NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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551822 |
2lnf   |
18163 | 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 -1.852 -6.461 6.790
2 H2 GLU 1 2H GLU 1 -2.205 -4.824 7.078
3 H3 GLU 1 3H GLU 1 -2.894 -6.032 8.056
4 HA GLU 1 HA GLU 1 -0.960 -6.438 9.200
5 HB2 GLU 1 1HB GLU 1 0.337 -6.755 7.059
6 HB3 GLU 1 2HB GLU 1 0.553 -5.005 6.995
7 HG2 GLU 1 1HG GLU 1 1.719 -5.032 9.140
8 HG3 GLU 1 2HG GLU 1 1.429 -6.763 9.303
9 H LEU 2 H LEU 2 0.246 -4.981 10.629
10 HA LEU 2 HA LEU 2 -1.164 -2.571 11.155
11 HB2 LEU 2 1HB LEU 2 1.471 -3.629 12.202
12 HB3 LEU 2 2HB LEU 2 0.684 -2.181 12.821
13 HG LEU 2 HG LEU 2 -0.654 -4.898 12.717
14 HD11 LEU 2 1HD1 LEU 2 1.364 -4.898 14.182
15 HD12 LEU 2 2HD1 LEU 2 -0.132 -5.108 15.092
16 HD13 LEU 2 3HD1 LEU 2 0.680 -3.543 15.081
17 HD21 LEU 2 3HD2 LEU 2 -2.391 -3.346 12.949
18 HD22 LEU 2 1HD2 LEU 2 -1.391 -2.190 13.827
19 HD23 LEU 2 2HD2 LEU 2 -1.988 -3.637 14.636
20 H TYR 3 H TYR 3 1.976 -3.275 9.674
21 HA TYR 3 HA TYR 3 2.456 -0.433 9.143
22 HB2 TYR 3 1HB TYR 3 4.092 -2.902 8.512
23 HB3 TYR 3 2HB TYR 3 4.596 -1.244 8.185
24 HD1 TYR 3 HD2 TYR 3 3.889 -3.732 10.818
25 HD2 TYR 3 HD1 TYR 3 5.232 0.263 9.986
26 HE1 TYR 3 HE2 TYR 3 4.718 -3.527 13.146
27 HE2 TYR 3 HE1 TYR 3 6.061 0.468 12.316
28 HH TYR 3 HH TYR 3 6.848 -1.583 14.173
29 H GLU 4 H GLU 4 1.248 0.344 7.502
30 HA GLU 4 HA GLU 4 0.546 -1.292 5.215
31 HB2 GLU 4 1HB GLU 4 0.072 1.623 5.871
32 HB3 GLU 4 2HB GLU 4 -0.518 0.836 4.406
33 HG2 GLU 4 1HG GLU 4 -1.784 -0.776 5.751
34 HG3 GLU 4 2HG GLU 4 -1.153 -0.059 7.232
35 H ASN 5 H ASN 5 1.733 -1.522 3.443
36 HA ASN 5 HA ASN 5 4.035 0.260 2.994
37 HB2 ASN 5 1HB ASN 5 3.298 -2.453 1.882
38 HB3 ASN 5 2HB ASN 5 4.712 -1.530 1.375
39 HD21 ASN 5 2HD2 ASN 5 4.928 -0.494 4.299
40 HD22 ASN 5 1HD2 ASN 5 5.659 -1.787 5.115
41 H LYS 6 H LYS 6 4.458 0.235 0.351
42 HA LYS 6 HA LYS 6 2.214 1.820 -0.680
43 HB2 LYS 6 1HB LYS 6 4.938 1.576 -1.905
44 HB3 LYS 6 2HB LYS 6 3.774 2.897 -2.042
45 HG2 LYS 6 1HG LYS 6 4.032 3.026 0.583
46 HG3 LYS 6 2HG LYS 6 5.537 2.156 0.289
47 HD2 LYS 6 1HD LYS 6 4.753 4.754 -1.043
48 HD3 LYS 6 2HD LYS 6 5.851 4.617 0.328
49 HE2 LYS 6 1HE LYS 6 7.295 3.097 -1.056
50 HE3 LYS 6 2HE LYS 6 6.251 3.440 -2.435
51 HZ1 LYS 6 3HZ LYS 6 6.755 5.897 -1.706
52 HZ2 LYS 6 1HZ LYS 6 7.816 5.042 -2.716
53 HZ3 LYS 6 2HZ LYS 6 8.154 5.183 -1.058
54 HA PRO 7 HA PRO 7 2.697 -1.367 -4.220
55 HB2 PRO 7 1HB PRO 7 3.556 -3.812 -3.673
56 HB3 PRO 7 2HB PRO 7 4.703 -2.458 -3.759
57 HG2 PRO 7 1HG PRO 7 3.565 -3.815 -1.360
58 HG3 PRO 7 2HG PRO 7 5.208 -3.203 -1.633
59 HD2 PRO 7 1HD PRO 7 3.119 -1.810 -0.292
60 HD3 PRO 7 2HD PRO 7 4.648 -1.107 -0.874
61 H ARG 8 H ARG 8 1.228 -1.569 -1.318
62 HA ARG 8 HA ARG 8 -0.762 -3.602 -2.115
63 HB2 ARG 8 1HB ARG 8 -1.509 -3.541 0.205
64 HB3 ARG 8 2HB ARG 8 0.230 -3.812 0.174
65 HG2 ARG 8 1HG ARG 8 0.601 -1.393 0.585
66 HG3 ARG 8 2HG ARG 8 -1.143 -1.153 0.672
67 HD2 ARG 8 1HD ARG 8 -0.304 -1.382 2.928
68 HD3 ARG 8 2HD ARG 8 -1.240 -2.818 2.527
69 HE ARG 8 HE ARG 8 1.546 -3.168 1.943
70 HH11 ARG 8 1HH2 ARG 8 -0.852 -3.119 4.432
71 HH12 ARG 8 2HH2 ARG 8 0.017 -4.182 5.488
72 HH21 ARG 8 1HH1 ARG 8 2.700 -4.566 3.323
73 HH22 ARG 8 2HH1 ARG 8 2.030 -4.998 4.862
74 H ARG 9 H ARG 9 -0.174 -0.274 -1.213
75 HA ARG 9 HA ARG 9 -2.803 0.504 -2.294
76 HB2 ARG 9 1HB ARG 9 -2.840 2.324 -0.688
77 HB3 ARG 9 2HB ARG 9 -2.651 0.778 0.137
78 HG2 ARG 9 1HG ARG 9 -0.090 1.267 -0.087
79 HG3 ARG 9 2HG ARG 9 -0.602 2.934 -0.318
80 HD2 ARG 9 1HD ARG 9 -1.444 1.242 2.053
81 HD3 ARG 9 2HD ARG 9 -0.072 2.339 2.072
82 HE ARG 9 HE ARG 9 -1.552 4.171 2.003
83 HH11 ARG 9 1HH2 ARG 9 -3.196 1.119 1.806
84 HH12 ARG 9 2HH2 ARG 9 -4.759 1.795 2.111
85 HH21 ARG 9 1HH1 ARG 9 -3.601 5.046 2.405
86 HH22 ARG 9 2HH1 ARG 9 -4.989 4.013 2.446
87 HA PRO 10 HA PRO 10 0.977 2.722 -4.248
88 HB2 PRO 10 1HB PRO 10 0.929 1.489 -6.737
89 HB3 PRO 10 2HB PRO 10 1.968 0.983 -5.388
90 HG2 PRO 10 1HG PRO 10 -0.615 -0.169 -6.316
91 HG3 PRO 10 2HG PRO 10 0.825 -0.983 -5.681
92 HD2 PRO 10 1HD PRO 10 -1.406 -0.571 -4.167
93 HD3 PRO 10 2HD PRO 10 0.223 -0.604 -3.486
94 H TYR 11 H TYR 11 0.847 4.328 -5.917
95 HA TYR 11 HA TYR 11 -1.592 5.637 -6.134
96 HB2 TYR 11 1HB TYR 11 0.579 6.730 -6.464
97 HB3 TYR 11 2HB TYR 11 0.790 5.860 -7.983
98 HD1 TYR 11 HD1 TYR 11 -1.468 8.240 -6.206
99 HD2 TYR 11 HD2 TYR 11 -0.171 6.679 -9.994
100 HE1 TYR 11 HE1 TYR 11 -2.779 9.988 -7.374
101 HE2 TYR 11 HE2 TYR 11 -1.487 8.427 -11.162
102 HH TYR 11 HH TYR 11 -2.460 11.122 -9.926
103 H ILE 12 H ILE 12 -1.011 2.732 -7.541
104 HA ILE 12 HA ILE 12 -1.916 3.073 -10.195
105 HB ILE 12 HB ILE 12 -0.833 0.991 -9.234
106 HG12 ILE 12 1HG1 ILE 12 -3.488 0.492 -10.610
107 HG13 ILE 12 2HG1 ILE 12 -2.062 1.109 -11.448
108 HG21 ILE 12 1HG2 ILE 12 -3.640 0.332 -8.316
109 HG22 ILE 12 2HG2 ILE 12 -2.417 0.979 -7.225
110 HG23 ILE 12 3HG2 ILE 12 -2.160 -0.577 -8.015
111 HD11 ILE 12 3HD1 ILE 12 -2.193 -1.331 -11.695
112 HD12 ILE 12 1HD1 ILE 12 -2.238 -1.517 -9.942
113 HD13 ILE 12 2HD1 ILE 12 -0.788 -0.891 -10.725
114 H LEU 13 H LEU 13 -3.531 3.015 -7.141
115 HA LEU 13 HA LEU 13 -6.177 2.499 -8.161
116 HB2 LEU 13 1HB LEU 13 -5.293 3.689 -5.521
117 HB3 LEU 13 2HB LEU 13 -6.899 3.063 -5.889
118 HG LEU 13 HG LEU 13 -4.347 1.420 -5.982
119 HD11 LEU 13 1HD1 LEU 13 -6.566 1.415 -3.912
120 HD12 LEU 13 2HD1 LEU 13 -4.996 2.189 -3.689
121 HD13 LEU 13 3HD1 LEU 13 -5.097 0.439 -3.885
122 HD21 LEU 13 3HD2 LEU 13 -6.211 -0.438 -5.865
123 HD22 LEU 13 1HD2 LEU 13 -5.865 0.328 -7.412
124 HD23 LEU 13 2HD2 LEU 13 -7.270 0.832 -6.473
Start of MODEL 2
1 H1 GLU 1 1H GLU 1 -3.543 -3.372 7.968
2 H2 GLU 1 2H GLU 1 -4.233 -4.043 9.368
3 H3 GLU 1 3H GLU 1 -3.844 -5.040 8.049
4 HA GLU 1 HA GLU 1 -2.278 -5.026 10.056
5 HB2 GLU 1 1HB GLU 1 -1.813 -6.065 7.835
6 HB3 GLU 1 2HB GLU 1 -1.188 -4.515 7.272
7 HG2 GLU 1 1HG GLU 1 0.547 -4.550 8.991
8 HG3 GLU 1 2HG GLU 1 -0.107 -6.048 9.653
9 H LEU 2 H LEU 2 -0.584 -3.915 11.045
10 HA LEU 2 HA LEU 2 -0.854 -1.091 11.158
11 HB2 LEU 2 1HB LEU 2 1.218 -2.998 12.252
12 HB3 LEU 2 2HB LEU 2 1.267 -1.264 12.550
13 HG LEU 2 HG LEU 2 -1.083 -1.429 13.456
14 HD11 LEU 2 1HD1 LEU 2 -0.528 -4.354 12.968
15 HD12 LEU 2 2HD1 LEU 2 -1.972 -3.422 12.575
16 HD13 LEU 2 3HD1 LEU 2 -1.629 -3.849 14.248
17 HD21 LEU 2 3HD2 LEU 2 1.225 -2.906 14.732
18 HD22 LEU 2 1HD2 LEU 2 -0.304 -2.672 15.582
19 HD23 LEU 2 2HD2 LEU 2 0.645 -1.276 15.073
20 H TYR 3 H TYR 3 1.558 -3.233 9.677
21 HA TYR 3 HA TYR 3 3.006 -0.951 8.548
22 HB2 TYR 3 1HB TYR 3 3.494 -3.934 8.432
23 HB3 TYR 3 2HB TYR 3 4.530 -2.727 7.671
24 HD1 TYR 3 HD1 TYR 3 5.666 -0.986 9.106
25 HD2 TYR 3 HD2 TYR 3 3.615 -4.374 10.774
26 HE1 TYR 3 HE1 TYR 3 6.838 -0.635 11.261
27 HE2 TYR 3 HE2 TYR 3 4.790 -4.021 12.929
28 HH TYR 3 HH TYR 3 7.312 -1.560 13.268
29 H GLU 4 H GLU 4 1.923 -0.061 6.857
30 HA GLU 4 HA GLU 4 0.723 -1.836 4.825
31 HB2 GLU 4 1HB GLU 4 -0.381 0.174 3.990
32 HB3 GLU 4 2HB GLU 4 -0.675 -0.005 5.718
33 HG2 GLU 4 1HG GLU 4 1.183 1.595 6.169
34 HG3 GLU 4 2HG GLU 4 1.373 1.822 4.432
35 H ASN 5 H ASN 5 1.546 -2.045 2.821
36 HA ASN 5 HA ASN 5 4.090 -0.674 2.250
37 HB2 ASN 5 1HB ASN 5 3.660 -3.263 2.198
38 HB3 ASN 5 2HB ASN 5 2.963 -2.935 0.622
39 HD21 ASN 5 2HD2 ASN 5 5.322 -0.595 1.003
40 HD22 ASN 5 1HD2 ASN 5 6.627 -1.409 0.290
41 H LYS 6 H LYS 6 4.444 0.239 0.106
42 HA LYS 6 HA LYS 6 2.113 1.683 -0.827
43 HB2 LYS 6 1HB LYS 6 4.968 1.864 -1.761
44 HB3 LYS 6 2HB LYS 6 3.676 3.030 -2.052
45 HG2 LYS 6 1HG LYS 6 3.467 3.059 0.570
46 HG3 LYS 6 2HG LYS 6 5.097 2.385 0.525
47 HD2 LYS 6 1HD LYS 6 5.845 4.286 -0.849
48 HD3 LYS 6 2HD LYS 6 4.213 4.954 -0.805
49 HE2 LYS 6 1HE LYS 6 5.659 6.030 0.890
50 HE3 LYS 6 2HE LYS 6 4.344 5.132 1.650
51 HZ1 LYS 6 3HZ LYS 6 5.905 3.248 1.896
52 HZ2 LYS 6 1HZ LYS 6 6.367 4.621 2.779
53 HZ3 LYS 6 2HZ LYS 6 7.156 4.243 1.322
54 HA PRO 7 HA PRO 7 2.969 -0.639 -4.896
55 HB2 PRO 7 1HB PRO 7 4.428 -2.849 -4.920
56 HB3 PRO 7 2HB PRO 7 5.205 -1.264 -4.721
57 HG2 PRO 7 1HG PRO 7 4.659 -3.364 -2.687
58 HG3 PRO 7 2HG PRO 7 6.026 -2.240 -2.806
59 HD2 PRO 7 1HD PRO 7 3.637 -1.888 -1.239
60 HD3 PRO 7 2HD PRO 7 4.944 -0.705 -1.480
61 H ARG 8 H ARG 8 1.866 -1.860 -2.059
62 HA ARG 8 HA ARG 8 0.255 -4.019 -3.294
63 HB2 ARG 8 1HB ARG 8 0.280 -5.116 -1.265
64 HB3 ARG 8 2HB ARG 8 1.685 -4.116 -0.925
65 HG2 ARG 8 1HG ARG 8 0.196 -2.427 0.148
66 HG3 ARG 8 2HG ARG 8 -1.185 -3.486 -0.141
67 HD2 ARG 8 1HD ARG 8 -0.083 -5.257 1.198
68 HD3 ARG 8 2HD ARG 8 1.234 -4.147 1.552
69 HE ARG 8 HE ARG 8 -1.239 -2.949 2.250
70 HH11 ARG 8 1HH2 ARG 8 0.981 -5.430 3.194
71 HH12 ARG 8 2HH2 ARG 8 0.546 -5.373 4.869
72 HH21 ARG 8 1HH1 ARG 8 -1.816 -2.870 4.439
73 HH22 ARG 8 2HH1 ARG 8 -1.033 -3.912 5.577
74 H ARG 9 H ARG 9 0.368 -1.036 -1.504
75 HA ARG 9 HA ARG 9 -2.476 -0.518 -2.065
76 HB2 ARG 9 1HB ARG 9 -0.881 -0.363 0.388
77 HB3 ARG 9 2HB ARG 9 -1.801 1.105 0.096
78 HG2 ARG 9 1HG ARG 9 -3.876 -0.134 -0.005
79 HG3 ARG 9 2HG ARG 9 -3.013 -1.672 0.037
80 HD2 ARG 9 1HD ARG 9 -2.208 -1.211 2.287
81 HD3 ARG 9 2HD ARG 9 -2.918 0.400 2.246
82 HE ARG 9 HE ARG 9 -5.022 -0.552 2.627
83 HH11 ARG 9 1HH2 ARG 9 -2.620 -2.943 1.931
84 HH12 ARG 9 2HH2 ARG 9 -3.624 -4.283 2.379
85 HH21 ARG 9 1HH1 ARG 9 -6.347 -2.305 3.215
86 HH22 ARG 9 2HH1 ARG 9 -5.734 -3.920 3.105
87 HA PRO 10 HA PRO 10 0.524 2.846 -3.737
88 HB2 PRO 10 1HB PRO 10 0.259 2.296 -6.452
89 HB3 PRO 10 2HB PRO 10 1.585 1.693 -5.440
90 HG2 PRO 10 1HG PRO 10 -0.896 0.310 -6.336
91 HG3 PRO 10 2HG PRO 10 0.746 -0.329 -6.126
92 HD2 PRO 10 1HD PRO 10 -1.245 -0.771 -4.314
93 HD3 PRO 10 2HD PRO 10 0.459 -0.658 -3.859
94 H TYR 11 H TYR 11 -0.265 4.821 -4.460
95 HA TYR 11 HA TYR 11 -3.093 5.201 -4.459
96 HB2 TYR 11 1HB TYR 11 -0.931 7.106 -5.394
97 HB3 TYR 11 2HB TYR 11 -2.578 7.533 -4.931
98 HD1 TYR 11 HD1 TYR 11 -3.340 7.068 -2.540
99 HD2 TYR 11 HD2 TYR 11 0.773 6.874 -3.760
100 HE1 TYR 11 HE1 TYR 11 -2.628 7.244 -0.171
101 HE2 TYR 11 HE2 TYR 11 1.485 7.048 -1.392
102 HH TYR 11 HH TYR 11 -0.903 7.473 1.216
103 H ILE 12 H ILE 12 -0.901 4.182 -6.798
104 HA ILE 12 HA ILE 12 -1.954 5.309 -9.165
105 HB ILE 12 HB ILE 12 -0.502 2.695 -8.661
106 HG12 ILE 12 1HG1 ILE 12 0.499 5.284 -9.881
107 HG13 ILE 12 2HG1 ILE 12 0.637 4.927 -8.158
108 HG21 ILE 12 1HG2 ILE 12 -0.003 2.866 -11.140
109 HG22 ILE 12 2HG2 ILE 12 -1.228 4.130 -11.237
110 HG23 ILE 12 3HG2 ILE 12 -1.685 2.495 -10.769
111 HD11 ILE 12 3HD1 ILE 12 1.770 3.234 -10.407
112 HD12 ILE 12 1HD1 ILE 12 1.896 2.869 -8.687
113 HD13 ILE 12 2HD1 ILE 12 2.702 4.291 -9.347
114 H LEU 13 H LEU 13 -2.704 2.320 -7.398
115 HA LEU 13 HA LEU 13 -4.745 1.510 -9.275
116 HB2 LEU 13 1HB LEU 13 -3.712 0.493 -6.644
117 HB3 LEU 13 2HB LEU 13 -5.263 -0.096 -7.226
118 HG LEU 13 HG LEU 13 -3.216 -1.492 -7.849
119 HD11 LEU 13 1HD1 LEU 13 -4.139 -2.160 -9.896
120 HD12 LEU 13 2HD1 LEU 13 -4.617 -0.525 -10.337
121 HD13 LEU 13 3HD1 LEU 13 -5.509 -1.398 -9.093
122 HD21 LEU 13 3HD2 LEU 13 -2.730 0.593 -9.969
123 HD22 LEU 13 1HD2 LEU 13 -1.693 -0.739 -9.471
124 HD23 LEU 13 2HD2 LEU 13 -1.889 0.660 -8.422
Start of MODEL 3
1 H1 GLU 1 1H GLU 1 -3.303 -1.302 10.700
2 H2 GLU 1 2H GLU 1 -3.467 -2.955 11.061
3 H3 GLU 1 3H GLU 1 -4.635 -2.169 10.110
4 HA GLU 1 HA GLU 1 -2.876 -3.638 8.966
5 HB2 GLU 1 1HB GLU 1 -2.782 -1.854 7.083
6 HB3 GLU 1 2HB GLU 1 -4.368 -2.433 7.593
7 HG2 GLU 1 1HG GLU 1 -4.656 -0.480 9.035
8 HG3 GLU 1 2HG GLU 1 -3.037 0.086 8.633
9 H LEU 2 H LEU 2 -1.001 -3.724 10.394
10 HA LEU 2 HA LEU 2 0.857 -1.582 10.602
11 HB2 LEU 2 1HB LEU 2 1.174 -4.570 10.947
12 HB3 LEU 2 2HB LEU 2 2.447 -3.408 11.304
13 HG LEU 2 HG LEU 2 -0.316 -3.314 12.548
14 HD11 LEU 2 1HD1 LEU 2 0.780 -5.368 13.246
15 HD12 LEU 2 2HD1 LEU 2 0.829 -4.217 14.582
16 HD13 LEU 2 3HD1 LEU 2 2.269 -4.492 13.603
17 HD21 LEU 2 3HD2 LEU 2 2.227 -1.731 12.878
18 HD22 LEU 2 1HD2 LEU 2 1.187 -1.966 14.282
19 HD23 LEU 2 2HD2 LEU 2 0.557 -1.168 12.848
20 H TYR 3 H TYR 3 0.532 -4.316 8.386
21 HA TYR 3 HA TYR 3 2.981 -3.761 6.987
22 HB2 TYR 3 1HB TYR 3 0.595 -5.476 6.258
23 HB3 TYR 3 2HB TYR 3 2.102 -5.416 5.343
24 HD1 TYR 3 HD1 TYR 3 0.539 -6.421 8.537
25 HD2 TYR 3 HD2 TYR 3 4.140 -6.412 6.195
26 HE1 TYR 3 HE1 TYR 3 1.554 -8.068 10.090
27 HE2 TYR 3 HE2 TYR 3 5.153 -8.059 7.745
28 HH TYR 3 HH TYR 3 4.793 -9.411 9.481
29 H GLU 4 H GLU 4 1.873 -1.366 7.059
30 HA GLU 4 HA GLU 4 0.189 -0.832 4.766
31 HB2 GLU 4 1HB GLU 4 0.065 0.501 6.867
32 HB3 GLU 4 2HB GLU 4 1.699 1.083 6.566
33 HG2 GLU 4 1HG GLU 4 0.186 2.767 5.757
34 HG3 GLU 4 2HG GLU 4 0.870 1.976 4.343
35 H ASN 5 H ASN 5 1.567 -1.769 3.120
36 HA ASN 5 HA ASN 5 4.057 -0.302 2.526
37 HB2 ASN 5 1HB ASN 5 2.932 -2.774 1.187
38 HB3 ASN 5 2HB ASN 5 4.564 -2.122 1.026
39 HD21 ASN 5 2HD2 ASN 5 5.206 -1.550 3.703
40 HD22 ASN 5 1HD2 ASN 5 5.221 -2.994 4.595
41 H LYS 6 H LYS 6 4.344 0.825 0.621
42 HA LYS 6 HA LYS 6 1.964 1.925 -0.560
43 HB2 LYS 6 1HB LYS 6 4.800 2.478 -1.379
44 HB3 LYS 6 2HB LYS 6 3.383 3.516 -1.556
45 HG2 LYS 6 1HG LYS 6 3.234 3.309 1.067
46 HG3 LYS 6 2HG LYS 6 4.928 2.833 0.937
47 HD2 LYS 6 1HD LYS 6 5.369 4.922 -0.359
48 HD3 LYS 6 2HD LYS 6 3.695 5.400 -0.086
49 HE2 LYS 6 1HE LYS 6 4.019 5.671 2.232
50 HE3 LYS 6 2HE LYS 6 5.486 4.692 2.238
51 HZ1 LYS 6 3HZ LYS 6 5.635 7.270 2.317
52 HZ2 LYS 6 1HZ LYS 6 5.410 7.155 0.640
53 HZ3 LYS 6 2HZ LYS 6 6.734 6.384 1.372
54 HA PRO 7 HA PRO 7 3.265 -0.364 -4.493
55 HB2 PRO 7 1HB PRO 7 4.768 -2.506 -4.385
56 HB3 PRO 7 2HB PRO 7 5.479 -0.932 -3.965
57 HG2 PRO 7 1HG PRO 7 4.634 -3.156 -2.172
58 HG3 PRO 7 2HG PRO 7 5.991 -2.027 -2.001
59 HD2 PRO 7 1HD PRO 7 3.331 -1.765 -0.865
60 HD3 PRO 7 2HD PRO 7 4.693 -0.620 -0.747
61 H ARG 8 H ARG 8 1.901 -1.639 -1.795
62 HA ARG 8 HA ARG 8 0.452 -3.813 -3.186
63 HB2 ARG 8 1HB ARG 8 0.819 -5.018 -1.275
64 HB3 ARG 8 2HB ARG 8 1.689 -3.659 -0.579
65 HG2 ARG 8 1HG ARG 8 -0.425 -2.719 0.271
66 HG3 ARG 8 2HG ARG 8 -1.321 -4.051 -0.463
67 HD2 ARG 8 1HD ARG 8 0.865 -4.405 1.602
68 HD3 ARG 8 2HD ARG 8 -0.854 -4.367 1.982
69 HE ARG 8 HE ARG 8 -0.459 -6.295 -0.022
70 HH11 ARG 8 1HH2 ARG 8 0.374 -5.663 3.277
71 HH12 ARG 8 2HH2 ARG 8 0.463 -7.336 3.718
72 HH21 ARG 8 1HH1 ARG 8 -0.351 -8.488 0.552
73 HH22 ARG 8 2HH1 ARG 8 0.055 -8.936 2.176
74 H ARG 9 H ARG 9 0.417 -0.871 -1.366
75 HA ARG 9 HA ARG 9 -2.429 -0.431 -1.989
76 HB2 ARG 9 1HB ARG 9 -0.832 0.006 0.479
77 HB3 ARG 9 2HB ARG 9 -2.078 1.195 0.121
78 HG2 ARG 9 1HG ARG 9 -3.795 -0.488 0.111
79 HG3 ARG 9 2HG ARG 9 -2.603 -1.787 0.164
80 HD2 ARG 9 1HD ARG 9 -3.574 -1.429 2.394
81 HD3 ARG 9 2HD ARG 9 -1.864 -1.011 2.393
82 HE ARG 9 HE ARG 9 -2.453 1.215 2.757
83 HH11 ARG 9 1HH2 ARG 9 -5.189 -0.690 1.831
84 HH12 ARG 9 2HH2 ARG 9 -6.345 0.555 2.171
85 HH21 ARG 9 1HH1 ARG 9 -3.962 2.854 3.201
86 HH22 ARG 9 2HH1 ARG 9 -5.650 2.561 2.945
87 HA PRO 10 HA PRO 10 0.518 2.968 -3.640
88 HB2 PRO 10 1HB PRO 10 0.423 2.372 -6.329
89 HB3 PRO 10 2HB PRO 10 1.662 1.720 -5.238
90 HG2 PRO 10 1HG PRO 10 -0.846 0.441 -6.224
91 HG3 PRO 10 2HG PRO 10 0.776 -0.254 -6.024
92 HD2 PRO 10 1HD PRO 10 -1.209 -0.685 -4.219
93 HD3 PRO 10 2HD PRO 10 0.494 -0.568 -3.752
94 H TYR 11 H TYR 11 -0.232 4.877 -4.665
95 HA TYR 11 HA TYR 11 -3.032 5.305 -4.608
96 HB2 TYR 11 1HB TYR 11 -0.808 6.967 -5.820
97 HB3 TYR 11 2HB TYR 11 -2.476 7.511 -5.633
98 HD1 TYR 11 HD1 TYR 11 -3.432 7.940 -3.419
99 HD2 TYR 11 HD2 TYR 11 0.646 6.668 -3.881
100 HE1 TYR 11 HE1 TYR 11 -2.962 8.590 -1.072
101 HE2 TYR 11 HE2 TYR 11 1.115 7.319 -1.535
102 HH TYR 11 HH TYR 11 -1.194 7.832 0.726
103 H ILE 12 H ILE 12 -0.883 4.147 -7.021
104 HA ILE 12 HA ILE 12 -2.270 4.853 -9.373
105 HB ILE 12 HB ILE 12 -0.666 2.341 -8.838
106 HG12 ILE 12 1HG1 ILE 12 0.643 4.293 -8.198
107 HG13 ILE 12 2HG1 ILE 12 1.251 3.676 -9.730
108 HG21 ILE 12 1HG2 ILE 12 -1.843 2.173 -10.926
109 HG22 ILE 12 2HG2 ILE 12 -0.173 2.590 -11.308
110 HG23 ILE 12 3HG2 ILE 12 -1.427 3.830 -11.364
111 HD11 ILE 12 3HD1 ILE 12 1.126 5.975 -10.149
112 HD12 ILE 12 1HD1 ILE 12 -0.342 6.169 -9.196
113 HD13 ILE 12 2HD1 ILE 12 -0.417 5.416 -10.787
114 H LEU 13 H LEU 13 -2.524 2.029 -7.242
115 HA LEU 13 HA LEU 13 -4.654 0.843 -8.789
116 HB2 LEU 13 1HB LEU 13 -3.187 0.206 -6.258
117 HB3 LEU 13 2HB LEU 13 -4.758 -0.547 -6.499
118 HG LEU 13 HG LEU 13 -2.727 -1.871 -7.313
119 HD11 LEU 13 1HD1 LEU 13 -4.617 -1.310 -9.597
120 HD12 LEU 13 2HD1 LEU 13 -5.194 -2.091 -8.128
121 HD13 LEU 13 3HD1 LEU 13 -3.923 -2.844 -9.083
122 HD21 LEU 13 3HD2 LEU 13 -1.737 0.308 -8.369
123 HD22 LEU 13 1HD2 LEU 13 -2.778 -0.078 -9.738
124 HD23 LEU 13 2HD2 LEU 13 -1.540 -1.219 -9.221
Start of MODEL 4
1 H1 GLU 1 1H GLU 1 -3.463 -6.017 8.613
2 H2 GLU 1 2H GLU 1 -3.232 -4.629 7.662
3 H3 GLU 1 3H GLU 1 -3.857 -4.489 9.235
4 HA GLU 1 HA GLU 1 -1.725 -5.434 10.083
5 HB2 GLU 1 1HB GLU 1 -1.058 -6.448 7.912
6 HB3 GLU 1 2HB GLU 1 -0.864 -4.828 7.236
7 HG2 GLU 1 1HG GLU 1 0.860 -4.314 8.902
8 HG3 GLU 1 2HG GLU 1 0.644 -5.901 9.639
9 H LEU 2 H LEU 2 -0.521 -3.887 11.107
10 HA LEU 2 HA LEU 2 -1.387 -1.189 10.929
11 HB2 LEU 2 1HB LEU 2 0.948 -2.490 12.343
12 HB3 LEU 2 2HB LEU 2 0.587 -0.773 12.474
13 HG LEU 2 HG LEU 2 -1.770 -1.451 13.198
14 HD11 LEU 2 1HD1 LEU 2 -1.756 -3.791 14.298
15 HD12 LEU 2 2HD1 LEU 2 -0.387 -4.139 13.244
16 HD13 LEU 2 3HD1 LEU 2 -1.954 -3.722 12.550
17 HD21 LEU 2 3HD2 LEU 2 -0.974 -2.036 15.528
18 HD22 LEU 2 1HD2 LEU 2 -0.203 -0.614 14.827
19 HD23 LEU 2 2HD2 LEU 2 0.658 -2.154 14.869
20 H TYR 3 H TYR 3 1.511 -2.889 9.804
21 HA TYR 3 HA TYR 3 2.571 -0.448 8.577
22 HB2 TYR 3 1HB TYR 3 4.049 -2.110 9.751
23 HB3 TYR 3 2HB TYR 3 3.671 -3.266 8.475
24 HD1 TYR 3 HD2 TYR 3 5.286 -0.018 9.224
25 HD2 TYR 3 HD1 TYR 3 4.600 -3.052 6.263
26 HE1 TYR 3 HE2 TYR 3 7.037 0.990 7.786
27 HE2 TYR 3 HE1 TYR 3 6.352 -2.045 4.825
28 HH TYR 3 HH TYR 3 8.406 -0.595 5.178
29 H GLU 4 H GLU 4 1.708 0.135 6.691
30 HA GLU 4 HA GLU 4 0.754 -1.922 4.802
31 HB2 GLU 4 1HB GLU 4 -0.332 -0.018 3.657
32 HB3 GLU 4 2HB GLU 4 -0.830 -0.148 5.343
33 HG2 GLU 4 1HG GLU 4 0.829 1.584 5.956
34 HG3 GLU 4 2HG GLU 4 1.294 1.730 4.261
35 H ASN 5 H ASN 5 1.560 -2.128 2.750
36 HA ASN 5 HA ASN 5 4.152 -0.818 2.235
37 HB2 ASN 5 1HB ASN 5 2.869 -3.172 0.826
38 HB3 ASN 5 2HB ASN 5 4.533 -2.614 0.654
39 HD21 ASN 5 2HD2 ASN 5 5.862 -2.650 2.758
40 HD22 ASN 5 1HD2 ASN 5 5.543 -3.904 3.857
41 H LYS 6 H LYS 6 4.550 0.283 0.296
42 HA LYS 6 HA LYS 6 2.276 1.658 -0.790
43 HB2 LYS 6 1HB LYS 6 5.205 1.840 -1.481
44 HB3 LYS 6 2HB LYS 6 3.957 2.956 -2.034
45 HG2 LYS 6 1HG LYS 6 4.235 2.437 0.922
46 HG3 LYS 6 2HG LYS 6 5.388 3.511 0.134
47 HD2 LYS 6 1HD LYS 6 3.525 4.887 -0.728
48 HD3 LYS 6 2HD LYS 6 2.369 3.820 0.068
49 HE2 LYS 6 1HE LYS 6 3.079 4.470 2.229
50 HE3 LYS 6 2HE LYS 6 4.575 5.177 1.620
51 HZ1 LYS 6 3HZ LYS 6 1.985 6.352 1.863
52 HZ2 LYS 6 1HZ LYS 6 2.592 6.500 0.286
53 HZ3 LYS 6 2HZ LYS 6 3.489 7.095 1.600
54 HA PRO 7 HA PRO 7 3.111 -0.707 -4.789
55 HB2 PRO 7 1HB PRO 7 4.382 -3.006 -4.778
56 HB3 PRO 7 2HB PRO 7 5.278 -1.514 -4.425
57 HG2 PRO 7 1HG PRO 7 4.367 -3.648 -2.562
58 HG3 PRO 7 2HG PRO 7 5.818 -2.630 -2.486
59 HD2 PRO 7 1HD PRO 7 3.255 -2.157 -1.194
60 HD3 PRO 7 2HD PRO 7 4.720 -1.141 -1.136
61 H ARG 8 H ARG 8 1.760 -1.866 -2.020
62 HA ARG 8 HA ARG 8 0.021 -3.845 -3.374
63 HB2 ARG 8 1HB ARG 8 0.000 -5.079 -1.434
64 HB3 ARG 8 2HB ARG 8 1.427 -4.151 -0.992
65 HG2 ARG 8 1HG ARG 8 -0.051 -2.485 0.144
66 HG3 ARG 8 2HG ARG 8 -1.440 -3.506 -0.228
67 HD2 ARG 8 1HD ARG 8 0.968 -4.398 1.378
68 HD3 ARG 8 2HD ARG 8 -0.570 -3.892 2.070
69 HE ARG 8 HE ARG 8 -0.012 -6.409 0.725
70 HH11 ARG 8 1HH2 ARG 8 -2.370 -4.116 1.801
71 HH12 ARG 8 2HH2 ARG 8 -3.669 -5.261 1.838
72 HH21 ARG 8 1HH1 ARG 8 -1.709 -7.917 0.776
73 HH22 ARG 8 2HH1 ARG 8 -3.294 -7.415 1.256
74 H ARG 9 H ARG 9 0.389 -0.932 -1.552
75 HA ARG 9 HA ARG 9 -2.424 -0.190 -2.020
76 HB2 ARG 9 1HB ARG 9 -0.705 -0.046 0.371
77 HB3 ARG 9 2HB ARG 9 -1.658 1.400 0.081
78 HG2 ARG 9 1HG ARG 9 -3.710 0.210 0.211
79 HG3 ARG 9 2HG ARG 9 -2.909 -1.350 0.027
80 HD2 ARG 9 1HD ARG 9 -2.090 -1.333 2.226
81 HD3 ARG 9 2HD ARG 9 -2.251 0.415 2.379
82 HE ARG 9 HE ARG 9 -4.314 -1.553 2.858
83 HH11 ARG 9 1HH2 ARG 9 -3.577 1.703 1.957
84 HH12 ARG 9 2HH2 ARG 9 -5.079 2.349 2.527
85 HH21 ARG 9 1HH1 ARG 9 -6.285 -0.716 3.614
86 HH22 ARG 9 2HH1 ARG 9 -6.614 0.979 3.467
87 HA PRO 10 HA PRO 10 0.767 2.894 -3.828
88 HB2 PRO 10 1HB PRO 10 0.511 2.303 -6.507
89 HB3 PRO 10 2HB PRO 10 1.724 1.540 -5.460
90 HG2 PRO 10 1HG PRO 10 -0.926 0.496 -6.347
91 HG3 PRO 10 2HG PRO 10 0.630 -0.347 -6.196
92 HD2 PRO 10 1HD PRO 10 -1.323 -0.575 -4.317
93 HD3 PRO 10 2HD PRO 10 0.399 -0.626 -3.916
94 H TYR 11 H TYR 11 0.163 4.851 -4.935
95 HA TYR 11 HA TYR 11 -2.591 5.530 -4.699
96 HB2 TYR 11 1HB TYR 11 -0.342 7.007 -6.090
97 HB3 TYR 11 2HB TYR 11 -1.921 7.686 -5.696
98 HD1 TYR 11 HD1 TYR 11 1.281 6.482 -4.325
99 HD2 TYR 11 HD2 TYR 11 -2.547 8.195 -3.398
100 HE1 TYR 11 HE1 TYR 11 2.083 7.038 -2.044
101 HE2 TYR 11 HE2 TYR 11 -1.747 8.750 -1.118
102 HH TYR 11 HH TYR 11 1.618 8.349 -0.203
103 H ILE 12 H ILE 12 -0.878 3.923 -7.124
104 HA ILE 12 HA ILE 12 -2.162 4.870 -9.461
105 HB ILE 12 HB ILE 12 -1.130 2.077 -8.919
106 HG12 ILE 12 1HG1 ILE 12 0.615 3.694 -8.395
107 HG13 ILE 12 2HG1 ILE 12 0.989 2.930 -9.938
108 HG21 ILE 12 1HG2 ILE 12 -2.467 2.225 -10.948
109 HG22 ILE 12 2HG2 ILE 12 -0.764 2.082 -11.386
110 HG23 ILE 12 3HG2 ILE 12 -1.569 3.649 -11.473
111 HD11 ILE 12 3HD1 ILE 12 -0.296 4.983 -10.965
112 HD12 ILE 12 1HD1 ILE 12 1.360 5.194 -10.404
113 HD13 ILE 12 2HD1 ILE 12 0.015 5.727 -9.398
114 H LEU 13 H LEU 13 -2.939 2.242 -7.212
115 HA LEU 13 HA LEU 13 -5.334 1.490 -8.637
116 HB2 LEU 13 1HB LEU 13 -4.389 0.759 -5.855
117 HB3 LEU 13 2HB LEU 13 -5.700 -0.024 -6.738
118 HG LEU 13 HG LEU 13 -2.815 0.100 -7.669
119 HD11 LEU 13 1HD1 LEU 13 -2.683 -2.243 -7.040
120 HD12 LEU 13 2HD1 LEU 13 -4.379 -2.248 -6.558
121 HD13 LEU 13 3HD1 LEU 13 -3.203 -1.315 -5.634
122 HD21 LEU 13 3HD2 LEU 13 -4.073 -0.164 -9.632
123 HD22 LEU 13 1HD2 LEU 13 -5.354 -1.059 -8.815
124 HD23 LEU 13 2HD2 LEU 13 -3.810 -1.839 -9.161
Start of MODEL 5
1 H1 GLU 1 1H GLU 1 -1.855 -6.023 6.956
2 H2 GLU 1 2H GLU 1 -2.604 -5.559 8.409
3 H3 GLU 1 3H GLU 1 -1.906 -7.102 8.264
4 HA GLU 1 HA GLU 1 -0.112 -6.235 9.229
5 HB2 GLU 1 1HB GLU 1 0.556 -6.386 6.823
6 HB3 GLU 1 2HB GLU 1 0.083 -4.697 6.619
7 HG2 GLU 1 1HG GLU 1 1.723 -4.011 8.311
8 HG3 GLU 1 2HG GLU 1 2.179 -5.694 8.570
9 H LEU 2 H LEU 2 0.553 -4.615 10.583
10 HA LEU 2 HA LEU 2 -1.249 -2.479 11.106
11 HB2 LEU 2 1HB LEU 2 1.559 -3.055 12.078
12 HB3 LEU 2 2HB LEU 2 0.599 -1.695 12.651
13 HG LEU 2 HG LEU 2 -1.221 -3.372 13.253
14 HD11 LEU 2 1HD1 LEU 2 -0.186 -5.716 13.703
15 HD12 LEU 2 2HD1 LEU 2 1.019 -5.253 12.504
16 HD13 LEU 2 3HD1 LEU 2 -0.685 -5.332 12.059
17 HD21 LEU 2 3HD2 LEU 2 0.321 -2.341 14.906
18 HD22 LEU 2 1HD2 LEU 2 1.459 -3.663 14.647
19 HD23 LEU 2 2HD2 LEU 2 -0.122 -3.986 15.360
20 H TYR 3 H TYR 3 1.912 -2.685 9.530
21 HA TYR 3 HA TYR 3 1.866 0.166 8.856
22 HB2 TYR 3 1HB TYR 3 3.900 -2.026 8.388
23 HB3 TYR 3 2HB TYR 3 4.092 -0.369 7.814
24 HD1 TYR 3 HD2 TYR 3 4.281 1.509 9.422
25 HD2 TYR 3 HD1 TYR 3 4.127 -2.581 10.729
26 HE1 TYR 3 HE2 TYR 3 5.119 2.190 11.653
27 HE2 TYR 3 HE1 TYR 3 4.966 -1.898 12.961
28 HH TYR 3 HH TYR 3 6.377 1.064 13.568
29 H GLU 4 H GLU 4 1.286 0.940 6.911
30 HA GLU 4 HA GLU 4 0.209 -0.907 4.934
31 HB2 GLU 4 1HB GLU 4 0.303 2.113 5.093
32 HB3 GLU 4 2HB GLU 4 -0.429 1.225 3.759
33 HG2 GLU 4 1HG GLU 4 -1.984 0.129 5.297
34 HG3 GLU 4 2HG GLU 4 -1.218 0.925 6.670
35 H ASN 5 H ASN 5 1.158 -1.476 3.054
36 HA ASN 5 HA ASN 5 3.847 -0.409 2.495
37 HB2 ASN 5 1HB ASN 5 2.426 -2.862 1.426
38 HB3 ASN 5 2HB ASN 5 4.100 -2.410 1.097
39 HD21 ASN 5 2HD2 ASN 5 2.087 -4.131 3.265
40 HD22 ASN 5 1HD2 ASN 5 3.234 -4.367 4.494
41 H LYS 6 H LYS 6 4.413 0.027 0.223
42 HA LYS 6 HA LYS 6 2.400 1.692 -1.003
43 HB2 LYS 6 1HB LYS 6 5.136 1.170 -2.123
44 HB3 LYS 6 2HB LYS 6 4.143 2.621 -2.255
45 HG2 LYS 6 1HG LYS 6 5.482 1.561 0.249
46 HG3 LYS 6 2HG LYS 6 5.891 3.037 -0.624
47 HD2 LYS 6 1HD LYS 6 3.466 3.774 -0.183
48 HD3 LYS 6 2HD LYS 6 3.396 2.448 0.978
49 HE2 LYS 6 1HE LYS 6 5.467 4.664 1.016
50 HE3 LYS 6 2HE LYS 6 4.033 4.611 2.042
51 HZ1 LYS 6 3HZ LYS 6 5.908 2.338 1.972
52 HZ2 LYS 6 1HZ LYS 6 4.817 2.784 3.192
53 HZ3 LYS 6 2HZ LYS 6 6.234 3.690 2.949
54 HA PRO 7 HA PRO 7 2.544 -1.441 -4.557
55 HB2 PRO 7 1HB PRO 7 3.415 -3.889 -4.189
56 HB3 PRO 7 2HB PRO 7 4.569 -2.537 -4.126
57 HG2 PRO 7 1HG PRO 7 3.388 -4.113 -1.887
58 HG3 PRO 7 2HG PRO 7 5.021 -3.439 -2.049
59 HD2 PRO 7 1HD PRO 7 2.753 -2.211 -0.738
60 HD3 PRO 7 2HD PRO 7 4.368 -1.502 -1.010
61 H ARG 8 H ARG 8 1.221 -1.948 -1.546
62 HA ARG 8 HA ARG 8 -0.882 -3.795 -2.515
63 HB2 ARG 8 1HB ARG 8 -1.346 -4.358 -0.254
64 HB3 ARG 8 2HB ARG 8 0.411 -4.331 -0.335
65 HG2 ARG 8 1HG ARG 8 0.402 -2.029 0.587
66 HG3 ARG 8 2HG ARG 8 -1.354 -2.105 0.734
67 HD2 ARG 8 1HD ARG 8 0.527 -4.084 2.034
68 HD3 ARG 8 2HD ARG 8 -0.145 -2.680 2.856
69 HE ARG 8 HE ARG 8 -2.283 -4.103 1.743
70 HH11 ARG 8 1HH2 ARG 8 0.228 -4.507 4.089
71 HH12 ARG 8 2HH2 ARG 8 -0.688 -5.585 5.089
72 HH21 ARG 8 1HH1 ARG 8 -3.492 -5.514 3.048
73 HH22 ARG 8 2HH1 ARG 8 -2.795 -6.155 4.499
74 H ARG 9 H ARG 9 -0.013 -0.717 -1.185
75 HA ARG 9 HA ARG 9 -2.697 0.352 -1.760
76 HB2 ARG 9 1HB ARG 9 -0.878 0.716 0.563
77 HB3 ARG 9 2HB ARG 9 -1.817 2.116 0.060
78 HG2 ARG 9 1HG ARG 9 -3.883 1.006 0.433
79 HG3 ARG 9 2HG ARG 9 -3.112 -0.578 0.498
80 HD2 ARG 9 1HD ARG 9 -3.755 0.285 2.752
81 HD3 ARG 9 2HD ARG 9 -2.029 -0.021 2.597
82 HE ARG 9 HE ARG 9 -1.685 2.237 2.957
83 HH11 ARG 9 1HH2 ARG 9 -4.895 1.671 1.794
84 HH12 ARG 9 2HH2 ARG 9 -5.392 3.322 1.954
85 HH21 ARG 9 1HH1 ARG 9 -2.330 4.403 3.170
86 HH22 ARG 9 2HH1 ARG 9 -3.939 4.870 2.732
87 HA PRO 10 HA PRO 10 0.897 2.560 -4.032
88 HB2 PRO 10 1HB PRO 10 0.333 1.686 -6.599
89 HB3 PRO 10 2HB PRO 10 1.490 0.880 -5.523
90 HG2 PRO 10 1HG PRO 10 -1.347 0.175 -6.115
91 HG3 PRO 10 2HG PRO 10 0.062 -0.882 -5.893
92 HD2 PRO 10 1HD PRO 10 -1.783 -0.509 -3.933
93 HD3 PRO 10 2HD PRO 10 -0.071 -0.785 -3.589
94 H TYR 11 H TYR 11 0.609 4.471 -5.261
95 HA TYR 11 HA TYR 11 -1.999 5.633 -5.129
96 HB2 TYR 11 1HB TYR 11 0.529 6.601 -6.487
97 HB3 TYR 11 2HB TYR 11 -0.928 7.569 -6.252
98 HD1 TYR 11 HD1 TYR 11 -1.696 8.139 -3.950
99 HD2 TYR 11 HD2 TYR 11 2.047 6.161 -4.675
100 HE1 TYR 11 HE1 TYR 11 -0.944 8.721 -1.659
101 HE2 TYR 11 HE2 TYR 11 2.799 6.744 -2.384
102 HH TYR 11 HH TYR 11 0.612 8.240 -0.060
103 H ILE 12 H ILE 12 -0.573 3.546 -7.328
104 HA ILE 12 HA ILE 12 -1.566 4.522 -9.797
105 HB ILE 12 HB ILE 12 -0.717 1.800 -8.795
106 HG12 ILE 12 1HG1 ILE 12 1.116 2.139 -10.362
107 HG13 ILE 12 2HG1 ILE 12 0.348 3.590 -11.005
108 HG21 ILE 12 1HG2 ILE 12 -1.961 2.505 -11.465
109 HG22 ILE 12 2HG2 ILE 12 -2.421 1.207 -10.364
110 HG23 ILE 12 3HG2 ILE 12 -0.905 1.108 -11.260
111 HD11 ILE 12 3HD1 ILE 12 1.071 3.342 -8.083
112 HD12 ILE 12 1HD1 ILE 12 0.714 4.806 -8.998
113 HD13 ILE 12 2HD1 ILE 12 2.223 3.938 -9.276
114 H LEU 13 H LEU 13 -2.894 2.290 -7.378
115 HA LEU 13 HA LEU 13 -5.360 1.898 -8.828
116 HB2 LEU 13 1HB LEU 13 -4.632 1.234 -5.964
117 HB3 LEU 13 2HB LEU 13 -6.054 0.649 -6.827
118 HG LEU 13 HG LEU 13 -3.185 0.131 -7.671
119 HD11 LEU 13 1HD1 LEU 13 -3.543 -2.141 -6.859
120 HD12 LEU 13 2HD1 LEU 13 -5.199 -1.748 -6.399
121 HD13 LEU 13 3HD1 LEU 13 -3.848 -1.004 -5.546
122 HD21 LEU 13 3HD2 LEU 13 -4.526 -1.704 -9.025
123 HD22 LEU 13 1HD2 LEU 13 -4.436 -0.057 -9.645
124 HD23 LEU 13 2HD2 LEU 13 -5.885 -0.602 -8.800
Start of MODEL 6
1 H1 GLU 1 1H GLU 1 -4.480 -4.083 8.636
2 H2 GLU 1 2H GLU 1 -3.981 -5.599 9.218
3 H3 GLU 1 3H GLU 1 -4.473 -5.424 7.600
4 HA GLU 1 HA GLU 1 -1.977 -5.542 8.104
5 HB2 GLU 1 1HB GLU 1 -1.606 -3.703 6.334
6 HB3 GLU 1 2HB GLU 1 -2.658 -5.048 5.890
7 HG2 GLU 1 1HG GLU 1 -4.639 -3.700 6.463
8 HG3 GLU 1 2HG GLU 1 -3.598 -2.353 6.917
9 H LEU 2 H LEU 2 -0.507 -4.756 9.438
10 HA LEU 2 HA LEU 2 -1.017 -2.468 11.097
11 HB2 LEU 2 1HB LEU 2 1.511 -4.090 10.720
12 HB3 LEU 2 2HB LEU 2 1.212 -2.946 12.025
13 HG LEU 2 HG LEU 2 -0.471 -5.417 11.487
14 HD11 LEU 2 1HD1 LEU 2 1.565 -4.938 13.682
15 HD12 LEU 2 2HD1 LEU 2 1.907 -5.862 12.220
16 HD13 LEU 2 3HD1 LEU 2 0.685 -6.432 13.355
17 HD21 LEU 2 3HD2 LEU 2 -1.107 -4.863 13.964
18 HD22 LEU 2 1HD2 LEU 2 -1.848 -3.909 12.682
19 HD23 LEU 2 2HD2 LEU 2 -0.491 -3.253 13.600
20 H TYR 3 H TYR 3 1.895 -3.103 9.166
21 HA TYR 3 HA TYR 3 2.222 -0.239 8.702
22 HB2 TYR 3 1HB TYR 3 3.958 -2.600 7.933
23 HB3 TYR 3 2HB TYR 3 4.377 -0.906 7.681
24 HD1 TYR 3 HD1 TYR 3 4.648 0.624 9.670
25 HD2 TYR 3 HD2 TYR 3 4.154 -3.627 10.083
26 HE1 TYR 3 HE1 TYR 3 5.477 0.748 12.008
27 HE2 TYR 3 HE2 TYR 3 4.991 -3.495 12.410
28 HH TYR 3 HH TYR 3 6.706 -1.200 13.620
29 H GLU 4 H GLU 4 2.053 0.778 6.760
30 HA GLU 4 HA GLU 4 0.658 -0.684 4.625
31 HB2 GLU 4 1HB GLU 4 1.204 2.274 5.026
32 HB3 GLU 4 2HB GLU 4 0.281 1.591 3.688
33 HG2 GLU 4 1HG GLU 4 -0.422 1.243 6.618
34 HG3 GLU 4 2HG GLU 4 -1.182 2.409 5.535
35 H ASN 5 H ASN 5 1.696 -1.354 2.837
36 HA ASN 5 HA ASN 5 4.488 -0.545 2.461
37 HB2 ASN 5 1HB ASN 5 3.787 -2.948 2.516
38 HB3 ASN 5 2HB ASN 5 2.934 -2.686 1.005
39 HD21 ASN 5 2HD2 ASN 5 4.455 -4.170 -0.119
40 HD22 ASN 5 1HD2 ASN 5 6.037 -3.668 -0.471
41 H LYS 6 H LYS 6 4.899 -0.790 -0.220
42 HA LYS 6 HA LYS 6 3.520 1.600 -1.247
43 HB2 LYS 6 1HB LYS 6 6.136 0.259 -1.890
44 HB3 LYS 6 2HB LYS 6 5.443 1.458 -2.979
45 HG2 LYS 6 1HG LYS 6 6.961 2.591 -1.460
46 HG3 LYS 6 2HG LYS 6 5.314 3.061 -1.049
47 HD2 LYS 6 1HD LYS 6 5.275 1.696 0.876
48 HD3 LYS 6 2HD LYS 6 6.658 0.742 0.339
49 HE2 LYS 6 1HE LYS 6 8.115 2.723 0.608
50 HE3 LYS 6 2HE LYS 6 6.729 3.657 1.173
51 HZ1 LYS 6 3HZ LYS 6 7.860 1.229 2.454
52 HZ2 LYS 6 1HZ LYS 6 6.469 2.043 2.984
53 HZ3 LYS 6 2HZ LYS 6 7.978 2.823 3.036
54 HA PRO 7 HA PRO 7 2.740 -1.395 -4.858
55 HB2 PRO 7 1HB PRO 7 3.301 -3.976 -4.663
56 HB3 PRO 7 2HB PRO 7 4.605 -2.777 -4.799
57 HG2 PRO 7 1HG PRO 7 3.670 -4.283 -2.411
58 HG3 PRO 7 2HG PRO 7 5.307 -3.749 -2.834
59 HD2 PRO 7 1HD PRO 7 3.420 -2.383 -1.136
60 HD3 PRO 7 2HD PRO 7 5.018 -1.802 -1.652
61 H ARG 8 H ARG 8 1.678 -1.877 -1.741
62 HA ARG 8 HA ARG 8 -0.752 -3.352 -2.585
63 HB2 ARG 8 1HB ARG 8 -1.088 -4.018 -0.358
64 HB3 ARG 8 2HB ARG 8 0.660 -4.144 -0.522
65 HG2 ARG 8 1HG ARG 8 0.832 -1.829 0.477
66 HG3 ARG 8 2HG ARG 8 -0.901 -1.916 0.800
67 HD2 ARG 8 1HD ARG 8 1.111 -3.947 1.790
68 HD3 ARG 8 2HD ARG 8 0.468 -2.625 2.759
69 HE ARG 8 HE ARG 8 -1.717 -4.024 1.721
70 HH11 ARG 8 1HH2 ARG 8 0.985 -4.541 3.824
71 HH12 ARG 8 2HH2 ARG 8 0.168 -5.709 4.808
72 HH21 ARG 8 1HH1 ARG 8 -2.781 -5.571 2.996
73 HH22 ARG 8 2HH1 ARG 8 -1.956 -6.295 4.337
74 H ARG 9 H ARG 9 0.676 -0.514 -1.214
75 HA ARG 9 HA ARG 9 -1.862 0.949 -1.475
76 HB2 ARG 9 1HB ARG 9 0.162 0.863 0.680
77 HB3 ARG 9 2HB ARG 9 -0.477 2.459 0.316
78 HG2 ARG 9 1HG ARG 9 -2.134 0.014 1.023
79 HG3 ARG 9 2HG ARG 9 -1.767 1.350 2.104
80 HD2 ARG 9 1HD ARG 9 -2.831 2.657 -0.099
81 HD3 ARG 9 2HD ARG 9 -3.786 1.178 -0.032
82 HE ARG 9 HE ARG 9 -3.641 2.189 2.572
83 HH11 ARG 9 1HH2 ARG 9 -4.877 3.100 -0.542
84 HH12 ARG 9 2HH2 ARG 9 -6.144 4.086 0.113
85 HH21 ARG 9 1HH1 ARG 9 -5.287 3.485 3.411
86 HH22 ARG 9 2HH1 ARG 9 -6.366 4.316 2.343
87 HA PRO 10 HA PRO 10 1.757 2.794 -4.013
88 HB2 PRO 10 1HB PRO 10 0.868 2.119 -6.539
89 HB3 PRO 10 2HB PRO 10 2.005 1.127 -5.608
90 HG2 PRO 10 1HG PRO 10 -0.936 0.790 -5.973
91 HG3 PRO 10 2HG PRO 10 0.348 -0.436 -5.905
92 HD2 PRO 10 1HD PRO 10 -1.283 0.086 -3.781
93 HD3 PRO 10 2HD PRO 10 0.398 -0.435 -3.597
94 H TYR 11 H TYR 11 -1.649 2.849 -3.906
95 HA TYR 11 HA TYR 11 -3.195 4.519 -4.152
96 HB2 TYR 11 1HB TYR 11 -1.288 5.923 -3.165
97 HB3 TYR 11 2HB TYR 11 -0.948 6.425 -4.821
98 HD1 TYR 11 HD1 TYR 11 -3.626 6.297 -2.233
99 HD2 TYR 11 HD2 TYR 11 -2.269 8.083 -5.896
100 HE1 TYR 11 HE1 TYR 11 -5.455 7.963 -2.096
101 HE2 TYR 11 HE2 TYR 11 -4.112 9.743 -5.766
102 HH TYR 11 HH TYR 11 -5.641 10.683 -4.289
103 H ILE 12 H ILE 12 -1.689 3.046 -6.478
104 HA ILE 12 HA ILE 12 -2.515 4.792 -8.712
105 HB ILE 12 HB ILE 12 -0.837 2.275 -8.617
106 HG12 ILE 12 1HG1 ILE 12 -0.110 5.102 -9.436
107 HG13 ILE 12 2HG1 ILE 12 0.137 4.474 -7.807
108 HG21 ILE 12 1HG2 ILE 12 -1.843 2.088 -10.720
109 HG22 ILE 12 2HG2 ILE 12 -0.428 3.062 -11.102
110 HG23 ILE 12 3HG2 ILE 12 -2.003 3.833 -10.918
111 HD11 ILE 12 3HD1 ILE 12 2.186 4.274 -9.187
112 HD12 ILE 12 1HD1 ILE 12 1.303 3.271 -10.335
113 HD13 ILE 12 2HD1 ILE 12 1.582 2.694 -8.694
114 H LEU 13 H LEU 13 -3.880 2.524 -6.782
115 HA LEU 13 HA LEU 13 -5.181 0.891 -8.766
116 HB2 LEU 13 1HB LEU 13 -6.306 1.125 -5.993
117 HB3 LEU 13 2HB LEU 13 -6.081 -0.301 -7.002
118 HG LEU 13 HG LEU 13 -3.477 0.346 -6.649
119 HD11 LEU 13 1HD1 LEU 13 -4.438 2.316 -5.123
120 HD12 LEU 13 2HD1 LEU 13 -2.975 1.448 -4.664
121 HD13 LEU 13 3HD1 LEU 13 -4.517 1.037 -3.913
122 HD21 LEU 13 3HD2 LEU 13 -3.549 -1.201 -4.607
123 HD22 LEU 13 1HD2 LEU 13 -4.272 -1.834 -6.086
124 HD23 LEU 13 2HD2 LEU 13 -5.301 -1.205 -4.799
Start of MODEL 7
1 H1 GLU 1 1H GLU 1 -3.263 -5.441 6.147
2 H2 GLU 1 2H GLU 1 -3.675 -3.997 6.943
3 H3 GLU 1 3H GLU 1 -3.890 -5.493 7.723
4 HA GLU 1 HA GLU 1 -1.736 -5.685 8.299
5 HB2 GLU 1 1HB GLU 1 -1.091 -5.815 5.873
6 HB3 GLU 1 2HB GLU 1 -0.998 -4.054 5.847
7 HG2 GLU 1 1HG GLU 1 1.234 -4.877 6.215
8 HG3 GLU 1 2HG GLU 1 0.673 -4.209 7.744
9 H LEU 2 H LEU 2 -0.714 -4.444 9.823
10 HA LEU 2 HA LEU 2 -1.814 -1.901 10.474
11 HB2 LEU 2 1HB LEU 2 0.644 -3.355 11.479
12 HB3 LEU 2 2HB LEU 2 0.056 -1.843 12.166
13 HG LEU 2 HG LEU 2 -1.628 -4.355 11.936
14 HD11 LEU 2 1HD1 LEU 2 -1.218 -4.564 14.398
15 HD12 LEU 2 2HD1 LEU 2 -0.021 -3.274 14.269
16 HD13 LEU 2 3HD1 LEU 2 0.237 -4.803 13.429
17 HD21 LEU 2 3HD2 LEU 2 -3.159 -2.608 12.203
18 HD22 LEU 2 1HD2 LEU 2 -2.034 -1.614 13.127
19 HD23 LEU 2 2HD2 LEU 2 -2.820 -2.997 13.884
20 H TYR 3 H TYR 3 1.208 -2.949 8.965
21 HA TYR 3 HA TYR 3 2.087 -0.181 8.584
22 HB2 TYR 3 1HB TYR 3 3.739 -1.897 9.225
23 HB3 TYR 3 2HB TYR 3 3.376 -2.794 7.751
24 HD1 TYR 3 HD2 TYR 3 4.649 0.461 9.041
25 HD2 TYR 3 HD1 TYR 3 4.348 -2.178 5.665
26 HE1 TYR 3 HE2 TYR 3 6.257 1.875 7.791
27 HE2 TYR 3 HE1 TYR 3 5.955 -0.762 4.415
28 HH TYR 3 HH TYR 3 7.927 0.947 5.243
29 H GLU 4 H GLU 4 1.693 0.942 6.782
30 HA GLU 4 HA GLU 4 0.379 -0.391 4.526
31 HB2 GLU 4 1HB GLU 4 0.860 2.523 5.197
32 HB3 GLU 4 2HB GLU 4 0.058 1.974 3.727
33 HG2 GLU 4 1HG GLU 4 -1.673 0.859 5.050
34 HG3 GLU 4 2HG GLU 4 -0.850 1.311 6.542
35 H ASN 5 H ASN 5 1.516 -1.061 2.808
36 HA ASN 5 HA ASN 5 4.229 0.020 2.387
37 HB2 ASN 5 1HB ASN 5 3.779 -2.465 2.597
38 HB3 ASN 5 2HB ASN 5 2.996 -2.363 1.031
39 HD21 ASN 5 2HD2 ASN 5 4.782 -3.784 0.187
40 HD22 ASN 5 1HD2 ASN 5 6.293 -3.095 -0.162
41 H LYS 6 H LYS 6 4.740 -0.296 -0.194
42 HA LYS 6 HA LYS 6 3.026 1.730 -1.458
43 HB2 LYS 6 1HB LYS 6 5.723 0.776 -2.391
44 HB3 LYS 6 2HB LYS 6 4.884 2.262 -2.830
45 HG2 LYS 6 1HG LYS 6 5.869 1.564 -0.046
46 HG3 LYS 6 2HG LYS 6 6.651 2.689 -1.155
47 HD2 LYS 6 1HD LYS 6 4.348 3.904 -1.203
48 HD3 LYS 6 2HD LYS 6 3.998 2.976 0.257
49 HE2 LYS 6 1HE LYS 6 6.197 5.001 -0.178
50 HE3 LYS 6 2HE LYS 6 4.915 5.031 1.032
51 HZ1 LYS 6 3HZ LYS 6 6.047 2.734 1.647
52 HZ2 LYS 6 1HZ LYS 6 6.573 4.207 2.304
53 HZ3 LYS 6 2HZ LYS 6 7.406 3.516 0.994
54 HA PRO 7 HA PRO 7 2.960 -1.501 -4.911
55 HB2 PRO 7 1HB PRO 7 4.082 -3.881 -4.638
56 HB3 PRO 7 2HB PRO 7 5.085 -2.421 -4.759
57 HG2 PRO 7 1HG PRO 7 4.458 -4.082 -2.373
58 HG3 PRO 7 2HG PRO 7 5.923 -3.154 -2.746
59 HD2 PRO 7 1HD PRO 7 3.648 -2.295 -1.153
60 HD3 PRO 7 2HD PRO 7 5.114 -1.364 -1.550
61 H ARG 8 H ARG 8 2.012 -2.196 -1.821
62 HA ARG 8 HA ARG 8 -0.055 -4.162 -2.605
63 HB2 ARG 8 1HB ARG 8 0.896 -5.141 -0.724
64 HB3 ARG 8 2HB ARG 8 1.482 -3.609 -0.106
65 HG2 ARG 8 1HG ARG 8 -0.760 -3.013 0.673
66 HG3 ARG 8 2HG ARG 8 -1.416 -4.499 -0.025
67 HD2 ARG 8 1HD ARG 8 0.107 -5.800 1.467
68 HD3 ARG 8 2HD ARG 8 0.639 -4.279 2.184
69 HE ARG 8 HE ARG 8 -1.416 -4.113 3.298
70 HH11 ARG 8 1HH2 ARG 8 -1.384 -6.706 1.003
71 HH12 ARG 8 2HH2 ARG 8 -2.848 -7.424 1.586
72 HH21 ARG 8 1HH1 ARG 8 -3.338 -5.050 4.065
73 HH22 ARG 8 2HH1 ARG 8 -3.955 -6.485 3.316
74 H ARG 9 H ARG 9 0.802 -1.105 -1.229
75 HA ARG 9 HA ARG 9 -1.975 -0.164 -1.442
76 HB2 ARG 9 1HB ARG 9 -0.079 -0.151 0.767
77 HB3 ARG 9 2HB ARG 9 -0.653 1.480 0.424
78 HG2 ARG 9 1HG ARG 9 -2.999 0.666 0.548
79 HG3 ARG 9 2HG ARG 9 -2.403 -0.952 0.920
80 HD2 ARG 9 1HD ARG 9 -2.894 -0.027 3.034
81 HD3 ARG 9 2HD ARG 9 -1.152 0.164 2.877
82 HE ARG 9 HE ARG 9 -1.463 2.468 2.829
83 HH11 ARG 9 1HH2 ARG 9 -4.427 0.785 2.237
84 HH12 ARG 9 2HH2 ARG 9 -5.412 2.209 2.306
85 HH21 ARG 9 1HH1 ARG 9 -2.748 4.341 2.919
86 HH22 ARG 9 2HH1 ARG 9 -4.460 4.223 2.691
87 HA PRO 10 HA PRO 10 1.154 2.427 -3.976
88 HB2 PRO 10 1HB PRO 10 0.289 1.675 -6.504
89 HB3 PRO 10 2HB PRO 10 1.648 0.903 -5.663
90 HG2 PRO 10 1HG PRO 10 -1.179 -0.003 -5.919
91 HG3 PRO 10 2HG PRO 10 0.321 -0.950 -5.941
92 HD2 PRO 10 1HD PRO 10 -1.290 -0.829 -3.749
93 HD3 PRO 10 2HD PRO 10 0.468 -1.006 -3.636
94 H TYR 11 H TYR 11 0.609 4.369 -5.030
95 HA TYR 11 HA TYR 11 -1.914 5.475 -4.410
96 HB2 TYR 11 1HB TYR 11 0.158 6.811 -4.687
97 HB3 TYR 11 2HB TYR 11 0.125 6.466 -6.417
98 HD1 TYR 11 HD1 TYR 11 -1.732 8.096 -3.641
99 HD2 TYR 11 HD2 TYR 11 -1.347 7.636 -7.895
100 HE1 TYR 11 HE1 TYR 11 -3.305 9.982 -3.988
101 HE2 TYR 11 HE2 TYR 11 -2.921 9.522 -8.241
102 HH TYR 11 HH TYR 11 -4.250 11.336 -5.477
103 H ILE 12 H ILE 12 -1.020 3.369 -6.866
104 HA ILE 12 HA ILE 12 -2.545 4.291 -9.056
105 HB ILE 12 HB ILE 12 -1.725 1.496 -8.228
106 HG12 ILE 12 1HG1 ILE 12 -0.658 3.282 -10.431
107 HG13 ILE 12 2HG1 ILE 12 0.041 3.235 -8.812
108 HG21 ILE 12 1HG2 ILE 12 -3.606 1.218 -9.687
109 HG22 ILE 12 2HG2 ILE 12 -2.176 1.009 -10.696
110 HG23 ILE 12 3HG2 ILE 12 -3.068 2.529 -10.738
111 HD11 ILE 12 3HD1 ILE 12 0.458 0.824 -9.043
112 HD12 ILE 12 1HD1 ILE 12 1.236 1.709 -10.354
113 HD13 ILE 12 2HD1 ILE 12 -0.272 0.842 -10.649
114 H LEU 13 H LEU 13 -3.353 2.149 -6.338
115 HA LEU 13 HA LEU 13 -6.064 1.741 -7.243
116 HB2 LEU 13 1HB LEU 13 -4.824 1.183 -4.537
117 HB3 LEU 13 2HB LEU 13 -6.363 0.558 -5.126
118 HG LEU 13 HG LEU 13 -3.655 0.008 -6.379
119 HD11 LEU 13 1HD1 LEU 13 -4.097 -1.068 -4.140
120 HD12 LEU 13 2HD1 LEU 13 -3.867 -2.216 -5.459
121 HD13 LEU 13 3HD1 LEU 13 -5.490 -1.869 -4.866
122 HD21 LEU 13 3HD2 LEU 13 -5.167 -0.189 -8.161
123 HD22 LEU 13 1HD2 LEU 13 -6.490 -0.712 -7.117
124 HD23 LEU 13 2HD2 LEU 13 -5.182 -1.826 -7.513
Start of MODEL 8
1 H1 GLU 1 1H GLU 1 -4.916 -4.430 8.451
2 H2 GLU 1 2H GLU 1 -4.369 -2.978 9.142
3 H3 GLU 1 3H GLU 1 -3.712 -4.462 9.644
4 HA GLU 1 HA GLU 1 -2.771 -4.813 7.443
5 HB2 GLU 1 1HB GLU 1 -2.757 -2.620 6.015
6 HB3 GLU 1 2HB GLU 1 -4.184 -3.653 5.969
7 HG2 GLU 1 1HG GLU 1 -3.948 -1.382 7.946
8 HG3 GLU 1 2HG GLU 1 -4.571 -1.127 6.317
9 H LEU 2 H LEU 2 -1.160 -4.876 9.120
10 HA LEU 2 HA LEU 2 -0.016 -2.540 10.257
11 HB2 LEU 2 1HB LEU 2 0.928 -5.388 9.964
12 HB3 LEU 2 2HB LEU 2 1.949 -4.157 10.700
13 HG LEU 2 HG LEU 2 -0.886 -4.723 11.617
14 HD11 LEU 2 1HD1 LEU 2 1.748 -5.904 12.524
15 HD12 LEU 2 2HD1 LEU 2 0.302 -6.762 11.988
16 HD13 LEU 2 3HD1 LEU 2 0.302 -5.915 13.535
17 HD21 LEU 2 3HD2 LEU 2 1.389 -3.005 12.601
18 HD22 LEU 2 1HD2 LEU 2 0.285 -3.706 13.783
19 HD23 LEU 2 2HD2 LEU 2 -0.334 -2.642 12.527
20 H TYR 3 H TYR 3 0.781 -4.486 7.412
21 HA TYR 3 HA TYR 3 3.120 -2.913 6.776
22 HB2 TYR 3 1HB TYR 3 1.586 -4.968 5.164
23 HB3 TYR 3 2HB TYR 3 3.124 -4.248 4.681
24 HD1 TYR 3 HD2 TYR 3 1.456 -6.441 7.152
25 HD2 TYR 3 HD1 TYR 3 5.200 -4.874 5.744
26 HE1 TYR 3 HE2 TYR 3 2.671 -8.107 8.528
27 HE2 TYR 3 HE1 TYR 3 6.415 -6.542 7.121
28 HH TYR 3 HH TYR 3 4.733 -8.602 9.419
29 H GLU 4 H GLU 4 2.124 -0.807 6.782
30 HA GLU 4 HA GLU 4 0.239 -0.202 4.609
31 HB2 GLU 4 1HB GLU 4 -0.041 0.700 6.964
32 HB3 GLU 4 2HB GLU 4 1.400 1.674 6.682
33 HG2 GLU 4 1HG GLU 4 0.298 2.725 4.728
34 HG3 GLU 4 2HG GLU 4 -1.141 1.757 5.035
35 H ASN 5 H ASN 5 2.349 -0.950 3.299
36 HA ASN 5 HA ASN 5 4.131 1.360 2.867
37 HB2 ASN 5 1HB ASN 5 5.116 -0.871 3.314
38 HB3 ASN 5 2HB ASN 5 4.406 -1.472 1.833
39 HD21 ASN 5 2HD2 ASN 5 5.760 1.802 2.220
40 HD22 ASN 5 1HD2 ASN 5 7.057 1.571 1.149
41 H LYS 6 H LYS 6 4.876 1.092 0.249
42 HA LYS 6 HA LYS 6 2.597 2.248 -1.083
43 HB2 LYS 6 1HB LYS 6 5.267 1.753 -2.356
44 HB3 LYS 6 2HB LYS 6 4.103 3.036 -2.684
45 HG2 LYS 6 1HG LYS 6 5.755 2.689 -0.167
46 HG3 LYS 6 2HG LYS 6 5.922 3.966 -1.371
47 HD2 LYS 6 1HD LYS 6 3.475 4.553 -0.847
48 HD3 LYS 6 2HD LYS 6 3.650 3.517 0.570
49 HE2 LYS 6 1HE LYS 6 4.177 5.716 1.326
50 HE3 LYS 6 2HE LYS 6 5.727 4.894 1.143
51 HZ1 LYS 6 3HZ LYS 6 4.626 6.374 -1.138
52 HZ2 LYS 6 1HZ LYS 6 6.244 6.080 -0.725
53 HZ3 LYS 6 2HZ LYS 6 5.350 7.247 0.126
54 HA PRO 7 HA PRO 7 2.809 -1.496 -3.988
55 HB2 PRO 7 1HB PRO 7 3.816 -3.799 -3.149
56 HB3 PRO 7 2HB PRO 7 4.898 -2.449 -3.553
57 HG2 PRO 7 1HG PRO 7 4.091 -3.483 -0.884
58 HG3 PRO 7 2HG PRO 7 5.633 -2.772 -1.397
59 HD2 PRO 7 1HD PRO 7 3.432 -1.410 -0.119
60 HD3 PRO 7 2HD PRO 7 4.933 -0.684 -0.746
61 H ARG 8 H ARG 8 1.851 -1.327 -0.884
62 HA ARG 8 HA ARG 8 -0.248 -3.367 -0.964
63 HB2 ARG 8 1HB ARG 8 1.426 -2.672 1.049
64 HB3 ARG 8 2HB ARG 8 0.181 -1.462 1.331
65 HG2 ARG 8 1HG ARG 8 -0.306 -4.435 1.116
66 HG3 ARG 8 2HG ARG 8 -0.184 -3.535 2.626
67 HD2 ARG 8 1HD ARG 8 -2.080 -2.090 1.853
68 HD3 ARG 8 2HD ARG 8 -2.246 -3.143 0.452
69 HE ARG 8 HE ARG 8 -2.388 -4.399 3.100
70 HH11 ARG 8 1HH2 ARG 8 -4.003 -3.199 0.272
71 HH12 ARG 8 2HH2 ARG 8 -5.448 -4.110 0.549
72 HH21 ARG 8 1HH1 ARG 8 -4.287 -5.586 3.461
73 HH22 ARG 8 2HH1 ARG 8 -5.611 -5.455 2.351
74 H ARG 9 H ARG 9 0.528 0.026 -0.620
75 HA ARG 9 HA ARG 9 -2.195 0.824 -1.410
76 HB2 ARG 9 1HB ARG 9 -0.265 1.892 0.600
77 HB3 ARG 9 2HB ARG 9 -1.474 2.969 -0.099
78 HG2 ARG 9 1HG ARG 9 -3.232 1.933 0.992
79 HG3 ARG 9 2HG ARG 9 -2.502 0.333 0.876
80 HD2 ARG 9 1HD ARG 9 -2.610 1.141 3.216
81 HD3 ARG 9 2HD ARG 9 -0.954 0.866 2.683
82 HE ARG 9 HE ARG 9 -0.564 3.155 2.869
83 HH11 ARG 9 1HH2 ARG 9 -3.949 2.438 2.952
84 HH12 ARG 9 2HH2 ARG 9 -4.419 4.045 3.395
85 HH21 ARG 9 1HH1 ARG 9 -1.174 5.266 3.445
86 HH22 ARG 9 2HH1 ARG 9 -2.849 5.646 3.671
87 HA PRO 10 HA PRO 10 1.234 2.564 -4.270
88 HB2 PRO 10 1HB PRO 10 0.566 1.124 -6.549
89 HB3 PRO 10 2HB PRO 10 1.823 0.627 -5.402
90 HG2 PRO 10 1HG PRO 10 -0.995 -0.315 -5.645
91 HG3 PRO 10 2HG PRO 10 0.476 -1.228 -5.253
92 HD2 PRO 10 1HD PRO 10 -1.316 -0.476 -3.343
93 HD3 PRO 10 2HD PRO 10 0.419 -0.607 -3.023
94 H TYR 11 H TYR 11 0.845 4.094 -5.943
95 HA TYR 11 HA TYR 11 -1.569 5.482 -5.836
96 HB2 TYR 11 1HB TYR 11 0.459 5.464 -8.085
97 HB3 TYR 11 2HB TYR 11 -0.762 6.705 -7.804
98 HD1 TYR 11 HD2 TYR 11 -0.706 8.033 -5.649
99 HD2 TYR 11 HD1 TYR 11 2.508 5.455 -6.870
100 HE1 TYR 11 HE2 TYR 11 0.817 9.177 -4.060
101 HE2 TYR 11 HE1 TYR 11 4.030 6.598 -5.277
102 HH TYR 11 HH TYR 11 3.934 9.188 -4.185
103 H ILE 12 H ILE 12 -1.039 2.501 -7.220
104 HA ILE 12 HA ILE 12 -2.544 2.637 -9.610
105 HB ILE 12 HB ILE 12 -1.999 0.340 -7.715
106 HG12 ILE 12 1HG1 ILE 12 -0.854 0.943 -10.454
107 HG13 ILE 12 2HG1 ILE 12 -0.083 1.464 -8.955
108 HG21 ILE 12 1HG2 ILE 12 -3.355 0.429 -10.420
109 HG22 ILE 12 2HG2 ILE 12 -3.968 -0.279 -8.926
110 HG23 ILE 12 3HG2 ILE 12 -2.625 -1.041 -9.778
111 HD11 ILE 12 3HD1 ILE 12 0.070 -0.860 -8.195
112 HD12 ILE 12 1HD1 ILE 12 0.844 -0.694 -9.771
113 HD13 ILE 12 2HD1 ILE 12 -0.763 -1.410 -9.648
114 H LEU 13 H LEU 13 -3.451 1.886 -6.259
115 HA LEU 13 HA LEU 13 -6.239 1.509 -6.925
116 HB2 LEU 13 1HB LEU 13 -4.789 1.765 -4.281
117 HB3 LEU 13 2HB LEU 13 -6.512 1.434 -4.428
118 HG LEU 13 HG LEU 13 -4.372 -0.284 -5.718
119 HD11 LEU 13 1HD1 LEU 13 -3.970 -0.493 -3.384
120 HD12 LEU 13 2HD1 LEU 13 -4.987 -1.873 -3.793
121 HD13 LEU 13 3HD1 LEU 13 -5.691 -0.462 -3.003
122 HD21 LEU 13 3HD2 LEU 13 -7.366 -0.490 -5.359
123 HD22 LEU 13 1HD2 LEU 13 -6.397 -1.955 -5.498
124 HD23 LEU 13 2HD2 LEU 13 -6.400 -0.779 -6.805
Start of MODEL 9
1 H1 GLU 1 1H GLU 1 -3.054 -4.661 5.719
2 H2 GLU 1 2H GLU 1 -3.696 -4.267 7.241
3 H3 GLU 1 3H GLU 1 -3.716 -5.877 6.699
4 HA GLU 1 HA GLU 1 -1.852 -6.149 7.859
5 HB2 GLU 1 1HB GLU 1 -1.043 -6.004 5.493
6 HB3 GLU 1 2HB GLU 1 -0.703 -4.291 5.751
7 HG2 GLU 1 1HG GLU 1 0.851 -4.863 7.571
8 HG3 GLU 1 2HG GLU 1 0.501 -6.575 7.344
9 H LEU 2 H LEU 2 -0.561 -5.316 9.519
10 HA LEU 2 HA LEU 2 -1.413 -2.861 10.671
11 HB2 LEU 2 1HB LEU 2 0.931 -4.674 11.282
12 HB3 LEU 2 2HB LEU 2 0.511 -3.269 12.258
13 HG LEU 2 HG LEU 2 -1.427 -5.522 11.650
14 HD11 LEU 2 1HD1 LEU 2 0.498 -6.383 12.916
15 HD12 LEU 2 2HD1 LEU 2 -0.940 -6.326 13.935
16 HD13 LEU 2 3HD1 LEU 2 0.307 -5.091 14.101
17 HD21 LEU 2 3HD2 LEU 2 -2.743 -3.713 12.345
18 HD22 LEU 2 1HD2 LEU 2 -1.484 -3.055 13.389
19 HD23 LEU 2 2HD2 LEU 2 -2.394 -4.478 13.888
20 H TYR 3 H TYR 3 1.495 -3.831 8.897
21 HA TYR 3 HA TYR 3 2.549 -1.096 8.971
22 HB2 TYR 3 1HB TYR 3 3.632 -3.673 7.803
23 HB3 TYR 3 2HB TYR 3 4.463 -2.118 7.722
24 HD1 TYR 3 HD2 TYR 3 5.244 -0.997 9.801
25 HD2 TYR 3 HD1 TYR 3 3.511 -4.927 9.856
26 HE1 TYR 3 HE2 TYR 3 6.146 -1.364 12.082
27 HE2 TYR 3 HE1 TYR 3 4.413 -5.294 12.136
28 HH TYR 3 HH TYR 3 5.480 -4.382 13.857
29 H GLU 4 H GLU 4 2.282 0.323 7.351
30 HA GLU 4 HA GLU 4 0.894 -0.578 4.905
31 HB2 GLU 4 1HB GLU 4 1.371 2.196 6.033
32 HB3 GLU 4 2HB GLU 4 0.456 1.836 4.569
33 HG2 GLU 4 1HG GLU 4 -0.214 0.792 7.337
34 HG3 GLU 4 2HG GLU 4 -1.022 2.143 6.548
35 H ASN 5 H ASN 5 2.208 -1.117 3.281
36 HA ASN 5 HA ASN 5 4.789 0.271 2.961
37 HB2 ASN 5 1HB ASN 5 3.698 -2.330 1.905
38 HB3 ASN 5 2HB ASN 5 5.169 -1.605 1.262
39 HD21 ASN 5 2HD2 ASN 5 5.200 -4.123 2.642
40 HD22 ASN 5 1HD2 ASN 5 6.043 -3.913 4.100
41 H LYS 6 H LYS 6 5.256 -0.087 0.299
42 HA LYS 6 HA LYS 6 3.743 2.091 -0.832
43 HB2 LYS 6 1HB LYS 6 6.333 1.342 -1.025
44 HB3 LYS 6 2HB LYS 6 5.721 0.616 -2.505
45 HG2 LYS 6 1HG LYS 6 6.283 2.753 -3.260
46 HG3 LYS 6 2HG LYS 6 4.584 2.984 -2.850
47 HD2 LYS 6 1HD LYS 6 5.396 3.708 -0.527
48 HD3 LYS 6 2HD LYS 6 7.013 3.779 -1.228
49 HE2 LYS 6 1HE LYS 6 6.233 5.385 -2.914
50 HE3 LYS 6 2HE LYS 6 4.596 5.291 -2.261
51 HZ1 LYS 6 3HZ LYS 6 5.186 6.929 -0.906
52 HZ2 LYS 6 1HZ LYS 6 6.823 6.805 -1.333
53 HZ3 LYS 6 2HZ LYS 6 6.191 5.822 -0.099
54 HA PRO 7 HA PRO 7 2.143 -1.167 -3.837
55 HB2 PRO 7 1HB PRO 7 2.789 -3.751 -3.596
56 HB3 PRO 7 2HB PRO 7 3.956 -2.564 -4.212
57 HG2 PRO 7 1HG PRO 7 3.908 -3.949 -1.608
58 HG3 PRO 7 2HG PRO 7 5.268 -3.192 -2.454
59 HD2 PRO 7 1HD PRO 7 3.555 -2.036 -0.365
60 HD3 PRO 7 2HD PRO 7 5.047 -1.365 -1.075
61 H ARG 8 H ARG 8 1.804 -1.207 -0.628
62 HA ARG 8 HA ARG 8 -0.372 -3.121 -0.344
63 HB2 ARG 8 1HB ARG 8 1.440 -2.277 1.435
64 HB3 ARG 8 2HB ARG 8 0.313 -0.946 1.645
65 HG2 ARG 8 1HG ARG 8 -0.412 -3.869 1.866
66 HG3 ARG 8 2HG ARG 8 -0.059 -2.818 3.233
67 HD2 ARG 8 1HD ARG 8 -1.901 -1.279 2.333
68 HD3 ARG 8 2HD ARG 8 -2.355 -2.628 1.291
69 HE ARG 8 HE ARG 8 -2.160 -3.190 4.158
70 HH11 ARG 8 1HH2 ARG 8 -4.122 -2.480 1.387
71 HH12 ARG 8 2HH2 ARG 8 -5.577 -3.099 2.093
72 HH21 ARG 8 1HH1 ARG 8 -4.068 -4.002 5.079
73 HH22 ARG 8 2HH1 ARG 8 -5.546 -3.959 4.177
74 H ARG 9 H ARG 9 0.499 0.165 -0.708
75 HA ARG 9 HA ARG 9 -2.258 0.967 -1.342
76 HB2 ARG 9 1HB ARG 9 -0.087 2.317 0.211
77 HB3 ARG 9 2HB ARG 9 -1.320 3.286 -0.597
78 HG2 ARG 9 1HG ARG 9 -2.963 2.684 0.904
79 HG3 ARG 9 2HG ARG 9 -2.408 1.013 0.993
80 HD2 ARG 9 1HD ARG 9 -0.797 1.499 2.628
81 HD3 ARG 9 2HD ARG 9 -0.810 3.224 2.269
82 HE ARG 9 HE ARG 9 -2.549 1.863 4.087
83 HH11 ARG 9 1HH2 ARG 9 -2.357 4.420 1.763
84 HH12 ARG 9 2HH2 ARG 9 -3.620 5.359 2.486
85 HH21 ARG 9 1HH1 ARG 9 -4.205 3.088 5.040
86 HH22 ARG 9 2HH1 ARG 9 -4.667 4.604 4.343
87 HA PRO 10 HA PRO 10 0.863 1.672 -4.837
88 HB2 PRO 10 1HB PRO 10 -1.061 0.370 -6.645
89 HB3 PRO 10 2HB PRO 10 0.640 -0.035 -6.348
90 HG2 PRO 10 1HG PRO 10 -1.518 -1.539 -5.507
91 HG3 PRO 10 2HG PRO 10 0.112 -1.623 -4.827
92 HD2 PRO 10 1HD PRO 10 -2.328 -0.385 -3.675
93 HD3 PRO 10 2HD PRO 10 -0.868 -0.977 -2.882
94 H TYR 11 H TYR 11 0.636 3.258 -6.500
95 HA TYR 11 HA TYR 11 -1.573 5.076 -6.120
96 HB2 TYR 11 1HB TYR 11 0.860 5.063 -7.908
97 HB3 TYR 11 2HB TYR 11 -0.395 6.289 -8.075
98 HD1 TYR 11 HD1 TYR 11 2.092 4.827 -5.735
99 HD2 TYR 11 HD2 TYR 11 -0.627 8.065 -6.490
100 HE1 TYR 11 HE1 TYR 11 3.067 6.091 -3.836
101 HE2 TYR 11 HE2 TYR 11 0.347 9.327 -4.592
102 HH TYR 11 HH TYR 11 1.720 9.219 -2.824
103 H ILE 12 H ILE 12 -1.757 2.258 -7.386
104 HA ILE 12 HA ILE 12 -2.578 2.571 -10.073
105 HB ILE 12 HB ILE 12 -1.947 0.405 -8.939
106 HG12 ILE 12 1HG1 ILE 12 -4.682 0.338 -10.243
107 HG13 ILE 12 2HG1 ILE 12 -3.192 0.599 -11.148
108 HG21 ILE 12 1HG2 ILE 12 -3.489 -0.719 -7.539
109 HG22 ILE 12 2HG2 ILE 12 -4.802 0.378 -7.963
110 HG23 ILE 12 3HG2 ILE 12 -3.483 0.939 -6.937
111 HD11 ILE 12 3HD1 ILE 12 -3.807 -1.814 -9.417
112 HD12 ILE 12 1HD1 ILE 12 -2.304 -1.548 -10.302
113 HD13 ILE 12 2HD1 ILE 12 -3.816 -1.782 -11.181
114 H LEU 13 H LEU 13 -4.306 2.777 -6.995
115 HA LEU 13 HA LEU 13 -6.907 3.006 -8.229
116 HB2 LEU 13 1HB LEU 13 -6.039 3.702 -5.411
117 HB3 LEU 13 2HB LEU 13 -7.699 3.515 -5.971
118 HG LEU 13 HG LEU 13 -5.593 1.332 -5.992
119 HD11 LEU 13 1HD1 LEU 13 -6.809 0.375 -4.129
120 HD12 LEU 13 2HD1 LEU 13 -8.042 1.633 -4.233
121 HD13 LEU 13 3HD1 LEU 13 -6.403 2.043 -3.721
122 HD21 LEU 13 3HD2 LEU 13 -8.473 1.485 -6.890
123 HD22 LEU 13 1HD2 LEU 13 -7.806 -0.048 -6.330
124 HD23 LEU 13 2HD2 LEU 13 -7.095 0.763 -7.719
Start of MODEL 10
1 H1 GLU 1 1H GLU 1 -3.891 -4.686 8.145
2 H2 GLU 1 2H GLU 1 -3.022 -6.139 7.991
3 H3 GLU 1 3H GLU 1 -3.959 -5.567 6.696
4 HA GLU 1 HA GLU 1 -1.402 -5.234 6.690
5 HB2 GLU 1 1HB GLU 1 -1.882 -2.920 5.575
6 HB3 GLU 1 2HB GLU 1 -2.622 -4.360 4.877
7 HG2 GLU 1 1HG GLU 1 -4.707 -3.914 6.055
8 HG3 GLU 1 2HG GLU 1 -3.981 -2.541 6.891
9 H LEU 2 H LEU 2 -0.660 -5.121 8.928
10 HA LEU 2 HA LEU 2 -1.090 -2.833 10.561
11 HB2 LEU 2 1HB LEU 2 1.120 -4.902 10.569
12 HB3 LEU 2 2HB LEU 2 0.923 -3.661 11.802
13 HG LEU 2 HG LEU 2 -1.254 -5.641 11.068
14 HD11 LEU 2 1HD1 LEU 2 0.784 -6.767 11.970
15 HD12 LEU 2 2HD1 LEU 2 -0.609 -6.911 13.042
16 HD13 LEU 2 3HD1 LEU 2 0.669 -5.753 13.410
17 HD21 LEU 2 3HD2 LEU 2 -1.895 -4.923 13.542
18 HD22 LEU 2 1HD2 LEU 2 -2.330 -3.889 12.186
19 HD23 LEU 2 2HD2 LEU 2 -0.919 -3.503 13.172
20 H TYR 3 H TYR 3 1.465 -3.737 8.271
21 HA TYR 3 HA TYR 3 2.791 -1.147 8.657
22 HB2 TYR 3 1HB TYR 3 3.533 -3.531 6.937
23 HB3 TYR 3 2HB TYR 3 4.486 -2.056 7.098
24 HD1 TYR 3 HD2 TYR 3 5.634 -1.506 9.192
25 HD2 TYR 3 HD1 TYR 3 3.343 -5.116 8.785
26 HE1 TYR 3 HE2 TYR 3 6.669 -2.395 11.266
27 HE2 TYR 3 HE1 TYR 3 4.376 -6.004 10.855
28 HH TYR 3 HH TYR 3 6.605 -5.590 12.107
29 H GLU 4 H GLU 4 2.597 0.523 7.281
30 HA GLU 4 HA GLU 4 0.776 0.231 4.995
31 HB2 GLU 4 1HB GLU 4 0.673 2.101 6.826
32 HB3 GLU 4 2HB GLU 4 2.004 2.827 5.928
33 HG2 GLU 4 1HG GLU 4 -0.631 2.018 4.659
34 HG3 GLU 4 2HG GLU 4 -0.291 3.639 5.249
35 H ASN 5 H ASN 5 2.101 -0.796 3.467
36 HA ASN 5 HA ASN 5 4.577 0.585 2.662
37 HB2 ASN 5 1HB ASN 5 3.474 -2.149 1.971
38 HB3 ASN 5 2HB ASN 5 4.972 -1.473 1.320
39 HD21 ASN 5 2HD2 ASN 5 4.037 -3.614 3.582
40 HD22 ASN 5 1HD2 ASN 5 5.240 -3.359 4.752
41 H LYS 6 H LYS 6 4.846 0.228 0.073
42 HA LYS 6 HA LYS 6 2.699 1.867 -1.065
43 HB2 LYS 6 1HB LYS 6 5.528 1.268 -1.892
44 HB3 LYS 6 2HB LYS 6 4.406 2.123 -2.949
45 HG2 LYS 6 1HG LYS 6 5.681 3.761 -1.697
46 HG3 LYS 6 2HG LYS 6 4.015 3.784 -1.119
47 HD2 LYS 6 1HD LYS 6 4.559 2.733 0.908
48 HD3 LYS 6 2HD LYS 6 6.038 2.019 0.261
49 HE2 LYS 6 1HE LYS 6 5.657 5.001 0.647
50 HE3 LYS 6 2HE LYS 6 6.415 3.956 1.849
51 HZ1 LYS 6 3HZ LYS 6 8.120 4.887 0.510
52 HZ2 LYS 6 1HZ LYS 6 7.328 4.459 -0.929
53 HZ3 LYS 6 2HZ LYS 6 7.982 3.253 0.072
54 HA PRO 7 HA PRO 7 2.604 -1.763 -4.152
55 HB2 PRO 7 1HB PRO 7 3.541 -4.127 -3.497
56 HB3 PRO 7 2HB PRO 7 4.673 -2.787 -3.777
57 HG2 PRO 7 1HG PRO 7 3.733 -3.952 -1.193
58 HG3 PRO 7 2HG PRO 7 5.353 -3.386 -1.643
59 HD2 PRO 7 1HD PRO 7 3.346 -1.858 -0.280
60 HD3 PRO 7 2HD PRO 7 4.866 -1.238 -0.976
61 H ARG 8 H ARG 8 1.583 -1.787 -1.001
62 HA ARG 8 HA ARG 8 -0.594 -3.744 -1.472
63 HB2 ARG 8 1HB ARG 8 -0.951 -3.733 0.940
64 HB3 ARG 8 2HB ARG 8 0.739 -4.108 0.620
65 HG2 ARG 8 1HG ARG 8 1.347 -1.766 1.084
66 HG3 ARG 8 2HG ARG 8 -0.346 -1.390 1.421
67 HD2 ARG 8 1HD ARG 8 0.726 -1.839 3.543
68 HD3 ARG 8 2HD ARG 8 -0.320 -3.203 3.171
69 HE ARG 8 HE ARG 8 2.338 -3.619 2.192
70 HH11 ARG 8 1HH2 ARG 8 0.307 -3.693 4.998
71 HH12 ARG 8 2HH2 ARG 8 1.290 -4.843 5.843
72 HH21 ARG 8 1HH1 ARG 8 3.636 -5.123 3.316
73 HH22 ARG 8 2HH1 ARG 8 3.168 -5.635 4.903
74 H ARG 9 H ARG 9 0.391 -0.517 -0.680
75 HA ARG 9 HA ARG 9 -2.334 0.485 -1.156
76 HB2 ARG 9 1HB ARG 9 -0.240 1.292 0.815
77 HB3 ARG 9 2HB ARG 9 -1.429 2.473 0.285
78 HG2 ARG 9 1HG ARG 9 -2.358 -0.237 1.238
79 HG3 ARG 9 2HG ARG 9 -1.908 0.986 2.422
80 HD2 ARG 9 1HD ARG 9 -3.955 1.366 0.222
81 HD3 ARG 9 2HD ARG 9 -4.330 1.037 1.907
82 HE ARG 9 HE ARG 9 -2.686 3.293 1.871
83 HH11 ARG 9 1HH2 ARG 9 -5.786 2.261 0.722
84 HH12 ARG 9 2HH2 ARG 9 -6.472 3.852 0.731
85 HH21 ARG 9 1HH1 ARG 9 -3.592 5.395 1.869
86 HH22 ARG 9 2HH1 ARG 9 -5.243 5.608 1.385
87 HA PRO 10 HA PRO 10 1.003 2.380 -4.031
88 HB2 PRO 10 1HB PRO 10 0.233 1.151 -6.402
89 HB3 PRO 10 2HB PRO 10 1.522 0.537 -5.350
90 HG2 PRO 10 1HG PRO 10 -1.312 -0.344 -5.579
91 HG3 PRO 10 2HG PRO 10 0.154 -1.303 -5.315
92 HD2 PRO 10 1HD PRO 10 -1.577 -0.691 -3.301
93 HD3 PRO 10 2HD PRO 10 0.160 -0.895 -3.043
94 H TYR 11 H TYR 11 0.532 4.102 -5.502
95 HA TYR 11 HA TYR 11 -2.158 5.117 -5.311
96 HB2 TYR 11 1HB TYR 11 0.313 6.162 -6.714
97 HB3 TYR 11 2HB TYR 11 -1.235 7.008 -6.684
98 HD1 TYR 11 HD2 TYR 11 -2.162 7.895 -4.604
99 HD2 TYR 11 HD1 TYR 11 1.677 5.964 -4.691
100 HE1 TYR 11 HE2 TYR 11 -1.651 8.808 -2.359
101 HE2 TYR 11 HE1 TYR 11 2.190 6.887 -2.447
102 HH TYR 11 HH TYR 11 1.154 9.188 -1.126
103 H ILE 12 H ILE 12 -1.427 2.627 -6.880
104 HA ILE 12 HA ILE 12 -1.845 3.127 -9.637
105 HB ILE 12 HB ILE 12 -0.890 1.031 -8.579
106 HG12 ILE 12 1HG1 ILE 12 -3.217 0.529 -10.458
107 HG13 ILE 12 2HG1 ILE 12 -1.682 1.225 -10.981
108 HG21 ILE 12 1HG2 ILE 12 -2.360 -0.638 -7.726
109 HG22 ILE 12 2HG2 ILE 12 -3.791 0.266 -8.221
110 HG23 ILE 12 3HG2 ILE 12 -2.786 0.862 -6.902
111 HD11 ILE 12 3HD1 ILE 12 -2.011 -1.457 -9.604
112 HD12 ILE 12 1HD1 ILE 12 -0.489 -0.772 -10.174
113 HD13 ILE 12 2HD1 ILE 12 -1.741 -1.231 -11.330
114 H LEU 13 H LEU 13 -4.014 2.508 -6.930
115 HA LEU 13 HA LEU 13 -6.389 2.311 -8.557
116 HB2 LEU 13 1HB LEU 13 -6.151 2.849 -5.585
117 HB3 LEU 13 2HB LEU 13 -7.593 2.321 -6.447
118 HG LEU 13 HG LEU 13 -5.018 0.724 -6.285
119 HD11 LEU 13 1HD1 LEU 13 -7.664 0.367 -4.845
120 HD12 LEU 13 2HD1 LEU 13 -6.152 0.891 -4.103
121 HD13 LEU 13 3HD1 LEU 13 -6.292 -0.740 -4.760
122 HD21 LEU 13 3HD2 LEU 13 -7.726 0.273 -7.555
123 HD22 LEU 13 1HD2 LEU 13 -6.726 -1.094 -7.065
124 HD23 LEU 13 2HD2 LEU 13 -6.125 0.048 -8.262
Start of MODEL 11
1 H1 GLU 1 1H GLU 1 -2.591 -6.030 8.209
2 H2 GLU 1 2H GLU 1 -1.906 -7.185 7.169
3 H3 GLU 1 3H GLU 1 -2.098 -5.580 6.649
4 HA GLU 1 HA GLU 1 -0.166 -6.676 8.593
5 HB2 GLU 1 1HB GLU 1 0.417 -6.488 6.165
6 HB3 GLU 1 2HB GLU 1 0.114 -4.751 6.261
7 HG2 GLU 1 1HG GLU 1 1.859 -4.524 7.972
8 HG3 GLU 1 2HG GLU 1 2.147 -6.262 7.928
9 H LEU 2 H LEU 2 0.691 -5.346 10.163
10 HA LEU 2 HA LEU 2 -0.896 -3.168 11.081
11 HB2 LEU 2 1HB LEU 2 1.949 -3.830 11.873
12 HB3 LEU 2 2HB LEU 2 0.773 -2.906 12.807
13 HG LEU 2 HG LEU 2 0.502 -5.827 12.035
14 HD11 LEU 2 1HD1 LEU 2 0.870 -6.272 14.408
15 HD12 LEU 2 2HD1 LEU 2 1.006 -4.544 14.737
16 HD13 LEU 2 3HD1 LEU 2 2.233 -5.356 13.766
17 HD21 LEU 2 3HD2 LEU 2 -1.295 -3.872 13.476
18 HD22 LEU 2 1HD2 LEU 2 -1.379 -5.596 13.843
19 HD23 LEU 2 2HD2 LEU 2 -1.708 -5.028 12.209
20 H TYR 3 H TYR 3 2.171 -3.399 9.339
21 HA TYR 3 HA TYR 3 2.415 -0.488 9.165
22 HB2 TYR 3 1HB TYR 3 4.394 -2.054 9.496
23 HB3 TYR 3 2HB TYR 3 4.146 -2.576 7.830
24 HD1 TYR 3 HD1 TYR 3 4.736 0.441 9.946
25 HD2 TYR 3 HD2 TYR 3 4.962 -1.280 6.017
26 HE1 TYR 3 HE1 TYR 3 5.978 2.432 9.145
27 HE2 TYR 3 HE2 TYR 3 6.202 0.710 5.216
28 HH TYR 3 HH TYR 3 6.270 3.329 6.138
29 H GLU 4 H GLU 4 1.625 0.663 7.505
30 HA GLU 4 HA GLU 4 0.391 -0.745 5.259
31 HB2 GLU 4 1HB GLU 4 0.414 2.182 6.039
32 HB3 GLU 4 2HB GLU 4 -0.501 1.503 4.693
33 HG2 GLU 4 1HG GLU 4 -0.803 0.621 7.577
34 HG3 GLU 4 2HG GLU 4 -1.867 1.775 6.777
35 H ASN 5 H ASN 5 1.629 -1.204 3.510
36 HA ASN 5 HA ASN 5 3.873 0.605 2.858
37 HB2 ASN 5 1HB ASN 5 4.200 -1.892 3.201
38 HB3 ASN 5 2HB ASN 5 3.357 -2.128 1.684
39 HD21 ASN 5 2HD2 ASN 5 5.142 0.818 1.692
40 HD22 ASN 5 1HD2 ASN 5 6.503 0.256 0.855
41 H LYS 6 H LYS 6 4.217 0.381 0.185
42 HA LYS 6 HA LYS 6 1.824 1.742 -0.848
43 HB2 LYS 6 1HB LYS 6 4.703 1.686 -1.724
44 HB3 LYS 6 2HB LYS 6 3.437 2.430 -2.695
45 HG2 LYS 6 1HG LYS 6 4.393 4.178 -1.362
46 HG3 LYS 6 2HG LYS 6 2.817 3.819 -0.664
47 HD2 LYS 6 1HD LYS 6 3.752 2.685 1.182
48 HD3 LYS 6 2HD LYS 6 5.303 2.453 0.374
49 HE2 LYS 6 1HE LYS 6 5.520 4.205 2.060
50 HE3 LYS 6 2HE LYS 6 5.668 4.922 0.455
51 HZ1 LYS 6 3HZ LYS 6 2.959 4.872 1.148
52 HZ2 LYS 6 1HZ LYS 6 3.957 6.223 0.920
53 HZ3 LYS 6 2HZ LYS 6 3.812 5.527 2.464
54 HA PRO 7 HA PRO 7 2.089 -1.749 -4.058
55 HB2 PRO 7 1HB PRO 7 2.562 -4.178 -3.200
56 HB3 PRO 7 2HB PRO 7 3.898 -3.005 -3.198
57 HG2 PRO 7 1HG PRO 7 2.203 -3.931 -0.916
58 HG3 PRO 7 2HG PRO 7 3.955 -3.648 -0.968
59 HD2 PRO 7 1HD PRO 7 1.985 -1.767 -0.097
60 HD3 PRO 7 2HD PRO 7 3.690 -1.428 -0.475
61 H ARG 8 H ARG 8 0.626 -1.514 -1.125
62 HA ARG 8 HA ARG 8 -1.788 -3.061 -1.851
63 HB2 ARG 8 1HB ARG 8 -2.303 -3.176 0.487
64 HB3 ARG 8 2HB ARG 8 -0.592 -3.574 0.374
65 HG2 ARG 8 1HG ARG 8 -0.043 -1.203 0.915
66 HG3 ARG 8 2HG ARG 8 -1.760 -0.890 1.153
67 HD2 ARG 8 1HD ARG 8 -0.220 -3.022 2.634
68 HD3 ARG 8 2HD ARG 8 -0.535 -1.412 3.267
69 HE ARG 8 HE ARG 8 -3.020 -2.157 2.724
70 HH11 ARG 8 1HH2 ARG 8 -0.415 -3.960 4.137
71 HH12 ARG 8 2HH2 ARG 8 -1.457 -5.006 5.043
72 HH21 ARG 8 1HH1 ARG 8 -4.378 -3.526 3.912
73 HH22 ARG 8 2HH1 ARG 8 -3.695 -4.761 4.915
74 H ARG 9 H ARG 9 -0.255 -0.090 -1.041
75 HA ARG 9 HA ARG 9 -2.688 1.461 -1.644
76 HB2 ARG 9 1HB ARG 9 -0.615 1.744 0.472
77 HB3 ARG 9 2HB ARG 9 -1.248 3.235 -0.214
78 HG2 ARG 9 1HG ARG 9 -3.498 2.671 0.409
79 HG3 ARG 9 2HG ARG 9 -3.031 1.030 0.844
80 HD2 ARG 9 1HD ARG 9 -3.305 2.513 2.833
81 HD3 ARG 9 2HD ARG 9 -1.678 1.854 2.691
82 HE ARG 9 HE ARG 9 -1.510 4.244 1.385
83 HH11 ARG 9 1HH2 ARG 9 -2.659 3.220 4.484
84 HH12 ARG 9 2HH2 ARG 9 -2.262 4.708 5.277
85 HH21 ARG 9 1HH1 ARG 9 -0.988 6.198 2.415
86 HH22 ARG 9 2HH1 ARG 9 -1.317 6.396 4.104
87 HA PRO 10 HA PRO 10 1.092 2.498 -4.411
88 HB2 PRO 10 1HB PRO 10 0.369 1.231 -6.739
89 HB3 PRO 10 2HB PRO 10 1.350 0.448 -5.481
90 HG2 PRO 10 1HG PRO 10 -1.584 0.220 -6.004
91 HG3 PRO 10 2HG PRO 10 -0.406 -1.043 -5.585
92 HD2 PRO 10 1HD PRO 10 -2.082 0.029 -3.732
93 HD3 PRO 10 2HD PRO 10 -0.447 -0.515 -3.342
94 H TYR 11 H TYR 11 1.057 4.009 -6.194
95 HA TYR 11 HA TYR 11 -1.225 5.718 -6.195
96 HB2 TYR 11 1HB TYR 11 1.325 5.660 -7.812
97 HB3 TYR 11 2HB TYR 11 0.076 6.874 -8.078
98 HD1 TYR 11 HD2 TYR 11 2.450 5.489 -5.580
99 HD2 TYR 11 HD1 TYR 11 -0.266 8.677 -6.537
100 HE1 TYR 11 HE2 TYR 11 3.314 6.802 -3.662
101 HE2 TYR 11 HE1 TYR 11 0.599 9.990 -4.619
102 HH TYR 11 HH TYR 11 1.762 9.362 -2.343
103 H ILE 12 H ILE 12 -0.401 2.938 -8.004
104 HA ILE 12 HA ILE 12 -1.659 3.506 -10.468
105 HB ILE 12 HB ILE 12 -1.219 0.892 -9.004
106 HG12 ILE 12 1HG1 ILE 12 0.180 2.041 -11.432
107 HG13 ILE 12 2HG1 ILE 12 0.767 2.280 -9.787
108 HG21 ILE 12 1HG2 ILE 12 -2.282 1.477 -11.778
109 HG22 ILE 12 2HG2 ILE 12 -3.022 0.483 -10.524
110 HG23 ILE 12 3HG2 ILE 12 -1.565 -0.074 -11.345
111 HD11 ILE 12 3HD1 ILE 12 0.338 -0.393 -11.155
112 HD12 ILE 12 1HD1 ILE 12 0.864 -0.183 -9.483
113 HD13 ILE 12 2HD1 ILE 12 1.896 0.356 -10.809
114 H LEU 13 H LEU 13 -2.874 2.095 -7.449
115 HA LEU 13 HA LEU 13 -5.566 1.812 -8.472
116 HB2 LEU 13 1HB LEU 13 -4.367 1.510 -5.712
117 HB3 LEU 13 2HB LEU 13 -6.069 1.230 -6.068
118 HG LEU 13 HG LEU 13 -3.797 -0.194 -7.487
119 HD11 LEU 13 1HD1 LEU 13 -4.495 -2.149 -6.046
120 HD12 LEU 13 2HD1 LEU 13 -5.461 -1.022 -5.095
121 HD13 LEU 13 3HD1 LEU 13 -3.710 -0.838 -5.166
122 HD21 LEU 13 3HD2 LEU 13 -5.858 -1.839 -7.826
123 HD22 LEU 13 1HD2 LEU 13 -5.656 -0.448 -8.886
124 HD23 LEU 13 2HD2 LEU 13 -6.808 -0.380 -7.552
Start of MODEL 12
1 H1 GLU 1 1H GLU 1 -3.880 -3.497 5.952
2 H2 GLU 1 2H GLU 1 -4.427 -2.758 7.380
3 H3 GLU 1 3H GLU 1 -4.772 -4.394 7.079
4 HA GLU 1 HA GLU 1 -3.020 -4.770 8.411
5 HB2 GLU 1 1HB GLU 1 -2.329 -5.411 6.075
6 HB3 GLU 1 2HB GLU 1 -1.518 -3.850 5.939
7 HG2 GLU 1 1HG GLU 1 0.147 -5.453 6.607
8 HG3 GLU 1 2HG GLU 1 -0.206 -4.459 8.019
9 H LEU 2 H LEU 2 -1.426 -3.908 9.786
10 HA LEU 2 HA LEU 2 -1.615 -1.120 10.304
11 HB2 LEU 2 1HB LEU 2 0.338 -3.201 11.319
12 HB3 LEU 2 2HB LEU 2 0.223 -1.557 11.945
13 HG LEU 2 HG LEU 2 -2.060 -3.556 11.910
14 HD11 LEU 2 1HD1 LEU 2 -1.674 -3.776 14.308
15 HD12 LEU 2 2HD1 LEU 2 -0.352 -2.611 14.231
16 HD13 LEU 2 3HD1 LEU 2 -0.192 -4.179 13.439
17 HD21 LEU 2 3HD2 LEU 2 -3.136 -1.486 11.997
18 HD22 LEU 2 1HD2 LEU 2 -1.780 -0.689 12.793
19 HD23 LEU 2 2HD2 LEU 2 -2.845 -1.751 13.711
20 H TYR 3 H TYR 3 0.832 -3.144 8.742
21 HA TYR 3 HA TYR 3 2.543 -0.830 8.214
22 HB2 TYR 3 1HB TYR 3 2.829 -3.765 7.528
23 HB3 TYR 3 2HB TYR 3 4.024 -2.526 7.143
24 HD1 TYR 3 HD2 TYR 3 5.076 -1.197 9.019
25 HD2 TYR 3 HD1 TYR 3 2.675 -4.688 9.721
26 HE1 TYR 3 HE2 TYR 3 6.020 -1.385 11.304
27 HE2 TYR 3 HE1 TYR 3 3.618 -4.877 12.007
28 HH TYR 3 HH TYR 3 4.802 -3.779 13.603
29 H GLU 4 H GLU 4 1.722 0.465 6.675
30 HA GLU 4 HA GLU 4 0.408 -0.624 4.309
31 HB2 GLU 4 1HB GLU 4 1.037 2.212 5.170
32 HB3 GLU 4 2HB GLU 4 0.118 1.784 3.727
33 HG2 GLU 4 1HG GLU 4 -1.545 0.615 5.141
34 HG3 GLU 4 2HG GLU 4 -0.629 1.064 6.577
35 H ASN 5 H ASN 5 1.603 -1.282 2.594
36 HA ASN 5 HA ASN 5 4.309 -0.181 2.244
37 HB2 ASN 5 1HB ASN 5 3.753 -2.689 2.256
38 HB3 ASN 5 2HB ASN 5 3.086 -2.414 0.655
39 HD21 ASN 5 2HD2 ASN 5 4.927 -3.898 -0.064
40 HD22 ASN 5 1HD2 ASN 5 6.460 -3.209 -0.305
41 H LYS 6 H LYS 6 4.888 -0.212 -0.283
42 HA LYS 6 HA LYS 6 3.136 1.835 -1.452
43 HB2 LYS 6 1HB LYS 6 6.021 1.080 -1.805
44 HB3 LYS 6 2HB LYS 6 5.212 2.079 -3.009
45 HG2 LYS 6 1HG LYS 6 6.375 3.427 -1.268
46 HG3 LYS 6 2HG LYS 6 4.641 3.736 -1.316
47 HD2 LYS 6 1HD LYS 6 4.240 2.515 0.660
48 HD3 LYS 6 2HD LYS 6 5.782 1.667 0.560
49 HE2 LYS 6 1HE LYS 6 7.001 3.668 1.130
50 HE3 LYS 6 2HE LYS 6 5.546 4.655 0.994
51 HZ1 LYS 6 3HZ LYS 6 4.586 3.470 2.845
52 HZ2 LYS 6 1HZ LYS 6 6.083 4.123 3.302
53 HZ3 LYS 6 2HZ LYS 6 5.951 2.464 2.957
54 HA PRO 7 HA PRO 7 3.221 -1.138 -5.116
55 HB2 PRO 7 1HB PRO 7 4.561 -3.415 -5.069
56 HB3 PRO 7 2HB PRO 7 5.423 -1.862 -5.058
57 HG2 PRO 7 1HG PRO 7 5.014 -3.801 -2.844
58 HG3 PRO 7 2HG PRO 7 6.350 -2.668 -3.117
59 HD2 PRO 7 1HD PRO 7 3.965 -2.258 -1.478
60 HD3 PRO 7 2HD PRO 7 5.349 -1.161 -1.702
61 H ARG 8 H ARG 8 2.413 -2.270 -2.084
62 HA ARG 8 HA ARG 8 0.529 -4.326 -3.073
63 HB2 ARG 8 1HB ARG 8 1.380 -5.478 -1.270
64 HB3 ARG 8 2HB ARG 8 2.167 -4.043 -0.637
65 HG2 ARG 8 1HG ARG 8 0.109 -3.314 0.438
66 HG3 ARG 8 2HG ARG 8 -0.790 -4.633 -0.315
67 HD2 ARG 8 1HD ARG 8 -0.239 -5.176 2.003
68 HD3 ARG 8 2HD ARG 8 0.611 -6.261 0.905
69 HE ARG 8 HE ARG 8 2.230 -4.004 1.537
70 HH11 ARG 8 1HH2 ARG 8 0.955 -6.960 2.805
71 HH12 ARG 8 2HH2 ARG 8 2.257 -7.206 3.920
72 HH21 ARG 8 1HH1 ARG 8 3.946 -4.322 2.999
73 HH22 ARG 8 2HH1 ARG 8 3.951 -5.714 4.028
74 H ARG 9 H ARG 9 1.109 -1.396 -1.348
75 HA ARG 9 HA ARG 9 -1.746 -0.705 -1.424
76 HB2 ARG 9 1HB ARG 9 0.192 -0.778 0.749
77 HB3 ARG 9 2HB ARG 9 -0.540 0.821 0.613
78 HG2 ARG 9 1HG ARG 9 -2.766 -0.105 0.808
79 HG3 ARG 9 2HG ARG 9 -2.144 -1.752 0.681
80 HD2 ARG 9 1HD ARG 9 -1.089 -1.623 2.811
81 HD3 ARG 9 2HD ARG 9 -1.292 0.124 2.883
82 HE ARG 9 HE ARG 9 -3.432 -0.229 3.702
83 HH11 ARG 9 1HH2 ARG 9 -2.230 -3.061 2.120
84 HH12 ARG 9 2HH2 ARG 9 -3.590 -4.045 2.548
85 HH21 ARG 9 1HH1 ARG 9 -5.220 -1.512 4.266
86 HH22 ARG 9 2HH1 ARG 9 -5.282 -3.168 3.765
87 HA PRO 10 HA PRO 10 1.043 2.433 -3.707
88 HB2 PRO 10 1HB PRO 10 0.113 1.913 -6.270
89 HB3 PRO 10 2HB PRO 10 1.568 1.164 -5.586
90 HG2 PRO 10 1HG PRO 10 -1.187 0.058 -5.838
91 HG3 PRO 10 2HG PRO 10 0.383 -0.747 -6.031
92 HD2 PRO 10 1HD PRO 10 -1.124 -1.021 -3.780
93 HD3 PRO 10 2HD PRO 10 0.646 -1.062 -3.760
94 H TYR 11 H TYR 11 0.273 4.449 -4.455
95 HA TYR 11 HA TYR 11 -2.368 5.144 -3.651
96 HB2 TYR 11 1HB TYR 11 -0.450 6.724 -5.382
97 HB3 TYR 11 2HB TYR 11 -1.828 7.364 -4.486
98 HD1 TYR 11 HD2 TYR 11 -1.838 7.235 -1.963
99 HD2 TYR 11 HD1 TYR 11 1.640 6.318 -4.312
100 HE1 TYR 11 HE2 TYR 11 -0.411 7.480 0.052
101 HE2 TYR 11 HE1 TYR 11 3.066 6.562 -2.299
102 HH TYR 11 HH TYR 11 1.677 7.555 0.825
103 H ILE 12 H ILE 12 -1.184 3.671 -6.427
104 HA ILE 12 HA ILE 12 -2.822 4.792 -8.446
105 HB ILE 12 HB ILE 12 -1.768 1.961 -8.253
106 HG12 ILE 12 1HG1 ILE 12 0.065 3.541 -7.942
107 HG13 ILE 12 2HG1 ILE 12 0.165 2.855 -9.560
108 HG21 ILE 12 1HG2 ILE 12 -1.792 2.174 -10.765
109 HG22 ILE 12 2HG2 ILE 12 -2.674 3.688 -10.570
110 HG23 ILE 12 3HG2 ILE 12 -3.391 2.173 -10.021
111 HD11 ILE 12 3HD1 ILE 12 -0.646 5.625 -8.723
112 HD12 ILE 12 1HD1 ILE 12 -1.248 4.973 -10.246
113 HD13 ILE 12 2HD1 ILE 12 0.485 5.131 -9.980
114 H LEU 13 H LEU 13 -3.263 2.052 -6.242
115 HA LEU 13 HA LEU 13 -5.867 1.390 -7.289
116 HB2 LEU 13 1HB LEU 13 -4.420 0.508 -4.782
117 HB3 LEU 13 2HB LEU 13 -5.948 -0.167 -5.346
118 HG LEU 13 HG LEU 13 -3.384 -0.142 -6.969
119 HD11 LEU 13 1HD1 LEU 13 -3.112 -1.581 -5.024
120 HD12 LEU 13 2HD1 LEU 13 -3.338 -2.589 -6.453
121 HD13 LEU 13 3HD1 LEU 13 -4.672 -2.343 -5.326
122 HD21 LEU 13 3HD2 LEU 13 -4.838 -2.058 -8.124
123 HD22 LEU 13 1HD2 LEU 13 -5.071 -0.370 -8.564
124 HD23 LEU 13 2HD2 LEU 13 -6.184 -1.150 -7.441
Start of MODEL 13
1 H1 GLU 1 1H GLU 1 -0.795 -6.818 10.097
2 H2 GLU 1 2H GLU 1 -0.678 -7.743 8.678
3 H3 GLU 1 3H GLU 1 -1.988 -6.684 8.901
4 HA GLU 1 HA GLU 1 0.854 -5.888 8.605
5 HB2 GLU 1 1HB GLU 1 -0.174 -4.801 6.481
6 HB3 GLU 1 2HB GLU 1 0.132 -6.539 6.457
7 HG2 GLU 1 1HG GLU 1 -2.209 -6.991 7.021
8 HG3 GLU 1 2HG GLU 1 -2.535 -5.262 7.133
9 H LEU 2 H LEU 2 0.567 -4.675 10.601
10 HA LEU 2 HA LEU 2 -1.457 -2.701 10.904
11 HB2 LEU 2 1HB LEU 2 1.285 -2.976 12.155
12 HB3 LEU 2 2HB LEU 2 0.107 -1.757 12.636
13 HG LEU 2 HG LEU 2 -0.435 -4.741 12.662
14 HD11 LEU 2 1HD1 LEU 2 -0.167 -4.560 15.119
15 HD12 LEU 2 2HD1 LEU 2 0.334 -2.879 14.929
16 HD13 LEU 2 3HD1 LEU 2 1.330 -4.176 14.269
17 HD21 LEU 2 3HD2 LEU 2 -2.236 -3.760 14.369
18 HD22 LEU 2 1HD2 LEU 2 -2.552 -3.760 12.638
19 HD23 LEU 2 2HD2 LEU 2 -2.004 -2.286 13.433
20 H TYR 3 H TYR 3 1.830 -2.661 9.608
21 HA TYR 3 HA TYR 3 1.631 0.183 8.926
22 HB2 TYR 3 1HB TYR 3 3.842 -1.853 8.547
23 HB3 TYR 3 2HB TYR 3 3.956 -0.154 8.084
24 HD1 TYR 3 HD2 TYR 3 3.815 1.632 9.828
25 HD2 TYR 3 HD1 TYR 3 4.010 -2.538 10.841
26 HE1 TYR 3 HE2 TYR 3 4.427 2.226 12.157
27 HE2 TYR 3 HE1 TYR 3 4.621 -1.944 13.170
28 HH TYR 3 HH TYR 3 4.205 0.196 14.688
29 H GLU 4 H GLU 4 1.153 0.926 6.936
30 HA GLU 4 HA GLU 4 0.361 -1.007 4.895
31 HB2 GLU 4 1HB GLU 4 -0.572 0.939 3.739
32 HB3 GLU 4 2HB GLU 4 -1.109 0.899 5.418
33 HG2 GLU 4 1HG GLU 4 0.723 2.499 5.992
34 HG3 GLU 4 2HG GLU 4 1.125 2.603 4.280
35 H ASN 5 H ASN 5 1.376 -1.357 2.982
36 HA ASN 5 HA ASN 5 4.013 -0.076 2.625
37 HB2 ASN 5 1HB ASN 5 2.823 -2.591 1.457
38 HB3 ASN 5 2HB ASN 5 4.403 -1.945 1.016
39 HD21 ASN 5 2HD2 ASN 5 5.334 -1.085 3.545
40 HD22 ASN 5 1HD2 ASN 5 5.513 -2.438 4.555
41 H LYS 6 H LYS 6 4.390 -0.454 -0.082
42 HA LYS 6 HA LYS 6 2.682 1.676 -1.172
43 HB2 LYS 6 1HB LYS 6 5.293 0.548 -2.190
44 HB3 LYS 6 2HB LYS 6 4.434 1.927 -2.866
45 HG2 LYS 6 1HG LYS 6 5.857 3.087 -1.453
46 HG3 LYS 6 2HG LYS 6 4.557 2.775 -0.309
47 HD2 LYS 6 1HD LYS 6 6.351 1.994 0.939
48 HD3 LYS 6 2HD LYS 6 5.931 0.506 0.095
49 HE2 LYS 6 1HE LYS 6 8.194 2.415 -0.459
50 HE3 LYS 6 2HE LYS 6 8.252 0.667 -0.239
51 HZ1 LYS 6 3HZ LYS 6 8.478 1.506 -2.587
52 HZ2 LYS 6 1HZ LYS 6 6.840 1.939 -2.511
53 HZ3 LYS 6 2HZ LYS 6 7.297 0.312 -2.338
54 HA PRO 7 HA PRO 7 2.074 -1.620 -4.536
55 HB2 PRO 7 1HB PRO 7 2.890 -4.133 -4.178
56 HB3 PRO 7 2HB PRO 7 4.049 -2.841 -4.552
57 HG2 PRO 7 1HG PRO 7 3.546 -4.230 -1.981
58 HG3 PRO 7 2HG PRO 7 5.038 -3.494 -2.590
59 HD2 PRO 7 1HD PRO 7 3.081 -2.299 -0.814
60 HD3 PRO 7 2HD PRO 7 4.569 -1.556 -1.451
61 H ARG 8 H ARG 8 1.368 -1.935 -1.351
62 HA ARG 8 HA ARG 8 -0.835 -3.831 -1.577
63 HB2 ARG 8 1HB ARG 8 0.870 -3.300 0.455
64 HB3 ARG 8 2HB ARG 8 -0.361 -2.108 0.844
65 HG2 ARG 8 1HG ARG 8 -0.871 -5.056 0.413
66 HG3 ARG 8 2HG ARG 8 -0.713 -4.273 1.986
67 HD2 ARG 8 1HD ARG 8 -2.633 -2.813 1.449
68 HD3 ARG 8 2HD ARG 8 -2.800 -3.617 -0.109
69 HE ARG 8 HE ARG 8 -2.924 -5.336 2.253
70 HH11 ARG 8 1HH2 ARG 8 -4.589 -3.522 -0.185
71 HH12 ARG 8 2HH2 ARG 8 -6.067 -4.407 -0.026
72 HH21 ARG 8 1HH1 ARG 8 -4.863 -6.498 2.462
73 HH22 ARG 8 2HH1 ARG 8 -6.223 -6.090 1.469
74 H ARG 9 H ARG 9 -0.102 -0.474 -0.793
75 HA ARG 9 HA ARG 9 -2.785 0.362 -1.679
76 HB2 ARG 9 1HB ARG 9 -1.105 1.122 0.666
77 HB3 ARG 9 2HB ARG 9 -2.219 2.320 0.004
78 HG2 ARG 9 1HG ARG 9 -4.111 1.132 0.647
79 HG3 ARG 9 2HG ARG 9 -3.321 -0.433 0.474
80 HD2 ARG 9 1HD ARG 9 -2.211 -0.227 2.559
81 HD3 ARG 9 2HD ARG 9 -2.563 1.498 2.667
82 HE ARG 9 HE ARG 9 -5.039 0.395 2.618
83 HH11 ARG 9 1HH2 ARG 9 -2.160 -0.287 4.413
84 HH12 ARG 9 2HH2 ARG 9 -3.003 -0.830 5.824
85 HH21 ARG 9 1HH1 ARG 9 -6.151 -0.322 4.464
86 HH22 ARG 9 2HH1 ARG 9 -5.262 -0.853 5.852
87 HA PRO 10 HA PRO 10 0.792 2.523 -4.006
88 HB2 PRO 10 1HB PRO 10 0.119 1.513 -6.525
89 HB3 PRO 10 2HB PRO 10 1.371 0.829 -5.476
90 HG2 PRO 10 1HG PRO 10 -1.437 -0.063 -5.898
91 HG3 PRO 10 2HG PRO 10 0.028 -1.026 -5.622
92 HD2 PRO 10 1HD PRO 10 -1.804 -0.588 -3.659
93 HD3 PRO 10 2HD PRO 10 -0.077 -0.754 -3.318
94 H TYR 11 H TYR 11 0.485 4.369 -5.329
95 HA TYR 11 HA TYR 11 -2.225 5.416 -5.341
96 HB2 TYR 11 1HB TYR 11 0.405 6.617 -6.246
97 HB3 TYR 11 2HB TYR 11 -1.134 7.477 -6.209
98 HD1 TYR 11 HD1 TYR 11 1.494 5.888 -4.149
99 HD2 TYR 11 HD2 TYR 11 -2.151 8.159 -4.122
100 HE1 TYR 11 HE1 TYR 11 1.820 6.385 -1.739
101 HE2 TYR 11 HE2 TYR 11 -1.827 8.654 -1.715
102 HH TYR 11 HH TYR 11 -0.605 7.578 0.234
103 H ILE 12 H ILE 12 -0.790 3.285 -7.234
104 HA ILE 12 HA ILE 12 -1.042 4.263 -9.872
105 HB ILE 12 HB ILE 12 -1.171 1.458 -8.736
106 HG12 ILE 12 1HG1 ILE 12 1.018 2.842 -10.308
107 HG13 ILE 12 2HG1 ILE 12 0.958 2.848 -8.546
108 HG21 ILE 12 1HG2 ILE 12 -1.146 2.457 -11.595
109 HG22 ILE 12 2HG2 ILE 12 -2.291 1.344 -10.848
110 HG23 ILE 12 3HG2 ILE 12 -0.634 0.827 -11.155
111 HD11 ILE 12 3HD1 ILE 12 2.384 1.017 -9.247
112 HD12 ILE 12 1HD1 ILE 12 1.141 0.417 -10.347
113 HD13 ILE 12 2HD1 ILE 12 0.888 0.337 -8.603
114 H LEU 13 H LEU 13 -3.294 2.511 -7.755
115 HA LEU 13 HA LEU 13 -5.423 2.602 -9.742
116 HB2 LEU 13 1HB LEU 13 -5.475 1.706 -6.848
117 HB3 LEU 13 2HB LEU 13 -6.741 1.432 -8.043
118 HG LEU 13 HG LEU 13 -3.896 0.398 -8.251
119 HD11 LEU 13 1HD1 LEU 13 -6.495 -0.883 -7.388
120 HD12 LEU 13 2HD1 LEU 13 -4.960 -0.843 -6.523
121 HD13 LEU 13 3HD1 LEU 13 -5.131 -1.837 -7.970
122 HD21 LEU 13 3HD2 LEU 13 -5.166 -1.070 -10.046
123 HD22 LEU 13 1HD2 LEU 13 -4.632 0.553 -10.473
124 HD23 LEU 13 2HD2 LEU 13 -6.318 0.264 -10.045
Start of MODEL 14
1 H1 GLU 1 1H GLU 1 -3.757 -4.590 6.212
2 H2 GLU 1 2H GLU 1 -3.467 -2.991 6.705
3 H3 GLU 1 3H GLU 1 -4.472 -4.000 7.632
4 HA GLU 1 HA GLU 1 -2.750 -5.142 8.554
5 HB2 GLU 1 1HB GLU 1 -1.903 -5.886 6.339
6 HB3 GLU 1 2HB GLU 1 -1.083 -4.334 6.146
7 HG2 GLU 1 1HG GLU 1 0.279 -4.773 8.124
8 HG3 GLU 1 2HG GLU 1 -0.588 -6.275 8.420
9 H LEU 2 H LEU 2 -0.994 -4.401 9.907
10 HA LEU 2 HA LEU 2 -1.192 -1.659 10.615
11 HB2 LEU 2 1HB LEU 2 0.764 -3.824 11.412
12 HB3 LEU 2 2HB LEU 2 0.736 -2.220 12.142
13 HG LEU 2 HG LEU 2 -1.690 -4.031 12.036
14 HD11 LEU 2 1HD1 LEU 2 0.076 -5.150 13.313
15 HD12 LEU 2 2HD1 LEU 2 -1.181 -4.564 14.402
16 HD13 LEU 2 3HD1 LEU 2 0.341 -3.685 14.263
17 HD21 LEU 2 3HD2 LEU 2 -2.502 -1.888 12.508
18 HD22 LEU 2 1HD2 LEU 2 -1.032 -1.393 13.345
19 HD23 LEU 2 2HD2 LEU 2 -2.173 -2.478 14.134
20 H TYR 3 H TYR 3 1.261 -3.530 8.872
21 HA TYR 3 HA TYR 3 2.909 -1.153 8.439
22 HB2 TYR 3 1HB TYR 3 3.240 -4.031 7.560
23 HB3 TYR 3 2HB TYR 3 4.412 -2.746 7.266
24 HD1 TYR 3 HD1 TYR 3 5.531 -1.607 9.184
25 HD2 TYR 3 HD2 TYR 3 3.027 -5.054 9.725
26 HE1 TYR 3 HE1 TYR 3 6.475 -1.936 11.452
27 HE2 TYR 3 HE2 TYR 3 3.972 -5.385 11.993
28 HH TYR 3 HH TYR 3 6.274 -4.693 13.155
29 H GLU 4 H GLU 4 1.729 0.159 7.074
30 HA GLU 4 HA GLU 4 0.587 -0.893 4.614
31 HB2 GLU 4 1HB GLU 4 0.803 1.897 5.766
32 HB3 GLU 4 2HB GLU 4 0.022 1.530 4.228
33 HG2 GLU 4 1HG GLU 4 -1.546 0.022 5.353
34 HG3 GLU 4 2HG GLU 4 -0.732 0.298 6.890
35 H ASN 5 H ASN 5 1.902 -1.342 2.955
36 HA ASN 5 HA ASN 5 4.380 0.215 2.596
37 HB2 ASN 5 1HB ASN 5 4.397 -2.298 2.700
38 HB3 ASN 5 2HB ASN 5 3.518 -2.309 1.185
39 HD21 ASN 5 2HD2 ASN 5 5.446 -3.386 0.206
40 HD22 ASN 5 1HD2 ASN 5 6.820 -2.471 -0.189
41 H LYS 6 H LYS 6 4.833 -0.003 -0.086
42 HA LYS 6 HA LYS 6 2.854 1.889 -1.146
43 HB2 LYS 6 1HB LYS 6 5.495 1.182 -2.378
44 HB3 LYS 6 2HB LYS 6 4.539 2.650 -2.581
45 HG2 LYS 6 1HG LYS 6 4.844 2.916 0.008
46 HG3 LYS 6 2HG LYS 6 6.166 1.767 -0.201
47 HD2 LYS 6 1HD LYS 6 7.052 3.280 -2.024
48 HD3 LYS 6 2HD LYS 6 5.845 4.463 -1.525
49 HE2 LYS 6 1HE LYS 6 8.145 3.369 0.109
50 HE3 LYS 6 2HE LYS 6 7.854 5.042 -0.364
51 HZ1 LYS 6 3HZ LYS 6 7.040 5.077 1.741
52 HZ2 LYS 6 1HZ LYS 6 6.557 3.452 1.723
53 HZ3 LYS 6 2HZ LYS 6 5.625 4.625 0.917
54 HA PRO 7 HA PRO 7 2.846 -1.282 -4.680
55 HB2 PRO 7 1HB PRO 7 4.081 -3.635 -4.440
56 HB3 PRO 7 2HB PRO 7 4.989 -2.136 -4.715
57 HG2 PRO 7 1HG PRO 7 4.733 -3.746 -2.242
58 HG3 PRO 7 2HG PRO 7 6.056 -2.693 -2.772
59 HD2 PRO 7 1HD PRO 7 3.870 -2.018 -0.988
60 HD3 PRO 7 2HD PRO 7 5.206 -0.973 -1.513
61 H ARG 8 H ARG 8 1.951 -1.926 -1.577
62 HA ARG 8 HA ARG 8 0.006 -4.036 -2.337
63 HB2 ARG 8 1HB ARG 8 -0.120 -4.680 -0.072
64 HB3 ARG 8 2HB ARG 8 1.594 -4.353 -0.281
65 HG2 ARG 8 1HG ARG 8 1.258 -2.082 0.684
66 HG3 ARG 8 2HG ARG 8 -0.441 -2.463 0.944
67 HD2 ARG 8 1HD ARG 8 0.800 -2.854 3.006
68 HD3 ARG 8 2HD ARG 8 0.206 -4.383 2.359
69 HE ARG 8 HE ARG 8 2.794 -3.961 1.353
70 HH11 ARG 8 1HH2 ARG 8 1.166 -4.472 4.362
71 HH12 ARG 8 2HH2 ARG 8 2.496 -5.301 5.098
72 HH21 ARG 8 1HH1 ARG 8 4.534 -5.056 2.299
73 HH22 ARG 8 2HH1 ARG 8 4.415 -5.625 3.929
74 H ARG 9 H ARG 9 0.650 -0.897 -1.034
75 HA ARG 9 HA ARG 9 -2.177 -0.107 -1.315
76 HB2 ARG 9 1HB ARG 9 -0.181 0.321 0.822
77 HB3 ARG 9 2HB ARG 9 -1.233 1.687 0.482
78 HG2 ARG 9 1HG ARG 9 -3.190 0.445 1.008
79 HG3 ARG 9 2HG ARG 9 -2.338 -1.093 0.926
80 HD2 ARG 9 1HD ARG 9 -0.988 -0.420 2.903
81 HD3 ARG 9 2HD ARG 9 -1.920 1.072 3.006
82 HE ARG 9 HE ARG 9 -2.817 -1.591 3.755
83 HH11 ARG 9 1HH2 ARG 9 -3.651 1.655 2.905
84 HH12 ARG 9 2HH2 ARG 9 -5.188 1.621 3.704
85 HH21 ARG 9 1HH1 ARG 9 -4.826 -1.657 4.792
86 HH22 ARG 9 2HH1 ARG 9 -5.855 -0.265 4.786
87 HA PRO 10 HA PRO 10 0.892 2.603 -3.815
88 HB2 PRO 10 1HB PRO 10 0.237 1.726 -6.364
89 HB3 PRO 10 2HB PRO 10 1.595 1.081 -5.424
90 HG2 PRO 10 1HG PRO 10 -1.136 -0.043 -5.823
91 HG3 PRO 10 2HG PRO 10 0.426 -0.877 -5.723
92 HD2 PRO 10 1HD PRO 10 -1.330 -0.814 -3.634
93 HD3 PRO 10 2HD PRO 10 0.424 -0.873 -3.410
94 H TYR 11 H TYR 11 0.240 4.468 -4.997
95 HA TYR 11 HA TYR 11 -2.518 5.198 -4.627
96 HB2 TYR 11 1HB TYR 11 -0.693 6.837 -4.347
97 HB3 TYR 11 2HB TYR 11 -0.298 6.682 -6.059
98 HD1 TYR 11 HD1 TYR 11 -3.031 7.627 -3.702
99 HD2 TYR 11 HD2 TYR 11 -1.504 7.885 -7.709
100 HE1 TYR 11 HE1 TYR 11 -4.786 9.287 -4.264
101 HE2 TYR 11 HE2 TYR 11 -3.264 9.538 -8.272
102 HH TYR 11 HH TYR 11 -5.563 10.682 -5.801
103 H ILE 12 H ILE 12 -1.116 3.297 -6.887
104 HA ILE 12 HA ILE 12 -2.121 4.295 -9.336
105 HB ILE 12 HB ILE 12 -1.544 1.456 -8.443
106 HG12 ILE 12 1HG1 ILE 12 0.442 2.904 -8.473
107 HG13 ILE 12 2HG1 ILE 12 0.517 1.746 -9.795
108 HG21 ILE 12 1HG2 ILE 12 -1.463 0.995 -10.933
109 HG22 ILE 12 2HG2 ILE 12 -2.214 2.573 -11.175
110 HG23 ILE 12 3HG2 ILE 12 -3.074 1.312 -10.291
111 HD11 ILE 12 3HD1 ILE 12 -0.664 3.745 -11.135
112 HD12 ILE 12 1HD1 ILE 12 1.087 3.679 -10.933
113 HD13 ILE 12 2HD1 ILE 12 0.115 4.710 -9.887
114 H LEU 13 H LEU 13 -3.491 2.123 -6.896
115 HA LEU 13 HA LEU 13 -6.004 1.882 -8.356
116 HB2 LEU 13 1HB LEU 13 -5.146 0.863 -5.635
117 HB3 LEU 13 2HB LEU 13 -6.695 0.512 -6.396
118 HG LEU 13 HG LEU 13 -3.991 -0.180 -7.591
119 HD11 LEU 13 1HD1 LEU 13 -4.447 -1.464 -5.547
120 HD12 LEU 13 2HD1 LEU 13 -4.581 -2.505 -6.965
121 HD13 LEU 13 3HD1 LEU 13 -6.036 -1.911 -6.166
122 HD21 LEU 13 3HD2 LEU 13 -6.853 -0.574 -8.466
123 HD22 LEU 13 1HD2 LEU 13 -5.628 -1.751 -8.940
124 HD23 LEU 13 2HD2 LEU 13 -5.457 -0.070 -9.420
Start of MODEL 15
1 H1 GLU 1 1H GLU 1 -4.691 -2.752 8.555
2 H2 GLU 1 2H GLU 1 -4.830 -4.112 7.547
3 H3 GLU 1 3H GLU 1 -4.100 -2.691 6.966
4 HA GLU 1 HA GLU 1 -3.045 -4.406 9.148
5 HB2 GLU 1 1HB GLU 1 -2.897 -5.421 6.880
6 HB3 GLU 1 2HB GLU 1 -2.058 -3.978 6.310
7 HG2 GLU 1 1HG GLU 1 -0.251 -4.364 7.927
8 HG3 GLU 1 2HG GLU 1 -1.094 -5.782 8.549
9 H LEU 2 H LEU 2 -1.473 -3.491 10.335
10 HA LEU 2 HA LEU 2 -1.053 -0.684 10.234
11 HB2 LEU 2 1HB LEU 2 0.359 -2.898 11.736
12 HB3 LEU 2 2HB LEU 2 0.743 -1.192 11.942
13 HG LEU 2 HG LEU 2 -1.723 -0.812 12.455
14 HD11 LEU 2 1HD1 LEU 2 -2.798 -2.991 13.399
15 HD12 LEU 2 2HD1 LEU 2 -1.656 -3.828 12.351
16 HD13 LEU 2 3HD1 LEU 2 -2.842 -2.723 11.660
17 HD21 LEU 2 3HD2 LEU 2 -0.098 -2.613 14.277
18 HD22 LEU 2 1HD2 LEU 2 -1.487 -1.653 14.786
19 HD23 LEU 2 2HD2 LEU 2 -0.022 -0.853 14.216
20 H TYR 3 H TYR 3 0.867 -3.470 9.202
21 HA TYR 3 HA TYR 3 3.075 -1.811 8.304
22 HB2 TYR 3 1HB TYR 3 3.456 -4.073 9.231
23 HB3 TYR 3 2HB TYR 3 2.545 -4.764 7.888
24 HD1 TYR 3 HD2 TYR 3 5.505 -2.620 8.671
25 HD2 TYR 3 HD1 TYR 3 3.611 -5.224 5.827
26 HE1 TYR 3 HE2 TYR 3 7.553 -2.583 7.275
27 HE2 TYR 3 HE1 TYR 3 5.661 -5.189 4.433
28 HH TYR 3 HH TYR 3 7.637 -4.137 4.097
29 H GLU 4 H GLU 4 1.566 -0.527 6.904
30 HA GLU 4 HA GLU 4 0.738 -1.839 4.418
31 HB2 GLU 4 1HB GLU 4 -0.277 0.360 3.894
32 HB3 GLU 4 2HB GLU 4 -0.839 -0.286 5.433
33 HG2 GLU 4 1HG GLU 4 0.970 1.120 6.545
34 HG3 GLU 4 2HG GLU 4 1.207 1.898 4.983
35 H ASN 5 H ASN 5 1.954 -1.850 2.634
36 HA ASN 5 HA ASN 5 4.335 -0.114 2.534
37 HB2 ASN 5 1HB ASN 5 3.596 -2.579 0.947
38 HB3 ASN 5 2HB ASN 5 5.088 -1.657 0.755
39 HD21 ASN 5 2HD2 ASN 5 5.265 -1.112 3.711
40 HD22 ASN 5 1HD2 ASN 5 5.766 -2.581 4.400
41 H LYS 6 H LYS 6 4.888 0.194 -0.026
42 HA LYS 6 HA LYS 6 2.740 1.951 -0.976
43 HB2 LYS 6 1HB LYS 6 5.531 1.825 -2.065
44 HB3 LYS 6 2HB LYS 6 4.392 3.173 -2.079
45 HG2 LYS 6 1HG LYS 6 4.521 2.924 0.556
46 HG3 LYS 6 2HG LYS 6 6.042 2.105 0.203
47 HD2 LYS 6 1HD LYS 6 6.807 4.066 -1.068
48 HD3 LYS 6 2HD LYS 6 5.279 4.880 -0.731
49 HE2 LYS 6 1HE LYS 6 5.738 4.914 1.638
50 HE3 LYS 6 2HE LYS 6 7.154 3.885 1.430
51 HZ1 LYS 6 3HZ LYS 6 8.224 5.841 1.389
52 HZ2 LYS 6 1HZ LYS 6 6.844 6.726 0.955
53 HZ3 LYS 6 2HZ LYS 6 7.722 5.889 -0.234
54 HA PRO 7 HA PRO 7 3.319 -0.695 -4.870
55 HB2 PRO 7 1HB PRO 7 4.744 -2.902 -4.862
56 HB3 PRO 7 2HB PRO 7 5.557 -1.335 -4.663
57 HG2 PRO 7 1HG PRO 7 4.939 -3.411 -2.618
58 HG3 PRO 7 2HG PRO 7 6.340 -2.330 -2.736
59 HD2 PRO 7 1HD PRO 7 3.918 -1.892 -1.209
60 HD3 PRO 7 2HD PRO 7 5.299 -0.780 -1.404
61 H ARG 8 H ARG 8 2.301 -1.869 -1.938
62 HA ARG 8 HA ARG 8 0.635 -4.023 -3.103
63 HB2 ARG 8 1HB ARG 8 0.476 -4.991 -0.966
64 HB3 ARG 8 2HB ARG 8 2.137 -4.416 -0.984
65 HG2 ARG 8 1HG ARG 8 1.392 -2.349 0.215
66 HG3 ARG 8 2HG ARG 8 -0.231 -3.031 0.317
67 HD2 ARG 8 1HD ARG 8 2.230 -4.420 1.392
68 HD3 ARG 8 2HD ARG 8 1.159 -3.424 2.371
69 HE ARG 8 HE ARG 8 -0.410 -5.337 1.046
70 HH11 ARG 8 1HH2 ARG 8 2.097 -5.116 3.420
71 HH12 ARG 8 2HH2 ARG 8 1.601 -6.537 4.277
72 HH21 ARG 8 1HH1 ARG 8 -1.068 -7.202 2.166
73 HH22 ARG 8 2HH1 ARG 8 -0.190 -7.718 3.568
74 H ARG 9 H ARG 9 0.835 -1.024 -1.382
75 HA ARG 9 HA ARG 9 -2.035 -0.523 -1.799
76 HB2 ARG 9 1HB ARG 9 -0.282 -0.178 0.560
77 HB3 ARG 9 2HB ARG 9 -1.424 1.133 0.274
78 HG2 ARG 9 1HG ARG 9 -3.299 -0.399 0.325
79 HG3 ARG 9 2HG ARG 9 -2.219 -1.792 0.377
80 HD2 ARG 9 1HD ARG 9 -3.179 -1.184 2.611
81 HD3 ARG 9 2HD ARG 9 -1.419 -1.172 2.570
82 HE ARG 9 HE ARG 9 -1.960 1.401 2.036
83 HH11 ARG 9 1HH2 ARG 9 -3.259 -0.796 4.375
84 HH12 ARG 9 2HH2 ARG 9 -3.617 0.438 5.536
85 HH21 ARG 9 1HH1 ARG 9 -2.429 3.022 3.554
86 HH22 ARG 9 2HH1 ARG 9 -3.147 2.599 5.072
87 HA PRO 10 HA PRO 10 0.874 2.739 -3.756
88 HB2 PRO 10 1HB PRO 10 0.400 2.119 -6.417
89 HB3 PRO 10 2HB PRO 10 1.763 1.472 -5.485
90 HG2 PRO 10 1HG PRO 10 -0.851 0.198 -6.139
91 HG3 PRO 10 2HG PRO 10 0.774 -0.515 -6.071
92 HD2 PRO 10 1HD PRO 10 -1.036 -0.848 -4.066
93 HD3 PRO 10 2HD PRO 10 0.706 -0.765 -3.776
94 H TYR 11 H TYR 11 0.127 4.675 -4.728
95 HA TYR 11 HA TYR 11 -2.593 5.311 -4.292
96 HB2 TYR 11 1HB TYR 11 -0.538 6.791 -5.954
97 HB3 TYR 11 2HB TYR 11 -2.049 7.460 -5.338
98 HD1 TYR 11 HD1 TYR 11 -2.397 7.736 -2.886
99 HD2 TYR 11 HD2 TYR 11 1.372 6.486 -4.524
100 HE1 TYR 11 HE1 TYR 11 -1.284 8.273 -0.735
101 HE2 TYR 11 HE2 TYR 11 2.486 7.024 -2.374
102 HH TYR 11 HH TYR 11 0.734 8.603 0.255
103 H ILE 12 H ILE 12 -1.197 3.547 -6.750
104 HA ILE 12 HA ILE 12 -2.579 4.450 -9.045
105 HB ILE 12 HB ILE 12 -1.490 1.724 -8.305
106 HG12 ILE 12 1HG1 ILE 12 -0.443 3.802 -10.247
107 HG13 ILE 12 2HG1 ILE 12 0.080 3.708 -8.565
108 HG21 ILE 12 1HG2 ILE 12 -2.691 2.773 -10.878
109 HG22 ILE 12 2HG2 ILE 12 -3.146 1.321 -9.985
110 HG23 ILE 12 3HG2 ILE 12 -1.604 1.384 -10.840
111 HD11 ILE 12 3HD1 ILE 12 1.596 2.481 -10.143
112 HD12 ILE 12 1HD1 ILE 12 0.253 1.404 -10.526
113 HD13 ILE 12 2HD1 ILE 12 0.909 1.450 -8.890
114 H LEU 13 H LEU 13 -3.384 2.018 -6.584
115 HA LEU 13 HA LEU 13 -5.911 1.359 -7.818
116 HB2 LEU 13 1HB LEU 13 -4.747 0.697 -5.103
117 HB3 LEU 13 2HB LEU 13 -6.269 0.054 -5.714
118 HG LEU 13 HG LEU 13 -3.607 -0.269 -7.130
119 HD11 LEU 13 1HD1 LEU 13 -5.073 -2.061 -5.185
120 HD12 LEU 13 2HD1 LEU 13 -3.410 -1.483 -5.088
121 HD13 LEU 13 3HD1 LEU 13 -3.860 -2.677 -6.305
122 HD21 LEU 13 3HD2 LEU 13 -5.064 -2.251 -8.126
123 HD22 LEU 13 1HD2 LEU 13 -5.232 -0.624 -8.777
124 HD23 LEU 13 2HD2 LEU 13 -6.419 -1.241 -7.628
Start of MODEL 16
1 H1 GLU 1 1H GLU 1 -0.487 -7.142 11.061
2 H2 GLU 1 2H GLU 1 -1.732 -5.987 11.109
3 H3 GLU 1 3H GLU 1 -0.318 -5.757 12.024
4 HA GLU 1 HA GLU 1 0.996 -5.396 10.115
5 HB2 GLU 1 1HB GLU 1 -0.215 -5.458 7.847
6 HB3 GLU 1 2HB GLU 1 0.182 -7.010 8.580
7 HG2 GLU 1 1HG GLU 1 -2.491 -5.793 9.230
8 HG3 GLU 1 2HG GLU 1 -2.275 -6.504 7.633
9 H LEU 2 H LEU 2 0.386 -3.534 11.642
10 HA LEU 2 HA LEU 2 -1.721 -1.755 10.943
11 HB2 LEU 2 1HB LEU 2 0.864 -1.077 12.361
12 HB3 LEU 2 2HB LEU 2 -0.660 -0.196 12.451
13 HG LEU 2 HG LEU 2 -0.204 -3.040 13.401
14 HD11 LEU 2 1HD1 LEU 2 0.887 -1.382 14.835
15 HD12 LEU 2 2HD1 LEU 2 -0.531 -2.039 15.654
16 HD13 LEU 2 3HD1 LEU 2 -0.602 -0.440 14.913
17 HD21 LEU 2 3HD2 LEU 2 -2.641 -1.258 13.256
18 HD22 LEU 2 1HD2 LEU 2 -2.521 -2.510 14.495
19 HD23 LEU 2 2HD2 LEU 2 -2.479 -2.951 12.790
20 H TYR 3 H TYR 3 1.715 -1.915 10.093
21 HA TYR 3 HA TYR 3 1.488 0.439 8.363
22 HB2 TYR 3 1HB TYR 3 3.828 -1.351 9.059
23 HB3 TYR 3 2HB TYR 3 3.924 0.063 8.009
24 HD1 TYR 3 HD2 TYR 3 3.310 -1.102 11.463
25 HD2 TYR 3 HD1 TYR 3 3.781 2.312 8.901
26 HE1 TYR 3 HE2 TYR 3 3.511 0.363 13.454
27 HE2 TYR 3 HE1 TYR 3 3.982 3.779 10.892
28 HH TYR 3 HH TYR 3 4.187 2.442 14.142
29 H GLU 4 H GLU 4 0.377 -0.049 6.537
30 HA GLU 4 HA GLU 4 0.752 -2.574 5.159
31 HB2 GLU 4 1HB GLU 4 -0.823 -0.091 4.430
32 HB3 GLU 4 2HB GLU 4 -0.833 -1.597 3.511
33 HG2 GLU 4 1HG GLU 4 -1.677 -2.814 5.471
34 HG3 GLU 4 2HG GLU 4 -1.630 -1.329 6.421
35 H ASN 5 H ASN 5 1.385 -2.668 2.875
36 HA ASN 5 HA ASN 5 3.710 -0.954 2.376
37 HB2 ASN 5 1HB ASN 5 2.738 -3.375 0.840
38 HB3 ASN 5 2HB ASN 5 4.327 -2.618 0.740
39 HD21 ASN 5 2HD2 ASN 5 2.612 -5.111 2.264
40 HD22 ASN 5 1HD2 ASN 5 3.689 -5.394 3.545
41 H LYS 6 H LYS 6 4.011 0.172 0.398
42 HA LYS 6 HA LYS 6 1.564 1.305 -0.671
43 HB2 LYS 6 1HB LYS 6 4.365 2.041 -1.468
44 HB3 LYS 6 2HB LYS 6 2.910 3.035 -1.526
45 HG2 LYS 6 1HG LYS 6 4.364 2.064 0.949
46 HG3 LYS 6 2HG LYS 6 4.193 3.730 0.397
47 HD2 LYS 6 1HD LYS 6 1.640 3.325 0.593
48 HD3 LYS 6 2HD LYS 6 2.079 1.910 1.550
49 HE2 LYS 6 1HE LYS 6 2.520 4.820 2.165
50 HE3 LYS 6 2HE LYS 6 1.865 3.553 3.203
51 HZ1 LYS 6 3HZ LYS 6 4.660 4.142 2.527
52 HZ2 LYS 6 1HZ LYS 6 4.229 2.545 2.897
53 HZ3 LYS 6 2HZ LYS 6 3.966 3.779 4.034
54 HA PRO 7 HA PRO 7 3.008 -0.706 -4.711
55 HB2 PRO 7 1HB PRO 7 4.395 -2.950 -4.661
56 HB3 PRO 7 2HB PRO 7 5.183 -1.419 -4.221
57 HG2 PRO 7 1HG PRO 7 4.255 -3.633 -2.465
58 HG3 PRO 7 2HG PRO 7 5.651 -2.555 -2.278
59 HD2 PRO 7 1HD PRO 7 3.025 -2.225 -1.110
60 HD3 PRO 7 2HD PRO 7 4.412 -1.106 -1.011
61 H ARG 8 H ARG 8 1.547 -1.968 -2.089
62 HA ARG 8 HA ARG 8 -0.036 -3.990 -3.562
63 HB2 ARG 8 1HB ARG 8 -0.199 -5.204 -1.610
64 HB3 ARG 8 2HB ARG 8 1.208 -4.277 -1.104
65 HG2 ARG 8 1HG ARG 8 -0.350 -2.577 -0.101
66 HG3 ARG 8 2HG ARG 8 -1.694 -3.658 -0.480
67 HD2 ARG 8 1HD ARG 8 0.690 -4.412 1.228
68 HD3 ARG 8 2HD ARG 8 -0.880 -3.932 1.859
69 HE ARG 8 HE ARG 8 -0.193 -6.492 0.735
70 HH11 ARG 8 1HH2 ARG 8 -2.704 -4.170 1.249
71 HH12 ARG 8 2HH2 ARG 8 -3.983 -5.337 1.208
72 HH21 ARG 8 1HH1 ARG 8 -1.862 -8.030 0.679
73 HH22 ARG 8 2HH1 ARG 8 -3.506 -7.526 0.882
74 H ARG 9 H ARG 9 0.118 -1.077 -1.686
75 HA ARG 9 HA ARG 9 -2.658 -0.382 -2.386
76 HB2 ARG 9 1HB ARG 9 -1.120 -0.149 0.144
77 HB3 ARG 9 2HB ARG 9 -2.219 1.174 -0.227
78 HG2 ARG 9 1HG ARG 9 -4.086 -0.394 -0.452
79 HG3 ARG 9 2HG ARG 9 -3.004 -1.755 -0.173
80 HD2 ARG 9 1HD ARG 9 -4.100 -1.296 1.910
81 HD3 ARG 9 2HD ARG 9 -2.442 -0.731 2.067
82 HE ARG 9 HE ARG 9 -4.847 0.939 1.886
83 HH11 ARG 9 1HH2 ARG 9 -1.387 0.685 1.962
84 HH12 ARG 9 2HH2 ARG 9 -1.141 2.345 2.382
85 HH21 ARG 9 1HH1 ARG 9 -4.517 3.119 2.436
86 HH22 ARG 9 2HH1 ARG 9 -2.905 3.717 2.652
87 HA PRO 10 HA PRO 10 0.622 2.808 -3.832
88 HB2 PRO 10 1HB PRO 10 0.555 2.293 -6.548
89 HB3 PRO 10 2HB PRO 10 1.728 1.553 -5.441
90 HG2 PRO 10 1HG PRO 10 -0.806 0.426 -6.544
91 HG3 PRO 10 2HG PRO 10 0.762 -0.363 -6.270
92 HD2 PRO 10 1HD PRO 10 -1.341 -0.687 -4.573
93 HD3 PRO 10 2HD PRO 10 0.338 -0.701 -4.024
94 H TYR 11 H TYR 11 0.075 4.801 -4.805
95 HA TYR 11 HA TYR 11 -2.741 5.361 -4.941
96 HB2 TYR 11 1HB TYR 11 -0.357 7.108 -5.600
97 HB3 TYR 11 2HB TYR 11 -2.020 7.669 -5.421
98 HD1 TYR 11 HD1 TYR 11 -3.190 7.368 -3.195
99 HD2 TYR 11 HD2 TYR 11 1.028 6.731 -3.702
100 HE1 TYR 11 HE1 TYR 11 -2.869 7.547 -0.742
101 HE2 TYR 11 HE2 TYR 11 1.349 6.910 -1.249
102 HH TYR 11 HH TYR 11 -1.179 6.743 0.953
103 H ILE 12 H ILE 12 -0.717 3.941 -7.089
104 HA ILE 12 HA ILE 12 -1.249 5.249 -9.534
105 HB ILE 12 HB ILE 12 -0.670 2.315 -9.050
106 HG12 ILE 12 1HG1 ILE 12 1.248 4.560 -9.736
107 HG13 ILE 12 2HG1 ILE 12 0.976 4.004 -8.086
108 HG21 ILE 12 1HG2 ILE 12 -1.501 2.725 -11.304
109 HG22 ILE 12 2HG2 ILE 12 0.242 2.474 -11.383
110 HG23 ILE 12 3HG2 ILE 12 -0.419 4.105 -11.488
111 HD11 ILE 12 3HD1 ILE 12 1.789 1.807 -8.599
112 HD12 ILE 12 1HD1 ILE 12 2.957 2.942 -9.274
113 HD13 ILE 12 2HD1 ILE 12 1.791 2.144 -10.329
114 H LEU 13 H LEU 13 -3.040 2.877 -7.664
115 HA LEU 13 HA LEU 13 -4.930 2.291 -9.763
116 HB2 LEU 13 1HB LEU 13 -5.161 1.793 -6.785
117 HB3 LEU 13 2HB LEU 13 -6.125 1.038 -8.054
118 HG LEU 13 HG LEU 13 -3.116 0.768 -7.764
119 HD11 LEU 13 1HD1 LEU 13 -4.525 -0.350 -5.982
120 HD12 LEU 13 2HD1 LEU 13 -3.549 -1.458 -6.944
121 HD13 LEU 13 3HD1 LEU 13 -5.274 -1.298 -7.267
122 HD21 LEU 13 3HD2 LEU 13 -3.674 -1.197 -9.408
123 HD22 LEU 13 1HD2 LEU 13 -3.578 0.438 -10.057
124 HD23 LEU 13 2HD2 LEU 13 -5.151 -0.290 -9.732
Start of MODEL 17
1 H1 GLU 1 1H GLU 1 0.762 -6.503 11.719
2 H2 GLU 1 2H GLU 1 1.037 -7.459 10.342
3 H3 GLU 1 3H GLU 1 -0.434 -6.631 10.523
4 HA GLU 1 HA GLU 1 2.136 -5.185 10.410
5 HB2 GLU 1 1HB GLU 1 1.320 -4.814 7.924
6 HB3 GLU 1 2HB GLU 1 2.242 -6.262 8.335
7 HG2 GLU 1 1HG GLU 1 0.219 -7.577 8.526
8 HG3 GLU 1 2HG GLU 1 -0.785 -6.140 8.326
9 H LEU 2 H LEU 2 1.396 -3.523 11.675
10 HA LEU 2 HA LEU 2 -1.239 -2.453 11.550
11 HB2 LEU 2 1HB LEU 2 1.351 -1.275 12.582
12 HB3 LEU 2 2HB LEU 2 -0.226 -0.523 12.796
13 HG LEU 2 HG LEU 2 0.430 -3.335 13.728
14 HD11 LEU 2 1HD1 LEU 2 0.541 -2.290 16.004
15 HD12 LEU 2 2HD1 LEU 2 0.476 -0.706 15.236
16 HD13 LEU 2 3HD1 LEU 2 1.848 -1.774 14.938
17 HD21 LEU 2 3HD2 LEU 2 -1.926 -3.163 13.603
18 HD22 LEU 2 1HD2 LEU 2 -1.922 -1.461 14.063
19 HD23 LEU 2 2HD2 LEU 2 -1.598 -2.706 15.268
20 H TYR 3 H TYR 3 1.829 -1.604 10.032
21 HA TYR 3 HA TYR 3 0.610 0.614 8.559
22 HB2 TYR 3 1HB TYR 3 3.426 -0.482 8.692
23 HB3 TYR 3 2HB TYR 3 2.944 0.830 7.617
24 HD1 TYR 3 HD1 TYR 3 2.156 2.988 8.535
25 HD2 TYR 3 HD2 TYR 3 3.614 -0.148 11.081
26 HE1 TYR 3 HE1 TYR 3 2.386 4.609 10.397
27 HE2 TYR 3 HE2 TYR 3 3.847 1.474 12.944
28 HH TYR 3 HH TYR 3 3.650 4.851 12.473
29 H GLU 4 H GLU 4 -0.026 0.510 6.484
30 HA GLU 4 HA GLU 4 -0.091 -2.072 5.168
31 HB2 GLU 4 1HB GLU 4 -1.074 0.663 4.302
32 HB3 GLU 4 2HB GLU 4 -1.336 -0.828 3.401
33 HG2 GLU 4 1HG GLU 4 -3.314 -0.639 4.648
34 HG3 GLU 4 2HG GLU 4 -2.348 -1.733 5.632
35 H ASN 5 H ASN 5 0.594 -2.299 2.877
36 HA ASN 5 HA ASN 5 3.240 -1.050 2.490
37 HB2 ASN 5 1HB ASN 5 2.010 -3.386 1.012
38 HB3 ASN 5 2HB ASN 5 3.702 -2.888 1.012
39 HD21 ASN 5 2HD2 ASN 5 1.875 -5.282 2.213
40 HD22 ASN 5 1HD2 ASN 5 2.638 -5.541 3.707
41 H LYS 6 H LYS 6 3.766 0.057 0.608
42 HA LYS 6 HA LYS 6 1.562 1.346 -0.728
43 HB2 LYS 6 1HB LYS 6 4.517 1.702 -1.159
44 HB3 LYS 6 2HB LYS 6 3.228 2.798 -1.658
45 HG2 LYS 6 1HG LYS 6 2.579 2.767 0.895
46 HG3 LYS 6 2HG LYS 6 4.234 2.197 1.119
47 HD2 LYS 6 1HD LYS 6 4.973 4.184 -0.285
48 HD3 LYS 6 2HD LYS 6 3.321 4.783 -0.141
49 HE2 LYS 6 1HE LYS 6 4.536 5.822 1.636
50 HE3 LYS 6 2HE LYS 6 3.596 4.534 2.387
51 HZ1 LYS 6 3HZ LYS 6 5.965 4.625 3.085
52 HZ2 LYS 6 1HZ LYS 6 6.408 4.215 1.500
53 HZ3 LYS 6 2HZ LYS 6 5.492 3.130 2.431
54 HA PRO 7 HA PRO 7 3.039 -0.973 -4.574
55 HB2 PRO 7 1HB PRO 7 4.317 -3.259 -4.369
56 HB3 PRO 7 2HB PRO 7 5.135 -1.756 -3.892
57 HG2 PRO 7 1HG PRO 7 3.978 -3.896 -2.176
58 HG3 PRO 7 2HG PRO 7 5.398 -2.870 -1.894
59 HD2 PRO 7 1HD PRO 7 2.680 -2.410 -0.974
60 HD3 PRO 7 2HD PRO 7 4.113 -1.378 -0.729
61 H ARG 8 H ARG 8 1.353 -2.158 -2.020
62 HA ARG 8 HA ARG 8 -0.186 -4.155 -3.565
63 HB2 ARG 8 1HB ARG 8 -0.067 -5.406 -1.652
64 HB3 ARG 8 2HB ARG 8 0.821 -4.121 -0.849
65 HG2 ARG 8 1HG ARG 8 -1.271 -3.047 -0.168
66 HG3 ARG 8 2HG ARG 8 -2.204 -4.262 -1.047
67 HD2 ARG 8 1HD ARG 8 -0.287 -4.888 1.213
68 HD3 ARG 8 2HD ARG 8 -2.030 -4.721 1.413
69 HE ARG 8 HE ARG 8 -1.579 -6.592 -0.629
70 HH11 ARG 8 1HH2 ARG 8 -1.050 -6.169 2.766
71 HH12 ARG 8 2HH2 ARG 8 -1.100 -7.863 3.123
72 HH21 ARG 8 1HH1 ARG 8 -1.648 -8.813 -0.165
73 HH22 ARG 8 2HH1 ARG 8 -1.440 -9.360 1.465
74 H ARG 9 H ARG 9 -0.096 -1.261 -1.653
75 HA ARG 9 HA ARG 9 -2.796 -0.509 -2.553
76 HB2 ARG 9 1HB ARG 9 -1.478 -0.386 0.096
77 HB3 ARG 9 2HB ARG 9 -2.466 1.008 -0.325
78 HG2 ARG 9 1HG ARG 9 -4.377 -0.493 -0.793
79 HG3 ARG 9 2HG ARG 9 -3.385 -1.885 -0.359
80 HD2 ARG 9 1HD ARG 9 -4.826 -1.152 1.524
81 HD3 ARG 9 2HD ARG 9 -3.114 -1.022 1.910
82 HE ARG 9 HE ARG 9 -3.656 1.454 0.991
83 HH11 ARG 9 1HH2 ARG 9 -5.269 -0.632 3.234
84 HH12 ARG 9 2HH2 ARG 9 -5.924 0.665 4.178
85 HH21 ARG 9 1HH1 ARG 9 -4.514 3.156 2.224
86 HH22 ARG 9 2HH1 ARG 9 -5.496 2.807 3.607
87 HA PRO 10 HA PRO 10 0.631 2.594 -3.786
88 HB2 PRO 10 1HB PRO 10 0.590 2.134 -6.519
89 HB3 PRO 10 2HB PRO 10 1.724 1.340 -5.410
90 HG2 PRO 10 1HG PRO 10 -0.812 0.306 -6.588
91 HG3 PRO 10 2HG PRO 10 0.718 -0.536 -6.271
92 HD2 PRO 10 1HD PRO 10 -1.456 -0.804 -4.650
93 HD3 PRO 10 2HD PRO 10 0.207 -0.898 -4.054
94 H TYR 11 H TYR 11 0.250 4.573 -5.010
95 HA TYR 11 HA TYR 11 -2.587 5.244 -5.126
96 HB2 TYR 11 1HB TYR 11 -0.099 6.938 -5.489
97 HB3 TYR 11 2HB TYR 11 -1.751 7.558 -5.464
98 HD1 TYR 11 HD1 TYR 11 0.891 5.914 -3.454
99 HD2 TYR 11 HD2 TYR 11 -3.003 7.728 -3.408
100 HE1 TYR 11 HE1 TYR 11 0.950 5.982 -0.976
101 HE2 TYR 11 HE2 TYR 11 -2.944 7.793 -0.929
102 HH TYR 11 HH TYR 11 -0.090 6.639 0.869
103 H ILE 12 H ILE 12 -0.632 3.765 -7.222
104 HA ILE 12 HA ILE 12 -0.878 5.248 -9.621
105 HB ILE 12 HB ILE 12 -0.633 2.258 -9.176
106 HG12 ILE 12 1HG1 ILE 12 1.250 3.534 -8.251
107 HG13 ILE 12 2HG1 ILE 12 1.762 2.652 -9.684
108 HG21 ILE 12 1HG2 ILE 12 -1.469 2.621 -11.406
109 HG22 ILE 12 2HG2 ILE 12 0.261 2.307 -11.544
110 HG23 ILE 12 3HG2 ILE 12 -0.347 3.957 -11.669
111 HD11 ILE 12 3HD1 ILE 12 1.124 4.952 -10.893
112 HD12 ILE 12 1HD1 ILE 12 2.693 4.724 -10.126
113 HD13 ILE 12 2HD1 ILE 12 1.419 5.599 -9.282
114 H LEU 13 H LEU 13 -3.081 3.311 -7.806
115 HA LEU 13 HA LEU 13 -4.953 2.930 -9.994
116 HB2 LEU 13 1HB LEU 13 -6.434 2.196 -7.926
117 HB3 LEU 13 2HB LEU 13 -5.130 1.162 -8.500
118 HG LEU 13 HG LEU 13 -3.635 1.999 -6.784
119 HD11 LEU 13 1HD1 LEU 13 -4.220 4.290 -6.542
120 HD12 LEU 13 2HD1 LEU 13 -4.694 3.558 -5.011
121 HD13 LEU 13 3HD1 LEU 13 -5.915 3.908 -6.236
122 HD21 LEU 13 3HD2 LEU 13 -4.975 0.161 -6.046
123 HD22 LEU 13 1HD2 LEU 13 -6.385 1.194 -5.812
124 HD23 LEU 13 2HD2 LEU 13 -4.999 1.335 -4.732
Start of MODEL 18
1 H1 GLU 1 1H GLU 1 -3.779 -4.911 6.043
2 H2 GLU 1 2H GLU 1 -3.726 -3.263 6.453
3 H3 GLU 1 3H GLU 1 -4.420 -4.386 7.522
4 HA GLU 1 HA GLU 1 -2.387 -5.286 8.131
5 HB2 GLU 1 1HB GLU 1 -1.594 -5.515 5.767
6 HB3 GLU 1 2HB GLU 1 -1.177 -3.799 5.777
7 HG2 GLU 1 1HG GLU 1 0.381 -4.166 7.632
8 HG3 GLU 1 2HG GLU 1 -0.058 -5.872 7.689
9 H LEU 2 H LEU 2 -1.034 -4.292 9.650
10 HA LEU 2 HA LEU 2 -1.750 -1.659 10.450
11 HB2 LEU 2 1HB LEU 2 0.509 -3.481 11.303
12 HB3 LEU 2 2HB LEU 2 0.162 -1.937 12.071
13 HG LEU 2 HG LEU 2 -1.881 -4.162 11.799
14 HD11 LEU 2 1HD1 LEU 2 0.041 -4.892 13.169
15 HD12 LEU 2 2HD1 LEU 2 -1.404 -4.677 14.155
16 HD13 LEU 2 3HD1 LEU 2 -0.133 -3.455 14.176
17 HD21 LEU 2 3HD2 LEU 2 -3.104 -2.210 12.225
18 HD22 LEU 2 1HD2 LEU 2 -1.810 -1.471 13.166
19 HD23 LEU 2 2HD2 LEU 2 -2.783 -2.765 13.861
20 H TYR 3 H TYR 3 1.078 -3.023 8.817
21 HA TYR 3 HA TYR 3 2.294 -0.376 8.512
22 HB2 TYR 3 1HB TYR 3 3.704 -2.351 9.048
23 HB3 TYR 3 2HB TYR 3 3.224 -3.081 7.517
24 HD1 TYR 3 HD1 TYR 3 5.100 -0.308 9.087
25 HD2 TYR 3 HD2 TYR 3 4.075 -2.264 5.402
26 HE1 TYR 3 HE1 TYR 3 6.874 0.968 7.914
27 HE2 TYR 3 HE2 TYR 3 5.848 -0.988 4.231
28 HH TYR 3 HH TYR 3 7.077 1.183 4.564
29 H GLU 4 H GLU 4 2.008 0.852 6.751
30 HA GLU 4 HA GLU 4 0.495 -0.232 4.480
31 HB2 GLU 4 1HB GLU 4 1.357 2.584 5.203
32 HB3 GLU 4 2HB GLU 4 0.412 2.164 3.774
33 HG2 GLU 4 1HG GLU 4 -1.371 1.255 5.184
34 HG3 GLU 4 2HG GLU 4 -0.420 1.577 6.631
35 H ASN 5 H ASN 5 1.559 -1.006 2.727
36 HA ASN 5 HA ASN 5 4.359 -0.176 2.312
37 HB2 ASN 5 1HB ASN 5 3.551 -2.628 2.429
38 HB3 ASN 5 2HB ASN 5 2.932 -2.343 0.811
39 HD21 ASN 5 2HD2 ASN 5 4.609 -4.013 0.137
40 HD22 ASN 5 1HD2 ASN 5 6.210 -3.497 -0.095
41 H LYS 6 H LYS 6 4.860 -0.374 -0.237
42 HA LYS 6 HA LYS 6 3.261 1.775 -1.448
43 HB2 LYS 6 1HB LYS 6 5.876 0.754 -2.516
44 HB3 LYS 6 2HB LYS 6 5.160 2.357 -2.678
45 HG2 LYS 6 1HG LYS 6 6.235 1.132 -0.117
46 HG3 LYS 6 2HG LYS 6 6.988 2.421 -1.052
47 HD2 LYS 6 1HD LYS 6 4.863 3.770 -0.703
48 HD3 LYS 6 2HD LYS 6 4.371 2.538 0.460
49 HE2 LYS 6 1HE LYS 6 6.854 4.267 0.594
50 HE3 LYS 6 2HE LYS 6 5.462 4.326 1.677
51 HZ1 LYS 6 3HZ LYS 6 6.703 2.943 2.911
52 HZ2 LYS 6 1HZ LYS 6 7.678 2.464 1.609
53 HZ3 LYS 6 2HZ LYS 6 6.153 1.748 1.835
54 HA PRO 7 HA PRO 7 3.039 -1.355 -4.992
55 HB2 PRO 7 1HB PRO 7 4.293 -3.669 -4.907
56 HB3 PRO 7 2HB PRO 7 5.222 -2.154 -4.939
57 HG2 PRO 7 1HG PRO 7 4.728 -4.010 -2.666
58 HG3 PRO 7 2HG PRO 7 6.139 -2.989 -3.000
59 HD2 PRO 7 1HD PRO 7 3.838 -2.349 -1.323
60 HD3 PRO 7 2HD PRO 7 5.274 -1.344 -1.646
61 H ARG 8 H ARG 8 2.264 -2.350 -1.889
62 HA ARG 8 HA ARG 8 0.294 -4.374 -2.771
63 HB2 ARG 8 1HB ARG 8 1.304 -5.473 -1.001
64 HB3 ARG 8 2HB ARG 8 1.937 -3.989 -0.320
65 HG2 ARG 8 1HG ARG 8 -0.220 -3.458 0.682
66 HG3 ARG 8 2HG ARG 8 -0.960 -4.860 -0.104
67 HD2 ARG 8 1HD ARG 8 1.341 -5.001 1.858
68 HD3 ARG 8 2HD ARG 8 -0.345 -5.244 2.296
69 HE ARG 8 HE ARG 8 0.185 -6.996 0.196
70 HH11 ARG 8 1HH2 ARG 8 1.295 -6.365 3.411
71 HH12 ARG 8 2HH2 ARG 8 1.724 -8.011 3.735
72 HH21 ARG 8 1HH1 ARG 8 0.745 -9.157 0.611
73 HH22 ARG 8 2HH1 ARG 8 1.412 -9.594 2.149
74 H ARG 9 H ARG 9 1.008 -1.396 -1.181
75 HA ARG 9 HA ARG 9 -1.828 -0.627 -1.195
76 HB2 ARG 9 1HB ARG 9 0.220 -0.568 0.905
77 HB3 ARG 9 2HB ARG 9 -0.614 0.976 0.727
78 HG2 ARG 9 1HG ARG 9 -2.781 -0.096 1.020
79 HG3 ARG 9 2HG ARG 9 -2.034 -1.692 1.010
80 HD2 ARG 9 1HD ARG 9 -1.023 -1.361 3.113
81 HD3 ARG 9 2HD ARG 9 -1.235 0.386 3.037
82 HE ARG 9 HE ARG 9 -3.793 -0.603 2.986
83 HH11 ARG 9 1HH2 ARG 9 -1.029 -0.978 5.030
84 HH12 ARG 9 2HH2 ARG 9 -1.952 -1.249 6.468
85 HH21 ARG 9 1HH1 ARG 9 -5.015 -0.968 4.864
86 HH22 ARG 9 2HH1 ARG 9 -4.212 -1.243 6.375
87 HA PRO 10 HA PRO 10 0.986 2.310 -3.695
88 HB2 PRO 10 1HB PRO 10 0.038 1.683 -6.216
89 HB3 PRO 10 2HB PRO 10 1.453 0.901 -5.489
90 HG2 PRO 10 1HG PRO 10 -1.359 -0.072 -5.666
91 HG3 PRO 10 2HG PRO 10 0.164 -0.964 -5.854
92 HD2 PRO 10 1HD PRO 10 -1.294 -1.073 -3.562
93 HD3 PRO 10 2HD PRO 10 0.471 -1.179 -3.577
94 H TYR 11 H TYR 11 0.247 4.273 -4.656
95 HA TYR 11 HA TYR 11 -2.466 4.985 -3.932
96 HB2 TYR 11 1HB TYR 11 -0.298 6.608 -5.289
97 HB3 TYR 11 2HB TYR 11 -1.809 7.245 -4.641
98 HD1 TYR 11 HD2 TYR 11 -2.282 7.031 -2.167
99 HD2 TYR 11 HD1 TYR 11 1.564 6.163 -3.868
100 HE1 TYR 11 HE2 TYR 11 -1.249 7.202 0.082
101 HE2 TYR 11 HE1 TYR 11 2.597 6.334 -1.621
102 HH TYR 11 HH TYR 11 1.737 7.734 0.696
103 H ILE 12 H ILE 12 -1.221 3.396 -6.493
104 HA ILE 12 HA ILE 12 -2.335 4.690 -8.749
105 HB ILE 12 HB ILE 12 -1.722 1.772 -8.211
106 HG12 ILE 12 1HG1 ILE 12 0.251 3.228 -8.159
107 HG13 ILE 12 2HG1 ILE 12 0.277 2.223 -9.600
108 HG21 ILE 12 1HG2 ILE 12 -2.583 3.191 -10.737
109 HG22 ILE 12 2HG2 ILE 12 -3.298 1.762 -9.991
110 HG23 ILE 12 3HG2 ILE 12 -1.719 1.654 -10.766
111 HD11 ILE 12 3HD1 ILE 12 0.798 4.270 -10.543
112 HD12 ILE 12 1HD1 ILE 12 -0.129 5.175 -9.351
113 HD13 ILE 12 2HD1 ILE 12 -0.957 4.350 -10.669
114 H LEU 13 H LEU 13 -3.605 2.195 -6.563
115 HA LEU 13 HA LEU 13 -6.138 2.050 -7.950
116 HB2 LEU 13 1HB LEU 13 -5.231 0.940 -5.282
117 HB3 LEU 13 2HB LEU 13 -6.787 0.593 -6.030
118 HG LEU 13 HG LEU 13 -4.118 0.044 -7.362
119 HD11 LEU 13 1HD1 LEU 13 -5.957 -1.818 -5.824
120 HD12 LEU 13 2HD1 LEU 13 -4.328 -1.333 -5.353
121 HD13 LEU 13 3HD1 LEU 13 -4.569 -2.337 -6.783
122 HD21 LEU 13 3HD2 LEU 13 -5.767 -1.599 -8.630
123 HD22 LEU 13 1HD2 LEU 13 -5.690 0.097 -9.096
124 HD23 LEU 13 2HD2 LEU 13 -7.005 -0.474 -8.072
Start of MODEL 19
1 H1 GLU 1 1H GLU 1 -4.783 -3.986 9.184
2 H2 GLU 1 2H GLU 1 -4.818 -4.724 7.654
3 H3 GLU 1 3H GLU 1 -4.389 -3.086 7.802
4 HA GLU 1 HA GLU 1 -2.832 -5.292 9.028
5 HB2 GLU 1 1HB GLU 1 -2.914 -5.457 6.526
6 HB3 GLU 1 2HB GLU 1 -2.276 -3.812 6.438
7 HG2 GLU 1 1HG GLU 1 -0.280 -4.521 7.706
8 HG3 GLU 1 2HG GLU 1 -0.910 -6.165 7.779
9 H LEU 2 H LEU 2 -1.478 -4.475 10.509
10 HA LEU 2 HA LEU 2 -1.329 -1.692 11.059
11 HB2 LEU 2 1HB LEU 2 0.329 -4.033 12.012
12 HB3 LEU 2 2HB LEU 2 0.522 -2.395 12.628
13 HG LEU 2 HG LEU 2 -2.117 -3.890 12.658
14 HD11 LEU 2 1HD1 LEU 2 -0.074 -3.576 14.880
15 HD12 LEU 2 2HD1 LEU 2 -0.427 -5.074 14.018
16 HD13 LEU 2 3HD1 LEU 2 -1.661 -4.331 15.038
17 HD21 LEU 2 3HD2 LEU 2 -2.650 -1.624 12.943
18 HD22 LEU 2 1HD2 LEU 2 -1.129 -1.256 13.756
19 HD23 LEU 2 2HD2 LEU 2 -2.404 -2.120 14.613
20 H TYR 3 H TYR 3 0.869 -3.970 9.465
21 HA TYR 3 HA TYR 3 2.784 -1.829 8.879
22 HB2 TYR 3 1HB TYR 3 2.807 -4.797 8.284
23 HB3 TYR 3 2HB TYR 3 4.106 -3.682 7.861
24 HD1 TYR 3 HD1 TYR 3 5.398 -2.521 9.639
25 HD2 TYR 3 HD2 TYR 3 2.461 -5.517 10.558
26 HE1 TYR 3 HE1 TYR 3 6.329 -2.731 11.928
27 HE2 TYR 3 HE2 TYR 3 3.390 -5.726 12.848
28 HH TYR 3 HH TYR 3 6.028 -5.116 13.821
29 H GLU 4 H GLU 4 2.460 -0.592 7.146
30 HA GLU 4 HA GLU 4 0.885 -1.614 4.876
31 HB2 GLU 4 1HB GLU 4 1.843 1.161 5.616
32 HB3 GLU 4 2HB GLU 4 0.969 0.781 4.132
33 HG2 GLU 4 1HG GLU 4 -0.929 -0.061 5.424
34 HG3 GLU 4 2HG GLU 4 -0.054 0.219 6.928
35 H ASN 5 H ASN 5 1.742 -1.947 2.871
36 HA ASN 5 HA ASN 5 4.666 -1.924 2.670
37 HB2 ASN 5 1HB ASN 5 2.562 -3.070 0.823
38 HB3 ASN 5 2HB ASN 5 4.306 -3.259 0.641
39 HD21 ASN 5 2HD2 ASN 5 2.183 -5.351 1.213
40 HD22 ASN 5 1HD2 ASN 5 2.706 -6.114 2.636
41 H LYS 6 H LYS 6 5.230 -1.583 0.101
42 HA LYS 6 HA LYS 6 4.690 1.262 -0.326
43 HB2 LYS 6 1HB LYS 6 7.002 0.481 -0.187
44 HB3 LYS 6 2HB LYS 6 6.739 -0.564 -1.580
45 HG2 LYS 6 1HG LYS 6 5.984 2.294 -1.998
46 HG3 LYS 6 2HG LYS 6 7.706 2.010 -1.751
47 HD2 LYS 6 1HD LYS 6 7.875 0.603 -3.633
48 HD3 LYS 6 2HD LYS 6 6.138 0.332 -3.705
49 HE2 LYS 6 1HE LYS 6 6.943 1.899 -5.478
50 HE3 LYS 6 2HE LYS 6 5.764 2.642 -4.397
51 HZ1 LYS 6 3HZ LYS 6 7.554 4.155 -4.663
52 HZ2 LYS 6 1HZ LYS 6 8.713 2.958 -4.337
53 HZ3 LYS 6 2HZ LYS 6 7.685 3.505 -3.098
54 HA PRO 7 HA PRO 7 3.211 -0.367 -4.476
55 HB2 PRO 7 1HB PRO 7 3.126 -2.936 -5.082
56 HB3 PRO 7 2HB PRO 7 4.689 -2.105 -4.918
57 HG2 PRO 7 1HG PRO 7 3.383 -4.022 -3.064
58 HG3 PRO 7 2HG PRO 7 5.108 -3.686 -3.307
59 HD2 PRO 7 1HD PRO 7 3.323 -2.535 -1.294
60 HD3 PRO 7 2HD PRO 7 5.076 -2.275 -1.494
61 H ARG 8 H ARG 8 1.824 -0.842 -1.692
62 HA ARG 8 HA ARG 8 -0.724 -1.992 -2.686
63 HB2 ARG 8 1HB ARG 8 -1.233 -2.690 -0.501
64 HB3 ARG 8 2HB ARG 8 0.482 -3.034 -0.642
65 HG2 ARG 8 1HG ARG 8 0.612 -1.909 1.359
66 HG3 ARG 8 2HG ARG 8 0.609 -0.480 0.335
67 HD2 ARG 8 1HD ARG 8 -1.043 -0.343 2.202
68 HD3 ARG 8 2HD ARG 8 -1.810 -0.239 0.624
69 HE ARG 8 HE ARG 8 -2.796 -2.332 0.999
70 HH11 ARG 8 1HH2 ARG 8 -0.450 -1.547 3.418
71 HH12 ARG 8 2HH2 ARG 8 -0.918 -2.829 4.483
72 HH21 ARG 8 1HH1 ARG 8 -3.414 -4.015 2.391
73 HH22 ARG 8 2HH1 ARG 8 -2.596 -4.226 3.903
74 H ARG 9 H ARG 9 0.990 0.686 -1.651
75 HA ARG 9 HA ARG 9 -1.356 2.306 -1.075
76 HB2 ARG 9 1HB ARG 9 1.587 2.589 -0.618
77 HB3 ARG 9 2HB ARG 9 0.575 4.032 -0.623
78 HG2 ARG 9 1HG ARG 9 -0.701 3.297 1.222
79 HG3 ARG 9 2HG ARG 9 -0.179 1.624 1.036
80 HD2 ARG 9 1HD ARG 9 1.721 1.969 2.260
81 HD3 ARG 9 2HD ARG 9 2.048 3.524 1.500
82 HE ARG 9 HE ARG 9 -0.169 3.500 3.393
83 HH11 ARG 9 1HH2 ARG 9 3.203 4.015 2.802
84 HH12 ARG 9 2HH2 ARG 9 3.426 5.046 4.176
85 HH21 ARG 9 1HH1 ARG 9 0.120 4.850 5.197
86 HH22 ARG 9 2HH1 ARG 9 1.683 5.518 5.532
87 HA PRO 10 HA PRO 10 0.888 4.106 -5.103
88 HB2 PRO 10 1HB PRO 10 -0.053 1.763 -6.719
89 HB3 PRO 10 2HB PRO 10 1.397 2.764 -6.932
90 HG2 PRO 10 1HG PRO 10 1.552 0.342 -5.903
91 HG3 PRO 10 2HG PRO 10 2.549 1.675 -5.278
92 HD2 PRO 10 1HD PRO 10 0.100 0.432 -4.074
93 HD3 PRO 10 2HD PRO 10 1.571 1.052 -3.275
94 H TYR 11 H TYR 11 -0.412 5.425 -6.404
95 HA TYR 11 HA TYR 11 -3.162 5.602 -5.805
96 HB2 TYR 11 1HB TYR 11 -1.626 6.770 -8.139
97 HB3 TYR 11 2HB TYR 11 -3.239 7.268 -7.626
98 HD1 TYR 11 HD2 TYR 11 0.343 7.230 -6.727
99 HD2 TYR 11 HD1 TYR 11 -3.582 8.566 -5.607
100 HE1 TYR 11 HE2 TYR 11 1.342 8.762 -5.053
101 HE2 TYR 11 HE1 TYR 11 -2.583 10.099 -3.934
102 HH TYR 11 HH TYR 11 0.885 10.608 -3.750
103 H ILE 12 H ILE 12 -1.583 3.367 -7.681
104 HA ILE 12 HA ILE 12 -3.288 3.069 -9.917
105 HB ILE 12 HB ILE 12 -1.751 0.907 -8.463
106 HG12 ILE 12 1HG1 ILE 12 -0.247 2.753 -8.980
107 HG13 ILE 12 2HG1 ILE 12 0.060 1.434 -10.105
108 HG21 ILE 12 1HG2 ILE 12 -1.646 0.001 -10.859
109 HG22 ILE 12 2HG2 ILE 12 -2.918 1.163 -11.236
110 HG23 ILE 12 3HG2 ILE 12 -3.205 -0.103 -10.042
111 HD11 ILE 12 3HD1 ILE 12 -1.659 2.695 -11.644
112 HD12 ILE 12 1HD1 ILE 12 -0.006 3.293 -11.527
113 HD13 ILE 12 2HD1 ILE 12 -1.292 4.075 -10.611
114 H LEU 13 H LEU 13 -3.338 1.613 -6.679
115 HA LEU 13 HA LEU 13 -5.730 0.088 -7.217
116 HB2 LEU 13 1HB LEU 13 -4.392 0.727 -4.576
117 HB3 LEU 13 2HB LEU 13 -5.611 -0.515 -4.853
118 HG LEU 13 HG LEU 13 -2.879 -0.430 -6.171
119 HD11 LEU 13 1HD1 LEU 13 -2.490 -2.461 -4.723
120 HD12 LEU 13 2HD1 LEU 13 -3.989 -2.073 -3.879
121 HD13 LEU 13 3HD1 LEU 13 -2.630 -0.949 -3.825
122 HD21 LEU 13 3HD2 LEU 13 -3.649 -2.913 -6.630
123 HD22 LEU 13 1HD2 LEU 13 -4.234 -1.621 -7.674
124 HD23 LEU 13 2HD2 LEU 13 -5.270 -2.259 -6.398
Start of MODEL 20
1 H1 GLU 1 1H GLU 1 -4.427 -5.059 6.978
2 H2 GLU 1 2H GLU 1 -3.949 -3.574 6.307
3 H3 GLU 1 3H GLU 1 -4.555 -3.636 7.892
4 HA GLU 1 HA GLU 1 -2.603 -5.178 8.388
5 HB2 GLU 1 1HB GLU 1 -2.065 -5.467 5.947
6 HB3 GLU 1 2HB GLU 1 -1.585 -3.771 5.898
7 HG2 GLU 1 1HG GLU 1 0.418 -5.061 6.228
8 HG3 GLU 1 2HG GLU 1 0.052 -4.279 7.764
9 H LEU 2 H LEU 2 -1.241 -4.181 9.829
10 HA LEU 2 HA LEU 2 -1.782 -1.477 10.519
11 HB2 LEU 2 1HB LEU 2 0.359 -3.417 11.416
12 HB3 LEU 2 2HB LEU 2 0.192 -1.797 12.082
13 HG LEU 2 HG LEU 2 -2.249 -2.405 12.586
14 HD11 LEU 2 1HD1 LEU 2 -2.504 -4.948 12.932
15 HD12 LEU 2 2HD1 LEU 2 -1.142 -5.116 11.829
16 HD13 LEU 2 3HD1 LEU 2 -2.633 -4.350 11.281
17 HD21 LEU 2 3HD2 LEU 2 0.049 -3.831 13.951
18 HD22 LEU 2 1HD2 LEU 2 -1.575 -3.722 14.630
19 HD23 LEU 2 2HD2 LEU 2 -0.626 -2.257 14.371
20 H TYR 3 H TYR 3 0.917 -3.081 8.877
21 HA TYR 3 HA TYR 3 2.272 -0.523 8.425
22 HB2 TYR 3 1HB TYR 3 3.499 -2.670 9.013
23 HB3 TYR 3 2HB TYR 3 3.076 -3.252 7.404
24 HD1 TYR 3 HD1 TYR 3 4.950 -0.671 9.285
25 HD2 TYR 3 HD2 TYR 3 4.144 -2.376 5.426
26 HE1 TYR 3 HE1 TYR 3 6.860 0.590 8.329
27 HE2 TYR 3 HE2 TYR 3 6.053 -1.116 4.469
28 HH TYR 3 HH TYR 3 7.952 0.047 5.031
29 H GLU 4 H GLU 4 1.946 0.658 6.648
30 HA GLU 4 HA GLU 4 0.457 -0.518 4.389
31 HB2 GLU 4 1HB GLU 4 1.056 2.351 5.155
32 HB3 GLU 4 2HB GLU 4 0.167 1.869 3.710
33 HG2 GLU 4 1HG GLU 4 -1.535 0.770 5.094
34 HG3 GLU 4 2HG GLU 4 -0.630 1.173 6.551
35 H ASN 5 H ASN 5 1.593 -1.159 2.616
36 HA ASN 5 HA ASN 5 4.329 -0.107 2.262
37 HB2 ASN 5 1HB ASN 5 2.996 -2.373 0.806
38 HB3 ASN 5 2HB ASN 5 4.714 -2.003 0.866
39 HD21 ASN 5 2HD2 ASN 5 2.056 -3.481 2.626
40 HD22 ASN 5 1HD2 ASN 5 2.994 -4.066 3.914
41 H LYS 6 H LYS 6 4.919 -0.142 -0.230
42 HA LYS 6 HA LYS 6 3.162 1.862 -1.471
43 HB2 LYS 6 1HB LYS 6 6.071 1.160 -1.734
44 HB3 LYS 6 2HB LYS 6 5.275 2.124 -2.976
45 HG2 LYS 6 1HG LYS 6 6.363 3.522 -1.222
46 HG3 LYS 6 2HG LYS 6 4.626 3.796 -1.327
47 HD2 LYS 6 1HD LYS 6 4.188 2.627 0.664
48 HD3 LYS 6 2HD LYS 6 5.727 1.767 0.614
49 HE2 LYS 6 1HE LYS 6 5.512 3.694 2.313
50 HE3 LYS 6 2HE LYS 6 6.943 3.690 1.284
51 HZ1 LYS 6 3HZ LYS 6 6.312 5.564 0.293
52 HZ2 LYS 6 1HZ LYS 6 5.200 5.751 1.560
53 HZ3 LYS 6 2HZ LYS 6 4.708 5.038 0.099
54 HA PRO 7 HA PRO 7 3.411 -1.221 -5.057
55 HB2 PRO 7 1HB PRO 7 4.748 -3.473 -4.891
56 HB3 PRO 7 2HB PRO 7 5.620 -1.927 -4.807
57 HG2 PRO 7 1HG PRO 7 4.942 -3.826 -2.612
58 HG3 PRO 7 2HG PRO 7 6.382 -2.811 -2.814
59 HD2 PRO 7 1HD PRO 7 3.981 -2.170 -1.309
60 HD3 PRO 7 2HD PRO 7 5.410 -1.139 -1.576
61 H ARG 8 H ARG 8 2.482 -2.288 -2.017
62 HA ARG 8 HA ARG 8 0.624 -4.352 -3.033
63 HB2 ARG 8 1HB ARG 8 1.634 -5.462 -1.269
64 HB3 ARG 8 2HB ARG 8 2.150 -3.974 -0.502
65 HG2 ARG 8 1HG ARG 8 -0.104 -3.602 0.387
66 HG3 ARG 8 2HG ARG 8 -0.690 -5.045 -0.453
67 HD2 ARG 8 1HD ARG 8 1.005 -6.374 0.849
68 HD3 ARG 8 2HD ARG 8 1.377 -4.907 1.750
69 HE ARG 8 HE ARG 8 -1.399 -5.327 1.886
70 HH11 ARG 8 1HH2 ARG 8 1.582 -6.767 2.888
71 HH12 ARG 8 2HH2 ARG 8 0.913 -7.499 4.309
72 HH21 ARG 8 1HH1 ARG 8 -2.287 -6.285 3.744
73 HH22 ARG 8 2HH1 ARG 8 -1.278 -7.226 4.792
74 H ARG 9 H ARG 9 1.195 -1.400 -1.364
75 HA ARG 9 HA ARG 9 -1.662 -0.718 -1.429
76 HB2 ARG 9 1HB ARG 9 0.314 -0.683 0.726
77 HB3 ARG 9 2HB ARG 9 -0.495 0.875 0.552
78 HG2 ARG 9 1HG ARG 9 -2.665 -0.124 0.841
79 HG3 ARG 9 2HG ARG 9 -2.002 -1.751 0.681
80 HD2 ARG 9 1HD ARG 9 -0.841 -1.569 2.768
81 HD3 ARG 9 2HD ARG 9 -1.192 0.152 2.880
82 HE ARG 9 HE ARG 9 -2.917 -1.983 3.685
83 HH11 ARG 9 1HH2 ARG 9 -2.822 1.179 2.277
84 HH12 ARG 9 2HH2 ARG 9 -4.412 1.612 2.809
85 HH21 ARG 9 1HH1 ARG 9 -5.002 -1.420 4.384
86 HH22 ARG 9 2HH1 ARG 9 -5.646 0.139 4.001
87 HA PRO 10 HA PRO 10 1.124 2.346 -3.815
88 HB2 PRO 10 1HB PRO 10 0.258 1.727 -6.366
89 HB3 PRO 10 2HB PRO 10 1.679 0.975 -5.616
90 HG2 PRO 10 1HG PRO 10 -1.100 -0.075 -5.871
91 HG3 PRO 10 2HG PRO 10 0.452 -0.920 -6.040
92 HD2 PRO 10 1HD PRO 10 -1.050 -1.108 -3.786
93 HD3 PRO 10 2HD PRO 10 0.720 -1.157 -3.761
94 H TYR 11 H TYR 11 0.352 4.282 -4.825
95 HA TYR 11 HA TYR 11 -2.279 5.053 -4.021
96 HB2 TYR 11 1HB TYR 11 -1.735 7.210 -4.984
97 HB3 TYR 11 2HB TYR 11 -0.324 6.607 -4.113
98 HD1 TYR 11 HD2 TYR 11 -1.779 7.277 -7.427
99 HD2 TYR 11 HD1 TYR 11 1.661 5.820 -5.307
100 HE1 TYR 11 HE2 TYR 11 -0.437 7.420 -9.507
101 HE2 TYR 11 HE1 TYR 11 3.003 5.962 -7.387
102 HH TYR 11 HH TYR 11 1.542 6.565 -10.478
103 H ILE 12 H ILE 12 -1.257 3.246 -6.601
104 HA ILE 12 HA ILE 12 -2.679 4.254 -8.797
105 HB ILE 12 HB ILE 12 -2.019 1.397 -8.042
106 HG12 ILE 12 1HG1 ILE 12 -0.703 3.239 -10.057
107 HG13 ILE 12 2HG1 ILE 12 -0.136 3.076 -8.394
108 HG21 ILE 12 1HG2 ILE 12 -3.778 1.258 -9.645
109 HG22 ILE 12 2HG2 ILE 12 -2.290 1.078 -10.574
110 HG23 ILE 12 3HG2 ILE 12 -3.145 2.621 -10.568
111 HD11 ILE 12 3HD1 ILE 12 -0.468 0.736 -10.290
112 HD12 ILE 12 1HD1 ILE 12 0.300 0.719 -8.702
113 HD13 ILE 12 2HD1 ILE 12 1.059 1.583 -10.039
114 H LEU 13 H LEU 13 -3.761 2.682 -5.915
115 HA LEU 13 HA LEU 13 -6.314 1.845 -6.963
116 HB2 LEU 13 1HB LEU 13 -6.854 1.392 -4.582
117 HB3 LEU 13 2HB LEU 13 -5.356 0.633 -5.104
118 HG LEU 13 HG LEU 13 -4.337 2.989 -4.195
119 HD11 LEU 13 1HD1 LEU 13 -5.486 3.458 -1.993
120 HD12 LEU 13 2HD1 LEU 13 -6.842 2.487 -2.557
121 HD13 LEU 13 3HD1 LEU 13 -6.400 3.965 -3.411
122 HD21 LEU 13 3HD2 LEU 13 -3.612 0.745 -3.490
123 HD22 LEU 13 1HD2 LEU 13 -5.038 0.596 -2.463
124 HD23 LEU 13 2HD2 LEU 13 -3.806 1.801 -2.090
Start of MODEL 21
1 H1 GLU 1 1H GLU 1 -4.665 -3.915 8.340
2 H2 GLU 1 2H GLU 1 -3.785 -4.707 9.558
3 H3 GLU 1 3H GLU 1 -4.265 -5.554 8.166
4 HA GLU 1 HA GLU 1 -1.904 -4.974 8.112
5 HB2 GLU 1 1HB GLU 1 -2.085 -3.665 5.873
6 HB3 GLU 1 2HB GLU 1 -2.839 -5.255 5.966
7 HG2 GLU 1 1HG GLU 1 -4.379 -2.735 6.596
8 HG3 GLU 1 2HG GLU 1 -4.248 -3.354 4.952
9 H LEU 2 H LEU 2 -1.445 -3.659 10.005
10 HA LEU 2 HA LEU 2 -1.973 -0.867 10.083
11 HB2 LEU 2 1HB LEU 2 0.081 -2.573 11.503
12 HB3 LEU 2 2HB LEU 2 -0.157 -0.861 11.840
13 HG LEU 2 HG LEU 2 -2.379 -2.920 11.996
14 HD11 LEU 2 1HD1 LEU 2 -0.671 -3.494 13.638
15 HD12 LEU 2 2HD1 LEU 2 -2.051 -2.770 14.466
16 HD13 LEU 2 3HD1 LEU 2 -0.594 -1.819 14.186
17 HD21 LEU 2 3HD2 LEU 2 -2.118 0.009 12.681
18 HD22 LEU 2 1HD2 LEU 2 -3.242 -0.997 13.595
19 HD23 LEU 2 2HD2 LEU 2 -3.431 -0.826 11.855
20 H TYR 3 H TYR 3 0.773 -2.791 8.955
21 HA TYR 3 HA TYR 3 2.238 -0.387 8.148
22 HB2 TYR 3 1HB TYR 3 2.895 -3.335 7.947
23 HB3 TYR 3 2HB TYR 3 3.960 -2.038 7.408
24 HD1 TYR 3 HD1 TYR 3 2.297 -3.547 10.362
25 HD2 TYR 3 HD2 TYR 3 5.191 -0.693 8.971
26 HE1 TYR 3 HE1 TYR 3 3.140 -3.269 12.679
27 HE2 TYR 3 HE2 TYR 3 6.034 -0.418 11.286
28 HH TYR 3 HH TYR 3 6.049 -1.883 13.421
29 H GLU 4 H GLU 4 1.625 0.553 6.309
30 HA GLU 4 HA GLU 4 0.570 -1.081 4.089
31 HB2 GLU 4 1HB GLU 4 0.565 1.907 4.590
32 HB3 GLU 4 2HB GLU 4 -0.093 1.136 3.146
33 HG2 GLU 4 1HG GLU 4 -1.679 -0.137 4.523
34 HG3 GLU 4 2HG GLU 4 -0.997 0.570 5.986
35 H ASN 5 H ASN 5 1.726 -1.392 2.232
36 HA ASN 5 HA ASN 5 4.401 -0.146 2.104
37 HB2 ASN 5 1HB ASN 5 3.236 -2.477 0.595
38 HB3 ASN 5 2HB ASN 5 4.883 -1.882 0.429
39 HD21 ASN 5 2HD2 ASN 5 3.305 -4.357 1.841
40 HD22 ASN 5 1HD2 ASN 5 4.227 -4.548 3.253
41 H LYS 6 H LYS 6 4.968 -0.322 -0.544
42 HA LYS 6 HA LYS 6 3.358 1.880 -1.640
43 HB2 LYS 6 1HB LYS 6 5.998 0.910 -2.701
44 HB3 LYS 6 2HB LYS 6 5.243 2.489 -2.904
45 HG2 LYS 6 1HG LYS 6 6.288 1.332 -0.302
46 HG3 LYS 6 2HG LYS 6 7.026 2.633 -1.234
47 HD2 LYS 6 1HD LYS 6 4.761 3.853 -0.971
48 HD3 LYS 6 2HD LYS 6 4.420 2.670 0.291
49 HE2 LYS 6 1HE LYS 6 6.683 3.329 1.304
50 HE3 LYS 6 2HE LYS 6 6.651 4.707 0.207
51 HZ1 LYS 6 3HZ LYS 6 5.181 4.269 2.623
52 HZ2 LYS 6 1HZ LYS 6 4.169 4.691 1.329
53 HZ3 LYS 6 2HZ LYS 6 5.455 5.713 1.767
54 HA PRO 7 HA PRO 7 3.116 -1.114 -5.300
55 HB2 PRO 7 1HB PRO 7 4.439 -3.372 -5.355
56 HB3 PRO 7 2HB PRO 7 5.337 -1.842 -5.257
57 HG2 PRO 7 1HG PRO 7 4.795 -3.846 -3.114
58 HG3 PRO 7 2HG PRO 7 6.236 -2.847 -3.378
59 HD2 PRO 7 1HD PRO 7 3.964 -2.241 -1.664
60 HD3 PRO 7 2HD PRO 7 5.396 -1.228 -1.977
61 H ARG 8 H ARG 8 2.461 -2.339 -2.230
62 HA ARG 8 HA ARG 8 0.507 -4.345 -3.165
63 HB2 ARG 8 1HB ARG 8 1.826 -5.460 -1.585
64 HB3 ARG 8 2HB ARG 8 2.179 -3.993 -0.701
65 HG2 ARG 8 1HG ARG 8 -0.112 -3.979 0.208
66 HG3 ARG 8 2HG ARG 8 -0.463 -5.473 -0.669
67 HD2 ARG 8 1HD ARG 8 1.459 -6.526 0.565
68 HD3 ARG 8 2HD ARG 8 1.597 -5.039 1.502
69 HE ARG 8 HE ARG 8 -1.059 -6.166 1.554
70 HH11 ARG 8 1HH2 ARG 8 2.127 -6.237 2.903
71 HH12 ARG 8 2HH2 ARG 8 1.614 -6.865 4.434
72 HH21 ARG 8 1HH1 ARG 8 -1.738 -6.996 3.558
73 HH22 ARG 8 2HH1 ARG 8 -0.572 -7.296 4.803
74 H ARG 9 H ARG 9 1.264 -1.489 -1.409
75 HA ARG 9 HA ARG 9 -1.571 -0.792 -1.127
76 HB2 ARG 9 1HB ARG 9 0.730 -0.693 0.732
77 HB3 ARG 9 2HB ARG 9 -0.327 0.715 0.792
78 HG2 ARG 9 1HG ARG 9 -1.130 -2.181 1.202
79 HG3 ARG 9 2HG ARG 9 -1.041 -0.939 2.435
80 HD2 ARG 9 1HD ARG 9 -3.154 -1.450 0.423
81 HD3 ARG 9 2HD ARG 9 -3.284 -0.733 2.025
82 HE ARG 9 HE ARG 9 -1.958 1.021 0.182
83 HH11 ARG 9 1HH2 ARG 9 -5.016 -0.233 1.198
84 HH12 ARG 9 2HH2 ARG 9 -5.914 1.154 0.674
85 HH21 ARG 9 1HH1 ARG 9 -3.125 2.847 -0.499
86 HH22 ARG 9 2HH1 ARG 9 -4.843 2.898 -0.283
87 HA PRO 10 HA PRO 10 0.971 2.365 -3.659
88 HB2 PRO 10 1HB PRO 10 -0.107 1.863 -6.144
89 HB3 PRO 10 2HB PRO 10 1.338 1.030 -5.542
90 HG2 PRO 10 1HG PRO 10 -1.496 0.101 -5.573
91 HG3 PRO 10 2HG PRO 10 -0.011 -0.789 -5.963
92 HD2 PRO 10 1HD PRO 10 -1.248 -1.065 -3.572
93 HD3 PRO 10 2HD PRO 10 0.513 -1.141 -3.745
94 H TYR 11 H TYR 11 0.146 4.382 -4.295
95 HA TYR 11 HA TYR 11 -2.563 4.957 -3.487
96 HB2 TYR 11 1HB TYR 11 -0.403 6.670 -4.739
97 HB3 TYR 11 2HB TYR 11 -1.979 7.283 -4.238
98 HD1 TYR 11 HD1 TYR 11 1.174 5.722 -3.038
99 HD2 TYR 11 HD2 TYR 11 -2.513 7.628 -1.930
100 HE1 TYR 11 HE1 TYR 11 1.990 5.947 -0.707
101 HE2 TYR 11 HE2 TYR 11 -1.696 7.853 0.401
102 HH TYR 11 HH TYR 11 0.050 6.557 1.867
103 H ILE 12 H ILE 12 -1.164 3.735 -6.236
104 HA ILE 12 HA ILE 12 -2.572 5.036 -8.315
105 HB ILE 12 HB ILE 12 -1.586 2.177 -8.211
106 HG12 ILE 12 1HG1 ILE 12 0.235 3.677 -7.632
107 HG13 ILE 12 2HG1 ILE 12 0.467 3.114 -9.284
108 HG21 ILE 12 1HG2 ILE 12 -3.008 2.490 -10.114
109 HG22 ILE 12 2HG2 ILE 12 -1.351 2.589 -10.708
110 HG23 ILE 12 3HG2 ILE 12 -2.291 4.062 -10.471
111 HD11 ILE 12 3HD1 ILE 12 -0.380 5.834 -8.317
112 HD12 ILE 12 1HD1 ILE 12 -0.830 5.305 -9.937
113 HD13 ILE 12 2HD1 ILE 12 0.869 5.410 -9.486
114 H LEU 13 H LEU 13 -3.303 2.135 -6.391
115 HA LEU 13 HA LEU 13 -5.843 1.706 -7.712
116 HB2 LEU 13 1HB LEU 13 -4.461 0.462 -5.333
117 HB3 LEU 13 2HB LEU 13 -6.129 0.067 -5.723
118 HG LEU 13 HG LEU 13 -4.287 -1.481 -6.649
119 HD11 LEU 13 1HD1 LEU 13 -6.701 -1.367 -7.439
120 HD12 LEU 13 2HD1 LEU 13 -5.544 -1.971 -8.620
121 HD13 LEU 13 3HD1 LEU 13 -6.140 -0.320 -8.742
122 HD21 LEU 13 3HD2 LEU 13 -3.138 -0.803 -8.641
123 HD22 LEU 13 1HD2 LEU 13 -2.857 0.439 -7.427
124 HD23 LEU 13 2HD2 LEU 13 -4.026 0.717 -8.715
Start of MODEL 22
1 H1 GLU 1 1H GLU 1 -5.131 -3.835 6.937
2 H2 GLU 1 2H GLU 1 -4.887 -2.712 8.185
3 H3 GLU 1 3H GLU 1 -4.250 -4.283 8.316
4 HA GLU 1 HA GLU 1 -2.751 -3.880 6.488
5 HB2 GLU 1 1HB GLU 1 -2.627 -1.384 5.764
6 HB3 GLU 1 2HB GLU 1 -3.912 -2.382 5.083
7 HG2 GLU 1 1HG GLU 1 -4.325 -0.763 7.600
8 HG3 GLU 1 2HG GLU 1 -4.585 -0.074 5.999
9 H LEU 2 H LEU 2 -1.776 -4.382 8.635
10 HA LEU 2 HA LEU 2 -1.124 -2.307 10.478
11 HB2 LEU 2 1HB LEU 2 0.373 -4.898 10.007
12 HB3 LEU 2 2HB LEU 2 0.381 -3.919 11.473
13 HG LEU 2 HG LEU 2 -2.059 -5.295 10.311
14 HD11 LEU 2 1HD1 LEU 2 -1.843 -6.838 12.184
15 HD12 LEU 2 2HD1 LEU 2 -0.449 -5.950 12.798
16 HD13 LEU 2 3HD1 LEU 2 -0.332 -6.830 11.275
17 HD21 LEU 2 3HD2 LEU 2 -1.590 -3.504 12.699
18 HD22 LEU 2 1HD2 LEU 2 -2.884 -4.704 12.728
19 HD23 LEU 2 2HD2 LEU 2 -2.885 -3.437 11.502
20 H TYR 3 H TYR 3 0.576 -3.790 7.748
21 HA TYR 3 HA TYR 3 2.818 -1.915 8.011
22 HB2 TYR 3 1HB TYR 3 2.294 -4.259 6.172
23 HB3 TYR 3 2HB TYR 3 3.724 -3.231 6.064
24 HD1 TYR 3 HD2 TYR 3 5.373 -3.159 7.913
25 HD2 TYR 3 HD1 TYR 3 2.017 -5.844 7.977
26 HE1 TYR 3 HE2 TYR 3 6.462 -4.474 9.706
27 HE2 TYR 3 HE1 TYR 3 3.105 -7.158 9.778
28 HH TYR 3 HH TYR 3 6.386 -6.751 10.619
29 H GLU 4 H GLU 4 2.927 -0.072 6.876
30 HA GLU 4 HA GLU 4 0.951 0.404 4.731
31 HB2 GLU 4 1HB GLU 4 1.063 2.031 6.595
32 HB3 GLU 4 2HB GLU 4 2.750 2.354 6.195
33 HG2 GLU 4 1HG GLU 4 2.098 3.136 3.965
34 HG3 GLU 4 2HG GLU 4 0.413 2.751 4.305
35 H ASN 5 H ASN 5 2.127 -0.870 3.129
36 HA ASN 5 HA ASN 5 4.749 0.225 2.322
37 HB2 ASN 5 1HB ASN 5 3.310 -2.223 1.298
38 HB3 ASN 5 2HB ASN 5 4.980 -1.760 0.975
39 HD21 ASN 5 2HD2 ASN 5 3.321 -3.930 2.767
40 HD22 ASN 5 1HD2 ASN 5 4.338 -4.036 4.122
41 H LYS 6 H LYS 6 5.029 0.158 -0.188
42 HA LYS 6 HA LYS 6 2.959 1.936 -1.277
43 HB2 LYS 6 1HB LYS 6 5.861 1.469 -1.905
44 HB3 LYS 6 2HB LYS 6 4.823 2.338 -3.033
45 HG2 LYS 6 1HG LYS 6 5.912 3.952 -1.589
46 HG3 LYS 6 2HG LYS 6 4.200 3.902 -1.179
47 HD2 LYS 6 1HD LYS 6 4.588 2.677 0.804
48 HD3 LYS 6 2HD LYS 6 6.209 2.200 0.299
49 HE2 LYS 6 1HE LYS 6 7.045 4.429 0.602
50 HE3 LYS 6 2HE LYS 6 5.419 5.078 0.800
51 HZ1 LYS 6 3HZ LYS 6 7.131 3.886 2.736
52 HZ2 LYS 6 1HZ LYS 6 5.631 3.098 2.684
53 HZ3 LYS 6 2HZ LYS 6 5.701 4.774 2.963
54 HA PRO 7 HA PRO 7 3.042 -1.306 -4.743
55 HB2 PRO 7 1HB PRO 7 4.300 -3.595 -4.483
56 HB3 PRO 7 2HB PRO 7 5.236 -2.086 -4.552
57 HG2 PRO 7 1HG PRO 7 4.564 -3.785 -2.192
58 HG3 PRO 7 2HG PRO 7 6.057 -2.895 -2.544
59 HD2 PRO 7 1HD PRO 7 3.819 -1.980 -0.962
60 HD3 PRO 7 2HD PRO 7 5.265 -1.049 -1.432
61 H ARG 8 H ARG 8 2.277 -2.119 -1.583
62 HA ARG 8 HA ARG 8 0.316 -4.209 -2.307
63 HB2 ARG 8 1HB ARG 8 1.258 -5.157 -0.429
64 HB3 ARG 8 2HB ARG 8 1.969 -3.638 0.080
65 HG2 ARG 8 1HG ARG 8 -0.114 -2.914 1.087
66 HG3 ARG 8 2HG ARG 8 -0.967 -4.311 0.423
67 HD2 ARG 8 1HD ARG 8 1.360 -4.498 2.349
68 HD3 ARG 8 2HD ARG 8 -0.330 -4.540 2.844
69 HE ARG 8 HE ARG 8 0.024 -6.492 0.860
70 HH11 ARG 8 1HH2 ARG 8 1.095 -5.742 4.065
71 HH12 ARG 8 2HH2 ARG 8 1.285 -7.399 4.537
72 HH21 ARG 8 1HH1 ARG 8 0.276 -8.664 1.470
73 HH22 ARG 8 2HH1 ARG 8 0.825 -9.052 3.067
74 H ARG 9 H ARG 9 0.952 -1.104 -0.912
75 HA ARG 9 HA ARG 9 -1.900 -0.390 -1.030
76 HB2 ARG 9 1HB ARG 9 0.142 -0.103 1.066
77 HB3 ARG 9 2HB ARG 9 -0.783 1.370 0.787
78 HG2 ARG 9 1HG ARG 9 -2.857 0.267 1.257
79 HG3 ARG 9 2HG ARG 9 -2.103 -1.325 1.179
80 HD2 ARG 9 1HD ARG 9 -2.415 -0.788 3.504
81 HD3 ARG 9 2HD ARG 9 -0.692 -0.667 3.164
82 HE ARG 9 HE ARG 9 -0.822 1.617 3.586
83 HH11 ARG 9 1HH2 ARG 9 -3.966 0.251 3.113
84 HH12 ARG 9 2HH2 ARG 9 -4.812 1.683 3.594
85 HH21 ARG 9 1HH1 ARG 9 -1.925 3.500 4.219
86 HH22 ARG 9 2HH1 ARG 9 -3.656 3.523 4.220
87 HA PRO 10 HA PRO 10 0.900 2.422 -3.693
88 HB2 PRO 10 1HB PRO 10 -0.007 1.613 -6.177
89 HB3 PRO 10 2HB PRO 10 1.411 0.901 -5.387
90 HG2 PRO 10 1HG PRO 10 -1.386 -0.123 -5.521
91 HG3 PRO 10 2HG PRO 10 0.152 -1.004 -5.639
92 HD2 PRO 10 1HD PRO 10 -1.321 -0.984 -3.353
93 HD3 PRO 10 2HD PRO 10 0.447 -1.054 -3.347
94 H TYR 11 H TYR 11 0.132 4.298 -4.833
95 HA TYR 11 HA TYR 11 -2.598 5.012 -4.167
96 HB2 TYR 11 1HB TYR 11 -0.587 6.620 -5.759
97 HB3 TYR 11 2HB TYR 11 -2.006 7.220 -4.900
98 HD1 TYR 11 HD1 TYR 11 -2.081 7.126 -2.384
99 HD2 TYR 11 HD2 TYR 11 1.463 6.176 -4.620
100 HE1 TYR 11 HE1 TYR 11 -0.714 7.378 -0.329
101 HE2 TYR 11 HE2 TYR 11 2.826 6.429 -2.567
102 HH TYR 11 HH TYR 11 2.038 7.998 -0.019
103 H ILE 12 H ILE 12 -1.269 3.273 -6.599
104 HA ILE 12 HA ILE 12 -2.442 4.336 -8.941
105 HB ILE 12 HB ILE 12 -1.626 1.514 -8.208
106 HG12 ILE 12 1HG1 ILE 12 -0.314 3.511 -10.070
107 HG13 ILE 12 2HG1 ILE 12 0.110 3.379 -8.363
108 HG21 ILE 12 1HG2 ILE 12 -1.631 1.272 -10.781
109 HG22 ILE 12 2HG2 ILE 12 -2.674 2.695 -10.786
110 HG23 ILE 12 3HG2 ILE 12 -3.192 1.224 -9.965
111 HD11 ILE 12 3HD1 ILE 12 0.611 0.958 -8.719
112 HD12 ILE 12 1HD1 ILE 12 1.651 2.017 -9.670
113 HD13 ILE 12 2HD1 ILE 12 0.304 1.180 -10.442
114 H LEU 13 H LEU 13 -3.579 1.941 -6.582
115 HA LEU 13 HA LEU 13 -6.092 1.535 -7.952
116 HB2 LEU 13 1HB LEU 13 -5.247 0.722 -5.158
117 HB3 LEU 13 2HB LEU 13 -6.652 0.121 -6.039
118 HG LEU 13 HG LEU 13 -3.767 -0.206 -6.920
119 HD11 LEU 13 1HD1 LEU 13 -4.099 -1.636 -5.049
120 HD12 LEU 13 2HD1 LEU 13 -4.354 -2.664 -6.458
121 HD13 LEU 13 3HD1 LEU 13 -5.738 -2.048 -5.554
122 HD21 LEU 13 3HD2 LEU 13 -6.428 -0.931 -8.141
123 HD22 LEU 13 1HD2 LEU 13 -5.025 -1.954 -8.449
124 HD23 LEU 13 2HD2 LEU 13 -4.994 -0.258 -8.916
Start of MODEL 23
1 H1 GLU 1 1H GLU 1 -4.435 -3.364 7.578
2 H2 GLU 1 2H GLU 1 -4.636 -4.839 8.396
3 H3 GLU 1 3H GLU 1 -4.278 -4.828 6.736
4 HA GLU 1 HA GLU 1 -2.481 -5.003 8.818
5 HB2 GLU 1 1HB GLU 1 -2.315 -5.896 6.474
6 HB3 GLU 1 2HB GLU 1 -1.968 -4.258 5.920
7 HG2 GLU 1 1HG GLU 1 0.142 -5.368 6.218
8 HG3 GLU 1 2HG GLU 1 -0.026 -4.215 7.538
9 H LEU 2 H LEU 2 -1.553 -3.519 10.074
10 HA LEU 2 HA LEU 2 -1.893 -0.723 9.690
11 HB2 LEU 2 1HB LEU 2 -0.079 -2.322 11.500
12 HB3 LEU 2 2HB LEU 2 -0.155 -0.567 11.537
13 HG LEU 2 HG LEU 2 -2.601 -2.330 11.875
14 HD11 LEU 2 1HD1 LEU 2 -2.364 -1.994 14.284
15 HD12 LEU 2 2HD1 LEU 2 -0.897 -1.049 14.032
16 HD13 LEU 2 3HD1 LEU 2 -0.910 -2.771 13.655
17 HD21 LEU 2 3HD2 LEU 2 -3.301 -0.115 13.119
18 HD22 LEU 2 1HD2 LEU 2 -3.363 -0.165 11.362
19 HD23 LEU 2 2HD2 LEU 2 -2.009 0.619 12.172
20 H TYR 3 H TYR 3 0.747 -2.978 9.079
21 HA TYR 3 HA TYR 3 2.548 -0.897 8.161
22 HB2 TYR 3 1HB TYR 3 2.798 -3.907 7.945
23 HB3 TYR 3 2HB TYR 3 4.085 -2.727 7.707
24 HD1 TYR 3 HD2 TYR 3 4.965 -1.418 9.626
25 HD2 TYR 3 HD1 TYR 3 2.012 -4.489 10.140
26 HE1 TYR 3 HE2 TYR 3 5.435 -1.463 12.063
27 HE2 TYR 3 HE1 TYR 3 2.488 -4.550 12.568
28 HH TYR 3 HH TYR 3 3.423 -3.028 14.301
29 H GLU 4 H GLU 4 1.399 0.040 6.430
30 HA GLU 4 HA GLU 4 0.713 -1.624 4.118
31 HB2 GLU 4 1HB GLU 4 0.014 0.650 3.174
32 HB3 GLU 4 2HB GLU 4 -0.901 0.062 4.560
33 HG2 GLU 4 1HG GLU 4 0.355 1.477 6.068
34 HG3 GLU 4 2HG GLU 4 1.451 1.960 4.775
35 H ASN 5 H ASN 5 1.919 -1.732 2.255
36 HA ASN 5 HA ASN 5 4.482 -0.254 2.268
37 HB2 ASN 5 1HB ASN 5 3.616 -2.720 0.750
38 HB3 ASN 5 2HB ASN 5 5.144 -1.884 0.487
39 HD21 ASN 5 2HD2 ASN 5 4.952 -4.603 1.500
40 HD22 ASN 5 1HD2 ASN 5 5.574 -4.596 3.078
41 H LYS 6 H LYS 6 5.133 -0.196 -0.360
42 HA LYS 6 HA LYS 6 3.383 1.925 -1.327
43 HB2 LYS 6 1HB LYS 6 5.937 1.069 -2.648
44 HB3 LYS 6 2HB LYS 6 5.194 2.669 -2.574
45 HG2 LYS 6 1HG LYS 6 5.519 2.340 0.052
46 HG3 LYS 6 2HG LYS 6 6.772 1.211 -0.467
47 HD2 LYS 6 1HD LYS 6 6.555 4.107 -1.325
48 HD3 LYS 6 2HD LYS 6 7.667 3.488 -0.105
49 HE2 LYS 6 1HE LYS 6 8.563 1.911 -1.890
50 HE3 LYS 6 2HE LYS 6 7.633 2.846 -3.062
51 HZ1 LYS 6 3HZ LYS 6 10.032 3.531 -2.682
52 HZ2 LYS 6 1HZ LYS 6 9.516 4.135 -1.183
53 HZ3 LYS 6 2HZ LYS 6 8.862 4.761 -2.621
54 HA PRO 7 HA PRO 7 2.900 -1.022 -5.005
55 HB2 PRO 7 1HB PRO 7 4.130 -3.365 -5.084
56 HB3 PRO 7 2HB PRO 7 5.066 -1.862 -5.218
57 HG2 PRO 7 1HG PRO 7 4.862 -3.746 -2.936
58 HG3 PRO 7 2HG PRO 7 6.191 -2.665 -3.389
59 HD2 PRO 7 1HD PRO 7 4.032 -2.158 -1.481
60 HD3 PRO 7 2HD PRO 7 5.430 -1.119 -1.871
61 H ARG 8 H ARG 8 2.351 -1.818 -1.890
62 HA ARG 8 HA ARG 8 0.472 -4.026 -2.346
63 HB2 ARG 8 1HB ARG 8 2.032 -4.174 -0.399
64 HB3 ARG 8 2HB ARG 8 1.411 -2.628 0.181
65 HG2 ARG 8 1HG ARG 8 -0.829 -3.577 0.371
66 HG3 ARG 8 2HG ARG 8 -0.231 -5.133 -0.200
67 HD2 ARG 8 1HD ARG 8 1.354 -5.158 1.740
68 HD3 ARG 8 2HD ARG 8 0.599 -3.673 2.318
69 HE ARG 8 HE ARG 8 -1.286 -4.913 2.955
70 HH11 ARG 8 1HH2 ARG 8 0.946 -6.807 1.103
71 HH12 ARG 8 2HH2 ARG 8 0.186 -8.317 1.480
72 HH21 ARG 8 1HH1 ARG 8 -2.296 -6.884 3.432
73 HH22 ARG 8 2HH1 ARG 8 -1.669 -8.357 2.773
74 H ARG 9 H ARG 9 0.901 -0.794 -1.073
75 HA ARG 9 HA ARG 9 -1.953 -0.203 -1.460
76 HB2 ARG 9 1HB ARG 9 -0.040 0.393 0.745
77 HB3 ARG 9 2HB ARG 9 -1.349 1.537 0.446
78 HG2 ARG 9 1HG ARG 9 -1.949 -1.415 0.673
79 HG3 ARG 9 2HG ARG 9 -1.720 -0.461 2.133
80 HD2 ARG 9 1HD ARG 9 -3.763 0.046 -0.047
81 HD3 ARG 9 2HD ARG 9 -4.087 -0.526 1.585
82 HE ARG 9 HE ARG 9 -3.483 2.206 0.789
83 HH11 ARG 9 1HH2 ARG 9 -3.719 -0.143 3.328
84 HH12 ARG 9 2HH2 ARG 9 -3.812 1.039 4.591
85 HH21 ARG 9 1HH1 ARG 9 -3.631 3.750 2.442
86 HH22 ARG 9 2HH1 ARG 9 -3.775 3.238 4.090
87 HA PRO 10 HA PRO 10 1.003 2.738 -3.817
88 HB2 PRO 10 1HB PRO 10 0.192 1.988 -6.378
89 HB3 PRO 10 2HB PRO 10 1.630 1.348 -5.558
90 HG2 PRO 10 1HG PRO 10 -1.071 0.134 -5.862
91 HG3 PRO 10 2HG PRO 10 0.527 -0.636 -5.861
92 HD2 PRO 10 1HD PRO 10 -1.134 -0.725 -3.699
93 HD3 PRO 10 2HD PRO 10 0.629 -0.716 -3.551
94 H TYR 11 H TYR 11 0.318 4.639 -4.937
95 HA TYR 11 HA TYR 11 -2.205 5.629 -4.222
96 HB2 TYR 11 1HB TYR 11 -0.169 6.991 -4.795
97 HB3 TYR 11 2HB TYR 11 -0.472 6.625 -6.493
98 HD1 TYR 11 HD2 TYR 11 -1.760 8.356 -3.494
99 HD2 TYR 11 HD1 TYR 11 -2.327 7.626 -7.689
100 HE1 TYR 11 HE2 TYR 11 -3.415 10.200 -3.591
101 HE2 TYR 11 HE1 TYR 11 -3.988 9.468 -7.786
102 HH TYR 11 HH TYR 11 -5.311 10.888 -4.983
103 H ILE 12 H ILE 12 -1.176 3.763 -6.951
104 HA ILE 12 HA ILE 12 -3.244 4.408 -8.771
105 HB ILE 12 HB ILE 12 -1.599 1.886 -8.419
106 HG12 ILE 12 1HG1 ILE 12 -1.433 4.050 -10.533
107 HG13 ILE 12 2HG1 ILE 12 -0.492 4.106 -9.042
108 HG21 ILE 12 1HG2 ILE 12 -3.573 2.719 -10.560
109 HG22 ILE 12 2HG2 ILE 12 -3.588 1.239 -9.602
110 HG23 ILE 12 3HG2 ILE 12 -2.345 1.484 -10.829
111 HD11 ILE 12 3HD1 ILE 12 -0.444 1.769 -10.972
112 HD12 ILE 12 1HD1 ILE 12 0.610 2.024 -9.581
113 HD13 ILE 12 2HD1 ILE 12 0.737 3.080 -10.987
114 H LEU 13 H LEU 13 -2.950 1.973 -6.226
115 HA LEU 13 HA LEU 13 -5.573 0.861 -6.684
116 HB2 LEU 13 1HB LEU 13 -3.311 0.448 -4.776
117 HB3 LEU 13 2HB LEU 13 -4.899 -0.082 -4.242
118 HG LEU 13 HG LEU 13 -3.416 -1.806 -5.445
119 HD11 LEU 13 1HD1 LEU 13 -5.938 -1.952 -5.077
120 HD12 LEU 13 2HD1 LEU 13 -5.292 -2.911 -6.404
121 HD13 LEU 13 3HD1 LEU 13 -6.118 -1.392 -6.740
122 HD21 LEU 13 3HD2 LEU 13 -2.919 -0.012 -7.313
123 HD22 LEU 13 1HD2 LEU 13 -4.427 -0.600 -8.013
124 HD23 LEU 13 2HD2 LEU 13 -3.086 -1.709 -7.745
Start of MODEL 24
1 H1 GLU 1 1H GLU 1 -0.622 -7.837 8.064
2 H2 GLU 1 2H GLU 1 -1.666 -6.820 8.936
3 H3 GLU 1 3H GLU 1 -0.198 -7.329 9.625
4 HA GLU 1 HA GLU 1 1.071 -5.916 8.390
5 HB2 GLU 1 1HB GLU 1 0.019 -4.848 6.267
6 HB3 GLU 1 2HB GLU 1 0.499 -6.543 6.190
7 HG2 GLU 1 1HG GLU 1 -1.767 -7.283 6.532
8 HG3 GLU 1 2HG GLU 1 -2.306 -5.645 6.895
9 H LEU 2 H LEU 2 0.605 -4.806 10.406
10 HA LEU 2 HA LEU 2 -1.623 -3.057 10.698
11 HB2 LEU 2 1HB LEU 2 1.087 -3.121 12.045
12 HB3 LEU 2 2HB LEU 2 -0.201 -2.010 12.506
13 HG LEU 2 HG LEU 2 -0.536 -5.025 12.428
14 HD11 LEU 2 1HD1 LEU 2 -0.061 -3.276 14.858
15 HD12 LEU 2 2HD1 LEU 2 1.189 -4.258 14.092
16 HD13 LEU 2 3HD1 LEU 2 -0.216 -5.033 14.823
17 HD21 LEU 2 3HD2 LEU 2 -2.421 -4.224 14.135
18 HD22 LEU 2 1HD2 LEU 2 -2.707 -4.171 12.399
19 HD23 LEU 2 2HD2 LEU 2 -2.264 -2.701 13.263
20 H TYR 3 H TYR 3 1.686 -2.641 9.534
21 HA TYR 3 HA TYR 3 1.220 0.180 8.908
22 HB2 TYR 3 1HB TYR 3 3.626 -1.632 8.621
23 HB3 TYR 3 2HB TYR 3 3.595 0.039 8.052
24 HD1 TYR 3 HD1 TYR 3 3.455 1.909 9.620
25 HD2 TYR 3 HD2 TYR 3 3.583 -2.152 11.012
26 HE1 TYR 3 HE1 TYR 3 3.943 2.712 11.914
27 HE2 TYR 3 HE2 TYR 3 4.073 -1.348 13.308
28 HH TYR 3 HH TYR 3 4.385 0.419 14.612
29 H GLU 4 H GLU 4 0.897 0.974 6.883
30 HA GLU 4 HA GLU 4 0.173 -0.955 4.812
31 HB2 GLU 4 1HB GLU 4 -0.812 0.927 3.681
32 HB3 GLU 4 2HB GLU 4 -1.268 1.012 5.380
33 HG2 GLU 4 1HG GLU 4 0.684 2.581 5.733
34 HG3 GLU 4 2HG GLU 4 0.892 2.617 3.982
35 H ASN 5 H ASN 5 1.280 -1.322 2.960
36 HA ASN 5 HA ASN 5 3.902 -0.003 2.673
37 HB2 ASN 5 1HB ASN 5 2.782 -2.597 1.617
38 HB3 ASN 5 2HB ASN 5 4.318 -1.920 1.065
39 HD21 ASN 5 2HD2 ASN 5 4.225 -4.415 2.462
40 HD22 ASN 5 1HD2 ASN 5 4.968 -4.202 3.974
41 H LYS 6 H LYS 6 4.425 -0.414 0.018
42 HA LYS 6 HA LYS 6 2.821 1.700 -1.211
43 HB2 LYS 6 1HB LYS 6 5.483 0.441 -1.812
44 HB3 LYS 6 2HB LYS 6 4.691 1.480 -2.996
45 HG2 LYS 6 1HG LYS 6 6.223 2.799 -1.613
46 HG3 LYS 6 2HG LYS 6 4.558 3.289 -1.306
47 HD2 LYS 6 1HD LYS 6 4.485 2.148 0.773
48 HD3 LYS 6 2HD LYS 6 5.931 1.207 0.400
49 HE2 LYS 6 1HE LYS 6 6.005 4.221 0.612
50 HE3 LYS 6 2HE LYS 6 6.216 3.184 2.023
51 HZ1 LYS 6 3HZ LYS 6 7.884 2.047 0.272
52 HZ2 LYS 6 1HZ LYS 6 8.353 3.221 1.401
53 HZ3 LYS 6 2HZ LYS 6 8.003 3.676 -0.197
54 HA PRO 7 HA PRO 7 2.036 -1.712 -4.432
55 HB2 PRO 7 1HB PRO 7 2.618 -4.249 -3.921
56 HB3 PRO 7 2HB PRO 7 3.913 -3.086 -4.273
57 HG2 PRO 7 1HG PRO 7 3.106 -4.275 -1.672
58 HG3 PRO 7 2HG PRO 7 4.710 -3.765 -2.228
59 HD2 PRO 7 1HD PRO 7 2.839 -2.233 -0.637
60 HD3 PRO 7 2HD PRO 7 4.423 -1.699 -1.259
61 H ARG 8 H ARG 8 1.223 -1.711 -1.281
62 HA ARG 8 HA ARG 8 -1.190 -3.360 -1.478
63 HB2 ARG 8 1HB ARG 8 0.556 -3.223 0.537
64 HB3 ARG 8 2HB ARG 8 -0.347 -1.770 0.950
65 HG2 ARG 8 1HG ARG 8 -1.572 -4.496 0.508
66 HG3 ARG 8 2HG ARG 8 -1.198 -3.810 2.083
67 HD2 ARG 8 1HD ARG 8 -3.430 -3.197 1.894
68 HD3 ARG 8 2HD ARG 8 -2.663 -1.783 1.183
69 HE ARG 8 HE ARG 8 -3.126 -3.669 -0.860
70 HH11 ARG 8 1HH2 ARG 8 -4.813 -1.607 1.348
71 HH12 ARG 8 2HH2 ARG 8 -6.200 -1.415 0.326
72 HH21 ARG 8 1HH1 ARG 8 -4.944 -3.421 -2.207
73 HH22 ARG 8 2HH1 ARG 8 -6.272 -2.441 -1.684
74 H ARG 9 H ARG 9 0.108 -0.153 -0.874
75 HA ARG 9 HA ARG 9 -2.475 1.087 -1.568
76 HB2 ARG 9 1HB ARG 9 -0.341 2.068 0.308
77 HB3 ARG 9 2HB ARG 9 -1.809 2.956 -0.102
78 HG2 ARG 9 1HG ARG 9 -1.624 0.302 1.352
79 HG3 ARG 9 2HG ARG 9 -2.137 1.843 2.030
80 HD2 ARG 9 1HD ARG 9 -3.612 0.036 0.138
81 HD3 ARG 9 2HD ARG 9 -4.182 0.799 1.616
82 HE ARG 9 HE ARG 9 -4.237 1.938 -1.021
83 HH11 ARG 9 1HH2 ARG 9 -3.894 2.614 2.355
84 HH12 ARG 9 2HH2 ARG 9 -4.559 4.210 2.244
85 HH21 ARG 9 1HH1 ARG 9 -5.111 4.028 -1.175
86 HH22 ARG 9 2HH1 ARG 9 -5.247 5.013 0.242
87 HA PRO 10 HA PRO 10 1.160 2.556 -4.297
88 HB2 PRO 10 1HB PRO 10 0.342 1.382 -6.676
89 HB3 PRO 10 2HB PRO 10 1.510 0.648 -5.561
90 HG2 PRO 10 1HG PRO 10 -1.403 0.098 -5.883
91 HG3 PRO 10 2HG PRO 10 -0.068 -1.025 -5.557
92 HD2 PRO 10 1HD PRO 10 -1.765 -0.187 -3.597
93 HD3 PRO 10 2HD PRO 10 -0.065 -0.561 -3.287
94 H TYR 11 H TYR 11 0.973 4.169 -5.975
95 HA TYR 11 HA TYR 11 -1.414 5.732 -5.818
96 HB2 TYR 11 1HB TYR 11 -0.289 7.239 -7.363
97 HB3 TYR 11 2HB TYR 11 0.850 6.712 -6.125
98 HD1 TYR 11 HD2 TYR 11 2.599 5.053 -6.640
99 HD2 TYR 11 HD1 TYR 11 -0.066 6.520 -9.671
100 HE1 TYR 11 HE2 TYR 11 4.093 4.139 -8.396
101 HE2 TYR 11 HE1 TYR 11 1.428 5.607 -11.427
102 HH TYR 11 HH TYR 11 4.583 4.603 -10.815
103 H ILE 12 H ILE 12 -0.624 3.020 -7.608
104 HA ILE 12 HA ILE 12 -1.801 3.598 -10.121
105 HB ILE 12 HB ILE 12 -1.529 0.929 -8.718
106 HG12 ILE 12 1HG1 ILE 12 0.308 2.257 -10.735
107 HG13 ILE 12 2HG1 ILE 12 0.596 2.265 -8.994
108 HG21 ILE 12 1HG2 ILE 12 -1.518 0.106 -11.114
109 HG22 ILE 12 2HG2 ILE 12 -2.007 1.728 -11.603
110 HG23 ILE 12 3HG2 ILE 12 -3.063 0.761 -10.575
111 HD11 ILE 12 3HD1 ILE 12 1.828 0.431 -10.138
112 HD12 ILE 12 1HD1 ILE 12 0.289 -0.234 -10.682
113 HD13 ILE 12 2HD1 ILE 12 0.666 -0.179 -8.960
114 H LEU 13 H LEU 13 -3.125 2.767 -7.020
115 HA LEU 13 HA LEU 13 -5.706 1.947 -8.029
116 HB2 LEU 13 1HB LEU 13 -4.864 2.759 -5.234
117 HB3 LEU 13 2HB LEU 13 -6.382 1.976 -5.667
118 HG LEU 13 HG LEU 13 -3.629 0.787 -6.135
119 HD11 LEU 13 1HD1 LEU 13 -5.736 0.199 -4.034
120 HD12 LEU 13 2HD1 LEU 13 -4.150 0.913 -3.747
121 HD13 LEU 13 3HD1 LEU 13 -4.279 -0.759 -4.293
122 HD21 LEU 13 3HD2 LEU 13 -5.018 -0.235 -7.731
123 HD22 LEU 13 1HD2 LEU 13 -6.451 -0.122 -6.706
124 HD23 LEU 13 2HD2 LEU 13 -5.203 -1.319 -6.357
Start of MODEL 25
1 H1 GLU 1 1H GLU 1 -2.823 -5.852 9.830
2 H2 GLU 1 2H GLU 1 -2.877 -6.187 8.165
3 H3 GLU 1 3H GLU 1 -3.457 -4.704 8.755
4 HA GLU 1 HA GLU 1 -0.685 -5.378 9.350
5 HB2 GLU 1 1HB GLU 1 -0.147 -4.269 7.045
6 HB3 GLU 1 2HB GLU 1 -0.566 -5.983 7.080
7 HG2 GLU 1 1HG GLU 1 -2.866 -5.485 6.460
8 HG3 GLU 1 2HG GLU 1 -2.550 -3.756 6.559
9 H LEU 2 H LEU 2 -0.233 -3.782 10.702
10 HA LEU 2 HA LEU 2 -1.672 -1.330 10.813
11 HB2 LEU 2 1HB LEU 2 0.970 -2.170 12.037
12 HB3 LEU 2 2HB LEU 2 0.167 -0.642 12.384
13 HG LEU 2 HG LEU 2 -1.902 -2.046 13.001
14 HD11 LEU 2 1HD1 LEU 2 0.204 -4.196 12.763
15 HD12 LEU 2 2HD1 LEU 2 -1.460 -4.205 12.183
16 HD13 LEU 2 3HD1 LEU 2 -1.129 -4.366 13.903
17 HD21 LEU 2 3HD2 LEU 2 0.665 -1.986 14.591
18 HD22 LEU 2 1HD2 LEU 2 -0.815 -2.661 15.272
19 HD23 LEU 2 2HD2 LEU 2 -0.765 -0.970 14.775
20 H TYR 3 H TYR 3 1.455 -2.280 9.471
21 HA TYR 3 HA TYR 3 1.949 0.415 8.437
22 HB2 TYR 3 1HB TYR 3 3.799 -0.932 9.410
23 HB3 TYR 3 2HB TYR 3 3.572 -2.126 8.131
24 HD1 TYR 3 HD2 TYR 3 4.430 1.436 8.793
25 HD2 TYR 3 HD1 TYR 3 4.454 -1.777 5.943
26 HE1 TYR 3 HE2 TYR 3 5.864 2.784 7.283
27 HE2 TYR 3 HE1 TYR 3 5.889 -0.430 4.433
28 HH TYR 3 HH TYR 3 7.171 2.712 5.449
29 H GLU 4 H GLU 4 1.411 1.025 6.431
30 HA GLU 4 HA GLU 4 0.090 -0.851 4.663
31 HB2 GLU 4 1HB GLU 4 0.757 2.091 4.389
32 HB3 GLU 4 2HB GLU 4 -0.156 1.168 3.198
33 HG2 GLU 4 1HG GLU 4 -1.867 0.645 4.870
34 HG3 GLU 4 2HG GLU 4 -0.933 1.480 6.111
35 H ASN 5 H ASN 5 0.777 -1.463 2.574
36 HA ASN 5 HA ASN 5 3.680 -1.465 2.222
37 HB2 ASN 5 1HB ASN 5 1.392 -2.900 0.896
38 HB3 ASN 5 2HB ASN 5 3.074 -3.085 0.399
39 HD21 ASN 5 2HD2 ASN 5 0.697 -4.188 2.625
40 HD22 ASN 5 1HD2 ASN 5 1.734 -5.080 3.631
41 H LYS 6 H LYS 6 4.498 -1.095 -0.067
42 HA LYS 6 HA LYS 6 3.326 1.411 -1.054
43 HB2 LYS 6 1HB LYS 6 5.958 0.315 -1.976
44 HB3 LYS 6 2HB LYS 6 5.429 1.989 -1.821
45 HG2 LYS 6 1HG LYS 6 5.204 1.338 0.756
46 HG3 LYS 6 2HG LYS 6 6.367 0.087 0.313
47 HD2 LYS 6 1HD LYS 6 7.837 1.858 -0.647
48 HD3 LYS 6 2HD LYS 6 6.692 3.070 -0.068
49 HE2 LYS 6 1HE LYS 6 7.010 2.268 2.246
50 HE3 LYS 6 2HE LYS 6 8.165 1.067 1.669
51 HZ1 LYS 6 3HZ LYS 6 9.508 2.812 2.312
52 HZ2 LYS 6 1HZ LYS 6 8.432 4.001 1.759
53 HZ3 LYS 6 2HZ LYS 6 9.340 3.095 0.646
54 HA PRO 7 HA PRO 7 3.277 -0.971 -5.116
55 HB2 PRO 7 1HB PRO 7 4.339 -3.421 -5.334
56 HB3 PRO 7 2HB PRO 7 5.357 -1.977 -5.171
57 HG2 PRO 7 1HG PRO 7 4.856 -4.121 -3.217
58 HG3 PRO 7 2HG PRO 7 6.177 -2.940 -3.272
59 HD2 PRO 7 1HD PRO 7 3.646 -2.794 -1.763
60 HD3 PRO 7 2HD PRO 7 5.098 -1.788 -1.595
61 H ARG 8 H ARG 8 2.121 -2.303 -2.343
62 HA ARG 8 HA ARG 8 0.104 -4.030 -3.640
63 HB2 ARG 8 1HB ARG 8 0.846 -5.390 -1.922
64 HB3 ARG 8 2HB ARG 8 1.502 -4.040 -1.016
65 HG2 ARG 8 1HG ARG 8 -0.694 -3.456 -0.163
66 HG3 ARG 8 2HG ARG 8 -1.460 -4.661 -1.204
67 HD2 ARG 8 1HD ARG 8 0.592 -5.310 0.923
68 HD3 ARG 8 2HD ARG 8 -1.147 -5.398 1.182
69 HE ARG 8 HE ARG 8 -0.640 -6.929 -1.075
70 HH11 ARG 8 1HH2 ARG 8 0.332 -6.830 2.244
71 HH12 ARG 8 2HH2 ARG 8 0.569 -8.542 2.370
72 HH21 ARG 8 1HH1 ARG 8 -0.333 -9.177 -0.916
73 HH22 ARG 8 2HH1 ARG 8 0.193 -9.870 0.583
74 H ARG 9 H ARG 9 0.854 -1.338 -1.578
75 HA ARG 9 HA ARG 9 -1.885 -0.309 -1.860
76 HB2 ARG 9 1HB ARG 9 -0.221 -0.761 0.497
77 HB3 ARG 9 2HB ARG 9 -0.809 0.899 0.429
78 HG2 ARG 9 1HG ARG 9 -3.107 0.156 0.290
79 HG3 ARG 9 2HG ARG 9 -2.603 -1.520 0.074
80 HD2 ARG 9 1HD ARG 9 -1.603 -1.495 2.341
81 HD3 ARG 9 2HD ARG 9 -2.151 0.164 2.553
82 HE ARG 9 HE ARG 9 -4.447 -1.139 1.933
83 HH11 ARG 9 1HH2 ARG 9 -1.883 -1.709 4.187
84 HH12 ARG 9 2HH2 ARG 9 -2.895 -2.502 5.345
85 HH21 ARG 9 1HH1 ARG 9 -5.777 -2.184 3.449
86 HH22 ARG 9 2HH1 ARG 9 -5.096 -2.774 4.928
87 HA PRO 10 HA PRO 10 1.464 2.661 -3.516
88 HB2 PRO 10 1HB PRO 10 0.825 2.457 -6.202
89 HB3 PRO 10 2HB PRO 10 2.070 1.469 -5.422
90 HG2 PRO 10 1HG PRO 10 -0.750 0.777 -6.090
91 HG3 PRO 10 2HG PRO 10 0.716 -0.214 -6.206
92 HD2 PRO 10 1HD PRO 10 -1.054 -0.480 -4.164
93 HD3 PRO 10 2HD PRO 10 0.683 -0.749 -3.965
94 H TYR 11 H TYR 11 -1.912 2.132 -3.730
95 HA TYR 11 HA TYR 11 -3.733 3.512 -3.919
96 HB2 TYR 11 1HB TYR 11 -1.691 5.628 -3.185
97 HB3 TYR 11 2HB TYR 11 -3.437 5.864 -3.194
98 HD1 TYR 11 HD2 TYR 11 -4.885 4.406 -1.696
99 HD2 TYR 11 HD1 TYR 11 -0.606 4.582 -1.344
100 HE1 TYR 11 HE2 TYR 11 -5.032 3.444 0.585
101 HE2 TYR 11 HE1 TYR 11 -0.755 3.620 0.936
102 HH TYR 11 HH TYR 11 -3.631 2.222 2.156
103 H ILE 12 H ILE 12 -1.521 3.230 -6.123
104 HA ILE 12 HA ILE 12 -1.769 5.530 -7.772
105 HB ILE 12 HB ILE 12 0.042 3.776 -7.918
106 HG12 ILE 12 1HG1 ILE 12 -1.437 4.217 -10.526
107 HG13 ILE 12 2HG1 ILE 12 -0.504 5.482 -9.726
108 HG21 ILE 12 1HG2 ILE 12 -1.902 2.197 -9.592
109 HG22 ILE 12 2HG2 ILE 12 -1.749 1.897 -7.861
110 HG23 ILE 12 3HG2 ILE 12 -0.354 1.691 -8.914
111 HD11 ILE 12 3HD1 ILE 12 1.521 4.110 -9.851
112 HD12 ILE 12 1HD1 ILE 12 0.825 4.296 -11.462
113 HD13 ILE 12 2HD1 ILE 12 0.602 2.789 -10.574
114 H LEU 13 H LEU 13 -3.562 2.499 -7.509
115 HA LEU 13 HA LEU 13 -5.222 3.036 -9.813
116 HB2 LEU 13 1HB LEU 13 -5.616 1.043 -7.563
117 HB3 LEU 13 2HB LEU 13 -6.482 1.059 -9.099
118 HG LEU 13 HG LEU 13 -3.487 0.692 -8.784
119 HD11 LEU 13 1HD1 LEU 13 -4.476 -1.314 -8.026
120 HD12 LEU 13 2HD1 LEU 13 -4.134 -1.628 -9.727
121 HD13 LEU 13 3HD1 LEU 13 -5.776 -1.229 -9.216
122 HD21 LEU 13 3HD2 LEU 13 -5.337 0.888 -11.161
123 HD22 LEU 13 1HD2 LEU 13 -3.864 -0.076 -11.270
124 HD23 LEU 13 2HD2 LEU 13 -3.763 1.646 -10.922
Start of MODEL 26
1 H1 GLU 1 1H GLU 1 -2.846 -6.068 7.832
2 H2 GLU 1 2H GLU 1 -2.795 -4.376 7.677
3 H3 GLU 1 3H GLU 1 -3.660 -5.091 8.954
4 HA GLU 1 HA GLU 1 -1.778 -5.661 10.125
5 HB2 GLU 1 1HB GLU 1 -0.720 -6.790 8.162
6 HB3 GLU 1 2HB GLU 1 -0.197 -5.212 7.573
7 HG2 GLU 1 1HG GLU 1 1.105 -4.856 9.619
8 HG3 GLU 1 2HG GLU 1 0.544 -6.396 10.265
9 H LEU 2 H LEU 2 -0.332 -4.212 11.216
10 HA LEU 2 HA LEU 2 -1.092 -1.482 11.047
11 HB2 LEU 2 1HB LEU 2 1.176 -2.847 12.509
12 HB3 LEU 2 2HB LEU 2 0.772 -1.142 12.703
13 HG LEU 2 HG LEU 2 -1.172 -3.422 13.183
14 HD11 LEU 2 1HD1 LEU 2 -0.827 -2.815 15.607
15 HD12 LEU 2 2HD1 LEU 2 0.536 -1.816 15.102
16 HD13 LEU 2 3HD1 LEU 2 0.576 -3.561 14.841
17 HD21 LEU 2 3HD2 LEU 2 -2.548 -1.577 12.831
18 HD22 LEU 2 1HD2 LEU 2 -1.333 -0.423 13.376
19 HD23 LEU 2 2HD2 LEU 2 -2.230 -1.381 14.549
20 H TYR 3 H TYR 3 1.794 -3.248 9.987
21 HA TYR 3 HA TYR 3 2.980 -0.809 8.886
22 HB2 TYR 3 1HB TYR 3 3.951 -3.679 8.853
23 HB3 TYR 3 2HB TYR 3 4.870 -2.273 8.312
24 HD1 TYR 3 HD2 TYR 3 5.399 -0.430 9.977
25 HD2 TYR 3 HD1 TYR 3 3.830 -4.251 11.157
26 HE1 TYR 3 HE2 TYR 3 6.142 -0.017 12.307
27 HE2 TYR 3 HE1 TYR 3 4.571 -3.838 13.485
28 HH TYR 3 HH TYR 3 5.045 -1.444 14.864
29 H GLU 4 H GLU 4 1.610 -0.250 7.193
30 HA GLU 4 HA GLU 4 1.050 -2.211 5.088
31 HB2 GLU 4 1HB GLU 4 0.206 0.669 5.489
32 HB3 GLU 4 2HB GLU 4 -0.246 -0.308 4.090
33 HG2 GLU 4 1HG GLU 4 -1.344 -1.939 5.545
34 HG3 GLU 4 2HG GLU 4 -0.837 -1.039 6.973
35 H ASN 5 H ASN 5 1.906 -2.135 3.041
36 HA ASN 5 HA ASN 5 4.292 -0.448 2.699
37 HB2 ASN 5 1HB ASN 5 3.298 -2.876 1.193
38 HB3 ASN 5 2HB ASN 5 4.778 -1.993 0.811
39 HD21 ASN 5 2HD2 ASN 5 5.438 -1.448 3.658
40 HD22 ASN 5 1HD2 ASN 5 5.940 -2.933 4.309
41 H LYS 6 H LYS 6 4.576 -0.067 0.088
42 HA LYS 6 HA LYS 6 2.360 1.745 -0.575
43 HB2 LYS 6 1HB LYS 6 5.155 1.585 -1.700
44 HB3 LYS 6 2HB LYS 6 3.964 2.827 -2.070
45 HG2 LYS 6 1HG LYS 6 4.673 2.307 0.813
46 HG3 LYS 6 2HG LYS 6 5.790 3.236 -0.181
47 HD2 LYS 6 1HD LYS 6 2.870 3.980 -0.204
48 HD3 LYS 6 2HD LYS 6 3.863 4.465 1.167
49 HE2 LYS 6 1HE LYS 6 4.520 5.066 -1.734
50 HE3 LYS 6 2HE LYS 6 3.786 6.208 -0.610
51 HZ1 LYS 6 3HZ LYS 6 6.434 5.894 -0.979
52 HZ2 LYS 6 1HZ LYS 6 6.165 4.932 0.392
53 HZ3 LYS 6 2HZ LYS 6 5.723 6.573 0.407
54 HA PRO 7 HA PRO 7 2.565 -0.797 -4.597
55 HB2 PRO 7 1HB PRO 7 3.601 -3.228 -4.619
56 HB3 PRO 7 2HB PRO 7 4.665 -1.808 -4.515
57 HG2 PRO 7 1HG PRO 7 3.837 -3.704 -2.371
58 HG3 PRO 7 2HG PRO 7 5.396 -2.896 -2.617
59 HD2 PRO 7 1HD PRO 7 3.266 -2.008 -0.913
60 HD3 PRO 7 2HD PRO 7 4.744 -1.108 -1.337
61 H ARG 8 H ARG 8 1.309 -1.540 -1.717
62 HA ARG 8 HA ARG 8 -0.569 -3.605 -2.700
63 HB2 ARG 8 1HB ARG 8 -1.207 -3.899 -0.350
64 HB3 ARG 8 2HB ARG 8 0.531 -4.117 -0.534
65 HG2 ARG 8 1HG ARG 8 0.906 -1.799 0.237
66 HG3 ARG 8 2HG ARG 8 -0.834 -1.583 0.429
67 HD2 ARG 8 1HD ARG 8 0.139 -2.143 2.589
68 HD3 ARG 8 2HD ARG 8 -0.871 -3.477 2.036
69 HE ARG 8 HE ARG 8 1.806 -3.889 1.190
70 HH11 ARG 8 1HH2 ARG 8 -0.223 -3.873 3.997
71 HH12 ARG 8 2HH2 ARG 8 0.736 -5.027 4.863
72 HH21 ARG 8 1HH1 ARG 8 3.065 -5.401 2.322
73 HH22 ARG 8 2HH1 ARG 8 2.594 -5.896 3.913
74 H ARG 9 H ARG 9 -0.177 -0.392 -1.359
75 HA ARG 9 HA ARG 9 -2.931 0.283 -2.169
76 HB2 ARG 9 1HB ARG 9 -2.981 1.892 -0.334
77 HB3 ARG 9 2HB ARG 9 -2.690 0.258 0.256
78 HG2 ARG 9 1HG ARG 9 -0.220 0.783 0.157
79 HG3 ARG 9 2HG ARG 9 -0.663 2.467 -0.104
80 HD2 ARG 9 1HD ARG 9 -1.309 0.748 2.298
81 HD3 ARG 9 2HD ARG 9 -0.325 2.208 2.258
82 HE ARG 9 HE ARG 9 -3.202 2.083 2.380
83 HH11 ARG 9 1HH2 ARG 9 -0.445 3.890 1.332
84 HH12 ARG 9 2HH2 ARG 9 -1.264 5.416 1.347
85 HH21 ARG 9 1HH1 ARG 9 -4.286 4.084 2.403
86 HH22 ARG 9 2HH1 ARG 9 -3.438 5.525 1.953
87 HA PRO 10 HA PRO 10 0.493 3.168 -3.922
88 HB2 PRO 10 1HB PRO 10 0.566 2.276 -6.536
89 HB3 PRO 10 2HB PRO 10 1.654 1.682 -5.263
90 HG2 PRO 10 1HG PRO 10 -0.860 0.463 -6.315
91 HG3 PRO 10 2HG PRO 10 0.683 -0.309 -5.902
92 HD2 PRO 10 1HD PRO 10 -1.435 -0.403 -4.224
93 HD3 PRO 10 2HD PRO 10 0.225 -0.293 -3.620
94 H TYR 11 H TYR 11 0.025 5.011 -5.186
95 HA TYR 11 HA TYR 11 -2.704 5.714 -5.423
96 HB2 TYR 11 1HB TYR 11 -0.902 7.368 -5.085
97 HB3 TYR 11 2HB TYR 11 -0.292 7.025 -6.705
98 HD1 TYR 11 HD2 TYR 11 -3.382 8.099 -4.886
99 HD2 TYR 11 HD1 TYR 11 -1.168 8.179 -8.567
100 HE1 TYR 11 HE2 TYR 11 -5.017 9.704 -5.834
101 HE2 TYR 11 HE1 TYR 11 -2.805 9.783 -9.515
102 HH TYR 11 HH TYR 11 -4.566 11.083 -9.083
103 H ILE 12 H ILE 12 -0.702 3.871 -7.438
104 HA ILE 12 HA ILE 12 -1.667 4.554 -10.002
105 HB ILE 12 HB ILE 12 -0.589 1.948 -8.898
106 HG12 ILE 12 1HG1 ILE 12 0.702 3.975 -10.742
107 HG13 ILE 12 2HG1 ILE 12 0.883 4.031 -8.988
108 HG21 ILE 12 1HG2 ILE 12 -0.189 1.458 -11.368
109 HG22 ILE 12 2HG2 ILE 12 -1.307 2.774 -11.721
110 HG23 ILE 12 3HG2 ILE 12 -1.867 1.356 -10.836
111 HD11 ILE 12 3HD1 ILE 12 1.992 1.927 -8.931
112 HD12 ILE 12 1HD1 ILE 12 2.716 2.786 -10.290
113 HD13 ILE 12 2HD1 ILE 12 1.505 1.538 -10.581
114 H LEU 13 H LEU 13 -2.793 2.194 -7.595
115 HA LEU 13 HA LEU 13 -4.990 1.305 -9.243
116 HB2 LEU 13 1HB LEU 13 -4.419 0.884 -6.300
117 HB3 LEU 13 2HB LEU 13 -5.670 0.053 -7.222
118 HG LEU 13 HG LEU 13 -2.700 -0.055 -7.840
119 HD11 LEU 13 1HD1 LEU 13 -2.805 -2.340 -6.956
120 HD12 LEU 13 2HD1 LEU 13 -4.518 -2.140 -6.591
121 HD13 LEU 13 3HD1 LEU 13 -3.315 -1.192 -5.718
122 HD21 LEU 13 3HD2 LEU 13 -3.735 -0.521 -9.887
123 HD22 LEU 13 1HD2 LEU 13 -5.167 -1.217 -9.128
124 HD23 LEU 13 2HD2 LEU 13 -3.659 -2.132 -9.185
Start of MODEL 27
1 H1 GLU 1 1H GLU 1 -4.284 -2.564 7.274
2 H2 GLU 1 2H GLU 1 -3.683 -1.320 8.264
3 H3 GLU 1 3H GLU 1 -4.912 -2.345 8.835
4 HA GLU 1 HA GLU 1 -3.437 -3.768 9.630
5 HB2 GLU 1 1HB GLU 1 -3.485 -4.710 7.316
6 HB3 GLU 1 2HB GLU 1 -2.122 -3.673 6.898
7 HG2 GLU 1 1HG GLU 1 -0.750 -4.744 8.627
8 HG3 GLU 1 2HG GLU 1 -2.112 -5.755 9.102
9 H LEU 2 H LEU 2 -1.313 -3.848 10.569
10 HA LEU 2 HA LEU 2 -0.179 -1.291 11.058
11 HB2 LEU 2 1HB LEU 2 0.800 -4.084 11.675
12 HB3 LEU 2 2HB LEU 2 1.611 -2.625 12.236
13 HG LEU 2 HG LEU 2 -1.308 -3.235 12.787
14 HD11 LEU 2 1HD1 LEU 2 1.143 -3.728 14.505
15 HD12 LEU 2 2HD1 LEU 2 0.064 -4.953 13.838
16 HD13 LEU 2 3HD1 LEU 2 -0.521 -3.843 15.077
17 HD21 LEU 2 3HD2 LEU 2 -0.652 -1.561 14.743
18 HD22 LEU 2 1HD2 LEU 2 -1.065 -0.936 13.152
19 HD23 LEU 2 2HD2 LEU 2 0.626 -1.078 13.632
20 H TYR 3 H TYR 3 0.838 -4.034 9.057
21 HA TYR 3 HA TYR 3 3.196 -2.577 8.115
22 HB2 TYR 3 1HB TYR 3 2.126 -5.335 7.465
23 HB3 TYR 3 2HB TYR 3 3.630 -4.665 6.833
24 HD1 TYR 3 HD2 TYR 3 1.866 -5.768 9.899
25 HD2 TYR 3 HD1 TYR 3 5.600 -4.474 8.213
26 HE1 TYR 3 HE2 TYR 3 3.042 -6.463 11.969
27 HE2 TYR 3 HE1 TYR 3 6.776 -5.170 10.282
28 HH TYR 3 HH TYR 3 4.994 -6.652 12.997
29 H GLU 4 H GLU 4 2.160 -0.855 7.007
30 HA GLU 4 HA GLU 4 0.521 -1.554 4.656
31 HB2 GLU 4 1HB GLU 4 -0.307 0.204 6.194
32 HB3 GLU 4 2HB GLU 4 1.145 1.150 5.869
33 HG2 GLU 4 1HG GLU 4 0.565 1.279 3.493
34 HG3 GLU 4 2HG GLU 4 -0.849 0.261 3.764
35 H ASN 5 H ASN 5 1.700 -2.008 2.891
36 HA ASN 5 HA ASN 5 4.207 -0.530 2.393
37 HB2 ASN 5 1HB ASN 5 3.092 -2.934 0.926
38 HB3 ASN 5 2HB ASN 5 4.723 -2.274 0.811
39 HD21 ASN 5 2HD2 ASN 5 3.048 -4.760 2.239
40 HD22 ASN 5 1HD2 ASN 5 4.035 -5.007 3.597
41 H LYS 6 H LYS 6 4.502 0.694 0.550
42 HA LYS 6 HA LYS 6 2.123 1.834 -0.590
43 HB2 LYS 6 1HB LYS 6 4.402 2.940 0.107
44 HB3 LYS 6 2HB LYS 6 4.877 2.531 -1.535
45 HG2 LYS 6 1HG LYS 6 3.972 4.654 -1.870
46 HG3 LYS 6 2HG LYS 6 2.558 3.648 -2.173
47 HD2 LYS 6 1HD LYS 6 1.740 4.026 0.089
48 HD3 LYS 6 2HD LYS 6 3.216 4.889 0.519
49 HE2 LYS 6 1HE LYS 6 2.710 6.664 -1.041
50 HE3 LYS 6 2HE LYS 6 1.328 5.771 -1.678
51 HZ1 LYS 6 3HZ LYS 6 0.052 6.436 0.002
52 HZ2 LYS 6 1HZ LYS 6 1.253 7.584 0.344
53 HZ3 LYS 6 2HZ LYS 6 1.240 6.098 1.168
54 HA PRO 7 HA PRO 7 3.447 -0.263 -4.617
55 HB2 PRO 7 1HB PRO 7 4.950 -2.416 -4.592
56 HB3 PRO 7 2HB PRO 7 5.662 -0.856 -4.125
57 HG2 PRO 7 1HG PRO 7 4.848 -3.145 -2.405
58 HG3 PRO 7 2HG PRO 7 6.185 -1.997 -2.195
59 HD2 PRO 7 1HD PRO 7 3.509 -1.823 -1.065
60 HD3 PRO 7 2HD PRO 7 4.861 -0.676 -0.877
61 H ARG 8 H ARG 8 2.057 -1.621 -1.981
62 HA ARG 8 HA ARG 8 0.631 -3.761 -3.450
63 HB2 ARG 8 1HB ARG 8 0.685 -4.991 -1.509
64 HB3 ARG 8 2HB ARG 8 1.869 -3.833 -0.918
65 HG2 ARG 8 1HG ARG 8 -0.002 -2.451 0.009
66 HG3 ARG 8 2HG ARG 8 -1.141 -3.693 -0.509
67 HD2 ARG 8 1HD ARG 8 0.068 -5.348 0.894
68 HD3 ARG 8 2HD ARG 8 1.128 -4.060 1.456
69 HE ARG 8 HE ARG 8 -1.506 -3.238 1.924
70 HH11 ARG 8 1HH2 ARG 8 0.719 -5.703 2.898
71 HH12 ARG 8 2HH2 ARG 8 0.033 -5.889 4.478
72 HH21 ARG 8 1HH1 ARG 8 -2.408 -3.474 3.991
73 HH22 ARG 8 2HH1 ARG 8 -1.739 -4.627 5.096
74 H ARG 9 H ARG 9 0.575 -0.869 -1.564
75 HA ARG 9 HA ARG 9 -2.250 -0.377 -2.223
76 HB2 ARG 9 1HB ARG 9 -0.696 -0.152 0.281
77 HB3 ARG 9 2HB ARG 9 -1.796 1.189 -0.025
78 HG2 ARG 9 1HG ARG 9 -3.688 -0.299 -0.168
79 HG3 ARG 9 2HG ARG 9 -2.641 -1.718 -0.152
80 HD2 ARG 9 1HD ARG 9 -1.864 -1.068 2.128
81 HD3 ARG 9 2HD ARG 9 -3.017 0.262 2.112
82 HE ARG 9 HE ARG 9 -3.613 -2.475 2.656
83 HH11 ARG 9 1HH2 ARG 9 -4.792 0.382 1.099
84 HH12 ARG 9 2HH2 ARG 9 -6.462 -0.040 1.284
85 HH21 ARG 9 1HH1 ARG 9 -5.800 -3.035 2.900
86 HH22 ARG 9 2HH1 ARG 9 -7.033 -1.975 2.301
87 HA PRO 10 HA PRO 10 0.726 3.065 -3.729
88 HB2 PRO 10 1HB PRO 10 0.711 2.540 -6.430
89 HB3 PRO 10 2HB PRO 10 1.916 1.854 -5.320
90 HG2 PRO 10 1HG PRO 10 -0.567 0.606 -6.417
91 HG3 PRO 10 2HG PRO 10 1.048 -0.097 -6.190
92 HD2 PRO 10 1HD PRO 10 -0.985 -0.571 -4.448
93 HD3 PRO 10 2HD PRO 10 0.707 -0.476 -3.938
94 H TYR 11 H TYR 11 0.040 4.956 -4.980
95 HA TYR 11 HA TYR 11 -2.705 5.530 -4.761
96 HB2 TYR 11 1HB TYR 11 -0.609 6.890 -6.473
97 HB3 TYR 11 2HB TYR 11 -2.195 7.555 -6.086
98 HD1 TYR 11 HD2 TYR 11 -2.801 7.899 -3.626
99 HD2 TYR 11 HD1 TYR 11 1.206 7.133 -4.967
100 HE1 TYR 11 HE2 TYR 11 -1.914 8.795 -1.490
101 HE2 TYR 11 HE1 TYR 11 2.093 8.031 -2.834
102 HH TYR 11 HH TYR 11 0.813 9.906 -0.957
103 H ILE 12 H ILE 12 -1.064 3.685 -7.069
104 HA ILE 12 HA ILE 12 -2.535 4.268 -9.414
105 HB ILE 12 HB ILE 12 -1.143 1.739 -8.500
106 HG12 ILE 12 1HG1 ILE 12 -0.341 3.783 -10.589
107 HG13 ILE 12 2HG1 ILE 12 0.194 3.865 -8.909
108 HG21 ILE 12 1HG2 ILE 12 -1.222 1.221 -11.007
109 HG22 ILE 12 2HG2 ILE 12 -2.466 2.464 -11.124
110 HG23 ILE 12 3HG2 ILE 12 -2.740 1.033 -10.131
111 HD11 ILE 12 3HD1 ILE 12 0.689 1.577 -10.837
112 HD12 ILE 12 1HD1 ILE 12 1.145 1.572 -9.133
113 HD13 ILE 12 2HD1 ILE 12 1.892 2.723 -10.244
114 H LEU 13 H LEU 13 -3.048 1.948 -6.783
115 HA LEU 13 HA LEU 13 -5.496 0.922 -7.928
116 HB2 LEU 13 1HB LEU 13 -4.349 0.588 -5.145
117 HB3 LEU 13 2HB LEU 13 -5.662 -0.357 -5.845
118 HG LEU 13 HG LEU 13 -2.827 -0.232 -6.920
119 HD11 LEU 13 1HD1 LEU 13 -3.146 -1.447 -4.730
120 HD12 LEU 13 2HD1 LEU 13 -2.572 -2.470 -6.046
121 HD13 LEU 13 3HD1 LEU 13 -4.265 -2.528 -5.561
122 HD21 LEU 13 3HD2 LEU 13 -4.127 -0.728 -8.804
123 HD22 LEU 13 1HD2 LEU 13 -5.366 -1.558 -7.862
124 HD23 LEU 13 2HD2 LEU 13 -3.817 -2.343 -8.175
Start of MODEL 28
1 H1 GLU 1 1H GLU 1 -3.622 -4.506 10.150
2 H2 GLU 1 2H GLU 1 -4.681 -4.684 8.833
3 H3 GLU 1 3H GLU 1 -4.415 -3.149 9.511
4 HA GLU 1 HA GLU 1 -2.119 -4.639 8.466
5 HB2 GLU 1 1HB GLU 1 -2.596 -3.509 6.230
6 HB3 GLU 1 2HB GLU 1 -3.628 -4.882 6.627
7 HG2 GLU 1 1HG GLU 1 -5.383 -3.365 7.425
8 HG3 GLU 1 2HG GLU 1 -4.360 -1.973 7.088
9 H LEU 2 H LEU 2 -1.565 -3.170 10.425
10 HA LEU 2 HA LEU 2 -1.565 -0.349 10.107
11 HB2 LEU 2 1HB LEU 2 0.175 -2.178 11.774
12 HB3 LEU 2 2HB LEU 2 0.220 -0.420 11.879
13 HG LEU 2 HG LEU 2 -2.296 -2.066 12.278
14 HD11 LEU 2 1HD1 LEU 2 -0.387 -0.905 14.329
15 HD12 LEU 2 2HD1 LEU 2 -0.678 -2.619 14.027
16 HD13 LEU 2 3HD1 LEU 2 -1.961 -1.612 14.698
17 HD21 LEU 2 3HD2 LEU 2 -2.829 0.209 13.555
18 HD22 LEU 2 1HD2 LEU 2 -3.056 0.089 11.816
19 HD23 LEU 2 2HD2 LEU 2 -1.609 0.862 12.462
20 H TYR 3 H TYR 3 0.805 -2.870 9.315
21 HA TYR 3 HA TYR 3 2.682 -0.899 8.256
22 HB2 TYR 3 1HB TYR 3 2.774 -3.929 8.235
23 HB3 TYR 3 2HB TYR 3 4.085 -2.854 7.751
24 HD1 TYR 3 HD2 TYR 3 2.063 -4.060 10.598
25 HD2 TYR 3 HD1 TYR 3 5.382 -1.621 9.379
26 HE1 TYR 3 HE2 TYR 3 2.798 -3.882 12.959
27 HE2 TYR 3 HE1 TYR 3 6.121 -1.445 11.741
28 HH TYR 3 HH TYR 3 4.720 -3.395 14.248
29 H GLU 4 H GLU 4 1.509 0.022 6.546
30 HA GLU 4 HA GLU 4 0.590 -1.720 4.369
31 HB2 GLU 4 1HB GLU 4 0.378 1.265 4.824
32 HB3 GLU 4 2HB GLU 4 -0.241 0.435 3.398
33 HG2 GLU 4 1HG GLU 4 -1.701 -0.944 4.805
34 HG3 GLU 4 2HG GLU 4 -1.060 -0.171 6.254
35 H ASN 5 H ASN 5 1.622 -1.890 2.404
36 HA ASN 5 HA ASN 5 4.269 -0.622 2.206
37 HB2 ASN 5 1HB ASN 5 3.091 -2.667 0.355
38 HB3 ASN 5 2HB ASN 5 4.789 -2.289 0.617
39 HD21 ASN 5 2HD2 ASN 5 2.247 -4.371 1.596
40 HD22 ASN 5 1HD2 ASN 5 3.014 -5.034 2.956
41 H LYS 6 H LYS 6 4.866 -0.172 -0.213
42 HA LYS 6 HA LYS 6 2.936 1.828 -1.159
43 HB2 LYS 6 1HB LYS 6 5.763 1.521 -2.131
44 HB3 LYS 6 2HB LYS 6 4.751 2.966 -2.107
45 HG2 LYS 6 1HG LYS 6 5.876 1.529 0.320
46 HG3 LYS 6 2HG LYS 6 6.415 3.083 -0.311
47 HD2 LYS 6 1HD LYS 6 4.020 3.903 0.028
48 HD3 LYS 6 2HD LYS 6 3.744 2.421 0.943
49 HE2 LYS 6 1HE LYS 6 4.352 4.140 2.521
50 HE3 LYS 6 2HE LYS 6 5.721 3.037 2.381
51 HZ1 LYS 6 3HZ LYS 6 5.543 5.436 0.677
52 HZ2 LYS 6 1HZ LYS 6 6.917 4.548 1.125
53 HZ3 LYS 6 2HZ LYS 6 6.145 5.547 2.262
54 HA PRO 7 HA PRO 7 3.514 -0.602 -5.175
55 HB2 PRO 7 1HB PRO 7 5.093 -2.696 -5.343
56 HB3 PRO 7 2HB PRO 7 5.783 -1.092 -5.015
57 HG2 PRO 7 1HG PRO 7 5.352 -3.371 -3.142
58 HG3 PRO 7 2HG PRO 7 6.655 -2.170 -3.172
59 HD2 PRO 7 1HD PRO 7 4.204 -2.061 -1.613
60 HD3 PRO 7 2HD PRO 7 5.498 -0.839 -1.700
61 H ARG 8 H ARG 8 2.685 -2.239 -2.361
62 HA ARG 8 HA ARG 8 1.081 -4.293 -3.765
63 HB2 ARG 8 1HB ARG 8 2.091 -5.588 -2.144
64 HB3 ARG 8 2HB ARG 8 2.514 -4.197 -1.168
65 HG2 ARG 8 1HG ARG 8 0.917 -5.724 -0.026
66 HG3 ARG 8 2HG ARG 8 0.280 -4.098 -0.219
67 HD2 ARG 8 1HD ARG 8 -1.520 -4.959 -1.311
68 HD3 ARG 8 2HD ARG 8 -0.463 -5.621 -2.555
69 HE ARG 8 HE ARG 8 -0.281 -7.375 -0.426
70 HH11 ARG 8 1HH2 ARG 8 -2.766 -6.046 -2.430
71 HH12 ARG 8 2HH2 ARG 8 -3.803 -7.428 -2.299
72 HH21 ARG 8 1HH1 ARG 8 -1.626 -9.188 -0.248
73 HH22 ARG 8 2HH1 ARG 8 -3.151 -9.217 -1.069
74 H ARG 9 H ARG 9 1.239 -1.577 -1.643
75 HA ARG 9 HA ARG 9 -1.679 -1.215 -1.783
76 HB2 ARG 9 1HB ARG 9 0.209 -1.194 0.468
77 HB3 ARG 9 2HB ARG 9 -0.870 0.196 0.458
78 HG2 ARG 9 1HG ARG 9 -2.819 -1.339 0.274
79 HG3 ARG 9 2HG ARG 9 -1.723 -2.717 0.348
80 HD2 ARG 9 1HD ARG 9 -2.431 -2.473 2.577
81 HD3 ARG 9 2HD ARG 9 -0.881 -1.642 2.558
82 HE ARG 9 HE ARG 9 -2.007 0.351 2.949
83 HH11 ARG 9 1HH2 ARG 9 -4.179 -2.104 1.838
84 HH12 ARG 9 2HH2 ARG 9 -5.602 -1.150 2.086
85 HH21 ARG 9 1HH1 ARG 9 -3.863 1.612 3.260
86 HH22 ARG 9 2HH1 ARG 9 -5.423 0.957 2.892
87 HA PRO 10 HA PRO 10 0.837 2.461 -3.521
88 HB2 PRO 10 1HB PRO 10 0.176 2.148 -6.188
89 HB3 PRO 10 2HB PRO 10 1.635 1.449 -5.463
90 HG2 PRO 10 1HG PRO 10 -0.986 0.156 -6.047
91 HG3 PRO 10 2HG PRO 10 0.660 -0.482 -6.238
92 HD2 PRO 10 1HD PRO 10 -0.911 -1.173 -4.133
93 HD3 PRO 10 2HD PRO 10 0.848 -1.028 -4.001
94 H TYR 11 H TYR 11 -0.112 4.445 -4.150
95 HA TYR 11 HA TYR 11 -2.943 4.649 -3.605
96 HB2 TYR 11 1HB TYR 11 -2.588 7.049 -3.766
97 HB3 TYR 11 2HB TYR 11 -1.288 6.336 -2.810
98 HD1 TYR 11 HD2 TYR 11 0.978 6.058 -3.758
99 HD2 TYR 11 HD1 TYR 11 -2.174 7.970 -5.965
100 HE1 TYR 11 HE2 TYR 11 2.647 6.978 -5.348
101 HE2 TYR 11 HE1 TYR 11 -0.506 8.890 -7.551
102 HH TYR 11 HH TYR 11 1.788 8.336 -8.327
103 H ILE 12 H ILE 12 -1.361 3.677 -6.252
104 HA ILE 12 HA ILE 12 -2.403 5.223 -8.373
105 HB ILE 12 HB ILE 12 -1.554 2.319 -8.242
106 HG12 ILE 12 1HG1 ILE 12 0.245 3.917 -7.736
107 HG13 ILE 12 2HG1 ILE 12 0.520 3.159 -9.299
108 HG21 ILE 12 1HG2 ILE 12 -2.285 4.074 -10.592
109 HG22 ILE 12 2HG2 ILE 12 -2.954 2.499 -10.164
110 HG23 ILE 12 3HG2 ILE 12 -1.298 2.620 -10.760
111 HD11 ILE 12 3HD1 ILE 12 -0.213 5.988 -8.659
112 HD12 ILE 12 1HD1 ILE 12 -0.807 5.316 -10.176
113 HD13 ILE 12 2HD1 ILE 12 0.922 5.369 -9.855
114 H LEU 13 H LEU 13 -3.604 2.309 -6.744
115 HA LEU 13 HA LEU 13 -5.961 2.150 -8.404
116 HB2 LEU 13 1HB LEU 13 -5.366 0.756 -5.781
117 HB3 LEU 13 2HB LEU 13 -6.612 0.313 -6.947
118 HG LEU 13 HG LEU 13 -3.626 0.317 -7.491
119 HD11 LEU 13 1HD1 LEU 13 -5.577 -1.966 -7.055
120 HD12 LEU 13 2HD1 LEU 13 -4.297 -1.469 -5.950
121 HD13 LEU 13 3HD1 LEU 13 -3.887 -2.146 -7.527
122 HD21 LEU 13 3HD2 LEU 13 -4.629 0.684 -9.587
123 HD22 LEU 13 1HD2 LEU 13 -6.060 -0.268 -9.181
124 HD23 LEU 13 2HD2 LEU 13 -4.526 -1.072 -9.528
Start of MODEL 29
1 H1 GLU 1 1H GLU 1 -4.729 -3.764 8.674
2 H2 GLU 1 2H GLU 1 -3.633 -4.796 9.460
3 H3 GLU 1 3H GLU 1 -4.470 -5.331 8.082
4 HA GLU 1 HA GLU 1 -2.296 -4.829 7.365
5 HB2 GLU 1 1HB GLU 1 -2.754 -2.725 5.953
6 HB3 GLU 1 2HB GLU 1 -3.862 -4.082 5.746
7 HG2 GLU 1 1HG GLU 1 -5.520 -3.060 7.145
8 HG3 GLU 1 2HG GLU 1 -4.390 -1.813 7.677
9 H LEU 2 H LEU 2 -1.448 -4.455 9.686
10 HA LEU 2 HA LEU 2 -1.131 -1.808 10.663
11 HB2 LEU 2 1HB LEU 2 0.316 -4.405 11.171
12 HB3 LEU 2 2HB LEU 2 0.813 -2.909 11.956
13 HG LEU 2 HG LEU 2 -2.016 -4.000 12.070
14 HD11 LEU 2 1HD1 LEU 2 0.349 -4.405 13.909
15 HD12 LEU 2 2HD1 LEU 2 -0.676 -5.632 13.168
16 HD13 LEU 2 3HD1 LEU 2 -1.315 -4.612 14.456
17 HD21 LEU 2 3HD2 LEU 2 -1.837 -2.472 14.250
18 HD22 LEU 2 1HD2 LEU 2 -2.207 -1.756 12.686
19 HD23 LEU 2 2HD2 LEU 2 -0.567 -1.674 13.326
20 H TYR 3 H TYR 3 0.855 -3.896 8.613
21 HA TYR 3 HA TYR 3 2.886 -1.810 8.298
22 HB2 TYR 3 1HB TYR 3 2.686 -4.594 7.121
23 HB3 TYR 3 2HB TYR 3 4.055 -3.499 6.932
24 HD1 TYR 3 HD1 TYR 3 5.518 -2.960 8.814
25 HD2 TYR 3 HD2 TYR 3 2.217 -5.677 9.265
26 HE1 TYR 3 HE1 TYR 3 6.463 -3.751 10.967
27 HE2 TYR 3 HE2 TYR 3 3.163 -6.464 11.420
28 HH TYR 3 HH TYR 3 6.279 -5.225 12.623
29 H GLU 4 H GLU 4 2.060 -0.183 7.061
30 HA GLU 4 HA GLU 4 0.638 -0.819 4.564
31 HB2 GLU 4 1HB GLU 4 1.198 1.791 5.994
32 HB3 GLU 4 2HB GLU 4 0.335 1.665 4.462
33 HG2 GLU 4 1HG GLU 4 -1.368 0.241 5.514
34 HG3 GLU 4 2HG GLU 4 -0.493 0.309 7.044
35 H ASN 5 H ASN 5 2.017 -1.356 2.948
36 HA ASN 5 HA ASN 5 4.545 0.118 2.651
37 HB2 ASN 5 1HB ASN 5 4.523 -2.378 2.655
38 HB3 ASN 5 2HB ASN 5 3.591 -2.337 1.169
39 HD21 ASN 5 2HD2 ASN 5 5.444 -3.393 0.048
40 HD22 ASN 5 1HD2 ASN 5 6.820 -2.486 -0.358
41 H LYS 6 H LYS 6 5.004 0.030 -0.033
42 HA LYS 6 HA LYS 6 3.105 2.029 -1.008
43 HB2 LYS 6 1HB LYS 6 5.693 2.240 -0.865
44 HB3 LYS 6 2HB LYS 6 5.686 1.306 -2.354
45 HG2 LYS 6 1HG LYS 6 5.628 3.497 -3.173
46 HG3 LYS 6 2HG LYS 6 3.917 3.075 -3.160
47 HD2 LYS 6 1HD LYS 6 3.564 4.275 -1.092
48 HD3 LYS 6 2HD LYS 6 5.296 4.506 -0.866
49 HE2 LYS 6 1HE LYS 6 3.898 5.565 -3.320
50 HE3 LYS 6 2HE LYS 6 3.932 6.487 -1.817
51 HZ1 LYS 6 3HZ LYS 6 6.423 6.083 -1.874
52 HZ2 LYS 6 1HZ LYS 6 5.796 7.195 -2.989
53 HZ3 LYS 6 2HZ LYS 6 6.206 5.627 -3.495
54 HA PRO 7 HA PRO 7 2.988 -0.993 -4.680
55 HB2 PRO 7 1HB PRO 7 4.057 -3.433 -4.485
56 HB3 PRO 7 2HB PRO 7 5.070 -1.993 -4.712
57 HG2 PRO 7 1HG PRO 7 4.646 -3.631 -2.275
58 HG3 PRO 7 2HG PRO 7 6.064 -2.691 -2.771
59 HD2 PRO 7 1HD PRO 7 3.948 -1.858 -0.981
60 HD3 PRO 7 2HD PRO 7 5.346 -0.901 -1.519
61 H ARG 8 H ARG 8 1.994 -1.631 -1.613
62 HA ARG 8 HA ARG 8 -0.061 -3.593 -2.465
63 HB2 ARG 8 1HB ARG 8 -0.334 -4.239 -0.198
64 HB3 ARG 8 2HB ARG 8 1.409 -4.131 -0.409
65 HG2 ARG 8 1HG ARG 8 1.390 -1.871 0.604
66 HG3 ARG 8 2HG ARG 8 -0.352 -1.996 0.846
67 HD2 ARG 8 1HD ARG 8 0.781 -2.612 2.909
68 HD3 ARG 8 2HD ARG 8 -0.003 -4.027 2.220
69 HE ARG 8 HE ARG 8 2.664 -3.901 1.286
70 HH11 ARG 8 1HH2 ARG 8 0.798 -4.439 4.144
71 HH12 ARG 8 2HH2 ARG 8 1.956 -5.503 4.872
72 HH21 ARG 8 1HH1 ARG 8 4.190 -5.307 2.227
73 HH22 ARG 8 2HH1 ARG 8 3.874 -5.996 3.783
74 H ARG 9 H ARG 9 0.752 -0.502 -1.133
75 HA ARG 9 HA ARG 9 -2.030 0.424 -1.421
76 HB2 ARG 9 1HB ARG 9 -0.062 0.701 0.750
77 HB3 ARG 9 2HB ARG 9 -0.894 2.197 0.354
78 HG2 ARG 9 1HG ARG 9 -3.056 1.166 0.732
79 HG3 ARG 9 2HG ARG 9 -2.310 -0.421 0.932
80 HD2 ARG 9 1HD ARG 9 -1.259 0.217 2.973
81 HD3 ARG 9 2HD ARG 9 -1.593 1.925 2.696
82 HE ARG 9 HE ARG 9 -3.421 -0.041 3.785
83 HH11 ARG 9 1HH2 ARG 9 -3.041 2.982 2.144
84 HH12 ARG 9 2HH2 ARG 9 -4.582 3.601 2.637
85 HH21 ARG 9 1HH1 ARG 9 -5.436 0.762 4.440
86 HH22 ARG 9 2HH1 ARG 9 -5.949 2.336 3.926
87 HA PRO 10 HA PRO 10 1.179 2.992 -3.907
88 HB2 PRO 10 1HB PRO 10 0.659 2.061 -6.453
89 HB3 PRO 10 2HB PRO 10 1.928 1.391 -5.414
90 HG2 PRO 10 1HG PRO 10 -0.822 0.363 -5.938
91 HG3 PRO 10 2HG PRO 10 0.705 -0.526 -5.766
92 HD2 PRO 10 1HD PRO 10 -1.116 -0.371 -3.747
93 HD3 PRO 10 2HD PRO 10 0.625 -0.466 -3.456
94 H TYR 11 H TYR 11 0.475 4.264 -6.121
95 HA TYR 11 HA TYR 11 -2.034 5.555 -5.417
96 HB2 TYR 11 1HB TYR 11 -0.041 6.163 -7.612
97 HB3 TYR 11 2HB TYR 11 -1.429 7.164 -7.184
98 HD1 TYR 11 HD2 TYR 11 -1.611 7.931 -4.706
99 HD2 TYR 11 HD1 TYR 11 2.010 6.463 -6.490
100 HE1 TYR 11 HE2 TYR 11 -0.286 9.008 -2.905
101 HE2 TYR 11 HE1 TYR 11 3.333 7.538 -4.689
102 HH TYR 11 HH TYR 11 3.195 9.194 -3.044
103 H ILE 12 H ILE 12 -1.235 2.920 -7.306
104 HA ILE 12 HA ILE 12 -2.823 3.331 -9.617
105 HB ILE 12 HB ILE 12 -2.260 0.708 -8.216
106 HG12 ILE 12 1HG1 ILE 12 -0.155 1.865 -8.624
107 HG13 ILE 12 2HG1 ILE 12 -0.328 0.560 -9.790
108 HG21 ILE 12 1HG2 ILE 12 -3.970 0.470 -9.897
109 HG22 ILE 12 2HG2 ILE 12 -2.468 -0.167 -10.570
110 HG23 ILE 12 3HG2 ILE 12 -3.043 1.430 -11.049
111 HD11 ILE 12 3HD1 ILE 12 -1.374 2.403 -11.330
112 HD12 ILE 12 1HD1 ILE 12 0.374 2.352 -11.127
113 HD13 ILE 12 2HD1 ILE 12 -0.582 3.527 -10.228
114 H LEU 13 H LEU 13 -3.531 1.891 -6.456
115 HA LEU 13 HA LEU 13 -6.300 1.378 -7.099
116 HB2 LEU 13 1HB LEU 13 -4.904 1.387 -4.413
117 HB3 LEU 13 2HB LEU 13 -6.472 0.665 -4.773
118 HG LEU 13 HG LEU 13 -3.822 -0.165 -6.004
119 HD11 LEU 13 1HD1 LEU 13 -4.045 -2.174 -4.650
120 HD12 LEU 13 2HD1 LEU 13 -5.605 -1.628 -4.035
121 HD13 LEU 13 3HD1 LEU 13 -4.131 -0.766 -3.593
122 HD21 LEU 13 3HD2 LEU 13 -5.443 -0.682 -7.637
123 HD22 LEU 13 1HD2 LEU 13 -6.683 -1.035 -6.435
124 HD23 LEU 13 2HD2 LEU 13 -5.360 -2.169 -6.699
Start of MODEL 30
1 H1 GLU 1 1H GLU 1 -4.406 -4.156 7.988
2 H2 GLU 1 2H GLU 1 -3.529 -4.957 9.202
3 H3 GLU 1 3H GLU 1 -4.009 -5.794 7.806
4 HA GLU 1 HA GLU 1 -1.687 -5.290 7.642
5 HB2 GLU 1 1HB GLU 1 -1.851 -3.700 5.591
6 HB3 GLU 1 2HB GLU 1 -2.702 -5.243 5.518
7 HG2 GLU 1 1HG GLU 1 -4.796 -4.156 6.175
8 HG3 GLU 1 2HG GLU 1 -3.965 -2.610 6.336
9 H LEU 2 H LEU 2 -0.996 -4.276 9.606
10 HA LEU 2 HA LEU 2 -1.355 -1.509 10.141
11 HB2 LEU 2 1HB LEU 2 0.708 -3.501 11.103
12 HB3 LEU 2 2HB LEU 2 0.585 -1.856 11.718
13 HG LEU 2 HG LEU 2 -1.714 -3.834 11.747
14 HD11 LEU 2 1HD1 LEU 2 -0.040 -4.764 13.176
15 HD12 LEU 2 2HD1 LEU 2 -1.171 -3.927 14.239
16 HD13 LEU 2 3HD1 LEU 2 0.376 -3.181 13.835
17 HD21 LEU 2 3HD2 LEU 2 -2.699 -1.728 11.998
18 HD22 LEU 2 1HD2 LEU 2 -1.287 -1.037 12.794
19 HD23 LEU 2 2HD2 LEU 2 -2.356 -2.125 13.677
20 H TYR 3 H TYR 3 1.192 -3.357 8.519
21 HA TYR 3 HA TYR 3 2.730 -0.927 7.969
22 HB2 TYR 3 1HB TYR 3 3.211 -3.830 7.256
23 HB3 TYR 3 2HB TYR 3 4.319 -2.505 6.891
24 HD1 TYR 3 HD1 TYR 3 2.748 -4.472 9.609
25 HD2 TYR 3 HD2 TYR 3 5.653 -1.468 8.614
26 HE1 TYR 3 HE1 TYR 3 3.702 -4.639 11.891
27 HE2 TYR 3 HE2 TYR 3 6.607 -1.635 10.897
28 HH TYR 3 HH TYR 3 5.994 -2.357 13.095
29 H GLU 4 H GLU 4 1.457 0.242 6.546
30 HA GLU 4 HA GLU 4 0.626 -1.025 4.015
31 HB2 GLU 4 1HB GLU 4 -0.024 1.638 5.294
32 HB3 GLU 4 2HB GLU 4 -0.562 1.169 3.684
33 HG2 GLU 4 1HG GLU 4 -1.737 -0.772 4.611
34 HG3 GLU 4 2HG GLU 4 -1.142 -0.380 6.224
35 H ASN 5 H ASN 5 2.339 -1.085 2.605
36 HA ASN 5 HA ASN 5 4.031 1.335 2.380
37 HB2 ASN 5 1HB ASN 5 4.446 -1.475 1.339
38 HB3 ASN 5 2HB ASN 5 5.549 -0.125 1.072
39 HD21 ASN 5 2HD2 ASN 5 5.052 1.001 3.812
40 HD22 ASN 5 1HD2 ASN 5 5.881 -0.032 4.875
41 H LYS 6 H LYS 6 4.885 0.836 -0.312
42 HA LYS 6 HA LYS 6 2.570 1.969 -1.705
43 HB2 LYS 6 1HB LYS 6 4.241 2.637 -3.423
44 HB3 LYS 6 2HB LYS 6 4.533 3.301 -1.820
45 HG2 LYS 6 1HG LYS 6 6.650 2.544 -2.662
46 HG3 LYS 6 2HG LYS 6 6.157 1.408 -1.412
47 HD2 LYS 6 1HD LYS 6 5.744 -0.308 -2.933
48 HD3 LYS 6 2HD LYS 6 5.365 0.797 -4.251
49 HE2 LYS 6 1HE LYS 6 8.155 0.598 -3.112
50 HE3 LYS 6 2HE LYS 6 7.597 -0.489 -4.384
51 HZ1 LYS 6 3HZ LYS 6 7.055 2.326 -4.814
52 HZ2 LYS 6 1HZ LYS 6 7.597 1.146 -5.903
53 HZ3 LYS 6 2HZ LYS 6 8.696 1.893 -4.845
54 HA PRO 7 HA PRO 7 3.239 -1.813 -4.472
55 HB2 PRO 7 1HB PRO 7 4.175 -4.016 -3.458
56 HB3 PRO 7 2HB PRO 7 5.256 -2.603 -3.518
57 HG2 PRO 7 1HG PRO 7 3.703 -3.681 -1.195
58 HG3 PRO 7 2HG PRO 7 5.389 -3.127 -1.250
59 HD2 PRO 7 1HD PRO 7 3.138 -1.521 -0.518
60 HD3 PRO 7 2HD PRO 7 4.775 -0.948 -0.911
61 H ARG 8 H ARG 8 2.093 -2.446 -1.206
62 HA ARG 8 HA ARG 8 -0.007 -4.284 -2.102
63 HB2 ARG 8 1HB ARG 8 -0.305 -4.812 0.225
64 HB3 ARG 8 2HB ARG 8 1.432 -4.777 -0.057
65 HG2 ARG 8 1HG ARG 8 1.425 -2.388 0.760
66 HG3 ARG 8 2HG ARG 8 -0.252 -2.628 1.237
67 HD2 ARG 8 1HD ARG 8 2.033 -4.375 2.173
68 HD3 ARG 8 2HD ARG 8 1.382 -3.027 3.095
69 HE ARG 8 HE ARG 8 -0.756 -4.716 2.407
70 HH11 ARG 8 1HH2 ARG 8 2.141 -4.692 4.298
71 HH12 ARG 8 2HH2 ARG 8 1.549 -5.818 5.474
72 HH21 ARG 8 1HH1 ARG 8 -1.541 -6.194 3.944
73 HH22 ARG 8 2HH1 ARG 8 -0.537 -6.668 5.272
74 H ARG 9 H ARG 9 0.643 -1.148 -0.791
75 HA ARG 9 HA ARG 9 -2.177 -0.352 -1.132
76 HB2 ARG 9 1HB ARG 9 -0.204 0.181 1.036
77 HB3 ARG 9 2HB ARG 9 -1.299 1.494 0.625
78 HG2 ARG 9 1HG ARG 9 -2.160 -1.326 1.365
79 HG3 ARG 9 2HG ARG 9 -2.181 0.048 2.461
80 HD2 ARG 9 1HD ARG 9 -4.024 -0.612 0.214
81 HD3 ARG 9 2HD ARG 9 -4.366 0.178 1.747
82 HE ARG 9 HE ARG 9 -2.958 2.089 0.497
83 HH11 ARG 9 1HH2 ARG 9 -5.511 0.014 -0.586
84 HH12 ARG 9 2HH2 ARG 9 -6.140 1.158 -1.724
85 HH21 ARG 9 1HH1 ARG 9 -3.780 3.590 -0.992
86 HH22 ARG 9 2HH1 ARG 9 -5.161 3.180 -1.953
87 HA PRO 10 HA PRO 10 0.985 1.990 -3.803
88 HB2 PRO 10 1HB PRO 10 -0.062 1.212 -6.256
89 HB3 PRO 10 2HB PRO 10 1.261 0.363 -5.437
90 HG2 PRO 10 1HG PRO 10 -1.641 -0.304 -5.506
91 HG3 PRO 10 2HG PRO 10 -0.223 -1.373 -5.583
92 HD2 PRO 10 1HD PRO 10 -1.651 -1.073 -3.302
93 HD3 PRO 10 2HD PRO 10 0.097 -1.323 -3.305
94 H TYR 11 H TYR 11 0.546 3.965 -4.844
95 HA TYR 11 HA TYR 11 -2.037 5.111 -4.300
96 HB2 TYR 11 1HB TYR 11 0.336 6.242 -5.807
97 HB3 TYR 11 2HB TYR 11 -1.070 7.159 -5.267
98 HD1 TYR 11 HD2 TYR 11 -1.540 7.409 -2.823
99 HD2 TYR 11 HD1 TYR 11 2.079 5.615 -4.281
100 HE1 TYR 11 HE2 TYR 11 -0.496 7.702 -0.592
101 HE2 TYR 11 HE1 TYR 11 3.124 5.909 -2.051
102 HH TYR 11 HH TYR 11 1.342 6.676 0.726
103 H ILE 12 H ILE 12 -1.012 3.104 -6.673
104 HA ILE 12 HA ILE 12 -1.977 4.278 -9.055
105 HB ILE 12 HB ILE 12 -1.676 1.383 -8.218
106 HG12 ILE 12 1HG1 ILE 12 -0.019 3.064 -10.118
107 HG13 ILE 12 2HG1 ILE 12 0.367 2.889 -8.406
108 HG21 ILE 12 1HG2 ILE 12 -1.727 1.024 -10.756
109 HG22 ILE 12 2HG2 ILE 12 -2.427 2.638 -10.869
110 HG23 ILE 12 3HG2 ILE 12 -3.280 1.367 -9.992
111 HD11 ILE 12 3HD1 ILE 12 0.621 0.495 -8.642
112 HD12 ILE 12 1HD1 ILE 12 1.590 1.268 -9.895
113 HD13 ILE 12 2HD1 ILE 12 0.031 0.550 -10.303
114 H LEU 13 H LEU 13 -3.525 2.194 -6.631
115 HA LEU 13 HA LEU 13 -6.067 2.207 -8.014
116 HB2 LEU 13 1HB LEU 13 -5.399 1.311 -5.199
117 HB3 LEU 13 2HB LEU 13 -6.873 0.940 -6.092
118 HG LEU 13 HG LEU 13 -4.075 0.117 -6.926
119 HD11 LEU 13 1HD1 LEU 13 -4.779 -1.123 -4.959
120 HD12 LEU 13 2HD1 LEU 13 -4.917 -2.179 -6.364
121 HD13 LEU 13 3HD1 LEU 13 -6.360 -1.437 -5.675
122 HD21 LEU 13 3HD2 LEU 13 -5.585 -1.433 -8.435
123 HD22 LEU 13 1HD2 LEU 13 -5.289 0.231 -8.933
124 HD23 LEU 13 2HD2 LEU 13 -6.813 -0.199 -8.156
Start of MODEL 31
1 H1 GLU 1 1H GLU 1 -3.922 -4.652 7.776
2 H2 GLU 1 2H GLU 1 -3.374 -6.181 7.280
3 H3 GLU 1 3H GLU 1 -3.277 -4.857 6.221
4 HA GLU 1 HA GLU 1 -1.597 -5.529 8.527
5 HB2 GLU 1 1HB GLU 1 -0.908 -5.954 6.158
6 HB3 GLU 1 2HB GLU 1 -1.032 -4.222 5.845
7 HG2 GLU 1 1HG GLU 1 1.284 -4.704 6.312
8 HG3 GLU 1 2HG GLU 1 0.636 -3.857 7.714
9 H LEU 2 H LEU 2 -0.870 -4.016 9.926
10 HA LEU 2 HA LEU 2 -2.173 -1.498 10.123
11 HB2 LEU 2 1HB LEU 2 0.277 -2.630 11.487
12 HB3 LEU 2 2HB LEU 2 -0.417 -1.064 11.893
13 HG LEU 2 HG LEU 2 -1.996 -3.652 11.936
14 HD11 LEU 2 1HD1 LEU 2 -1.702 -3.577 14.398
15 HD12 LEU 2 2HD1 LEU 2 -0.614 -2.200 14.212
16 HD13 LEU 2 3HD1 LEU 2 -0.161 -3.775 13.561
17 HD21 LEU 2 3HD2 LEU 2 -3.591 -1.941 11.885
18 HD22 LEU 2 1HD2 LEU 2 -2.546 -0.791 12.717
19 HD23 LEU 2 2HD2 LEU 2 -3.333 -2.085 13.618
20 H TYR 3 H TYR 3 1.019 -2.516 8.990
21 HA TYR 3 HA TYR 3 1.748 0.228 8.271
22 HB2 TYR 3 1HB TYR 3 3.446 -1.268 9.263
23 HB3 TYR 3 2HB TYR 3 3.255 -2.374 7.903
24 HD1 TYR 3 HD1 TYR 3 4.043 -1.780 5.664
25 HD2 TYR 3 HD2 TYR 3 4.532 0.905 8.983
26 HE1 TYR 3 HE1 TYR 3 5.659 -0.440 4.344
27 HE2 TYR 3 HE2 TYR 3 6.145 2.246 7.661
28 HH TYR 3 HH TYR 3 7.316 1.151 4.539
29 H GLU 4 H GLU 4 1.324 1.054 6.325
30 HA GLU 4 HA GLU 4 0.363 -0.698 4.178
31 HB2 GLU 4 1HB GLU 4 0.522 2.326 4.360
32 HB3 GLU 4 2HB GLU 4 -0.245 1.413 3.061
33 HG2 GLU 4 1HG GLU 4 -2.062 1.923 4.455
34 HG3 GLU 4 2HG GLU 4 -1.631 0.297 4.976
35 H ASN 5 H ASN 5 1.570 -1.238 2.425
36 HA ASN 5 HA ASN 5 4.306 -0.158 2.285
37 HB2 ASN 5 1HB ASN 5 3.017 -2.489 0.885
38 HB3 ASN 5 2HB ASN 5 4.702 -2.022 0.715
39 HD21 ASN 5 2HD2 ASN 5 5.995 -1.996 2.826
40 HD22 ASN 5 1HD2 ASN 5 5.583 -3.131 4.018
41 H LYS 6 H LYS 6 4.918 -0.557 -0.331
42 HA LYS 6 HA LYS 6 3.547 1.708 -1.607
43 HB2 LYS 6 1HB LYS 6 6.276 0.496 -1.786
44 HB3 LYS 6 2HB LYS 6 5.675 1.401 -3.173
45 HG2 LYS 6 1HG LYS 6 6.961 2.828 -1.586
46 HG3 LYS 6 2HG LYS 6 5.292 3.366 -1.774
47 HD2 LYS 6 1HD LYS 6 4.648 2.434 0.322
48 HD3 LYS 6 2HD LYS 6 6.139 1.501 0.452
49 HE2 LYS 6 1HE LYS 6 7.443 3.451 0.858
50 HE3 LYS 6 2HE LYS 6 6.143 4.521 0.334
51 HZ1 LYS 6 3HZ LYS 6 4.918 3.231 2.288
52 HZ2 LYS 6 1HZ LYS 6 5.803 4.655 2.547
53 HZ3 LYS 6 2HZ LYS 6 6.511 3.145 2.871
54 HA PRO 7 HA PRO 7 3.070 -1.487 -5.063
55 HB2 PRO 7 1HB PRO 7 4.151 -3.866 -4.936
56 HB3 PRO 7 2HB PRO 7 5.201 -2.432 -4.913
57 HG2 PRO 7 1HG PRO 7 4.413 -4.224 -2.662
58 HG3 PRO 7 2HG PRO 7 5.953 -3.394 -2.951
59 HD2 PRO 7 1HD PRO 7 3.717 -2.448 -1.344
60 HD3 PRO 7 2HD PRO 7 5.256 -1.612 -1.676
61 H ARG 8 H ARG 8 2.225 -2.430 -1.933
62 HA ARG 8 HA ARG 8 0.113 -4.305 -2.791
63 HB2 ARG 8 1HB ARG 8 1.279 -5.383 -1.061
64 HB3 ARG 8 2HB ARG 8 1.685 -3.873 -0.275
65 HG2 ARG 8 1HG ARG 8 -0.609 -3.621 0.512
66 HG3 ARG 8 2HG ARG 8 -1.071 -5.114 -0.310
67 HD2 ARG 8 1HD ARG 8 1.050 -4.882 1.837
68 HD3 ARG 8 2HD ARG 8 -0.605 -5.409 2.129
69 HE ARG 8 HE ARG 8 1.509 -6.975 0.953
70 HH11 ARG 8 1HH2 ARG 8 -1.901 -6.417 1.117
71 HH12 ARG 8 2HH2 ARG 8 -2.329 -8.026 0.644
72 HH21 ARG 8 1HH1 ARG 8 0.956 -9.092 0.326
73 HH22 ARG 8 2HH1 ARG 8 -0.712 -9.540 0.196
74 H ARG 9 H ARG 9 1.074 -1.410 -1.187
75 HA ARG 9 HA ARG 9 -1.687 -0.431 -1.131
76 HB2 ARG 9 1HB ARG 9 0.524 -0.345 0.849
77 HB3 ARG 9 2HB ARG 9 -0.486 1.100 0.754
78 HG2 ARG 9 1HG ARG 9 -1.662 -1.669 1.038
79 HG3 ARG 9 2HG ARG 9 -1.184 -0.720 2.437
80 HD2 ARG 9 1HD ARG 9 -3.032 0.435 0.360
81 HD3 ARG 9 2HD ARG 9 -3.645 -0.598 1.638
82 HE ARG 9 HE ARG 9 -2.007 1.525 2.663
83 HH11 ARG 9 1HH2 ARG 9 -5.118 0.657 1.436
84 HH12 ARG 9 2HH2 ARG 9 -5.959 1.928 2.258
85 HH21 ARG 9 1HH1 ARG 9 -3.103 3.209 3.751
86 HH22 ARG 9 2HH1 ARG 9 -4.817 3.371 3.569
87 HA PRO 10 HA PRO 10 1.261 2.281 -3.717
88 HB2 PRO 10 1HB PRO 10 0.221 1.747 -6.207
89 HB3 PRO 10 2HB PRO 10 1.538 0.792 -5.498
90 HG2 PRO 10 1HG PRO 10 -1.385 0.194 -5.586
91 HG3 PRO 10 2HG PRO 10 -0.001 -0.881 -5.874
92 HD2 PRO 10 1HD PRO 10 -1.326 -0.878 -3.512
93 HD3 PRO 10 2HD PRO 10 0.421 -1.157 -3.620
94 H TYR 11 H TYR 11 0.641 4.303 -4.673
95 HA TYR 11 HA TYR 11 -1.794 5.398 -3.752
96 HB2 TYR 11 1HB TYR 11 0.090 6.379 -5.915
97 HB3 TYR 11 2HB TYR 11 -1.217 7.330 -5.209
98 HD1 TYR 11 HD2 TYR 11 -1.105 8.118 -2.893
99 HD2 TYR 11 HD1 TYR 11 2.086 5.821 -4.624
100 HE1 TYR 11 HE2 TYR 11 0.375 8.750 -1.005
101 HE2 TYR 11 HE1 TYR 11 3.564 6.450 -2.735
102 HH TYR 11 HH TYR 11 2.337 8.134 0.076
103 H ILE 12 H ILE 12 -0.839 3.774 -6.665
104 HA ILE 12 HA ILE 12 -3.027 4.519 -8.321
105 HB ILE 12 HB ILE 12 -1.279 2.040 -8.365
106 HG12 ILE 12 1HG1 ILE 12 -1.063 4.601 -9.985
107 HG13 ILE 12 2HG1 ILE 12 -0.135 4.299 -8.516
108 HG21 ILE 12 1HG2 ILE 12 -3.322 3.187 -10.275
109 HG22 ILE 12 2HG2 ILE 12 -3.102 1.515 -9.763
110 HG23 ILE 12 3HG2 ILE 12 -1.967 2.245 -10.893
111 HD11 ILE 12 3HD1 ILE 12 -0.109 2.437 -10.904
112 HD12 ILE 12 1HD1 ILE 12 0.964 2.399 -9.504
113 HD13 ILE 12 2HD1 ILE 12 1.073 3.722 -10.664
114 H LEU 13 H LEU 13 -4.717 4.327 -6.638
115 HA LEU 13 HA LEU 13 -5.561 1.578 -6.004
116 HB2 LEU 13 1HB LEU 13 -6.611 4.260 -5.065
117 HB3 LEU 13 2HB LEU 13 -7.165 2.687 -4.491
118 HG LEU 13 HG LEU 13 -4.294 3.655 -4.300
119 HD11 LEU 13 1HD1 LEU 13 -4.831 3.908 -1.859
120 HD12 LEU 13 2HD1 LEU 13 -6.530 3.632 -2.248
121 HD13 LEU 13 3HD1 LEU 13 -5.696 5.049 -2.889
122 HD21 LEU 13 3HD2 LEU 13 -4.176 1.319 -4.168
123 HD22 LEU 13 1HD2 LEU 13 -5.766 1.170 -3.421
124 HD23 LEU 13 2HD2 LEU 13 -4.395 1.743 -2.474
Start of MODEL 32
1 H1 GLU 1 1H GLU 1 -5.130 -4.278 7.824
2 H2 GLU 1 2H GLU 1 -5.091 -2.651 8.309
3 H3 GLU 1 3H GLU 1 -4.183 -3.812 9.153
4 HA GLU 1 HA GLU 1 -2.716 -4.134 7.336
5 HB2 GLU 1 1HB GLU 1 -3.131 -2.528 5.304
6 HB3 GLU 1 2HB GLU 1 -4.050 -4.027 5.407
7 HG2 GLU 1 1HG GLU 1 -5.097 -1.453 6.593
8 HG3 GLU 1 2HG GLU 1 -5.380 -1.874 4.904
9 H LEU 2 H LEU 2 -2.235 -2.907 9.551
10 HA LEU 2 HA LEU 2 -1.956 -0.082 9.467
11 HB2 LEU 2 1HB LEU 2 -0.742 -2.252 11.172
12 HB3 LEU 2 2HB LEU 2 -0.251 -0.573 11.362
13 HG LEU 2 HG LEU 2 -3.157 -1.435 11.450
14 HD11 LEU 2 1HD1 LEU 2 -2.139 -2.642 13.238
15 HD12 LEU 2 2HD1 LEU 2 -2.836 -1.201 13.976
16 HD13 LEU 2 3HD1 LEU 2 -1.102 -1.278 13.665
17 HD21 LEU 2 3HD2 LEU 2 -3.089 0.912 11.177
18 HD22 LEU 2 1HD2 LEU 2 -1.622 1.078 12.139
19 HD23 LEU 2 2HD2 LEU 2 -3.162 0.738 12.927
20 H TYR 3 H TYR 3 0.170 -2.775 8.679
21 HA TYR 3 HA TYR 3 2.349 -0.974 7.905
22 HB2 TYR 3 1HB TYR 3 2.940 -3.678 7.146
23 HB3 TYR 3 2HB TYR 3 3.625 -2.759 8.482
24 HD1 TYR 3 HD1 TYR 3 2.757 -2.982 10.757
25 HD2 TYR 3 HD2 TYR 3 1.072 -5.220 7.499
26 HE1 TYR 3 HE1 TYR 3 1.597 -4.467 12.372
27 HE2 TYR 3 HE2 TYR 3 -0.086 -6.701 9.114
28 HH TYR 3 HH TYR 3 -0.215 -7.308 11.279
29 H GLU 4 H GLU 4 1.485 0.122 6.167
30 HA GLU 4 HA GLU 4 0.601 -1.426 3.818
31 HB2 GLU 4 1HB GLU 4 -0.039 0.866 2.951
32 HB3 GLU 4 2HB GLU 4 -0.910 0.339 4.390
33 HG2 GLU 4 1HG GLU 4 0.636 1.645 5.804
34 HG3 GLU 4 2HG GLU 4 1.499 2.186 4.368
35 H ASN 5 H ASN 5 1.847 -1.649 2.045
36 HA ASN 5 HA ASN 5 4.476 -0.324 2.029
37 HB2 ASN 5 1HB ASN 5 3.420 -2.559 0.287
38 HB3 ASN 5 2HB ASN 5 5.086 -1.985 0.371
39 HD21 ASN 5 2HD2 ASN 5 3.610 -4.634 1.220
40 HD22 ASN 5 1HD2 ASN 5 4.217 -4.912 2.781
41 H LYS 6 H LYS 6 5.148 -0.143 -0.537
42 HA LYS 6 HA LYS 6 3.325 1.933 -1.545
43 HB2 LYS 6 1HB LYS 6 6.228 1.349 -2.136
44 HB3 LYS 6 2HB LYS 6 5.294 2.610 -2.930
45 HG2 LYS 6 1HG LYS 6 6.257 3.832 -1.197
46 HG3 LYS 6 2HG LYS 6 4.747 3.353 -0.433
47 HD2 LYS 6 1HD LYS 6 5.870 1.499 0.701
48 HD3 LYS 6 2HD LYS 6 7.367 1.838 -0.167
49 HE2 LYS 6 1HE LYS 6 5.996 3.794 1.699
50 HE3 LYS 6 2HE LYS 6 7.337 2.750 2.166
51 HZ1 LYS 6 3HZ LYS 6 7.790 5.148 1.340
52 HZ2 LYS 6 1HZ LYS 6 7.604 4.472 -0.203
53 HZ3 LYS 6 2HZ LYS 6 8.806 3.881 0.840
54 HA PRO 7 HA PRO 7 3.613 -0.768 -5.402
55 HB2 PRO 7 1HB PRO 7 5.108 -2.912 -5.512
56 HB3 PRO 7 2HB PRO 7 5.876 -1.329 -5.268
57 HG2 PRO 7 1HG PRO 7 5.383 -3.506 -3.293
58 HG3 PRO 7 2HG PRO 7 6.746 -2.375 -3.402
59 HD2 PRO 7 1HD PRO 7 4.341 -2.073 -1.801
60 HD3 PRO 7 2HD PRO 7 5.697 -0.931 -1.962
61 H ARG 8 H ARG 8 2.955 -2.360 -2.452
62 HA ARG 8 HA ARG 8 1.195 -4.375 -3.686
63 HB2 ARG 8 1HB ARG 8 2.435 -5.629 -2.184
64 HB3 ARG 8 2HB ARG 8 2.839 -4.231 -1.206
65 HG2 ARG 8 1HG ARG 8 1.393 -5.965 -0.083
66 HG3 ARG 8 2HG ARG 8 0.786 -4.325 -0.037
67 HD2 ARG 8 1HD ARG 8 -1.138 -4.979 -1.057
68 HD3 ARG 8 2HD ARG 8 -0.235 -5.667 -2.404
69 HE ARG 8 HE ARG 8 -0.261 -7.310 -0.012
70 HH11 ARG 8 1HH2 ARG 8 -1.778 -6.469 -3.015
71 HH12 ARG 8 2HH2 ARG 8 -2.602 -7.984 -3.174
72 HH21 ARG 8 1HH1 ARG 8 -1.350 -9.310 -0.242
73 HH22 ARG 8 2HH1 ARG 8 -2.377 -9.565 -1.613
74 H ARG 9 H ARG 9 1.582 -1.678 -1.555
75 HA ARG 9 HA ARG 9 -1.329 -1.265 -1.444
76 HB2 ARG 9 1HB ARG 9 0.811 -1.014 0.600
77 HB3 ARG 9 2HB ARG 9 -0.516 0.138 0.694
78 HG2 ARG 9 1HG ARG 9 -0.727 -2.885 0.784
79 HG3 ARG 9 2HG ARG 9 -0.973 -1.788 2.128
80 HD2 ARG 9 1HD ARG 9 -2.790 -2.474 -0.119
81 HD3 ARG 9 2HD ARG 9 -3.176 -2.027 1.539
82 HE ARG 9 HE ARG 9 -2.152 0.152 -0.090
83 HH11 ARG 9 1HH2 ARG 9 -4.881 -1.659 1.004
84 HH12 ARG 9 2HH2 ARG 9 -6.025 -0.392 0.715
85 HH21 ARG 9 1HH1 ARG 9 -3.641 1.821 -0.505
86 HH22 ARG 9 2HH1 ARG 9 -5.318 1.589 -0.143
87 HA PRO 10 HA PRO 10 1.086 2.296 -3.493
88 HB2 PRO 10 1HB PRO 10 0.033 2.010 -6.042
89 HB3 PRO 10 2HB PRO 10 1.546 1.245 -5.520
90 HG2 PRO 10 1HG PRO 10 -1.191 0.075 -5.703
91 HG3 PRO 10 2HG PRO 10 0.378 -0.637 -6.131
92 HD2 PRO 10 1HD PRO 10 -0.884 -1.259 -3.816
93 HD3 PRO 10 2HD PRO 10 0.879 -1.168 -3.939
94 H TYR 11 H TYR 11 0.171 4.330 -3.951
95 HA TYR 11 HA TYR 11 -2.416 4.805 -2.888
96 HB2 TYR 11 1HB TYR 11 -2.030 7.131 -3.562
97 HB3 TYR 11 2HB TYR 11 -0.580 6.460 -2.814
98 HD1 TYR 11 HD1 TYR 11 1.384 5.877 -4.152
99 HD2 TYR 11 HD2 TYR 11 -2.117 7.584 -5.961
100 HE1 TYR 11 HE1 TYR 11 2.679 6.344 -6.219
101 HE2 TYR 11 HE2 TYR 11 -0.827 8.053 -8.025
102 HH TYR 11 HH TYR 11 1.731 6.699 -8.944
103 H ILE 12 H ILE 12 -1.394 3.743 -5.928
104 HA ILE 12 HA ILE 12 -3.264 4.995 -7.633
105 HB ILE 12 HB ILE 12 -1.863 2.317 -7.829
106 HG12 ILE 12 1HG1 ILE 12 -1.390 4.925 -9.305
107 HG13 ILE 12 2HG1 ILE 12 -0.518 4.465 -7.840
108 HG21 ILE 12 1HG2 ILE 12 -2.477 2.581 -10.298
109 HG22 ILE 12 2HG2 ILE 12 -3.644 3.798 -9.780
110 HG23 ILE 12 3HG2 ILE 12 -3.800 2.132 -9.222
111 HD11 ILE 12 3HD1 ILE 12 0.666 3.884 -10.004
112 HD12 ILE 12 1HD1 ILE 12 -0.625 2.722 -10.313
113 HD13 ILE 12 2HD1 ILE 12 0.422 2.528 -8.906
114 H LEU 13 H LEU 13 -3.414 1.996 -5.745
115 HA LEU 13 HA LEU 13 -6.088 1.366 -6.634
116 HB2 LEU 13 1HB LEU 13 -4.456 0.245 -4.341
117 HB3 LEU 13 2HB LEU 13 -5.974 -0.420 -4.934
118 HG LEU 13 HG LEU 13 -3.477 -0.097 -6.634
119 HD11 LEU 13 1HD1 LEU 13 -4.602 -2.476 -5.135
120 HD12 LEU 13 2HD1 LEU 13 -2.994 -1.766 -4.981
121 HD13 LEU 13 3HD1 LEU 13 -3.440 -2.631 -6.452
122 HD21 LEU 13 3HD2 LEU 13 -4.867 -1.865 -8.001
123 HD22 LEU 13 1HD2 LEU 13 -5.287 -0.161 -8.138
124 HD23 LEU 13 2HD2 LEU 13 -6.239 -1.224 -7.101
Start of MODEL 33
1 H1 GLU 1 1H GLU 1 -3.249 -4.391 6.678
2 H2 GLU 1 2H GLU 1 -3.758 -5.576 7.784
3 H3 GLU 1 3H GLU 1 -2.795 -6.010 6.452
4 HA GLU 1 HA GLU 1 -1.735 -5.735 8.802
5 HB2 GLU 1 1HB GLU 1 -0.577 -6.223 6.621
6 HB3 GLU 1 2HB GLU 1 -0.470 -4.483 6.345
7 HG2 GLU 1 1HG GLU 1 0.785 -4.230 8.458
8 HG3 GLU 1 2HG GLU 1 0.699 -5.970 8.715
9 H LEU 2 H LEU 2 -0.811 -4.171 10.173
10 HA LEU 2 HA LEU 2 -2.158 -1.670 10.297
11 HB2 LEU 2 1HB LEU 2 0.309 -2.692 11.719
12 HB3 LEU 2 2HB LEU 2 -0.475 -1.161 12.098
13 HG LEU 2 HG LEU 2 -1.861 -3.860 12.180
14 HD11 LEU 2 1HD1 LEU 2 -1.616 -3.796 14.568
15 HD12 LEU 2 2HD1 LEU 2 -0.948 -2.166 14.518
16 HD13 LEU 2 3HD1 LEU 2 -0.013 -3.521 13.886
17 HD21 LEU 2 3HD2 LEU 2 -3.408 -2.298 13.707
18 HD22 LEU 2 1HD2 LEU 2 -3.615 -2.345 11.960
19 HD23 LEU 2 2HD2 LEU 2 -2.719 -1.022 12.705
20 H TYR 3 H TYR 3 1.078 -2.646 9.251
21 HA TYR 3 HA TYR 3 1.752 0.092 8.464
22 HB2 TYR 3 1HB TYR 3 3.474 -1.299 9.540
23 HB3 TYR 3 2HB TYR 3 3.331 -2.485 8.242
24 HD1 TYR 3 HD1 TYR 3 4.392 0.958 9.090
25 HD2 TYR 3 HD2 TYR 3 4.257 -2.073 6.050
26 HE1 TYR 3 HE1 TYR 3 5.992 2.264 7.716
27 HE2 TYR 3 HE2 TYR 3 5.858 -0.767 4.676
28 HH TYR 3 HH TYR 3 6.542 2.429 5.195
29 H GLU 4 H GLU 4 1.347 0.845 6.495
30 HA GLU 4 HA GLU 4 0.638 -1.035 4.332
31 HB2 GLU 4 1HB GLU 4 -0.241 1.015 3.206
32 HB3 GLU 4 2HB GLU 4 -1.024 0.674 4.747
33 HG2 GLU 4 1HG GLU 4 0.555 2.304 5.831
34 HG3 GLU 4 2HG GLU 4 1.154 2.718 4.225
35 H ASN 5 H ASN 5 1.958 -1.354 2.622
36 HA ASN 5 HA ASN 5 4.416 0.271 2.475
37 HB2 ASN 5 1HB ASN 5 4.560 -2.221 2.669
38 HB3 ASN 5 2HB ASN 5 3.816 -2.346 1.090
39 HD21 ASN 5 2HD2 ASN 5 5.846 -3.324 0.255
40 HD22 ASN 5 1HD2 ASN 5 7.193 -2.342 -0.061
41 H LYS 6 H LYS 6 5.102 -0.083 -0.193
42 HA LYS 6 HA LYS 6 3.252 1.807 -1.439
43 HB2 LYS 6 1HB LYS 6 5.938 0.963 -2.473
44 HB3 LYS 6 2HB LYS 6 5.042 2.447 -2.808
45 HG2 LYS 6 1HG LYS 6 5.178 2.783 -0.188
46 HG3 LYS 6 2HG LYS 6 6.525 1.651 -0.310
47 HD2 LYS 6 1HD LYS 6 7.616 3.105 -1.958
48 HD3 LYS 6 2HD LYS 6 6.255 4.222 -1.881
49 HE2 LYS 6 1HE LYS 6 8.031 5.070 -0.451
50 HE3 LYS 6 2HE LYS 6 6.700 4.517 0.567
51 HZ1 LYS 6 3HZ LYS 6 9.325 3.713 0.703
52 HZ2 LYS 6 1HZ LYS 6 8.511 2.402 -0.001
53 HZ3 LYS 6 2HZ LYS 6 8.001 3.006 1.503
54 HA PRO 7 HA PRO 7 3.154 -1.454 -4.842
55 HB2 PRO 7 1HB PRO 7 4.401 -3.769 -4.628
56 HB3 PRO 7 2HB PRO 7 5.332 -2.262 -4.758
57 HG2 PRO 7 1HG PRO 7 4.865 -3.983 -2.381
58 HG3 PRO 7 2HG PRO 7 6.257 -2.958 -2.773
59 HD2 PRO 7 1HD PRO 7 3.936 -2.267 -1.144
60 HD3 PRO 7 2HD PRO 7 5.369 -1.269 -1.496
61 H ARG 8 H ARG 8 2.294 -2.206 -1.702
62 HA ARG 8 HA ARG 8 0.374 -4.317 -2.501
63 HB2 ARG 8 1HB ARG 8 0.246 -4.961 -0.216
64 HB3 ARG 8 2HB ARG 8 1.965 -4.725 -0.512
65 HG2 ARG 8 1HG ARG 8 1.649 -2.359 0.387
66 HG3 ARG 8 2HG ARG 8 0.058 -2.882 0.917
67 HD2 ARG 8 1HD ARG 8 2.635 -4.265 1.686
68 HD3 ARG 8 2HD ARG 8 1.774 -3.122 2.712
69 HE ARG 8 HE ARG 8 -0.088 -5.049 2.015
70 HH11 ARG 8 1HH2 ARG 8 3.002 -4.910 3.564
71 HH12 ARG 8 2HH2 ARG 8 2.698 -6.267 4.598
72 HH21 ARG 8 1HH1 ARG 8 -0.494 -6.828 3.366
73 HH22 ARG 8 2HH1 ARG 8 0.717 -7.350 4.489
74 H ARG 9 H ARG 9 0.951 -1.200 -1.102
75 HA ARG 9 HA ARG 9 -1.895 -0.508 -1.352
76 HB2 ARG 9 1HB ARG 9 0.088 0.009 0.799
77 HB3 ARG 9 2HB ARG 9 -1.107 1.262 0.496
78 HG2 ARG 9 1HG ARG 9 -1.850 -1.644 0.938
79 HG3 ARG 9 2HG ARG 9 -1.737 -0.493 2.259
80 HD2 ARG 9 1HD ARG 9 -3.721 -0.605 0.002
81 HD3 ARG 9 2HD ARG 9 -4.010 -0.438 1.724
82 HE ARG 9 HE ARG 9 -3.620 1.699 -0.124
83 HH11 ARG 9 1HH2 ARG 9 -2.937 0.624 3.094
84 HH12 ARG 9 2HH2 ARG 9 -2.841 2.223 3.756
85 HH21 ARG 9 1HH1 ARG 9 -3.498 3.799 0.739
86 HH22 ARG 9 2HH1 ARG 9 -3.159 4.019 2.422
87 HA PRO 10 HA PRO 10 1.090 2.257 -3.869
88 HB2 PRO 10 1HB PRO 10 0.213 1.469 -6.387
89 HB3 PRO 10 2HB PRO 10 1.624 0.773 -5.570
90 HG2 PRO 10 1HG PRO 10 -1.149 -0.288 -5.785
91 HG3 PRO 10 2HG PRO 10 0.401 -1.150 -5.819
92 HD2 PRO 10 1HD PRO 10 -1.186 -1.114 -3.613
93 HD3 PRO 10 2HD PRO 10 0.581 -1.183 -3.520
94 H TYR 11 H TYR 11 0.454 4.114 -5.113
95 HA TYR 11 HA TYR 11 -2.192 5.056 -4.474
96 HB2 TYR 11 1HB TYR 11 -0.144 6.383 -6.260
97 HB3 TYR 11 2HB TYR 11 -1.474 7.152 -5.392
98 HD1 TYR 11 HD1 TYR 11 -1.482 6.999 -2.820
99 HD2 TYR 11 HD2 TYR 11 1.964 6.119 -5.228
100 HE1 TYR 11 HE1 TYR 11 -0.020 7.299 -0.838
101 HE2 TYR 11 HE2 TYR 11 3.426 6.419 -3.248
102 HH TYR 11 HH TYR 11 3.413 6.536 -0.956
103 H ILE 12 H ILE 12 -1.543 2.810 -6.508
104 HA ILE 12 HA ILE 12 -2.317 3.658 -9.080
105 HB ILE 12 HB ILE 12 -1.272 1.443 -8.485
106 HG12 ILE 12 1HG1 ILE 12 -3.883 1.214 -10.015
107 HG13 ILE 12 2HG1 ILE 12 -2.420 1.943 -10.678
108 HG21 ILE 12 1HG2 ILE 12 -4.096 0.632 -7.769
109 HG22 ILE 12 2HG2 ILE 12 -2.896 1.063 -6.555
110 HG23 ILE 12 3HG2 ILE 12 -2.625 -0.324 -7.610
111 HD11 ILE 12 3HD1 ILE 12 -1.224 -0.237 -10.109
112 HD12 ILE 12 1HD1 ILE 12 -2.411 -0.335 -11.410
113 HD13 ILE 12 2HD1 ILE 12 -2.820 -0.924 -9.798
114 H LEU 13 H LEU 13 -4.121 2.961 -6.194
115 HA LEU 13 HA LEU 13 -6.687 2.716 -7.489
116 HB2 LEU 13 1HB LEU 13 -6.022 3.253 -4.583
117 HB3 LEU 13 2HB LEU 13 -7.577 2.714 -5.216
118 HG LEU 13 HG LEU 13 -4.979 1.160 -5.480
119 HD11 LEU 13 1HD1 LEU 13 -5.812 -0.263 -3.717
120 HD12 LEU 13 2HD1 LEU 13 -7.355 0.593 -3.681
121 HD13 LEU 13 3HD1 LEU 13 -5.888 1.398 -3.127
122 HD21 LEU 13 3HD2 LEU 13 -6.369 0.438 -7.246
123 HD22 LEU 13 1HD2 LEU 13 -7.846 0.667 -6.310
124 HD23 LEU 13 2HD2 LEU 13 -6.778 -0.692 -5.959
Start of MODEL 34
1 H1 GLU 1 1H GLU 1 -4.091 -1.363 9.302
2 H2 GLU 1 2H GLU 1 -5.061 -2.754 9.182
3 H3 GLU 1 3H GLU 1 -4.976 -1.659 7.885
4 HA GLU 1 HA GLU 1 -3.399 -3.906 8.329
5 HB2 GLU 1 1HB GLU 1 -4.196 -2.987 6.155
6 HB3 GLU 1 2HB GLU 1 -3.080 -1.633 6.345
7 HG2 GLU 1 1HG GLU 1 -1.176 -3.182 6.382
8 HG3 GLU 1 2HG GLU 1 -2.274 -4.555 6.248
9 H LEU 2 H LEU 2 -1.693 -4.086 9.643
10 HA LEU 2 HA LEU 2 -0.240 -1.875 10.681
11 HB2 LEU 2 1HB LEU 2 0.365 -4.837 10.617
12 HB3 LEU 2 2HB LEU 2 1.353 -3.663 11.480
13 HG LEU 2 HG LEU 2 -1.622 -4.021 11.946
14 HD11 LEU 2 1HD1 LEU 2 0.725 -5.143 13.506
15 HD12 LEU 2 2HD1 LEU 2 -0.409 -6.079 12.531
16 HD13 LEU 2 3HD1 LEU 2 -0.968 -5.254 13.987
17 HD21 LEU 2 3HD2 LEU 2 -1.110 -1.911 12.814
18 HD22 LEU 2 1HD2 LEU 2 0.552 -2.351 13.202
19 HD23 LEU 2 2HD2 LEU 2 -0.774 -2.921 14.212
20 H TYR 3 H TYR 3 0.401 -4.195 8.082
21 HA TYR 3 HA TYR 3 2.943 -2.892 7.431
22 HB2 TYR 3 1HB TYR 3 1.514 -5.259 6.197
23 HB3 TYR 3 2HB TYR 3 3.105 -4.673 5.711
24 HD1 TYR 3 HD1 TYR 3 1.163 -6.219 8.458
25 HD2 TYR 3 HD2 TYR 3 5.059 -5.052 7.073
26 HE1 TYR 3 HE1 TYR 3 2.206 -7.525 10.291
27 HE2 TYR 3 HE2 TYR 3 6.101 -6.357 8.907
28 HH TYR 3 HH TYR 3 4.964 -7.155 11.471
29 H GLU 4 H GLU 4 2.094 -0.839 6.808
30 HA GLU 4 HA GLU 4 0.444 -0.754 4.364
31 HB2 GLU 4 1HB GLU 4 -0.207 0.638 6.323
32 HB3 GLU 4 2HB GLU 4 1.339 1.475 6.215
33 HG2 GLU 4 1HG GLU 4 -0.284 2.840 5.087
34 HG3 GLU 4 2HG GLU 4 0.720 2.112 3.839
35 H ASN 5 H ASN 5 2.051 -1.374 2.819
36 HA ASN 5 HA ASN 5 4.412 0.383 2.607
37 HB2 ASN 5 1HB ASN 5 3.729 -2.240 1.269
38 HB3 ASN 5 2HB ASN 5 5.175 -1.296 0.924
39 HD21 ASN 5 2HD2 ASN 5 5.403 -0.442 3.825
40 HD22 ASN 5 1HD2 ASN 5 5.992 -1.815 4.632
41 H LYS 6 H LYS 6 4.961 0.436 -0.010
42 HA LYS 6 HA LYS 6 2.812 2.134 -1.062
43 HB2 LYS 6 1HB LYS 6 5.577 1.876 -2.193
44 HB3 LYS 6 2HB LYS 6 4.452 3.232 -2.305
45 HG2 LYS 6 1HG LYS 6 4.633 3.209 0.343
46 HG3 LYS 6 2HG LYS 6 6.145 2.356 0.026
47 HD2 LYS 6 1HD LYS 6 6.844 4.208 -1.471
48 HD3 LYS 6 2HD LYS 6 5.355 5.063 -1.069
49 HE2 LYS 6 1HE LYS 6 7.615 4.330 0.807
50 HE3 LYS 6 2HE LYS 6 7.068 5.948 0.370
51 HZ1 LYS 6 3HZ LYS 6 4.822 4.733 1.305
52 HZ2 LYS 6 1HZ LYS 6 5.794 5.818 2.172
53 HZ3 LYS 6 2HZ LYS 6 6.034 4.144 2.340
54 HA PRO 7 HA PRO 7 3.286 -0.836 -4.734
55 HB2 PRO 7 1HB PRO 7 4.639 -3.075 -4.550
56 HB3 PRO 7 2HB PRO 7 5.504 -1.524 -4.466
57 HG2 PRO 7 1HG PRO 7 4.786 -3.403 -2.263
58 HG3 PRO 7 2HG PRO 7 6.250 -2.423 -2.472
59 HD2 PRO 7 1HD PRO 7 3.892 -1.709 -0.964
60 HD3 PRO 7 2HD PRO 7 5.309 -0.683 -1.311
61 H ARG 8 H ARG 8 2.274 -1.798 -1.695
62 HA ARG 8 HA ARG 8 0.516 -3.951 -2.725
63 HB2 ARG 8 1HB ARG 8 0.267 -4.714 -0.479
64 HB3 ARG 8 2HB ARG 8 1.990 -4.411 -0.673
65 HG2 ARG 8 1HG ARG 8 1.618 -2.142 0.357
66 HG3 ARG 8 2HG ARG 8 -0.031 -2.645 0.710
67 HD2 ARG 8 1HD ARG 8 2.426 -4.154 1.619
68 HD3 ARG 8 2HD ARG 8 1.520 -3.033 2.629
69 HE ARG 8 HE ARG 8 -0.310 -4.887 1.627
70 HH11 ARG 8 1HH2 ARG 8 2.522 -4.802 3.610
71 HH12 ARG 8 2HH2 ARG 8 2.056 -6.162 4.576
72 HH21 ARG 8 1HH1 ARG 8 -0.931 -6.670 2.889
73 HH22 ARG 8 2HH1 ARG 8 0.099 -7.218 4.169
74 H ARG 9 H ARG 9 0.838 -0.870 -1.186
75 HA ARG 9 HA ARG 9 -2.031 -0.334 -1.537
76 HB2 ARG 9 1HB ARG 9 -0.177 0.174 0.718
77 HB3 ARG 9 2HB ARG 9 -1.356 1.435 0.397
78 HG2 ARG 9 1HG ARG 9 -2.013 -1.497 0.860
79 HG3 ARG 9 2HG ARG 9 -2.172 -0.230 2.066
80 HD2 ARG 9 1HD ARG 9 -3.895 -0.839 -0.286
81 HD3 ARG 9 2HD ARG 9 -4.340 -0.202 1.291
82 HE ARG 9 HE ARG 9 -3.063 1.909 0.261
83 HH11 ARG 9 1HH2 ARG 9 -5.369 -0.270 -1.134
84 HH12 ARG 9 2HH2 ARG 9 -6.024 0.907 -2.220
85 HH21 ARG 9 1HH1 ARG 9 -3.923 3.452 -1.158
86 HH22 ARG 9 2HH1 ARG 9 -5.209 3.013 -2.234
87 HA PRO 10 HA PRO 10 0.886 2.719 -3.794
88 HB2 PRO 10 1HB PRO 10 0.316 1.937 -6.394
89 HB3 PRO 10 2HB PRO 10 1.693 1.319 -5.463
90 HG2 PRO 10 1HG PRO 10 -0.967 0.071 -5.951
91 HG3 PRO 10 2HG PRO 10 0.641 -0.677 -5.884
92 HD2 PRO 10 1HD PRO 10 -1.113 -0.831 -3.811
93 HD3 PRO 10 2HD PRO 10 0.640 -0.773 -3.578
94 H TYR 11 H TYR 11 0.157 4.594 -4.915
95 HA TYR 11 HA TYR 11 -2.529 5.336 -4.427
96 HB2 TYR 11 1HB TYR 11 -0.452 6.619 -6.219
97 HB3 TYR 11 2HB TYR 11 -1.966 7.374 -5.718
98 HD1 TYR 11 HD2 TYR 11 1.326 6.141 -4.568
99 HD2 TYR 11 HD1 TYR 11 -2.283 8.192 -3.462
100 HE1 TYR 11 HE2 TYR 11 2.395 6.881 -2.455
101 HE2 TYR 11 HE1 TYR 11 -1.215 8.933 -1.350
102 HH TYR 11 HH TYR 11 2.196 8.457 -0.751
103 H ILE 12 H ILE 12 -1.137 3.521 -6.932
104 HA ILE 12 HA ILE 12 -2.748 4.268 -9.134
105 HB ILE 12 HB ILE 12 -1.615 1.530 -8.516
106 HG12 ILE 12 1HG1 ILE 12 0.164 3.188 -8.369
107 HG13 ILE 12 2HG1 ILE 12 0.333 2.301 -9.881
108 HG21 ILE 12 1HG2 ILE 12 -3.212 1.497 -10.347
109 HG22 ILE 12 2HG2 ILE 12 -1.585 1.347 -11.009
110 HG23 ILE 12 3HG2 ILE 12 -2.436 2.891 -11.097
111 HD11 ILE 12 3HD1 ILE 12 -1.107 4.259 -10.886
112 HD12 ILE 12 1HD1 ILE 12 0.608 4.518 -10.577
113 HD13 ILE 12 2HD1 ILE 12 -0.595 5.129 -9.443
114 H LEU 13 H LEU 13 -3.175 1.840 -6.586
115 HA LEU 13 HA LEU 13 -5.731 0.961 -7.602
116 HB2 LEU 13 1HB LEU 13 -4.415 0.490 -4.916
117 HB3 LEU 13 2HB LEU 13 -5.824 -0.369 -5.537
118 HG LEU 13 HG LEU 13 -3.090 -0.343 -6.853
119 HD11 LEU 13 1HD1 LEU 13 -2.775 -2.545 -5.979
120 HD12 LEU 13 2HD1 LEU 13 -4.447 -2.642 -5.427
121 HD13 LEU 13 3HD1 LEU 13 -3.313 -1.562 -4.617
122 HD21 LEU 13 3HD2 LEU 13 -5.753 -1.582 -7.543
123 HD22 LEU 13 1HD2 LEU 13 -4.267 -2.409 -8.010
124 HD23 LEU 13 2HD2 LEU 13 -4.591 -0.783 -8.601
Start of MODEL 35
1 H1 GLU 1 1H GLU 1 -4.864 -2.900 6.464
2 H2 GLU 1 2H GLU 1 -4.314 -1.878 7.705
3 H3 GLU 1 3H GLU 1 -5.101 -3.334 8.087
4 HA GLU 1 HA GLU 1 -3.272 -4.576 7.804
5 HB2 GLU 1 1HB GLU 1 -3.333 -4.109 5.351
6 HB3 GLU 1 2HB GLU 1 -2.395 -2.642 5.636
7 HG2 GLU 1 1HG GLU 1 -0.566 -3.976 6.590
8 HG3 GLU 1 2HG GLU 1 -1.505 -5.449 6.356
9 H LEU 2 H LEU 2 -1.511 -4.524 9.124
10 HA LEU 2 HA LEU 2 -0.945 -2.163 10.602
11 HB2 LEU 2 1HB LEU 2 0.511 -4.806 10.390
12 HB3 LEU 2 2HB LEU 2 0.961 -3.534 11.523
13 HG LEU 2 HG LEU 2 -1.810 -4.767 11.391
14 HD11 LEU 2 1HD1 LEU 2 -0.219 -6.498 12.010
15 HD12 LEU 2 2HD1 LEU 2 -1.097 -5.997 13.454
16 HD13 LEU 2 3HD1 LEU 2 0.548 -5.426 13.182
17 HD21 LEU 2 3HD2 LEU 2 -0.442 -2.763 13.187
18 HD22 LEU 2 1HD2 LEU 2 -1.688 -3.810 13.864
19 HD23 LEU 2 2HD2 LEU 2 -2.076 -2.736 12.526
20 H TYR 3 H TYR 3 0.754 -3.864 7.996
21 HA TYR 3 HA TYR 3 2.839 -1.804 7.914
22 HB2 TYR 3 1HB TYR 3 2.449 -4.366 6.351
23 HB3 TYR 3 2HB TYR 3 3.803 -3.257 6.127
24 HD1 TYR 3 HD1 TYR 3 2.168 -5.597 8.485
25 HD2 TYR 3 HD2 TYR 3 5.576 -3.091 7.753
26 HE1 TYR 3 HE1 TYR 3 3.356 -6.659 10.386
27 HE2 TYR 3 HE2 TYR 3 6.763 -4.150 9.656
28 HH TYR 3 HH TYR 3 6.742 -5.969 11.048
29 H GLU 4 H GLU 4 2.479 -0.009 6.790
30 HA GLU 4 HA GLU 4 0.608 -0.055 4.505
31 HB2 GLU 4 1HB GLU 4 0.266 1.637 6.303
32 HB3 GLU 4 2HB GLU 4 1.855 2.309 5.930
33 HG2 GLU 4 1HG GLU 4 1.143 2.798 3.638
34 HG3 GLU 4 2HG GLU 4 -0.430 2.065 3.952
35 H ASN 5 H ASN 5 2.092 -1.114 3.073
36 HA ASN 5 HA ASN 5 4.591 0.250 2.423
37 HB2 ASN 5 1HB ASN 5 3.332 -2.248 1.273
38 HB3 ASN 5 2HB ASN 5 4.951 -1.649 0.906
39 HD21 ASN 5 2HD2 ASN 5 3.596 -4.022 2.643
40 HD22 ASN 5 1HD2 ASN 5 4.622 -4.054 3.995
41 H LYS 6 H LYS 6 4.980 0.150 -0.149
42 HA LYS 6 HA LYS 6 2.982 1.992 -1.255
43 HB2 LYS 6 1HB LYS 6 5.766 1.395 -2.229
44 HB3 LYS 6 2HB LYS 6 4.725 2.738 -2.711
45 HG2 LYS 6 1HG LYS 6 4.656 3.297 -0.159
46 HG3 LYS 6 2HG LYS 6 6.083 2.263 -0.057
47 HD2 LYS 6 1HD LYS 6 7.228 3.645 -1.717
48 HD3 LYS 6 2HD LYS 6 5.791 4.648 -1.895
49 HE2 LYS 6 1HE LYS 6 6.017 5.008 0.686
50 HE3 LYS 6 2HE LYS 6 7.673 4.451 0.448
51 HZ1 LYS 6 3HZ LYS 6 8.137 6.522 -0.147
52 HZ2 LYS 6 1HZ LYS 6 6.501 6.962 -0.209
53 HZ3 LYS 6 2HZ LYS 6 7.240 6.256 -1.566
54 HA PRO 7 HA PRO 7 3.059 -1.203 -4.757
55 HB2 PRO 7 1HB PRO 7 4.301 -3.495 -4.537
56 HB3 PRO 7 2HB PRO 7 5.252 -1.994 -4.525
57 HG2 PRO 7 1HG PRO 7 4.497 -3.763 -2.244
58 HG3 PRO 7 2HG PRO 7 6.006 -2.874 -2.523
59 HD2 PRO 7 1HD PRO 7 3.717 -1.983 -0.989
60 HD3 PRO 7 2HD PRO 7 5.198 -1.064 -1.369
61 H ARG 8 H ARG 8 2.160 -1.986 -1.639
62 HA ARG 8 HA ARG 8 0.236 -4.081 -2.442
63 HB2 ARG 8 1HB ARG 8 1.194 -5.029 -0.562
64 HB3 ARG 8 2HB ARG 8 1.777 -3.482 0.030
65 HG2 ARG 8 1HG ARG 8 0.056 -4.563 1.500
66 HG3 ARG 8 2HG ARG 8 -0.357 -2.940 0.969
67 HD2 ARG 8 1HD ARG 8 -2.314 -3.744 0.137
68 HD3 ARG 8 2HD ARG 8 -1.422 -4.782 -0.969
69 HE ARG 8 HE ARG 8 -1.400 -6.029 1.532
70 HH11 ARG 8 1HH2 ARG 8 -3.652 -4.983 -0.878
71 HH12 ARG 8 2HH2 ARG 8 -4.790 -6.251 -0.564
72 HH21 ARG 8 1HH1 ARG 8 -2.890 -7.691 1.955
73 HH22 ARG 8 2HH1 ARG 8 -4.362 -7.779 1.047
74 H ARG 9 H ARG 9 0.839 -0.975 -1.038
75 HA ARG 9 HA ARG 9 -2.004 -0.265 -1.239
76 HB2 ARG 9 1HB ARG 9 0.014 0.144 0.879
77 HB3 ARG 9 2HB ARG 9 -1.031 1.525 0.581
78 HG2 ARG 9 1HG ARG 9 -1.911 -1.289 1.307
79 HG3 ARG 9 2HG ARG 9 -1.981 0.124 2.347
80 HD2 ARG 9 1HD ARG 9 -3.400 1.002 0.161
81 HD3 ARG 9 2HD ARG 9 -3.809 -0.711 0.182
82 HE ARG 9 HE ARG 9 -4.615 1.277 2.118
83 HH11 ARG 9 1HH2 ARG 9 -3.954 -2.063 1.506
84 HH12 ARG 9 2HH2 ARG 9 -4.984 -2.643 2.772
85 HH21 ARG 9 1HH1 ARG 9 -5.971 0.524 3.781
86 HH22 ARG 9 2HH1 ARG 9 -6.127 -1.179 4.059
87 HA PRO 10 HA PRO 10 0.937 2.497 -3.818
88 HB2 PRO 10 1HB PRO 10 0.128 1.673 -6.334
89 HB3 PRO 10 2HB PRO 10 1.508 0.970 -5.473
90 HG2 PRO 10 1HG PRO 10 -1.279 -0.058 -5.725
91 HG3 PRO 10 2HG PRO 10 0.262 -0.939 -5.752
92 HD2 PRO 10 1HD PRO 10 -1.323 -0.883 -3.547
93 HD3 PRO 10 2HD PRO 10 0.440 -0.958 -3.454
94 H TYR 11 H TYR 11 0.286 4.385 -4.911
95 HA TYR 11 HA TYR 11 -2.321 5.337 -4.323
96 HB2 TYR 11 1HB TYR 11 -0.355 6.820 -4.503
97 HB3 TYR 11 2HB TYR 11 -0.247 6.459 -6.225
98 HD1 TYR 11 HD2 TYR 11 -2.439 7.953 -3.606
99 HD2 TYR 11 HD1 TYR 11 -1.636 7.564 -7.809
100 HE1 TYR 11 HE2 TYR 11 -4.094 9.737 -4.089
101 HE2 TYR 11 HE1 TYR 11 -3.287 9.349 -8.289
102 HH TYR 11 HH TYR 11 -5.297 10.338 -7.186
103 H ILE 12 H ILE 12 -1.099 3.445 -6.868
104 HA ILE 12 HA ILE 12 -2.720 4.262 -9.029
105 HB ILE 12 HB ILE 12 -1.765 1.461 -8.395
106 HG12 ILE 12 1HG1 ILE 12 0.119 3.002 -8.276
107 HG13 ILE 12 2HG1 ILE 12 0.223 2.077 -9.772
108 HG21 ILE 12 1HG2 ILE 12 -2.366 2.811 -11.045
109 HG22 ILE 12 2HG2 ILE 12 -3.428 1.659 -10.235
110 HG23 ILE 12 3HG2 ILE 12 -1.846 1.141 -10.815
111 HD11 ILE 12 3HD1 ILE 12 -0.526 4.969 -9.390
112 HD12 ILE 12 1HD1 ILE 12 -1.071 4.098 -10.823
113 HD13 ILE 12 2HD1 ILE 12 0.650 4.266 -10.495
114 H LEU 13 H LEU 13 -3.222 1.872 -6.458
115 HA LEU 13 HA LEU 13 -5.879 1.189 -7.373
116 HB2 LEU 13 1HB LEU 13 -4.381 0.538 -4.825
117 HB3 LEU 13 2HB LEU 13 -5.953 -0.131 -5.255
118 HG LEU 13 HG LEU 13 -3.469 -0.407 -6.973
119 HD11 LEU 13 1HD1 LEU 13 -3.262 -2.660 -6.105
120 HD12 LEU 13 2HD1 LEU 13 -4.735 -2.474 -5.152
121 HD13 LEU 13 3HD1 LEU 13 -3.294 -1.545 -4.738
122 HD21 LEU 13 3HD2 LEU 13 -5.284 -0.770 -8.415
123 HD22 LEU 13 1HD2 LEU 13 -6.301 -1.438 -7.138
124 HD23 LEU 13 2HD2 LEU 13 -4.990 -2.399 -7.820
Start of MODEL 36
1 H1 GLU 1 1H GLU 1 -2.938 0.377 8.979
2 H2 GLU 1 2H GLU 1 -4.487 -0.266 9.251
3 H3 GLU 1 3H GLU 1 -3.924 -0.040 7.664
4 HA GLU 1 HA GLU 1 -3.533 -2.246 9.437
5 HB2 GLU 1 1HB GLU 1 -4.423 -2.303 7.089
6 HB3 GLU 1 2HB GLU 1 -2.824 -1.829 6.515
7 HG2 GLU 1 1HG GLU 1 -2.957 -4.223 6.338
8 HG3 GLU 1 2HG GLU 1 -1.898 -3.868 7.697
9 H LEU 2 H LEU 2 -1.612 -3.308 9.902
10 HA LEU 2 HA LEU 2 0.669 -1.675 10.336
11 HB2 LEU 2 1HB LEU 2 0.241 -4.665 10.491
12 HB3 LEU 2 2HB LEU 2 1.764 -3.888 10.915
13 HG LEU 2 HG LEU 2 0.466 -2.428 12.530
14 HD11 LEU 2 1HD1 LEU 2 -1.781 -2.550 11.848
15 HD12 LEU 2 2HD1 LEU 2 -1.747 -3.601 13.260
16 HD13 LEU 2 3HD1 LEU 2 -1.729 -4.300 11.644
17 HD21 LEU 2 3HD2 LEU 2 0.391 -4.157 14.252
18 HD22 LEU 2 1HD2 LEU 2 1.775 -4.451 13.199
19 HD23 LEU 2 2HD2 LEU 2 0.312 -5.418 13.022
20 H TYR 3 H TYR 3 -0.123 -4.141 7.922
21 HA TYR 3 HA TYR 3 2.470 -3.904 6.628
22 HB2 TYR 3 1HB TYR 3 -0.034 -5.430 5.877
23 HB3 TYR 3 2HB TYR 3 1.494 -5.515 5.001
24 HD1 TYR 3 HD1 TYR 3 -0.213 -6.294 8.188
25 HD2 TYR 3 HD2 TYR 3 3.409 -6.680 5.913
26 HE1 TYR 3 HE1 TYR 3 0.618 -7.988 9.798
27 HE2 TYR 3 HE2 TYR 3 4.241 -8.373 7.521
28 HH TYR 3 HH TYR 3 3.606 -8.815 10.217
29 H GLU 4 H GLU 4 1.117 -1.437 6.746
30 HA GLU 4 HA GLU 4 -0.168 -0.942 4.201
31 HB2 GLU 4 1HB GLU 4 -0.793 0.306 6.252
32 HB3 GLU 4 2HB GLU 4 0.819 1.020 6.283
33 HG2 GLU 4 1HG GLU 4 0.432 2.033 4.078
34 HG3 GLU 4 2HG GLU 4 -1.164 1.288 4.002
35 H ASN 5 H ASN 5 1.439 -1.576 2.685
36 HA ASN 5 HA ASN 5 3.945 -0.018 2.681
37 HB2 ASN 5 1HB ASN 5 3.137 -2.347 0.946
38 HB3 ASN 5 2HB ASN 5 4.740 -1.625 1.066
39 HD21 ASN 5 2HD2 ASN 5 4.711 -1.263 3.966
40 HD22 ASN 5 1HD2 ASN 5 4.802 -2.810 4.657
41 H LYS 6 H LYS 6 4.677 0.300 0.222
42 HA LYS 6 HA LYS 6 2.674 2.115 -0.926
43 HB2 LYS 6 1HB LYS 6 5.643 1.906 -1.413
44 HB3 LYS 6 2HB LYS 6 4.578 3.140 -2.081
45 HG2 LYS 6 1HG LYS 6 4.690 2.694 0.905
46 HG3 LYS 6 2HG LYS 6 5.926 3.666 0.110
47 HD2 LYS 6 1HD LYS 6 4.087 5.070 -0.888
48 HD3 LYS 6 2HD LYS 6 2.936 4.171 0.100
49 HE2 LYS 6 1HE LYS 6 4.065 4.892 2.139
50 HE3 LYS 6 2HE LYS 6 5.305 5.714 1.192
51 HZ1 LYS 6 3HZ LYS 6 4.007 7.486 1.110
52 HZ2 LYS 6 1HZ LYS 6 2.803 6.686 1.998
53 HZ3 LYS 6 2HZ LYS 6 2.808 6.593 0.301
54 HA PRO 7 HA PRO 7 3.631 -0.457 -4.784
55 HB2 PRO 7 1HB PRO 7 5.224 -2.541 -4.725
56 HB3 PRO 7 2HB PRO 7 5.888 -0.926 -4.410
57 HG2 PRO 7 1HG PRO 7 5.282 -3.121 -2.486
58 HG3 PRO 7 2HG PRO 7 6.597 -1.930 -2.456
59 HD2 PRO 7 1HD PRO 7 4.029 -1.739 -1.116
60 HD3 PRO 7 2HD PRO 7 5.334 -0.526 -1.152
61 H ARG 8 H ARG 8 2.591 -1.919 -1.963
62 HA ARG 8 HA ARG 8 1.110 -4.083 -3.330
63 HB2 ARG 8 1HB ARG 8 2.059 -5.251 -1.577
64 HB3 ARG 8 2HB ARG 8 2.372 -3.793 -0.655
65 HG2 ARG 8 1HG ARG 8 0.032 -3.710 0.080
66 HG3 ARG 8 2HG ARG 8 -0.347 -5.120 -0.918
67 HD2 ARG 8 1HD ARG 8 1.665 -5.070 1.345
68 HD3 ARG 8 2HD ARG 8 0.023 -5.689 1.480
69 HE ARG 8 HE ARG 8 2.262 -6.986 0.155
70 HH11 ARG 8 1HH2 ARG 8 -1.168 -6.722 0.525
71 HH12 ARG 8 2HH2 ARG 8 -1.491 -8.328 -0.037
72 HH21 ARG 8 1HH1 ARG 8 1.846 -9.091 -0.586
73 HH22 ARG 8 2HH1 ARG 8 0.214 -9.668 -0.668
74 H ARG 9 H ARG 9 1.124 -1.248 -1.367
75 HA ARG 9 HA ARG 9 -1.780 -0.922 -1.702
76 HB2 ARG 9 1HB ARG 9 -0.057 -0.824 0.666
77 HB3 ARG 9 2HB ARG 9 -1.074 0.609 0.522
78 HG2 ARG 9 1HG ARG 9 -3.079 -0.670 0.569
79 HG3 ARG 9 2HG ARG 9 -2.224 -2.171 0.210
80 HD2 ARG 9 1HD ARG 9 -1.107 -2.060 2.400
81 HD3 ARG 9 2HD ARG 9 -1.967 -0.565 2.766
82 HE ARG 9 HE ARG 9 -3.852 -1.836 3.243
83 HH11 ARG 9 1HH2 ARG 9 -1.534 -3.670 1.445
84 HH12 ARG 9 2HH2 ARG 9 -2.382 -5.171 1.617
85 HH21 ARG 9 1HH1 ARG 9 -4.970 -3.801 3.476
86 HH22 ARG 9 2HH1 ARG 9 -4.327 -5.245 2.765
87 HA PRO 10 HA PRO 10 0.822 2.669 -3.486
88 HB2 PRO 10 1HB PRO 10 0.317 2.199 -6.165
89 HB3 PRO 10 2HB PRO 10 1.735 1.555 -5.315
90 HG2 PRO 10 1HG PRO 10 -0.843 0.209 -5.974
91 HG3 PRO 10 2HG PRO 10 0.814 -0.424 -6.034
92 HD2 PRO 10 1HD PRO 10 -0.869 -1.008 -3.986
93 HD3 PRO 10 2HD PRO 10 0.879 -0.838 -3.764
94 H TYR 11 H TYR 11 -0.072 4.596 -4.334
95 HA TYR 11 HA TYR 11 -2.828 5.013 -3.802
96 HB2 TYR 11 1HB TYR 11 -1.152 6.796 -3.565
97 HB3 TYR 11 2HB TYR 11 -0.859 6.757 -5.303
98 HD1 TYR 11 HD2 TYR 11 -3.482 7.378 -2.727
99 HD2 TYR 11 HD1 TYR 11 -2.275 7.924 -6.814
100 HE1 TYR 11 HE2 TYR 11 -5.380 8.935 -3.080
101 HE2 TYR 11 HE1 TYR 11 -4.174 9.480 -7.167
102 HH TYR 11 HH TYR 11 -5.684 11.044 -5.042
103 H ILE 12 H ILE 12 -1.183 3.822 -6.532
104 HA ILE 12 HA ILE 12 -2.817 4.766 -8.631
105 HB ILE 12 HB ILE 12 -1.215 2.212 -8.340
106 HG12 ILE 12 1HG1 ILE 12 -0.653 4.712 -9.958
107 HG13 ILE 12 2HG1 ILE 12 -0.050 4.477 -8.318
108 HG21 ILE 12 1HG2 ILE 12 -2.849 1.767 -10.033
109 HG22 ILE 12 2HG2 ILE 12 -1.379 2.233 -10.890
110 HG23 ILE 12 3HG2 ILE 12 -2.696 3.391 -10.703
111 HD11 ILE 12 3HD1 ILE 12 1.636 3.790 -9.986
112 HD12 ILE 12 1HD1 ILE 12 0.489 2.636 -10.668
113 HD13 ILE 12 2HD1 ILE 12 1.097 2.413 -9.027
114 H LEU 13 H LEU 13 -3.046 1.895 -6.556
115 HA LEU 13 HA LEU 13 -5.468 0.960 -7.824
116 HB2 LEU 13 1HB LEU 13 -4.100 0.145 -5.249
117 HB3 LEU 13 2HB LEU 13 -5.483 -0.687 -5.957
118 HG LEU 13 HG LEU 13 -2.825 -0.276 -7.362
119 HD11 LEU 13 1HD1 LEU 13 -2.475 -1.773 -5.507
120 HD12 LEU 13 2HD1 LEU 13 -2.592 -2.765 -6.961
121 HD13 LEU 13 3HD1 LEU 13 -3.966 -2.647 -5.860
122 HD21 LEU 13 3HD2 LEU 13 -5.432 -1.600 -8.101
123 HD22 LEU 13 1HD2 LEU 13 -3.927 -2.279 -8.722
124 HD23 LEU 13 2HD2 LEU 13 -4.359 -0.615 -9.095
Start of MODEL 37
1 H1 GLU 1 1H GLU 1 -3.157 -5.686 9.355
2 H2 GLU 1 2H GLU 1 -3.920 -5.910 7.854
3 H3 GLU 1 3H GLU 1 -4.201 -4.494 8.749
4 HA GLU 1 HA GLU 1 -1.500 -5.229 7.795
5 HB2 GLU 1 1HB GLU 1 -2.050 -3.476 5.968
6 HB3 GLU 1 2HB GLU 1 -2.700 -5.102 5.762
7 HG2 GLU 1 1HG GLU 1 -4.858 -4.410 6.638
8 HG3 GLU 1 2HG GLU 1 -4.237 -2.805 7.016
9 H LEU 2 H LEU 2 -0.967 -4.348 9.943
10 HA LEU 2 HA LEU 2 -1.659 -1.690 10.689
11 HB2 LEU 2 1HB LEU 2 0.664 -3.452 11.500
12 HB3 LEU 2 2HB LEU 2 0.301 -1.901 12.248
13 HG LEU 2 HG LEU 2 -1.618 -4.251 12.137
14 HD11 LEU 2 1HD1 LEU 2 0.124 -3.219 14.397
15 HD12 LEU 2 2HD1 LEU 2 0.334 -4.745 13.539
16 HD13 LEU 2 3HD1 LEU 2 -1.089 -4.491 14.548
17 HD21 LEU 2 3HD2 LEU 2 -2.989 -2.368 12.418
18 HD22 LEU 2 1HD2 LEU 2 -1.749 -1.464 13.286
19 HD23 LEU 2 2HD2 LEU 2 -2.622 -2.769 14.090
20 H TYR 3 H TYR 3 1.104 -3.103 8.980
21 HA TYR 3 HA TYR 3 2.276 -0.446 8.552
22 HB2 TYR 3 1HB TYR 3 3.231 -3.191 7.685
23 HB3 TYR 3 2HB TYR 3 4.121 -1.678 7.500
24 HD1 TYR 3 HD2 TYR 3 4.814 -0.379 9.540
25 HD2 TYR 3 HD1 TYR 3 3.172 -4.340 9.779
26 HE1 TYR 3 HE2 TYR 3 5.691 -0.604 11.851
27 HE2 TYR 3 HE1 TYR 3 4.050 -4.568 12.086
28 HH TYR 3 HH TYR 3 4.691 -2.590 14.013
29 H GLU 4 H GLU 4 2.012 0.696 6.726
30 HA GLU 4 HA GLU 4 0.497 -0.536 4.512
31 HB2 GLU 4 1HB GLU 4 1.062 2.356 5.207
32 HB3 GLU 4 2HB GLU 4 0.167 1.831 3.781
33 HG2 GLU 4 1HG GLU 4 -1.496 0.719 5.216
34 HG3 GLU 4 2HG GLU 4 -0.587 1.198 6.648
35 H ASN 5 H ASN 5 1.546 -1.142 2.717
36 HA ASN 5 HA ASN 5 4.294 -0.162 2.285
37 HB2 ASN 5 1HB ASN 5 2.857 -2.417 0.903
38 HB3 ASN 5 2HB ASN 5 4.582 -2.067 0.860
39 HD21 ASN 5 2HD2 ASN 5 5.648 -2.060 3.160
40 HD22 ASN 5 1HD2 ASN 5 5.106 -3.255 4.236
41 H LYS 6 H LYS 6 4.798 -0.249 -0.244
42 HA LYS 6 HA LYS 6 3.073 1.817 -1.427
43 HB2 LYS 6 1HB LYS 6 5.757 0.975 -2.481
44 HB3 LYS 6 2HB LYS 6 4.936 2.528 -2.648
45 HG2 LYS 6 1HG LYS 6 6.075 1.365 -0.086
46 HG3 LYS 6 2HG LYS 6 6.733 2.719 -1.001
47 HD2 LYS 6 1HD LYS 6 4.487 3.880 -0.654
48 HD3 LYS 6 2HD LYS 6 4.113 2.609 0.507
49 HE2 LYS 6 1HE LYS 6 6.386 3.222 1.599
50 HE3 LYS 6 2HE LYS 6 6.272 4.707 0.653
51 HZ1 LYS 6 3HZ LYS 6 4.871 5.510 2.144
52 HZ2 LYS 6 1HZ LYS 6 4.989 4.085 3.058
53 HZ3 LYS 6 2HZ LYS 6 3.794 4.228 1.858
54 HA PRO 7 HA PRO 7 3.081 -1.295 -5.012
55 HB2 PRO 7 1HB PRO 7 4.237 -3.643 -4.829
56 HB3 PRO 7 2HB PRO 7 5.229 -2.170 -4.780
57 HG2 PRO 7 1HG PRO 7 4.422 -3.970 -2.544
58 HG3 PRO 7 2HG PRO 7 5.945 -3.097 -2.791
59 HD2 PRO 7 1HD PRO 7 3.659 -2.210 -1.252
60 HD3 PRO 7 2HD PRO 7 5.154 -1.303 -1.592
61 H ARG 8 H ARG 8 2.109 -2.214 -1.947
62 HA ARG 8 HA ARG 8 0.078 -4.144 -2.896
63 HB2 ARG 8 1HB ARG 8 0.977 -5.299 -1.113
64 HB3 ARG 8 2HB ARG 8 1.667 -3.854 -0.402
65 HG2 ARG 8 1HG ARG 8 -0.530 -3.219 0.509
66 HG3 ARG 8 2HG ARG 8 -1.261 -4.637 -0.255
67 HD2 ARG 8 1HD ARG 8 0.959 -4.712 1.803
68 HD3 ARG 8 2HD ARG 8 -0.743 -4.983 2.157
69 HE ARG 8 HE ARG 8 1.072 -6.842 0.872
70 HH11 ARG 8 1HH2 ARG 8 -2.204 -5.839 1.355
71 HH12 ARG 8 2HH2 ARG 8 -2.876 -7.405 1.032
72 HH21 ARG 8 1HH1 ARG 8 0.197 -8.904 0.472
73 HH22 ARG 8 2HH1 ARG 8 -1.516 -9.139 0.549
74 H ARG 9 H ARG 9 0.862 -1.178 -1.314
75 HA ARG 9 HA ARG 9 -1.945 -0.310 -1.437
76 HB2 ARG 9 1HB ARG 9 -0.006 -0.319 0.747
77 HB3 ARG 9 2HB ARG 9 -0.680 1.289 0.490
78 HG2 ARG 9 1HG ARG 9 -2.947 0.442 0.720
79 HG3 ARG 9 2HG ARG 9 -2.361 -1.221 0.778
80 HD2 ARG 9 1HD ARG 9 -1.112 -0.673 2.851
81 HD3 ARG 9 2HD ARG 9 -1.789 0.951 2.809
82 HE ARG 9 HE ARG 9 -3.137 -1.438 3.679
83 HH11 ARG 9 1HH2 ARG 9 -3.480 1.662 2.186
84 HH12 ARG 9 2HH2 ARG 9 -5.138 1.859 2.644
85 HH21 ARG 9 1HH1 ARG 9 -5.324 -1.189 4.286
86 HH22 ARG 9 2HH1 ARG 9 -6.180 0.244 3.831
87 HA PRO 10 HA PRO 10 1.070 2.474 -3.886
88 HB2 PRO 10 1HB PRO 10 0.203 1.817 -6.433
89 HB3 PRO 10 2HB PRO 10 1.573 1.025 -5.635
90 HG2 PRO 10 1HG PRO 10 -1.246 0.099 -5.915
91 HG3 PRO 10 2HG PRO 10 0.267 -0.825 -5.998
92 HD2 PRO 10 1HD PRO 10 -1.318 -0.831 -3.786
93 HD3 PRO 10 2HD PRO 10 0.441 -0.993 -3.707
94 H TYR 11 H TYR 11 0.418 4.377 -5.134
95 HA TYR 11 HA TYR 11 -2.191 5.318 -4.341
96 HB2 TYR 11 1HB TYR 11 -0.239 6.712 -6.179
97 HB3 TYR 11 2HB TYR 11 -1.486 7.441 -5.165
98 HD1 TYR 11 HD1 TYR 11 -1.275 7.263 -2.633
99 HD2 TYR 11 HD2 TYR 11 1.921 6.243 -5.315
100 HE1 TYR 11 HE1 TYR 11 0.348 7.425 -0.763
101 HE2 TYR 11 HE2 TYR 11 3.541 6.402 -3.448
102 HH TYR 11 HH TYR 11 2.492 7.360 -0.179
103 H ILE 12 H ILE 12 -1.078 3.536 -6.954
104 HA ILE 12 HA ILE 12 -2.538 4.661 -9.102
105 HB ILE 12 HB ILE 12 -1.448 1.903 -8.523
106 HG12 ILE 12 1HG1 ILE 12 0.083 2.443 -10.317
107 HG13 ILE 12 2HG1 ILE 12 -0.842 3.882 -10.744
108 HG21 ILE 12 1HG2 ILE 12 -3.202 2.780 -10.827
109 HG22 ILE 12 2HG2 ILE 12 -3.373 1.351 -9.808
110 HG23 ILE 12 3HG2 ILE 12 -2.065 1.439 -10.986
111 HD11 ILE 12 3HD1 ILE 12 1.274 4.259 -9.339
112 HD12 ILE 12 1HD1 ILE 12 0.383 3.527 -8.005
113 HD13 ILE 12 2HD1 ILE 12 -0.207 5.012 -8.748
114 H LEU 13 H LEU 13 -3.332 2.156 -6.719
115 HA LEU 13 HA LEU 13 -6.034 1.839 -7.713
116 HB2 LEU 13 1HB LEU 13 -4.727 0.808 -5.183
117 HB3 LEU 13 2HB LEU 13 -6.281 0.281 -5.828
118 HG LEU 13 HG LEU 13 -3.650 0.044 -7.323
119 HD11 LEU 13 1HD1 LEU 13 -3.992 -2.434 -6.804
120 HD12 LEU 13 2HD1 LEU 13 -5.182 -1.920 -5.607
121 HD13 LEU 13 3HD1 LEU 13 -3.497 -1.424 -5.444
122 HD21 LEU 13 3HD2 LEU 13 -5.380 0.009 -8.938
123 HD22 LEU 13 1HD2 LEU 13 -6.495 -0.833 -7.863
124 HD23 LEU 13 2HD2 LEU 13 -5.138 -1.698 -8.583
Start of MODEL 38
1 H1 GLU 1 1H GLU 1 -3.666 -5.566 8.015
2 H2 GLU 1 2H GLU 1 -3.659 -4.029 8.739
3 H3 GLU 1 3H GLU 1 -3.409 -5.419 9.685
4 HA GLU 1 HA GLU 1 -1.286 -5.772 8.887
5 HB2 GLU 1 1HB GLU 1 -0.521 -4.297 6.861
6 HB3 GLU 1 2HB GLU 1 -1.536 -5.705 6.553
7 HG2 GLU 1 1HG GLU 1 -3.532 -4.300 6.473
8 HG3 GLU 1 2HG GLU 1 -2.577 -2.878 6.893
9 H LEU 2 H LEU 2 -0.118 -4.869 10.444
10 HA LEU 2 HA LEU 2 -0.548 -2.237 11.428
11 HB2 LEU 2 1HB LEU 2 1.716 -4.208 11.835
12 HB3 LEU 2 2HB LEU 2 1.609 -2.663 12.676
13 HG LEU 2 HG LEU 2 -0.784 -3.456 13.367
14 HD11 LEU 2 1HD1 LEU 2 0.507 -6.052 12.483
15 HD12 LEU 2 2HD1 LEU 2 -1.055 -5.399 11.993
16 HD13 LEU 2 3HD1 LEU 2 -0.823 -5.987 13.636
17 HD21 LEU 2 3HD2 LEU 2 1.775 -4.662 14.452
18 HD22 LEU 2 1HD2 LEU 2 0.221 -4.788 15.277
19 HD23 LEU 2 2HD2 LEU 2 0.954 -3.206 15.014
20 H TYR 3 H TYR 3 1.880 -3.685 9.299
21 HA TYR 3 HA TYR 3 3.173 -1.093 8.860
22 HB2 TYR 3 1HB TYR 3 4.574 -3.109 9.100
23 HB3 TYR 3 2HB TYR 3 3.780 -3.824 7.696
24 HD1 TYR 3 HD1 TYR 3 5.805 -0.894 8.810
25 HD2 TYR 3 HD2 TYR 3 4.481 -3.283 5.493
26 HE1 TYR 3 HE1 TYR 3 7.372 0.312 7.314
27 HE2 TYR 3 HE2 TYR 3 6.050 -2.078 3.998
28 HH TYR 3 HH TYR 3 7.979 -0.746 4.049
29 H GLU 4 H GLU 4 2.700 0.199 7.191
30 HA GLU 4 HA GLU 4 0.729 -0.688 5.217
31 HB2 GLU 4 1HB GLU 4 1.990 2.003 5.796
32 HB3 GLU 4 2HB GLU 4 0.819 1.721 4.508
33 HG2 GLU 4 1HG GLU 4 -0.842 0.965 6.133
34 HG3 GLU 4 2HG GLU 4 0.329 1.129 7.440
35 H ASN 5 H ASN 5 1.363 -1.564 3.352
36 HA ASN 5 HA ASN 5 4.111 -1.256 2.436
37 HB2 ASN 5 1HB ASN 5 2.571 -3.402 2.471
38 HB3 ASN 5 2HB ASN 5 2.009 -2.779 0.931
39 HD21 ASN 5 2HD2 ASN 5 5.024 -1.603 0.885
40 HD22 ASN 5 1HD2 ASN 5 5.880 -2.918 0.236
41 H LYS 6 H LYS 6 4.361 -0.943 -0.059
42 HA LYS 6 HA LYS 6 2.962 1.554 -0.743
43 HB2 LYS 6 1HB LYS 6 5.548 0.301 -1.640
44 HB3 LYS 6 2HB LYS 6 4.836 1.653 -2.513
45 HG2 LYS 6 1HG LYS 6 6.414 2.533 -0.903
46 HG3 LYS 6 2HG LYS 6 4.788 2.949 -0.365
47 HD2 LYS 6 1HD LYS 6 4.803 1.316 1.341
48 HD3 LYS 6 2HD LYS 6 6.147 0.435 0.616
49 HE2 LYS 6 1HE LYS 6 6.913 1.703 2.578
50 HE3 LYS 6 2HE LYS 6 7.647 2.345 1.108
51 HZ1 LYS 6 3HZ LYS 6 6.536 4.266 1.290
52 HZ2 LYS 6 1HZ LYS 6 6.370 3.836 2.922
53 HZ3 LYS 6 2HZ LYS 6 5.106 3.525 1.831
54 HA PRO 7 HA PRO 7 2.098 -0.996 -4.662
55 HB2 PRO 7 1HB PRO 7 2.499 -3.638 -4.703
56 HB3 PRO 7 2HB PRO 7 3.852 -2.499 -4.852
57 HG2 PRO 7 1HG PRO 7 3.041 -4.160 -2.534
58 HG3 PRO 7 2HG PRO 7 4.654 -3.597 -3.009
59 HD2 PRO 7 1HD PRO 7 2.887 -2.382 -1.085
60 HD3 PRO 7 2HD PRO 7 4.462 -1.775 -1.624
61 H ARG 8 H ARG 8 0.897 -1.213 -1.757
62 HA ARG 8 HA ARG 8 -1.472 -2.851 -2.459
63 HB2 ARG 8 1HB ARG 8 -1.978 -2.986 -0.115
64 HB3 ARG 8 2HB ARG 8 -0.266 -3.366 -0.263
65 HG2 ARG 8 1HG ARG 8 0.299 -1.033 0.358
66 HG3 ARG 8 2HG ARG 8 -1.416 -0.672 0.541
67 HD2 ARG 8 1HD ARG 8 0.014 -2.842 2.086
68 HD3 ARG 8 2HD ARG 8 -0.287 -1.220 2.705
69 HE ARG 8 HE ARG 8 -2.243 -3.343 2.361
70 HH11 ARG 8 1HH2 ARG 8 -1.624 0.040 2.742
71 HH12 ARG 8 2HH2 ARG 8 -3.200 0.400 3.363
72 HH21 ARG 8 1HH1 ARG 8 -4.312 -2.879 3.174
73 HH22 ARG 8 2HH1 ARG 8 -4.722 -1.254 3.608
74 H ARG 9 H ARG 9 -0.202 0.197 -1.344
75 HA ARG 9 HA ARG 9 -2.730 1.541 -2.036
76 HB2 ARG 9 1HB ARG 9 -2.209 3.175 -0.317
77 HB3 ARG 9 2HB ARG 9 -2.241 1.547 0.362
78 HG2 ARG 9 1HG ARG 9 0.310 1.533 -0.123
79 HG3 ARG 9 2HG ARG 9 0.150 3.283 -0.245
80 HD2 ARG 9 1HD ARG 9 -0.739 1.644 2.145
81 HD3 ARG 9 2HD ARG 9 0.781 2.527 2.050
82 HE ARG 9 HE ARG 9 -0.989 4.477 1.517
83 HH11 ARG 9 1HH2 ARG 9 -0.942 1.978 3.912
84 HH12 ARG 9 2HH2 ARG 9 -1.807 2.904 5.094
85 HH21 ARG 9 1HH1 ARG 9 -2.121 5.696 3.062
86 HH22 ARG 9 2HH1 ARG 9 -2.474 5.008 4.611
87 HA PRO 10 HA PRO 10 0.994 3.478 -4.281
88 HB2 PRO 10 1HB PRO 10 0.989 2.270 -6.705
89 HB3 PRO 10 2HB PRO 10 1.803 1.524 -5.311
90 HG2 PRO 10 1HG PRO 10 -0.921 0.959 -6.414
91 HG3 PRO 10 2HG PRO 10 0.352 -0.182 -5.942
92 HD2 PRO 10 1HD PRO 10 -1.734 0.427 -4.284
93 HD3 PRO 10 2HD PRO 10 -0.105 0.045 -3.684
94 H TYR 11 H TYR 11 -1.580 4.406 -3.819
95 HA TYR 11 HA TYR 11 -3.244 5.745 -4.677
96 HB2 TYR 11 1HB TYR 11 -1.212 6.929 -5.659
97 HB3 TYR 11 2HB TYR 11 -1.490 6.002 -7.132
98 HD1 TYR 11 HD1 TYR 11 -2.952 8.520 -4.836
99 HD2 TYR 11 HD2 TYR 11 -3.300 6.523 -8.622
100 HE1 TYR 11 HE1 TYR 11 -4.684 10.150 -5.535
101 HE2 TYR 11 HE2 TYR 11 -5.034 8.153 -9.322
102 HH TYR 11 HH TYR 11 -6.118 10.021 -8.794
103 H ILE 12 H ILE 12 -2.644 2.807 -5.405
104 HA ILE 12 HA ILE 12 -3.611 1.114 -6.600
105 HB ILE 12 HB ILE 12 -5.793 3.189 -6.773
106 HG12 ILE 12 1HG1 ILE 12 -5.531 0.757 -4.991
107 HG13 ILE 12 2HG1 ILE 12 -5.035 2.379 -4.508
108 HG21 ILE 12 1HG2 ILE 12 -7.102 0.797 -6.987
109 HG22 ILE 12 2HG2 ILE 12 -5.621 0.411 -7.859
110 HG23 ILE 12 3HG2 ILE 12 -6.630 1.756 -8.386
111 HD11 ILE 12 3HD1 ILE 12 -7.350 1.793 -3.750
112 HD12 ILE 12 1HD1 ILE 12 -7.827 1.663 -5.443
113 HD13 ILE 12 2HD1 ILE 12 -7.299 3.214 -4.793
114 H LEU 13 H LEU 13 -1.776 2.757 -7.887
115 HA LEU 13 HA LEU 13 -2.700 3.465 -10.517
116 HB2 LEU 13 1HB LEU 13 -0.705 4.406 -9.074
117 HB3 LEU 13 2HB LEU 13 0.190 3.073 -9.787
118 HG LEU 13 HG LEU 13 0.547 4.982 -11.185
119 HD11 LEU 13 1HD1 LEU 13 0.020 2.751 -12.277
120 HD12 LEU 13 2HD1 LEU 13 -0.196 4.169 -13.304
121 HD13 LEU 13 3HD1 LEU 13 -1.599 3.379 -12.587
122 HD21 LEU 13 3HD2 LEU 13 -1.739 6.047 -10.313
123 HD22 LEU 13 1HD2 LEU 13 -2.375 5.348 -11.802
124 HD23 LEU 13 2HD2 LEU 13 -1.060 6.514 -11.865
Start of MODEL 39
1 H1 GLU 1 1H GLU 1 -3.336 -4.698 9.881
2 H2 GLU 1 2H GLU 1 -4.596 -4.124 8.895
3 H3 GLU 1 3H GLU 1 -3.874 -3.098 10.041
4 HA GLU 1 HA GLU 1 -2.360 -4.298 7.798
5 HB2 GLU 1 1HB GLU 1 -2.596 -2.015 6.747
6 HB3 GLU 1 2HB GLU 1 -4.081 -2.965 6.765
7 HG2 GLU 1 1HG GLU 1 -3.572 -1.155 9.110
8 HG3 GLU 1 2HG GLU 1 -4.029 -0.400 7.586
9 H LEU 2 H LEU 2 -1.043 -4.508 9.937
10 HA LEU 2 HA LEU 2 0.067 -2.176 11.121
11 HB2 LEU 2 1HB LEU 2 1.046 -5.035 10.981
12 HB3 LEU 2 2HB LEU 2 1.836 -3.784 11.935
13 HG LEU 2 HG LEU 2 -1.091 -4.518 12.237
14 HD11 LEU 2 1HD1 LEU 2 0.164 -6.477 12.831
15 HD12 LEU 2 2HD1 LEU 2 -0.279 -5.680 14.342
16 HD13 LEU 2 3HD1 LEU 2 1.358 -5.520 13.707
17 HD21 LEU 2 3HD2 LEU 2 0.824 -2.698 13.697
18 HD22 LEU 2 1HD2 LEU 2 -0.497 -3.453 14.588
19 HD23 LEU 2 2HD2 LEU 2 -0.847 -2.403 13.221
20 H TYR 3 H TYR 3 1.117 -4.299 8.487
21 HA TYR 3 HA TYR 3 3.494 -2.658 7.995
22 HB2 TYR 3 1HB TYR 3 2.442 -5.155 6.644
23 HB3 TYR 3 2HB TYR 3 3.952 -4.347 6.227
24 HD1 TYR 3 HD1 TYR 3 2.157 -6.214 8.874
25 HD2 TYR 3 HD2 TYR 3 5.897 -4.499 7.642
26 HE1 TYR 3 HE1 TYR 3 3.315 -7.419 10.708
27 HE2 TYR 3 HE2 TYR 3 7.054 -5.705 9.474
28 HH TYR 3 HH TYR 3 6.832 -7.382 10.998
29 H GLU 4 H GLU 4 2.741 -0.709 7.202
30 HA GLU 4 HA GLU 4 0.849 -0.669 4.975
31 HB2 GLU 4 1HB GLU 4 2.257 1.523 6.513
32 HB3 GLU 4 2HB GLU 4 1.151 1.817 5.170
33 HG2 GLU 4 1HG GLU 4 -0.654 0.681 6.366
34 HG3 GLU 4 2HG GLU 4 0.442 0.281 7.686
35 H ASN 5 H ASN 5 1.906 -1.523 3.206
36 HA ASN 5 HA ASN 5 4.499 -0.372 2.413
37 HB2 ASN 5 1HB ASN 5 2.934 -2.741 1.348
38 HB3 ASN 5 2HB ASN 5 4.537 -2.249 0.807
39 HD21 ASN 5 2HD2 ASN 5 3.451 -4.700 2.418
40 HD22 ASN 5 1HD2 ASN 5 4.529 -4.795 3.726
41 H LYS 6 H LYS 6 4.728 0.218 0.050
42 HA LYS 6 HA LYS 6 2.472 1.897 -0.709
43 HB2 LYS 6 1HB LYS 6 4.043 2.909 -2.311
44 HB3 LYS 6 2HB LYS 6 4.632 2.923 -0.654
45 HG2 LYS 6 1HG LYS 6 6.485 2.241 -1.977
46 HG3 LYS 6 2HG LYS 6 5.894 0.779 -1.195
47 HD2 LYS 6 1HD LYS 6 5.137 -0.145 -3.177
48 HD3 LYS 6 2HD LYS 6 4.734 1.413 -3.888
49 HE2 LYS 6 1HE LYS 6 6.716 0.189 -4.928
50 HE3 LYS 6 2HE LYS 6 7.018 1.855 -4.436
51 HZ1 LYS 6 3HZ LYS 6 7.715 0.736 -2.220
52 HZ2 LYS 6 1HZ LYS 6 8.799 0.764 -3.523
53 HZ3 LYS 6 2HZ LYS 6 7.917 -0.648 -3.183
54 HA PRO 7 HA PRO 7 2.375 -0.889 -4.540
55 HB2 PRO 7 1HB PRO 7 3.213 -3.367 -4.401
56 HB3 PRO 7 2HB PRO 7 4.407 -2.053 -4.322
57 HG2 PRO 7 1HG PRO 7 3.306 -3.734 -2.116
58 HG3 PRO 7 2HG PRO 7 4.959 -3.136 -2.354
59 HD2 PRO 7 1HD PRO 7 2.896 -1.887 -0.782
60 HD3 PRO 7 2HD PRO 7 4.495 -1.213 -1.200
61 H ARG 8 H ARG 8 1.307 -1.532 -1.471
62 HA ARG 8 HA ARG 8 -0.936 -3.269 -2.329
63 HB2 ARG 8 1HB ARG 8 -1.212 -3.908 -0.035
64 HB3 ARG 8 2HB ARG 8 0.515 -4.025 -0.349
65 HG2 ARG 8 1HG ARG 8 0.844 -1.800 0.674
66 HG3 ARG 8 2HG ARG 8 -0.881 -1.713 1.032
67 HD2 ARG 8 1HD ARG 8 0.953 -3.909 2.018
68 HD3 ARG 8 2HD ARG 8 0.470 -2.510 2.971
69 HE ARG 8 HE ARG 8 -1.861 -3.748 2.007
70 HH11 ARG 8 1HH2 ARG 8 0.806 -4.337 4.130
71 HH12 ARG 8 2HH2 ARG 8 -0.084 -5.385 5.182
72 HH21 ARG 8 1HH1 ARG 8 -3.036 -5.122 3.380
73 HH22 ARG 8 2HH1 ARG 8 -2.260 -5.830 4.758
74 H ARG 9 H ARG 9 0.186 -0.309 -0.962
75 HA ARG 9 HA ARG 9 -2.504 0.878 -1.125
76 HB2 ARG 9 1HB ARG 9 -0.384 1.046 0.941
77 HB3 ARG 9 2HB ARG 9 -1.262 2.532 0.615
78 HG2 ARG 9 1HG ARG 9 -3.391 1.416 1.066
79 HG3 ARG 9 2HG ARG 9 -2.563 -0.122 1.299
80 HD2 ARG 9 1HD ARG 9 -2.886 0.688 3.494
81 HD3 ARG 9 2HD ARG 9 -1.212 1.099 3.134
82 HE ARG 9 HE ARG 9 -2.566 3.328 2.359
83 HH11 ARG 9 1HH2 ARG 9 -2.550 1.370 5.214
84 HH12 ARG 9 2HH2 ARG 9 -2.945 2.678 6.279
85 HH21 ARG 9 1HH1 ARG 9 -3.084 5.048 3.750
86 HH22 ARG 9 2HH1 ARG 9 -3.246 4.759 5.450
87 HA PRO 10 HA PRO 10 0.777 3.156 -3.749
88 HB2 PRO 10 1HB PRO 10 0.094 2.290 -6.268
89 HB3 PRO 10 2HB PRO 10 1.286 1.442 -5.262
90 HG2 PRO 10 1HG PRO 10 -1.597 0.809 -5.708
91 HG3 PRO 10 2HG PRO 10 -0.200 -0.284 -5.613
92 HD2 PRO 10 1HD PRO 10 -1.913 0.088 -3.511
93 HD3 PRO 10 2HD PRO 10 -0.193 -0.276 -3.312
94 H TYR 11 H TYR 11 -0.019 4.356 -6.038
95 HA TYR 11 HA TYR 11 -2.261 5.967 -5.209
96 HB2 TYR 11 1HB TYR 11 -0.678 5.911 -7.795
97 HB3 TYR 11 2HB TYR 11 -1.897 7.119 -7.388
98 HD1 TYR 11 HD2 TYR 11 1.432 5.766 -6.497
99 HD2 TYR 11 HD1 TYR 11 -1.460 8.860 -5.774
100 HE1 TYR 11 HE2 TYR 11 3.130 7.059 -5.234
101 HE2 TYR 11 HE1 TYR 11 0.240 10.153 -4.511
102 HH TYR 11 HH TYR 11 3.607 9.140 -4.400
103 H ILE 12 H ILE 12 -2.948 3.265 -5.397
104 HA ILE 12 HA ILE 12 -4.294 1.732 -6.455
105 HB ILE 12 HB ILE 12 -5.843 3.296 -5.382
106 HG12 ILE 12 1HG1 ILE 12 -7.045 2.520 -8.044
107 HG13 ILE 12 2HG1 ILE 12 -6.575 1.303 -6.859
108 HG21 ILE 12 1HG2 ILE 12 -5.425 5.388 -6.427
109 HG22 ILE 12 2HG2 ILE 12 -7.051 4.938 -6.934
110 HG23 ILE 12 3HG2 ILE 12 -5.699 4.737 -8.040
111 HD11 ILE 12 3HD1 ILE 12 -8.979 2.005 -6.687
112 HD12 ILE 12 1HD1 ILE 12 -8.430 3.628 -6.271
113 HD13 ILE 12 2HD1 ILE 12 -8.064 2.272 -5.205
114 H LEU 13 H LEU 13 -2.230 2.363 -8.008
115 HA LEU 13 HA LEU 13 -2.989 3.149 -10.664
116 HB2 LEU 13 1HB LEU 13 -0.687 3.309 -9.401
117 HB3 LEU 13 2HB LEU 13 -0.464 1.665 -9.978
118 HG LEU 13 HG LEU 13 0.539 3.160 -11.571
119 HD11 LEU 13 1HD1 LEU 13 -0.873 1.185 -12.366
120 HD12 LEU 13 2HD1 LEU 13 -0.536 2.431 -13.566
121 HD13 LEU 13 3HD1 LEU 13 -2.115 2.367 -12.784
122 HD21 LEU 13 3HD2 LEU 13 -1.178 5.080 -10.810
123 HD22 LEU 13 1HD2 LEU 13 -2.048 4.533 -12.246
124 HD23 LEU 13 2HD2 LEU 13 -0.394 5.116 -12.386
Start of MODEL 40
1 H1 GLU 1 1H GLU 1 -3.324 -4.645 7.761
2 H2 GLU 1 2H GLU 1 -3.075 -3.766 9.194
3 H3 GLU 1 3H GLU 1 -3.447 -5.421 9.262
4 HA GLU 1 HA GLU 1 -1.316 -5.947 9.194
5 HB2 GLU 1 1HB GLU 1 -1.658 -5.910 6.731
6 HB3 GLU 1 2HB GLU 1 -1.184 -4.211 6.709
7 HG2 GLU 1 1HG GLU 1 1.024 -4.797 7.614
8 HG3 GLU 1 2HG GLU 1 0.554 -6.495 7.691
9 H LEU 2 H LEU 2 0.515 -5.244 10.210
10 HA LEU 2 HA LEU 2 0.517 -2.656 11.385
11 HB2 LEU 2 1HB LEU 2 2.636 -4.807 11.226
12 HB3 LEU 2 2HB LEU 2 2.826 -3.324 12.159
13 HG LEU 2 HG LEU 2 0.528 -5.268 12.525
14 HD11 LEU 2 1HD1 LEU 2 3.131 -4.988 14.054
15 HD12 LEU 2 2HD1 LEU 2 2.600 -6.388 13.121
16 HD13 LEU 2 3HD1 LEU 2 1.753 -5.943 14.603
17 HD21 LEU 2 3HD2 LEU 2 -0.238 -3.284 13.474
18 HD22 LEU 2 1HD2 LEU 2 1.385 -2.707 13.856
19 HD23 LEU 2 2HD2 LEU 2 0.633 -3.952 14.851
20 H TYR 3 H TYR 3 2.305 -4.101 8.693
21 HA TYR 3 HA TYR 3 3.786 -1.629 8.210
22 HB2 TYR 3 1HB TYR 3 3.725 -4.228 6.654
23 HB3 TYR 3 2HB TYR 3 4.855 -2.896 6.405
24 HD1 TYR 3 HD2 TYR 3 6.571 -2.359 8.099
25 HD2 TYR 3 HD1 TYR 3 3.925 -5.711 8.557
26 HE1 TYR 3 HE2 TYR 3 8.045 -3.281 9.868
27 HE2 TYR 3 HE1 TYR 3 5.400 -6.635 10.324
28 HH TYR 3 HH TYR 3 7.403 -6.453 11.322
29 H GLU 4 H GLU 4 2.317 -0.097 7.529
30 HA GLU 4 HA GLU 4 0.451 -0.724 5.362
31 HB2 GLU 4 1HB GLU 4 0.936 1.776 6.995
32 HB3 GLU 4 2HB GLU 4 -0.254 1.665 5.698
33 HG2 GLU 4 1HG GLU 4 -1.402 -0.153 6.864
34 HG3 GLU 4 2HG GLU 4 -0.180 -0.138 8.134
35 H ASN 5 H ASN 5 1.886 -1.092 3.625
36 HA ASN 5 HA ASN 5 3.597 1.160 2.779
37 HB2 ASN 5 1HB ASN 5 4.579 -0.432 1.214
38 HB3 ASN 5 2HB ASN 5 4.593 -1.102 2.844
39 HD21 ASN 5 2HD2 ASN 5 4.751 -3.209 1.465
40 HD22 ASN 5 1HD2 ASN 5 3.279 -3.921 1.001
41 H LYS 6 H LYS 6 3.686 1.047 0.161
42 HA LYS 6 HA LYS 6 1.037 1.941 -0.672
43 HB2 LYS 6 1HB LYS 6 3.833 2.324 -1.594
44 HB3 LYS 6 2HB LYS 6 2.633 2.267 -2.885
45 HG2 LYS 6 1HG LYS 6 2.932 4.574 -2.154
46 HG3 LYS 6 2HG LYS 6 1.327 4.027 -1.668
47 HD2 LYS 6 1HD LYS 6 2.201 3.519 0.598
48 HD3 LYS 6 2HD LYS 6 3.789 4.110 0.107
49 HE2 LYS 6 1HE LYS 6 1.220 5.685 0.358
50 HE3 LYS 6 2HE LYS 6 2.735 5.938 1.226
51 HZ1 LYS 6 3HZ LYS 6 3.767 6.390 -0.983
52 HZ2 LYS 6 1HZ LYS 6 2.628 7.546 -0.489
53 HZ3 LYS 6 2HZ LYS 6 2.206 6.387 -1.658
54 HA PRO 7 HA PRO 7 2.288 -1.535 -4.177
55 HB2 PRO 7 1HB PRO 7 3.330 -3.120 -1.854
56 HB3 PRO 7 2HB PRO 7 3.721 -3.273 -3.582
57 HG2 PRO 7 1HG PRO 7 5.288 -1.905 -1.843
58 HG3 PRO 7 2HG PRO 7 5.145 -1.472 -3.556
59 HD2 PRO 7 1HD PRO 7 4.203 0.042 -1.247
60 HD3 PRO 7 2HD PRO 7 4.191 0.520 -2.952
61 H ARG 8 H ARG 8 1.032 -1.816 -0.881
62 HA ARG 8 HA ARG 8 -0.822 -3.957 -1.658
63 HB2 ARG 8 1HB ARG 8 -1.468 -4.034 0.631
64 HB3 ARG 8 2HB ARG 8 0.265 -3.729 0.684
65 HG2 ARG 8 1HG ARG 8 -0.253 -1.271 0.894
66 HG3 ARG 8 2HG ARG 8 -1.957 -1.698 1.054
67 HD2 ARG 8 1HD ARG 8 -1.416 -3.108 3.005
68 HD3 ARG 8 2HD ARG 8 0.277 -2.652 2.857
69 HE ARG 8 HE ARG 8 -0.247 -0.518 3.689
70 HH11 ARG 8 1HH2 ARG 8 -3.076 -2.442 3.126
71 HH12 ARG 8 2HH2 ARG 8 -4.130 -1.391 4.010
72 HH21 ARG 8 1HH1 ARG 8 -1.629 0.860 4.841
73 HH22 ARG 8 2HH1 ARG 8 -3.312 0.477 4.980
74 H ARG 9 H ARG 9 -0.741 -0.609 -0.673
75 HA ARG 9 HA ARG 9 -3.292 -0.064 -2.042
76 HB2 ARG 9 1HB ARG 9 -2.229 0.770 0.622
77 HB3 ARG 9 2HB ARG 9 -3.191 1.949 -0.273
78 HG2 ARG 9 1HG ARG 9 -5.067 0.412 -0.395
79 HG3 ARG 9 2HG ARG 9 -4.104 -0.882 0.318
80 HD2 ARG 9 1HD ARG 9 -5.547 0.106 2.024
81 HD3 ARG 9 2HD ARG 9 -3.863 0.462 2.389
82 HE ARG 9 HE ARG 9 -5.902 2.372 1.511
83 HH11 ARG 9 1HH2 ARG 9 -2.571 1.674 2.169
84 HH12 ARG 9 2HH2 ARG 9 -2.122 3.335 2.357
85 HH21 ARG 9 1HH1 ARG 9 -5.311 4.547 1.753
86 HH22 ARG 9 2HH1 ARG 9 -3.670 4.960 2.120
87 HA PRO 10 HA PRO 10 0.356 2.393 -3.702
88 HB2 PRO 10 1HB PRO 10 0.389 1.517 -6.255
89 HB3 PRO 10 2HB PRO 10 1.122 0.560 -4.940
90 HG2 PRO 10 1HG PRO 10 -1.595 0.273 -6.180
91 HG3 PRO 10 2HG PRO 10 -0.366 -0.973 -5.875
92 HD2 PRO 10 1HD PRO 10 -2.437 -0.576 -4.163
93 HD3 PRO 10 2HD PRO 10 -0.828 -1.052 -3.605
94 H TYR 11 H TYR 11 0.300 4.186 -5.217
95 HA TYR 11 HA TYR 11 -2.408 5.219 -5.643
96 HB2 TYR 11 1HB TYR 11 0.360 6.419 -5.781
97 HB3 TYR 11 2HB TYR 11 -1.043 7.279 -6.416
98 HD1 TYR 11 HD2 TYR 11 -3.047 7.645 -4.862
99 HD2 TYR 11 HD1 TYR 11 0.824 6.421 -3.455
100 HE1 TYR 11 HE2 TYR 11 -3.646 8.383 -2.572
101 HE2 TYR 11 HE1 TYR 11 0.223 7.161 -1.166
102 HH TYR 11 HH TYR 11 -3.004 8.007 -0.295
103 H ILE 12 H ILE 12 -0.514 3.194 -7.289
104 HA ILE 12 HA ILE 12 -0.346 4.266 -9.898
105 HB ILE 12 HB ILE 12 -0.502 1.409 -8.906
106 HG12 ILE 12 1HG1 ILE 12 1.849 2.995 -9.979
107 HG13 ILE 12 2HG1 ILE 12 1.465 2.891 -8.261
108 HG21 ILE 12 1HG2 ILE 12 -0.011 2.548 -11.669
109 HG22 ILE 12 2HG2 ILE 12 -1.200 1.335 -11.194
110 HG23 ILE 12 3HG2 ILE 12 0.516 0.929 -11.204
111 HD11 ILE 12 3HD1 ILE 12 3.106 1.183 -8.763
112 HD12 ILE 12 1HD1 ILE 12 2.143 0.592 -10.116
113 HD13 ILE 12 2HD1 ILE 12 1.562 0.384 -8.464
114 H LEU 13 H LEU 13 -2.826 2.301 -8.284
115 HA LEU 13 HA LEU 13 -4.539 2.242 -10.610
116 HB2 LEU 13 1HB LEU 13 -5.169 1.544 -7.732
117 HB3 LEU 13 2HB LEU 13 -6.125 1.110 -9.147
118 HG LEU 13 HG LEU 13 -3.266 0.234 -8.638
119 HD11 LEU 13 1HD1 LEU 13 -5.917 -1.213 -8.380
120 HD12 LEU 13 2HD1 LEU 13 -4.761 -0.878 -7.091
121 HD13 LEU 13 3HD1 LEU 13 -4.351 -2.024 -8.368
122 HD21 LEU 13 3HD2 LEU 13 -3.497 0.209 -10.976
123 HD22 LEU 13 1HD2 LEU 13 -5.217 -0.175 -10.904
124 HD23 LEU 13 2HD2 LEU 13 -4.016 -1.418 -10.549
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