Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22650 | 2jq2 RC | 15267 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA HIS 1 HA HIS 1 -10.374 0.108 -3.642
2 HD1 HIS 1 1HD HIS 1 -13.901 0.389 -3.280
3 HD2 HIS 1 2HD HIS 1 -11.613 3.850 -3.503
4 HE1 HIS 1 1HE HIS 1 -15.170 1.936 -4.803
5 HE2 HIS 1 2HE HIS 1 -13.750 4.012 -4.951
6 H1 HIS 1 1HT HIS 1 -12.716 -0.932 -2.247
7 H2 HIS 1 2HT HIS 1 -11.629 -2.000 -3.037
8 H3 HIS 1 3HT HIS 1 -12.420 -0.763 -3.927
9 HB2 HIS 1 2HB HIS 1 -11.985 0.974 -1.228
10 HB3 HIS 1 1HB HIS 1 -10.652 1.877 -1.942
11 HA PRO 2 HA PRO 2 -8.654 -2.983 -0.525
12 HB2 PRO 2 2HB PRO 2 -6.460 -3.496 -2.119
13 HB3 PRO 2 1HB PRO 2 -7.960 -4.427 -2.163
14 HG2 PRO 2 2HG PRO 2 -7.108 -2.133 -3.900
15 HG3 PRO 2 1HG PRO 2 -7.808 -3.695 -4.382
16 HD2 PRO 2 2HD PRO 2 -9.380 -1.580 -4.267
17 HD3 PRO 2 1HD PRO 2 -9.927 -3.119 -3.568
18 H LEU 3 H LEU 3 -5.992 -3.083 -0.359
19 HA LEU 3 HA LEU 3 -5.337 -0.449 0.669
20 HG LEU 3 HG LEU 3 -4.717 -4.132 0.688
21 HB2 LEU 3 2HB LEU 3 -3.417 -1.618 1.742
22 HB3 LEU 3 1HB LEU 3 -4.995 -2.205 2.225
23 HD11 LEU 3 1HD1 LEU 3 -2.316 -4.569 -0.040
24 HD12 LEU 3 2HD1 LEU 3 -2.051 -2.844 0.210
25 HD13 LEU 3 3HD1 LEU 3 -3.242 -3.391 -0.970
26 HD21 LEU 3 3HD2 LEU 3 -4.214 -4.614 2.912
27 HD22 LEU 3 1HD2 LEU 3 -2.744 -3.639 2.890
28 HD23 LEU 3 2HD2 LEU 3 -2.796 -5.176 2.027
29 H LYS 4 H LYS 4 -5.256 -1.014 -2.249
30 HA LYS 4 HA LYS 4 -2.701 -1.346 -3.224
31 HB2 LYS 4 2HB LYS 4 -3.529 -0.357 -5.223
32 HB3 LYS 4 1HB LYS 4 -4.793 -1.309 -4.500
33 HG2 LYS 4 2HG LYS 4 -5.954 0.610 -3.748
34 HG3 LYS 4 1HG LYS 4 -4.596 1.660 -4.153
35 HD2 LYS 4 2HD LYS 4 -6.381 1.840 -5.816
36 HD3 LYS 4 1HD LYS 4 -4.911 1.173 -6.525
37 HE2 LYS 4 2HE LYS 4 -6.814 -0.054 -7.337
38 HE3 LYS 4 1HE LYS 4 -5.863 -1.092 -6.278
39 HZ1 LYS 4 3HZ LYS 4 -7.491 -0.338 -4.479
40 HZ2 LYS 4 1HZ LYS 4 -8.042 -1.454 -5.625
41 HZ3 LYS 4 2HZ LYS 4 -8.476 0.175 -5.754
42 H GLN 5 H GLN 5 -4.205 1.391 -1.759
43 HA GLN 5 HA GLN 5 -2.086 3.198 -2.572
44 HB2 GLN 5 2HB GLN 5 -4.381 4.047 -2.389
45 HB3 GLN 5 1HB GLN 5 -4.411 3.620 -0.683
46 HG2 GLN 5 2HG GLN 5 -4.026 5.982 -0.939
47 HG3 GLN 5 1HG GLN 5 -2.595 5.204 -0.265
48 HE21 GLN 5 1HE2 GLN 5 -3.591 7.457 -2.394
49 HE22 GLN 5 2HE2 GLN 5 -2.239 7.450 -3.496
50 H TYR 6 H TYR 6 -2.239 0.761 -0.414
51 HA TYR 6 HA TYR 6 -0.915 2.179 1.775
52 HD1 TYR 6 1HD TYR 6 -3.838 0.997 0.854
53 HD2 TYR 6 2HD TYR 6 -2.206 0.278 4.715
54 HE1 TYR 6 1HE TYR 6 -5.966 1.684 1.872
55 HE2 TYR 6 2HE TYR 6 -4.331 0.961 5.745
56 HH TYR 6 HH TYR 6 -6.666 1.172 5.187
57 HB2 TYR 6 2HB TYR 6 -1.745 -0.704 1.479
58 HB3 TYR 6 1HB TYR 6 -0.877 -0.081 2.877
59 H TRP 7 H TRP 7 0.045 0.695 -1.071
60 HA TRP 7 HA TRP 7 2.483 -0.439 -0.211
61 HD1 TRP 7 HD TRP 7 -0.941 -0.651 -2.059
62 HE1 TRP 7 1HE TRP 7 -1.718 -3.105 -2.209
63 HE3 TRP 7 3HE TRP 7 3.557 -2.794 -2.543
64 HZ2 TRP 7 2HZ TRP 7 -0.504 -5.669 -2.486
65 HZ3 TRP 7 3HZ TRP 7 3.744 -5.263 -2.742
66 HH2 TRP 7 HH TRP 7 1.738 -6.667 -2.707
67 HB2 TRP 7 2HB TRP 7 1.564 0.421 -2.957
68 HB3 TRP 7 1HB TRP 7 2.924 -0.645 -2.608
69 H TRP 8 H TRP 8 2.566 1.836 0.994
70 HA TRP 8 HA TRP 8 3.631 4.049 -0.386
71 HD1 TRP 8 HD TRP 8 3.733 6.554 0.445
72 HE1 TRP 8 1HE TRP 8 5.404 8.206 1.499
73 HE3 TRP 8 3HE TRP 8 5.533 3.598 4.206
74 HZ2 TRP 8 2HZ TRP 8 7.246 8.245 3.641
75 HZ3 TRP 8 3HZ TRP 8 7.248 4.514 5.710
76 HH2 TRP 8 HH TRP 8 8.087 6.786 5.431
77 HB2 TRP 8 2HB TRP 8 2.583 4.217 1.814
78 HB3 TRP 8 1HB TRP 8 3.875 3.256 2.519
79 H ARG 9 H ARG 9 5.054 1.124 0.791
80 HA ARG 9 HA ARG 9 7.256 0.870 -0.525
81 HE ARG 9 HE ARG 9 8.220 5.112 0.240
82 HB2 ARG 9 2HB ARG 9 9.152 1.995 0.601
83 HB3 ARG 9 1HB ARG 9 8.063 3.106 -0.207
84 HG2 ARG 9 2HG ARG 9 7.033 3.644 1.957
85 HG3 ARG 9 1HG ARG 9 8.156 2.541 2.752
86 HD2 ARG 9 2HD ARG 9 8.916 4.849 2.935
87 HD3 ARG 9 1HD ARG 9 10.038 3.885 1.978
88 HH11 ARG 9 1HH1 ARG 9 10.825 5.977 2.398
89 HH12 ARG 9 2HH1 ARG 9 11.269 7.388 1.498
90 HH21 ARG 9 1HH2 ARG 9 8.804 6.968 -0.945
91 HH22 ARG 9 2HH2 ARG 9 10.119 7.953 -0.399
92 HA PRO 10 HA PRO 10 8.111 -1.113 3.722
93 HB2 PRO 10 2HB PRO 10 6.343 -0.862 5.696
94 HB3 PRO 10 1HB PRO 10 7.497 0.432 5.346
95 HG2 PRO 10 2HG PRO 10 4.612 0.212 4.599
96 HG3 PRO 10 1HG PRO 10 5.509 1.624 5.188
97 HD2 PRO 10 2HD PRO 10 4.927 1.103 2.537
98 HD3 PRO 10 1HD PRO 10 6.232 2.160 3.085
99 H SER 11 H SER 11 4.988 -1.118 2.242
100 HA SER 11 HA SER 11 3.870 -3.442 3.309
101 HG SER 11 HG SER 11 4.190 -2.958 -0.250
102 HB2 SER 11 2HB SER 11 2.554 -3.555 1.223
103 HB3 SER 11 1HB SER 11 2.608 -1.914 1.866
104 H ILE 12 H ILE 12 6.620 -3.048 1.322
105 HA ILE 12 HA ILE 12 6.671 -5.366 -0.202
106 HB ILE 12 HB ILE 12 9.018 -4.023 1.150
107 HG12 ILE 12 2HG1 ILE 12 7.819 -3.615 -1.598
108 HG13 ILE 12 1HG1 ILE 12 7.713 -2.485 -0.252
109 HG21 ILE 12 1HG2 ILE 12 10.111 -5.833 0.395
110 HG22 ILE 12 2HG2 ILE 12 9.964 -5.056 -1.182
111 HG23 ILE 12 3HG2 ILE 12 8.803 -6.291 -0.695
112 HD11 ILE 12 3HD1 ILE 12 10.292 -2.523 -0.327
113 HD12 ILE 12 1HD1 ILE 12 9.410 -1.606 -1.546
114 HD13 ILE 12 2HD1 ILE 12 10.070 -3.193 -1.943
Start of MODEL 2
1 HA HIS 1 HA HIS 1 -10.667 -0.032 -4.247
2 HD1 HIS 1 1HD HIS 1 -10.674 3.290 -5.445
3 HD2 HIS 1 2HD HIS 1 -8.761 0.358 -7.682
4 HE1 HIS 1 1HE HIS 1 -11.323 3.737 -7.832
5 HE2 HIS 1 2HE HIS 1 -10.216 1.902 -9.159
6 H1 HIS 1 1HT HIS 1 -10.289 2.759 -3.508
7 H2 HIS 1 2HT HIS 1 -11.339 1.768 -2.581
8 H3 HIS 1 3HT HIS 1 -11.621 1.983 -4.260
9 HB2 HIS 1 2HB HIS 1 -8.372 1.939 -4.379
10 HB3 HIS 1 1HB HIS 1 -8.340 0.301 -5.024
11 HA PRO 2 HA PRO 2 -9.098 -1.930 -0.609
12 HB2 PRO 2 2HB PRO 2 -6.935 -3.347 -1.657
13 HB3 PRO 2 1HB PRO 2 -8.612 -3.901 -1.636
14 HG2 PRO 2 2HG PRO 2 -7.094 -2.530 -3.826
15 HG3 PRO 2 1HG PRO 2 -8.207 -3.911 -3.928
16 HD2 PRO 2 2HD PRO 2 -9.063 -1.516 -4.624
17 HD3 PRO 2 1HD PRO 2 -10.085 -2.558 -3.612
18 H LEU 3 H LEU 3 -6.586 -2.666 0.058
19 HA LEU 3 HA LEU 3 -5.352 -0.105 0.644
20 HG LEU 3 HG LEU 3 -5.833 -3.688 1.527
21 HB2 LEU 3 2HB LEU 3 -3.926 -1.445 2.205
22 HB3 LEU 3 1HB LEU 3 -5.644 -1.437 2.566
23 HD11 LEU 3 1HD1 LEU 3 -2.860 -3.362 1.242
24 HD12 LEU 3 2HD1 LEU 3 -4.043 -3.763 -0.004
25 HD13 LEU 3 3HD1 LEU 3 -3.653 -4.937 1.254
26 HD21 LEU 3 3HD2 LEU 3 -3.702 -4.005 3.551
27 HD22 LEU 3 1HD2 LEU 3 -5.311 -4.725 3.468
28 HD23 LEU 3 2HD2 LEU 3 -5.116 -3.061 4.020
29 H LYS 4 H LYS 4 -5.084 -1.129 -2.041
30 HA LYS 4 HA LYS 4 -2.436 -2.175 -2.293
31 HB2 LYS 4 2HB LYS 4 -4.249 -0.976 -4.387
32 HB3 LYS 4 1HB LYS 4 -2.775 -1.869 -4.714
33 HG2 LYS 4 2HG LYS 4 -5.249 -2.947 -3.394
34 HG3 LYS 4 1HG LYS 4 -4.744 -3.250 -5.055
35 HD2 LYS 4 2HD LYS 4 -3.147 -4.020 -2.614
36 HD3 LYS 4 1HD LYS 4 -4.233 -5.109 -3.472
37 HE2 LYS 4 2HE LYS 4 -2.011 -5.550 -4.221
38 HE3 LYS 4 1HE LYS 4 -2.866 -4.735 -5.527
39 HZ1 LYS 4 3HZ LYS 4 -1.462 -2.941 -3.771
40 HZ2 LYS 4 1HZ LYS 4 -1.460 -3.022 -5.461
41 HZ3 LYS 4 2HZ LYS 4 -0.445 -4.032 -4.563
42 H GLN 5 H GLN 5 -3.877 0.928 -2.167
43 HA GLN 5 HA GLN 5 -1.496 2.259 -3.175
44 HB2 GLN 5 2HB GLN 5 -2.795 4.337 -2.715
45 HB3 GLN 5 1HB GLN 5 -3.585 3.234 -3.832
46 HG2 GLN 5 2HG GLN 5 -5.033 2.440 -2.042
47 HG3 GLN 5 1HG GLN 5 -4.229 3.526 -0.906
48 HE21 GLN 5 1HE2 GLN 5 -5.339 5.278 -0.490
49 HE22 GLN 5 2HE2 GLN 5 -6.392 6.119 -1.597
50 H TYR 6 H TYR 6 -2.090 0.723 -0.446
51 HA TYR 6 HA TYR 6 -1.204 2.765 1.423
52 HD1 TYR 6 2HD TYR 6 -3.500 2.264 0.427
53 HD2 TYR 6 1HD TYR 6 -3.627 0.141 4.108
54 HE1 TYR 6 2HE TYR 6 -5.900 2.746 0.612
55 HE2 TYR 6 1HE TYR 6 -6.035 0.600 4.293
56 HH TYR 6 HH TYR 6 -7.873 1.857 1.709
57 HB2 TYR 6 2HB TYR 6 -1.795 -0.164 1.898
58 HB3 TYR 6 1HB TYR 6 -1.467 1.031 3.143
59 H TRP 7 H TRP 7 0.056 0.177 -0.441
60 HA TRP 7 HA TRP 7 2.412 -0.290 1.034
61 HD1 TRP 7 HD TRP 7 -0.767 -1.365 -1.246
62 HE1 TRP 7 1HE TRP 7 -1.806 -3.561 -0.391
63 HE3 TRP 7 3HE TRP 7 3.427 -3.550 0.503
64 HZ2 TRP 7 2HZ TRP 7 -0.925 -5.933 0.898
65 HZ3 TRP 7 3HZ TRP 7 3.295 -5.787 1.554
66 HH2 TRP 7 HH TRP 7 1.151 -6.949 1.748
67 HB2 TRP 7 2HB TRP 7 1.921 -0.859 -1.890
68 HB3 TRP 7 1HB TRP 7 3.081 -1.655 -0.832
69 H TRP 8 H TRP 8 2.435 2.229 1.068
70 HA TRP 8 HA TRP 8 3.755 3.475 -1.152
71 HD1 TRP 8 HD TRP 8 3.753 5.853 -1.940
72 HE1 TRP 8 1HE TRP 8 5.044 8.074 -1.785
73 HE3 TRP 8 3HE TRP 8 4.339 6.099 3.133
74 HZ2 TRP 8 2HZ TRP 8 6.158 9.716 0.223
75 HZ3 TRP 8 3HZ TRP 8 5.525 8.029 4.092
76 HH2 TRP 8 HH TRP 8 6.415 9.799 2.666
77 HB2 TRP 8 2HB TRP 8 2.211 4.674 0.357
78 HB3 TRP 8 1HB TRP 8 3.351 4.460 1.675
79 H ARG 9 H ARG 9 4.713 2.189 1.997
80 HA ARG 9 HA ARG 9 7.520 2.651 1.225
81 HE ARG 9 HE ARG 9 7.346 4.276 0.577
82 HB2 ARG 9 2HB ARG 9 6.308 2.754 3.977
83 HB3 ARG 9 1HB ARG 9 8.031 2.837 3.648
84 HG2 ARG 9 2HG ARG 9 6.033 4.805 2.563
85 HG3 ARG 9 1HG ARG 9 6.912 5.031 4.075
86 HD2 ARG 9 2HD ARG 9 8.079 6.238 2.390
87 HD3 ARG 9 1HD ARG 9 9.037 4.811 2.765
88 HH11 ARG 9 1HH1 ARG 9 10.202 6.095 1.406
89 HH12 ARG 9 2HH1 ARG 9 10.840 6.062 -0.203
90 HH21 ARG 9 1HH2 ARG 9 8.181 4.231 -1.538
91 HH22 ARG 9 2HH2 ARG 9 9.693 5.006 -1.875
92 HA PRO 10 HA PRO 10 7.204 -1.730 3.161
93 HB2 PRO 10 2HB PRO 10 5.397 -3.314 2.012
94 HB3 PRO 10 1HB PRO 10 4.934 -2.221 3.325
95 HG2 PRO 10 2HG PRO 10 4.622 -1.856 0.364
96 HG3 PRO 10 1HG PRO 10 3.435 -1.583 1.653
97 HD2 PRO 10 2HD PRO 10 4.918 0.423 0.535
98 HD3 PRO 10 1HD PRO 10 4.318 0.464 2.206
99 H SER 11 H SER 11 6.946 -0.719 -0.131
100 HA SER 11 HA SER 11 7.823 -2.984 -1.492
101 HG SER 11 HG SER 11 8.010 0.563 -1.299
102 HB2 SER 11 2HB SER 11 8.574 -1.419 -3.250
103 HB3 SER 11 1HB SER 11 6.968 -1.007 -2.650
104 H ILE 12 H ILE 12 9.516 -0.992 0.716
105 HA ILE 12 HA ILE 12 11.962 -2.497 0.187
106 HB ILE 12 HB ILE 12 12.265 -0.443 -1.096
107 HG12 ILE 12 2HG1 ILE 12 13.898 -0.472 1.453
108 HG13 ILE 12 1HG1 ILE 12 14.225 -1.428 0.011
109 HG21 ILE 12 1HG2 ILE 12 11.833 1.653 -0.355
110 HG22 ILE 12 2HG2 ILE 12 12.294 1.281 1.306
111 HG23 ILE 12 3HG2 ILE 12 10.714 0.787 0.697
112 HD11 ILE 12 3HD1 ILE 12 14.032 1.449 -0.474
113 HD12 ILE 12 1HD1 ILE 12 15.227 0.275 -1.028
114 HD13 ILE 12 2HD1 ILE 12 15.355 0.968 0.589
Start of MODEL 3
1 HA HIS 1 HA HIS 1 -10.808 -0.184 -3.624
2 HD1 HIS 1 1HD HIS 1 -8.193 1.125 -0.820
3 HD2 HIS 1 2HD HIS 1 -9.820 4.451 -2.704
4 HE1 HIS 1 1HE HIS 1 -7.726 3.063 0.714
5 HE2 HIS 1 2HE HIS 1 -8.643 5.077 -0.488
6 H1 HIS 1 1HT HIS 1 -12.453 0.314 -2.049
7 H2 HIS 1 2HT HIS 1 -12.109 1.733 -2.952
8 H3 HIS 1 3HT HIS 1 -11.498 1.559 -1.357
9 HB2 HIS 1 2HB HIS 1 -8.679 1.068 -3.640
10 HB3 HIS 1 1HB HIS 1 -10.049 2.110 -4.009
11 HA PRO 2 HA PRO 2 -8.951 -2.662 -0.465
12 HB2 PRO 2 2HB PRO 2 -7.133 -4.037 -1.842
13 HB3 PRO 2 1HB PRO 2 -8.829 -4.120 -2.309
14 HG2 PRO 2 2HG PRO 2 -6.657 -2.396 -3.464
15 HG3 PRO 2 1HG PRO 2 -7.789 -3.472 -4.311
16 HD2 PRO 2 2HD PRO 2 -8.223 -0.799 -4.037
17 HD3 PRO 2 1HD PRO 2 -9.528 -1.994 -4.124
18 H LEU 3 H LEU 3 -6.020 -3.337 -0.723
19 HA LEU 3 HA LEU 3 -5.048 -1.021 0.705
20 HG LEU 3 HG LEU 3 -4.747 -4.665 -0.036
21 HB2 LEU 3 2HB LEU 3 -3.088 -2.482 1.234
22 HB3 LEU 3 1HB LEU 3 -4.633 -3.048 1.838
23 HD11 LEU 3 1HD1 LEU 3 -3.470 -3.681 -1.744
24 HD12 LEU 3 2HD1 LEU 3 -2.553 -5.095 -1.228
25 HD13 LEU 3 3HD1 LEU 3 -2.066 -3.487 -0.695
26 HD21 LEU 3 3HD2 LEU 3 -2.531 -5.904 0.775
27 HD22 LEU 3 1HD2 LEU 3 -3.975 -5.779 1.779
28 HD23 LEU 3 2HD2 LEU 3 -2.630 -4.666 2.029
29 H LYS 4 H LYS 4 -5.381 -0.879 -2.183
30 HA LYS 4 HA LYS 4 -2.876 -1.067 -3.481
31 HB2 LYS 4 2HB LYS 4 -4.896 -1.067 -4.789
32 HB3 LYS 4 1HB LYS 4 -5.369 0.496 -4.135
33 HG2 LYS 4 2HG LYS 4 -4.544 0.736 -6.398
34 HG3 LYS 4 1HG LYS 4 -3.464 1.545 -5.255
35 HD2 LYS 4 2HD LYS 4 -2.193 0.306 -6.930
36 HD3 LYS 4 1HD LYS 4 -1.953 -0.381 -5.322
37 HE2 LYS 4 2HE LYS 4 -3.592 -2.128 -5.828
38 HE3 LYS 4 1HE LYS 4 -3.835 -1.437 -7.432
39 HZ1 LYS 4 3HZ LYS 4 -1.638 -3.045 -6.419
40 HZ2 LYS 4 1HZ LYS 4 -1.204 -1.774 -7.448
41 HZ3 LYS 4 2HZ LYS 4 -2.289 -2.959 -7.977
42 H GLN 5 H GLN 5 -4.286 1.323 -1.445
43 HA GLN 5 HA GLN 5 -2.444 3.380 -2.340
44 HB2 GLN 5 2HB GLN 5 -4.773 3.967 -1.828
45 HB3 GLN 5 1HB GLN 5 -4.526 3.461 -0.161
46 HG2 GLN 5 2HG GLN 5 -2.874 5.199 0.147
47 HG3 GLN 5 1HG GLN 5 -3.050 5.682 -1.541
48 HE21 GLN 5 1HE2 GLN 5 -4.232 7.418 -1.810
49 HE22 GLN 5 2HE2 GLN 5 -5.576 7.914 -0.816
50 H TYR 6 H TYR 6 -2.289 0.859 -0.179
51 HA TYR 6 HA TYR 6 -0.710 2.269 1.802
52 HD1 TYR 6 1HD TYR 6 -1.631 1.695 4.491
53 HD2 TYR 6 2HD TYR 6 -3.943 0.043 1.339
54 HE1 TYR 6 1HE TYR 6 -3.675 2.563 5.549
55 HE2 TYR 6 2HE TYR 6 -6.003 0.880 2.395
56 HH TYR 6 HH TYR 6 -6.663 2.668 3.968
57 HB2 TYR 6 2HB TYR 6 -1.646 -0.582 1.601
58 HB3 TYR 6 1HB TYR 6 -0.681 0.046 2.939
59 H TRP 7 H TRP 7 0.002 0.721 -1.116
60 HA TRP 7 HA TRP 7 2.460 -0.478 -0.419
61 HD1 TRP 7 HD TRP 7 -1.011 -0.312 -2.478
62 HE1 TRP 7 1HE TRP 7 -2.026 -2.674 -2.665
63 HE3 TRP 7 3HE TRP 7 3.274 -2.942 -2.565
64 HZ2 TRP 7 2HZ TRP 7 -1.075 -5.353 -2.805
65 HZ3 TRP 7 3HZ TRP 7 3.198 -5.413 -2.714
66 HH2 TRP 7 HH TRP 7 1.055 -6.590 -2.826
67 HB2 TRP 7 2HB TRP 7 1.569 0.526 -3.123
68 HB3 TRP 7 1HB TRP 7 2.829 -0.663 -2.803
69 H TRP 8 H TRP 8 2.632 1.802 0.840
70 HA TRP 8 HA TRP 8 3.757 3.978 -0.559
71 HD1 TRP 8 HD TRP 8 3.843 6.453 0.201
72 HE1 TRP 8 1HE TRP 8 5.465 8.162 1.238
73 HE3 TRP 8 3HE TRP 8 5.610 3.639 4.077
74 HZ2 TRP 8 2HZ TRP 8 7.263 8.294 3.417
75 HZ3 TRP 8 3HZ TRP 8 7.280 4.623 5.590
76 HH2 TRP 8 HH TRP 8 8.089 6.898 5.265
77 HB2 TRP 8 2HB TRP 8 2.709 4.133 1.669
78 HB3 TRP 8 1HB TRP 8 4.037 3.204 2.350
79 H ARG 9 H ARG 9 5.101 1.111 0.924
80 HA ARG 9 HA ARG 9 7.216 0.576 -0.469
81 HE ARG 9 HE ARG 9 10.307 4.622 -0.289
82 HB2 ARG 9 2HB ARG 9 9.219 1.713 0.499
83 HB3 ARG 9 1HB ARG 9 8.193 2.732 -0.492
84 HG2 ARG 9 2HG ARG 9 7.237 3.737 1.505
85 HG3 ARG 9 1HG ARG 9 8.211 2.677 2.520
86 HD2 ARG 9 2HD ARG 9 9.148 4.973 2.243
87 HD3 ARG 9 1HD ARG 9 10.238 3.672 1.770
88 HH11 ARG 9 1HH1 ARG 9 7.261 5.492 1.157
89 HH12 ARG 9 2HH1 ARG 9 6.735 6.422 -0.201
90 HH21 ARG 9 1HH2 ARG 9 9.625 5.849 -2.077
91 HH22 ARG 9 2HH2 ARG 9 8.077 6.627 -2.039
92 HA PRO 10 HA PRO 10 8.145 -1.009 3.900
93 HB2 PRO 10 2HB PRO 10 6.534 -0.393 5.933
94 HB3 PRO 10 1HB PRO 10 7.777 0.737 5.383
95 HG2 PRO 10 2HG PRO 10 4.839 0.765 4.894
96 HG3 PRO 10 1HG PRO 10 5.945 2.121 5.166
97 HD2 PRO 10 2HD PRO 10 5.014 1.219 2.686
98 HD3 PRO 10 1HD PRO 10 6.384 2.305 2.936
99 H SER 11 H SER 11 4.912 -0.867 2.675
100 HA SER 11 HA SER 11 3.943 -3.195 4.026
101 HG SER 11 HG SER 11 1.273 -3.303 3.216
102 HB2 SER 11 2HB SER 11 2.391 -1.484 3.213
103 HB3 SER 11 1HB SER 11 2.910 -1.784 1.554
104 H ILE 12 H ILE 12 6.253 -2.835 1.688
105 HA ILE 12 HA ILE 12 5.882 -5.603 0.793
106 HB ILE 12 HB ILE 12 5.038 -4.221 -1.029
107 HG12 ILE 12 2HG1 ILE 12 6.518 -5.026 -2.830
108 HG13 ILE 12 1HG1 ILE 12 7.772 -5.372 -1.642
109 HG21 ILE 12 1HG2 ILE 12 6.286 -2.175 -0.465
110 HG22 ILE 12 2HG2 ILE 12 6.423 -2.601 -2.171
111 HG23 ILE 12 3HG2 ILE 12 7.761 -2.929 -1.071
112 HD11 ILE 12 3HD1 ILE 12 6.623 -7.396 -2.277
113 HD12 ILE 12 1HD1 ILE 12 5.074 -6.690 -1.822
114 HD13 ILE 12 2HD1 ILE 12 6.290 -7.017 -0.587
Start of MODEL 4
1 HA HIS 1 HA HIS 1 -10.778 -0.079 -3.518
2 HD1 HIS 1 1HD HIS 1 -12.670 2.123 -0.741
3 HD2 HIS 1 2HD HIS 1 -8.693 3.330 -0.773
4 HE1 HIS 1 1HE HIS 1 -12.324 3.358 1.423
5 HE2 HIS 1 2HE HIS 1 -9.892 4.018 1.412
6 H1 HIS 1 1HT HIS 1 -12.835 0.868 -2.464
7 H2 HIS 1 2HT HIS 1 -12.229 0.216 -0.996
8 H3 HIS 1 3HT HIS 1 -12.552 -0.817 -2.328
9 HB2 HIS 1 2HB HIS 1 -9.549 1.975 -2.933
10 HB3 HIS 1 1HB HIS 1 -11.254 2.306 -3.226
11 HA PRO 2 HA PRO 2 -8.706 -2.787 -0.528
12 HB2 PRO 2 2HB PRO 2 -6.563 -3.250 -2.239
13 HB3 PRO 2 1HB PRO 2 -8.053 -4.199 -2.192
14 HG2 PRO 2 2HG PRO 2 -7.325 -1.908 -3.986
15 HG3 PRO 2 1HG PRO 2 -8.102 -3.452 -4.402
16 HD2 PRO 2 2HD PRO 2 -9.594 -1.298 -4.175
17 HD3 PRO 2 1HD PRO 2 -10.128 -2.815 -3.417
18 H LEU 3 H LEU 3 -6.125 -3.015 -0.287
19 HA LEU 3 HA LEU 3 -5.309 -0.409 0.715
20 HG LEU 3 HG LEU 3 -4.915 -4.120 0.812
21 HB2 LEU 3 2HB LEU 3 -3.505 -1.670 1.872
22 HB3 LEU 3 1HB LEU 3 -5.132 -2.154 2.312
23 HD11 LEU 3 1HD1 LEU 3 -2.493 -4.696 0.208
24 HD12 LEU 3 2HD1 LEU 3 -2.182 -2.970 0.396
25 HD13 LEU 3 3HD1 LEU 3 -3.348 -3.532 -0.804
26 HD21 LEU 3 3HD2 LEU 3 -4.084 -3.852 3.342
27 HD22 LEU 3 1HD2 LEU 3 -2.566 -4.337 2.586
28 HD23 LEU 3 2HD2 LEU 3 -3.990 -5.370 2.450
29 H LYS 4 H LYS 4 -5.173 -1.202 -2.193
30 HA LYS 4 HA LYS 4 -2.566 -1.623 -3.039
31 HB2 LYS 4 2HB LYS 4 -4.685 0.063 -4.369
32 HB3 LYS 4 1HB LYS 4 -3.244 -0.576 -5.143
33 HG2 LYS 4 2HG LYS 4 -5.446 -2.225 -3.943
34 HG3 LYS 4 1HG LYS 4 -5.236 -1.891 -5.664
35 HD2 LYS 4 2HD LYS 4 -3.039 -2.998 -5.587
36 HD3 LYS 4 1HD LYS 4 -3.297 -3.365 -3.880
37 HE2 LYS 4 2HE LYS 4 -5.275 -4.680 -4.469
38 HE3 LYS 4 1HE LYS 4 -5.008 -4.315 -6.172
39 HZ1 LYS 4 3HZ LYS 4 -3.925 -6.272 -6.101
40 HZ2 LYS 4 1HZ LYS 4 -3.620 -6.189 -4.438
41 HZ3 LYS 4 2HZ LYS 4 -2.646 -5.330 -5.522
42 H GLN 5 H GLN 5 -4.065 1.222 -1.797
43 HA GLN 5 HA GLN 5 -1.912 2.964 -2.649
44 HB2 GLN 5 2HB GLN 5 -3.185 4.700 -1.393
45 HB3 GLN 5 1HB GLN 5 -4.106 3.915 -2.667
46 HG2 GLN 5 2HG GLN 5 -5.220 2.515 -1.020
47 HG3 GLN 5 1HG GLN 5 -4.274 3.263 0.268
48 HE21 GLN 5 1HE2 GLN 5 -5.364 4.704 1.373
49 HE22 GLN 5 2HE2 GLN 5 -6.607 5.755 0.752
50 H TYR 6 H TYR 6 -2.027 0.684 -0.374
51 HA TYR 6 HA TYR 6 -0.846 2.241 1.787
52 HD1 TYR 6 1HD TYR 6 -3.706 0.932 0.870
53 HD2 TYR 6 2HD TYR 6 -2.104 0.366 4.769
54 HE1 TYR 6 1HE TYR 6 -5.870 1.571 1.845
55 HE2 TYR 6 2HE TYR 6 -4.265 1.000 5.755
56 HH TYR 6 HH TYR 6 -6.789 2.405 3.904
57 HB2 TYR 6 2HB TYR 6 -1.567 -0.679 1.566
58 HB3 TYR 6 1HB TYR 6 -0.738 0.007 2.959
59 H TRP 7 H TRP 7 0.173 0.356 -0.878
60 HA TRP 7 HA TRP 7 2.689 -0.460 0.086
61 HD1 TRP 7 HD TRP 7 -0.724 -0.985 -2.013
62 HE1 TRP 7 1HE TRP 7 -1.525 -3.424 -1.788
63 HE3 TRP 7 3HE TRP 7 3.776 -3.208 -1.589
64 HZ2 TRP 7 2HZ TRP 7 -0.350 -5.988 -1.449
65 HZ3 TRP 7 3HZ TRP 7 3.908 -5.664 -1.305
66 HH2 TRP 7 HH TRP 7 1.873 -7.022 -1.233
67 HB2 TRP 7 2HB TRP 7 1.811 -0.050 -2.772
68 HB3 TRP 7 1HB TRP 7 3.152 -1.045 -2.216
69 H TRP 8 H TRP 8 2.657 1.963 0.943
70 HA TRP 8 HA TRP 8 4.059 3.678 -0.943
71 HD1 TRP 8 HD TRP 8 2.954 6.978 2.275
72 HE1 TRP 8 1HE TRP 8 4.450 8.895 1.450
73 HE3 TRP 8 3HE TRP 8 5.341 4.565 -1.562
74 HZ2 TRP 8 2HZ TRP 8 6.374 9.335 -0.556
75 HZ3 TRP 8 3HZ TRP 8 6.988 5.816 -2.882
76 HH2 TRP 8 HH TRP 8 7.495 8.150 -2.390
77 HB2 TRP 8 2HB TRP 8 2.219 4.593 0.450
78 HB3 TRP 8 1HB TRP 8 3.183 4.265 1.882
79 H ARG 9 H ARG 9 5.525 1.507 -0.375
80 HA ARG 9 HA ARG 9 7.836 1.313 -0.046
81 HE ARG 9 HE ARG 9 8.573 4.667 -2.726
82 HB2 ARG 9 2HB ARG 9 7.553 3.283 2.224
83 HB3 ARG 9 1HB ARG 9 9.049 2.613 1.602
84 HG2 ARG 9 2HG ARG 9 7.167 4.408 0.077
85 HG3 ARG 9 1HG ARG 9 8.692 4.890 0.817
86 HD2 ARG 9 2HD ARG 9 9.887 3.313 -0.638
87 HD3 ARG 9 1HD ARG 9 8.357 2.851 -1.384
88 HH11 ARG 9 1HH1 ARG 9 10.403 5.279 0.185
89 HH12 ARG 9 2HH1 ARG 9 10.920 6.850 -0.326
90 HH21 ARG 9 1HH2 ARG 9 9.265 6.729 -3.399
91 HH22 ARG 9 2HH2 ARG 9 10.280 7.671 -2.359
92 HA PRO 10 HA PRO 10 6.578 -0.729 4.144
93 HB2 PRO 10 2HB PRO 10 4.245 -2.008 3.976
94 HB3 PRO 10 1HB PRO 10 4.308 -0.287 4.385
95 HG2 PRO 10 2HG PRO 10 3.789 -1.574 1.724
96 HG3 PRO 10 1HG PRO 10 2.870 -0.290 2.532
97 HD2 PRO 10 2HD PRO 10 4.708 0.222 0.616
98 HD3 PRO 10 1HD PRO 10 4.408 1.335 1.965
99 H SER 11 H SER 11 6.311 -1.737 0.863
100 HA SER 11 HA SER 11 6.629 -4.558 1.477
101 HG SER 11 HG SER 11 5.872 -2.280 -1.519
102 HB2 SER 11 2HB SER 11 6.593 -4.860 -0.976
103 HB3 SER 11 1HB SER 11 5.204 -3.934 -0.409
104 H ILE 12 H ILE 12 8.710 -2.518 2.173
105 HA ILE 12 HA ILE 12 10.982 -2.422 2.275
106 HB ILE 12 HB ILE 12 10.884 -5.071 0.820
107 HG12 ILE 12 2HG1 ILE 12 9.672 -5.136 2.948
108 HG13 ILE 12 1HG1 ILE 12 11.166 -6.061 3.058
109 HG21 ILE 12 1HG2 ILE 12 13.115 -3.854 2.446
110 HG22 ILE 12 2HG2 ILE 12 13.064 -3.925 0.683
111 HG23 ILE 12 3HG2 ILE 12 13.139 -5.415 1.624
112 HD11 ILE 12 3HD1 ILE 12 12.228 -4.257 4.260
113 HD12 ILE 12 1HD1 ILE 12 10.729 -4.723 5.062
114 HD13 ILE 12 2HD1 ILE 12 10.786 -3.258 4.082
Start of MODEL 5
1 HA HIS 1 HA HIS 1 -10.686 -0.201 -4.632
2 HD1 HIS 1 1HD HIS 1 -8.030 2.908 -6.832
3 HD2 HIS 1 2HD HIS 1 -11.816 1.277 -6.314
4 HE1 HIS 1 1HE HIS 1 -9.336 3.578 -8.873
5 HE2 HIS 1 2HE HIS 1 -11.644 2.635 -8.507
6 H1 HIS 1 1HT HIS 1 -11.443 2.250 -4.363
7 H2 HIS 1 2HT HIS 1 -11.141 1.921 -2.710
8 H3 HIS 1 3HT HIS 1 -12.255 0.956 -3.587
9 HB2 HIS 1 2HB HIS 1 -8.872 2.191 -4.228
10 HB3 HIS 1 1HB HIS 1 -8.396 0.704 -5.040
11 HA PRO 2 HA PRO 2 -9.085 -2.278 -1.099
12 HB2 PRO 2 2HB PRO 2 -6.742 -3.333 -2.131
13 HB3 PRO 2 1HB PRO 2 -8.348 -4.034 -2.366
14 HG2 PRO 2 2HG PRO 2 -6.803 -2.193 -4.164
15 HG3 PRO 2 1HG PRO 2 -7.692 -3.676 -4.579
16 HD2 PRO 2 2HD PRO 2 -8.818 -1.334 -5.038
17 HD3 PRO 2 1HD PRO 2 -9.766 -2.641 -4.297
18 H LEU 3 H LEU 3 -6.519 -2.764 -0.390
19 HA LEU 3 HA LEU 3 -5.662 -0.137 0.517
20 HG LEU 3 HG LEU 3 -5.509 -3.854 0.906
21 HB2 LEU 3 2HB LEU 3 -4.182 -1.395 2.053
22 HB3 LEU 3 1HB LEU 3 -5.882 -1.783 2.233
23 HD11 LEU 3 1HD1 LEU 3 -2.688 -2.851 0.939
24 HD12 LEU 3 2HD1 LEU 3 -3.637 -3.463 -0.416
25 HD13 LEU 3 3HD1 LEU 3 -3.045 -4.574 0.819
26 HD21 LEU 3 3HD2 LEU 3 -4.426 -5.086 2.686
27 HD22 LEU 3 1HD2 LEU 3 -5.494 -3.858 3.364
28 HD23 LEU 3 2HD2 LEU 3 -3.751 -3.594 3.340
29 H LYS 4 H LYS 4 -5.154 -1.257 -2.258
30 HA LYS 4 HA LYS 4 -2.496 -1.907 -2.643
31 HB2 LYS 4 2HB LYS 4 -4.142 -2.077 -4.418
32 HB3 LYS 4 1HB LYS 4 -4.347 -0.331 -4.434
33 HG2 LYS 4 2HG LYS 4 -2.037 -0.067 -5.186
34 HG3 LYS 4 1HG LYS 4 -1.838 -1.821 -5.178
35 HD2 LYS 4 2HD LYS 4 -3.791 -0.265 -6.873
36 HD3 LYS 4 1HD LYS 4 -2.284 -0.994 -7.434
37 HE2 LYS 4 2HE LYS 4 -3.136 -3.209 -6.824
38 HE3 LYS 4 1HE LYS 4 -4.646 -2.475 -6.279
39 HZ1 LYS 4 3HZ LYS 4 -5.308 -2.033 -8.410
40 HZ2 LYS 4 1HZ LYS 4 -4.447 -3.468 -8.662
41 HZ3 LYS 4 2HZ LYS 4 -3.732 -1.979 -9.026
42 H GLN 5 H GLN 5 -3.883 1.132 -1.819
43 HA GLN 5 HA GLN 5 -1.502 2.609 -2.596
44 HB2 GLN 5 2HB GLN 5 -2.739 4.579 -1.763
45 HB3 GLN 5 1HB GLN 5 -3.598 3.692 -3.015
46 HG2 GLN 5 2HG GLN 5 -4.990 2.634 -1.318
47 HG3 GLN 5 1HG GLN 5 -4.124 3.512 -0.057
48 HE21 GLN 5 1HE2 GLN 5 -6.874 3.461 -1.791
49 HE22 GLN 5 2HE2 GLN 5 -7.302 5.151 -1.736
50 H TYR 6 H TYR 6 -2.200 0.703 -0.030
51 HA TYR 6 HA TYR 6 -1.185 2.456 2.024
52 HD1 TYR 6 1HD TYR 6 -3.952 1.061 0.835
53 HD2 TYR 6 2HD TYR 6 -2.992 1.100 4.979
54 HE1 TYR 6 1HE TYR 6 -6.213 1.882 1.346
55 HE2 TYR 6 2HE TYR 6 -5.252 1.916 5.502
56 HH TYR 6 HH TYR 6 -7.490 1.917 4.490
57 HB2 TYR 6 2HB TYR 6 -2.014 -0.440 2.082
58 HB3 TYR 6 1HB TYR 6 -1.386 0.416 3.487
59 H TRP 7 H TRP 7 0.075 0.057 -0.112
60 HA TRP 7 HA TRP 7 2.512 -0.151 1.438
61 HD1 TRP 7 HD TRP 7 -0.569 -1.597 -0.938
62 HE1 TRP 7 1HE TRP 7 -0.893 -1.927 -3.489
63 HE3 TRP 7 3HE TRP 7 4.280 -1.764 -2.296
64 HZ2 TRP 7 2HZ TRP 7 0.755 -2.196 -5.789
65 HZ3 TRP 7 3HZ TRP 7 4.879 -2.048 -4.681
66 HH2 TRP 7 HH TRP 7 3.141 -2.255 -6.391
67 HB2 TRP 7 2HB TRP 7 3.221 -1.817 -0.238
68 HB3 TRP 7 1HB TRP 7 1.711 -2.237 0.565
69 H TRP 8 H TRP 8 2.487 2.266 0.937
70 HA TRP 8 HA TRP 8 3.415 3.120 -1.604
71 HD1 TRP 8 HD TRP 8 3.202 5.442 -2.649
72 HE1 TRP 8 1HE TRP 8 4.608 7.550 -3.103
73 HE3 TRP 8 3HE TRP 8 5.215 6.096 2.005
74 HZ2 TRP 8 2HZ TRP 8 6.341 9.263 -1.677
75 HZ3 TRP 8 3HZ TRP 8 6.738 7.990 2.375
76 HH2 TRP 8 HH TRP 8 7.288 9.541 0.571
77 HB2 TRP 8 2HB TRP 8 2.303 4.586 0.044
78 HB3 TRP 8 1HB TRP 8 3.709 4.464 1.086
79 H ARG 9 H ARG 9 5.020 2.297 1.448
80 HA ARG 9 HA ARG 9 7.519 1.987 -0.047
81 HE ARG 9 HE ARG 9 7.919 6.333 -1.251
82 HB2 ARG 9 2HB ARG 9 7.228 3.648 2.448
83 HB3 ARG 9 1HB ARG 9 8.768 3.178 1.741
84 HG2 ARG 9 2HG ARG 9 6.665 4.827 0.355
85 HG3 ARG 9 1HG ARG 9 8.105 5.469 1.146
86 HD2 ARG 9 2HD ARG 9 9.515 4.202 -0.395
87 HD3 ARG 9 1HD ARG 9 8.079 3.541 -1.174
88 HH11 ARG 9 1HH1 ARG 9 9.834 3.749 -2.608
89 HH12 ARG 9 2HH1 ARG 9 10.214 4.623 -4.053
90 HH21 ARG 9 1HH2 ARG 9 8.421 7.483 -3.153
91 HH22 ARG 9 2HH2 ARG 9 9.415 6.744 -4.362
92 HA PRO 10 HA PRO 10 7.048 -0.847 3.885
93 HB2 PRO 10 2HB PRO 10 5.416 -2.856 3.133
94 HB3 PRO 10 1HB PRO 10 4.804 -1.391 3.916
95 HG2 PRO 10 2HG PRO 10 4.932 -2.036 0.981
96 HG3 PRO 10 1HG PRO 10 3.547 -1.463 1.932
97 HD2 PRO 10 2HD PRO 10 4.997 0.264 0.497
98 HD3 PRO 10 1HD PRO 10 4.407 0.694 2.117
99 H SER 11 H SER 11 7.265 -1.370 0.460
100 HA SER 11 HA SER 11 8.438 -3.926 0.462
101 HG SER 11 HG SER 11 8.902 -4.114 -2.580
102 HB2 SER 11 2HB SER 11 7.526 -2.911 -1.570
103 HB3 SER 11 1HB SER 11 8.771 -1.665 -1.523
104 H ILE 12 H ILE 12 9.648 -0.994 1.631
105 HA ILE 12 HA ILE 12 12.311 -2.168 1.863
106 HB ILE 12 HB ILE 12 13.415 -0.057 1.249
107 HG12 ILE 12 2HG1 ILE 12 10.642 0.795 0.380
108 HG13 ILE 12 1HG1 ILE 12 11.561 1.479 1.716
109 HG21 ILE 12 1HG2 ILE 12 13.540 -0.607 -0.944
110 HG22 ILE 12 2HG2 ILE 12 11.790 -0.634 -1.152
111 HG23 ILE 12 3HG2 ILE 12 12.610 -2.002 -0.399
112 HD11 ILE 12 3HD1 ILE 12 11.543 2.813 -0.411
113 HD12 ILE 12 1HD1 ILE 12 12.525 1.535 -1.127
114 HD13 ILE 12 2HD1 ILE 12 13.137 2.452 0.250
Start of MODEL 6
1 HA HIS 1 HA HIS 1 -10.469 0.922 -3.154
2 HD1 HIS 1 1HD HIS 1 -11.964 3.771 0.581
3 HD2 HIS 1 2HD HIS 1 -12.015 -0.368 0.220
4 HE1 HIS 1 1HE HIS 1 -12.975 2.922 2.720
5 HE2 HIS 1 2HE HIS 1 -12.899 0.412 2.521
6 H1 HIS 1 1HT HIS 1 -12.275 -0.743 -1.647
7 H2 HIS 1 2HT HIS 1 -12.144 -0.475 -3.337
8 H3 HIS 1 3HT HIS 1 -12.943 0.673 -2.344
9 HB2 HIS 1 2HB HIS 1 -10.218 2.503 -1.277
10 HB3 HIS 1 1HB HIS 1 -11.818 2.602 -2.003
11 HA PRO 2 HA PRO 2 -8.821 -2.778 -0.772
12 HB2 PRO 2 2HB PRO 2 -6.760 -3.034 -2.626
13 HB3 PRO 2 1HB PRO 2 -8.285 -3.927 -2.667
14 HG2 PRO 2 2HG PRO 2 -7.530 -1.406 -4.104
15 HG3 PRO 2 1HG PRO 2 -8.387 -2.834 -4.725
16 HD2 PRO 2 2HD PRO 2 -9.778 -0.690 -4.091
17 HD3 PRO 2 1HD PRO 2 -10.347 -2.289 -3.563
18 H LEU 3 H LEU 3 -6.201 -3.115 -0.746
19 HA LEU 3 HA LEU 3 -5.276 -0.760 0.684
20 HG LEU 3 HG LEU 3 -4.953 -4.419 0.039
21 HB2 LEU 3 2HB LEU 3 -3.421 -2.231 1.448
22 HB3 LEU 3 1HB LEU 3 -5.024 -2.779 1.902
23 HD11 LEU 3 1HD1 LEU 3 -2.229 -3.235 -0.339
24 HD12 LEU 3 2HD1 LEU 3 -3.485 -3.538 -1.539
25 HD13 LEU 3 3HD1 LEU 3 -2.594 -4.888 -0.838
26 HD21 LEU 3 3HD2 LEU 3 -3.946 -5.970 1.336
27 HD22 LEU 3 1HD2 LEU 3 -3.944 -4.652 2.507
28 HD23 LEU 3 2HD2 LEU 3 -2.493 -4.996 1.565
29 H LYS 4 H LYS 4 -5.336 -0.953 -2.320
30 HA LYS 4 HA LYS 4 -2.775 -1.204 -3.376
31 HB2 LYS 4 2HB LYS 4 -4.925 0.716 -4.262
32 HB3 LYS 4 1HB LYS 4 -3.562 0.171 -5.222
33 HG2 LYS 4 2HG LYS 4 -5.620 -1.723 -4.146
34 HG3 LYS 4 1HG LYS 4 -5.825 -0.886 -5.680
35 HD2 LYS 4 2HD LYS 4 -4.942 -3.083 -6.101
36 HD3 LYS 4 1HD LYS 4 -3.695 -1.895 -6.459
37 HE2 LYS 4 2HE LYS 4 -2.586 -2.369 -4.373
38 HE3 LYS 4 1HE LYS 4 -3.888 -3.450 -3.883
39 HZ1 LYS 4 3HZ LYS 4 -1.698 -3.890 -5.746
40 HZ2 LYS 4 1HZ LYS 4 -3.192 -4.555 -6.187
41 HZ3 LYS 4 2HZ LYS 4 -2.477 -4.980 -4.714
42 H GLN 5 H GLN 5 -4.198 1.326 -1.531
43 HA GLN 5 HA GLN 5 -2.104 3.226 -2.162
44 HB2 GLN 5 2HB GLN 5 -3.290 4.686 -0.546
45 HB3 GLN 5 1HB GLN 5 -4.320 4.107 -1.848
46 HG2 GLN 5 2HG GLN 5 -5.266 2.422 -0.368
47 HG3 GLN 5 1HG GLN 5 -4.219 2.976 0.939
48 HE21 GLN 5 1HE2 GLN 5 -5.195 4.220 2.349
49 HE22 GLN 5 2HE2 GLN 5 -6.511 5.314 2.018
50 H TYR 6 H TYR 6 -2.078 0.542 -0.375
51 HA TYR 6 HA TYR 6 -0.758 1.657 1.971
52 HD1 TYR 6 1HD TYR 6 -3.675 0.526 1.009
53 HD2 TYR 6 2HD TYR 6 -1.818 -0.792 4.600
54 HE1 TYR 6 1HE TYR 6 -5.769 0.932 2.232
55 HE2 TYR 6 2HE TYR 6 -3.906 -0.394 5.834
56 HH TYR 6 HH TYR 6 -6.309 -0.222 5.382
57 HB2 TYR 6 2HB TYR 6 -1.498 -1.170 1.225
58 HB3 TYR 6 1HB TYR 6 -0.576 -0.766 2.669
59 H TRP 7 H TRP 7 0.081 0.354 -1.078
60 HA TRP 7 HA TRP 7 2.656 -0.594 -0.434
61 HD1 TRP 7 HD TRP 7 -0.876 -0.772 -2.401
62 HE1 TRP 7 1HE TRP 7 -1.656 -3.224 -2.558
63 HE3 TRP 7 3HE TRP 7 3.647 -2.981 -2.604
64 HZ2 TRP 7 2HZ TRP 7 -0.457 -5.794 -2.724
65 HZ3 TRP 7 3HZ TRP 7 3.800 -5.447 -2.750
66 HH2 TRP 7 HH TRP 7 1.778 -6.823 -2.803
67 HB2 TRP 7 2HB TRP 7 1.602 0.315 -3.112
68 HB3 TRP 7 1HB TRP 7 2.978 -0.745 -2.827
69 H TRP 8 H TRP 8 2.637 1.673 0.838
70 HA TRP 8 HA TRP 8 3.544 3.941 -0.604
71 HD1 TRP 8 HD TRP 8 3.419 6.442 0.131
72 HE1 TRP 8 1HE TRP 8 4.943 8.269 1.114
73 HE3 TRP 8 3HE TRP 8 5.457 3.801 4.002
74 HZ2 TRP 8 2HZ TRP 8 6.772 8.549 3.249
75 HZ3 TRP 8 3HZ TRP 8 7.086 4.917 5.466
76 HH2 TRP 8 HH TRP 8 7.730 7.242 5.095
77 HB2 TRP 8 2HB TRP 8 2.466 4.070 1.603
78 HB3 TRP 8 1HB TRP 8 3.845 3.248 2.323
79 H ARG 9 H ARG 9 5.097 1.186 0.845
80 HA ARG 9 HA ARG 9 7.310 0.916 -0.492
81 HE ARG 9 HE ARG 9 10.903 4.330 1.057
82 HB2 ARG 9 2HB ARG 9 9.154 2.189 0.579
83 HB3 ARG 9 1HB ARG 9 8.039 3.189 -0.332
84 HG2 ARG 9 2HG ARG 9 6.955 3.872 1.755
85 HG3 ARG 9 1HG ARG 9 8.088 2.870 2.662
86 HD2 ARG 9 2HD ARG 9 8.815 5.205 0.896
87 HD3 ARG 9 1HD ARG 9 8.762 5.225 2.656
88 HH11 ARG 9 1HH1 ARG 9 9.192 3.549 4.000
89 HH12 ARG 9 2HH1 ARG 9 10.530 2.699 4.697
90 HH21 ARG 9 1HH2 ARG 9 12.663 3.219 1.979
91 HH22 ARG 9 2HH2 ARG 9 12.498 2.512 3.552
92 HA PRO 10 HA PRO 10 8.148 -0.829 3.828
93 HB2 PRO 10 2HB PRO 10 6.540 -0.280 5.868
94 HB3 PRO 10 1HB PRO 10 7.715 0.916 5.307
95 HG2 PRO 10 2HG PRO 10 4.773 0.792 4.852
96 HG3 PRO 10 1HG PRO 10 5.810 2.206 5.105
97 HD2 PRO 10 2HD PRO 10 4.903 1.206 2.635
98 HD3 PRO 10 1HD PRO 10 6.169 2.415 2.868
99 H SER 11 H SER 11 4.870 -0.748 2.664
100 HA SER 11 HA SER 11 4.217 -3.304 3.887
101 HG SER 11 HG SER 11 3.095 -0.818 4.283
102 HB2 SER 11 2HB SER 11 2.602 -1.526 2.040
103 HB3 SER 11 1HB SER 11 2.005 -2.985 2.830
104 H ILE 12 H ILE 12 6.289 -2.794 1.670
105 HA ILE 12 HA ILE 12 5.255 -4.835 -0.195
106 HB ILE 12 HB ILE 12 5.525 -2.632 -1.277
107 HG12 ILE 12 2HG1 ILE 12 5.868 -4.725 -2.571
108 HG13 ILE 12 1HG1 ILE 12 6.796 -3.372 -3.205
109 HG21 ILE 12 1HG2 ILE 12 8.436 -2.652 -1.309
110 HG22 ILE 12 2HG2 ILE 12 7.761 -2.390 0.299
111 HG23 ILE 12 3HG2 ILE 12 7.311 -1.322 -1.031
112 HD11 ILE 12 3HD1 ILE 12 8.412 -4.935 -3.279
113 HD12 ILE 12 1HD1 ILE 12 7.704 -5.891 -1.977
114 HD13 ILE 12 2HD1 ILE 12 8.642 -4.446 -1.600
Start of MODEL 7
1 HA HIS 1 HA HIS 1 -9.126 -2.265 -5.567
2 HD1 HIS 1 1HD HIS 1 -7.415 1.424 -7.808
3 HD2 HIS 1 2HD HIS 1 -10.065 -1.776 -7.823
4 HE1 HIS 1 1HE HIS 1 -8.063 1.099 -10.215
5 HE2 HIS 1 2HE HIS 1 -9.604 -0.893 -10.209
6 H1 HIS 1 1HT HIS 1 -10.850 0.061 -5.218
7 H2 HIS 1 2HT HIS 1 -11.287 -1.455 -4.542
8 H3 HIS 1 3HT HIS 1 -11.040 -1.306 -6.232
9 HB2 HIS 1 2HB HIS 1 -8.723 0.730 -5.409
10 HB3 HIS 1 1HB HIS 1 -7.426 -0.439 -5.624
11 HA PRO 2 HA PRO 2 -8.676 -2.774 -1.166
12 HB2 PRO 2 2HB PRO 2 -6.106 -3.791 -1.224
13 HB3 PRO 2 1HB PRO 2 -7.564 -4.743 -1.518
14 HG2 PRO 2 2HG PRO 2 -5.724 -3.442 -3.498
15 HG3 PRO 2 1HG PRO 2 -6.398 -5.088 -3.512
16 HD2 PRO 2 2HD PRO 2 -7.500 -3.227 -5.029
17 HD3 PRO 2 1HD PRO 2 -8.529 -4.324 -4.085
18 H LEU 3 H LEU 3 -6.310 -2.623 0.158
19 HA LEU 3 HA LEU 3 -5.840 0.246 0.187
20 HG LEU 3 HG LEU 3 -5.707 -3.033 1.974
21 HB2 LEU 3 2HB LEU 3 -4.641 -0.229 2.324
22 HB3 LEU 3 1HB LEU 3 -6.339 -0.663 2.318
23 HD11 LEU 3 1HD1 LEU 3 -2.934 -1.897 2.112
24 HD12 LEU 3 2HD1 LEU 3 -3.631 -2.967 0.894
25 HD13 LEU 3 3HD1 LEU 3 -3.278 -3.580 2.509
26 HD21 LEU 3 3HD2 LEU 3 -5.484 -3.389 4.195
27 HD22 LEU 3 1HD2 LEU 3 -5.806 -1.657 4.267
28 HD23 LEU 3 2HD2 LEU 3 -4.147 -2.250 4.356
29 H LYS 4 H LYS 4 -4.670 -1.493 -1.916
30 HA LYS 4 HA LYS 4 -1.976 -1.970 -1.531
31 HB2 LYS 4 2HB LYS 4 -1.858 -2.039 -3.922
32 HB3 LYS 4 1HB LYS 4 -3.346 -2.762 -3.384
33 HG2 LYS 4 2HG LYS 4 -4.571 -0.756 -3.966
34 HG3 LYS 4 1HG LYS 4 -3.069 0.006 -4.499
35 HD2 LYS 4 2HD LYS 4 -2.795 -1.694 -6.217
36 HD3 LYS 4 1HD LYS 4 -4.257 -2.512 -5.663
37 HE2 LYS 4 2HE LYS 4 -4.723 -1.167 -7.628
38 HE3 LYS 4 1HE LYS 4 -5.572 -0.535 -6.222
39 HZ1 LYS 4 3HZ LYS 4 -4.617 1.415 -6.577
40 HZ2 LYS 4 1HZ LYS 4 -3.778 0.798 -7.910
41 HZ3 LYS 4 2HZ LYS 4 -3.084 0.730 -6.370
42 H GLN 5 H GLN 5 -3.699 0.950 -2.190
43 HA GLN 5 HA GLN 5 -1.365 2.465 -2.915
44 HB2 GLN 5 2HB GLN 5 -2.860 4.405 -2.817
45 HB3 GLN 5 1HB GLN 5 -3.529 3.111 -3.801
46 HG2 GLN 5 2HG GLN 5 -4.978 2.452 -1.948
47 HG3 GLN 5 1HG GLN 5 -4.306 3.751 -0.964
48 HE21 GLN 5 1HE2 GLN 5 -5.566 5.443 -0.830
49 HE22 GLN 5 2HE2 GLN 5 -6.642 6.027 -2.070
50 H TYR 6 H TYR 6 -2.309 1.136 -0.076
51 HA TYR 6 HA TYR 6 -1.645 3.425 1.606
52 HD1 TYR 6 1HD TYR 6 -4.176 1.639 0.438
53 HD2 TYR 6 2HD TYR 6 -3.857 2.703 4.545
54 HE1 TYR 6 1HE TYR 6 -6.511 2.404 0.414
55 HE2 TYR 6 2HE TYR 6 -6.193 3.471 4.533
56 HH TYR 6 HH TYR 6 -7.823 4.369 2.373
57 HB2 TYR 6 2HB TYR 6 -2.406 0.588 2.303
58 HB3 TYR 6 1HB TYR 6 -2.017 1.819 3.497
59 H TRP 7 H TRP 7 -0.132 0.630 0.289
60 HA TRP 7 HA TRP 7 1.997 0.311 2.060
61 HD1 TRP 7 HD TRP 7 -0.856 -0.941 -0.245
62 HE1 TRP 7 1HE TRP 7 -1.690 -3.265 0.485
63 HE3 TRP 7 3HE TRP 7 3.531 -2.854 1.283
64 HZ2 TRP 7 2HZ TRP 7 -0.579 -5.634 1.599
65 HZ3 TRP 7 3HZ TRP 7 3.626 -5.159 2.186
66 HH2 TRP 7 HH TRP 7 1.596 -6.517 2.340
67 HB2 TRP 7 2HB TRP 7 1.863 -0.225 -0.912
68 HB3 TRP 7 1HB TRP 7 3.030 -0.916 0.212
69 H TRP 8 H TRP 8 2.874 1.267 -1.188
70 HA TRP 8 HA TRP 8 4.037 3.052 -2.013
71 HD1 TRP 8 HD TRP 8 4.241 5.340 -2.940
72 HE1 TRP 8 1HE TRP 8 5.729 7.442 -2.955
73 HE3 TRP 8 3HE TRP 8 4.947 5.869 2.092
74 HZ2 TRP 8 2HZ TRP 8 7.027 9.107 -1.073
75 HZ3 TRP 8 3HZ TRP 8 6.319 7.739 2.905
76 HH2 TRP 8 HH TRP 8 7.337 9.319 1.356
77 HB2 TRP 8 2HB TRP 8 2.654 4.474 -0.490
78 HB3 TRP 8 1HB TRP 8 3.842 4.224 0.768
79 H ARG 9 H ARG 9 4.903 2.164 1.285
80 HA ARG 9 HA ARG 9 7.730 2.199 0.525
81 HE ARG 9 HE ARG 9 7.522 3.819 -0.178
82 HB2 ARG 9 2HB ARG 9 6.525 2.362 3.271
83 HB3 ARG 9 1HB ARG 9 8.224 2.569 2.862
84 HG2 ARG 9 2HG ARG 9 6.072 4.313 1.727
85 HG3 ARG 9 1HG ARG 9 6.866 4.680 3.263
86 HD2 ARG 9 2HD ARG 9 7.977 5.930 1.562
87 HD3 ARG 9 1HD ARG 9 9.053 4.622 2.042
88 HH11 ARG 9 1HH1 ARG 9 10.132 5.972 0.664
89 HH12 ARG 9 2HH1 ARG 9 10.837 5.935 -0.916
90 HH21 ARG 9 1HH2 ARG 9 8.446 3.767 -2.258
91 HH22 ARG 9 2HH2 ARG 9 9.879 4.686 -2.576
92 HA PRO 10 HA PRO 10 7.277 -1.984 2.685
93 HB2 PRO 10 2HB PRO 10 4.858 -2.954 3.300
94 HB3 PRO 10 1HB PRO 10 5.665 -1.759 4.321
95 HG2 PRO 10 2HG PRO 10 3.396 -1.418 2.451
96 HG3 PRO 10 1HG PRO 10 3.775 -0.524 3.929
97 HD2 PRO 10 2HD PRO 10 4.307 0.240 1.245
98 HD3 PRO 10 1HD PRO 10 4.819 1.087 2.714
99 H SER 11 H SER 11 4.999 -1.207 0.164
100 HA SER 11 HA SER 11 4.914 -3.923 -0.837
101 HG SER 11 HG SER 11 2.527 -2.962 -3.200
102 HB2 SER 11 2HB SER 11 2.915 -2.535 -1.064
103 HB3 SER 11 1HB SER 11 3.821 -1.348 -2.002
104 H ILE 12 H ILE 12 7.296 -1.801 -0.763
105 HA ILE 12 HA ILE 12 8.115 -2.074 -3.567
106 HB ILE 12 HB ILE 12 9.387 -0.478 -1.337
107 HG12 ILE 12 2HG1 ILE 12 7.198 0.408 -1.986
108 HG13 ILE 12 1HG1 ILE 12 8.486 1.480 -2.526
109 HG21 ILE 12 1HG2 ILE 12 10.170 -1.038 -4.136
110 HG22 ILE 12 2HG2 ILE 12 11.170 -0.708 -2.721
111 HG23 ILE 12 3HG2 ILE 12 10.372 0.618 -3.564
112 HD11 ILE 12 3HD1 ILE 12 6.418 0.301 -4.044
113 HD12 ILE 12 1HD1 ILE 12 7.948 -0.371 -4.605
114 HD13 ILE 12 2HD1 ILE 12 7.705 1.375 -4.587
Start of MODEL 8
1 HA HIS 1 HA HIS 1 -11.081 1.109 -2.311
2 HD1 HIS 1 1HD HIS 1 -8.622 5.083 -0.740
3 HD2 HIS 1 2HD HIS 1 -10.285 1.958 1.434
4 HE1 HIS 1 1HE HIS 1 -8.166 5.625 1.672
5 HE2 HIS 1 2HE HIS 1 -9.102 3.674 2.963
6 H1 HIS 1 1HT HIS 1 -12.028 2.541 -0.226
7 H2 HIS 1 2HT HIS 1 -11.685 1.000 0.445
8 H3 HIS 1 3HT HIS 1 -12.719 1.134 -0.917
9 HB2 HIS 1 2HB HIS 1 -9.123 2.636 -2.045
10 HB3 HIS 1 1HB HIS 1 -10.676 3.456 -1.913
11 HA PRO 2 HA PRO 2 -8.842 -2.401 -0.760
12 HB2 PRO 2 2HB PRO 2 -6.929 -2.447 -2.782
13 HB3 PRO 2 1HB PRO 2 -8.519 -3.214 -2.863
14 HG2 PRO 2 2HG PRO 2 -7.658 -0.534 -3.890
15 HG3 PRO 2 1HG PRO 2 -8.675 -1.762 -4.676
16 HD2 PRO 2 2HD PRO 2 -9.825 0.335 -3.562
17 HD3 PRO 2 1HD PRO 2 -10.498 -1.290 -3.293
18 H LEU 3 H LEU 3 -6.293 -2.938 -0.948
19 HA LEU 3 HA LEU 3 -5.066 -0.944 0.775
20 HG LEU 3 HG LEU 3 -5.101 -4.455 -0.500
21 HB2 LEU 3 2HB LEU 3 -3.348 -2.679 1.199
22 HB3 LEU 3 1HB LEU 3 -4.978 -3.169 1.621
23 HD11 LEU 3 1HD1 LEU 3 -3.604 -3.464 -1.972
24 HD12 LEU 3 2HD1 LEU 3 -2.792 -4.960 -1.515
25 HD13 LEU 3 3HD1 LEU 3 -2.303 -3.433 -0.783
26 HD21 LEU 3 3HD2 LEU 3 -3.888 -6.307 0.297
27 HD22 LEU 3 1HD2 LEU 3 -4.344 -5.389 1.731
28 HD23 LEU 3 2HD2 LEU 3 -2.700 -5.284 1.102
29 H LYS 4 H LYS 4 -5.275 -0.752 -2.269
30 HA LYS 4 HA LYS 4 -2.790 -1.045 -3.458
31 HB2 LYS 4 2HB LYS 4 -4.832 1.109 -3.989
32 HB3 LYS 4 1HB LYS 4 -3.518 0.651 -5.062
33 HG2 LYS 4 2HG LYS 4 -4.487 -1.588 -5.275
34 HG3 LYS 4 1HG LYS 4 -5.819 -1.089 -4.228
35 HD2 LYS 4 2HD LYS 4 -6.486 0.602 -5.837
36 HD3 LYS 4 1HD LYS 4 -5.113 0.191 -6.868
37 HE2 LYS 4 2HE LYS 4 -6.016 -2.058 -7.172
38 HE3 LYS 4 1HE LYS 4 -7.385 -1.651 -6.140
39 HZ1 LYS 4 3HZ LYS 4 -8.323 -1.195 -8.125
40 HZ2 LYS 4 1HZ LYS 4 -6.848 -0.890 -8.896
41 HZ3 LYS 4 2HZ LYS 4 -7.553 0.298 -7.921
42 H GLN 5 H GLN 5 -3.859 1.278 -1.174
43 HA GLN 5 HA GLN 5 -1.650 3.087 -1.709
44 HB2 GLN 5 2HB GLN 5 -2.629 4.380 0.182
45 HB3 GLN 5 1HB GLN 5 -3.724 4.128 -1.170
46 HG2 GLN 5 2HG GLN 5 -4.825 2.328 0.034
47 HG3 GLN 5 1HG GLN 5 -3.706 2.532 1.383
48 HE21 GLN 5 1HE2 GLN 5 -4.540 3.590 3.021
49 HE22 GLN 5 2HE2 GLN 5 -5.732 4.858 2.930
50 H TYR 6 H TYR 6 -1.726 0.208 -0.325
51 HA TYR 6 HA TYR 6 -0.293 0.898 2.105
52 HD1 TYR 6 1HD TYR 6 -3.290 0.108 1.172
53 HD2 TYR 6 2HD TYR 6 -1.345 -1.877 4.391
54 HE1 TYR 6 1HE TYR 6 -5.280 0.447 2.578
55 HE2 TYR 6 2HE TYR 6 -3.330 -1.548 5.804
56 HH TYR 6 HH TYR 6 -6.330 -0.468 4.534
57 HB2 TYR 6 2HB TYR 6 -1.230 -1.733 0.986
58 HB3 TYR 6 1HB TYR 6 -0.208 -1.622 2.416
59 H TRP 7 H TRP 7 0.359 -0.186 -1.100
60 HA TRP 7 HA TRP 7 3.096 -0.851 -0.403
61 HD1 TRP 7 HD TRP 7 -0.501 -1.403 -2.383
62 HE1 TRP 7 1HE TRP 7 -1.473 -0.614 -4.656
63 HE3 TRP 7 3HE TRP 7 3.838 -0.468 -4.772
64 HZ2 TRP 7 2HZ TRP 7 -0.470 0.314 -7.148
65 HZ3 TRP 7 3HZ TRP 7 3.802 0.379 -7.098
66 HH2 TRP 7 HH TRP 7 1.681 0.765 -8.255
67 HB2 TRP 7 2HB TRP 7 3.339 -1.522 -2.770
68 HB3 TRP 7 1HB TRP 7 2.081 -2.400 -1.909
69 H TRP 8 H TRP 8 2.943 1.587 0.241
70 HA TRP 8 HA TRP 8 3.917 3.189 -2.032
71 HD1 TRP 8 HD TRP 8 3.246 5.427 -3.047
72 HE1 TRP 8 1HE TRP 8 3.976 7.892 -2.944
73 HE3 TRP 8 3HE TRP 8 3.374 6.027 2.028
74 HZ2 TRP 8 2HZ TRP 8 4.532 9.835 -0.975
75 HZ3 TRP 8 3HZ TRP 8 4.014 8.219 2.942
76 HH2 TRP 8 HH TRP 8 4.582 10.083 1.470
77 HB2 TRP 8 2HB TRP 8 1.867 4.000 -0.846
78 HB3 TRP 8 1HB TRP 8 2.829 4.166 0.613
79 H ARG 9 H ARG 9 4.697 1.844 1.018
80 HA ARG 9 HA ARG 9 7.422 2.729 0.824
81 HE ARG 9 HE ARG 9 7.522 4.108 -0.192
82 HB2 ARG 9 2HB ARG 9 5.725 3.523 3.180
83 HB3 ARG 9 1HB ARG 9 7.475 3.602 3.163
84 HG2 ARG 9 2HG ARG 9 5.745 5.096 1.213
85 HG3 ARG 9 1HG ARG 9 6.260 5.760 2.760
86 HD2 ARG 9 2HD ARG 9 7.762 6.555 1.081
87 HD3 ARG 9 1HD ARG 9 8.622 5.380 2.072
88 HH11 ARG 9 1HH1 ARG 9 10.073 6.303 0.717
89 HH12 ARG 9 2HH1 ARG 9 11.088 5.876 -0.620
90 HH21 ARG 9 1HH2 ARG 9 8.852 3.542 -1.950
91 HH22 ARG 9 2HH2 ARG 9 10.394 4.309 -2.136
92 HA PRO 10 HA PRO 10 7.163 -0.706 4.024
93 HB2 PRO 10 2HB PRO 10 4.714 -1.479 4.984
94 HB3 PRO 10 1HB PRO 10 5.694 -0.191 5.686
95 HG2 PRO 10 2HG PRO 10 3.190 0.012 4.256
96 HG3 PRO 10 1HG PRO 10 4.077 1.281 5.112
97 HD2 PRO 10 2HD PRO 10 3.970 0.681 2.252
98 HD3 PRO 10 1HD PRO 10 4.544 2.153 3.053
99 H SER 11 H SER 11 4.086 -1.180 2.269
100 HA SER 11 HA SER 11 4.743 -3.949 1.803
101 HG SER 11 HG SER 11 1.422 -2.842 2.498
102 HB2 SER 11 2HB SER 11 2.457 -2.260 0.753
103 HB3 SER 11 1HB SER 11 2.607 -4.005 0.553
104 H ILE 12 H ILE 12 6.389 -1.642 0.717
105 HA ILE 12 HA ILE 12 7.643 -1.233 -1.135
106 HB ILE 12 HB ILE 12 6.456 -3.824 -2.148
107 HG12 ILE 12 2HG1 ILE 12 8.687 -4.752 -1.561
108 HG13 ILE 12 1HG1 ILE 12 9.124 -3.198 -0.860
109 HG21 ILE 12 1HG2 ILE 12 8.378 -1.911 -3.344
110 HG22 ILE 12 2HG2 ILE 12 7.193 -2.965 -4.117
111 HG23 ILE 12 3HG2 ILE 12 8.717 -3.632 -3.531
112 HD11 ILE 12 3HD1 ILE 12 8.343 -5.076 0.694
113 HD12 ILE 12 1HD1 ILE 12 6.725 -4.698 0.102
114 HD13 ILE 12 2HD1 ILE 12 7.673 -3.462 0.926
Start of MODEL 9
1 HA HIS 1 HA HIS 1 -10.370 -0.666 -4.637
2 HD1 HIS 1 1HD HIS 1 -12.527 2.156 -4.885
3 HD2 HIS 1 2HD HIS 1 -8.948 2.114 -6.997
4 HE1 HIS 1 1HE HIS 1 -13.086 3.036 -7.175
5 HE2 HIS 1 2HE HIS 1 -10.882 3.115 -8.392
6 H1 HIS 1 1HT HIS 1 -12.427 0.238 -4.465
7 H2 HIS 1 2HT HIS 1 -12.047 1.114 -3.039
8 H3 HIS 1 3HT HIS 1 -12.240 -0.590 -2.976
9 HB2 HIS 1 2HB HIS 1 -10.048 2.107 -3.470
10 HB3 HIS 1 1HB HIS 1 -8.840 1.274 -4.445
11 HA PRO 2 HA PRO 2 -8.899 -2.529 -0.846
12 HB2 PRO 2 2HB PRO 2 -6.528 -3.470 -1.879
13 HB3 PRO 2 1HB PRO 2 -8.084 -4.284 -2.081
14 HG2 PRO 2 2HG PRO 2 -6.689 -2.385 -3.944
15 HG3 PRO 2 1HG PRO 2 -7.438 -3.959 -4.309
16 HD2 PRO 2 2HD PRO 2 -8.778 -1.745 -4.838
17 HD3 PRO 2 1HD PRO 2 -9.601 -3.109 -4.055
18 H LEU 3 H LEU 3 -6.301 -2.754 -0.206
19 HA LEU 3 HA LEU 3 -5.607 -0.028 0.508
20 HG LEU 3 HG LEU 3 -5.265 -3.695 1.144
21 HB2 LEU 3 2HB LEU 3 -3.994 -1.115 2.061
22 HB3 LEU 3 1HB LEU 3 -5.667 -1.552 2.334
23 HD11 LEU 3 1HD1 LEU 3 -2.825 -4.353 0.922
24 HD12 LEU 3 2HD1 LEU 3 -2.460 -2.631 1.013
25 HD13 LEU 3 3HD1 LEU 3 -3.464 -3.254 -0.297
26 HD21 LEU 3 3HD2 LEU 3 -5.169 -4.103 3.368
27 HD22 LEU 3 1HD2 LEU 3 -3.918 -2.893 3.651
28 HD23 LEU 3 2HD2 LEU 3 -3.488 -4.464 2.975
29 H LYS 4 H LYS 4 -5.115 -1.094 -2.230
30 HA LYS 4 HA LYS 4 -2.492 -1.742 -2.709
31 HB2 LYS 4 2HB LYS 4 -2.927 -1.173 -4.939
32 HB3 LYS 4 1HB LYS 4 -4.454 -1.671 -4.268
33 HG2 LYS 4 2HG LYS 4 -5.196 0.600 -4.075
34 HG3 LYS 4 1HG LYS 4 -3.615 1.194 -4.588
35 HD2 LYS 4 2HD LYS 4 -5.123 1.312 -6.455
36 HD3 LYS 4 1HD LYS 4 -3.947 0.033 -6.762
37 HE2 LYS 4 2HE LYS 4 -6.140 -0.729 -7.402
38 HE3 LYS 4 1HE LYS 4 -5.604 -1.625 -5.980
39 HZ1 LYS 4 3HZ LYS 4 -7.149 -0.640 -4.659
40 HZ2 LYS 4 1HZ LYS 4 -7.993 -0.579 -6.125
41 HZ3 LYS 4 2HZ LYS 4 -7.190 0.794 -5.553
42 H GLN 5 H GLN 5 -3.912 1.308 -1.945
43 HA GLN 5 HA GLN 5 -1.514 2.779 -2.664
44 HB2 GLN 5 2HB GLN 5 -2.729 4.741 -1.837
45 HB3 GLN 5 1HB GLN 5 -3.643 3.855 -3.048
46 HG2 GLN 5 2HG GLN 5 -4.983 2.825 -1.288
47 HG3 GLN 5 1HG GLN 5 -4.062 3.708 -0.071
48 HE21 GLN 5 1HE2 GLN 5 -5.085 5.396 0.691
49 HE22 GLN 5 2HE2 GLN 5 -6.192 6.417 -0.190
50 H TYR 6 H TYR 6 -2.178 0.760 -0.241
51 HA TYR 6 HA TYR 6 -1.164 2.455 1.898
52 HD1 TYR 6 1HD TYR 6 -3.964 1.330 0.716
53 HD2 TYR 6 2HD TYR 6 -3.006 1.058 4.852
54 HE1 TYR 6 1HE TYR 6 -6.165 2.268 1.281
55 HE2 TYR 6 2HE TYR 6 -5.207 1.993 5.430
56 HH TYR 6 HH TYR 6 -7.706 2.010 3.715
57 HB2 TYR 6 2HB TYR 6 -2.131 -0.392 1.899
58 HB3 TYR 6 1HB TYR 6 -1.438 0.388 3.315
59 H TRP 7 H TRP 7 0.042 0.094 -0.297
60 HA TRP 7 HA TRP 7 2.450 -0.230 1.280
61 HD1 TRP 7 HD TRP 7 -0.637 -1.577 -1.123
62 HE1 TRP 7 1HE TRP 7 -0.976 -1.838 -3.684
63 HE3 TRP 7 3HE TRP 7 4.206 -1.770 -2.508
64 HZ2 TRP 7 2HZ TRP 7 0.660 -2.072 -5.996
65 HZ3 TRP 7 3HZ TRP 7 4.790 -2.005 -4.903
66 HH2 TRP 7 HH TRP 7 3.043 -2.147 -6.610
67 HB2 TRP 7 2HB TRP 7 3.153 -1.858 -0.445
68 HB3 TRP 7 1HB TRP 7 1.643 -2.278 0.355
69 H TRP 8 H TRP 8 2.495 2.202 0.854
70 HA TRP 8 HA TRP 8 3.564 3.025 -1.668
71 HD1 TRP 8 HD TRP 8 3.494 5.276 -2.818
72 HE1 TRP 8 1HE TRP 8 4.865 7.427 -3.174
73 HE3 TRP 8 3HE TRP 8 4.811 6.220 2.035
74 HZ2 TRP 8 2HZ TRP 8 6.309 9.277 -1.608
75 HZ3 TRP 8 3HZ TRP 8 6.187 8.202 2.518
76 HH2 TRP 8 HH TRP 8 6.920 9.697 0.733
77 HB2 TRP 8 2HB TRP 8 2.258 4.517 -0.205
78 HB3 TRP 8 1HB TRP 8 3.542 4.461 0.991
79 H ARG 9 H ARG 9 4.904 2.252 1.515
80 HA ARG 9 HA ARG 9 7.548 2.123 0.249
81 HE ARG 9 HE ARG 9 8.024 5.787 -1.770
82 HB2 ARG 9 2HB ARG 9 6.942 3.546 2.834
83 HB3 ARG 9 1HB ARG 9 8.561 3.201 2.243
84 HG2 ARG 9 2HG ARG 9 6.513 4.891 0.823
85 HG3 ARG 9 1HG ARG 9 7.867 5.503 1.775
86 HD2 ARG 9 2HD ARG 9 9.433 4.409 0.246
87 HD3 ARG 9 1HD ARG 9 8.081 3.786 -0.698
88 HH11 ARG 9 1HH1 ARG 9 9.514 6.293 1.349
89 HH12 ARG 9 2HH1 ARG 9 9.763 7.986 1.092
90 HH21 ARG 9 1HH2 ARG 9 8.354 8.014 -2.105
91 HH22 ARG 9 2HH2 ARG 9 9.104 8.964 -0.865
92 HA PRO 10 HA PRO 10 6.914 -1.061 3.872
93 HB2 PRO 10 2HB PRO 10 5.302 -3.006 2.942
94 HB3 PRO 10 1HB PRO 10 4.661 -1.599 3.803
95 HG2 PRO 10 2HG PRO 10 4.875 -2.051 0.838
96 HG3 PRO 10 1HG PRO 10 3.465 -1.533 1.782
97 HD2 PRO 10 2HD PRO 10 4.979 0.262 0.489
98 HD3 PRO 10 1HD PRO 10 4.308 0.613 2.097
99 H SER 11 H SER 11 7.168 -1.345 0.417
100 HA SER 11 HA SER 11 8.312 -3.883 0.202
101 HG SER 11 HG SER 11 9.041 -4.146 -2.271
102 HB2 SER 11 2HB SER 11 7.516 -2.628 -1.742
103 HB3 SER 11 1HB SER 11 8.792 -1.434 -1.509
104 H ILE 12 H ILE 12 9.576 -1.095 1.676
105 HA ILE 12 HA ILE 12 12.341 -2.016 1.325
106 HB ILE 12 HB ILE 12 11.313 0.582 2.483
107 HG12 ILE 12 2HG1 ILE 12 12.307 1.585 0.437
108 HG13 ILE 12 1HG1 ILE 12 12.662 -0.033 -0.158
109 HG21 ILE 12 1HG2 ILE 12 13.419 -0.111 3.508
110 HG22 ILE 12 2HG2 ILE 12 13.644 1.302 2.476
111 HG23 ILE 12 3HG2 ILE 12 14.141 -0.292 1.909
112 HD11 ILE 12 3HD1 ILE 12 10.482 -0.472 -0.662
113 HD12 ILE 12 1HD1 ILE 12 10.530 1.271 -0.935
114 HD13 ILE 12 2HD1 ILE 12 9.859 0.630 0.565
Start of MODEL 10
1 HA HIS 1 HA HIS 1 -10.908 0.171 -4.196
2 HD1 HIS 1 1HD HIS 1 -10.941 1.159 -6.507
3 HD2 HIS 1 2HD HIS 1 -10.490 4.812 -4.578
4 HE1 HIS 1 1HE HIS 1 -12.058 2.848 -7.997
5 HE2 HIS 1 2HE HIS 1 -11.696 5.063 -6.853
6 H1 HIS 1 1HT HIS 1 -12.315 1.972 -3.612
7 H2 HIS 1 2HT HIS 1 -11.455 2.212 -2.147
8 H3 HIS 1 3HT HIS 1 -12.349 0.767 -2.393
9 HB2 HIS 1 2HB HIS 1 -9.418 2.668 -3.351
10 HB3 HIS 1 1HB HIS 1 -8.861 1.505 -4.548
11 HA PRO 2 HA PRO 2 -9.019 -2.314 -1.074
12 HB2 PRO 2 2HB PRO 2 -6.728 -3.030 -2.486
13 HB3 PRO 2 1HB PRO 2 -8.290 -3.851 -2.587
14 HG2 PRO 2 2HG PRO 2 -7.161 -1.716 -4.361
15 HG3 PRO 2 1HG PRO 2 -8.015 -3.208 -4.812
16 HD2 PRO 2 2HD PRO 2 -9.335 -0.931 -4.847
17 HD3 PRO 2 1HD PRO 2 -10.079 -2.360 -4.092
18 H LEU 3 H LEU 3 -6.547 -2.747 -0.453
19 HA LEU 3 HA LEU 3 -5.621 -0.177 0.536
20 HG LEU 3 HG LEU 3 -5.571 -3.898 0.811
21 HB2 LEU 3 2HB LEU 3 -4.140 -1.522 2.002
22 HB3 LEU 3 1HB LEU 3 -5.848 -1.860 2.207
23 HD11 LEU 3 1HD1 LEU 3 -3.714 -3.506 -0.542
24 HD12 LEU 3 2HD1 LEU 3 -3.145 -4.698 0.627
25 HD13 LEU 3 3HD1 LEU 3 -2.713 -2.999 0.818
26 HD21 LEU 3 3HD2 LEU 3 -3.734 -3.791 3.196
27 HD22 LEU 3 1HD2 LEU 3 -4.519 -5.220 2.528
28 HD23 LEU 3 2HD2 LEU 3 -5.488 -3.952 3.278
29 H LYS 4 H LYS 4 -5.153 -1.230 -2.288
30 HA LYS 4 HA LYS 4 -2.493 -1.902 -2.675
31 HB2 LYS 4 2HB LYS 4 -4.214 -0.206 -4.471
32 HB3 LYS 4 1HB LYS 4 -2.750 -1.048 -4.944
33 HG2 LYS 4 2HG LYS 4 -3.871 -3.187 -4.347
34 HG3 LYS 4 1HG LYS 4 -5.350 -2.272 -4.069
35 HD2 LYS 4 2HD LYS 4 -3.837 -2.454 -6.677
36 HD3 LYS 4 1HD LYS 4 -5.331 -3.302 -6.290
37 HE2 LYS 4 2HE LYS 4 -5.906 -1.416 -7.622
38 HE3 LYS 4 1HE LYS 4 -6.418 -1.071 -5.974
39 HZ1 LYS 4 3HZ LYS 4 -4.915 0.554 -7.539
40 HZ2 LYS 4 1HZ LYS 4 -3.755 -0.160 -6.535
41 HZ3 LYS 4 2HZ LYS 4 -5.063 0.676 -5.859
42 H GLN 5 H GLN 5 -3.887 1.128 -1.851
43 HA GLN 5 HA GLN 5 -1.498 2.620 -2.558
44 HB2 GLN 5 2HB GLN 5 -2.775 4.552 -1.651
45 HB3 GLN 5 1HB GLN 5 -3.571 3.721 -2.981
46 HG2 GLN 5 2HG GLN 5 -5.020 2.562 -1.410
47 HG3 GLN 5 1HG GLN 5 -4.202 3.352 -0.061
48 HE21 GLN 5 1HE2 GLN 5 -5.310 4.960 0.759
49 HE22 GLN 5 2HE2 GLN 5 -6.364 6.039 -0.114
50 H TYR 6 H TYR 6 -2.065 0.576 -0.167
51 HA TYR 6 HA TYR 6 -1.154 2.266 2.014
52 HD1 TYR 6 1HD TYR 6 -3.920 1.021 0.822
53 HD2 TYR 6 2HD TYR 6 -2.879 0.696 4.932
54 HE1 TYR 6 1HE TYR 6 -6.152 1.846 1.447
55 HE2 TYR 6 2HE TYR 6 -5.109 1.513 5.568
56 HH TYR 6 HH TYR 6 -7.285 2.879 3.290
57 HB2 TYR 6 2HB TYR 6 -1.988 -0.624 1.912
58 HB3 TYR 6 1HB TYR 6 -1.313 0.122 3.358
59 H TRP 7 H TRP 7 0.106 -0.036 -0.215
60 HA TRP 7 HA TRP 7 2.564 -0.261 1.300
61 HD1 TRP 7 HD TRP 7 -0.531 -1.720 -1.033
62 HE1 TRP 7 1HE TRP 7 -0.918 -1.994 -3.583
63 HE3 TRP 7 3HE TRP 7 4.285 -1.726 -2.527
64 HZ2 TRP 7 2HZ TRP 7 0.674 -2.161 -5.932
65 HZ3 TRP 7 3HZ TRP 7 4.821 -1.933 -4.935
66 HH2 TRP 7 HH TRP 7 3.043 -2.141 -6.601
67 HB2 TRP 7 2HB TRP 7 3.277 -1.869 -0.436
68 HB3 TRP 7 1HB TRP 7 1.798 -2.336 0.394
69 H TRP 8 H TRP 8 2.503 2.163 0.869
70 HA TRP 8 HA TRP 8 3.495 3.018 -1.672
71 HD1 TRP 8 HD TRP 8 3.578 5.187 -2.822
72 HE1 TRP 8 1HE TRP 8 4.813 7.423 -3.138
73 HE3 TRP 8 3HE TRP 8 4.366 6.379 2.086
74 HZ2 TRP 8 2HZ TRP 8 5.960 9.432 -1.519
75 HZ3 TRP 8 3HZ TRP 8 5.534 8.478 2.618
76 HH2 TRP 8 HH TRP 8 6.313 9.969 0.851
77 HB2 TRP 8 2HB TRP 8 2.159 4.474 -0.214
78 HB3 TRP 8 1HB TRP 8 3.436 4.443 0.992
79 H ARG 9 H ARG 9 4.921 2.353 1.506
80 HA ARG 9 HA ARG 9 7.539 2.292 0.193
81 HE ARG 9 HE ARG 9 9.860 5.828 2.297
82 HB2 ARG 9 2HB ARG 9 7.126 3.509 2.909
83 HB3 ARG 9 1HB ARG 9 8.578 3.551 1.914
84 HG2 ARG 9 2HG ARG 9 7.151 4.789 0.209
85 HG3 ARG 9 1HG ARG 9 5.995 5.002 1.512
86 HD2 ARG 9 2HD ARG 9 7.461 6.944 1.337
87 HD3 ARG 9 1HD ARG 9 7.682 6.109 2.873
88 HH11 ARG 9 1HH1 ARG 9 8.022 6.199 -0.651
89 HH12 ARG 9 2HH1 ARG 9 9.407 6.044 -1.678
90 HH21 ARG 9 1HH2 ARG 9 11.679 5.632 0.944
91 HH22 ARG 9 2HH2 ARG 9 11.482 5.726 -0.775
92 HA PRO 10 HA PRO 10 7.187 -0.871 3.875
93 HB2 PRO 10 2HB PRO 10 5.511 -2.852 3.142
94 HB3 PRO 10 1HB PRO 10 4.953 -1.438 4.048
95 HG2 PRO 10 2HG PRO 10 4.828 -1.958 1.094
96 HG3 PRO 10 1HG PRO 10 3.546 -1.386 2.180
97 HD2 PRO 10 2HD PRO 10 4.948 0.325 0.643
98 HD3 PRO 10 1HD PRO 10 4.415 0.761 2.280
99 H SER 11 H SER 11 7.167 -1.221 0.417
100 HA SER 11 HA SER 11 8.669 -3.705 0.495
101 HG SER 11 HG SER 11 7.608 -1.846 -2.961
102 HB2 SER 11 2HB SER 11 8.599 -3.558 -1.972
103 HB3 SER 11 1HB SER 11 6.992 -3.417 -1.263
104 H ILE 12 H ILE 12 9.729 -1.062 1.548
105 HA ILE 12 HA ILE 12 11.790 -0.200 -0.202
106 HB ILE 12 HB ILE 12 10.974 1.220 1.615
107 HG12 ILE 12 2HG1 ILE 12 13.894 0.478 1.918
108 HG13 ILE 12 1HG1 ILE 12 13.236 1.600 0.731
109 HG21 ILE 12 1HG2 ILE 12 12.484 -0.224 3.696
110 HG22 ILE 12 2HG2 ILE 12 10.982 -0.976 3.161
111 HG23 ILE 12 3HG2 ILE 12 10.966 0.667 3.805
112 HD11 ILE 12 3HD1 ILE 12 14.320 2.411 2.999
113 HD12 ILE 12 1HD1 ILE 12 12.677 2.146 3.585
114 HD13 ILE 12 2HD1 ILE 12 12.966 3.261 2.248
Start of MODEL 11
1 HA HIS 1 HA HIS 1 -10.743 -0.690 -3.958
2 HD1 HIS 1 1HD HIS 1 -10.679 -0.130 -6.412
3 HD2 HIS 1 2HD HIS 1 -10.290 3.808 -5.144
4 HE1 HIS 1 1HE HIS 1 -11.741 1.266 -8.215
5 HE2 HIS 1 2HE HIS 1 -11.428 3.649 -7.461
6 H1 HIS 1 1HT HIS 1 -11.349 1.793 -2.523
7 H2 HIS 1 2HT HIS 1 -12.110 0.302 -2.145
8 H3 HIS 1 3HT HIS 1 -12.273 0.979 -3.715
9 HB2 HIS 1 2HB HIS 1 -9.272 1.921 -3.520
10 HB3 HIS 1 1HB HIS 1 -8.676 0.564 -4.471
11 HA PRO 2 HA PRO 2 -8.890 -2.534 -0.393
12 HB2 PRO 2 2HB PRO 2 -6.648 -3.619 -1.597
13 HB3 PRO 2 1HB PRO 2 -8.255 -4.351 -1.634
14 HG2 PRO 2 2HG PRO 2 -6.934 -2.584 -3.672
15 HG3 PRO 2 1HG PRO 2 -7.818 -4.109 -3.920
16 HD2 PRO 2 2HD PRO 2 -9.051 -1.824 -4.389
17 HD3 PRO 2 1HD PRO 2 -9.885 -3.103 -3.480
18 H LEU 3 H LEU 3 -6.259 -2.936 0.075
19 HA LEU 3 HA LEU 3 -5.354 -0.247 0.689
20 HG LEU 3 HG LEU 3 -5.309 -3.876 1.508
21 HB2 LEU 3 2HB LEU 3 -3.642 -1.425 2.099
22 HB3 LEU 3 1HB LEU 3 -5.315 -1.643 2.580
23 HD11 LEU 3 1HD1 LEU 3 -3.680 -3.681 -0.187
24 HD12 LEU 3 2HD1 LEU 3 -3.040 -4.839 0.978
25 HD13 LEU 3 3HD1 LEU 3 -2.437 -3.182 0.961
26 HD21 LEU 3 3HD2 LEU 3 -3.539 -3.119 3.754
27 HD22 LEU 3 1HD2 LEU 3 -3.385 -4.759 3.128
28 HD23 LEU 3 2HD2 LEU 3 -4.944 -4.185 3.722
29 H LYS 4 H LYS 4 -5.157 -1.152 -2.031
30 HA LYS 4 HA LYS 4 -2.480 -1.897 -2.631
31 HB2 LYS 4 2HB LYS 4 -4.283 -2.388 -4.178
32 HB3 LYS 4 1HB LYS 4 -4.643 -0.674 -4.341
33 HG2 LYS 4 2HG LYS 4 -2.481 -0.306 -5.390
34 HG3 LYS 4 1HG LYS 4 -2.092 -2.018 -5.211
35 HD2 LYS 4 2HD LYS 4 -4.377 -0.882 -6.823
36 HD3 LYS 4 1HD LYS 4 -2.862 -1.503 -7.479
37 HE2 LYS 4 2HE LYS 4 -4.904 -3.082 -5.917
38 HE3 LYS 4 1HE LYS 4 -4.648 -3.156 -7.659
39 HZ1 LYS 4 3HZ LYS 4 -2.410 -3.978 -7.256
40 HZ2 LYS 4 1HZ LYS 4 -3.558 -4.988 -6.532
41 HZ3 LYS 4 2HZ LYS 4 -2.661 -3.911 -5.585
42 H GLN 5 H GLN 5 -4.002 1.084 -1.896
43 HA GLN 5 HA GLN 5 -1.915 2.670 -3.148
44 HB2 GLN 5 2HB GLN 5 -3.207 4.609 -2.291
45 HB3 GLN 5 1HB GLN 5 -4.134 3.543 -3.336
46 HG2 GLN 5 2HG GLN 5 -5.177 2.521 -1.390
47 HG3 GLN 5 1HG GLN 5 -4.233 3.567 -0.329
48 HE21 GLN 5 1HE2 GLN 5 -7.180 3.155 -1.642
49 HE22 GLN 5 2HE2 GLN 5 -7.747 4.804 -1.644
50 H TYR 6 H TYR 6 -2.172 1.036 -0.299
51 HA TYR 6 HA TYR 6 -0.839 3.036 1.335
52 HD1 TYR 6 1HD TYR 6 -2.052 3.260 4.019
53 HD2 TYR 6 2HD TYR 6 -4.071 0.805 1.207
54 HE1 TYR 6 1HE TYR 6 -4.167 4.389 4.568
55 HE2 TYR 6 2HE TYR 6 -6.204 1.904 1.760
56 HH TYR 6 HH TYR 6 -6.606 3.879 4.460
57 HB2 TYR 6 2HB TYR 6 -1.842 0.257 1.913
58 HB3 TYR 6 1HB TYR 6 -0.995 1.250 3.098
59 H TRP 7 H TRP 7 0.083 0.487 -0.728
60 HA TRP 7 HA TRP 7 2.467 -0.299 0.557
61 HD1 TRP 7 HD TRP 7 -0.843 -0.952 -1.692
62 HE1 TRP 7 1HE TRP 7 -1.949 -3.181 -1.032
63 HE3 TRP 7 3HE TRP 7 3.309 -3.464 -0.353
64 HZ2 TRP 7 2HZ TRP 7 -1.123 -5.708 -0.024
65 HZ3 TRP 7 3HZ TRP 7 3.120 -5.792 0.469
66 HH2 TRP 7 HH TRP 7 0.938 -6.885 0.632
67 HB2 TRP 7 2HB TRP 7 1.807 -0.468 -2.384
68 HB3 TRP 7 1HB TRP 7 2.986 -1.437 -1.508
69 H TRP 8 H TRP 8 2.635 2.238 0.852
70 HA TRP 8 HA TRP 8 4.138 3.487 -1.285
71 HD1 TRP 8 HD TRP 8 4.211 5.890 -2.083
72 HE1 TRP 8 1HE TRP 8 5.553 8.067 -1.801
73 HE3 TRP 8 3HE TRP 8 4.407 6.068 3.022
74 HZ2 TRP 8 2HZ TRP 8 6.559 9.654 0.308
75 HZ3 TRP 8 3HZ TRP 8 5.577 7.948 4.093
76 HH2 TRP 8 HH TRP 8 6.630 9.704 2.762
77 HB2 TRP 8 2HB TRP 8 2.465 4.730 0.040
78 HB3 TRP 8 1HB TRP 8 3.450 4.502 1.475
79 H ARG 9 H ARG 9 4.671 2.033 1.864
80 HA ARG 9 HA ARG 9 7.559 2.299 1.396
81 HE ARG 9 HE ARG 9 7.609 6.754 2.258
82 HB2 ARG 9 2HB ARG 9 6.137 2.743 4.014
83 HB3 ARG 9 1HB ARG 9 7.882 2.634 3.834
84 HG2 ARG 9 2HG ARG 9 6.108 4.704 2.555
85 HG3 ARG 9 1HG ARG 9 7.137 4.949 3.969
86 HD2 ARG 9 2HD ARG 9 9.110 4.424 2.606
87 HD3 ARG 9 1HD ARG 9 8.073 4.206 1.198
88 HH11 ARG 9 1HH1 ARG 9 10.136 4.971 0.644
89 HH12 ARG 9 2HH1 ARG 9 10.835 6.377 -0.086
90 HH21 ARG 9 1HH2 ARG 9 8.529 8.607 1.299
91 HH22 ARG 9 2HH2 ARG 9 9.922 8.441 0.286
92 HA PRO 10 HA PRO 10 6.249 -1.930 3.395
93 HB2 PRO 10 2HB PRO 10 5.190 -3.421 1.417
94 HB3 PRO 10 1HB PRO 10 4.185 -2.399 2.455
95 HG2 PRO 10 2HG PRO 10 5.296 -1.793 -0.271
96 HG3 PRO 10 1HG PRO 10 3.630 -1.624 0.311
97 HD2 PRO 10 2HD PRO 10 5.266 0.496 0.216
98 HD3 PRO 10 1HD PRO 10 4.124 0.277 1.559
99 H SER 11 H SER 11 7.429 -1.073 0.220
100 HA SER 11 HA SER 11 9.123 -3.411 0.019
101 HG SER 11 HG SER 11 7.301 -1.910 -2.527
102 HB2 SER 11 2HB SER 11 8.960 -0.936 -1.716
103 HB3 SER 11 1HB SER 11 9.902 -2.380 -2.088
104 H ILE 12 H ILE 12 9.439 -1.335 2.222
105 HA ILE 12 HA ILE 12 11.137 -0.387 3.402
106 HB ILE 12 HB ILE 12 12.893 -2.039 1.576
107 HG12 ILE 12 2HG1 ILE 12 11.277 -3.407 2.806
108 HG13 ILE 12 1HG1 ILE 12 12.904 -3.662 3.428
109 HG21 ILE 12 1HG2 ILE 12 14.383 -0.567 2.535
110 HG22 ILE 12 2HG2 ILE 12 14.385 -1.879 3.714
111 HG23 ILE 12 3HG2 ILE 12 13.445 -0.417 4.021
112 HD11 ILE 12 3HD1 ILE 12 11.234 -3.522 5.205
113 HD12 ILE 12 1HD1 ILE 12 10.824 -1.889 4.684
114 HD13 ILE 12 2HD1 ILE 12 12.432 -2.234 5.321
Start of MODEL 12
1 HA HIS 1 HA HIS 1 -9.784 -0.105 -4.705
2 HD1 HIS 1 1HD HIS 1 -10.425 1.972 -5.983
3 HD2 HIS 1 2HD HIS 1 -14.010 1.723 -3.895
4 HE1 HIS 1 1HE HIS 1 -12.157 2.981 -7.499
5 HE2 HIS 1 2HE HIS 1 -14.333 2.744 -6.249
6 H1 HIS 1 1HT HIS 1 -12.124 -1.468 -3.549
7 H2 HIS 1 2HT HIS 1 -11.000 -2.140 -4.659
8 H3 HIS 1 3HT HIS 1 -12.003 -0.832 -5.136
9 HB2 HIS 1 2HB HIS 1 -11.827 0.765 -2.646
10 HB3 HIS 1 1HB HIS 1 -10.405 1.688 -3.123
11 HA PRO 2 HA PRO 2 -8.570 -3.080 -1.260
12 HB2 PRO 2 2HB PRO 2 -6.096 -3.523 -2.399
13 HB3 PRO 2 1HB PRO 2 -7.526 -4.513 -2.711
14 HG2 PRO 2 2HG PRO 2 -6.442 -2.202 -4.295
15 HG3 PRO 2 1HG PRO 2 -6.980 -3.799 -4.873
16 HD2 PRO 2 2HD PRO 2 -8.620 -1.747 -5.098
17 HD3 PRO 2 1HD PRO 2 -9.235 -3.298 -4.486
18 H LEU 3 H LEU 3 -5.974 -3.070 -0.604
19 HA LEU 3 HA LEU 3 -5.617 -0.407 0.495
20 HG LEU 3 HG LEU 3 -4.842 -4.067 0.649
21 HB2 LEU 3 2HB LEU 3 -3.904 -1.498 1.929
22 HB3 LEU 3 1HB LEU 3 -5.511 -2.167 2.097
23 HD11 LEU 3 1HD1 LEU 3 -3.107 -3.231 -0.690
24 HD12 LEU 3 2HD1 LEU 3 -2.336 -4.388 0.394
25 HD13 LEU 3 3HD1 LEU 3 -2.191 -2.659 0.706
26 HD21 LEU 3 3HD2 LEU 3 -2.985 -4.849 2.395
27 HD22 LEU 3 1HD2 LEU 3 -4.698 -4.755 2.802
28 HD23 LEU 3 2HD2 LEU 3 -3.608 -3.449 3.265
29 H LYS 4 H LYS 4 -5.024 -0.993 -2.338
30 HA LYS 4 HA LYS 4 -2.358 -1.274 -2.929
31 HB2 LYS 4 2HB LYS 4 -2.907 -0.377 -5.030
32 HB3 LYS 4 1HB LYS 4 -4.357 -1.147 -4.441
33 HG2 LYS 4 2HG LYS 4 -5.295 0.984 -3.802
34 HG3 LYS 4 1HG LYS 4 -3.816 1.804 -4.304
35 HD2 LYS 4 2HD LYS 4 -5.454 2.057 -6.039
36 HD3 LYS 4 1HD LYS 4 -4.201 0.955 -6.612
37 HE2 LYS 4 2HE LYS 4 -6.378 0.105 -7.224
38 HE3 LYS 4 1HE LYS 4 -5.646 -0.950 -6.014
39 HZ1 LYS 4 3HZ LYS 4 -8.131 -0.030 -5.847
40 HZ2 LYS 4 1HZ LYS 4 -7.328 1.186 -4.989
41 HZ3 LYS 4 2HZ LYS 4 -7.201 -0.425 -4.491
42 H GLN 5 H GLN 5 -4.106 1.464 -1.746
43 HA GLN 5 HA GLN 5 -1.899 3.293 -2.177
44 HB2 GLN 5 2HB GLN 5 -4.184 4.122 -2.393
45 HB3 GLN 5 1HB GLN 5 -4.526 3.664 -0.730
46 HG2 GLN 5 2HG GLN 5 -2.905 5.278 0.069
47 HG3 GLN 5 1HG GLN 5 -2.499 5.715 -1.589
48 HE21 GLN 5 1HE2 GLN 5 -3.387 7.526 -2.235
49 HE22 GLN 5 2HE2 GLN 5 -4.928 8.159 -1.723
50 H TYR 6 H TYR 6 -2.412 0.875 -0.042
51 HA TYR 6 HA TYR 6 -1.450 2.316 2.308
52 HD1 TYR 6 1HD TYR 6 -4.196 1.091 0.911
53 HD2 TYR 6 2HD TYR 6 -3.238 0.481 5.011
54 HE1 TYR 6 1HE TYR 6 -6.472 1.776 1.540
55 HE2 TYR 6 2HE TYR 6 -5.513 1.162 5.651
56 HH TYR 6 HH TYR 6 -7.719 1.330 4.700
57 HB2 TYR 6 2HB TYR 6 -2.229 -0.570 1.922
58 HB3 TYR 6 1HB TYR 6 -1.618 0.082 3.437
59 H TRP 7 H TRP 7 -0.132 0.484 -0.269
60 HA TRP 7 HA TRP 7 2.102 -0.616 0.952
61 HD1 TRP 7 HD TRP 7 -0.873 -0.744 -1.567
62 HE1 TRP 7 1HE TRP 7 -1.583 -3.195 -1.928
63 HE3 TRP 7 3HE TRP 7 3.654 -2.880 -1.155
64 HZ2 TRP 7 2HZ TRP 7 -0.325 -5.745 -2.006
65 HZ3 TRP 7 3HZ TRP 7 3.881 -5.340 -1.369
66 HH2 TRP 7 HH TRP 7 1.917 -6.740 -1.782
67 HB2 TRP 7 2HB TRP 7 1.724 0.369 -1.877
68 HB3 TRP 7 1HB TRP 7 3.019 -0.696 -1.336
69 H TRP 8 H TRP 8 2.782 1.818 -1.459
70 HA TRP 8 HA TRP 8 3.871 3.820 -1.381
71 HD1 TRP 8 HD TRP 8 4.187 6.332 -0.959
72 HE1 TRP 8 1HE TRP 8 5.950 8.012 -0.124
73 HE3 TRP 8 3HE TRP 8 5.624 3.941 3.323
74 HZ2 TRP 8 2HZ TRP 8 7.717 8.285 2.063
75 HZ3 TRP 8 3HZ TRP 8 7.356 4.975 4.729
76 HH2 TRP 8 HH TRP 8 8.380 7.102 4.111
77 HB2 TRP 8 2HB TRP 8 2.812 4.354 0.776
78 HB3 TRP 8 1HB TRP 8 4.040 3.410 1.612
79 H ARG 9 H ARG 9 5.061 1.011 0.314
80 HA ARG 9 HA ARG 9 7.198 0.330 -0.943
81 HE ARG 9 HE ARG 9 11.113 3.654 -0.099
82 HB2 ARG 9 2HB ARG 9 9.206 1.512 -0.076
83 HB3 ARG 9 1HB ARG 9 8.192 2.492 -1.120
84 HG2 ARG 9 2HG ARG 9 7.203 3.526 0.912
85 HG3 ARG 9 1HG ARG 9 8.365 2.610 1.877
86 HD2 ARG 9 2HD ARG 9 9.059 4.609 -0.270
87 HD3 ARG 9 1HD ARG 9 9.127 4.904 1.467
88 HH11 ARG 9 1HH1 ARG 9 9.576 3.442 3.030
89 HH12 ARG 9 2HH1 ARG 9 10.918 2.641 3.772
90 HH21 ARG 9 1HH2 ARG 9 12.880 2.607 0.881
91 HH22 ARG 9 2HH2 ARG 9 12.795 2.171 2.555
92 HA PRO 10 HA PRO 10 8.105 -0.610 3.754
93 HB2 PRO 10 2HB PRO 10 5.960 -0.240 5.383
94 HB3 PRO 10 1HB PRO 10 7.208 0.989 5.145
95 HG2 PRO 10 2HG PRO 10 4.533 0.733 3.809
96 HG3 PRO 10 1HG PRO 10 5.284 2.173 4.530
97 HD2 PRO 10 2HD PRO 10 5.346 1.774 1.892
98 HD3 PRO 10 1HD PRO 10 6.735 2.457 2.744
99 H SER 11 H SER 11 5.193 -1.090 1.955
100 HA SER 11 HA SER 11 4.485 -3.557 3.280
101 HG SER 11 HG SER 11 1.584 -3.785 1.665
102 HB2 SER 11 2HB SER 11 2.719 -2.131 2.365
103 HB3 SER 11 1HB SER 11 3.406 -2.291 0.750
104 H ILE 12 H ILE 12 7.034 -2.926 1.465
105 HA ILE 12 HA ILE 12 6.813 -5.120 -0.431
106 HB ILE 12 HB ILE 12 9.138 -3.276 0.145
107 HG12 ILE 12 2HG1 ILE 12 7.097 -3.252 -2.091
108 HG13 ILE 12 1HG1 ILE 12 7.182 -2.099 -0.763
109 HG21 ILE 12 1HG2 ILE 12 9.239 -4.401 -2.459
110 HG22 ILE 12 2HG2 ILE 12 9.019 -5.717 -1.307
111 HG23 ILE 12 3HG2 ILE 12 10.376 -4.606 -1.127
112 HD11 ILE 12 3HD1 ILE 12 9.701 -2.253 -2.138
113 HD12 ILE 12 1HD1 ILE 12 8.653 -0.862 -1.855
114 HD13 ILE 12 2HD1 ILE 12 8.386 -1.897 -3.259
Start of MODEL 13
1 HA HIS 1 HA HIS 1 -10.821 1.556 -1.411
2 HD1 HIS 1 1HD HIS 1 -13.480 1.893 0.870
3 HD2 HIS 1 2HD HIS 1 -11.029 5.180 0.195
4 HE1 HIS 1 1HE HIS 1 -15.032 3.861 0.685
5 HE2 HIS 1 2HE HIS 1 -13.535 5.825 0.187
6 H1 HIS 1 1HT HIS 1 -12.809 0.849 -0.690
7 H2 HIS 1 2HT HIS 1 -12.207 0.309 0.825
8 H3 HIS 1 3HT HIS 1 -11.898 -0.601 -0.597
9 HB2 HIS 1 2HB HIS 1 -10.689 1.806 1.604
10 HB3 HIS 1 1HB HIS 1 -9.796 2.803 0.460
11 HA PRO 2 HA PRO 2 -8.405 -2.447 -1.062
12 HB2 PRO 2 2HB PRO 2 -6.874 -1.151 -3.154
13 HB3 PRO 2 1HB PRO 2 -7.830 -2.630 -3.230
14 HG2 PRO 2 2HG PRO 2 -8.558 0.100 -4.009
15 HG3 PRO 2 1HG PRO 2 -9.304 -1.441 -4.462
16 HD2 PRO 2 2HD PRO 2 -10.541 0.306 -2.826
17 HD3 PRO 2 1HD PRO 2 -10.700 -1.452 -2.620
18 H LEU 3 H LEU 3 -6.239 -2.836 -0.689
19 HA LEU 3 HA LEU 3 -4.971 -0.767 0.903
20 HG LEU 3 HG LEU 3 -3.650 -4.010 -0.401
21 HB2 LEU 3 2HB LEU 3 -3.450 -2.527 1.689
22 HB3 LEU 3 1HB LEU 3 -5.137 -2.910 1.971
23 HD11 LEU 3 1HD1 LEU 3 -3.486 -6.099 1.072
24 HD12 LEU 3 2HD1 LEU 3 -3.722 -5.002 2.433
25 HD13 LEU 3 3HD1 LEU 3 -2.331 -4.801 1.369
26 HD21 LEU 3 3HD2 LEU 3 -6.314 -4.275 0.724
27 HD22 LEU 3 1HD2 LEU 3 -5.514 -5.832 0.518
28 HD23 LEU 3 2HD2 LEU 3 -5.703 -4.753 -0.861
29 H LYS 4 H LYS 4 -4.795 -1.769 -2.261
30 HA LYS 4 HA LYS 4 -2.128 -1.964 -2.891
31 HB2 LYS 4 2HB LYS 4 -4.226 -0.498 -4.484
32 HB3 LYS 4 1HB LYS 4 -2.696 -1.101 -5.099
33 HG2 LYS 4 2HG LYS 4 -3.431 -3.400 -4.521
34 HG3 LYS 4 1HG LYS 4 -5.000 -2.731 -4.063
35 HD2 LYS 4 2HD LYS 4 -3.725 -2.566 -6.796
36 HD3 LYS 4 1HD LYS 4 -5.057 -3.627 -6.334
37 HE2 LYS 4 2HE LYS 4 -5.109 -0.611 -6.306
38 HE3 LYS 4 1HE LYS 4 -5.850 -1.641 -7.530
39 HZ1 LYS 4 3HZ LYS 4 -7.644 -1.810 -6.270
40 HZ2 LYS 4 1HZ LYS 4 -6.952 -0.777 -5.123
41 HZ3 LYS 4 2HZ LYS 4 -6.742 -2.451 -4.991
42 H GLN 5 H GLN 5 -3.975 0.878 -2.152
43 HA GLN 5 HA GLN 5 -1.920 2.726 -2.921
44 HB2 GLN 5 2HB GLN 5 -3.386 4.405 -1.825
45 HB3 GLN 5 1HB GLN 5 -4.198 3.446 -3.054
46 HG2 GLN 5 2HG GLN 5 -5.212 2.065 -1.325
47 HG3 GLN 5 1HG GLN 5 -4.376 2.998 -0.083
48 HE21 GLN 5 1HE2 GLN 5 -7.249 2.584 -1.542
49 HE22 GLN 5 2HE2 GLN 5 -7.939 4.169 -1.316
50 H TYR 6 H TYR 6 -2.141 0.648 -0.361
51 HA TYR 6 HA TYR 6 -0.989 2.467 1.600
52 HD1 TYR 6 1HD TYR 6 -3.842 0.975 0.702
53 HD2 TYR 6 2HD TYR 6 -2.466 1.131 4.723
54 HE1 TYR 6 1HE TYR 6 -6.061 1.751 1.425
55 HE2 TYR 6 2HE TYR 6 -4.681 1.901 5.459
56 HH TYR 6 HH TYR 6 -6.730 3.256 4.018
57 HB2 TYR 6 2HB TYR 6 -1.748 -0.450 1.771
58 HB3 TYR 6 1HB TYR 6 -1.005 0.447 3.092
59 H TRP 7 H TRP 7 0.039 0.170 -0.719
60 HA TRP 7 HA TRP 7 2.534 -0.475 0.449
61 HD1 TRP 7 HD TRP 7 -0.864 -1.376 -1.554
62 HE1 TRP 7 1HE TRP 7 -1.733 -3.679 -0.784
63 HE3 TRP 7 3HE TRP 7 3.569 -3.533 -0.536
64 HZ2 TRP 7 2HZ TRP 7 -0.626 -6.120 0.161
65 HZ3 TRP 7 3HZ TRP 7 3.635 -5.859 0.311
66 HH2 TRP 7 HH TRP 7 1.568 -7.120 0.656
67 HB2 TRP 7 2HB TRP 7 1.685 -0.680 -2.443
68 HB3 TRP 7 1HB TRP 7 3.002 -1.555 -1.669
69 H TRP 8 H TRP 8 2.528 2.052 0.782
70 HA TRP 8 HA TRP 8 3.897 3.400 -1.407
71 HD1 TRP 8 HD TRP 8 3.787 5.797 -2.263
72 HE1 TRP 8 1HE TRP 8 4.943 8.081 -1.996
73 HE3 TRP 8 3HE TRP 8 3.855 6.086 2.843
74 HZ2 TRP 8 2HZ TRP 8 5.774 9.780 0.098
75 HZ3 TRP 8 3HZ TRP 8 4.848 8.075 3.898
76 HH2 TRP 8 HH TRP 8 5.788 9.882 2.553
77 HB2 TRP 8 2HB TRP 8 2.097 4.532 -0.158
78 HB3 TRP 8 1HB TRP 8 3.054 4.422 1.309
79 H ARG 9 H ARG 9 4.454 2.090 1.788
80 HA ARG 9 HA ARG 9 7.332 2.543 1.397
81 HE ARG 9 HE ARG 9 9.052 4.408 3.574
82 HB2 ARG 9 2HB ARG 9 5.804 2.976 3.957
83 HB3 ARG 9 1HB ARG 9 7.557 2.987 3.825
84 HG2 ARG 9 2HG ARG 9 5.673 4.885 2.445
85 HG3 ARG 9 1HG ARG 9 6.657 5.246 3.866
86 HD2 ARG 9 2HD ARG 9 7.687 4.490 1.132
87 HD3 ARG 9 1HD ARG 9 7.689 6.110 1.826
88 HH11 ARG 9 1HH1 ARG 9 9.413 5.746 0.372
89 HH12 ARG 9 2HH1 ARG 9 11.143 5.714 0.417
90 HH21 ARG 9 1HH2 ARG 9 11.330 4.365 3.637
91 HH22 ARG 9 2HH2 ARG 9 12.233 4.929 2.269
92 HA PRO 10 HA PRO 10 6.139 -1.699 3.428
93 HB2 PRO 10 2HB PRO 10 5.394 -3.287 1.388
94 HB3 PRO 10 1HB PRO 10 4.221 -2.302 2.278
95 HG2 PRO 10 2HG PRO 10 5.615 -1.671 -0.313
96 HG3 PRO 10 1HG PRO 10 3.880 -1.615 0.050
97 HD2 PRO 10 2HD PRO 10 5.345 0.619 0.118
98 HD3 PRO 10 1HD PRO 10 4.087 0.321 1.338
99 H SER 11 H SER 11 7.562 -0.869 0.345
100 HA SER 11 HA SER 11 9.267 -3.042 -0.015
101 HG SER 11 HG SER 11 7.821 -1.332 -1.597
102 HB2 SER 11 2HB SER 11 9.738 -0.143 -0.750
103 HB3 SER 11 1HB SER 11 10.634 -1.517 -1.397
104 H ILE 12 H ILE 12 9.310 -0.694 2.452
105 HA ILE 12 HA ILE 12 12.048 -0.414 2.961
106 HB ILE 12 HB ILE 12 10.309 0.955 4.047
107 HG12 ILE 12 2HG1 ILE 12 12.578 0.782 5.047
108 HG13 ILE 12 1HG1 ILE 12 11.329 1.111 6.240
109 HG21 ILE 12 1HG2 ILE 12 8.682 0.160 5.378
110 HG22 ILE 12 2HG2 ILE 12 9.731 -1.042 6.127
111 HG23 ILE 12 3HG2 ILE 12 9.016 -1.359 4.547
112 HD11 ILE 12 3HD1 ILE 12 13.051 -1.259 5.893
113 HD12 ILE 12 1HD1 ILE 12 11.397 -1.546 6.433
114 HD13 ILE 12 2HD1 ILE 12 12.457 -0.485 7.363
Start of MODEL 14
1 HA HIS 1 HA HIS 1 -10.913 2.177 -1.356
2 HD1 HIS 1 1HD HIS 1 -13.103 1.647 -0.170
3 HD2 HIS 1 2HD HIS 1 -12.872 -2.045 -2.062
4 HE1 HIS 1 1HE HIS 1 -14.316 0.044 1.339
5 HE2 HIS 1 2HE HIS 1 -14.088 -2.202 0.216
6 H1 HIS 1 1HT HIS 1 -10.492 1.814 -4.094
7 H2 HIS 1 2HT HIS 1 -8.997 1.714 -3.256
8 H3 HIS 1 3HT HIS 1 -10.000 3.092 -3.064
9 HB2 HIS 1 2HB HIS 1 -12.597 1.509 -2.991
10 HB3 HIS 1 1HB HIS 1 -11.716 0.027 -3.333
11 HA PRO 2 HA PRO 2 -8.954 -2.339 -0.922
12 HB2 PRO 2 2HB PRO 2 -6.890 -2.658 -2.764
13 HB3 PRO 2 1HB PRO 2 -8.489 -3.403 -2.881
14 HG2 PRO 2 2HG PRO 2 -7.480 -0.876 -4.141
15 HG3 PRO 2 1HG PRO 2 -8.461 -2.173 -4.859
16 HD2 PRO 2 2HD PRO 2 -9.645 0.050 -4.101
17 HD3 PRO 2 1HD PRO 2 -10.376 -1.515 -3.688
18 H LEU 3 H LEU 3 -6.378 -2.930 -0.888
19 HA LEU 3 HA LEU 3 -5.259 -0.789 0.729
20 HG LEU 3 HG LEU 3 -5.222 -4.400 -0.239
21 HB2 LEU 3 2HB LEU 3 -3.584 -2.480 1.419
22 HB3 LEU 3 1HB LEU 3 -5.241 -2.934 1.768
23 HD11 LEU 3 1HD1 LEU 3 -2.846 -4.984 -1.042
24 HD12 LEU 3 2HD1 LEU 3 -2.411 -3.394 -0.418
25 HD13 LEU 3 3HD1 LEU 3 -3.627 -3.539 -1.687
26 HD21 LEU 3 3HD2 LEU 3 -2.887 -5.326 1.305
27 HD22 LEU 3 1HD2 LEU 3 -4.414 -6.136 0.954
28 HD23 LEU 3 2HD2 LEU 3 -4.332 -4.928 2.237
29 H LYS 4 H LYS 4 -5.266 -0.863 -2.323
30 HA LYS 4 HA LYS 4 -2.712 -1.254 -3.322
31 HB2 LYS 4 2HB LYS 4 -4.715 0.837 -4.168
32 HB3 LYS 4 1HB LYS 4 -3.339 0.286 -5.110
33 HG2 LYS 4 2HG LYS 4 -5.643 -1.431 -4.239
34 HG3 LYS 4 1HG LYS 4 -5.439 -0.726 -5.847
35 HD2 LYS 4 2HD LYS 4 -3.315 -1.965 -6.082
36 HD3 LYS 4 1HD LYS 4 -3.600 -2.711 -4.507
37 HE2 LYS 4 2HE LYS 4 -5.374 -2.954 -6.929
38 HE3 LYS 4 1HE LYS 4 -4.261 -4.188 -6.339
39 HZ1 LYS 4 3HZ LYS 4 -6.868 -3.404 -5.326
40 HZ2 LYS 4 1HZ LYS 4 -5.697 -3.736 -4.150
41 HZ3 LYS 4 2HZ LYS 4 -6.104 -4.912 -5.295
42 H GLN 5 H GLN 5 -3.925 1.259 -1.327
43 HA GLN 5 HA GLN 5 -1.681 3.021 -1.874
44 HB2 GLN 5 2HB GLN 5 -2.774 4.479 -0.182
45 HB3 GLN 5 1HB GLN 5 -3.788 4.097 -1.567
46 HG2 GLN 5 2HG GLN 5 -4.965 2.419 -0.266
47 HG3 GLN 5 1HG GLN 5 -3.924 2.747 1.119
48 HE21 GLN 5 1HE2 GLN 5 -4.857 3.937 2.604
49 HE22 GLN 5 2HE2 GLN 5 -6.032 5.194 2.329
50 H TYR 6 H TYR 6 -1.855 0.277 -0.247
51 HA TYR 6 HA TYR 6 -0.584 1.188 2.200
52 HD1 TYR 6 1HD TYR 6 -3.517 0.291 1.153
53 HD2 TYR 6 2HD TYR 6 -1.773 -1.378 4.653
54 HE1 TYR 6 1HE TYR 6 -5.593 0.738 2.394
55 HE2 TYR 6 2HE TYR 6 -3.845 -0.942 5.903
56 HH TYR 6 HH TYR 6 -6.367 1.018 4.650
57 HB2 TYR 6 2HB TYR 6 -1.446 -1.537 1.261
58 HB3 TYR 6 1HB TYR 6 -0.517 -1.295 2.737
59 H TRP 7 H TRP 7 0.273 -0.184 -0.843
60 HA TRP 7 HA TRP 7 2.956 -0.773 0.087
61 HD1 TRP 7 HD TRP 7 -0.500 -1.511 -2.073
62 HE1 TRP 7 1HE TRP 7 -1.320 -0.921 -4.461
63 HE3 TRP 7 3HE TRP 7 3.989 -0.751 -4.238
64 HZ2 TRP 7 2HZ TRP 7 -0.154 -0.197 -6.950
65 HZ3 TRP 7 3HZ TRP 7 4.105 -0.101 -6.625
66 HH2 TRP 7 HH TRP 7 2.064 0.174 -7.947
67 HB2 TRP 7 2HB TRP 7 3.357 -1.639 -2.193
68 HB3 TRP 7 1HB TRP 7 2.043 -2.447 -1.345
69 H TRP 8 H TRP 8 2.772 1.707 0.508
70 HA TRP 8 HA TRP 8 3.608 3.244 -1.830
71 HD1 TRP 8 HD TRP 8 2.995 5.608 -2.603
72 HE1 TRP 8 1HE TRP 8 3.927 8.005 -2.505
73 HE3 TRP 8 3HE TRP 8 4.028 5.874 2.396
74 HZ2 TRP 8 2HZ TRP 8 4.963 9.775 -0.565
75 HZ3 TRP 8 3HZ TRP 8 4.989 7.953 3.294
76 HH2 TRP 8 HH TRP 8 5.446 9.862 1.842
77 HB2 TRP 8 2HB TRP 8 1.896 4.147 -0.272
78 HB3 TRP 8 1HB TRP 8 3.100 4.152 1.007
79 H ARG 9 H ARG 9 4.863 1.861 1.086
80 HA ARG 9 HA ARG 9 7.552 2.432 0.268
81 HE ARG 9 HE ARG 9 9.630 4.821 1.731
82 HB2 ARG 9 2HB ARG 9 6.508 3.567 2.854
83 HB3 ARG 9 1HB ARG 9 8.210 3.460 2.436
84 HG2 ARG 9 2HG ARG 9 6.141 5.016 0.899
85 HG3 ARG 9 1HG ARG 9 7.281 5.695 2.060
86 HD2 ARG 9 2HD ARG 9 8.020 4.241 -0.477
87 HD3 ARG 9 1HD ARG 9 8.042 5.990 -0.254
88 HH11 ARG 9 1HH1 ARG 9 9.621 5.271 -1.729
89 HH12 ARG 9 2HH1 ARG 9 11.347 5.266 -1.862
90 HH21 ARG 9 1HH2 ARG 9 11.902 4.815 1.560
91 HH22 ARG 9 2HH2 ARG 9 12.642 5.007 0.006
92 HA PRO 10 HA PRO 10 7.654 -0.754 3.740
93 HB2 PRO 10 2HB PRO 10 5.370 -1.147 5.240
94 HB3 PRO 10 1HB PRO 10 6.656 -0.008 5.641
95 HG2 PRO 10 2HG PRO 10 3.964 0.567 4.825
96 HG3 PRO 10 1HG PRO 10 5.238 1.709 5.275
97 HD2 PRO 10 2HD PRO 10 4.306 0.882 2.609
98 HD3 PRO 10 1HD PRO 10 5.200 2.338 3.077
99 H SER 11 H SER 11 4.193 -0.993 2.868
100 HA SER 11 HA SER 11 4.332 -3.820 2.564
101 HG SER 11 HG SER 11 2.631 -2.018 3.905
102 HB2 SER 11 2HB SER 11 2.237 -1.875 1.566
103 HB3 SER 11 1HB SER 11 2.055 -3.626 1.645
104 H ILE 12 H ILE 12 5.975 -1.747 0.830
105 HA ILE 12 HA ILE 12 5.301 -1.959 -1.837
106 HB ILE 12 HB ILE 12 7.145 -0.564 -1.053
107 HG12 ILE 12 2HG1 ILE 12 8.768 -1.063 -2.848
108 HG13 ILE 12 1HG1 ILE 12 8.034 -2.649 -3.061
109 HG21 ILE 12 1HG2 ILE 12 9.050 -1.317 -0.059
110 HG22 ILE 12 2HG2 ILE 12 9.010 -2.868 -0.899
111 HG23 ILE 12 3HG2 ILE 12 7.939 -2.580 0.472
112 HD11 ILE 12 3HD1 ILE 12 7.258 -1.149 -4.769
113 HD12 ILE 12 1HD1 ILE 12 6.725 0.012 -3.555
114 HD13 ILE 12 2HD1 ILE 12 5.923 -1.552 -3.689
Start of MODEL 15
1 HA HIS 1 HA HIS 1 -10.435 -1.473 -4.534
2 HD1 HIS 1 1HD HIS 1 -8.691 1.291 -2.116
3 HD2 HIS 1 2HD HIS 1 -10.709 3.293 -5.147
4 HE1 HIS 1 1HE HIS 1 -8.966 3.652 -1.295
5 HE2 HIS 1 2HE HIS 1 -10.272 4.819 -3.105
6 H1 HIS 1 1HT HIS 1 -12.396 -1.008 -3.449
7 H2 HIS 1 2HT HIS 1 -12.181 0.256 -4.590
8 H3 HIS 1 3HT HIS 1 -11.851 0.532 -2.929
9 HB2 HIS 1 2HB HIS 1 -8.661 0.240 -4.774
10 HB3 HIS 1 1HB HIS 1 -10.147 0.700 -5.595
11 HA PRO 2 HA PRO 2 -8.928 -2.646 -0.528
12 HB2 PRO 2 2HB PRO 2 -6.572 -3.789 -1.297
13 HB3 PRO 2 1HB PRO 2 -8.142 -4.569 -1.530
14 HG2 PRO 2 2HG PRO 2 -6.552 -2.912 -3.473
15 HG3 PRO 2 1HG PRO 2 -7.283 -4.516 -3.718
16 HD2 PRO 2 2HD PRO 2 -8.551 -2.365 -4.592
17 HD3 PRO 2 1HD PRO 2 -9.444 -3.648 -3.749
18 H LEU 3 H LEU 3 -6.318 -2.808 0.185
19 HA LEU 3 HA LEU 3 -5.613 -0.008 0.498
20 HG LEU 3 HG LEU 3 -5.464 -3.490 1.802
21 HB2 LEU 3 2HB LEU 3 -3.961 -0.895 2.176
22 HB3 LEU 3 1HB LEU 3 -5.657 -1.144 2.555
23 HD11 LEU 3 1HD1 LEU 3 -3.124 -4.390 1.553
24 HD12 LEU 3 2HD1 LEU 3 -2.595 -2.719 1.357
25 HD13 LEU 3 3HD1 LEU 3 -3.730 -3.426 0.206
26 HD21 LEU 3 3HD2 LEU 3 -3.730 -4.129 3.650
27 HD22 LEU 3 1HD2 LEU 3 -5.256 -3.361 4.085
28 HD23 LEU 3 2HD2 LEU 3 -3.779 -2.402 4.006
29 H LYS 4 H LYS 4 -5.157 -1.187 -2.056
30 HA LYS 4 HA LYS 4 -2.458 -1.923 -2.414
31 HB2 LYS 4 2HB LYS 4 -4.113 -2.499 -4.068
32 HB3 LYS 4 1HB LYS 4 -4.511 -0.807 -4.310
33 HG2 LYS 4 2HG LYS 4 -3.238 -1.440 -6.172
34 HG3 LYS 4 1HG LYS 4 -2.158 -0.493 -5.153
35 HD2 LYS 4 2HD LYS 4 -2.244 -3.510 -5.218
36 HD3 LYS 4 1HD LYS 4 -1.111 -2.525 -6.138
37 HE2 LYS 4 2HE LYS 4 -0.288 -1.579 -3.987
38 HE3 LYS 4 1HE LYS 4 -1.337 -2.714 -3.141
39 HZ1 LYS 4 3HZ LYS 4 -0.144 -4.543 -4.061
40 HZ2 LYS 4 1HZ LYS 4 0.979 -3.485 -3.363
41 HZ3 LYS 4 2HZ LYS 4 0.784 -3.525 -5.044
42 H GLN 5 H GLN 5 -3.971 1.100 -1.919
43 HA GLN 5 HA GLN 5 -1.810 2.605 -3.140
44 HB2 GLN 5 2HB GLN 5 -3.111 4.592 -2.464
45 HB3 GLN 5 1HB GLN 5 -4.034 3.466 -3.451
46 HG2 GLN 5 2HG GLN 5 -5.120 2.593 -1.460
47 HG3 GLN 5 1HG GLN 5 -4.182 3.694 -0.455
48 HE21 GLN 5 1HE2 GLN 5 -4.846 5.343 -3.235
49 HE22 GLN 5 2HE2 GLN 5 -6.308 6.147 -2.741
50 H TYR 6 H TYR 6 -2.198 1.097 -0.245
51 HA TYR 6 HA TYR 6 -0.933 3.161 1.366
52 HD1 TYR 6 1HD TYR 6 -2.245 3.483 3.989
53 HD2 TYR 6 2HD TYR 6 -4.163 0.924 1.199
54 HE1 TYR 6 1HE TYR 6 -4.378 4.633 4.416
55 HE2 TYR 6 2HE TYR 6 -6.313 2.043 1.631
56 HH TYR 6 HH TYR 6 -6.533 4.992 3.305
57 HB2 TYR 6 2HB TYR 6 -1.964 0.405 2.005
58 HB3 TYR 6 1HB TYR 6 -1.161 1.439 3.186
59 H TRP 7 H TRP 7 0.051 0.510 -0.540
60 HA TRP 7 HA TRP 7 2.394 -0.170 0.880
61 HD1 TRP 7 HD TRP 7 -0.844 -0.958 -1.447
62 HE1 TRP 7 1HE TRP 7 -2.028 -3.111 -0.682
63 HE3 TRP 7 3HE TRP 7 3.186 -3.454 0.248
64 HZ2 TRP 7 2HZ TRP 7 -1.306 -5.578 0.535
65 HZ3 TRP 7 3HZ TRP 7 2.908 -5.713 1.221
66 HH2 TRP 7 HH TRP 7 0.696 -6.746 1.362
67 HB2 TRP 7 2HB TRP 7 1.858 -0.593 -2.060
68 HB3 TRP 7 1HB TRP 7 2.965 -1.502 -1.035
69 H TRP 8 H TRP 8 2.557 2.368 0.984
70 HA TRP 8 HA TRP 8 3.907 3.622 -1.195
71 HD1 TRP 8 HD TRP 8 3.986 6.063 -1.838
72 HE1 TRP 8 1HE TRP 8 5.468 8.158 -1.645
73 HE3 TRP 8 3HE TRP 8 5.004 5.879 3.170
74 HZ2 TRP 8 2HZ TRP 8 6.879 9.550 0.364
75 HZ3 TRP 8 3HZ TRP 8 6.428 7.631 4.148
76 HH2 TRP 8 HH TRP 8 7.345 9.427 2.773
77 HB2 TRP 8 2HB TRP 8 2.544 4.832 0.476
78 HB3 TRP 8 1HB TRP 8 3.741 4.457 1.704
79 H ARG 9 H ARG 9 4.913 2.076 1.827
80 HA ARG 9 HA ARG 9 7.655 2.081 0.785
81 HE ARG 9 HE ARG 9 10.107 3.792 2.455
82 HB2 ARG 9 2HB ARG 9 6.859 2.910 3.567
83 HB3 ARG 9 1HB ARG 9 8.515 2.615 3.054
84 HG2 ARG 9 2HG ARG 9 6.677 4.690 1.882
85 HG3 ARG 9 1HG ARG 9 7.948 4.999 3.067
86 HD2 ARG 9 2HD ARG 9 8.344 3.883 0.291
87 HD3 ARG 9 1HD ARG 9 8.679 5.539 0.794
88 HH11 ARG 9 1HH1 ARG 9 10.060 4.857 -0.869
89 HH12 ARG 9 2HH1 ARG 9 11.755 4.592 -1.108
90 HH21 ARG 9 1HH2 ARG 9 12.336 3.445 2.142
91 HH22 ARG 9 2HH2 ARG 9 13.047 3.792 0.602
92 HA PRO 10 HA PRO 10 6.687 -1.794 3.557
93 HB2 PRO 10 2HB PRO 10 4.946 -3.374 2.251
94 HB3 PRO 10 1HB PRO 10 4.401 -2.140 3.396
95 HG2 PRO 10 2HG PRO 10 4.587 -1.978 0.402
96 HG3 PRO 10 1HG PRO 10 3.224 -1.552 1.457
97 HD2 PRO 10 2HD PRO 10 4.899 0.332 0.522
98 HD3 PRO 10 1HD PRO 10 4.219 0.419 2.163
99 H SER 11 H SER 11 6.963 -1.327 0.126
100 HA SER 11 HA SER 11 8.043 -3.886 -0.496
101 HG SER 11 HG SER 11 6.404 -3.409 -2.055
102 HB2 SER 11 2HB SER 11 8.243 -1.265 -1.997
103 HB3 SER 11 1HB SER 11 8.679 -2.845 -2.646
104 H ILE 12 H ILE 12 9.317 -1.456 1.356
105 HA ILE 12 HA ILE 12 12.074 -2.211 0.631
106 HB ILE 12 HB ILE 12 11.132 0.406 1.818
107 HG12 ILE 12 2HG1 ILE 12 12.016 1.368 -0.307
108 HG13 ILE 12 1HG1 ILE 12 12.282 -0.268 -0.900
109 HG21 ILE 12 1HG2 ILE 12 13.299 -0.266 2.715
110 HG22 ILE 12 2HG2 ILE 12 13.460 1.123 1.640
111 HG23 ILE 12 3HG2 ILE 12 13.917 -0.485 1.078
112 HD11 ILE 12 3HD1 ILE 12 10.057 1.215 -1.346
113 HD12 ILE 12 1HD1 ILE 12 9.560 0.241 0.036
114 HD13 ILE 12 2HD1 ILE 12 10.132 -0.545 -1.435
Start of MODEL 16
1 HA HIS 1 HA HIS 1 -10.894 0.231 -4.030
2 HD1 HIS 1 1HD HIS 1 -12.036 3.161 -1.561
3 HD2 HIS 1 2HD HIS 1 -7.918 3.502 -2.006
4 HE1 HIS 1 1HE HIS 1 -11.271 4.610 0.345
5 HE2 HIS 1 2HE HIS 1 -8.764 4.707 0.121
6 H1 HIS 1 1HT HIS 1 -12.578 1.788 -2.993
7 H2 HIS 1 2HT HIS 1 -12.004 1.173 -1.499
8 H3 HIS 1 3HT HIS 1 -12.677 0.110 -2.666
9 HB2 HIS 1 2HB HIS 1 -9.203 2.025 -3.852
10 HB3 HIS 1 1HB HIS 1 -10.818 2.673 -4.123
11 HA PRO 2 HA PRO 2 -8.907 -2.472 -1.074
12 HB2 PRO 2 2HB PRO 2 -6.653 -2.919 -2.658
13 HB3 PRO 2 1HB PRO 2 -8.151 -3.855 -2.717
14 HG2 PRO 2 2HG PRO 2 -7.293 -1.544 -4.422
15 HG3 PRO 2 1HG PRO 2 -8.084 -3.061 -4.905
16 HD2 PRO 2 2HD PRO 2 -9.544 -0.882 -4.715
17 HD3 PRO 2 1HD PRO 2 -10.140 -2.398 -4.001
18 H LEU 3 H LEU 3 -6.507 -2.767 -0.437
19 HA LEU 3 HA LEU 3 -5.623 -0.167 0.522
20 HG LEU 3 HG LEU 3 -5.476 -3.890 0.845
21 HB2 LEU 3 2HB LEU 3 -4.138 -1.453 2.022
22 HB3 LEU 3 1HB LEU 3 -5.835 -1.844 2.210
23 HD11 LEU 3 1HD1 LEU 3 -2.653 -2.891 0.865
24 HD12 LEU 3 2HD1 LEU 3 -3.619 -3.470 -0.493
25 HD13 LEU 3 3HD1 LEU 3 -3.016 -4.609 0.710
26 HD21 LEU 3 3HD2 LEU 3 -3.799 -4.886 2.667
27 HD22 LEU 3 1HD2 LEU 3 -5.483 -4.502 3.024
28 HD23 LEU 3 2HD2 LEU 3 -4.207 -3.367 3.463
29 H LYS 4 H LYS 4 -5.147 -1.244 -2.282
30 HA LYS 4 HA LYS 4 -2.491 -1.900 -2.692
31 HB2 LYS 4 2HB LYS 4 -4.251 -0.219 -4.470
32 HB3 LYS 4 1HB LYS 4 -2.774 -1.038 -4.956
33 HG2 LYS 4 2HG LYS 4 -3.818 -3.196 -4.437
34 HG3 LYS 4 1HG LYS 4 -5.304 -2.347 -4.002
35 HD2 LYS 4 2HD LYS 4 -5.509 -1.491 -6.264
36 HD3 LYS 4 1HD LYS 4 -3.979 -2.250 -6.713
37 HE2 LYS 4 2HE LYS 4 -4.939 -4.450 -6.260
38 HE3 LYS 4 1HE LYS 4 -6.464 -3.696 -5.804
39 HZ1 LYS 4 3HZ LYS 4 -6.320 -2.677 -8.158
40 HZ2 LYS 4 1HZ LYS 4 -6.831 -4.281 -7.983
41 HZ3 LYS 4 2HZ LYS 4 -5.247 -3.945 -8.470
42 H GLN 5 H GLN 5 -3.892 1.138 -1.897
43 HA GLN 5 HA GLN 5 -1.499 2.615 -2.623
44 HB2 GLN 5 2HB GLN 5 -2.778 4.565 -1.765
45 HB3 GLN 5 1HB GLN 5 -3.569 3.706 -3.078
46 HG2 GLN 5 2HG GLN 5 -5.028 2.584 -1.494
47 HG3 GLN 5 1HG GLN 5 -4.216 3.398 -0.155
48 HE21 GLN 5 1HE2 GLN 5 -5.304 5.043 0.623
49 HE22 GLN 5 2HE2 GLN 5 -6.360 6.098 -0.275
50 H TYR 6 H TYR 6 -2.096 0.623 -0.186
51 HA TYR 6 HA TYR 6 -1.174 2.357 1.957
52 HD1 TYR 6 1HD TYR 6 -3.953 1.058 0.763
53 HD2 TYR 6 2HD TYR 6 -2.950 0.932 4.893
54 HE1 TYR 6 1HE TYR 6 -6.190 1.913 1.326
55 HE2 TYR 6 2HE TYR 6 -5.184 1.782 5.469
56 HH TYR 6 HH TYR 6 -7.327 3.055 3.121
57 HB2 TYR 6 2HB TYR 6 -2.035 -0.527 1.934
58 HB3 TYR 6 1HB TYR 6 -1.376 0.264 3.362
59 H TRP 7 H TRP 7 0.096 0.018 -0.223
60 HA TRP 7 HA TRP 7 2.527 -0.235 1.334
61 HD1 TRP 7 HD TRP 7 -0.550 -1.654 -1.050
62 HE1 TRP 7 1HE TRP 7 -0.898 -1.938 -3.605
63 HE3 TRP 7 3HE TRP 7 4.288 -1.748 -2.457
64 HZ2 TRP 7 2HZ TRP 7 0.733 -2.151 -5.925
65 HZ3 TRP 7 3HZ TRP 7 4.866 -1.984 -4.854
66 HH2 TRP 7 HH TRP 7 3.114 -2.176 -6.550
67 HB2 TRP 7 2HB TRP 7 3.250 -1.849 -0.394
68 HB3 TRP 7 1HB TRP 7 1.756 -2.301 0.418
69 H TRP 8 H TRP 8 2.503 2.196 0.894
70 HA TRP 8 HA TRP 8 3.530 3.040 -1.639
71 HD1 TRP 8 HD TRP 8 3.429 5.285 -2.787
72 HE1 TRP 8 1HE TRP 8 4.751 7.465 -3.145
73 HE3 TRP 8 3HE TRP 8 4.714 6.265 2.066
74 HZ2 TRP 8 2HZ TRP 8 6.151 9.350 -1.579
75 HZ3 TRP 8 3HZ TRP 8 6.043 8.278 2.550
76 HH2 TRP 8 HH TRP 8 6.746 9.788 0.765
77 HB2 TRP 8 2HB TRP 8 2.207 4.505 -0.169
78 HB3 TRP 8 1HB TRP 8 3.496 4.473 1.022
79 H ARG 9 H ARG 9 4.924 2.297 1.530
80 HA ARG 9 HA ARG 9 7.558 2.244 0.235
81 HE ARG 9 HE ARG 9 10.182 3.681 -0.016
82 HB2 ARG 9 2HB ARG 9 6.935 3.632 2.833
83 HB3 ARG 9 1HB ARG 9 8.559 3.332 2.230
84 HG2 ARG 9 2HG ARG 9 6.461 4.979 0.835
85 HG3 ARG 9 1HG ARG 9 7.805 5.617 1.781
86 HD2 ARG 9 2HD ARG 9 8.038 3.932 -0.711
87 HD3 ARG 9 1HD ARG 9 8.283 5.675 -0.622
88 HH11 ARG 9 1HH1 ARG 9 9.075 6.810 1.064
89 HH12 ARG 9 2HH1 ARG 9 10.575 7.216 1.825
90 HH21 ARG 9 1HH2 ARG 9 12.159 4.221 0.976
91 HH22 ARG 9 2HH2 ARG 9 12.326 5.749 1.772
92 HA PRO 10 HA PRO 10 7.017 -0.964 3.857
93 HB2 PRO 10 2HB PRO 10 5.517 -2.978 2.861
94 HB3 PRO 10 1HB PRO 10 4.810 -1.628 3.760
95 HG2 PRO 10 2HG PRO 10 5.031 -1.997 0.788
96 HG3 PRO 10 1HG PRO 10 3.611 -1.546 1.753
97 HD2 PRO 10 2HD PRO 10 5.054 0.324 0.482
98 HD3 PRO 10 1HD PRO 10 4.378 0.621 2.100
99 H SER 11 H SER 11 7.361 -1.194 0.408
100 HA SER 11 HA SER 11 8.712 -3.676 0.290
101 HG SER 11 HG SER 11 8.555 -0.817 -2.593
102 HB2 SER 11 2HB SER 11 9.429 -2.934 -1.957
103 HB3 SER 11 1HB SER 11 7.706 -2.667 -1.696
104 H ILE 12 H ILE 12 9.683 -0.792 1.691
105 HA ILE 12 HA ILE 12 11.663 -0.071 2.550
106 HB ILE 12 HB ILE 12 12.675 -2.811 1.772
107 HG12 ILE 12 2HG1 ILE 12 10.778 -2.920 3.317
108 HG13 ILE 12 1HG1 ILE 12 12.270 -3.386 4.130
109 HG21 ILE 12 1HG2 ILE 12 14.490 -1.223 2.119
110 HG22 ILE 12 2HG2 ILE 12 14.436 -2.411 3.422
111 HG23 ILE 12 3HG2 ILE 12 13.817 -0.782 3.687
112 HD11 ILE 12 3HD1 ILE 12 12.135 -0.695 4.618
113 HD12 ILE 12 1HD1 ILE 12 11.634 -1.974 5.724
114 HD13 ILE 12 2HD1 ILE 12 10.445 -1.194 4.682
Start of MODEL 17
1 HA HIS 1 HA HIS 1 -11.573 0.896 -2.592
2 HD1 HIS 1 1HD HIS 1 -11.627 3.450 0.476
3 HD2 HIS 1 2HD HIS 1 -7.856 3.732 -1.246
4 HE1 HIS 1 1HE HIS 1 -10.183 4.574 2.200
5 HE2 HIS 1 2HE HIS 1 -7.884 4.642 1.174
6 H1 HIS 1 1HT HIS 1 -12.694 2.283 -0.838
7 H2 HIS 1 2HT HIS 1 -11.664 1.474 0.273
8 H3 HIS 1 3HT HIS 1 -12.758 0.576 -0.699
9 HB2 HIS 1 2HB HIS 1 -9.779 2.601 -2.752
10 HB3 HIS 1 1HB HIS 1 -11.345 3.312 -2.374
11 HA PRO 2 HA PRO 2 -8.812 -2.321 -1.322
12 HB2 PRO 2 2HB PRO 2 -6.899 -1.838 -3.337
13 HB3 PRO 2 1HB PRO 2 -8.258 -2.962 -3.419
14 HG2 PRO 2 2HG PRO 2 -8.067 -0.144 -4.392
15 HG3 PRO 2 1HG PRO 2 -8.856 -1.547 -5.143
16 HD2 PRO 2 2HD PRO 2 -10.356 0.249 -3.938
17 HD3 PRO 2 1HD PRO 2 -10.648 -1.481 -3.624
18 H LEU 3 H LEU 3 -6.623 -2.683 -0.747
19 HA LEU 3 HA LEU 3 -5.498 -0.356 0.583
20 HG LEU 3 HG LEU 3 -5.662 -4.070 0.308
21 HB2 LEU 3 2HB LEU 3 -4.067 -1.976 1.780
22 HB3 LEU 3 1HB LEU 3 -5.786 -2.251 1.996
23 HD11 LEU 3 1HD1 LEU 3 -3.256 -4.946 -0.035
24 HD12 LEU 3 2HD1 LEU 3 -2.779 -3.284 0.314
25 HD13 LEU 3 3HD1 LEU 3 -3.843 -3.629 -1.050
26 HD21 LEU 3 3HD2 LEU 3 -5.130 -4.172 2.934
27 HD22 LEU 3 1HD2 LEU 3 -3.621 -4.827 2.299
28 HD23 LEU 3 2HD2 LEU 3 -5.156 -5.596 1.895
29 H LYS 4 H LYS 4 -5.109 -1.339 -2.415
30 HA LYS 4 HA LYS 4 -2.439 -1.933 -2.805
31 HB2 LYS 4 2HB LYS 4 -4.130 -0.169 -4.573
32 HB3 LYS 4 1HB LYS 4 -2.653 -0.997 -5.040
33 HG2 LYS 4 2HG LYS 4 -3.801 -3.157 -4.545
34 HG3 LYS 4 1HG LYS 4 -5.286 -2.235 -4.307
35 HD2 LYS 4 2HD LYS 4 -3.651 -2.392 -6.837
36 HD3 LYS 4 1HD LYS 4 -5.229 -3.128 -6.559
37 HE2 LYS 4 2HE LYS 4 -4.609 -0.177 -6.619
38 HE3 LYS 4 1HE LYS 4 -5.464 -1.094 -7.859
39 HZ1 LYS 4 3HZ LYS 4 -7.008 0.093 -6.456
40 HZ2 LYS 4 1HZ LYS 4 -6.381 -0.653 -5.073
41 HZ3 LYS 4 2HZ LYS 4 -7.200 -1.572 -6.234
42 H GLN 5 H GLN 5 -3.876 1.031 -1.852
43 HA GLN 5 HA GLN 5 -1.530 2.606 -2.487
44 HB2 GLN 5 2HB GLN 5 -2.811 4.438 -1.398
45 HB3 GLN 5 1HB GLN 5 -3.629 3.694 -2.766
46 HG2 GLN 5 2HG GLN 5 -5.019 2.397 -1.256
47 HG3 GLN 5 1HG GLN 5 -4.175 3.087 0.131
48 HE21 GLN 5 1HE2 GLN 5 -5.272 4.614 1.107
49 HE22 GLN 5 2HE2 GLN 5 -6.366 5.742 0.351
50 H TYR 6 H TYR 6 -2.021 0.395 -0.197
51 HA TYR 6 HA TYR 6 -1.035 1.966 2.040
52 HD1 TYR 6 1HD TYR 6 -3.883 0.732 0.924
53 HD2 TYR 6 2HD TYR 6 -2.588 0.296 4.949
54 HE1 TYR 6 1HE TYR 6 -6.074 1.527 1.709
55 HE2 TYR 6 2HE TYR 6 -4.777 1.082 5.748
56 HH TYR 6 HH TYR 6 -6.982 2.644 3.824
57 HB2 TYR 6 2HB TYR 6 -1.884 -0.912 1.815
58 HB3 TYR 6 1HB TYR 6 -1.133 -0.257 3.267
59 H TRP 7 H TRP 7 0.153 -0.216 -0.346
60 HA TRP 7 HA TRP 7 2.665 -0.513 1.075
61 HD1 TRP 7 HD TRP 7 -0.498 -1.836 -1.258
62 HE1 TRP 7 1HE TRP 7 -0.946 -1.973 -3.811
63 HE3 TRP 7 3HE TRP 7 4.277 -1.763 -2.864
64 HZ2 TRP 7 2HZ TRP 7 0.587 -2.014 -6.202
65 HZ3 TRP 7 3HZ TRP 7 4.758 -1.842 -5.291
66 HH2 TRP 7 HH TRP 7 2.938 -1.961 -6.924
67 HB2 TRP 7 2HB TRP 7 3.326 -2.015 -0.768
68 HB3 TRP 7 1HB TRP 7 1.870 -2.533 0.072
69 H TRP 8 H TRP 8 2.560 1.954 0.761
70 HA TRP 8 HA TRP 8 3.700 2.779 -1.782
71 HD1 TRP 8 HD TRP 8 3.439 4.904 -3.159
72 HE1 TRP 8 1HE TRP 8 4.528 7.205 -3.539
73 HE3 TRP 8 3HE TRP 8 3.906 6.397 1.709
74 HZ2 TRP 8 2HZ TRP 8 5.457 9.369 -1.982
75 HZ3 TRP 8 3HZ TRP 8 4.902 8.596 2.177
76 HH2 TRP 8 HH TRP 8 5.663 10.050 0.370
77 HB2 TRP 8 2HB TRP 8 1.971 4.149 -0.684
78 HB3 TRP 8 1HB TRP 8 3.046 4.400 0.684
79 H ARG 9 H ARG 9 4.626 2.310 1.572
80 HA ARG 9 HA ARG 9 7.416 2.809 0.782
81 HE ARG 9 HE ARG 9 7.260 4.162 -0.286
82 HB2 ARG 9 2HB ARG 9 6.086 3.644 3.354
83 HB3 ARG 9 1HB ARG 9 7.816 3.717 3.067
84 HG2 ARG 9 2HG ARG 9 5.798 5.185 1.391
85 HG3 ARG 9 1HG ARG 9 6.581 5.879 2.807
86 HD2 ARG 9 2HD ARG 9 7.782 6.618 0.888
87 HD3 ARG 9 1HD ARG 9 8.782 5.427 1.712
88 HH11 ARG 9 1HH1 ARG 9 9.948 6.354 0.067
89 HH12 ARG 9 2HH1 ARG 9 10.684 5.889 -1.431
90 HH21 ARG 9 1HH2 ARG 9 8.222 3.550 -2.255
91 HH22 ARG 9 2HH2 ARG 9 9.703 4.298 -2.748
92 HA PRO 10 HA PRO 10 6.944 -0.968 3.780
93 HB2 PRO 10 2HB PRO 10 5.891 -3.007 2.378
94 HB3 PRO 10 1HB PRO 10 4.870 -1.880 3.284
95 HG2 PRO 10 2HG PRO 10 5.561 -1.862 0.360
96 HG3 PRO 10 1HG PRO 10 3.971 -1.721 1.128
97 HD2 PRO 10 2HD PRO 10 5.307 0.457 0.282
98 HD3 PRO 10 1HD PRO 10 4.329 0.484 1.765
99 H SER 11 H SER 11 7.655 -0.699 0.388
100 HA SER 11 HA SER 11 9.247 -2.867 -0.127
101 HG SER 11 HG SER 11 9.124 0.640 -0.356
102 HB2 SER 11 2HB SER 11 10.446 -1.443 -1.749
103 HB3 SER 11 1HB SER 11 8.704 -1.183 -1.817
104 H ILE 12 H ILE 12 9.886 -0.293 2.088
105 HA ILE 12 HA ILE 12 12.676 -0.305 2.169
106 HB ILE 12 HB ILE 12 11.347 1.362 3.356
107 HG12 ILE 12 2HG1 ILE 12 12.614 1.402 5.476
108 HG13 ILE 12 1HG1 ILE 12 13.077 -0.278 5.223
109 HG21 ILE 12 1HG2 ILE 12 9.732 -0.588 4.146
110 HG22 ILE 12 2HG2 ILE 12 9.864 0.935 5.026
111 HG23 ILE 12 3HG2 ILE 12 10.738 -0.490 5.591
112 HD11 ILE 12 3HD1 ILE 12 14.892 1.176 4.617
113 HD12 ILE 12 1HD1 ILE 12 13.849 2.071 3.512
114 HD13 ILE 12 2HD1 ILE 12 14.258 0.391 3.170
Start of MODEL 18
1 HA HIS 1 HA HIS 1 -9.846 1.212 -3.394
2 HD1 HIS 1 1HD HIS 1 -10.091 3.424 -4.596
3 HD2 HIS 1 2HD HIS 1 -12.910 4.288 -1.669
4 HE1 HIS 1 1HE HIS 1 -11.745 4.968 -5.692
5 HE2 HIS 1 2HE HIS 1 -13.503 5.382 -3.934
6 H1 HIS 1 1HT HIS 1 -12.094 0.597 -1.598
7 H2 HIS 1 2HT HIS 1 -11.600 -0.289 -2.981
8 H3 HIS 1 3HT HIS 1 -12.232 1.297 -3.156
9 HB2 HIS 1 2HB HIS 1 -10.897 2.656 -0.948
10 HB3 HIS 1 1HB HIS 1 -9.429 3.074 -1.826
11 HA PRO 2 HA PRO 2 -8.845 -2.134 -0.224
12 HB2 PRO 2 2HB PRO 2 -6.880 -3.141 -1.928
13 HB3 PRO 2 1HB PRO 2 -8.530 -3.759 -1.787
14 HG2 PRO 2 2HG PRO 2 -7.393 -1.818 -3.767
15 HG3 PRO 2 1HG PRO 2 -8.512 -3.171 -4.037
16 HD2 PRO 2 2HD PRO 2 -9.458 -0.705 -3.951
17 HD3 PRO 2 1HD PRO 2 -10.311 -2.014 -3.101
18 H LEU 3 H LEU 3 -6.306 -2.904 -0.107
19 HA LEU 3 HA LEU 3 -4.957 -0.513 0.837
20 HG LEU 3 HG LEU 3 -5.320 -4.224 0.948
21 HB2 LEU 3 2HB LEU 3 -3.362 -2.117 1.879
22 HB3 LEU 3 1HB LEU 3 -5.020 -2.255 2.437
23 HD11 LEU 3 1HD1 LEU 3 -2.412 -3.735 0.388
24 HD12 LEU 3 2HD1 LEU 3 -3.737 -3.901 -0.765
25 HD13 LEU 3 3HD1 LEU 3 -3.179 -5.304 0.145
26 HD21 LEU 3 3HD2 LEU 3 -4.158 -5.765 2.353
27 HD22 LEU 3 1HD2 LEU 3 -4.661 -4.397 3.348
28 HD23 LEU 3 2HD2 LEU 3 -2.983 -4.536 2.821
29 H LYS 4 H LYS 4 -5.126 -1.053 -2.037
30 HA LYS 4 HA LYS 4 -2.546 -1.945 -2.861
31 HB2 LYS 4 2HB LYS 4 -4.643 -0.449 -4.434
32 HB3 LYS 4 1HB LYS 4 -3.241 -1.268 -5.108
33 HG2 LYS 4 2HG LYS 4 -5.514 -2.579 -3.638
34 HG3 LYS 4 1HG LYS 4 -5.261 -2.593 -5.384
35 HD2 LYS 4 2HD LYS 4 -3.401 -3.769 -3.317
36 HD3 LYS 4 1HD LYS 4 -4.499 -4.680 -4.355
37 HE2 LYS 4 2HE LYS 4 -2.202 -2.958 -5.279
38 HE3 LYS 4 1HE LYS 4 -2.213 -4.719 -5.218
39 HZ1 LYS 4 3HZ LYS 4 -3.998 -4.739 -6.836
40 HZ2 LYS 4 1HZ LYS 4 -2.665 -3.894 -7.446
41 HZ3 LYS 4 2HZ LYS 4 -4.017 -3.048 -6.882
42 H GLN 5 H GLN 5 -3.984 1.082 -2.095
43 HA GLN 5 HA GLN 5 -1.705 2.567 -3.139
44 HB2 GLN 5 2HB GLN 5 -2.952 4.559 -2.331
45 HB3 GLN 5 1HB GLN 5 -3.865 3.584 -3.475
46 HG2 GLN 5 2HG GLN 5 -5.116 2.583 -1.641
47 HG3 GLN 5 1HG GLN 5 -4.191 3.541 -0.484
48 HE21 GLN 5 1HE2 GLN 5 -5.246 5.225 0.248
49 HE22 GLN 5 2HE2 GLN 5 -6.407 6.176 -0.638
50 H TYR 6 H TYR 6 -2.035 0.670 -0.617
51 HA TYR 6 HA TYR 6 -1.048 2.451 1.453
52 HD1 TYR 6 2HD TYR 6 -3.379 2.070 0.573
53 HD2 TYR 6 1HD TYR 6 -3.246 -0.658 3.832
54 HE1 TYR 6 2HE TYR 6 -5.772 2.438 0.965
55 HE2 TYR 6 1HE TYR 6 -5.648 -0.312 4.223
56 HH TYR 6 HH TYR 6 -7.656 1.337 1.994
57 HB2 TYR 6 2HB TYR 6 -1.532 -0.535 1.543
58 HB3 TYR 6 1HB TYR 6 -1.158 0.491 2.921
59 H TRP 7 H TRP 7 0.154 0.241 -0.871
60 HA TRP 7 HA TRP 7 2.598 -0.421 0.361
61 HD1 TRP 7 HD TRP 7 -0.676 -1.213 -1.895
62 HE1 TRP 7 1HE TRP 7 -1.551 -3.578 -1.366
63 HE3 TRP 7 3HE TRP 7 3.727 -3.407 -0.789
64 HZ2 TRP 7 2HZ TRP 7 -0.470 -6.074 -0.548
65 HZ3 TRP 7 3HZ TRP 7 3.771 -5.790 -0.124
66 HH2 TRP 7 HH TRP 7 1.702 -7.092 -0.003
67 HB2 TRP 7 2HB TRP 7 1.916 -0.430 -2.581
68 HB3 TRP 7 1HB TRP 7 3.195 -1.348 -1.792
69 H TRP 8 H TRP 8 2.545 2.083 0.856
70 HA TRP 8 HA TRP 8 3.977 3.596 -1.170
71 HD1 TRP 8 HD TRP 8 3.856 6.039 -1.841
72 HE1 TRP 8 1HE TRP 8 5.000 8.300 -1.392
73 HE3 TRP 8 3HE TRP 8 3.875 5.939 3.271
74 HZ2 TRP 8 2HZ TRP 8 5.802 9.839 0.834
75 HZ3 TRP 8 3HZ TRP 8 4.847 7.845 4.483
76 HH2 TRP 8 HH TRP 8 5.789 9.754 3.289
77 HB2 TRP 8 2HB TRP 8 2.153 4.612 0.145
78 HB3 TRP 8 1HB TRP 8 3.098 4.392 1.607
79 H ARG 9 H ARG 9 4.499 2.025 1.917
80 HA ARG 9 HA ARG 9 7.377 2.516 1.591
81 HE ARG 9 HE ARG 9 7.041 6.934 2.578
82 HB2 ARG 9 2HB ARG 9 5.825 2.761 4.162
83 HB3 ARG 9 1HB ARG 9 7.579 2.788 4.048
84 HG2 ARG 9 2HG ARG 9 5.704 4.769 2.775
85 HG3 ARG 9 1HG ARG 9 6.657 5.036 4.236
86 HD2 ARG 9 2HD ARG 9 8.714 4.724 2.943
87 HD3 ARG 9 1HD ARG 9 7.759 4.460 1.486
88 HH11 ARG 9 1HH1 ARG 9 9.778 5.403 1.050
89 HH12 ARG 9 2HH1 ARG 9 10.390 6.877 0.380
90 HH21 ARG 9 1HH2 ARG 9 7.845 8.877 1.699
91 HH22 ARG 9 2HH2 ARG 9 9.293 8.850 0.751
92 HA PRO 10 HA PRO 10 6.217 -1.871 3.326
93 HB2 PRO 10 2HB PRO 10 5.434 -3.322 1.204
94 HB3 PRO 10 1HB PRO 10 4.276 -2.396 2.173
95 HG2 PRO 10 2HG PRO 10 5.630 -1.604 -0.395
96 HG3 PRO 10 1HG PRO 10 3.901 -1.574 -0.002
97 HD2 PRO 10 2HD PRO 10 5.365 0.657 0.183
98 HD3 PRO 10 1HD PRO 10 4.124 0.280 1.400
99 H SER 11 H SER 11 7.642 -0.771 0.335
100 HA SER 11 HA SER 11 9.456 -3.011 0.137
101 HG SER 11 HG SER 11 8.562 -1.834 -3.041
102 HB2 SER 11 2HB SER 11 9.384 -0.394 -1.383
103 HB3 SER 11 1HB SER 11 10.420 -1.768 -1.770
104 H ILE 12 H ILE 12 9.576 -1.491 2.620
105 HA ILE 12 HA ILE 12 12.098 -0.044 2.448
106 HB ILE 12 HB ILE 12 10.363 0.945 3.825
107 HG12 ILE 12 2HG1 ILE 12 11.632 1.232 5.918
108 HG13 ILE 12 1HG1 ILE 12 12.617 -0.170 5.512
109 HG21 ILE 12 1HG2 ILE 12 9.862 -1.709 4.607
110 HG22 ILE 12 2HG2 ILE 12 8.996 -0.252 5.094
111 HG23 ILE 12 3HG2 ILE 12 10.348 -0.838 6.063
112 HD11 ILE 12 3HD1 ILE 12 12.544 1.922 3.460
113 HD12 ILE 12 1HD1 ILE 12 13.901 0.992 4.094
114 HD13 ILE 12 2HD1 ILE 12 13.297 2.387 4.987