3.670 -7.105 -2.446
73 HH22 ARG 8 2HH1 ARG 8 3.042 -8.345 -1.414
74 H ARG 9 H ARG 9 0.182 -0.440 -1.835
75 HA ARG 9 HA ARG 9 0.090 -0.420 -4.794
76 HB2 ARG 9 1HB ARG 9 -2.142 -0.269 -2.756
77 HB3 ARG 9 2HB ARG 9 -2.349 0.241 -4.432
78 HG2 ARG 9 1HG ARG 9 -1.561 -2.042 -5.148
79 HG3 ARG 9 2HG ARG 9 -1.579 -2.523 -3.451
80 HD2 ARG 9 1HD ARG 9 -4.009 -1.357 -4.823
81 HD3 ARG 9 2HD ARG 9 -3.672 -3.083 -4.813
82 HE ARG 9 HE ARG 9 -4.141 -3.142 -2.509
83 HH11 ARG 9 1HH2 ARG 9 -4.136 0.086 -3.772
84 HH12 ARG 9 2HH2 ARG 9 -4.896 0.778 -2.378
85 HH21 ARG 9 1HH1 ARG 9 -5.135 -2.236 -0.682
86 HH22 ARG 9 2HH1 ARG 9 -5.461 -0.535 -0.632
87 HA PRO 10 HA PRO 10 1.080 3.674 -2.930
88 HB2 PRO 10 1HB PRO 10 3.192 4.359 -4.496
89 HB3 PRO 10 2HB PRO 10 3.354 3.245 -3.120
90 HG2 PRO 10 1HG PRO 10 3.143 2.629 -6.034
91 HG3 PRO 10 2HG PRO 10 4.184 1.894 -4.804
92 HD2 PRO 10 1HD PRO 10 1.813 0.774 -5.697
93 HD3 PRO 10 2HD PRO 10 2.529 0.433 -4.102
94 H TYR 11 H TYR 11 0.638 5.808 -3.728
95 HA TYR 11 HA TYR 11 -1.335 6.127 -5.611
96 HB2 TYR 11 1HB TYR 11 0.849 8.148 -5.040
97 HB3 TYR 11 2HB TYR 11 -0.762 8.490 -5.667
98 HD1 TYR 11 HD1 TYR 11 -2.788 7.955 -4.228
99 HD2 TYR 11 HD2 TYR 11 1.230 7.897 -2.707
100 HE1 TYR 11 HE1 TYR 11 -3.661 8.093 -1.911
101 HE2 TYR 11 HE2 TYR 11 0.356 8.037 -0.391
102 HH TYR 11 HH TYR 11 -1.499 8.501 0.847
103 H ILE 12 H ILE 12 2.175 6.311 -6.098
104 HA ILE 12 HA ILE 12 1.801 6.476 -9.025
105 HB ILE 12 HB ILE 12 4.343 6.629 -7.382
106 HG12 ILE 12 1HG1 ILE 12 2.898 8.507 -6.809
107 HG13 ILE 12 2HG1 ILE 12 4.203 9.080 -7.842
108 HG21 ILE 12 1HG2 ILE 12 5.190 7.705 -9.513
109 HG22 ILE 12 2HG2 ILE 12 3.696 7.176 -10.287
110 HG23 ILE 12 3HG2 ILE 12 4.825 5.985 -9.643
111 HD11 ILE 12 3HD1 ILE 12 2.501 8.661 -9.797
112 HD12 ILE 12 1HD1 ILE 12 2.320 10.099 -8.797
113 HD13 ILE 12 2HD1 ILE 12 1.294 8.696 -8.515
114 H LEU 13 H LEU 13 1.479 4.512 -9.885
115 HA LEU 13 HA LEU 13 2.416 2.109 -8.678
116 HB2 LEU 13 1HB LEU 13 1.753 1.257 -11.145
117 HB3 LEU 13 2HB LEU 13 0.549 1.616 -9.910
118 HG LEU 13 HG LEU 13 1.485 3.883 -11.657
119 HD11 LEU 13 1HD1 LEU 13 -0.300 3.283 -13.315
120 HD12 LEU 13 2HD1 LEU 13 -0.440 1.711 -12.530
121 HD13 LEU 13 3HD1 LEU 13 1.070 2.172 -13.318
122 HD21 LEU 13 3HD2 LEU 13 -0.643 4.787 -11.168
123 HD22 LEU 13 1HD2 LEU 13 -0.213 3.963 -9.671
124 HD23 LEU 13 2HD2 LEU 13 -1.334 3.208 -10.799
Start of MODEL 25
1 H1 GLU 1 1H GLU 1 0.063 -6.170 8.879
2 H2 GLU 1 2H GLU 1 1.453 -6.806 8.134
3 H3 GLU 1 3H GLU 1 0.386 -7.834 8.969
4 HA GLU 1 HA GLU 1 0.091 -6.583 6.330
5 HB2 GLU 1 1HB GLU 1 -0.496 -9.301 7.533
6 HB3 GLU 1 2HB GLU 1 -0.877 -8.861 5.869
7 HG2 GLU 1 1HG GLU 1 1.485 -8.393 5.422
8 HG3 GLU 1 2HG GLU 1 1.892 -8.755 7.099
9 H LEU 2 H LEU 2 -1.248 -5.466 8.711
10 HA LEU 2 HA LEU 2 -4.074 -6.205 8.295
11 HB2 LEU 2 1HB LEU 2 -2.574 -4.661 10.404
12 HB3 LEU 2 2HB LEU 2 -4.318 -4.466 10.236
13 HG LEU 2 HG LEU 2 -4.612 -6.909 10.484
14 HD11 LEU 2 1HD1 LEU 2 -2.541 -8.163 11.352
15 HD12 LEU 2 2HD1 LEU 2 -1.598 -6.818 10.708
16 HD13 LEU 2 3HD1 LEU 2 -2.581 -7.803 9.627
17 HD21 LEU 2 3HD2 LEU 2 -4.543 -5.316 12.468
18 HD22 LEU 2 1HD2 LEU 2 -2.876 -5.830 12.721
19 HD23 LEU 2 2HD2 LEU 2 -4.189 -7.001 12.850
20 H TYR 3 H TYR 3 -2.558 -3.061 8.967
21 HA TYR 3 HA TYR 3 -4.297 -1.824 6.936
22 HB2 TYR 3 1HB TYR 3 -4.267 -0.876 9.237
23 HB3 TYR 3 2HB TYR 3 -2.552 -0.512 9.035
24 HD1 TYR 3 HD2 TYR 3 -5.923 0.124 7.559
25 HD2 TYR 3 HD1 TYR 3 -1.849 1.446 7.896
26 HE1 TYR 3 HE2 TYR 3 -6.504 2.222 6.373
27 HE2 TYR 3 HE1 TYR 3 -2.430 3.540 6.705
28 HH TYR 3 HH TYR 3 -5.390 4.707 6.385
29 H GLU 4 H GLU 4 -1.545 -3.336 6.723
30 HA GLU 4 HA GLU 4 0.141 -1.303 5.508
31 HB2 GLU 4 1HB GLU 4 0.410 -4.310 5.763
32 HB3 GLU 4 2HB GLU 4 1.613 -3.275 4.995
33 HG2 GLU 4 1HG GLU 4 2.411 -3.459 7.197
34 HG3 GLU 4 2HG GLU 4 1.552 -1.924 7.224
35 H ASN 5 H ASN 5 -2.387 -1.499 4.301
36 HA ASN 5 HA ASN 5 -1.882 -2.847 1.719
37 HB2 ASN 5 1HB ASN 5 -4.404 -1.695 2.937
38 HB3 ASN 5 2HB ASN 5 -4.301 -2.376 1.314
39 HD21 ASN 5 2HD2 ASN 5 -2.457 -4.549 2.009
40 HD22 ASN 5 1HD2 ASN 5 -3.336 -5.651 2.956
41 H LYS 6 H LYS 6 -1.136 -0.027 3.065
42 HA LYS 6 HA LYS 6 -2.027 1.739 0.904
43 HB2 LYS 6 1HB LYS 6 -0.743 2.147 3.591
44 HB3 LYS 6 2HB LYS 6 -0.654 3.428 2.385
45 HG2 LYS 6 1HG LYS 6 -3.325 2.152 2.950
46 HG3 LYS 6 2HG LYS 6 -2.682 3.324 4.099
47 HD2 LYS 6 1HD LYS 6 -2.572 5.039 2.426
48 HD3 LYS 6 2HD LYS 6 -2.901 3.891 1.131
49 HE2 LYS 6 1HE LYS 6 -4.815 4.639 3.361
50 HE3 LYS 6 2HE LYS 6 -4.930 5.163 1.682
51 HZ1 LYS 6 3HZ LYS 6 -6.338 3.344 1.790
52 HZ2 LYS 6 1HZ LYS 6 -5.301 2.458 2.798
53 HZ3 LYS 6 2HZ LYS 6 -4.909 2.676 1.160
54 HA PRO 7 HA PRO 7 2.634 1.761 0.167
55 HB2 PRO 7 1HB PRO 7 4.264 -0.062 1.299
56 HB3 PRO 7 2HB PRO 7 3.684 1.349 2.208
57 HG2 PRO 7 1HG PRO 7 2.798 -1.488 2.356
58 HG3 PRO 7 2HG PRO 7 2.893 -0.268 3.638
59 HD2 PRO 7 1HD PRO 7 0.554 -1.011 2.197
60 HD3 PRO 7 2HD PRO 7 0.717 0.388 3.278
61 H ARG 8 H ARG 8 0.576 -0.732 -0.224
62 HA ARG 8 HA ARG 8 2.235 -2.343 -2.038
63 HB2 ARG 8 1HB ARG 8 -0.664 -2.560 -1.181
64 HB3 ARG 8 2HB ARG 8 0.099 -3.631 -2.353
65 HG2 ARG 8 1HG ARG 8 1.764 -4.309 -0.660
66 HG3 ARG 8 2HG ARG 8 0.999 -3.244 0.518
67 HD2 ARG 8 1HD ARG 8 -1.113 -4.517 0.281
68 HD3 ARG 8 2HD ARG 8 -0.323 -5.595 -0.864
69 HE ARG 8 HE ARG 8 1.188 -5.551 1.516
70 HH11 ARG 8 1HH2 ARG 8 -1.864 -6.583 0.255
71 HH12 ARG 8 2HH2 ARG 8 -2.051 -7.878 1.387
72 HH21 ARG 8 1HH1 ARG 8 0.948 -7.248 3.011
73 HH22 ARG 8 2HH1 ARG 8 -0.460 -8.257 2.947
74 H ARG 9 H ARG 9 -0.111 0.146 -1.892
75 HA ARG 9 HA ARG 9 -0.157 0.376 -4.849
76 HB2 ARG 9 1HB ARG 9 -2.358 0.969 -2.856
77 HB3 ARG 9 2HB ARG 9 -2.408 1.438 -4.556
78 HG2 ARG 9 1HG ARG 9 -2.267 -0.890 -5.252
79 HG3 ARG 9 2HG ARG 9 -2.062 -1.412 -3.580
80 HD2 ARG 9 1HD ARG 9 -4.297 -0.434 -3.048
81 HD3 ARG 9 2HD ARG 9 -4.506 -0.062 -4.757
82 HE ARG 9 HE ARG 9 -3.909 -2.772 -4.625
83 HH11 ARG 9 1HH2 ARG 9 -6.307 -0.588 -3.420
84 HH12 ARG 9 2HH2 ARG 9 -7.572 -1.770 -3.397
85 HH21 ARG 9 1HH1 ARG 9 -5.565 -4.328 -4.604
86 HH22 ARG 9 2HH1 ARG 9 -7.152 -3.888 -4.068
87 HA PRO 10 HA PRO 10 2.110 3.841 -2.398
88 HB2 PRO 10 1HB PRO 10 3.054 3.851 -5.273
89 HB3 PRO 10 2HB PRO 10 3.954 4.277 -3.800
90 HG2 PRO 10 1HG PRO 10 4.173 1.857 -4.949
91 HG3 PRO 10 2HG PRO 10 4.269 2.081 -3.193
92 HD2 PRO 10 1HD PRO 10 2.141 0.767 -4.758
93 HD3 PRO 10 2HD PRO 10 2.428 0.735 -3.005
94 H TYR 11 H TYR 11 1.519 4.417 -5.845
95 HA TYR 11 HA TYR 11 -0.791 6.068 -5.496
96 HB2 TYR 11 1HB TYR 11 1.885 7.399 -6.016
97 HB3 TYR 11 2HB TYR 11 0.332 8.168 -6.335
98 HD1 TYR 11 HD1 TYR 11 -1.304 8.480 -4.423
99 HD2 TYR 11 HD2 TYR 11 2.787 7.317 -3.814
100 HE1 TYR 11 HE1 TYR 11 -1.467 9.156 -2.043
101 HE2 TYR 11 HE2 TYR 11 2.624 7.994 -1.434
102 HH TYR 11 HH TYR 11 -0.454 9.021 -0.023
103 H ILE 12 H ILE 12 2.109 5.763 -7.537
104 HA ILE 12 HA ILE 12 0.385 5.035 -9.817
105 HB ILE 12 HB ILE 12 1.179 7.479 -9.839
106 HG12 ILE 12 1HG1 ILE 12 2.139 5.819 -12.187
107 HG13 ILE 12 2HG1 ILE 12 0.430 6.101 -11.859
108 HG21 ILE 12 1HG2 ILE 12 3.443 7.958 -10.315
109 HG22 ILE 12 2HG2 ILE 12 3.810 6.279 -10.707
110 HG23 ILE 12 3HG2 ILE 12 3.520 6.752 -9.032
111 HD11 ILE 12 3HD1 ILE 12 1.348 7.753 -13.471
112 HD12 ILE 12 1HD1 ILE 12 2.502 8.280 -12.245
113 HD13 ILE 12 2HD1 ILE 12 0.774 8.520 -11.989
114 H LEU 13 H LEU 13 2.431 3.839 -7.776
115 HA LEU 13 HA LEU 13 3.988 2.165 -7.766
116 HB2 LEU 13 1HB LEU 13 2.273 0.941 -8.954
117 HB3 LEU 13 2HB LEU 13 2.748 1.673 -10.483
118 HG LEU 13 HG LEU 13 4.920 0.552 -10.393
119 HD11 LEU 13 1HD1 LEU 13 3.956 -0.258 -7.648
120 HD12 LEU 13 2HD1 LEU 13 5.508 0.443 -8.112
121 HD13 LEU 13 3HD1 LEU 13 5.147 -1.236 -8.505
122 HD21 LEU 13 3HD2 LEU 13 2.891 -0.648 -11.283
123 HD22 LEU 13 1HD2 LEU 13 2.726 -1.425 -9.710
124 HD23 LEU 13 2HD2 LEU 13 4.155 -1.727 -10.695
Start of MODEL 26
1 H1 GLU 1 1H GLU 1 -0.363 -4.337 9.602
2 H2 GLU 1 2H GLU 1 0.765 -4.163 8.343
3 H3 GLU 1 3H GLU 1 1.229 -4.887 9.807
4 HA GLU 1 HA GLU 1 0.526 -6.259 7.632
5 HB2 GLU 1 1HB GLU 1 0.240 -8.166 9.185
6 HB3 GLU 1 2HB GLU 1 1.604 -7.153 9.662
7 HG2 GLU 1 1HG GLU 1 0.151 -5.998 11.307
8 HG3 GLU 1 2HG GLU 1 -1.187 -7.051 10.851
9 H LEU 2 H LEU 2 -1.669 -4.503 9.531
10 HA LEU 2 HA LEU 2 -3.994 -6.147 8.923
11 HB2 LEU 2 1HB LEU 2 -3.899 -4.916 11.056
12 HB3 LEU 2 2HB LEU 2 -3.771 -3.396 10.177
13 HG LEU 2 HG LEU 2 -5.992 -3.733 9.200
14 HD11 LEU 2 1HD1 LEU 2 -6.303 -6.049 8.936
15 HD12 LEU 2 2HD1 LEU 2 -7.347 -5.702 10.313
16 HD13 LEU 2 3HD1 LEU 2 -5.752 -6.407 10.572
17 HD21 LEU 2 3HD2 LEU 2 -7.307 -3.721 11.386
18 HD22 LEU 2 1HD2 LEU 2 -5.978 -2.565 11.287
19 HD23 LEU 2 2HD2 LEU 2 -5.780 -4.060 12.201
20 H TYR 3 H TYR 3 -3.694 -2.645 8.524
21 HA TYR 3 HA TYR 3 -4.873 -2.876 5.816
22 HB2 TYR 3 1HB TYR 3 -6.044 -1.487 7.598
23 HB3 TYR 3 2HB TYR 3 -4.665 -0.389 7.527
24 HD1 TYR 3 HD1 TYR 3 -7.356 -1.944 5.460
25 HD2 TYR 3 HD2 TYR 3 -4.435 1.187 5.772
26 HE1 TYR 3 HE1 TYR 3 -8.293 -0.868 3.433
27 HE2 TYR 3 HE2 TYR 3 -5.362 2.256 3.741
28 HH TYR 3 HH TYR 3 -8.357 1.438 2.434
29 H GLU 4 H GLU 4 -2.017 -3.245 6.623
30 HA GLU 4 HA GLU 4 -0.645 -0.928 5.526
31 HB2 GLU 4 1HB GLU 4 0.274 -3.617 6.565
32 HB3 GLU 4 2HB GLU 4 1.384 -2.477 5.804
33 HG2 GLU 4 1HG GLU 4 1.564 -2.000 8.111
34 HG3 GLU 4 2HG GLU 4 0.479 -0.749 7.516
35 H ASN 5 H ASN 5 -2.501 -2.019 3.761
36 HA ASN 5 HA ASN 5 -0.930 -3.496 1.747
37 HB2 ASN 5 1HB ASN 5 -3.879 -2.892 2.013
38 HB3 ASN 5 2HB ASN 5 -3.171 -3.634 0.581
39 HD21 ASN 5 2HD2 ASN 5 -1.323 -5.419 1.678
40 HD22 ASN 5 1HD2 ASN 5 -2.131 -6.561 2.642
41 H LYS 6 H LYS 6 -1.095 -0.437 2.588
42 HA LYS 6 HA LYS 6 -1.797 0.803 0.065
43 HB2 LYS 6 1HB LYS 6 -2.151 1.798 2.419
44 HB3 LYS 6 2HB LYS 6 -0.430 2.174 2.372
45 HG2 LYS 6 1HG LYS 6 -1.304 4.134 1.464
46 HG3 LYS 6 2HG LYS 6 -1.027 3.199 -0.002
47 HD2 LYS 6 1HD LYS 6 -3.224 3.884 -0.352
48 HD3 LYS 6 2HD LYS 6 -3.506 2.341 0.446
49 HE2 LYS 6 1HE LYS 6 -4.911 3.812 1.627
50 HE3 LYS 6 2HE LYS 6 -3.479 3.736 2.651
51 HZ1 LYS 6 3HZ LYS 6 -4.566 6.007 1.823
52 HZ2 LYS 6 1HZ LYS 6 -3.467 5.757 0.559
53 HZ3 LYS 6 2HZ LYS 6 -2.909 5.848 2.161
54 HA PRO 7 HA PRO 7 2.906 1.383 -0.145
55 HB2 PRO 7 1HB PRO 7 4.573 -0.223 1.228
56 HB3 PRO 7 2HB PRO 7 3.758 1.141 2.022
57 HG2 PRO 7 1HG PRO 7 3.115 -1.767 2.129
58 HG3 PRO 7 2HG PRO 7 3.020 -0.544 3.411
59 HD2 PRO 7 1HD PRO 7 0.860 -1.459 1.855
60 HD3 PRO 7 2HD PRO 7 0.854 0.017 2.846
61 H ARG 8 H ARG 8 1.072 -1.140 -0.751
62 HA ARG 8 HA ARG 8 3.017 -2.659 -2.390
63 HB2 ARG 8 1HB ARG 8 0.192 -3.303 -1.490
64 HB3 ARG 8 2HB ARG 8 1.103 -4.266 -2.652
65 HG2 ARG 8 1HG ARG 8 2.825 -4.730 -1.005
66 HG3 ARG 8 2HG ARG 8 2.060 -3.646 0.158
67 HD2 ARG 8 1HD ARG 8 1.470 -5.963 0.679
68 HD3 ARG 8 2HD ARG 8 0.040 -5.087 0.140
69 HE ARG 8 HE ARG 8 1.293 -6.347 -2.077
70 HH11 ARG 8 1HH2 ARG 8 -0.563 -7.007 0.776
71 HH12 ARG 8 2HH2 ARG 8 -1.284 -8.443 0.131
72 HH21 ARG 8 1HH1 ARG 8 0.356 -8.217 -2.916
73 HH22 ARG 8 2HH1 ARG 8 -0.757 -9.137 -1.957
74 H ARG 9 H ARG 9 0.431 -0.484 -2.257
75 HA ARG 9 HA ARG 9 0.237 -0.343 -5.213
76 HB2 ARG 9 1HB ARG 9 -1.884 -0.004 -3.087
77 HB3 ARG 9 2HB ARG 9 -2.071 0.670 -4.707
78 HG2 ARG 9 1HG ARG 9 -1.712 -1.590 -5.670
79 HG3 ARG 9 2HG ARG 9 -1.578 -2.249 -4.041
80 HD2 ARG 9 1HD ARG 9 -3.871 -1.460 -3.545
81 HD3 ARG 9 2HD ARG 9 -4.011 -0.850 -5.193
82 HE ARG 9 HE ARG 9 -4.197 -3.611 -4.352
83 HH11 ARG 9 1HH2 ARG 9 -3.428 -1.412 -6.905
84 HH12 ARG 9 2HH2 ARG 9 -3.745 -2.548 -8.174
85 HH21 ARG 9 1HH1 ARG 9 -4.603 -5.117 -6.000
86 HH22 ARG 9 2HH1 ARG 9 -4.430 -4.650 -7.658
87 HA PRO 10 HA PRO 10 2.140 3.423 -3.321
88 HB2 PRO 10 1HB PRO 10 3.386 3.650 -6.027
89 HB3 PRO 10 2HB PRO 10 4.151 3.708 -4.425
90 HG2 PRO 10 1HG PRO 10 4.420 1.576 -6.005
91 HG3 PRO 10 2HG PRO 10 4.259 1.407 -4.247
92 HD2 PRO 10 1HD PRO 10 2.168 0.988 -6.377
93 HD3 PRO 10 2HD PRO 10 2.508 0.024 -4.919
94 H TYR 11 H TYR 11 1.733 5.663 -3.706
95 HA TYR 11 HA TYR 11 -0.712 6.328 -4.855
96 HB2 TYR 11 1HB TYR 11 1.699 8.127 -4.486
97 HB3 TYR 11 2HB TYR 11 0.046 8.671 -4.765
98 HD1 TYR 11 HD2 TYR 11 -1.675 8.440 -3.058
99 HD2 TYR 11 HD1 TYR 11 2.345 7.114 -2.332
100 HE1 TYR 11 HE2 TYR 11 -2.172 8.274 -0.638
101 HE2 TYR 11 HE1 TYR 11 1.847 6.946 0.093
102 HH TYR 11 HH TYR 11 -1.380 7.197 1.325
103 H ILE 12 H ILE 12 2.544 6.415 -6.201
104 HA ILE 12 HA ILE 12 1.586 7.324 -8.809
105 HB ILE 12 HB ILE 12 3.993 7.295 -9.405
106 HG12 ILE 12 1HG1 ILE 12 4.416 6.450 -6.519
107 HG13 ILE 12 2HG1 ILE 12 4.580 5.361 -7.894
108 HG21 ILE 12 1HG2 ILE 12 4.662 9.097 -7.848
109 HG22 ILE 12 2HG2 ILE 12 3.350 8.639 -6.761
110 HG23 ILE 12 3HG2 ILE 12 2.984 9.289 -8.359
111 HD11 ILE 12 3HD1 ILE 12 6.154 7.930 -7.565
112 HD12 ILE 12 1HD1 ILE 12 6.374 6.714 -8.821
113 HD13 ILE 12 2HD1 ILE 12 6.761 6.329 -7.144
114 H LEU 13 H LEU 13 1.254 4.540 -7.360
115 HA LEU 13 HA LEU 13 1.090 2.340 -7.992
116 HB2 LEU 13 1HB LEU 13 0.881 3.795 -10.622
117 HB3 LEU 13 2HB LEU 13 0.871 2.033 -10.571
118 HG LEU 13 HG LEU 13 -1.032 2.145 -8.939
119 HD11 LEU 13 1HD1 LEU 13 -0.760 5.094 -9.562
120 HD12 LEU 13 2HD1 LEU 13 -0.760 4.320 -7.979
121 HD13 LEU 13 3HD1 LEU 13 -2.246 4.396 -8.920
122 HD21 LEU 13 3HD2 LEU 13 -1.445 1.827 -11.356
123 HD22 LEU 13 1HD2 LEU 13 -1.456 3.575 -11.582
124 HD23 LEU 13 2HD2 LEU 13 -2.722 2.803 -10.628
Start of MODEL 27
1 H1 GLU 1 1H GLU 1 -2.125 -7.627 7.763
2 H2 GLU 1 2H GLU 1 -1.001 -8.757 8.349
3 H3 GLU 1 3H GLU 1 -0.527 -7.149 8.071
4 HA GLU 1 HA GLU 1 -2.166 -8.256 10.250
5 HB2 GLU 1 1HB GLU 1 0.147 -6.307 10.039
6 HB3 GLU 1 2HB GLU 1 -0.691 -6.683 11.546
7 HG2 GLU 1 1HG GLU 1 -0.095 -9.035 11.345
8 HG3 GLU 1 2HG GLU 1 0.641 -8.747 9.769
9 H LEU 2 H LEU 2 -1.110 -4.973 9.391
10 HA LEU 2 HA LEU 2 -3.835 -3.973 9.963
11 HB2 LEU 2 1HB LEU 2 -1.242 -2.431 9.679
12 HB3 LEU 2 2HB LEU 2 -2.785 -1.804 10.259
13 HG LEU 2 HG LEU 2 -1.162 -3.994 11.594
14 HD11 LEU 2 1HD1 LEU 2 -1.535 -1.050 12.171
15 HD12 LEU 2 2HD1 LEU 2 -0.026 -1.937 11.959
16 HD13 LEU 2 3HD1 LEU 2 -1.000 -2.189 13.407
17 HD21 LEU 2 3HD2 LEU 2 -3.397 -4.447 12.185
18 HD22 LEU 2 1HD2 LEU 2 -3.850 -2.742 12.169
19 HD23 LEU 2 2HD2 LEU 2 -2.872 -3.387 13.488
20 H TYR 3 H TYR 3 -3.167 -1.467 8.521
21 HA TYR 3 HA TYR 3 -4.062 -2.332 5.887
22 HB2 TYR 3 1HB TYR 3 -4.555 -0.039 5.465
23 HB3 TYR 3 2HB TYR 3 -5.023 -0.332 7.137
24 HD1 TYR 3 HD1 TYR 3 -3.296 0.254 8.986
25 HD2 TYR 3 HD2 TYR 3 -3.026 1.673 4.942
26 HE1 TYR 3 HE1 TYR 3 -1.780 2.074 9.721
27 HE2 TYR 3 HE2 TYR 3 -1.509 3.486 5.674
28 HH TYR 3 HH TYR 3 -1.124 4.751 7.928
29 H GLU 4 H GLU 4 -1.625 -3.353 6.226
30 HA GLU 4 HA GLU 4 0.437 -1.573 5.226
31 HB2 GLU 4 1HB GLU 4 1.891 -3.518 5.394
32 HB3 GLU 4 2HB GLU 4 0.927 -3.376 6.866
33 HG2 GLU 4 1HG GLU 4 -0.682 -5.035 5.931
34 HG3 GLU 4 2HG GLU 4 0.372 -5.236 4.532
35 H ASN 5 H ASN 5 -2.075 -2.377 3.666
36 HA ASN 5 HA ASN 5 -0.808 -3.573 1.279
37 HB2 ASN 5 1HB ASN 5 -3.113 -3.878 0.473
38 HB3 ASN 5 2HB ASN 5 -2.881 -4.640 2.046
39 HD21 ASN 5 2HD2 ASN 5 -5.302 -4.399 2.288
40 HD22 ASN 5 1HD2 ASN 5 -5.924 -2.900 2.790
41 H LYS 6 H LYS 6 -1.029 -0.604 2.495
42 HA LYS 6 HA LYS 6 -2.094 0.770 0.152
43 HB2 LYS 6 1HB LYS 6 -2.378 1.542 2.599
44 HB3 LYS 6 2HB LYS 6 -0.715 2.106 2.474
45 HG2 LYS 6 1HG LYS 6 -1.334 3.442 0.475
46 HG3 LYS 6 2HG LYS 6 -3.010 2.925 0.674
47 HD2 LYS 6 1HD LYS 6 -3.153 4.004 2.838
48 HD3 LYS 6 2HD LYS 6 -1.427 4.368 2.817
49 HE2 LYS 6 1HE LYS 6 -2.824 6.337 2.194
50 HE3 LYS 6 2HE LYS 6 -1.723 5.854 0.903
51 HZ1 LYS 6 3HZ LYS 6 -3.429 5.444 -0.428
52 HZ2 LYS 6 1HZ LYS 6 -4.459 6.124 0.736
53 HZ3 LYS 6 2HZ LYS 6 -4.181 4.448 0.725
54 HA PRO 7 HA PRO 7 2.480 1.797 -0.343
55 HB2 PRO 7 1HB PRO 7 4.388 0.580 1.121
56 HB3 PRO 7 2HB PRO 7 3.408 1.897 1.801
57 HG2 PRO 7 1HG PRO 7 3.229 -1.030 2.281
58 HG3 PRO 7 2HG PRO 7 2.887 0.316 3.380
59 HD2 PRO 7 1HD PRO 7 0.972 -1.178 1.877
60 HD3 PRO 7 2HD PRO 7 0.662 0.306 2.800
61 H ARG 8 H ARG 8 1.058 -1.061 -0.596
62 HA ARG 8 HA ARG 8 3.193 -2.529 -1.988
63 HB2 ARG 8 1HB ARG 8 1.493 -3.714 -0.524
64 HB3 ARG 8 2HB ARG 8 0.262 -3.232 -1.695
65 HG2 ARG 8 1HG ARG 8 1.434 -4.428 -3.475
66 HG3 ARG 8 2HG ARG 8 2.727 -4.865 -2.359
67 HD2 ARG 8 1HD ARG 8 1.247 -6.760 -2.531
68 HD3 ARG 8 2HD ARG 8 1.012 -6.037 -0.943
69 HE ARG 8 HE ARG 8 -0.833 -4.938 -2.813
70 HH11 ARG 8 1HH2 ARG 8 -0.096 -7.756 -0.945
71 HH12 ARG 8 2HH2 ARG 8 -1.736 -8.310 -0.875
72 HH21 ARG 8 1HH1 ARG 8 -2.986 -5.666 -2.741
73 HH22 ARG 8 2HH1 ARG 8 -3.371 -7.133 -1.904
74 H ARG 9 H ARG 9 0.337 -0.664 -2.367
75 HA ARG 9 HA ARG 9 0.648 -0.629 -5.312
76 HB2 ARG 9 1HB ARG 9 -1.878 0.039 -5.190
77 HB3 ARG 9 2HB ARG 9 -1.441 -1.664 -5.034
78 HG2 ARG 9 1HG ARG 9 -1.551 -1.502 -2.592
79 HG3 ARG 9 2HG ARG 9 -1.905 0.222 -2.704
80 HD2 ARG 9 1HD ARG 9 -4.002 -0.899 -2.390
81 HD3 ARG 9 2HD ARG 9 -3.943 -0.386 -4.073
82 HE ARG 9 HE ARG 9 -2.919 -2.954 -4.056
83 HH11 ARG 9 1HH2 ARG 9 -5.828 -1.359 -3.072
84 HH12 ARG 9 2HH2 ARG 9 -6.844 -2.733 -3.357
85 HH21 ARG 9 1HH1 ARG 9 -4.244 -4.759 -4.439
86 HH22 ARG 9 2HH1 ARG 9 -5.946 -4.659 -4.131
87 HA PRO 10 HA PRO 10 1.494 3.483 -3.377
88 HB2 PRO 10 1HB PRO 10 3.130 3.848 -5.850
89 HB3 PRO 10 2HB PRO 10 3.585 4.095 -4.152
90 HG2 PRO 10 1HG PRO 10 4.487 2.002 -5.555
91 HG3 PRO 10 2HG PRO 10 4.106 1.871 -3.829
92 HD2 PRO 10 1HD PRO 10 2.493 0.942 -6.193
93 HD3 PRO 10 2HD PRO 10 2.743 0.156 -4.618
94 H TYR 11 H TYR 11 0.643 5.525 -3.921
95 HA TYR 11 HA TYR 11 -1.558 5.607 -5.657
96 HB2 TYR 11 1HB TYR 11 -1.331 7.176 -3.805
97 HB3 TYR 11 2HB TYR 11 0.106 7.881 -4.546
98 HD1 TYR 11 HD2 TYR 11 -3.538 7.277 -5.101
99 HD2 TYR 11 HD1 TYR 11 -0.089 9.605 -6.161
100 HE1 TYR 11 HE2 TYR 11 -4.977 8.808 -6.417
101 HE2 TYR 11 HE1 TYR 11 -1.527 11.136 -7.477
102 HH TYR 11 HH TYR 11 -4.590 10.408 -8.441
103 H ILE 12 H ILE 12 1.790 6.685 -6.084
104 HA ILE 12 HA ILE 12 1.276 7.469 -8.862
105 HB ILE 12 HB ILE 12 3.632 8.213 -8.818
106 HG12 ILE 12 1HG1 ILE 12 3.575 7.306 -5.922
107 HG13 ILE 12 2HG1 ILE 12 4.432 6.460 -7.210
108 HG21 ILE 12 1HG2 ILE 12 1.677 9.612 -7.956
109 HG22 ILE 12 2HG2 ILE 12 3.276 10.087 -7.379
110 HG23 ILE 12 3HG2 ILE 12 2.199 9.164 -6.331
111 HD11 ILE 12 3HD1 ILE 12 5.762 8.503 -7.653
112 HD12 ILE 12 1HD1 ILE 12 5.976 7.925 -5.999
113 HD13 ILE 12 2HD1 ILE 12 4.937 9.313 -6.321
114 H LEU 13 H LEU 13 1.616 4.631 -7.404
115 HA LEU 13 HA LEU 13 2.309 2.533 -8.031
116 HB2 LEU 13 1HB LEU 13 2.548 3.794 -10.772
117 HB3 LEU 13 2HB LEU 13 2.471 2.071 -10.422
118 HG LEU 13 HG LEU 13 0.285 4.062 -9.740
119 HD11 LEU 13 1HD1 LEU 13 -0.914 3.179 -11.642
120 HD12 LEU 13 2HD1 LEU 13 0.330 1.962 -11.925
121 HD13 LEU 13 3HD1 LEU 13 0.685 3.666 -12.206
122 HD21 LEU 13 3HD2 LEU 13 -0.997 1.778 -9.604
123 HD22 LEU 13 1HD2 LEU 13 0.023 2.250 -8.249
124 HD23 LEU 13 2HD2 LEU 13 0.608 1.072 -9.423
Start of MODEL 28
1 H1 GLU 1 1H GLU 1 -0.401 -7.529 7.089
2 H2 GLU 1 2H GLU 1 -1.982 -8.067 6.777
3 H3 GLU 1 3H GLU 1 -0.790 -9.169 7.282
4 HA GLU 1 HA GLU 1 -1.831 -8.866 9.260
5 HB2 GLU 1 1HB GLU 1 0.114 -6.555 9.010
6 HB3 GLU 1 2HB GLU 1 -0.592 -7.079 10.540
7 HG2 GLU 1 1HG GLU 1 0.373 -9.312 10.252
8 HG3 GLU 1 2HG GLU 1 1.023 -8.848 8.680
9 H LEU 2 H LEU 2 -1.345 -5.419 9.002
10 HA LEU 2 HA LEU 2 -4.257 -4.991 9.293
11 HB2 LEU 2 1HB LEU 2 -1.977 -3.057 9.781
12 HB3 LEU 2 2HB LEU 2 -3.671 -2.823 10.205
13 HG LEU 2 HG LEU 2 -1.865 -4.989 11.321
14 HD11 LEU 2 1HD1 LEU 2 -2.903 -2.374 12.437
15 HD12 LEU 2 2HD1 LEU 2 -1.223 -2.879 12.256
16 HD13 LEU 2 3HD1 LEU 2 -2.253 -3.657 13.459
17 HD21 LEU 2 3HD2 LEU 2 -3.919 -5.091 12.967
18 HD22 LEU 2 1HD2 LEU 2 -4.023 -5.916 11.415
19 HD23 LEU 2 2HD2 LEU 2 -4.800 -4.348 11.632
20 H TYR 3 H TYR 3 -3.813 -2.137 8.567
21 HA TYR 3 HA TYR 3 -4.260 -2.427 5.705
22 HB2 TYR 3 1HB TYR 3 -5.726 -0.975 7.047
23 HB3 TYR 3 2HB TYR 3 -4.340 0.017 7.496
24 HD1 TYR 3 HD2 TYR 3 -6.128 -1.307 4.480
25 HD2 TYR 3 HD1 TYR 3 -3.757 1.858 6.153
26 HE1 TYR 3 HE2 TYR 3 -6.406 0.003 2.393
27 HE2 TYR 3 HE1 TYR 3 -4.033 3.170 4.068
28 HH TYR 3 HH TYR 3 -4.520 2.638 1.613
29 H GLU 4 H GLU 4 -1.604 -2.990 6.678
30 HA GLU 4 HA GLU 4 0.060 -0.715 5.951
31 HB2 GLU 4 1HB GLU 4 0.695 -3.562 6.752
32 HB3 GLU 4 2HB GLU 4 1.925 -2.360 6.350
33 HG2 GLU 4 1HG GLU 4 1.127 -0.899 8.137
34 HG3 GLU 4 2HG GLU 4 -0.177 -2.026 8.508
35 H ASN 5 H ASN 5 -1.807 -2.314 4.073
36 HA ASN 5 HA ASN 5 0.139 -3.155 2.023
37 HB2 ASN 5 1HB ASN 5 -1.744 -4.159 0.891
38 HB3 ASN 5 2HB ASN 5 -1.790 -4.646 2.585
39 HD21 ASN 5 2HD2 ASN 5 -4.161 -4.691 1.016
40 HD22 ASN 5 1HD2 ASN 5 -5.210 -3.480 1.576
41 H LYS 6 H LYS 6 -0.574 -0.336 2.910
42 HA LYS 6 HA LYS 6 -1.876 0.812 0.584
43 HB2 LYS 6 1HB LYS 6 -2.286 1.751 2.811
44 HB3 LYS 6 2HB LYS 6 -0.578 2.132 2.981
45 HG2 LYS 6 1HG LYS 6 -1.861 3.194 0.503
46 HG3 LYS 6 2HG LYS 6 -2.449 3.898 2.005
47 HD2 LYS 6 1HD LYS 6 0.520 3.646 1.528
48 HD3 LYS 6 2HD LYS 6 -0.381 4.985 0.820
49 HE2 LYS 6 1HE LYS 6 -0.985 5.852 2.927
50 HE3 LYS 6 2HE LYS 6 -0.636 4.336 3.755
51 HZ1 LYS 6 3HZ LYS 6 1.437 4.990 4.080
52 HZ2 LYS 6 1HZ LYS 6 1.067 6.495 3.390
53 HZ3 LYS 6 2HZ LYS 6 1.672 5.240 2.417
54 HA PRO 7 HA PRO 7 2.530 2.266 -0.293
55 HB2 PRO 7 1HB PRO 7 4.661 1.114 0.897
56 HB3 PRO 7 2HB PRO 7 3.702 2.359 1.723
57 HG2 PRO 7 1HG PRO 7 3.726 -0.586 2.132
58 HG3 PRO 7 2HG PRO 7 3.456 0.714 3.305
59 HD2 PRO 7 1HD PRO 7 1.443 -0.838 2.027
60 HD3 PRO 7 2HD PRO 7 1.179 0.635 2.984
61 H ARG 8 H ARG 8 1.281 -0.698 -0.437
62 HA ARG 8 HA ARG 8 3.285 -1.958 -2.182
63 HB2 ARG 8 1HB ARG 8 1.964 -3.339 -0.536
64 HB3 ARG 8 2HB ARG 8 0.506 -2.900 -1.434
65 HG2 ARG 8 1HG ARG 8 1.404 -3.925 -3.463
66 HG3 ARG 8 2HG ARG 8 2.907 -4.313 -2.627
67 HD2 ARG 8 1HD ARG 8 0.189 -5.320 -1.751
68 HD3 ARG 8 2HD ARG 8 1.285 -6.238 -2.779
69 HE ARG 8 HE ARG 8 2.705 -5.444 -0.487
70 HH11 ARG 8 1HH2 ARG 8 0.033 -7.440 -1.415
71 HH12 ARG 8 2HH2 ARG 8 0.271 -8.589 -0.141
72 HH21 ARG 8 1HH1 ARG 8 3.020 -6.945 1.186
73 HH22 ARG 8 2HH1 ARG 8 1.957 -8.304 1.338
74 H ARG 9 H ARG 9 0.349 -0.224 -2.068
75 HA ARG 9 HA ARG 9 0.115 -0.223 -5.018
76 HB2 ARG 9 1HB ARG 9 -2.107 0.159 -2.999
77 HB3 ARG 9 2HB ARG 9 -2.275 0.097 -4.753
78 HG2 ARG 9 1HG ARG 9 -1.380 -2.232 -4.721
79 HG3 ARG 9 2HG ARG 9 -1.342 -2.162 -2.958
80 HD2 ARG 9 1HD ARG 9 -3.739 -2.117 -4.785
81 HD3 ARG 9 2HD ARG 9 -3.409 -3.198 -3.434
82 HE ARG 9 HE ARG 9 -4.550 -0.538 -3.281
83 HH11 ARG 9 1HH2 ARG 9 -2.857 -3.086 -1.666
84 HH12 ARG 9 2HH2 ARG 9 -3.321 -2.574 -0.077
85 HH21 ARG 9 1HH1 ARG 9 -5.162 0.141 -1.201
86 HH22 ARG 9 2HH1 ARG 9 -4.624 -0.746 0.186
87 HA PRO 10 HA PRO 10 0.937 3.974 -3.124
88 HB2 PRO 10 1HB PRO 10 3.058 4.714 -4.698
89 HB3 PRO 10 2HB PRO 10 3.243 3.768 -3.206
90 HG2 PRO 10 1HG PRO 10 3.203 2.834 -6.044
91 HG3 PRO 10 2HG PRO 10 4.255 2.330 -4.708
92 HD2 PRO 10 1HD PRO 10 2.091 0.859 -5.510
93 HD3 PRO 10 2HD PRO 10 2.673 0.882 -3.828
94 H TYR 11 H TYR 11 0.689 6.127 -4.196
95 HA TYR 11 HA TYR 11 -1.325 6.182 -6.120
96 HB2 TYR 11 1HB TYR 11 -0.836 8.114 -4.717
97 HB3 TYR 11 2HB TYR 11 0.749 8.293 -5.470
98 HD1 TYR 11 HD1 TYR 11 -2.915 8.311 -6.197
99 HD2 TYR 11 HD2 TYR 11 1.003 9.508 -7.488
100 HE1 TYR 11 HE1 TYR 11 -3.927 9.686 -7.995
101 HE2 TYR 11 HE2 TYR 11 -0.009 10.884 -9.286
102 HH TYR 11 HH TYR 11 -3.336 11.623 -9.379
103 H ILE 12 H ILE 12 2.190 6.545 -6.515
104 HA ILE 12 HA ILE 12 2.102 6.872 -9.341
105 HB ILE 12 HB ILE 12 4.034 7.628 -8.082
106 HG12 ILE 12 1HG1 ILE 12 4.861 5.263 -9.783
107 HG13 ILE 12 2HG1 ILE 12 4.267 6.780 -10.459
108 HG21 ILE 12 1HG2 ILE 12 4.303 4.701 -7.350
109 HG22 ILE 12 2HG2 ILE 12 4.120 6.076 -6.262
110 HG23 ILE 12 3HG2 ILE 12 5.616 5.863 -7.166
111 HD11 ILE 12 3HD1 ILE 12 6.616 6.607 -8.554
112 HD12 ILE 12 1HD1 ILE 12 6.091 8.016 -9.475
113 HD13 ILE 12 2HD1 ILE 12 6.785 6.625 -10.310
114 H LEU 13 H LEU 13 1.965 4.149 -7.231
115 HA LEU 13 HA LEU 13 1.728 1.901 -7.578
116 HB2 LEU 13 1HB LEU 13 1.020 2.819 -10.370
117 HB3 LEU 13 2HB LEU 13 0.887 1.159 -9.815
118 HG LEU 13 HG LEU 13 -0.492 3.480 -8.439
119 HD11 LEU 13 1HD1 LEU 13 -1.481 1.606 -10.605
120 HD12 LEU 13 2HD1 LEU 13 -1.381 3.366 -10.678
121 HD13 LEU 13 3HD1 LEU 13 -2.549 2.593 -9.607
122 HD21 LEU 13 3HD2 LEU 13 -0.460 1.679 -6.914
123 HD22 LEU 13 1HD2 LEU 13 -0.575 0.466 -8.187
124 HD23 LEU 13 2HD2 LEU 13 -1.987 1.423 -7.747
Start of MODEL 29
1 H1 GLU 1 1H GLU 1 0.160 -5.833 9.239
2 H2 GLU 1 2H GLU 1 1.316 -5.602 10.464
3 H3 GLU 1 3H GLU 1 0.242 -4.350 10.059
4 HA GLU 1 HA GLU 1 -0.429 -6.931 11.359
5 HB2 GLU 1 1HB GLU 1 0.556 -5.167 12.810
6 HB3 GLU 1 2HB GLU 1 -0.711 -4.055 12.286
7 HG2 GLU 1 1HG GLU 1 -2.430 -5.550 13.200
8 HG3 GLU 1 2HG GLU 1 -1.189 -6.705 13.681
9 H LEU 2 H LEU 2 -1.621 -3.877 9.979
10 HA LEU 2 HA LEU 2 -4.364 -4.996 9.856
11 HB2 LEU 2 1HB LEU 2 -3.425 -2.149 9.405
12 HB3 LEU 2 2HB LEU 2 -5.095 -2.702 9.495
13 HG LEU 2 HG LEU 2 -3.070 -2.894 11.746
14 HD11 LEU 2 1HD1 LEU 2 -5.341 -0.984 11.165
15 HD12 LEU 2 2HD1 LEU 2 -3.653 -0.596 11.493
16 HD13 LEU 2 3HD1 LEU 2 -4.686 -1.200 12.788
17 HD21 LEU 2 3HD2 LEU 2 -5.335 -3.324 13.013
18 HD22 LEU 2 1HD2 LEU 2 -4.584 -4.652 12.135
19 HD23 LEU 2 2HD2 LEU 2 -5.939 -3.779 11.421
20 H TYR 3 H TYR 3 -4.780 -2.819 7.725
21 HA TYR 3 HA TYR 3 -4.146 -4.559 5.468
22 HB2 TYR 3 1HB TYR 3 -5.605 -3.186 4.176
23 HB3 TYR 3 2HB TYR 3 -6.386 -3.392 5.739
24 HD1 TYR 3 HD2 TYR 3 -6.035 -1.537 7.510
25 HD2 TYR 3 HD1 TYR 3 -5.164 -1.031 3.334
26 HE1 TYR 3 HE2 TYR 3 -6.110 0.928 7.789
27 HE2 TYR 3 HE1 TYR 3 -5.235 1.426 3.611
28 HH TYR 3 HH TYR 3 -6.042 3.088 5.052
29 H GLU 4 H GLU 4 -1.847 -4.278 5.884
30 HA GLU 4 HA GLU 4 -0.650 -1.700 5.306
31 HB2 GLU 4 1HB GLU 4 1.490 -2.983 5.569
32 HB3 GLU 4 2HB GLU 4 0.417 -3.085 6.971
33 HG2 GLU 4 1HG GLU 4 -0.386 -5.265 6.260
34 HG3 GLU 4 2HG GLU 4 0.550 -5.165 4.768
35 H ASN 5 H ASN 5 -2.293 -2.721 3.252
36 HA ASN 5 HA ASN 5 -0.445 -3.602 1.134
37 HB2 ASN 5 1HB ASN 5 -3.460 -3.435 1.300
38 HB3 ASN 5 2HB ASN 5 -2.590 -3.831 -0.182
39 HD21 ASN 5 2HD2 ASN 5 -4.365 -5.712 1.070
40 HD22 ASN 5 1HD2 ASN 5 -3.435 -7.010 1.645
41 H LYS 6 H LYS 6 -0.708 -0.820 2.391
42 HA LYS 6 HA LYS 6 -1.731 0.820 0.237
43 HB2 LYS 6 1HB LYS 6 -0.194 1.573 2.733
44 HB3 LYS 6 2HB LYS 6 -0.960 2.705 1.622
45 HG2 LYS 6 1HG LYS 6 -3.139 1.960 2.177
46 HG3 LYS 6 2HG LYS 6 -2.533 0.485 2.930
47 HD2 LYS 6 1HD LYS 6 -3.255 2.226 4.591
48 HD3 LYS 6 2HD LYS 6 -1.566 1.751 4.765
49 HE2 LYS 6 1HE LYS 6 -0.789 3.739 3.717
50 HE3 LYS 6 2HE LYS 6 -2.393 4.130 3.094
51 HZ1 LYS 6 3HZ LYS 6 -2.324 3.831 5.947
52 HZ2 LYS 6 1HZ LYS 6 -2.973 5.084 5.006
53 HZ3 LYS 6 2HZ LYS 6 -1.319 5.083 5.392
54 HA PRO 7 HA PRO 7 2.871 1.572 -0.526
55 HB2 PRO 7 1HB PRO 7 4.753 -0.123 0.416
56 HB3 PRO 7 2HB PRO 7 4.047 1.145 1.441
57 HG2 PRO 7 1HG PRO 7 3.510 -1.781 1.414
58 HG3 PRO 7 2HG PRO 7 3.504 -0.645 2.774
59 HD2 PRO 7 1HD PRO 7 1.222 -1.578 1.365
60 HD3 PRO 7 2HD PRO 7 1.253 -0.227 2.517
61 H ARG 8 H ARG 8 1.157 -1.153 -1.016
62 HA ARG 8 HA ARG 8 2.893 -2.380 -3.050
63 HB2 ARG 8 1HB ARG 8 1.460 -3.804 -1.528
64 HB3 ARG 8 2HB ARG 8 0.044 -3.065 -2.284
65 HG2 ARG 8 1HG ARG 8 0.777 -3.879 -4.487
66 HG3 ARG 8 2HG ARG 8 2.199 -4.616 -3.750
67 HD2 ARG 8 1HD ARG 8 0.489 -6.322 -4.044
68 HD3 ARG 8 2HD ARG 8 0.695 -6.004 -2.325
69 HE ARG 8 HE ARG 8 -1.360 -4.345 -3.358
70 HH11 ARG 8 1HH2 ARG 8 -0.612 -7.639 -2.605
71 HH12 ARG 8 2HH2 ARG 8 -2.252 -8.076 -2.255
72 HH21 ARG 8 1HH1 ARG 8 -3.512 -4.910 -2.900
73 HH22 ARG 8 2HH1 ARG 8 -3.894 -6.531 -2.423
74 H ARG 9 H ARG 9 0.234 -0.321 -2.500
75 HA ARG 9 HA ARG 9 -0.150 0.146 -5.396
76 HB2 ARG 9 1HB ARG 9 -2.206 0.547 -3.218
77 HB3 ARG 9 2HB ARG 9 -2.460 0.651 -4.960
78 HG2 ARG 9 1HG ARG 9 -1.949 -1.732 -5.205
79 HG3 ARG 9 2HG ARG 9 -1.618 -1.855 -3.477
80 HD2 ARG 9 1HD ARG 9 -3.872 -2.645 -3.864
81 HD3 ARG 9 2HD ARG 9 -3.967 -1.094 -3.035
82 HE ARG 9 HE ARG 9 -4.053 -0.554 -5.771
83 HH11 ARG 9 1HH2 ARG 9 -5.874 -2.263 -3.374
84 HH12 ARG 9 2HH2 ARG 9 -7.397 -2.026 -4.165
85 HH21 ARG 9 1HH1 ARG 9 -6.047 -0.238 -6.811
86 HH22 ARG 9 2HH1 ARG 9 -7.495 -0.879 -6.110
87 HA PRO 10 HA PRO 10 1.331 3.870 -2.975
88 HB2 PRO 10 1HB PRO 10 3.430 4.578 -4.599
89 HB3 PRO 10 2HB PRO 10 3.582 3.402 -3.277
90 HG2 PRO 10 1HG PRO 10 3.216 2.914 -6.203
91 HG3 PRO 10 2HG PRO 10 4.300 2.104 -5.057
92 HD2 PRO 10 1HD PRO 10 1.933 1.003 -5.833
93 HD3 PRO 10 2HD PRO 10 2.609 0.750 -4.205
94 H TYR 11 H TYR 11 1.281 6.174 -3.693
95 HA TYR 11 HA TYR 11 -0.820 6.764 -5.418
96 HB2 TYR 11 1HB TYR 11 1.560 8.500 -4.709
97 HB3 TYR 11 2HB TYR 11 0.062 9.080 -5.435
98 HD1 TYR 11 HD1 TYR 11 -2.112 8.806 -4.183
99 HD2 TYR 11 HD2 TYR 11 1.708 8.056 -2.367
100 HE1 TYR 11 HE1 TYR 11 -3.150 8.959 -1.937
101 HE2 TYR 11 HE2 TYR 11 0.669 8.209 -0.119
102 HH TYR 11 HH TYR 11 -2.791 8.366 0.297
103 H ILE 12 H ILE 12 2.667 6.691 -6.055
104 HA ILE 12 HA ILE 12 2.466 7.440 -8.801
105 HB ILE 12 HB ILE 12 4.673 5.878 -7.448
106 HG12 ILE 12 1HG1 ILE 12 4.260 7.915 -6.180
107 HG13 ILE 12 2HG1 ILE 12 5.731 8.123 -7.127
108 HG21 ILE 12 1HG2 ILE 12 6.050 7.028 -9.223
109 HG22 ILE 12 2HG2 ILE 12 4.539 7.568 -9.955
110 HG23 ILE 12 3HG2 ILE 12 4.898 5.844 -9.846
111 HD11 ILE 12 3HD1 ILE 12 4.590 10.133 -7.520
112 HD12 ILE 12 1HD1 ILE 12 3.015 9.348 -7.558
113 HD13 ILE 12 2HD1 ILE 12 4.122 9.173 -8.920
114 H LEU 13 H LEU 13 2.029 4.502 -7.056
115 HA LEU 13 HA LEU 13 1.485 2.366 -7.677
116 HB2 LEU 13 1HB LEU 13 0.754 3.742 -10.270
117 HB3 LEU 13 2HB LEU 13 0.391 2.064 -9.895
118 HG LEU 13 HG LEU 13 -0.510 4.374 -8.155
119 HD11 LEU 13 1HD1 LEU 13 -2.685 4.197 -9.254
120 HD12 LEU 13 2HD1 LEU 13 -2.078 2.915 -10.303
121 HD13 LEU 13 3HD1 LEU 13 -1.443 4.554 -10.456
122 HD21 LEU 13 3HD2 LEU 13 -0.670 2.388 -6.877
123 HD22 LEU 13 1HD2 LEU 13 -1.099 1.408 -8.278
124 HD23 LEU 13 2HD2 LEU 13 -2.275 2.520 -7.583
Start of MODEL 30
1 H1 GLU 1 1H GLU 1 -1.578 -9.115 9.495
2 H2 GLU 1 2H GLU 1 -0.713 -7.921 8.652
3 H3 GLU 1 3H GLU 1 -2.368 -8.151 8.347
4 HA GLU 1 HA GLU 1 -2.252 -7.698 11.041
5 HB2 GLU 1 1HB GLU 1 -0.393 -5.855 9.507
6 HB3 GLU 1 2HB GLU 1 -1.023 -5.514 11.117
7 HG2 GLU 1 1HG GLU 1 0.573 -7.991 10.415
8 HG3 GLU 1 2HG GLU 1 1.264 -6.539 11.137
9 H LEU 2 H LEU 2 -1.986 -4.664 9.767
10 HA LEU 2 HA LEU 2 -4.891 -4.486 9.256
11 HB2 LEU 2 1HB LEU 2 -2.857 -2.296 9.759
12 HB3 LEU 2 2HB LEU 2 -4.608 -2.101 9.688
13 HG LEU 2 HG LEU 2 -3.162 -3.849 11.703
14 HD11 LEU 2 1HD1 LEU 2 -3.939 -1.998 13.291
15 HD12 LEU 2 2HD1 LEU 2 -4.242 -1.025 11.851
16 HD13 LEU 2 3HD1 LEU 2 -2.606 -1.578 12.212
17 HD21 LEU 2 3HD2 LEU 2 -6.053 -3.083 11.238
18 HD22 LEU 2 1HD2 LEU 2 -5.492 -3.558 12.839
19 HD23 LEU 2 2HD2 LEU 2 -5.370 -4.689 11.495
20 H TYR 3 H TYR 3 -4.206 -1.801 7.985
21 HA TYR 3 HA TYR 3 -4.053 -2.802 5.251
22 HB2 TYR 3 1HB TYR 3 -5.553 -0.848 6.319
23 HB3 TYR 3 2HB TYR 3 -4.163 0.136 5.878
24 HD1 TYR 3 HD1 TYR 3 -3.174 -0.659 3.405
25 HD2 TYR 3 HD2 TYR 3 -7.262 -0.859 4.718
26 HE1 TYR 3 HE1 TYR 3 -3.935 -0.625 1.047
27 HE2 TYR 3 HE2 TYR 3 -8.020 -0.828 2.358
28 HH TYR 3 HH TYR 3 -6.151 0.116 -0.158
29 H GLU 4 H GLU 4 -1.775 -3.527 6.038
30 HA GLU 4 HA GLU 4 0.250 -1.436 5.921
31 HB2 GLU 4 1HB GLU 4 1.833 -3.268 6.329
32 HB3 GLU 4 2HB GLU 4 0.517 -3.299 7.505
33 HG2 GLU 4 1HG GLU 4 -0.634 -5.026 6.152
34 HG3 GLU 4 2HG GLU 4 0.708 -5.017 5.009
35 H ASN 5 H ASN 5 -1.539 -3.077 3.704
36 HA ASN 5 HA ASN 5 0.576 -3.433 1.703
37 HB2 ASN 5 1HB ASN 5 -2.394 -4.004 1.713
38 HB3 ASN 5 2HB ASN 5 -1.371 -4.230 0.294
39 HD21 ASN 5 2HD2 ASN 5 -2.778 -6.352 1.855
40 HD22 ASN 5 1HD2 ASN 5 -1.563 -7.389 2.431
41 H LYS 6 H LYS 6 0.009 -0.807 2.726
42 HA LYS 6 HA LYS 6 -1.476 0.622 0.688
43 HB2 LYS 6 1HB LYS 6 -0.850 1.060 3.382
44 HB3 LYS 6 2HB LYS 6 0.138 2.247 2.546
45 HG2 LYS 6 1HG LYS 6 -2.825 1.916 1.971
46 HG3 LYS 6 2HG LYS 6 -2.223 2.983 3.232
47 HD2 LYS 6 1HD LYS 6 -1.033 3.229 0.481
48 HD3 LYS 6 2HD LYS 6 -2.637 3.898 0.764
49 HE2 LYS 6 1HE LYS 6 -1.852 5.427 2.378
50 HE3 LYS 6 2HE LYS 6 -0.357 4.526 2.636
51 HZ1 LYS 6 3HZ LYS 6 -1.007 6.477 0.609
52 HZ2 LYS 6 1HZ LYS 6 -0.224 5.094 0.017
53 HZ3 LYS 6 2HZ LYS 6 0.505 6.022 1.239
54 HA PRO 7 HA PRO 7 2.892 2.044 -0.462
55 HB2 PRO 7 1HB PRO 7 5.082 0.825 0.585
56 HB3 PRO 7 2HB PRO 7 4.202 2.097 1.455
57 HG2 PRO 7 1HG PRO 7 4.207 -0.836 1.903
58 HG3 PRO 7 2HG PRO 7 3.972 0.483 3.061
59 HD2 PRO 7 1HD PRO 7 1.931 -1.097 1.851
60 HD3 PRO 7 2HD PRO 7 1.689 0.365 2.831
61 H ARG 8 H ARG 8 1.649 -0.933 -0.686
62 HA ARG 8 HA ARG 8 3.611 -2.051 -2.575
63 HB2 ARG 8 1HB ARG 8 0.942 -3.107 -1.589
64 HB3 ARG 8 2HB ARG 8 2.012 -3.951 -2.708
65 HG2 ARG 8 1HG ARG 8 3.789 -3.994 -1.011
66 HG3 ARG 8 2HG ARG 8 2.756 -3.104 0.109
67 HD2 ARG 8 1HD ARG 8 2.641 -5.479 0.645
68 HD3 ARG 8 2HD ARG 8 1.093 -4.955 -0.011
69 HE ARG 8 HE ARG 8 1.489 -6.254 -1.918
70 HH11 ARG 8 1HH2 ARG 8 4.300 -6.021 0.093
71 HH12 ARG 8 2HH2 ARG 8 5.146 -7.301 -0.709
72 HH21 ARG 8 1HH1 ARG 8 2.608 -7.922 -2.985
73 HH22 ARG 8 2HH1 ARG 8 4.194 -8.369 -2.453
74 H ARG 9 H ARG 9 0.632 -0.428 -2.247
75 HA ARG 9 HA ARG 9 0.290 -0.220 -5.184
76 HB2 ARG 9 1HB ARG 9 -1.789 -0.316 -2.985
77 HB3 ARG 9 2HB ARG 9 -2.143 0.174 -4.642
78 HG2 ARG 9 1HG ARG 9 -1.370 -2.000 -5.476
79 HG3 ARG 9 2HG ARG 9 -0.949 -2.495 -3.836
80 HD2 ARG 9 1HD ARG 9 -3.342 -2.185 -3.180
81 HD3 ARG 9 2HD ARG 9 -3.720 -1.829 -4.864
82 HE ARG 9 HE ARG 9 -2.345 -4.319 -4.644
83 HH11 ARG 9 1HH2 ARG 9 -5.391 -2.751 -4.128
84 HH12 ARG 9 2HH2 ARG 9 -6.325 -4.192 -4.351
85 HH21 ARG 9 1HH1 ARG 9 -3.571 -6.205 -4.961
86 HH22 ARG 9 2HH1 ARG 9 -5.295 -6.145 -4.818
87 HA PRO 10 HA PRO 10 1.064 3.841 -3.101
88 HB2 PRO 10 1HB PRO 10 3.047 4.778 -4.717
89 HB3 PRO 10 2HB PRO 10 3.363 3.644 -3.387
90 HG2 PRO 10 1HG PRO 10 3.101 3.100 -6.314
91 HG3 PRO 10 2HG PRO 10 4.252 2.432 -5.141
92 HD2 PRO 10 1HD PRO 10 1.982 1.101 -5.983
93 HD3 PRO 10 2HD PRO 10 2.767 0.815 -4.411
94 H TYR 11 H TYR 11 0.545 6.016 -3.882
95 HA TYR 11 HA TYR 11 -1.555 6.137 -5.702
96 HB2 TYR 11 1HB TYR 11 -0.998 7.910 -4.028
97 HB3 TYR 11 2HB TYR 11 0.356 8.396 -5.051
98 HD1 TYR 11 HD1 TYR 11 -3.338 7.846 -5.099
99 HD2 TYR 11 HD2 TYR 11 0.001 9.897 -6.860
100 HE1 TYR 11 HE1 TYR 11 -4.894 9.201 -6.468
101 HE2 TYR 11 HE2 TYR 11 -1.559 11.255 -8.230
102 HH TYR 11 HH TYR 11 -4.891 10.484 -8.518
103 H ILE 12 H ILE 12 1.915 6.660 -6.193
104 HA ILE 12 HA ILE 12 1.755 7.472 -8.903
105 HB ILE 12 HB ILE 12 4.012 5.970 -7.557
106 HG12 ILE 12 1HG1 ILE 12 3.433 7.924 -6.217
107 HG13 ILE 12 2HG1 ILE 12 4.930 8.244 -7.088
108 HG21 ILE 12 1HG2 ILE 12 5.377 7.257 -9.233
109 HG22 ILE 12 2HG2 ILE 12 3.866 7.780 -9.979
110 HG23 ILE 12 3HG2 ILE 12 4.291 6.070 -9.955
111 HD11 ILE 12 3HD1 ILE 12 2.193 9.395 -7.528
112 HD12 ILE 12 1HD1 ILE 12 3.286 9.275 -8.904
113 HD13 ILE 12 2HD1 ILE 12 3.752 10.215 -7.489
114 H LEU 13 H LEU 13 2.212 4.330 -7.340
115 HA LEU 13 HA LEU 13 1.699 2.211 -8.030
116 HB2 LEU 13 1HB LEU 13 -0.219 3.516 -9.232
117 HB3 LEU 13 2HB LEU 13 0.727 3.227 -10.686
118 HG LEU 13 HG LEU 13 -0.898 1.451 -10.462
119 HD11 LEU 13 1HD1 LEU 13 1.530 0.948 -11.141
120 HD12 LEU 13 2HD1 LEU 13 0.521 -0.419 -10.676
121 HD13 LEU 13 3HD1 LEU 13 1.699 0.231 -9.537
122 HD21 LEU 13 3HD2 LEU 13 0.242 0.426 -7.885
123 HD22 LEU 13 1HD2 LEU 13 -1.390 0.293 -8.532
124 HD23 LEU 13 2HD2 LEU 13 -0.858 1.800 -7.795
Start of MODEL 31
1 H1 GLU 1 1H GLU 1 -1.863 -7.714 9.148
2 H2 GLU 1 2H GLU 1 -0.953 -6.319 9.482
3 H3 GLU 1 3H GLU 1 -0.186 -7.718 8.897
4 HA GLU 1 HA GLU 1 -0.444 -6.019 7.167
5 HB2 GLU 1 1HB GLU 1 -2.029 -8.587 6.871
6 HB3 GLU 1 2HB GLU 1 -1.570 -7.552 5.520
7 HG2 GLU 1 1HG GLU 1 0.798 -7.847 6.054
8 HG3 GLU 1 2HG GLU 1 0.378 -8.808 7.471
9 H LEU 2 H LEU 2 -1.987 -4.672 8.836
10 HA LEU 2 HA LEU 2 -4.782 -4.713 8.041
11 HB2 LEU 2 1HB LEU 2 -3.211 -2.848 9.836
12 HB3 LEU 2 2HB LEU 2 -4.953 -2.763 9.589
13 HG LEU 2 HG LEU 2 -3.516 -5.236 10.601
14 HD11 LEU 2 1HD1 LEU 2 -4.823 -2.941 12.072
15 HD12 LEU 2 2HD1 LEU 2 -3.195 -3.586 12.290
16 HD13 LEU 2 3HD1 LEU 2 -4.593 -4.524 12.814
17 HD21 LEU 2 3HD2 LEU 2 -5.597 -5.968 9.787
18 HD22 LEU 2 1HD2 LEU 2 -6.407 -4.455 10.197
19 HD23 LEU 2 2HD2 LEU 2 -5.983 -5.604 11.464
20 H TYR 3 H TYR 3 -3.020 -1.717 8.439
21 HA TYR 3 HA TYR 3 -4.007 -0.800 5.832
22 HB2 TYR 3 1HB TYR 3 -4.358 0.623 7.821
23 HB3 TYR 3 2HB TYR 3 -2.613 0.721 8.050
24 HD1 TYR 3 HD2 TYR 3 -5.370 1.502 5.673
25 HD2 TYR 3 HD1 TYR 3 -1.284 2.236 6.775
26 HE1 TYR 3 HE2 TYR 3 -5.264 3.364 4.040
27 HE2 TYR 3 HE1 TYR 3 -1.178 4.097 5.141
28 HH TYR 3 HH TYR 3 -2.911 4.523 2.725
29 H GLU 4 H GLU 4 -1.407 -2.476 6.759
30 HA GLU 4 HA GLU 4 0.666 -0.918 5.432
31 HB2 GLU 4 1HB GLU 4 0.651 -3.662 6.697
32 HB3 GLU 4 2HB GLU 4 2.070 -2.939 5.934
33 HG2 GLU 4 1HG GLU 4 1.963 -1.038 7.462
34 HG3 GLU 4 2HG GLU 4 0.496 -1.682 8.195
35 H ASN 5 H ASN 5 -1.819 -2.170 4.079
36 HA ASN 5 HA ASN 5 -0.478 -3.862 2.070
37 HB2 ASN 5 1HB ASN 5 -3.398 -3.265 2.592
38 HB3 ASN 5 2HB ASN 5 -2.808 -4.274 1.273
39 HD21 ASN 5 2HD2 ASN 5 -0.572 -5.353 3.048
40 HD22 ASN 5 1HD2 ASN 5 -1.344 -6.462 4.074
41 H LYS 6 H LYS 6 -0.882 -0.648 2.539
42 HA LYS 6 HA LYS 6 -1.715 -0.008 -0.207
43 HB2 LYS 6 1HB LYS 6 -0.848 2.039 1.822
44 HB3 LYS 6 2HB LYS 6 -1.963 2.212 0.472
45 HG2 LYS 6 1HG LYS 6 -2.439 0.650 3.022
46 HG3 LYS 6 2HG LYS 6 -3.263 2.122 2.508
47 HD2 LYS 6 1HD LYS 6 -3.959 0.772 0.413
48 HD3 LYS 6 2HD LYS 6 -3.477 -0.652 1.335
49 HE2 LYS 6 1HE LYS 6 -5.036 -0.015 3.141
50 HE3 LYS 6 2HE LYS 6 -5.517 1.411 2.220
51 HZ1 LYS 6 3HZ LYS 6 -5.775 -1.373 1.222
52 HZ2 LYS 6 1HZ LYS 6 -6.380 0.034 0.495
53 HZ3 LYS 6 2HZ LYS 6 -7.035 -0.509 1.965
54 HA PRO 7 HA PRO 7 2.864 1.612 0.002
55 HB2 PRO 7 1HB PRO 7 4.110 -0.533 1.657
56 HB3 PRO 7 2HB PRO 7 4.377 1.222 1.710
57 HG2 PRO 7 1HG PRO 7 3.020 -0.032 3.635
58 HG3 PRO 7 2HG PRO 7 2.553 1.588 3.084
59 HD2 PRO 7 1HD PRO 7 1.308 -1.063 2.387
60 HD3 PRO 7 2HD PRO 7 0.520 0.479 2.780
61 H ARG 8 H ARG 8 1.530 -1.449 -0.320
62 HA ARG 8 HA ARG 8 3.631 -2.529 -2.064
63 HB2 ARG 8 1HB ARG 8 0.916 -3.610 -1.255
64 HB3 ARG 8 2HB ARG 8 2.061 -4.452 -2.298
65 HG2 ARG 8 1HG ARG 8 3.733 -4.459 -0.501
66 HG3 ARG 8 2HG ARG 8 2.631 -3.567 0.547
67 HD2 ARG 8 1HD ARG 8 2.520 -5.931 1.112
68 HD3 ARG 8 2HD ARG 8 1.000 -5.443 0.367
69 HE ARG 8 HE ARG 8 2.756 -6.416 -1.631
70 HH11 ARG 8 1HH2 ARG 8 0.871 -7.440 1.084
71 HH12 ARG 8 2HH2 ARG 8 0.599 -9.037 0.468
72 HH21 ARG 8 1HH1 ARG 8 2.398 -8.500 -2.449
73 HH22 ARG 8 2HH1 ARG 8 1.464 -9.637 -1.534
74 H ARG 9 H ARG 9 0.700 -0.826 -2.021
75 HA ARG 9 HA ARG 9 0.593 -0.746 -4.981
76 HB2 ARG 9 1HB ARG 9 -1.367 -1.950 -3.921
77 HB3 ARG 9 2HB ARG 9 -1.769 -0.437 -3.108
78 HG2 ARG 9 1HG ARG 9 -2.050 0.698 -5.235
79 HG3 ARG 9 2HG ARG 9 -1.483 -0.724 -6.112
80 HD2 ARG 9 1HD ARG 9 -3.415 -2.003 -5.104
81 HD3 ARG 9 2HD ARG 9 -4.020 -0.471 -4.480
82 HE ARG 9 HE ARG 9 -4.614 0.151 -6.661
83 HH11 ARG 9 1HH2 ARG 9 -2.741 -2.760 -6.601
84 HH12 ARG 9 2HH2 ARG 9 -3.048 -3.153 -8.260
85 HH21 ARG 9 1HH1 ARG 9 -5.019 -0.359 -8.836
86 HH22 ARG 9 2HH1 ARG 9 -4.339 -1.796 -9.524
87 HA PRO 10 HA PRO 10 1.530 3.321 -2.997
88 HB2 PRO 10 1HB PRO 10 3.037 3.804 -5.524
89 HB3 PRO 10 2HB PRO 10 3.586 3.954 -3.843
90 HG2 PRO 10 1HG PRO 10 4.402 1.946 -5.424
91 HG3 PRO 10 2HG PRO 10 4.133 1.721 -3.684
92 HD2 PRO 10 1HD PRO 10 2.354 0.935 -5.983
93 HD3 PRO 10 2HD PRO 10 2.733 0.047 -4.494
94 H TYR 11 H TYR 11 0.579 5.370 -3.466
95 HA TYR 11 HA TYR 11 -1.708 5.429 -5.057
96 HB2 TYR 11 1HB TYR 11 0.063 7.669 -4.061
97 HB3 TYR 11 2HB TYR 11 -1.463 7.952 -4.899
98 HD1 TYR 11 HD2 TYR 11 -3.606 7.132 -3.918
99 HD2 TYR 11 HD1 TYR 11 0.117 6.884 -1.789
100 HE1 TYR 11 HE2 TYR 11 -4.841 6.767 -1.799
101 HE2 TYR 11 HE1 TYR 11 -1.119 6.519 0.329
102 HH TYR 11 HH TYR 11 -4.623 6.094 0.363
103 H ILE 12 H ILE 12 1.564 6.640 -5.781
104 HA ILE 12 HA ILE 12 0.932 7.502 -8.427
105 HB ILE 12 HB ILE 12 2.901 8.301 -7.091
106 HG12 ILE 12 1HG1 ILE 12 3.717 7.027 -9.716
107 HG13 ILE 12 2HG1 ILE 12 2.697 8.462 -9.623
108 HG21 ILE 12 1HG2 ILE 12 3.493 5.970 -6.286
109 HG22 ILE 12 2HG2 ILE 12 4.853 6.920 -6.880
110 HG23 ILE 12 3HG2 ILE 12 4.148 5.661 -7.893
111 HD11 ILE 12 3HD1 ILE 12 5.432 8.252 -8.338
112 HD12 ILE 12 1HD1 ILE 12 4.432 9.698 -8.472
113 HD13 ILE 12 2HD1 ILE 12 5.140 8.980 -9.918
114 H LEU 13 H LEU 13 2.213 4.551 -7.014
115 HA LEU 13 HA LEU 13 2.100 2.388 -7.776
116 HB2 LEU 13 1HB LEU 13 0.124 3.332 -9.206
117 HB3 LEU 13 2HB LEU 13 1.282 3.262 -10.532
118 HG LEU 13 HG LEU 13 0.526 0.937 -8.738
119 HD11 LEU 13 1HD1 LEU 13 -1.283 1.609 -10.273
120 HD12 LEU 13 2HD1 LEU 13 -0.592 0.061 -10.755
121 HD13 LEU 13 3HD1 LEU 13 -0.163 1.530 -11.632
122 HD21 LEU 13 3HD2 LEU 13 2.728 0.492 -9.447
123 HD22 LEU 13 1HD2 LEU 13 2.487 1.274 -11.011
124 HD23 LEU 13 2HD2 LEU 13 1.758 -0.299 -10.686
Start of MODEL 32
1 H1 GLU 1 1H GLU 1 -1.507 -7.822 9.020
2 H2 GLU 1 2H GLU 1 -0.787 -6.298 9.231
3 H3 GLU 1 3H GLU 1 0.134 -7.603 8.654
4 HA GLU 1 HA GLU 1 -0.415 -6.123 6.844
5 HB2 GLU 1 1HB GLU 1 -1.870 -8.783 6.864
6 HB3 GLU 1 2HB GLU 1 -1.615 -7.815 5.411
7 HG2 GLU 1 1HG GLU 1 0.806 -7.945 5.703
8 HG3 GLU 1 2HG GLU 1 0.600 -8.824 7.219
9 H LEU 2 H LEU 2 -2.005 -4.992 8.826
10 HA LEU 2 HA LEU 2 -4.791 -5.097 8.004
11 HB2 LEU 2 1HB LEU 2 -3.404 -3.237 9.950
12 HB3 LEU 2 2HB LEU 2 -5.145 -3.451 9.772
13 HG LEU 2 HG LEU 2 -3.203 -5.645 10.568
14 HD11 LEU 2 1HD1 LEU 2 -5.151 -3.995 12.210
15 HD12 LEU 2 2HD1 LEU 2 -3.394 -3.972 12.337
16 HD13 LEU 2 3HD1 LEU 2 -4.292 -5.416 12.803
17 HD21 LEU 2 3HD2 LEU 2 -5.518 -6.668 11.287
18 HD22 LEU 2 1HD2 LEU 2 -5.039 -6.749 9.594
19 HD23 LEU 2 2HD2 LEU 2 -6.188 -5.522 10.128
20 H TYR 3 H TYR 3 -2.803 -2.220 8.569
21 HA TYR 3 HA TYR 3 -3.941 -0.994 6.130
22 HB2 TYR 3 1HB TYR 3 -4.290 0.251 8.216
23 HB3 TYR 3 2HB TYR 3 -2.550 0.264 8.510
24 HD1 TYR 3 HD1 TYR 3 -5.167 1.333 6.071
25 HD2 TYR 3 HD2 TYR 3 -1.163 1.910 7.516
26 HE1 TYR 3 HE1 TYR 3 -4.944 3.351 4.647
27 HE2 TYR 3 HE2 TYR 3 -0.940 3.929 6.093
28 HH TYR 3 HH TYR 3 -2.232 4.675 3.749
29 H GLU 4 H GLU 4 -1.387 -2.798 6.817
30 HA GLU 4 HA GLU 4 0.731 -1.146 5.701
31 HB2 GLU 4 1HB GLU 4 0.618 -4.034 6.584
32 HB3 GLU 4 2HB GLU 4 2.064 -3.271 5.918
33 HG2 GLU 4 1HG GLU 4 2.038 -1.596 7.693
34 HG3 GLU 4 2HG GLU 4 0.540 -2.267 8.337
35 H ASN 5 H ASN 5 -1.798 -2.127 4.218
36 HA ASN 5 HA ASN 5 -0.501 -3.497 1.943
37 HB2 ASN 5 1HB ASN 5 -2.772 -3.964 1.178
38 HB3 ASN 5 2HB ASN 5 -2.575 -4.506 2.843
39 HD21 ASN 5 2HD2 ASN 5 -5.095 -4.243 2.678
40 HD22 ASN 5 1HD2 ASN 5 -5.713 -2.717 3.088
41 H LYS 6 H LYS 6 -0.706 -0.483 2.911
42 HA LYS 6 HA LYS 6 -1.847 0.749 0.530
43 HB2 LYS 6 1HB LYS 6 -2.327 1.891 2.550
44 HB3 LYS 6 2HB LYS 6 -0.651 1.856 3.074
45 HG2 LYS 6 1HG LYS 6 -1.122 3.207 0.450
46 HG3 LYS 6 2HG LYS 6 -1.824 4.018 1.844
47 HD2 LYS 6 1HD LYS 6 0.360 4.037 2.969
48 HD3 LYS 6 2HD LYS 6 1.087 3.186 1.608
49 HE2 LYS 6 1HE LYS 6 -0.290 5.876 1.387
50 HE3 LYS 6 2HE LYS 6 1.454 5.664 1.536
51 HZ1 LYS 6 3HZ LYS 6 -0.294 5.130 -0.723
52 HZ2 LYS 6 1HZ LYS 6 0.944 4.000 -0.459
53 HZ3 LYS 6 2HZ LYS 6 1.327 5.639 -0.698
54 HA PRO 7 HA PRO 7 2.706 1.724 -0.227
55 HB2 PRO 7 1HB PRO 7 4.677 0.455 1.105
56 HB3 PRO 7 2HB PRO 7 3.785 1.803 1.841
57 HG2 PRO 7 1HG PRO 7 3.540 -1.119 2.343
58 HG3 PRO 7 2HG PRO 7 3.342 0.239 3.464
59 HD2 PRO 7 1HD PRO 7 1.250 -1.171 2.149
60 HD3 PRO 7 2HD PRO 7 1.083 0.351 3.045
61 H ARG 8 H ARG 8 1.244 -1.167 -0.320
62 HA ARG 8 HA ARG 8 3.249 -2.594 -1.930
63 HB2 ARG 8 1HB ARG 8 0.447 -3.315 -1.033
64 HB3 ARG 8 2HB ARG 8 1.421 -4.321 -2.102
65 HG2 ARG 8 1HG ARG 8 3.185 -4.450 -0.371
66 HG3 ARG 8 2HG ARG 8 2.192 -3.469 0.705
67 HD2 ARG 8 1HD ARG 8 0.418 -5.190 0.629
68 HD3 ARG 8 2HD ARG 8 1.420 -6.171 -0.433
69 HE ARG 8 HE ARG 8 2.746 -5.484 2.032
70 HH11 ARG 8 1HH2 ARG 8 0.511 -7.615 0.469
71 HH12 ARG 8 2HH2 ARG 8 0.782 -8.927 1.565
72 HH21 ARG 8 1HH1 ARG 8 3.107 -7.202 3.474
73 HH22 ARG 8 2HH1 ARG 8 2.253 -8.694 3.266
74 H ARG 9 H ARG 9 0.373 -0.733 -2.039
75 HA ARG 9 HA ARG 9 0.400 -0.734 -5.007
76 HB2 ARG 9 1HB ARG 9 -1.617 -1.876 -3.965
77 HB3 ARG 9 2HB ARG 9 -2.042 -0.312 -3.269
78 HG2 ARG 9 1HG ARG 9 -1.978 0.658 -5.591
79 HG3 ARG 9 2HG ARG 9 -1.765 -0.979 -6.211
80 HD2 ARG 9 1HD ARG 9 -4.081 -0.130 -4.454
81 HD3 ARG 9 2HD ARG 9 -4.156 -0.188 -6.212
82 HE ARG 9 HE ARG 9 -3.244 -2.684 -5.228
83 HH11 ARG 9 1HH2 ARG 9 -6.046 -0.657 -5.380
84 HH12 ARG 9 2HH2 ARG 9 -7.171 -1.974 -5.336
85 HH21 ARG 9 1HH1 ARG 9 -4.713 -4.415 -5.175
86 HH22 ARG 9 2HH1 ARG 9 -6.415 -4.102 -5.219
87 HA PRO 10 HA PRO 10 1.240 3.420 -3.151
88 HB2 PRO 10 1HB PRO 10 2.992 3.790 -5.525
89 HB3 PRO 10 2HB PRO 10 3.388 3.953 -3.804
90 HG2 PRO 10 1HG PRO 10 4.287 1.897 -5.291
91 HG3 PRO 10 2HG PRO 10 3.892 1.719 -3.572
92 HD2 PRO 10 1HD PRO 10 2.261 0.917 -5.973
93 HD3 PRO 10 2HD PRO 10 2.523 0.049 -4.446
94 H TYR 11 H TYR 11 0.343 5.441 -3.821
95 HA TYR 11 HA TYR 11 -1.730 5.385 -5.711
96 HB2 TYR 11 1HB TYR 11 -0.178 7.710 -4.546
97 HB3 TYR 11 2HB TYR 11 -1.605 7.906 -5.564
98 HD1 TYR 11 HD1 TYR 11 -0.351 6.672 -2.317
99 HD2 TYR 11 HD2 TYR 11 -3.821 7.324 -4.763
100 HE1 TYR 11 HE1 TYR 11 -1.810 6.294 -0.348
101 HE2 TYR 11 HE2 TYR 11 -5.281 6.946 -2.795
102 HH TYR 11 HH TYR 11 -4.973 7.180 -0.208
103 H ILE 12 H ILE 12 1.594 6.612 -5.950
104 HA ILE 12 HA ILE 12 1.427 7.478 -8.649
105 HB ILE 12 HB ILE 12 3.787 6.624 -6.952
106 HG12 ILE 12 1HG1 ILE 12 2.928 9.381 -7.865
107 HG13 ILE 12 2HG1 ILE 12 2.430 8.685 -6.321
108 HG21 ILE 12 1HG2 ILE 12 5.071 7.947 -8.740
109 HG22 ILE 12 2HG2 ILE 12 3.631 7.777 -9.744
110 HG23 ILE 12 3HG2 ILE 12 4.504 6.343 -9.208
111 HD11 ILE 12 3HD1 ILE 12 5.316 8.999 -7.193
112 HD12 ILE 12 1HD1 ILE 12 4.743 8.473 -5.609
113 HD13 ILE 12 2HD1 ILE 12 4.469 10.133 -6.139
114 H LEU 13 H LEU 13 2.419 4.471 -7.105
115 HA LEU 13 HA LEU 13 2.331 2.307 -7.858
116 HB2 LEU 13 1HB LEU 13 0.478 3.201 -9.426
117 HB3 LEU 13 2HB LEU 13 1.737 3.235 -10.657
118 HG LEU 13 HG LEU 13 2.214 0.778 -9.937
119 HD11 LEU 13 1HD1 LEU 13 0.004 -0.339 -9.224
120 HD12 LEU 13 2HD1 LEU 13 -0.519 1.266 -8.726
121 HD13 LEU 13 3HD1 LEU 13 0.890 0.525 -7.972
122 HD21 LEU 13 3HD2 LEU 13 -0.233 1.677 -11.475
123 HD22 LEU 13 1HD2 LEU 13 0.291 -0.006 -11.427
124 HD23 LEU 13 2HD2 LEU 13 1.347 1.225 -12.118
Start of MODEL 33
1 H1 GLU 1 1H GLU 1 0.643 -7.820 8.440
2 H2 GLU 1 2H GLU 1 1.188 -6.215 8.553
3 H3 GLU 1 3H GLU 1 -0.360 -6.547 7.938
4 HA GLU 1 HA GLU 1 -0.259 -7.729 10.441
5 HB2 GLU 1 1HB GLU 1 1.712 -6.218 10.816
6 HB3 GLU 1 2HB GLU 1 0.664 -4.840 10.488
7 HG2 GLU 1 1HG GLU 1 0.743 -5.105 12.876
8 HG3 GLU 1 2HG GLU 1 -0.843 -5.666 12.354
9 H LEU 2 H LEU 2 -0.856 -4.329 9.561
10 HA LEU 2 HA LEU 2 -3.749 -4.754 10.025
11 HB2 LEU 2 1HB LEU 2 -2.205 -2.156 9.809
12 HB3 LEU 2 2HB LEU 2 -3.881 -2.350 10.319
13 HG LEU 2 HG LEU 2 -1.464 -3.487 11.758
14 HD11 LEU 2 1HD1 LEU 2 -1.869 -1.793 13.425
15 HD12 LEU 2 2HD1 LEU 2 -3.350 -1.277 12.617
16 HD13 LEU 2 3HD1 LEU 2 -1.784 -0.983 11.861
17 HD21 LEU 2 3HD2 LEU 2 -3.221 -4.965 12.274
18 HD22 LEU 2 1HD2 LEU 2 -4.445 -3.699 12.190
19 HD23 LEU 2 2HD2 LEU 2 -3.348 -3.777 13.568
20 H TYR 3 H TYR 3 -4.062 -2.097 8.549
21 HA TYR 3 HA TYR 3 -4.569 -3.284 5.934
22 HB2 TYR 3 1HB TYR 3 -6.214 -1.771 7.096
23 HB3 TYR 3 2HB TYR 3 -5.077 -0.445 6.850
24 HD1 TYR 3 HD1 TYR 3 -6.991 -3.088 5.033
25 HD2 TYR 3 HD2 TYR 3 -4.996 0.709 4.784
26 HE1 TYR 3 HE1 TYR 3 -7.842 -2.791 2.723
27 HE2 TYR 3 HE2 TYR 3 -5.847 1.003 2.472
28 HH TYR 3 HH TYR 3 -7.996 -1.419 0.983
29 H GLU 4 H GLU 4 -1.871 -3.206 6.481
30 HA GLU 4 HA GLU 4 -0.692 -0.850 5.249
31 HB2 GLU 4 1HB GLU 4 0.472 -3.437 6.301
32 HB3 GLU 4 2HB GLU 4 1.442 -2.146 5.585
33 HG2 GLU 4 1HG GLU 4 0.646 -0.569 7.276
34 HG3 GLU 4 2HG GLU 4 -0.407 -1.804 7.963
35 H ASN 5 H ASN 5 -2.531 -2.350 3.622
36 HA ASN 5 HA ASN 5 -0.830 -3.703 1.636
37 HB2 ASN 5 1HB ASN 5 -3.825 -3.476 1.973
38 HB3 ASN 5 2HB ASN 5 -3.065 -4.215 0.566
39 HD21 ASN 5 2HD2 ASN 5 -4.723 -5.725 2.372
40 HD22 ASN 5 1HD2 ASN 5 -3.738 -6.863 3.157
41 H LYS 6 H LYS 6 -1.207 -0.669 2.261
42 HA LYS 6 HA LYS 6 -2.120 0.285 -0.350
43 HB2 LYS 6 1HB LYS 6 -1.929 2.528 0.651
44 HB3 LYS 6 2HB LYS 6 -2.962 1.460 1.596
45 HG2 LYS 6 1HG LYS 6 -1.167 1.042 3.183
46 HG3 LYS 6 2HG LYS 6 -0.036 1.975 2.199
47 HD2 LYS 6 1HD LYS 6 -1.499 3.980 2.511
48 HD3 LYS 6 2HD LYS 6 -2.502 3.031 3.609
49 HE2 LYS 6 1HE LYS 6 -0.363 2.564 4.933
50 HE3 LYS 6 2HE LYS 6 0.395 3.827 3.962
51 HZ1 LYS 6 3HZ LYS 6 -0.382 4.973 5.789
52 HZ2 LYS 6 1HZ LYS 6 -1.802 4.055 5.910
53 HZ3 LYS 6 2HZ LYS 6 -1.640 5.207 4.671
54 HA PRO 7 HA PRO 7 2.434 1.573 -0.445
55 HB2 PRO 7 1HB PRO 7 4.300 0.031 0.745
56 HB3 PRO 7 2HB PRO 7 3.383 1.245 1.661
57 HG2 PRO 7 1HG PRO 7 3.042 -1.713 1.576
58 HG3 PRO 7 2HG PRO 7 2.840 -0.592 2.935
59 HD2 PRO 7 1HD PRO 7 0.757 -1.637 1.343
60 HD3 PRO 7 2HD PRO 7 0.617 -0.246 2.438
61 H ARG 8 H ARG 8 0.987 -1.291 -1.043
62 HA ARG 8 HA ARG 8 3.014 -2.399 -2.862
63 HB2 ARG 8 1HB ARG 8 0.202 -3.294 -2.160
64 HB3 ARG 8 2HB ARG 8 1.272 -4.136 -3.279
65 HG2 ARG 8 1HG ARG 8 2.903 -4.514 -1.500
66 HG3 ARG 8 2HG ARG 8 1.924 -3.578 -0.370
67 HD2 ARG 8 1HD ARG 8 1.517 -5.954 -0.007
68 HD3 ARG 8 2HD ARG 8 0.069 -5.210 -0.675
69 HE ARG 8 HE ARG 8 1.689 -6.237 -2.772
70 HH11 ARG 8 1HH2 ARG 8 -0.385 -7.181 -0.169
71 HH12 ARG 8 2HH2 ARG 8 -0.898 -8.650 -0.926
72 HH21 ARG 8 1HH1 ARG 8 1.025 -8.163 -3.772
73 HH22 ARG 8 2HH1 ARG 8 -0.099 -9.208 -2.966
74 H ARG 9 H ARG 9 0.161 -0.544 -2.635
75 HA ARG 9 HA ARG 9 0.086 -0.109 -5.568
76 HB2 ARG 9 1HB ARG 9 -2.183 -0.190 -3.565
77 HB3 ARG 9 2HB ARG 9 -2.349 0.435 -5.207
78 HG2 ARG 9 1HG ARG 9 -1.469 -1.796 -6.034
79 HG3 ARG 9 2HG ARG 9 -1.620 -2.385 -4.378
80 HD2 ARG 9 1HD ARG 9 -4.012 -1.883 -4.384
81 HD3 ARG 9 2HD ARG 9 -3.886 -1.196 -6.002
82 HE ARG 9 HE ARG 9 -2.911 -3.784 -6.202
83 HH11 ARG 9 1HH2 ARG 9 -5.830 -2.202 -5.230
84 HH12 ARG 9 2HH2 ARG 9 -6.863 -3.506 -5.717
85 HH21 ARG 9 1HH1 ARG 9 -4.258 -5.497 -6.844
86 HH22 ARG 9 2HH1 ARG 9 -5.972 -5.371 -6.632
87 HA PRO 10 HA PRO 10 0.963 3.697 -3.003
88 HB2 PRO 10 1HB PRO 10 3.171 4.590 -4.382
89 HB3 PRO 10 2HB PRO 10 3.259 3.433 -3.037
90 HG2 PRO 10 1HG PRO 10 3.320 2.920 -5.975
91 HG3 PRO 10 2HG PRO 10 4.284 2.181 -4.686
92 HD2 PRO 10 1HD PRO 10 2.113 0.939 -5.793
93 HD3 PRO 10 2HD PRO 10 2.605 0.689 -4.101
94 H TYR 11 H TYR 11 0.977 6.012 -3.738
95 HA TYR 11 HA TYR 11 -1.022 6.514 -5.642
96 HB2 TYR 11 1HB TYR 11 1.108 8.366 -4.542
97 HB3 TYR 11 2HB TYR 11 -0.310 8.890 -5.450
98 HD1 TYR 11 HD2 TYR 11 0.848 7.291 -2.316
99 HD2 TYR 11 HD1 TYR 11 -2.505 8.915 -4.454
100 HE1 TYR 11 HE2 TYR 11 -0.501 7.240 -0.236
101 HE2 TYR 11 HE1 TYR 11 -3.856 8.865 -2.373
102 HH TYR 11 HH TYR 11 -3.478 8.858 0.062
103 H ILE 12 H ILE 12 2.493 6.486 -5.898
104 HA ILE 12 HA ILE 12 2.418 7.331 -8.697
105 HB ILE 12 HB ILE 12 4.886 7.175 -8.541
106 HG12 ILE 12 1HG1 ILE 12 4.374 6.431 -5.641
107 HG13 ILE 12 2HG1 ILE 12 4.912 5.291 -6.874
108 HG21 ILE 12 1HG2 ILE 12 5.164 9.039 -6.994
109 HG22 ILE 12 2HG2 ILE 12 3.636 8.651 -6.205
110 HG23 ILE 12 3HG2 ILE 12 3.646 9.236 -7.868
111 HD11 ILE 12 3HD1 ILE 12 6.864 6.865 -7.307
112 HD12 ILE 12 1HD1 ILE 12 6.889 6.035 -5.752
113 HD13 ILE 12 2HD1 ILE 12 6.384 7.723 -5.843
114 H LEU 13 H LEU 13 1.840 4.532 -7.106
115 HA LEU 13 HA LEU 13 1.820 2.310 -7.670
116 HB2 LEU 13 1HB LEU 13 2.056 3.533 -10.425
117 HB3 LEU 13 2HB LEU 13 1.845 1.810 -10.144
118 HG LEU 13 HG LEU 13 -0.222 2.404 -8.771
119 HD11 LEU 13 1HD1 LEU 13 -1.231 4.657 -9.561
120 HD12 LEU 13 2HD1 LEU 13 0.422 5.098 -9.987
121 HD13 LEU 13 3HD1 LEU 13 0.013 4.716 -8.316
122 HD21 LEU 13 3HD2 LEU 13 -0.322 1.497 -11.070
123 HD22 LEU 13 1HD2 LEU 13 -0.204 3.134 -11.717
124 HD23 LEU 13 2HD2 LEU 13 -1.622 2.655 -10.784
Start of MODEL 34
1 H1 GLU 1 1H GLU 1 -3.108 -7.717 5.433
2 H2 GLU 1 2H GLU 1 -1.685 -8.642 5.384
3 H3 GLU 1 3H GLU 1 -1.601 -6.960 5.601
4 HA GLU 1 HA GLU 1 -2.771 -8.906 7.513
5 HB2 GLU 1 1HB GLU 1 -0.206 -7.292 7.518
6 HB3 GLU 1 2HB GLU 1 -0.841 -8.128 8.935
7 HG2 GLU 1 1HG GLU 1 -0.745 -10.270 7.742
8 HG3 GLU 1 2HG GLU 1 -0.166 -9.451 6.292
9 H LEU 2 H LEU 2 -1.207 -5.784 7.997
10 HA LEU 2 HA LEU 2 -3.684 -4.770 9.259
11 HB2 LEU 2 1HB LEU 2 -0.855 -3.703 9.442
12 HB3 LEU 2 2HB LEU 2 -2.239 -3.196 10.408
13 HG LEU 2 HG LEU 2 -1.067 -5.992 10.394
14 HD11 LEU 2 1HD1 LEU 2 0.344 -4.143 11.433
15 HD12 LEU 2 2HD1 LEU 2 -0.101 -5.458 12.521
16 HD13 LEU 2 3HD1 LEU 2 -0.960 -3.920 12.598
17 HD21 LEU 2 3HD2 LEU 2 -2.544 -6.030 12.567
18 HD22 LEU 2 1HD2 LEU 2 -3.324 -6.259 11.003
19 HD23 LEU 2 2HD2 LEU 2 -3.397 -4.689 11.804
20 H TYR 3 H TYR 3 -2.354 -2.050 9.044
21 HA TYR 3 HA TYR 3 -3.615 -1.280 6.532
22 HB2 TYR 3 1HB TYR 3 -3.830 0.002 8.720
23 HB3 TYR 3 2HB TYR 3 -2.146 0.476 8.510
24 HD1 TYR 3 HD2 TYR 3 -5.530 0.646 6.983
25 HD2 TYR 3 HD1 TYR 3 -1.517 2.177 6.953
26 HE1 TYR 3 HE2 TYR 3 -6.241 2.484 5.475
27 HE2 TYR 3 HE1 TYR 3 -2.228 4.013 5.447
28 HH TYR 3 HH TYR 3 -4.984 5.119 5.076
29 H GLU 4 H GLU 4 -1.074 -2.877 6.771
30 HA GLU 4 HA GLU 4 0.987 -1.141 5.682
31 HB2 GLU 4 1HB GLU 4 2.451 -2.935 6.030
32 HB3 GLU 4 2HB GLU 4 1.270 -3.146 7.318
33 HG2 GLU 4 1HG GLU 4 1.394 -5.312 6.455
34 HG3 GLU 4 2HG GLU 4 0.019 -4.660 5.569
35 H ASN 5 H ASN 5 -1.703 -2.406 4.370
36 HA ASN 5 HA ASN 5 -0.505 -3.362 1.863
37 HB2 ASN 5 1HB ASN 5 -3.341 -3.280 2.895
38 HB3 ASN 5 2HB ASN 5 -2.917 -3.799 1.265
39 HD21 ASN 5 2HD2 ASN 5 -4.131 -5.596 3.138
40 HD22 ASN 5 1HD2 ASN 5 -2.997 -6.792 3.542
41 H LYS 6 H LYS 6 -0.958 -0.394 3.026
42 HA LYS 6 HA LYS 6 -2.375 0.741 0.732
43 HB2 LYS 6 1HB LYS 6 -2.242 1.479 3.395
44 HB3 LYS 6 2HB LYS 6 -1.144 2.635 2.651
45 HG2 LYS 6 1HG LYS 6 -3.981 2.109 1.699
46 HG3 LYS 6 2HG LYS 6 -3.501 3.450 2.735
47 HD2 LYS 6 1HD LYS 6 -1.883 4.174 0.958
48 HD3 LYS 6 2HD LYS 6 -2.548 2.921 -0.091
49 HE2 LYS 6 1HE LYS 6 -3.988 5.321 1.056
50 HE3 LYS 6 2HE LYS 6 -3.720 4.936 -0.644
51 HZ1 LYS 6 3HZ LYS 6 -5.966 4.376 0.028
52 HZ2 LYS 6 1HZ LYS 6 -5.374 3.363 1.253
53 HZ3 LYS 6 2HZ LYS 6 -5.101 2.969 -0.376
54 HA PRO 7 HA PRO 7 1.910 2.546 -0.063
55 HB2 PRO 7 1HB PRO 7 4.066 1.841 1.395
56 HB3 PRO 7 2HB PRO 7 2.878 3.012 2.007
57 HG2 PRO 7 1HG PRO 7 3.237 0.140 2.713
58 HG3 PRO 7 2HG PRO 7 2.761 1.502 3.742
59 HD2 PRO 7 1HD PRO 7 0.998 -0.372 2.569
60 HD3 PRO 7 2HD PRO 7 0.525 1.181 3.286
61 H ARG 8 H ARG 8 1.059 -0.548 -0.053
62 HA ARG 8 HA ARG 8 3.400 -1.674 -1.428
63 HB2 ARG 8 1HB ARG 8 0.676 -2.891 -0.879
64 HB3 ARG 8 2HB ARG 8 2.088 -3.744 -1.491
65 HG2 ARG 8 1HG ARG 8 2.141 -2.288 1.157
66 HG3 ARG 8 2HG ARG 8 1.598 -3.960 1.032
67 HD2 ARG 8 1HD ARG 8 3.790 -4.515 -0.073
68 HD3 ARG 8 2HD ARG 8 4.323 -2.872 0.273
69 HE ARG 8 HE ARG 8 3.373 -4.449 2.547
70 HH11 ARG 8 1HH2 ARG 8 6.021 -3.235 0.669
71 HH12 ARG 8 2HH2 ARG 8 7.183 -3.430 1.937
72 HH21 ARG 8 1HH1 ARG 8 4.896 -4.703 4.208
73 HH22 ARG 8 2HH1 ARG 8 6.548 -4.260 3.935
74 H ARG 9 H ARG 9 0.284 -0.342 -1.849
75 HA ARG 9 HA ARG 9 0.503 -0.531 -4.798
76 HB2 ARG 9 1HB ARG 9 -2.075 -0.244 -4.649
77 HB3 ARG 9 2HB ARG 9 -1.395 -1.835 -4.306
78 HG2 ARG 9 1HG ARG 9 -1.556 -1.486 -1.933
79 HG3 ARG 9 2HG ARG 9 -1.971 0.213 -2.151
80 HD2 ARG 9 1HD ARG 9 -4.029 -0.564 -3.417
81 HD3 ARG 9 2HD ARG 9 -3.646 -2.199 -2.885
82 HE ARG 9 HE ARG 9 -3.723 -0.401 -0.670
83 HH11 ARG 9 1HH2 ARG 9 -5.674 -2.121 -2.950
84 HH12 ARG 9 2HH2 ARG 9 -7.054 -2.217 -1.910
85 HH21 ARG 9 1HH1 ARG 9 -5.536 -0.517 0.702
86 HH22 ARG 9 2HH1 ARG 9 -6.974 -1.312 0.158
87 HA PRO 10 HA PRO 10 0.498 3.803 -3.188
88 HB2 PRO 10 1HB PRO 10 2.680 4.757 -4.502
89 HB3 PRO 10 2HB PRO 10 2.811 3.821 -2.998
90 HG2 PRO 10 1HG PRO 10 3.199 2.931 -5.820
91 HG3 PRO 10 2HG PRO 10 4.137 2.518 -4.374
92 HD2 PRO 10 1HD PRO 10 2.191 0.876 -5.461
93 HD3 PRO 10 2HD PRO 10 2.671 0.838 -3.750
94 H TYR 11 H TYR 11 0.164 5.871 -4.385
95 HA TYR 11 HA TYR 11 -1.602 5.600 -6.543
96 HB2 TYR 11 1HB TYR 11 -1.616 7.587 -5.140
97 HB3 TYR 11 2HB TYR 11 0.018 8.003 -5.659
98 HD1 TYR 11 HD2 TYR 11 -3.458 7.457 -6.924
99 HD2 TYR 11 HD1 TYR 11 0.382 9.250 -7.635
100 HE1 TYR 11 HE2 TYR 11 -4.382 8.661 -8.886
101 HE2 TYR 11 HE1 TYR 11 -0.543 10.452 -9.597
102 HH TYR 11 HH TYR 11 -2.487 10.097 -11.218
103 H ILE 12 H ILE 12 1.855 6.449 -6.478
104 HA ILE 12 HA ILE 12 2.072 6.773 -9.301
105 HB ILE 12 HB ILE 12 4.517 6.668 -8.891
106 HG12 ILE 12 1HG1 ILE 12 3.725 6.209 -5.999
107 HG13 ILE 12 2HG1 ILE 12 4.364 4.949 -7.053
108 HG21 ILE 12 1HG2 ILE 12 4.616 8.662 -7.466
109 HG22 ILE 12 2HG2 ILE 12 2.987 8.338 -6.873
110 HG23 ILE 12 3HG2 ILE 12 3.240 8.772 -8.564
111 HD11 ILE 12 3HD1 ILE 12 6.228 5.820 -5.818
112 HD12 ILE 12 1HD1 ILE 12 5.756 7.483 -6.161
113 HD13 ILE 12 2HD1 ILE 12 6.367 6.454 -7.458
114 H LEU 13 H LEU 13 2.122 4.045 -7.165
115 HA LEU 13 HA LEU 13 2.195 1.791 -7.577
116 HB2 LEU 13 1HB LEU 13 0.734 2.646 -9.553
117 HB3 LEU 13 2HB LEU 13 2.157 2.325 -10.530
118 HG LEU 13 HG LEU 13 0.730 0.370 -10.592
119 HD11 LEU 13 1HD1 LEU 13 2.288 -1.297 -9.978
120 HD12 LEU 13 2HD1 LEU 13 2.921 -0.337 -8.640
121 HD13 LEU 13 3HD1 LEU 13 3.270 0.129 -10.307
122 HD21 LEU 13 3HD2 LEU 13 -0.322 -0.600 -8.778
123 HD22 LEU 13 1HD2 LEU 13 -0.229 1.051 -8.172
124 HD23 LEU 13 2HD2 LEU 13 0.949 -0.151 -7.644
Start of MODEL 35
1 H1 GLU 1 1H GLU 1 -0.977 -7.795 5.536
2 H2 GLU 1 2H GLU 1 0.264 -7.454 6.644
3 H3 GLU 1 3H GLU 1 -0.957 -6.312 6.358
4 HA GLU 1 HA GLU 1 -2.080 -8.791 7.160
5 HB2 GLU 1 1HB GLU 1 -0.037 -7.479 8.982
6 HB3 GLU 1 2HB GLU 1 -1.233 -8.656 9.524
7 HG2 GLU 1 1HG GLU 1 0.814 -9.174 7.349
8 HG3 GLU 1 2HG GLU 1 0.987 -9.686 9.027
9 H LEU 2 H LEU 2 -1.128 -5.594 8.476
10 HA LEU 2 HA LEU 2 -3.919 -5.108 9.282
11 HB2 LEU 2 1HB LEU 2 -1.437 -3.446 9.780
12 HB3 LEU 2 2HB LEU 2 -3.017 -3.226 10.530
13 HG LEU 2 HG LEU 2 -1.283 -5.703 10.810
14 HD11 LEU 2 1HD1 LEU 2 -1.845 -3.397 12.696
15 HD12 LEU 2 2HD1 LEU 2 -0.286 -3.839 12.003
16 HD13 LEU 2 3HD1 LEU 2 -1.062 -4.900 13.180
17 HD21 LEU 2 3HD2 LEU 2 -3.006 -6.050 12.752
18 HD22 LEU 2 1HD2 LEU 2 -3.504 -6.441 11.108
19 HD23 LEU 2 2HD2 LEU 2 -4.012 -4.921 11.844
20 H TYR 3 H TYR 3 -3.034 -2.135 9.062
21 HA TYR 3 HA TYR 3 -4.215 -1.742 6.424
22 HB2 TYR 3 1HB TYR 3 -4.810 -0.338 8.449
23 HB3 TYR 3 2HB TYR 3 -3.197 0.364 8.344
24 HD1 TYR 3 HD1 TYR 3 -6.330 -0.200 6.404
25 HD2 TYR 3 HD2 TYR 3 -2.727 2.106 6.795
26 HE1 TYR 3 HE1 TYR 3 -7.129 1.350 4.642
27 HE2 TYR 3 HE2 TYR 3 -3.525 3.651 5.028
28 HH TYR 3 HH TYR 3 -5.983 4.319 4.143
29 H GLU 4 H GLU 4 -1.495 -2.899 6.907
30 HA GLU 4 HA GLU 4 0.350 -0.926 5.835
31 HB2 GLU 4 1HB GLU 4 2.031 -2.627 6.121
32 HB3 GLU 4 2HB GLU 4 1.006 -2.634 7.556
33 HG2 GLU 4 1HG GLU 4 -0.298 -4.519 6.561
34 HG3 GLU 4 2HG GLU 4 0.848 -4.566 5.222
35 H ASN 5 H ASN 5 -2.053 -2.053 4.307
36 HA ASN 5 HA ASN 5 -0.665 -3.260 1.995
37 HB2 ASN 5 1HB ASN 5 -2.888 -3.870 1.214
38 HB3 ASN 5 2HB ASN 5 -2.662 -4.421 2.874
39 HD21 ASN 5 2HD2 ASN 5 -5.169 -4.351 2.778
40 HD22 ASN 5 1HD2 ASN 5 -5.911 -2.875 3.170
41 H LYS 6 H LYS 6 -1.008 -0.268 2.963
42 HA LYS 6 HA LYS 6 -2.220 0.881 0.560
43 HB2 LYS 6 1HB LYS 6 -2.678 1.815 2.854
44 HB3 LYS 6 2HB LYS 6 -1.004 2.362 2.900
45 HG2 LYS 6 1HG LYS 6 -1.325 3.764 0.968
46 HG3 LYS 6 2HG LYS 6 -2.932 3.092 0.681
47 HD2 LYS 6 1HD LYS 6 -3.799 4.089 2.687
48 HD3 LYS 6 2HD LYS 6 -2.185 4.544 3.229
49 HE2 LYS 6 1HE LYS 6 -3.219 6.522 2.322
50 HE3 LYS 6 2HE LYS 6 -1.997 5.994 1.165
51 HZ1 LYS 6 3HZ LYS 6 -4.287 4.638 0.482
52 HZ2 LYS 6 1HZ LYS 6 -3.603 5.956 -0.338
53 HZ3 LYS 6 2HZ LYS 6 -4.810 6.217 0.829
54 HA PRO 7 HA PRO 7 2.276 2.181 -0.038
55 HB2 PRO 7 1HB PRO 7 4.265 1.152 1.459
56 HB3 PRO 7 2HB PRO 7 3.220 2.442 2.090
57 HG2 PRO 7 1HG PRO 7 3.219 -0.463 2.720
58 HG3 PRO 7 2HG PRO 7 2.807 0.916 3.753
59 HD2 PRO 7 1HD PRO 7 0.971 -0.762 2.345
60 HD3 PRO 7 2HD PRO 7 0.579 0.738 3.208
61 H ARG 8 H ARG 8 0.938 -0.670 -0.176
62 HA ARG 8 HA ARG 8 3.090 -2.221 -1.446
63 HB2 ARG 8 1HB ARG 8 1.380 -3.332 0.057
64 HB3 ARG 8 2HB ARG 8 0.154 -2.900 -1.140
65 HG2 ARG 8 1HG ARG 8 1.413 -4.159 -2.866
66 HG3 ARG 8 2HG ARG 8 2.586 -4.640 -1.639
67 HD2 ARG 8 1HD ARG 8 0.685 -5.651 -0.330
68 HD3 ARG 8 2HD ARG 8 -0.361 -5.323 -1.708
69 HE ARG 8 HE ARG 8 1.997 -6.815 -2.427
70 HH11 ARG 8 1HH2 ARG 8 -1.214 -6.942 -1.145
71 HH12 ARG 8 2HH2 ARG 8 -1.482 -8.591 -1.601
72 HH21 ARG 8 1HH1 ARG 8 1.653 -8.986 -3.028
73 HH22 ARG 8 2HH1 ARG 8 0.140 -9.748 -2.664
74 H ARG 9 H ARG 9 0.270 -0.342 -1.979
75 HA ARG 9 HA ARG 9 0.602 -0.537 -4.919
76 HB2 ARG 9 1HB ARG 9 -1.964 0.015 -3.408
77 HB3 ARG 9 2HB ARG 9 -1.781 -0.179 -5.153
78 HG2 ARG 9 1HG ARG 9 -0.838 -2.502 -4.659
79 HG3 ARG 9 2HG ARG 9 -1.425 -2.282 -3.010
80 HD2 ARG 9 1HD ARG 9 -3.125 -3.461 -4.277
81 HD3 ARG 9 2HD ARG 9 -3.705 -1.834 -3.932
82 HE ARG 9 HE ARG 9 -2.491 -1.634 -6.395
83 HH11 ARG 9 1HH2 ARG 9 -4.973 -3.571 -4.960
84 HH12 ARG 9 2HH2 ARG 9 -5.854 -3.784 -6.435
85 HH21 ARG 9 1HH1 ARG 9 -3.643 -1.907 -8.335
86 HH22 ARG 9 2HH1 ARG 9 -5.102 -2.840 -8.347
87 HA PRO 10 HA PRO 10 1.479 3.715 -3.323
88 HB2 PRO 10 1HB PRO 10 3.269 3.865 -5.697
89 HB3 PRO 10 2HB PRO 10 3.635 4.177 -3.991
90 HG2 PRO 10 1HG PRO 10 4.513 1.975 -5.294
91 HG3 PRO 10 2HG PRO 10 4.147 1.985 -3.560
92 HD2 PRO 10 1HD PRO 10 2.526 0.867 -5.824
93 HD3 PRO 10 2HD PRO 10 2.719 0.270 -4.167
94 H TYR 11 H TYR 11 0.790 5.759 -4.195
95 HA TYR 11 HA TYR 11 -1.373 5.728 -5.954
96 HB2 TYR 11 1HB TYR 11 0.505 8.011 -5.289
97 HB3 TYR 11 2HB TYR 11 -1.044 8.191 -6.112
98 HD1 TYR 11 HD2 TYR 11 -3.164 7.468 -4.931
99 HD2 TYR 11 HD1 TYR 11 0.621 7.765 -2.923
100 HE1 TYR 11 HE2 TYR 11 -4.329 7.512 -2.742
101 HE2 TYR 11 HE1 TYR 11 -0.542 7.810 -0.734
102 HH TYR 11 HH TYR 11 -4.000 7.240 -0.478
103 H ILE 12 H ILE 12 2.037 6.508 -6.585
104 HA ILE 12 HA ILE 12 1.586 6.938 -9.406
105 HB ILE 12 HB ILE 12 4.072 7.061 -9.510
106 HG12 ILE 12 1HG1 ILE 12 3.933 6.668 -6.503
107 HG13 ILE 12 2HG1 ILE 12 4.430 5.404 -7.627
108 HG21 ILE 12 1HG2 ILE 12 2.871 9.098 -9.078
109 HG22 ILE 12 2HG2 ILE 12 4.241 9.067 -7.970
110 HG23 ILE 12 3HG2 ILE 12 2.626 8.666 -7.387
111 HD11 ILE 12 3HD1 ILE 12 6.421 6.508 -6.786
112 HD12 ILE 12 1HD1 ILE 12 5.770 8.089 -7.213
113 HD13 ILE 12 2HD1 ILE 12 6.216 6.948 -8.482
114 H LEU 13 H LEU 13 1.867 4.255 -7.422
115 HA LEU 13 HA LEU 13 2.142 2.016 -7.797
116 HB2 LEU 13 1HB LEU 13 1.432 2.901 -10.594
117 HB3 LEU 13 2HB LEU 13 1.602 1.215 -10.124
118 HG LEU 13 HG LEU 13 -0.265 3.146 -8.714
119 HD11 LEU 13 1HD1 LEU 13 -1.031 3.027 -10.987
120 HD12 LEU 13 2HD1 LEU 13 -2.057 1.946 -10.046
121 HD13 LEU 13 3HD1 LEU 13 -0.766 1.283 -11.048
122 HD21 LEU 13 3HD2 LEU 13 0.220 0.164 -8.625
123 HD22 LEU 13 1HD2 LEU 13 -1.374 0.803 -8.229
124 HD23 LEU 13 2HD2 LEU 13 0.028 1.295 -7.286
Start of MODEL 36
1 H1 GLU 1 1H GLU 1 0.779 -7.800 8.419
2 H2 GLU 1 2H GLU 1 -0.591 -8.731 8.044
3 H3 GLU 1 3H GLU 1 -0.729 -7.391 9.079
4 HA GLU 1 HA GLU 1 0.114 -6.024 7.120
5 HB2 GLU 1 1HB GLU 1 0.642 -8.292 5.923
6 HB3 GLU 1 2HB GLU 1 -1.075 -8.299 5.531
7 HG2 GLU 1 1HG GLU 1 0.791 -5.988 4.906
8 HG3 GLU 1 2HG GLU 1 0.375 -7.256 3.757
9 H LEU 2 H LEU 2 -1.619 -5.294 8.702
10 HA LEU 2 HA LEU 2 -4.369 -5.883 7.928
11 HB2 LEU 2 1HB LEU 2 -3.089 -4.215 10.092
12 HB3 LEU 2 2HB LEU 2 -4.815 -4.094 9.750
13 HG LEU 2 HG LEU 2 -5.025 -6.554 10.076
14 HD11 LEU 2 1HD1 LEU 2 -3.013 -7.610 11.307
15 HD12 LEU 2 2HD1 LEU 2 -2.072 -6.268 10.655
16 HD13 LEU 2 3HD1 LEU 2 -2.870 -7.400 9.563
17 HD21 LEU 2 3HD2 LEU 2 -4.599 -6.506 12.562
18 HD22 LEU 2 1HD2 LEU 2 -5.507 -5.114 11.968
19 HD23 LEU 2 2HD2 LEU 2 -3.790 -4.954 12.339
20 H TYR 3 H TYR 3 -2.883 -2.729 8.610
21 HA TYR 3 HA TYR 3 -4.317 -1.604 6.278
22 HB2 TYR 3 1HB TYR 3 -4.787 -0.560 8.465
23 HB3 TYR 3 2HB TYR 3 -3.071 -0.202 8.657
24 HD1 TYR 3 HD1 TYR 3 -5.957 0.338 6.342
25 HD2 TYR 3 HD2 TYR 3 -2.159 1.778 7.741
26 HE1 TYR 3 HE1 TYR 3 -6.241 2.398 4.993
27 HE2 TYR 3 HE2 TYR 3 -2.443 3.837 6.391
28 HH TYR 3 HH TYR 3 -3.729 4.933 4.960
29 H GLU 4 H GLU 4 -1.553 -3.034 6.610
30 HA GLU 4 HA GLU 4 0.294 -0.988 5.688
31 HB2 GLU 4 1HB GLU 4 0.549 -3.974 6.094
32 HB3 GLU 4 2HB GLU 4 1.865 -2.949 5.512
33 HG2 GLU 4 1HG GLU 4 1.764 -1.605 7.545
34 HG3 GLU 4 2HG GLU 4 0.371 -2.523 8.115
35 H ASN 5 H ASN 5 -2.196 -2.011 4.172
36 HA ASN 5 HA ASN 5 -1.002 -3.059 1.716
37 HB2 ASN 5 1HB ASN 5 -3.194 -3.898 2.600
38 HB3 ASN 5 2HB ASN 5 -3.878 -2.309 2.260
39 HD21 ASN 5 2HD2 ASN 5 -5.307 -3.178 0.586
40 HD22 ASN 5 1HD2 ASN 5 -4.693 -3.692 -0.912
41 H LYS 6 H LYS 6 -0.989 -0.128 3.012
42 HA LYS 6 HA LYS 6 -1.998 1.420 0.769
43 HB2 LYS 6 1HB LYS 6 -1.214 1.935 3.529
44 HB3 LYS 6 2HB LYS 6 -0.451 3.106 2.459
45 HG2 LYS 6 1HG LYS 6 -3.408 2.479 2.270
46 HG3 LYS 6 2HG LYS 6 -2.787 3.689 3.390
47 HD2 LYS 6 1HD LYS 6 -1.678 4.846 1.481
48 HD3 LYS 6 2HD LYS 6 -2.411 3.681 0.379
49 HE2 LYS 6 1HE LYS 6 -4.060 5.335 2.295
50 HE3 LYS 6 2HE LYS 6 -3.656 5.901 0.675
51 HZ1 LYS 6 3HZ LYS 6 -4.526 3.382 0.235
52 HZ2 LYS 6 1HZ LYS 6 -5.467 4.781 0.057
53 HZ3 LYS 6 2HZ LYS 6 -5.539 3.890 1.501
54 HA PRO 7 HA PRO 7 2.608 2.146 -0.039
55 HB2 PRO 7 1HB PRO 7 4.535 0.946 1.440
56 HB3 PRO 7 2HB PRO 7 3.721 2.424 1.995
57 HG2 PRO 7 1HG PRO 7 3.236 -0.414 2.797
58 HG3 PRO 7 2HG PRO 7 3.280 1.048 3.801
59 HD2 PRO 7 1HD PRO 7 0.940 -0.138 2.908
60 HD3 PRO 7 2HD PRO 7 1.075 1.578 3.343
61 H ARG 8 H ARG 8 0.955 -0.560 0.046
62 HA ARG 8 HA ARG 8 2.882 -2.367 -1.240
63 HB2 ARG 8 1HB ARG 8 0.953 -3.046 0.425
64 HB3 ARG 8 2HB ARG 8 -0.083 -2.881 -0.993
65 HG2 ARG 8 1HG ARG 8 0.507 -5.133 -1.151
66 HG3 ARG 8 2HG ARG 8 1.763 -4.400 -2.144
67 HD2 ARG 8 1HD ARG 8 3.279 -4.381 -0.170
68 HD3 ARG 8 2HD ARG 8 2.023 -5.168 0.780
69 HE ARG 8 HE ARG 8 2.568 -6.671 -1.575
70 HH11 ARG 8 1HH2 ARG 8 3.841 -5.802 1.521
71 HH12 ARG 8 2HH2 ARG 8 4.762 -7.258 1.706
72 HH21 ARG 8 1HH1 ARG 8 3.771 -8.585 -1.339
73 HH22 ARG 8 2HH1 ARG 8 4.718 -8.835 0.089
74 H ARG 9 H ARG 9 0.223 -0.266 -1.769
75 HA ARG 9 HA ARG 9 0.425 -0.592 -4.708
76 HB2 ARG 9 1HB ARG 9 -1.982 0.096 -2.999
77 HB3 ARG 9 2HB ARG 9 -1.947 0.206 -4.760
78 HG2 ARG 9 1HG ARG 9 -1.414 -2.199 -4.904
79 HG3 ARG 9 2HG ARG 9 -1.450 -2.312 -3.144
80 HD2 ARG 9 1HD ARG 9 -3.596 -3.040 -3.846
81 HD3 ARG 9 2HD ARG 9 -3.836 -1.390 -3.284
82 HE ARG 9 HE ARG 9 -3.917 -2.319 -6.068
83 HH11 ARG 9 1HH2 ARG 9 -3.979 0.300 -3.788
84 HH12 ARG 9 2HH2 ARG 9 -4.674 1.425 -4.903
85 HH21 ARG 9 1HH1 ARG 9 -4.821 -0.838 -7.522
86 HH22 ARG 9 2HH1 ARG 9 -5.148 0.784 -7.013
87 HA PRO 10 HA PRO 10 1.869 3.565 -3.288
88 HB2 PRO 10 1HB PRO 10 3.331 3.466 -5.895
89 HB3 PRO 10 2HB PRO 10 3.946 3.844 -4.272
90 HG2 PRO 10 1HG PRO 10 4.495 1.515 -5.470
91 HG3 PRO 10 2HG PRO 10 4.231 1.621 -3.718
92 HD2 PRO 10 1HD PRO 10 2.353 0.635 -5.851
93 HD3 PRO 10 2HD PRO 10 2.626 0.010 -4.209
94 H TYR 11 H TYR 11 1.208 5.642 -4.014
95 HA TYR 11 HA TYR 11 -1.125 5.828 -5.513
96 HB2 TYR 11 1HB TYR 11 0.993 7.954 -5.096
97 HB3 TYR 11 2HB TYR 11 -0.661 8.252 -5.630
98 HD1 TYR 11 HD2 TYR 11 1.475 7.248 -2.806
99 HD2 TYR 11 HD1 TYR 11 -2.553 7.987 -4.101
100 HE1 TYR 11 HE2 TYR 11 0.720 7.261 -0.445
101 HE2 TYR 11 HE1 TYR 11 -3.310 8.000 -1.738
102 HH TYR 11 HH TYR 11 -1.303 8.345 0.832
103 H ILE 12 H ILE 12 2.238 6.356 -6.533
104 HA ILE 12 HA ILE 12 1.538 6.884 -9.271
105 HB ILE 12 HB ILE 12 3.630 7.729 -8.183
106 HG12 ILE 12 1HG1 ILE 12 4.200 5.904 -10.534
107 HG13 ILE 12 2HG1 ILE 12 3.324 7.426 -10.689
108 HG21 ILE 12 1HG2 ILE 12 4.025 5.506 -6.980
109 HG22 ILE 12 2HG2 ILE 12 5.445 6.249 -7.718
110 HG23 ILE 12 3HG2 ILE 12 4.640 4.897 -8.517
111 HD11 ILE 12 3HD1 ILE 12 5.225 8.675 -9.845
112 HD12 ILE 12 1HD1 ILE 12 5.782 7.637 -11.159
113 HD13 ILE 12 2HD1 ILE 12 6.094 7.183 -9.484
114 H LEU 13 H LEU 13 1.857 4.104 -7.345
115 HA LEU 13 HA LEU 13 1.788 1.858 -7.770
116 HB2 LEU 13 1HB LEU 13 0.714 2.843 -10.420
117 HB3 LEU 13 2HB LEU 13 0.744 1.153 -9.935
118 HG LEU 13 HG LEU 13 -0.598 3.315 -8.290
119 HD11 LEU 13 1HD1 LEU 13 -1.685 1.558 -10.498
120 HD12 LEU 13 2HD1 LEU 13 -1.771 3.315 -10.367
121 HD13 LEU 13 3HD1 LEU 13 -2.726 2.301 -9.284
122 HD21 LEU 13 3HD2 LEU 13 -0.513 0.291 -8.221
123 HD22 LEU 13 1HD2 LEU 13 -1.901 1.152 -7.561
124 HD23 LEU 13 2HD2 LEU 13 -0.297 1.433 -6.896
Start of MODEL 37
1 H1 GLU 1 1H GLU 1 0.402 -7.471 8.747
2 H2 GLU 1 2H GLU 1 -0.688 -6.183 8.942
3 H3 GLU 1 3H GLU 1 0.826 -5.915 8.219
4 HA GLU 1 HA GLU 1 0.038 -6.403 6.220
5 HB2 GLU 1 1HB GLU 1 -0.936 -8.631 5.785
6 HB3 GLU 1 2HB GLU 1 0.494 -8.763 6.811
7 HG2 GLU 1 1HG GLU 1 -0.969 -8.848 8.811
8 HG3 GLU 1 2HG GLU 1 -2.388 -8.780 7.770
9 H LEU 2 H LEU 2 -1.714 -5.394 8.667
10 HA LEU 2 HA LEU 2 -4.402 -5.755 7.624
11 HB2 LEU 2 1HB LEU 2 -4.036 -5.689 10.043
12 HB3 LEU 2 2HB LEU 2 -3.344 -4.075 9.914
13 HG LEU 2 HG LEU 2 -5.496 -3.203 9.090
14 HD11 LEU 2 1HD1 LEU 2 -7.488 -4.897 9.412
15 HD12 LEU 2 2HD1 LEU 2 -6.241 -6.122 9.184
16 HD13 LEU 2 3HD1 LEU 2 -6.555 -4.934 7.918
17 HD21 LEU 2 3HD2 LEU 2 -5.577 -4.831 11.643
18 HD22 LEU 2 1HD2 LEU 2 -6.838 -3.679 11.200
19 HD23 LEU 2 2HD2 LEU 2 -5.187 -3.120 11.470
20 H TYR 3 H TYR 3 -2.919 -2.712 8.688
21 HA TYR 3 HA TYR 3 -4.151 -1.338 6.407
22 HB2 TYR 3 1HB TYR 3 -4.461 -0.331 8.609
23 HB3 TYR 3 2HB TYR 3 -2.715 -0.261 8.850
24 HD1 TYR 3 HD1 TYR 3 -5.526 1.026 6.789
25 HD2 TYR 3 HD2 TYR 3 -1.381 1.457 7.835
26 HE1 TYR 3 HE1 TYR 3 -5.446 3.191 5.584
27 HE2 TYR 3 HE2 TYR 3 -1.301 3.619 6.626
28 HH TYR 3 HH TYR 3 -3.019 5.423 5.982
29 H GLU 4 H GLU 4 -1.386 -2.967 6.878
30 HA GLU 4 HA GLU 4 0.489 -1.074 5.713
31 HB2 GLU 4 1HB GLU 4 0.705 -3.987 6.490
32 HB3 GLU 4 2HB GLU 4 2.029 -3.072 5.765
33 HG2 GLU 4 1HG GLU 4 1.985 -1.473 7.596
34 HG3 GLU 4 2HG GLU 4 0.574 -2.265 8.296
35 H ASN 5 H ASN 5 -2.002 -2.129 4.294
36 HA ASN 5 HA ASN 5 -0.729 -3.372 1.935
37 HB2 ASN 5 1HB ASN 5 -2.984 -3.947 1.229
38 HB3 ASN 5 2HB ASN 5 -2.717 -4.503 2.881
39 HD21 ASN 5 2HD2 ASN 5 -5.355 -4.152 2.085
40 HD22 ASN 5 1HD2 ASN 5 -6.012 -2.772 2.821
41 H LYS 6 H LYS 6 -1.014 -0.393 2.978
42 HA LYS 6 HA LYS 6 -2.255 0.815 0.618
43 HB2 LYS 6 1HB LYS 6 -1.197 1.919 3.216
44 HB3 LYS 6 2HB LYS 6 -1.614 2.969 1.868
45 HG2 LYS 6 1HG LYS 6 -3.597 0.889 2.778
46 HG3 LYS 6 2HG LYS 6 -3.431 2.377 3.704
47 HD2 LYS 6 1HD LYS 6 -3.777 3.649 1.527
48 HD3 LYS 6 2HD LYS 6 -4.204 2.107 0.786
49 HE2 LYS 6 1HE LYS 6 -6.034 1.805 2.362
50 HE3 LYS 6 2HE LYS 6 -5.557 3.260 3.239
51 HZ1 LYS 6 3HZ LYS 6 -6.830 4.415 1.868
52 HZ2 LYS 6 1HZ LYS 6 -7.194 3.034 0.960
53 HZ3 LYS 6 2HZ LYS 6 -5.830 3.969 0.568
54 HA PRO 7 HA PRO 7 2.253 2.128 -0.010
55 HB2 PRO 7 1HB PRO 7 4.269 0.872 1.291
56 HB3 PRO 7 2HB PRO 7 3.330 2.172 2.049
57 HG2 PRO 7 1HG PRO 7 3.198 -0.761 2.502
58 HG3 PRO 7 2HG PRO 7 2.900 0.570 3.629
59 HD2 PRO 7 1HD PRO 7 0.926 -0.935 2.234
60 HD3 PRO 7 2HD PRO 7 0.651 0.550 3.167
61 H ARG 8 H ARG 8 0.979 -0.874 -0.236
62 HA ARG 8 HA ARG 8 3.083 -2.063 -1.917
63 HB2 ARG 8 1HB ARG 8 0.345 -3.073 -1.093
64 HB3 ARG 8 2HB ARG 8 1.455 -3.948 -2.144
65 HG2 ARG 8 1HG ARG 8 3.129 -4.037 -0.368
66 HG3 ARG 8 2HG ARG 8 2.098 -3.075 0.693
67 HD2 ARG 8 1HD ARG 8 1.837 -5.413 1.286
68 HD3 ARG 8 2HD ARG 8 0.353 -4.868 0.513
69 HE ARG 8 HE ARG 8 2.183 -6.007 -1.376
70 HH11 ARG 8 1HH2 ARG 8 -0.189 -6.670 1.049
71 HH12 ARG 8 2HH2 ARG 8 -0.608 -8.228 0.417
72 HH21 ARG 8 1HH1 ARG 8 1.637 -8.038 -2.226
73 HH22 ARG 8 2HH1 ARG 8 0.420 -8.999 -1.454
74 H ARG 9 H ARG 9 0.184 -0.304 -1.941
75 HA ARG 9 HA ARG 9 0.071 -0.335 -4.902
76 HB2 ARG 9 1HB ARG 9 -2.202 -0.015 -2.922
77 HB3 ARG 9 2HB ARG 9 -2.350 0.151 -4.671
78 HG2 ARG 9 1HG ARG 9 -1.357 -2.359 -3.282
79 HG3 ARG 9 2HG ARG 9 -3.024 -2.117 -3.796
80 HD2 ARG 9 1HD ARG 9 -1.929 -1.596 -6.141
81 HD3 ARG 9 2HD ARG 9 -0.562 -2.488 -5.479
82 HE ARG 9 HE ARG 9 -2.862 -4.016 -5.022
83 HH11 ARG 9 1HH2 ARG 9 -0.991 -2.756 -7.643
84 HH12 ARG 9 2HH2 ARG 9 -1.340 -4.073 -8.713
85 HH21 ARG 9 1HH1 ARG 9 -3.328 -5.748 -6.412
86 HH22 ARG 9 2HH1 ARG 9 -2.667 -5.774 -8.012
87 HA PRO 10 HA PRO 10 0.946 3.828 -2.994
88 HB2 PRO 10 1HB PRO 10 3.134 4.503 -4.501
89 HB3 PRO 10 2HB PRO 10 3.241 3.540 -3.014
90 HG2 PRO 10 1HG PRO 10 3.257 2.629 -5.859
91 HG3 PRO 10 2HG PRO 10 4.246 2.080 -4.494
92 HD2 PRO 10 1HD PRO 10 2.054 0.701 -5.378
93 HD3 PRO 10 2HD PRO 10 2.592 0.676 -3.684
94 H TYR 11 H TYR 11 0.758 5.979 -4.025
95 HA TYR 11 HA TYR 11 -1.185 6.139 -6.009
96 HB2 TYR 11 1HB TYR 11 -0.675 8.028 -4.551
97 HB3 TYR 11 2HB TYR 11 0.933 8.170 -5.262
98 HD1 TYR 11 HD1 TYR 11 -2.709 8.330 -6.084
99 HD2 TYR 11 HD2 TYR 11 1.286 9.399 -7.256
100 HE1 TYR 11 HE1 TYR 11 -3.620 9.780 -7.879
101 HE2 TYR 11 HE2 TYR 11 0.373 10.845 -9.051
102 HH TYR 11 HH TYR 11 -2.035 10.792 -10.419
103 H ILE 12 H ILE 12 2.353 6.317 -6.294
104 HA ILE 12 HA ILE 12 2.328 6.736 -9.127
105 HB ILE 12 HB ILE 12 4.756 6.197 -8.982
106 HG12 ILE 12 1HG1 ILE 12 4.262 5.884 -6.011
107 HG13 ILE 12 2HG1 ILE 12 4.434 4.508 -7.099
108 HG21 ILE 12 1HG2 ILE 12 3.580 8.132 -6.973
109 HG22 ILE 12 2HG2 ILE 12 4.144 8.484 -8.607
110 HG23 ILE 12 3HG2 ILE 12 5.301 8.062 -7.348
111 HD11 ILE 12 3HD1 ILE 12 6.493 6.706 -6.748
112 HD12 ILE 12 1HD1 ILE 12 6.659 5.278 -7.766
113 HD13 ILE 12 2HD1 ILE 12 6.588 5.107 -6.013
114 H LEU 13 H LEU 13 1.974 4.016 -7.084
115 HA LEU 13 HA LEU 13 1.773 1.779 -7.454
116 HB2 LEU 13 1HB LEU 13 -0.046 2.399 -8.876
117 HB3 LEU 13 2HB LEU 13 1.042 2.811 -10.200
118 HG LEU 13 HG LEU 13 1.714 0.457 -10.412
119 HD11 LEU 13 1HD1 LEU 13 0.305 -1.215 -9.021
120 HD12 LEU 13 2HD1 LEU 13 -0.023 0.152 -7.957
121 HD13 LEU 13 3HD1 LEU 13 1.635 -0.398 -8.203
122 HD21 LEU 13 3HD2 LEU 13 -0.369 -0.416 -11.264
123 HD22 LEU 13 1HD2 LEU 13 -0.372 1.325 -11.536
124 HD23 LEU 13 2HD2 LEU 13 -1.302 0.639 -10.204
Start of MODEL 38
1 H1 GLU 1 1H GLU 1 -1.311 -4.721 11.419
2 H2 GLU 1 2H GLU 1 -0.311 -3.762 10.436
3 H3 GLU 1 3H GLU 1 0.375 -4.831 11.564
4 HA GLU 1 HA GLU 1 0.244 -5.457 9.051
5 HB2 GLU 1 1HB GLU 1 0.216 -7.820 9.734
6 HB3 GLU 1 2HB GLU 1 1.168 -6.859 10.864
7 HG2 GLU 1 1HG GLU 1 -0.837 -6.700 12.349
8 HG3 GLU 1 2HG GLU 1 -1.696 -7.779 11.250
9 H LEU 2 H LEU 2 -2.304 -4.107 9.730
10 HA LEU 2 HA LEU 2 -4.313 -6.101 8.876
11 HB2 LEU 2 1HB LEU 2 -4.476 -3.367 10.143
12 HB3 LEU 2 2HB LEU 2 -5.874 -4.066 9.328
13 HG LEU 2 HG LEU 2 -5.673 -6.080 10.786
14 HD11 LEU 2 1HD1 LEU 2 -4.222 -5.679 12.889
15 HD12 LEU 2 2HD1 LEU 2 -3.401 -4.449 11.928
16 HD13 LEU 2 3HD1 LEU 2 -3.388 -6.132 11.405
17 HD21 LEU 2 3HD2 LEU 2 -6.584 -5.021 12.773
18 HD22 LEU 2 1HD2 LEU 2 -7.130 -4.115 11.361
19 HD23 LEU 2 2HD2 LEU 2 -5.816 -3.488 12.357
20 H TYR 3 H TYR 3 -4.152 -2.623 8.229
21 HA TYR 3 HA TYR 3 -4.607 -3.167 5.365
22 HB2 TYR 3 1HB TYR 3 -6.131 -1.606 6.652
23 HB3 TYR 3 2HB TYR 3 -4.760 -0.507 6.798
24 HD1 TYR 3 HD1 TYR 3 -6.846 -2.350 4.312
25 HD2 TYR 3 HD2 TYR 3 -4.169 0.939 5.008
26 HE1 TYR 3 HE1 TYR 3 -7.300 -1.496 2.029
27 HE2 TYR 3 HE2 TYR 3 -4.621 1.786 2.721
28 HH TYR 3 HH TYR 3 -5.753 1.493 0.843
29 H GLU 4 H GLU 4 -2.099 -3.803 6.096
30 HA GLU 4 HA GLU 4 -0.308 -1.545 5.702
31 HB2 GLU 4 1HB GLU 4 1.471 -3.187 6.014
32 HB3 GLU 4 2HB GLU 4 0.261 -3.358 7.286
33 HG2 GLU 4 1HG GLU 4 -0.777 -5.228 6.046
34 HG3 GLU 4 2HG GLU 4 0.454 -5.074 4.790
35 H ASN 5 H ASN 5 -2.229 -2.423 3.597
36 HA ASN 5 HA ASN 5 -0.442 -3.361 1.455
37 HB2 ASN 5 1HB ASN 5 -3.434 -2.921 1.558
38 HB3 ASN 5 2HB ASN 5 -2.559 -3.466 0.129
39 HD21 ASN 5 2HD2 ASN 5 -0.704 -4.958 2.222
40 HD22 ASN 5 1HD2 ASN 5 -1.578 -6.381 2.524
41 H LYS 6 H LYS 6 -0.147 -0.697 2.625
42 HA LYS 6 HA LYS 6 -1.218 1.146 0.648
43 HB2 LYS 6 1HB LYS 6 0.404 1.444 3.165
44 HB3 LYS 6 2HB LYS 6 0.295 2.783 2.029
45 HG2 LYS 6 1HG LYS 6 -2.297 1.463 2.722
46 HG3 LYS 6 2HG LYS 6 -1.524 2.342 4.036
47 HD2 LYS 6 1HD LYS 6 -1.779 3.654 1.331
48 HD3 LYS 6 2HD LYS 6 -3.172 3.608 2.412
49 HE2 LYS 6 1HE LYS 6 -1.989 4.792 4.133
50 HE3 LYS 6 2HE LYS 6 -0.453 4.624 3.280
51 HZ1 LYS 6 3HZ LYS 6 -1.076 6.735 2.708
52 HZ2 LYS 6 1HZ LYS 6 -2.733 6.377 2.685
53 HZ3 LYS 6 2HZ LYS 6 -1.737 5.860 1.410
54 HA PRO 7 HA PRO 7 3.279 1.231 -0.733
55 HB2 PRO 7 1HB PRO 7 5.106 -0.516 0.202
56 HB3 PRO 7 2HB PRO 7 4.596 0.888 1.163
57 HG2 PRO 7 1HG PRO 7 3.865 -1.979 1.470
58 HG3 PRO 7 2HG PRO 7 4.032 -0.719 2.704
59 HD2 PRO 7 1HD PRO 7 1.591 -1.623 1.504
60 HD3 PRO 7 2HD PRO 7 1.791 -0.241 2.596
61 H ARG 8 H ARG 8 1.314 -1.384 -0.799
62 HA ARG 8 HA ARG 8 2.803 -2.945 -2.791
63 HB2 ARG 8 1HB ARG 8 0.080 -3.310 -1.520
64 HB3 ARG 8 2HB ARG 8 0.728 -4.368 -2.775
65 HG2 ARG 8 1HG ARG 8 2.653 -4.915 -1.348
66 HG3 ARG 8 2HG ARG 8 2.056 -3.819 -0.103
67 HD2 ARG 8 1HD ARG 8 1.439 -6.111 0.464
68 HD3 ARG 8 2HD ARG 8 -0.008 -5.184 0.083
69 HE ARG 8 HE ARG 8 -0.310 -6.491 -1.824
70 HH11 ARG 8 1HH2 ARG 8 2.812 -7.004 -0.416
71 HH12 ARG 8 2HH2 ARG 8 3.158 -8.409 -1.367
72 HH21 ARG 8 1HH1 ARG 8 0.138 -8.332 -3.065
73 HH22 ARG 8 2HH1 ARG 8 1.644 -9.162 -2.867
74 H ARG 9 H ARG 9 0.312 -0.632 -2.378
75 HA ARG 9 HA ARG 9 -0.070 -0.435 -5.312
76 HB2 ARG 9 1HB ARG 9 -2.110 -0.038 -3.105
77 HB3 ARG 9 2HB ARG 9 -2.367 0.426 -4.788
78 HG2 ARG 9 1HG ARG 9 -2.090 -1.877 -5.518
79 HG3 ARG 9 2HG ARG 9 -1.676 -2.382 -3.881
80 HD2 ARG 9 1HD ARG 9 -4.308 -1.060 -4.549
81 HD3 ARG 9 2HD ARG 9 -4.088 -2.805 -4.610
82 HE ARG 9 HE ARG 9 -3.192 -2.173 -2.124
83 HH11 ARG 9 1HH2 ARG 9 -6.037 -1.404 -3.936
84 HH12 ARG 9 2HH2 ARG 9 -7.070 -1.327 -2.549
85 HH21 ARG 9 1HH1 ARG 9 -4.542 -2.067 -0.293
86 HH22 ARG 9 2HH1 ARG 9 -6.221 -1.690 -0.485
87 HA PRO 10 HA PRO 10 1.772 3.349 -3.400
88 HB2 PRO 10 1HB PRO 10 3.101 3.604 -6.057
89 HB3 PRO 10 2HB PRO 10 3.820 3.619 -4.434
90 HG2 PRO 10 1HG PRO 10 4.111 1.533 -6.091
91 HG3 PRO 10 2HG PRO 10 3.967 1.320 -4.334
92 HD2 PRO 10 1HD PRO 10 1.872 0.917 -6.459
93 HD3 PRO 10 2HD PRO 10 2.218 -0.059 -5.016
94 H TYR 11 H TYR 11 1.122 5.513 -3.726
95 HA TYR 11 HA TYR 11 -1.202 5.986 -5.248
96 HB2 TYR 11 1HB TYR 11 0.818 7.875 -4.026
97 HB3 TYR 11 2HB TYR 11 -0.665 8.424 -4.809
98 HD1 TYR 11 HD1 TYR 11 -2.894 7.673 -3.922
99 HD2 TYR 11 HD2 TYR 11 0.785 6.913 -1.839
100 HE1 TYR 11 HE1 TYR 11 -4.168 7.198 -1.848
101 HE2 TYR 11 HE2 TYR 11 -0.488 6.438 0.234
102 HH TYR 11 HH TYR 11 -3.317 7.358 0.907
103 H ILE 12 H ILE 12 2.215 6.666 -5.871
104 HA ILE 12 HA ILE 12 1.711 7.899 -8.427
105 HB ILE 12 HB ILE 12 4.170 7.834 -8.668
106 HG12 ILE 12 1HG1 ILE 12 4.160 6.437 -5.973
107 HG13 ILE 12 2HG1 ILE 12 4.464 5.610 -7.501
108 HG21 ILE 12 1HG2 ILE 12 3.424 8.639 -5.849
109 HG22 ILE 12 2HG2 ILE 12 2.935 9.569 -7.266
110 HG23 ILE 12 3HG2 ILE 12 4.646 9.367 -6.891
111 HD11 ILE 12 3HD1 ILE 12 6.598 6.200 -6.502
112 HD12 ILE 12 1HD1 ILE 12 6.089 7.880 -6.326
113 HD13 ILE 12 2HD1 ILE 12 6.344 7.199 -7.933
114 H LEU 13 H LEU 13 1.840 4.742 -7.236
115 HA LEU 13 HA LEU 13 1.786 2.673 -8.198
116 HB2 LEU 13 1HB LEU 13 -0.110 3.558 -9.400
117 HB3 LEU 13 2HB LEU 13 0.943 4.316 -10.592
118 HG LEU 13 HG LEU 13 1.729 2.105 -11.330
119 HD11 LEU 13 1HD1 LEU 13 0.068 1.195 -8.987
120 HD12 LEU 13 2HD1 LEU 13 1.686 0.690 -9.469
121 HD13 LEU 13 3HD1 LEU 13 0.283 0.121 -10.370
122 HD21 LEU 13 3HD2 LEU 13 -1.261 2.539 -11.185
123 HD22 LEU 13 1HD2 LEU 13 -0.549 1.220 -12.115
124 HD23 LEU 13 2HD2 LEU 13 -0.173 2.892 -12.527
Start of MODEL 39
1 H1 GLU 1 1H GLU 1 -0.494 -7.723 8.204
2 H2 GLU 1 2H GLU 1 0.350 -8.525 6.969
3 H3 GLU 1 3H GLU 1 -1.286 -8.886 7.258
4 HA GLU 1 HA GLU 1 -0.189 -6.331 6.221
5 HB2 GLU 1 1HB GLU 1 -1.862 -8.547 5.004
6 HB3 GLU 1 2HB GLU 1 -1.672 -6.961 4.259
7 HG2 GLU 1 1HG GLU 1 0.009 -8.216 3.214
8 HG3 GLU 1 2HG GLU 1 0.893 -7.412 4.502
9 H LEU 2 H LEU 2 -1.268 -5.509 8.273
10 HA LEU 2 HA LEU 2 -4.177 -5.525 8.282
11 HB2 LEU 2 1HB LEU 2 -2.191 -3.954 9.951
12 HB3 LEU 2 2HB LEU 2 -3.927 -4.026 10.231
13 HG LEU 2 HG LEU 2 -2.076 -6.431 10.244
14 HD11 LEU 2 1HD1 LEU 2 -1.553 -5.046 12.147
15 HD12 LEU 2 2HD1 LEU 2 -2.551 -6.382 12.724
16 HD13 LEU 2 3HD1 LEU 2 -3.262 -4.785 12.495
17 HD21 LEU 2 3HD2 LEU 2 -4.216 -7.331 11.517
18 HD22 LEU 2 1HD2 LEU 2 -4.190 -7.310 9.757
19 HD23 LEU 2 2HD2 LEU 2 -5.041 -6.043 10.640
20 H TYR 3 H TYR 3 -2.109 -2.690 8.684
21 HA TYR 3 HA TYR 3 -3.711 -1.254 6.645
22 HB2 TYR 3 1HB TYR 3 -3.716 -0.323 8.969
23 HB3 TYR 3 2HB TYR 3 -1.970 -0.096 8.845
24 HD1 TYR 3 HD1 TYR 3 -5.242 0.874 7.363
25 HD2 TYR 3 HD2 TYR 3 -1.042 1.738 7.619
26 HE1 TYR 3 HE1 TYR 3 -5.608 3.011 6.159
27 HE2 TYR 3 HE2 TYR 3 -1.409 3.871 6.411
28 HH TYR 3 HH TYR 3 -4.294 5.324 6.084
29 H GLU 4 H GLU 4 -1.112 -3.029 6.637
30 HA GLU 4 HA GLU 4 0.832 -1.203 5.473
31 HB2 GLU 4 1HB GLU 4 0.815 -4.192 5.918
32 HB3 GLU 4 2HB GLU 4 2.168 -3.314 5.200
33 HG2 GLU 4 1HG GLU 4 2.375 -1.935 7.212
34 HG3 GLU 4 2HG GLU 4 0.972 -2.731 7.921
35 H ASN 5 H ASN 5 -1.932 -2.178 4.296
36 HA ASN 5 HA ASN 5 -0.989 -3.163 1.688
37 HB2 ASN 5 1HB ASN 5 -3.379 -3.494 1.206
38 HB3 ASN 5 2HB ASN 5 -2.907 -4.306 2.698
39 HD21 ASN 5 2HD2 ASN 5 -5.177 -4.171 3.450
40 HD22 ASN 5 1HD2 ASN 5 -5.800 -2.700 4.025
41 H LYS 6 H LYS 6 -1.153 -0.268 3.102
42 HA LYS 6 HA LYS 6 -2.499 1.195 0.959
43 HB2 LYS 6 1HB LYS 6 -1.779 1.720 3.713
44 HB3 LYS 6 2HB LYS 6 -1.090 2.986 2.706
45 HG2 LYS 6 1HG LYS 6 -3.987 2.141 2.420
46 HG3 LYS 6 2HG LYS 6 -3.485 3.346 3.600
47 HD2 LYS 6 1HD LYS 6 -2.629 4.799 1.897
48 HD3 LYS 6 2HD LYS 6 -2.781 3.546 0.666
49 HE2 LYS 6 1HE LYS 6 -5.094 4.802 2.168
50 HE3 LYS 6 2HE LYS 6 -4.629 5.189 0.512
51 HZ1 LYS 6 3HZ LYS 6 -4.823 2.606 0.249
52 HZ2 LYS 6 1HZ LYS 6 -6.197 3.598 0.140
53 HZ3 LYS 6 2HZ LYS 6 -5.868 2.759 1.581
54 HA PRO 7 HA PRO 7 1.912 2.535 0.003
55 HB2 PRO 7 1HB PRO 7 4.032 1.717 1.437
56 HB3 PRO 7 2HB PRO 7 2.937 2.968 2.059
57 HG2 PRO 7 1HG PRO 7 3.082 0.068 2.755
58 HG3 PRO 7 2HG PRO 7 2.800 1.463 3.810
59 HD2 PRO 7 1HD PRO 7 0.786 -0.200 2.775
60 HD3 PRO 7 2HD PRO 7 0.524 1.433 3.422
61 H ARG 8 H ARG 8 0.762 -0.423 0.060
62 HA ARG 8 HA ARG 8 2.970 -1.853 -1.249
63 HB2 ARG 8 1HB ARG 8 1.403 -3.055 0.319
64 HB3 ARG 8 2HB ARG 8 0.099 -2.706 -0.820
65 HG2 ARG 8 1HG ARG 8 1.222 -3.945 -2.578
66 HG3 ARG 8 2HG ARG 8 2.621 -4.223 -1.539
67 HD2 ARG 8 1HD ARG 8 -0.181 -5.180 -0.902
68 HD3 ARG 8 2HD ARG 8 1.049 -6.181 -1.667
69 HE ARG 8 HE ARG 8 0.932 -5.406 1.122
70 HH11 ARG 8 1HH2 ARG 8 2.911 -6.447 -1.522
71 HH12 ARG 8 2HH2 ARG 8 4.117 -7.168 -0.509
72 HH21 ARG 8 1HH1 ARG 8 2.497 -6.349 2.450
73 HH22 ARG 8 2HH1 ARG 8 3.887 -7.108 1.747
74 H ARG 9 H ARG 9 -0.003 -0.211 -1.767
75 HA ARG 9 HA ARG 9 0.296 -0.439 -4.697
76 HB2 ARG 9 1HB ARG 9 -1.731 -1.617 -3.863
77 HB3 ARG 9 2HB ARG 9 -2.283 -0.103 -3.145
78 HG2 ARG 9 1HG ARG 9 -2.236 0.954 -5.397
79 HG3 ARG 9 2HG ARG 9 -1.752 -0.594 -6.091
80 HD2 ARG 9 1HD ARG 9 -4.138 -0.406 -6.361
81 HD3 ARG 9 2HD ARG 9 -3.841 -1.602 -5.102
82 HE ARG 9 HE ARG 9 -4.161 0.993 -3.965
83 HH11 ARG 9 1HH2 ARG 9 -5.870 -1.608 -5.477
84 HH12 ARG 9 2HH2 ARG 9 -7.355 -1.300 -4.642
85 HH21 ARG 9 1HH1 ARG 9 -6.105 1.405 -2.870
86 HH22 ARG 9 2HH1 ARG 9 -7.487 0.400 -3.157
87 HA PRO 10 HA PRO 10 0.628 3.902 -3.102
88 HB2 PRO 10 1HB PRO 10 2.907 4.644 -4.408
89 HB3 PRO 10 2HB PRO 10 2.931 3.754 -2.871
90 HG2 PRO 10 1HG PRO 10 3.297 2.733 -5.654
91 HG3 PRO 10 2HG PRO 10 4.171 2.303 -4.171
92 HD2 PRO 10 1HD PRO 10 2.148 0.766 -5.232
93 HD3 PRO 10 2HD PRO 10 2.552 0.790 -3.501
94 H TYR 11 H TYR 11 0.357 5.945 -4.281
95 HA TYR 11 HA TYR 11 -1.350 5.838 -6.466
96 HB2 TYR 11 1HB TYR 11 0.556 8.083 -5.743
97 HB3 TYR 11 2HB TYR 11 -0.884 8.232 -6.751
98 HD1 TYR 11 HD1 TYR 11 -3.139 8.013 -5.779
99 HD2 TYR 11 HD2 TYR 11 0.388 7.822 -3.337
100 HE1 TYR 11 HE1 TYR 11 -4.528 8.340 -3.751
101 HE2 TYR 11 HE2 TYR 11 -0.999 8.146 -1.306
102 HH TYR 11 HH TYR 11 -3.735 7.593 -0.844
103 H ILE 12 H ILE 12 2.169 6.224 -6.362
104 HA ILE 12 HA ILE 12 2.579 6.555 -9.149
105 HB ILE 12 HB ILE 12 4.379 5.490 -6.957
106 HG12 ILE 12 1HG1 ILE 12 4.465 8.138 -8.426
107 HG13 ILE 12 2HG1 ILE 12 3.565 7.915 -6.924
108 HG21 ILE 12 1HG2 ILE 12 6.192 6.094 -8.689
109 HG22 ILE 12 2HG2 ILE 12 4.895 6.045 -9.885
110 HG23 ILE 12 3HG2 ILE 12 5.296 4.599 -8.959
111 HD11 ILE 12 3HD1 ILE 12 6.493 7.197 -7.180
112 HD12 ILE 12 1HD1 ILE 12 5.546 7.387 -5.703
113 HD13 ILE 12 2HD1 ILE 12 5.953 8.799 -6.679
114 H LEU 13 H LEU 13 2.524 3.734 -7.022
115 HA LEU 13 HA LEU 13 2.109 1.525 -7.426
116 HB2 LEU 13 1HB LEU 13 0.437 2.454 -9.110
117 HB3 LEU 13 2HB LEU 13 1.671 2.176 -10.333
118 HG LEU 13 HG LEU 13 1.776 -0.242 -9.379
119 HD11 LEU 13 1HD1 LEU 13 -0.856 0.754 -8.251
120 HD12 LEU 13 2HD1 LEU 13 0.453 -0.040 -7.379
121 HD13 LEU 13 3HD1 LEU 13 -0.521 -0.954 -8.524
122 HD21 LEU 13 3HD2 LEU 13 0.924 0.177 -11.595
123 HD22 LEU 13 1HD2 LEU 13 -0.575 0.848 -10.948
124 HD23 LEU 13 2HD2 LEU 13 -0.238 -0.876 -10.787
Start of MODEL 40
1 H1 GLU 1 1H GLU 1 0.592 -4.949 8.084
2 H2 GLU 1 2H GLU 1 1.560 -6.052 7.225
3 H3 GLU 1 3H GLU 1 2.119 -5.381 8.682
4 HA GLU 1 HA GLU 1 0.781 -7.765 8.359
5 HB2 GLU 1 1HB GLU 1 2.440 -7.054 10.125
6 HB3 GLU 1 2HB GLU 1 1.142 -6.143 10.895
7 HG2 GLU 1 1HG GLU 1 1.259 -8.280 11.997
8 HG3 GLU 1 2HG GLU 1 -0.191 -8.288 10.993
9 H LEU 2 H LEU 2 -0.458 -4.600 9.199
10 HA LEU 2 HA LEU 2 -3.122 -5.707 9.836
11 HB2 LEU 2 1HB LEU 2 -1.948 -2.932 10.135
12 HB3 LEU 2 2HB LEU 2 -3.620 -3.340 10.507
13 HG LEU 2 HG LEU 2 -1.226 -4.711 11.771
14 HD11 LEU 2 1HD1 LEU 2 -1.301 -2.319 12.368
15 HD12 LEU 2 2HD1 LEU 2 -1.711 -3.328 13.755
16 HD13 LEU 2 3HD1 LEU 2 -2.983 -2.493 12.865
17 HD21 LEU 2 3HD2 LEU 2 -4.218 -4.892 12.114
18 HD22 LEU 2 1HD2 LEU 2 -3.180 -5.170 13.512
19 HD23 LEU 2 2HD2 LEU 2 -3.019 -6.184 12.085
20 H TYR 3 H TYR 3 -2.832 -2.510 8.592
21 HA TYR 3 HA TYR 3 -4.312 -3.312 6.158
22 HB2 TYR 3 1HB TYR 3 -5.157 -1.061 6.082
23 HB3 TYR 3 2HB TYR 3 -5.357 -1.645 7.731
24 HD1 TYR 3 HD2 TYR 3 -3.478 -1.068 9.434
25 HD2 TYR 3 HD1 TYR 3 -3.979 0.938 5.669
26 HE1 TYR 3 HE2 TYR 3 -2.136 0.841 10.270
27 HE2 TYR 3 HE1 TYR 3 -2.639 2.845 6.503
28 HH TYR 3 HH TYR 3 -2.144 3.782 9.018
29 H GLU 4 H GLU 4 -1.856 -4.001 5.784
30 HA GLU 4 HA GLU 4 -0.173 -1.840 4.831
31 HB2 GLU 4 1HB GLU 4 1.398 -3.651 4.267
32 HB3 GLU 4 2HB GLU 4 0.820 -3.796 5.928
33 HG2 GLU 4 1HG GLU 4 -0.853 -5.461 5.200
34 HG3 GLU 4 2HG GLU 4 -0.264 -5.330 3.544
35 H ASN 5 H ASN 5 -2.759 -2.142 3.527
36 HA ASN 5 HA ASN 5 -2.016 -3.083 0.824
37 HB2 ASN 5 1HB ASN 5 -4.388 -3.024 0.336
38 HB3 ASN 5 2HB ASN 5 -4.135 -3.925 1.828
39 HD21 ASN 5 2HD2 ASN 5 -6.602 -3.162 1.912
40 HD22 ASN 5 1HD2 ASN 5 -6.872 -1.703 2.736
41 H LYS 6 H LYS 6 -1.734 -0.338 2.548
42 HA LYS 6 HA LYS 6 -2.776 1.523 0.560
43 HB2 LYS 6 1HB LYS 6 -2.181 1.654 3.341
44 HB3 LYS 6 2HB LYS 6 -1.083 2.788 2.563
45 HG2 LYS 6 1HG LYS 6 -3.074 3.765 1.356
46 HG3 LYS 6 2HG LYS 6 -4.107 2.734 2.346
47 HD2 LYS 6 1HD LYS 6 -3.099 3.763 4.391
48 HD3 LYS 6 2HD LYS 6 -2.191 4.859 3.351
49 HE2 LYS 6 1HE LYS 6 -4.151 6.059 4.009
50 HE3 LYS 6 2HE LYS 6 -4.429 5.552 2.344
51 HZ1 LYS 6 3HZ LYS 6 -6.161 4.346 2.972
52 HZ2 LYS 6 1HZ LYS 6 -6.023 5.018 4.523
53 HZ3 LYS 6 2HZ LYS 6 -5.258 3.544 4.167
54 HA PRO 7 HA PRO 7 1.830 2.158 -0.211
55 HB2 PRO 7 1HB PRO 7 3.727 0.808 1.146
56 HB3 PRO 7 2HB PRO 7 2.861 2.172 1.885
57 HG2 PRO 7 1HG PRO 7 2.494 -0.755 2.310
58 HG3 PRO 7 2HG PRO 7 2.355 0.579 3.470
59 HD2 PRO 7 1HD PRO 7 0.198 -0.686 2.134
60 HD3 PRO 7 2HD PRO 7 0.112 0.849 3.024
61 H ARG 8 H ARG 8 0.177 -0.522 -0.527
62 HA ARG 8 HA ARG 8 2.145 -2.162 -1.971
63 HB2 ARG 8 1HB ARG 8 0.266 -3.122 -0.484
64 HB3 ARG 8 2HB ARG 8 -0.835 -2.634 -1.777
65 HG2 ARG 8 1HG ARG 8 0.393 -4.006 -3.384
66 HG3 ARG 8 2HG ARG 8 1.573 -4.444 -2.147
67 HD2 ARG 8 1HD ARG 8 -0.042 -6.250 -2.371
68 HD3 ARG 8 2HD ARG 8 -0.266 -5.466 -0.811
69 HE ARG 8 HE ARG 8 -1.973 -4.264 -2.729
70 HH11 ARG 8 1HH2 ARG 8 -1.478 -7.179 -0.934
71 HH12 ARG 8 2HH2 ARG 8 -3.157 -7.603 -0.890
72 HH21 ARG 8 1HH1 ARG 8 -4.181 -4.808 -2.669
73 HH22 ARG 8 2HH1 ARG 8 -4.687 -6.261 -1.872
74 H ARG 9 H ARG 9 -0.523 -0.014 -2.317
75 HA ARG 9 HA ARG 9 -0.192 0.036 -5.257
76 HB2 ARG 9 1HB ARG 9 -2.717 0.426 -3.630
77 HB3 ARG 9 2HB ARG 9 -2.586 0.690 -5.371
78 HG2 ARG 9 1HG ARG 9 -2.189 -1.600 -5.811
79 HG3 ARG 9 2HG ARG 9 -1.787 -1.945 -4.129
80 HD2 ARG 9 1HD ARG 9 -4.144 -2.633 -5.037
81 HD3 ARG 9 2HD ARG 9 -4.020 -1.891 -3.444
82 HE ARG 9 HE ARG 9 -4.384 0.201 -5.234
83 HH11 ARG 9 1HH2 ARG 9 -6.022 -2.682 -4.248
84 HH12 ARG 9 2HH2 ARG 9 -7.607 -2.058 -4.566
85 HH21 ARG 9 1HH1 ARG 9 -6.459 1.028 -5.655
86 HH22 ARG 9 2HH1 ARG 9 -7.855 0.043 -5.364
87 HA PRO 10 HA PRO 10 0.565 4.140 -3.063
88 HB2 PRO 10 1HB PRO 10 3.105 4.601 -3.977
89 HB3 PRO 10 2HB PRO 10 2.766 3.662 -2.508
90 HG2 PRO 10 1HG PRO 10 3.334 2.681 -5.279
91 HG3 PRO 10 2HG PRO 10 4.000 2.120 -3.733
92 HD2 PRO 10 1HD PRO 10 1.982 0.793 -4.955
93 HD3 PRO 10 2HD PRO 10 2.076 0.924 -3.182
94 H TYR 11 H TYR 11 0.890 6.278 -4.144
95 HA TYR 11 HA TYR 11 -0.516 6.592 -6.499
96 HB2 TYR 11 1HB TYR 11 0.674 8.805 -6.694
97 HB3 TYR 11 2HB TYR 11 -0.044 8.504 -5.111
98 HD1 TYR 11 HD2 TYR 11 1.351 7.943 -3.174
99 HD2 TYR 11 HD1 TYR 11 3.093 8.788 -7.008
100 HE1 TYR 11 HE2 TYR 11 3.576 8.189 -2.108
101 HE2 TYR 11 HE1 TYR 11 5.319 9.038 -5.942
102 HH TYR 11 HH TYR 11 5.717 8.666 -2.414
103 H ILE 12 H ILE 12 3.018 6.341 -6.099
104 HA ILE 12 HA ILE 12 3.580 6.477 -8.886
105 HB ILE 12 HB ILE 12 5.243 6.978 -7.073
106 HG12 ILE 12 1HG1 ILE 12 6.151 4.771 -8.942
107 HG13 ILE 12 2HG1 ILE 12 5.834 6.420 -9.484
108 HG21 ILE 12 1HG2 ILE 12 6.309 5.190 -5.893
109 HG22 ILE 12 2HG2 ILE 12 5.511 3.970 -6.887
110 HG23 ILE 12 3HG2 ILE 12 4.577 4.914 -5.732
111 HD11 ILE 12 3HD1 ILE 12 7.775 5.713 -7.267
112 HD12 ILE 12 1HD1 ILE 12 7.538 7.299 -8.002
113 HD13 ILE 12 2HD1 ILE 12 8.249 5.988 -8.942
114 H LEU 13 H LEU 13 2.559 3.959 -6.769
115 HA LEU 13 HA LEU 13 2.076 1.742 -7.082
116 HB2 LEU 13 1HB LEU 13 2.189 2.518 -10.005
117 HB3 LEU 13 2HB LEU 13 1.615 0.973 -9.399
118 HG LEU 13 HG LEU 13 0.429 3.623 -8.539
119 HD11 LEU 13 1HD1 LEU 13 -0.372 1.749 -10.779
120 HD12 LEU 13 2HD1 LEU 13 0.075 3.449 -10.918
121 HD13 LEU 13 3HD1 LEU 13 -1.435 2.996 -10.126
122 HD21 LEU 13 3HD2 LEU 13 -0.321 0.711 -8.190
123 HD22 LEU 13 1HD2 LEU 13 -1.550 1.971 -8.102
124 HD23 LEU 13 2HD2 LEU 13 -0.211 1.970 -6.964