Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586798 | 2mk7 RC | 19759 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 H1 ACE 1 -2.866 -22.268 6.851
2 H2 ACE 1 H2 ACE 1 -3.069 -23.045 8.421
3 H3 ACE 1 H3 ACE 1 -3.139 -24.007 6.944
4 HA PRO 2 HA PRO 2 1.109 -25.049 6.826
5 HB2 PRO 2 HB2 PRO 2 1.901 -23.451 4.564
6 HB3 PRO 2 HB3 PRO 2 1.569 -25.189 4.614
7 HG2 PRO 2 HG2 PRO 2 -0.125 -22.996 3.692
8 HG3 PRO 2 HG3 PRO 2 -0.238 -24.729 3.357
9 HD2 PRO 2 HD2 PRO 2 -2.017 -23.395 4.957
10 HD3 PRO 2 HD3 PRO 2 -1.635 -25.120 5.156
11 HA PRO 3 HA PRO 3 3.654 -22.204 8.984
12 HB2 PRO 3 HB2 PRO 3 5.880 -22.213 7.156
13 HB3 PRO 3 HB3 PRO 3 5.725 -23.071 8.696
14 HG2 PRO 3 HG2 PRO 3 5.391 -24.064 5.970
15 HG3 PRO 3 HG3 PRO 3 5.676 -24.956 7.471
16 HD2 PRO 3 HD2 PRO 3 3.282 -24.992 6.139
17 HD3 PRO 3 HD3 PRO 3 3.420 -25.220 7.898
18 H THR 4 H THR 4 2.905 -20.148 8.907
19 HA THR 4 HA THR 4 3.054 -18.634 6.400
20 HB THR 4 HB THR 4 1.657 -16.981 7.574
21 HG21 THR 4 HG21 THR 4 -0.296 -18.223 7.443
22 HG22 THR 4 HG22 THR 4 0.411 -19.613 8.267
23 HG23 THR 4 HG23 THR 4 0.809 -19.292 6.579
24 H THR 5 H THR 5 3.741 -16.310 6.591
25 HA THR 5 HA THR 5 5.908 -15.945 8.560
26 HB THR 5 HB THR 5 7.400 -15.109 6.843
27 HG21 THR 5 HG21 THR 5 6.424 -17.531 5.442
28 HG22 THR 5 HG22 THR 5 6.755 -17.728 7.163
29 HG23 THR 5 HG23 THR 5 8.028 -17.169 6.079
30 H THR 6 H THR 6 6.185 -13.869 9.290
31 HA THR 6 HA THR 6 4.128 -11.935 8.441
32 HB THR 6 HB THR 6 4.420 -10.887 10.601
33 HG21 THR 6 HG21 THR 6 3.230 -13.239 10.287
34 HG22 THR 6 HG22 THR 6 3.435 -12.541 11.894
35 HG23 THR 6 HG23 THR 6 4.545 -13.788 11.326
36 H THR 7 H THR 7 4.697 -9.734 8.118
37 HA THR 7 HA THR 7 7.463 -9.398 7.169
38 HB THR 7 HB THR 7 6.588 -7.503 5.882
39 HG21 THR 7 HG21 THR 7 5.510 -8.780 4.270
40 HG22 THR 7 HG22 THR 7 4.544 -9.652 5.460
41 HG23 THR 7 HG23 THR 7 6.248 -10.052 5.242
42 H LYS 8 H LYS 8 8.767 -7.741 7.877
43 HA LYS 8 HA LYS 8 8.150 -6.668 10.492
44 HB2 LYS 8 HB2 LYS 8 10.421 -7.445 9.963
45 HB3 LYS 8 HB3 LYS 8 10.547 -6.226 8.695
46 HG2 LYS 8 HG2 LYS 8 11.041 -4.603 10.182
47 HG3 LYS 8 HG3 LYS 8 9.699 -5.063 11.230
48 HD2 LYS 8 HD2 LYS 8 11.882 -5.339 12.373
49 HD3 LYS 8 HD3 LYS 8 11.046 -6.881 12.187
50 HE2 LYS 8 HE2 LYS 8 12.657 -7.711 10.833
51 HE3 LYS 8 HE3 LYS 8 12.742 -6.223 9.890
52 HZ1 LYS 8 HZ1 LYS 8 14.437 -5.455 11.106
53 HZ2 LYS 8 HZ2 LYS 8 14.651 -7.074 11.576
54 HZ3 LYS 8 HZ3 LYS 8 13.785 -6.004 12.572
55 H LYS 9 H LYS 9 7.243 -4.759 10.894
56 HA LYS 9 HA LYS 9 6.341 -3.028 8.852
57 HB2 LYS 9 HB2 LYS 9 5.358 -3.251 11.164
58 HB3 LYS 9 HB3 LYS 9 6.726 -2.314 11.765
59 HG2 LYS 9 HG2 LYS 9 6.108 -0.520 10.086
60 HG3 LYS 9 HG3 LYS 9 4.626 -1.425 9.773
61 HD2 LYS 9 HD2 LYS 9 4.023 -1.264 12.163
62 HD3 LYS 9 HD3 LYS 9 5.498 -0.348 12.471
63 HE2 LYS 9 HE2 LYS 9 4.554 1.565 11.745
64 HE3 LYS 9 HE3 LYS 9 4.003 0.794 10.257
65 HZ1 LYS 9 HZ1 LYS 9 2.581 1.259 12.734
66 HZ2 LYS 9 HZ2 LYS 9 2.347 -0.282 12.057
67 HZ3 LYS 9 HZ3 LYS 9 1.988 1.111 11.152
68 HA PRO 10 HA PRO 10 9.968 -0.828 7.664
69 HB2 PRO 10 HB2 PRO 10 8.484 1.629 7.428
70 HB3 PRO 10 HB3 PRO 10 9.025 0.549 6.134
71 HG2 PRO 10 HG2 PRO 10 6.390 0.804 7.365
72 HG3 PRO 10 HG3 PRO 10 6.850 0.077 5.819
73 HD2 PRO 10 HD2 PRO 10 6.020 -1.394 7.975
74 HD3 PRO 10 HD3 PRO 10 7.132 -2.024 6.738
75 HN1 NH2 11 HN1 NH2 11 7.830 0.828 10.150
76 HN2 NH2 11 HN2 NH2 11 9.125 0.701 11.240
77 H1 A2G 101 H1 A2G 12 2.685 -16.090 9.424
78 H2 A2G 101 H2 A2G 12 2.164 -15.684 11.791
79 HN2 A2G 101 HN2 A2G 12 3.428 -18.331 11.388
80 H3 A2G 101 H3 A2G 12 0.883 -18.429 11.724
81 HO3 A2G 101 HO3 A2G 12 1.841 -16.848 13.666
82 H4 A2G 101 H4 A2G 12 -1.234 -17.272 12.019
83 HO4 A2G 101 HO4 A2G 12 -0.275 -14.769 11.496
84 H5 A2G 101 H5 A2G 12 -0.501 -17.602 9.699
85 H6 A2G 101 H6 A2G 12 -1.559 -14.778 9.855
86 H8 A2G 101 H8 A2G 12 5.429 -18.408 13.249
87 H8A A2G 101 H8A A2G 12 6.405 -17.001 12.828
88 H8B A2G 101 H8B A2G 12 5.858 -18.104 11.566
89 H14 A2G 101 H14 A2G 12 -1.953 -16.034 8.681
90 H15 A2G 101 H15 A2G 12 -2.705 -17.181 10.727
91 H1 A2G 102 H1 A2G 13 6.500 -13.225 5.769
92 H2 A2G 102 H2 A2G 13 6.320 -12.471 3.437
93 HN2 A2G 102 HN2 A2G 13 3.924 -13.986 4.292
94 H3 A2G 102 H3 A2G 13 5.552 -15.339 2.829
95 HO3 A2G 102 HO3 A2G 13 4.683 -14.338 1.211
96 H4 A2G 102 H4 A2G 13 7.669 -15.486 1.645
97 HO4 A2G 102 HO4 A2G 13 7.598 -12.779 2.056
98 H5 A2G 102 H5 A2G 13 7.730 -16.050 4.033
99 H6 A2G 102 H6 A2G 13 10.152 -14.366 3.324
100 H8 A2G 102 H8 A2G 13 1.858 -12.083 3.244
101 H8A A2G 102 H8A A2G 13 2.159 -11.002 4.604
102 H8B A2G 102 H8B A2G 13 2.129 -12.747 4.855
103 H14 A2G 102 H14 A2G 13 10.104 -15.753 4.413
104 H15 A2G 102 H15 A2G 13 9.619 -15.750 1.620
105 H1 A2G 103 H1 A2G 14 6.568 -9.971 10.697
106 H2 A2G 103 H2 A2G 14 8.381 -9.863 12.353
107 HN2 A2G 103 HN2 A2G 14 8.662 -12.202 10.557
108 H3 A2G 103 H3 A2G 14 7.741 -12.777 12.886
109 HO3 A2G 103 HO3 A2G 14 9.376 -11.151 14.459
110 H4 A2G 103 H4 A2G 14 6.939 -12.051 15.057
111 HO4 A2G 103 HO4 A2G 14 7.396 -10.147 15.795
112 H5 A2G 103 H5 A2G 14 5.264 -12.022 13.267
113 H6 A2G 103 H6 A2G 14 4.686 -9.422 14.594
114 H8 A2G 103 H8 A2G 14 11.472 -11.904 9.768
115 H8A A2G 103 H8A A2G 14 11.152 -10.465 8.799
116 H8B A2G 103 H8B A2G 14 10.029 -11.825 8.757
117 H14 A2G 103 H14 A2G 14 3.691 -10.875 14.486
118 H15 A2G 103 H15 A2G 14 4.361 -11.306 16.410
119 H1 A2G 104 H1 A2G 15 5.742 -5.897 7.342
120 H2 A2G 104 H2 A2G 15 3.722 -4.504 7.488
121 HN2 A2G 104 HN2 A2G 15 3.401 -7.064 8.941
122 H3 A2G 104 H3 A2G 15 2.231 -7.008 6.658
123 HO3 A2G 104 HO3 A2G 15 1.122 -5.603 8.062
124 H4 A2G 104 H4 A2G 15 1.769 -5.863 4.569
125 HO4 A2G 104 HO4 A2G 15 3.353 -3.820 4.551
126 H5 A2G 104 H5 A2G 15 3.864 -7.136 4.613
127 H6 A2G 104 H6 A2G 15 4.966 -4.806 3.249
128 H8 A2G 104 H8 A2G 15 2.472 -5.755 11.670
129 H8A A2G 104 H8A A2G 15 4.215 -5.564 11.857
130 H8B A2G 104 H8B A2G 15 3.563 -7.022 11.109
131 H14 A2G 104 H14 A2G 15 4.421 -6.340 2.571
132 H15 A2G 104 H15 A2G 15 2.876 -5.127 1.817
Start of MODEL 2
1 H1 ACE 1 H1 ACE 1 1.605 -25.465 2.756
2 H2 ACE 1 H2 ACE 1 3.111 -25.027 3.564
3 H3 ACE 1 H3 ACE 1 2.381 -23.923 2.397
4 HA PRO 2 HA PRO 2 -0.966 -23.999 5.979
5 HB2 PRO 2 HB2 PRO 2 0.354 -25.242 8.217
6 HB3 PRO 2 HB3 PRO 2 -1.124 -25.759 7.392
7 HG2 PRO 2 HG2 PRO 2 1.605 -26.761 7.123
8 HG3 PRO 2 HG3 PRO 2 0.074 -27.519 6.667
9 HD2 PRO 2 HD2 PRO 2 1.876 -26.572 4.837
10 HD3 PRO 2 HD3 PRO 2 0.127 -26.650 4.528
11 HA PRO 3 HA PRO 3 2.407 -22.160 9.143
12 HB2 PRO 3 HB2 PRO 3 4.753 -21.952 7.484
13 HB3 PRO 3 HB3 PRO 3 4.563 -22.836 9.006
14 HG2 PRO 3 HG2 PRO 3 4.521 -23.828 6.260
15 HG3 PRO 3 HG3 PRO 3 4.773 -24.706 7.776
16 HD2 PRO 3 HD2 PRO 3 2.496 -24.943 6.270
17 HD3 PRO 3 HD3 PRO 3 2.525 -25.174 8.034
18 H THR 4 H THR 4 3.323 -19.937 9.048
19 HA THR 4 HA THR 4 2.817 -18.483 6.551
20 HB THR 4 HB THR 4 1.443 -16.800 7.713
21 HG21 THR 4 HG21 THR 4 0.521 -19.020 6.668
22 HG22 THR 4 HG22 THR 4 -0.553 -18.020 7.646
23 HG23 THR 4 HG23 THR 4 0.191 -19.459 8.343
24 H THR 5 H THR 5 3.558 -16.182 6.734
25 HA THR 5 HA THR 5 5.705 -15.850 8.730
26 HB THR 5 HB THR 5 7.235 -15.053 7.022
27 HG21 THR 5 HG21 THR 5 6.242 -17.482 5.647
28 HG22 THR 5 HG22 THR 5 6.546 -17.657 7.375
29 HG23 THR 5 HG23 THR 5 7.843 -17.133 6.300
30 H THR 6 H THR 6 6.088 -13.746 9.384
31 HA THR 6 HA THR 6 4.040 -11.794 8.554
32 HB THR 6 HB THR 6 4.433 -10.695 10.678
33 HG21 THR 6 HG21 THR 6 4.493 -13.577 11.477
34 HG22 THR 6 HG22 THR 6 3.171 -13.024 10.450
35 HG23 THR 6 HG23 THR 6 3.428 -12.285 12.030
36 H THR 7 H THR 7 4.653 -9.589 8.221
37 HA THR 7 HA THR 7 7.373 -9.339 7.124
38 HB THR 7 HB THR 7 6.478 -7.389 5.908
39 HG21 THR 7 HG21 THR 7 5.320 -8.634 4.318
40 HG22 THR 7 HG22 THR 7 4.427 -9.546 5.536
41 HG23 THR 7 HG23 THR 7 6.123 -9.916 5.225
42 H LYS 8 H LYS 8 8.764 -7.723 7.759
43 HA LYS 8 HA LYS 8 8.323 -6.632 10.402
44 HB2 LYS 8 HB2 LYS 8 10.537 -7.377 9.984
45 HB3 LYS 8 HB3 LYS 8 10.619 -6.514 8.448
46 HG2 LYS 8 HG2 LYS 8 10.883 -4.438 9.473
47 HG3 LYS 8 HG3 LYS 8 10.124 -4.970 10.974
48 HD2 LYS 8 HD2 LYS 8 12.063 -6.330 11.529
49 HD3 LYS 8 HD3 LYS 8 12.810 -5.959 9.975
50 HE2 LYS 8 HE2 LYS 8 13.661 -4.578 11.929
51 HE3 LYS 8 HE3 LYS 8 13.066 -3.642 10.558
52 HZ1 LYS 8 HZ1 LYS 8 11.334 -2.868 11.726
53 HZ2 LYS 8 HZ2 LYS 8 12.275 -3.274 13.082
54 HZ3 LYS 8 HZ3 LYS 8 11.069 -4.337 12.533
55 H LYS 9 H LYS 9 8.173 -4.461 10.957
56 HA LYS 9 HA LYS 9 6.737 -2.784 9.193
57 HB2 LYS 9 HB2 LYS 9 8.163 -2.259 11.801
58 HB3 LYS 9 HB3 LYS 9 7.268 -1.007 10.941
59 HG2 LYS 9 HG2 LYS 9 5.739 -3.482 11.160
60 HG3 LYS 9 HG3 LYS 9 6.191 -2.843 12.741
61 HD2 LYS 9 HD2 LYS 9 5.280 -0.631 12.096
62 HD3 LYS 9 HD3 LYS 9 4.795 -1.297 10.536
63 HE2 LYS 9 HE2 LYS 9 2.922 -2.179 11.424
64 HE3 LYS 9 HE3 LYS 9 3.846 -2.980 12.694
65 HZ1 LYS 9 HZ1 LYS 9 2.445 -1.496 13.801
66 HZ2 LYS 9 HZ2 LYS 9 2.728 -0.243 12.688
67 HZ3 LYS 9 HZ3 LYS 9 3.947 -0.709 13.776
68 HA PRO 10 HA PRO 10 9.592 -0.792 6.553
69 HB2 PRO 10 HB2 PRO 10 8.887 1.884 7.356
70 HB3 PRO 10 HB3 PRO 10 8.385 1.009 5.901
71 HG2 PRO 10 HG2 PRO 10 6.932 1.467 8.393
72 HG3 PRO 10 HG3 PRO 10 6.323 0.999 6.799
73 HD2 PRO 10 HD2 PRO 10 6.381 -0.709 8.939
74 HD3 PRO 10 HD3 PRO 10 6.490 -1.261 7.251
75 HN1 NH2 11 HN1 NH2 11 11.991 -0.279 7.031
76 HN2 NH2 11 HN2 NH2 11 12.122 1.236 7.784
77 H1 A2G 101 H1 A2G 12 2.411 -15.903 9.548
78 H2 A2G 101 H2 A2G 12 1.944 -15.510 11.928
79 HN2 A2G 101 HN2 A2G 12 3.236 -18.136 11.479
80 H3 A2G 101 H3 A2G 12 0.706 -18.275 11.895
81 HO3 A2G 101 HO3 A2G 12 1.788 -16.885 13.800
82 H4 A2G 101 H4 A2G 12 -1.426 -17.165 12.224
83 HO4 A2G 101 HO4 A2G 12 -0.667 -14.636 11.699
84 H5 A2G 101 H5 A2G 12 -0.752 -17.452 9.884
85 H6 A2G 101 H6 A2G 12 -1.947 -14.703 10.370
86 H8 A2G 101 H8 A2G 12 5.104 -18.368 13.173
87 H8A A2G 101 H8A A2G 12 6.086 -16.904 13.252
88 H8B A2G 101 H8B A2G 12 5.830 -17.713 11.705
89 H14 A2G 101 H14 A2G 12 -2.079 -15.636 8.879
90 H15 A2G 101 H15 A2G 12 -3.606 -15.765 11.037
91 H1 A2G 102 H1 A2G 13 6.378 -13.172 5.907
92 H2 A2G 102 H2 A2G 13 6.239 -12.453 3.562
93 HN2 A2G 102 HN2 A2G 13 3.807 -13.923 4.395
94 H3 A2G 102 H3 A2G 13 5.436 -15.319 2.989
95 HO3 A2G 102 HO3 A2G 13 4.494 -13.724 1.657
96 H4 A2G 102 H4 A2G 13 7.566 -15.516 1.835
97 HO4 A2G 102 HO4 A2G 13 8.567 -13.145 2.811
98 H5 A2G 102 H5 A2G 13 7.588 -16.043 4.233
99 H6 A2G 102 H6 A2G 13 10.032 -14.421 3.449
100 H8 A2G 102 H8 A2G 13 1.754 -12.208 3.495
101 H8A A2G 102 H8A A2G 13 2.092 -10.823 4.533
102 H8B A2G 102 H8B A2G 13 2.126 -12.454 5.201
103 H14 A2G 102 H14 A2G 13 9.975 -15.696 4.666
104 H15 A2G 102 H15 A2G 13 9.396 -17.149 3.010
105 H1 A2G 103 H1 A2G 14 6.614 -9.845 10.690
106 H2 A2G 103 H2 A2G 14 8.466 -9.757 12.304
107 HN2 A2G 103 HN2 A2G 14 8.636 -12.153 10.572
108 H3 A2G 103 H3 A2G 14 7.729 -12.629 12.929
109 HO3 A2G 103 HO3 A2G 14 9.975 -11.341 13.126
110 H4 A2G 103 H4 A2G 14 7.020 -11.807 15.103
111 HO4 A2G 103 HO4 A2G 14 7.821 -9.991 15.728
112 H5 A2G 103 H5 A2G 14 5.314 -11.795 13.338
113 H6 A2G 103 H6 A2G 14 4.780 -9.152 14.572
114 H8 A2G 103 H8 A2G 14 11.484 -11.954 9.806
115 H8A A2G 103 H8A A2G 14 11.169 -10.594 8.728
116 H8B A2G 103 H8B A2G 14 10.041 -11.949 8.792
117 H14 A2G 103 H14 A2G 14 3.801 -10.620 14.591
118 H15 A2G 103 H15 A2G 14 5.427 -11.468 16.068
119 H1 A2G 104 H1 A2G 15 5.685 -5.811 7.433
120 H2 A2G 104 H2 A2G 15 3.677 -4.417 7.674
121 HN2 A2G 104 HN2 A2G 15 3.393 -7.011 9.076
122 H3 A2G 104 H3 A2G 15 2.157 -6.896 6.822
123 HO3 A2G 104 HO3 A2G 15 0.403 -5.466 6.942
124 H4 A2G 104 H4 A2G 15 1.627 -5.677 4.788
125 HO4 A2G 104 HO4 A2G 15 2.868 -3.649 4.504
126 H5 A2G 104 H5 A2G 15 3.704 -6.986 4.749
127 H6 A2G 104 H6 A2G 15 4.355 -4.348 3.436
128 H8 A2G 104 H8 A2G 15 2.446 -6.284 11.567
129 H8A A2G 104 H8A A2G 15 3.759 -5.265 12.156
130 H8B A2G 104 H8B A2G 15 4.121 -6.805 11.377
131 H14 A2G 104 H14 A2G 15 4.676 -5.977 2.844
132 H15 A2G 104 H15 A2G 15 2.825 -5.901 1.901
Start of MODEL 3
1 H1 ACE 1 H1 ACE 1 -0.758 -24.253 5.132
2 H2 ACE 1 H2 ACE 1 -1.774 -22.826 4.927
3 H3 ACE 1 H3 ACE 1 -2.168 -24.018 6.166
4 HA PRO 2 HA PRO 2 0.071 -22.120 9.410
5 HB2 PRO 2 HB2 PRO 2 2.210 -24.033 9.660
6 HB3 PRO 2 HB3 PRO 2 0.770 -23.863 10.675
7 HG2 PRO 2 HG2 PRO 2 1.314 -25.755 8.519
8 HG3 PRO 2 HG3 PRO 2 0.112 -25.833 9.815
9 HD2 PRO 2 HD2 PRO 2 -0.540 -25.391 7.191
10 HD3 PRO 2 HD3 PRO 2 -1.512 -24.781 8.550
11 HA PRO 3 HA PRO 3 4.665 -22.064 7.497
12 HB2 PRO 3 HB2 PRO 3 4.167 -22.525 4.697
13 HB3 PRO 3 HB3 PRO 3 5.191 -23.461 5.796
14 HG2 PRO 3 HG2 PRO 3 2.483 -24.012 4.851
15 HG3 PRO 3 HG3 PRO 3 3.674 -25.106 5.569
16 HD2 PRO 3 HD2 PRO 3 1.406 -24.299 6.875
17 HD3 PRO 3 HD3 PRO 3 2.906 -24.745 7.718
18 H THR 4 H THR 4 4.163 -19.875 7.992
19 HA THR 4 HA THR 4 3.692 -18.223 5.619
20 HB THR 4 HB THR 4 2.077 -16.801 6.878
21 HG21 THR 4 HG21 THR 4 0.229 -18.119 6.337
22 HG22 THR 4 HG22 THR 4 0.996 -19.601 6.906
23 HG23 THR 4 HG23 THR 4 1.496 -18.881 5.376
24 H THR 5 H THR 5 4.607 -16.164 5.744
25 HA THR 5 HA THR 5 6.520 -15.823 7.965
26 HB THR 5 HB THR 5 7.773 -14.376 6.422
27 HG21 THR 5 HG21 THR 5 7.216 -16.685 4.656
28 HG22 THR 5 HG22 THR 5 7.615 -17.095 6.323
29 HG23 THR 5 HG23 THR 5 8.743 -16.145 5.356
30 H THR 6 H THR 6 6.583 -13.956 9.150
31 HA THR 6 HA THR 6 4.296 -12.128 8.785
32 HB THR 6 HB THR 6 4.523 -11.585 11.122
33 HG21 THR 6 HG21 THR 6 5.049 -14.545 11.084
34 HG22 THR 6 HG22 THR 6 3.586 -13.903 10.335
35 HG23 THR 6 HG23 THR 6 3.887 -13.637 12.053
36 H THR 7 H THR 7 4.582 -9.946 8.578
37 HA THR 7 HA THR 7 7.336 -9.059 8.033
38 HB THR 7 HB THR 7 6.333 -7.244 6.776
39 HG21 THR 7 HG21 THR 7 5.545 -8.502 4.988
40 HG22 THR 7 HG22 THR 7 4.603 -9.573 6.025
41 HG23 THR 7 HG23 THR 7 6.355 -9.752 5.933
42 H LYS 8 H LYS 8 7.704 -6.665 8.563
43 HA LYS 8 HA LYS 8 6.309 -5.634 10.877
44 HB2 LYS 8 HB2 LYS 8 7.687 -7.132 12.102
45 HB3 LYS 8 HB3 LYS 8 9.098 -6.763 11.110
46 HG2 LYS 8 HG2 LYS 8 9.468 -4.726 12.147
47 HG3 LYS 8 HG3 LYS 8 7.770 -4.516 12.574
48 HD2 LYS 8 HD2 LYS 8 7.923 -6.076 14.371
49 HD3 LYS 8 HD3 LYS 8 9.486 -6.675 13.813
50 HE2 LYS 8 HE2 LYS 8 9.270 -4.867 15.791
51 HE3 LYS 8 HE3 LYS 8 10.639 -4.886 14.679
52 HZ1 LYS 8 HZ1 LYS 8 8.190 -3.365 14.050
53 HZ2 LYS 8 HZ2 LYS 8 9.760 -3.157 13.435
54 HZ3 LYS 8 HZ3 LYS 8 9.401 -2.696 15.031
55 H LYS 9 H LYS 9 6.116 -3.565 10.315
56 HA LYS 9 HA LYS 9 6.635 -1.685 8.942
57 HB2 LYS 9 HB2 LYS 9 7.070 -1.368 11.456
58 HB3 LYS 9 HB3 LYS 9 8.781 -1.516 11.051
59 HG2 LYS 9 HG2 LYS 9 8.563 0.762 10.799
60 HG3 LYS 9 HG3 LYS 9 8.082 0.268 9.175
61 HD2 LYS 9 HD2 LYS 9 5.684 0.137 10.143
62 HD3 LYS 9 HD3 LYS 9 6.324 1.087 11.485
63 HE2 LYS 9 HE2 LYS 9 6.375 1.861 8.553
64 HE3 LYS 9 HE3 LYS 9 5.377 2.592 9.811
65 HZ1 LYS 9 HZ1 LYS 9 8.040 3.186 9.109
66 HZ2 LYS 9 HZ2 LYS 9 8.002 2.639 10.717
67 HZ3 LYS 9 HZ3 LYS 9 7.044 3.960 10.242
68 HA PRO 10 HA PRO 10 10.357 -3.414 6.802
69 HB2 PRO 10 HB2 PRO 10 8.871 -3.320 4.334
70 HB3 PRO 10 HB3 PRO 10 9.453 -4.744 5.209
71 HG2 PRO 10 HG2 PRO 10 6.806 -4.017 4.901
72 HG3 PRO 10 HG3 PRO 10 7.433 -5.137 6.118
73 HD2 PRO 10 HD2 PRO 10 6.601 -2.291 6.431
74 HD3 PRO 10 HD3 PRO 10 6.550 -3.622 7.610
75 HN1 NH2 11 HN1 NH2 11 10.418 0.113 6.657
76 HN2 NH2 11 HN2 NH2 11 8.757 -0.218 6.546
77 H1 A2G 101 H1 A2G 12 2.687 -16.155 8.940
78 H2 A2G 101 H2 A2G 12 1.915 -16.243 11.271
79 HN2 A2G 101 HN2 A2G 12 3.559 -18.607 10.577
80 H3 A2G 101 H3 A2G 12 1.033 -19.067 10.613
81 HO3 A2G 101 HO3 A2G 12 0.051 -18.039 12.859
82 H4 A2G 101 H4 A2G 12 -1.239 -18.244 10.864
83 HO4 A2G 101 HO4 A2G 12 -0.742 -16.598 12.375
84 H5 A2G 101 H5 A2G 12 -0.272 -18.064 8.615
85 H6 A2G 101 H6 A2G 12 -1.577 -15.423 8.735
86 H8 A2G 101 H8 A2G 12 5.340 -18.584 12.957
87 H8A A2G 101 H8A A2G 12 6.254 -17.219 12.312
88 H8B A2G 101 H8B A2G 12 5.726 -18.514 11.236
89 H14 A2G 101 H14 A2G 12 -2.042 -16.865 7.833
90 H15 A2G 101 H15 A2G 12 -3.583 -16.666 9.346
91 H1 A2G 102 H1 A2G 13 6.505 -12.555 5.671
92 H2 A2G 102 H2 A2G 13 6.084 -11.498 3.491
93 HN2 A2G 102 HN2 A2G 13 4.038 -13.541 4.129
94 H3 A2G 102 H3 A2G 13 5.803 -14.328 2.448
95 HO3 A2G 102 HO3 A2G 13 5.809 -11.816 1.136
96 H4 A2G 102 H4 A2G 13 7.860 -13.924 1.225
97 HO4 A2G 102 HO4 A2G 13 8.916 -11.989 1.366
98 H5 A2G 102 H5 A2G 13 8.157 -14.801 3.495
99 H6 A2G 102 H6 A2G 13 10.281 -12.763 3.567
100 H8 A2G 102 H8 A2G 13 1.576 -11.806 3.604
101 H8A A2G 102 H8A A2G 13 1.886 -11.054 5.168
102 H8B A2G 102 H8B A2G 13 2.124 -12.789 4.961
103 H14 A2G 102 H14 A2G 13 10.412 -14.516 3.431
104 H15 A2G 102 H15 A2G 13 10.198 -14.393 1.286
105 H1 A2G 103 H1 A2G 14 6.499 -10.423 11.406
106 H2 A2G 103 H2 A2G 14 8.395 -10.410 12.971
107 HN2 A2G 103 HN2 A2G 14 8.882 -12.219 10.678
108 H3 A2G 103 H3 A2G 14 8.214 -13.432 12.834
109 HO3 A2G 103 HO3 A2G 14 9.986 -11.561 13.906
110 H4 A2G 103 H4 A2G 14 7.479 -13.344 15.144
111 HO4 A2G 103 HO4 A2G 14 7.791 -11.625 16.280
112 H5 A2G 103 H5 A2G 14 5.688 -13.172 13.479
113 H6 A2G 103 H6 A2G 14 4.676 -11.082 15.256
114 H8 A2G 103 H8 A2G 14 11.671 -11.089 9.941
115 H8A A2G 103 H8A A2G 14 10.765 -9.807 9.138
116 H8B A2G 103 H8B A2G 14 10.185 -11.472 9.071
117 H14 A2G 103 H14 A2G 14 4.157 -12.761 15.097
118 H15 A2G 103 H15 A2G 14 6.094 -11.631 16.762
119 H1 A2G 104 H1 A2G 15 5.182 -5.855 8.244
120 H2 A2G 104 H2 A2G 15 3.005 -4.713 8.298
121 HN2 A2G 104 HN2 A2G 15 2.867 -7.395 9.550
122 H3 A2G 104 H3 A2G 15 1.895 -7.302 7.181
123 HO3 A2G 104 HO3 A2G 15 0.498 -6.170 8.549
124 H4 A2G 104 H4 A2G 15 1.471 -6.065 5.137
125 HO4 A2G 104 HO4 A2G 15 1.123 -4.028 5.772
126 H5 A2G 104 H5 A2G 15 3.691 -7.092 5.285
127 H6 A2G 104 H6 A2G 15 4.474 -4.456 4.197
128 H8 A2G 104 H8 A2G 15 1.502 -6.582 12.115
129 H8A A2G 104 H8A A2G 15 3.033 -5.920 12.688
130 H8B A2G 104 H8B A2G 15 3.010 -7.435 11.785
131 H14 A2G 104 H14 A2G 15 4.471 -6.037 3.417
132 H15 A2G 104 H15 A2G 15 2.877 -4.415 2.678
Start of MODEL 4
1 H1 ACE 1 H1 ACE 1 -3.291 -23.524 7.066
2 H2 ACE 1 H2 ACE 1 -3.177 -24.520 8.516
3 H3 ACE 1 H3 ACE 1 -3.235 -25.281 6.926
4 HA PRO 2 HA PRO 2 1.091 -25.451 6.293
5 HB2 PRO 2 HB2 PRO 2 1.331 -23.436 4.247
6 HB3 PRO 2 HB3 PRO 2 1.322 -25.196 4.055
7 HG2 PRO 2 HG2 PRO 2 -0.827 -23.266 3.626
8 HG3 PRO 2 HG3 PRO 2 -0.665 -24.927 3.037
9 HD2 PRO 2 HD2 PRO 2 -2.467 -24.192 4.965
10 HD3 PRO 2 HD3 PRO 2 -1.763 -25.822 4.862
11 HA PRO 3 HA PRO 3 3.307 -22.491 8.648
12 HB2 PRO 3 HB2 PRO 3 5.285 -21.820 6.663
13 HB3 PRO 3 HB3 PRO 3 5.455 -22.895 8.059
14 HG2 PRO 3 HG2 PRO 3 5.006 -23.550 5.248
15 HG3 PRO 3 HG3 PRO 3 5.610 -24.568 6.564
16 HD2 PRO 3 HD2 PRO 3 3.129 -24.884 5.446
17 HD3 PRO 3 HD3 PRO 3 3.499 -25.318 7.130
18 H THR 4 H THR 4 3.912 -20.190 8.755
19 HA THR 4 HA THR 4 2.888 -18.505 6.583
20 HB THR 4 HB THR 4 1.489 -17.198 8.090
21 HG21 THR 4 HG21 THR 4 -0.295 -18.718 8.283
22 HG22 THR 4 HG22 THR 4 0.776 -20.069 8.658
23 HG23 THR 4 HG23 THR 4 0.698 -19.436 7.014
24 H THR 5 H THR 5 3.954 -16.589 6.382
25 HA THR 5 HA THR 5 6.166 -16.123 8.279
26 HB THR 5 HB THR 5 7.269 -14.926 6.475
27 HG21 THR 5 HG21 THR 5 6.933 -17.602 6.545
28 HG22 THR 5 HG22 THR 5 7.880 -16.797 5.294
29 HG23 THR 5 HG23 THR 5 6.210 -17.265 4.972
30 H THR 6 H THR 6 6.778 -13.778 8.533
31 HA THR 6 HA THR 6 4.426 -12.000 8.484
32 HB THR 6 HB THR 6 4.787 -11.293 10.742
33 HG21 THR 6 HG21 THR 6 5.248 -14.249 10.997
34 HG22 THR 6 HG22 THR 6 3.776 -13.669 10.219
35 HG23 THR 6 HG23 THR 6 4.129 -13.216 11.887
36 H THR 7 H THR 7 5.043 -9.697 8.831
37 HA THR 7 HA THR 7 7.817 -9.091 8.055
38 HB THR 7 HB THR 7 7.098 -7.583 6.300
39 HG21 THR 7 HG21 THR 7 6.532 -9.183 4.702
40 HG22 THR 7 HG22 THR 7 5.433 -10.028 5.791
41 HG23 THR 7 HG23 THR 7 7.176 -10.199 5.990
42 H LYS 8 H LYS 8 8.187 -6.652 8.162
43 HA LYS 8 HA LYS 8 6.454 -5.155 9.927
44 HB2 LYS 8 HB2 LYS 8 7.789 -6.674 11.456
45 HB3 LYS 8 HB3 LYS 8 9.232 -5.809 10.923
46 HG2 LYS 8 HG2 LYS 8 8.211 -3.676 11.672
47 HG3 LYS 8 HG3 LYS 8 6.804 -4.568 12.252
48 HD2 LYS 8 HD2 LYS 8 8.863 -5.951 13.430
49 HD3 LYS 8 HD3 LYS 8 9.481 -4.300 13.452
50 HE2 LYS 8 HE2 LYS 8 6.827 -5.250 14.564
51 HE3 LYS 8 HE3 LYS 8 8.212 -4.673 15.490
52 HZ1 LYS 8 HZ1 LYS 8 6.470 -3.125 13.665
53 HZ2 LYS 8 HZ2 LYS 8 7.976 -2.545 14.198
54 HZ3 LYS 8 HZ3 LYS 8 6.742 -2.867 15.319
55 H LYS 9 H LYS 9 6.514 -3.149 9.167
56 HA LYS 9 HA LYS 9 8.411 -2.236 7.282
57 HB2 LYS 9 HB2 LYS 9 7.292 0.050 8.398
58 HB3 LYS 9 HB3 LYS 9 6.663 -0.845 7.015
59 HG2 LYS 9 HG2 LYS 9 5.218 -2.159 8.418
60 HG3 LYS 9 HG3 LYS 9 5.982 -1.540 9.882
61 HD2 LYS 9 HD2 LYS 9 5.119 0.680 9.479
62 HD3 LYS 9 HD3 LYS 9 4.524 0.211 7.886
63 HE2 LYS 9 HE2 LYS 9 2.835 -1.181 8.804
64 HE3 LYS 9 HE3 LYS 9 3.587 -1.175 10.399
65 HZ1 LYS 9 HZ1 LYS 9 3.182 1.304 10.372
66 HZ2 LYS 9 HZ2 LYS 9 1.807 0.318 10.537
67 HZ3 LYS 9 HZ3 LYS 9 2.166 1.036 9.039
68 HA PRO 10 HA PRO 10 11.941 -0.704 9.338
69 HB2 PRO 10 HB2 PRO 10 11.553 2.086 8.732
70 HB3 PRO 10 HB3 PRO 10 12.646 0.936 7.946
71 HG2 PRO 10 HG2 PRO 10 10.033 1.908 7.080
72 HG3 PRO 10 HG3 PRO 10 11.316 1.129 6.144
73 HD2 PRO 10 HD2 PRO 10 8.948 -0.106 6.752
74 HD3 PRO 10 HD3 PRO 10 10.468 -0.991 6.496
75 HN1 NH2 11 HN1 NH2 11 9.017 0.908 11.481
76 HN2 NH2 11 HN2 NH2 11 9.217 1.757 10.025
77 H1 A2G 101 H1 A2G 12 2.596 -16.267 9.805
78 H2 A2G 101 H2 A2G 12 2.528 -16.097 12.257
79 HN2 A2G 101 HN2 A2G 12 4.107 -18.436 11.360
80 H3 A2G 101 H3 A2G 12 1.754 -19.026 12.195
81 HO3 A2G 101 HO3 A2G 12 1.426 -18.479 14.476
82 H4 A2G 101 H4 A2G 12 -0.425 -18.314 12.992
83 HO4 A2G 101 HO4 A2G 12 0.396 -16.455 14.109
84 H5 A2G 101 H5 A2G 12 -0.170 -18.341 10.555
85 H6 A2G 101 H6 A2G 12 -1.630 -15.806 11.347
86 H8 A2G 101 H8 A2G 12 6.468 -18.180 12.864
87 H8A A2G 101 H8A A2G 12 7.052 -16.649 12.210
88 H8B A2G 101 H8B A2G 12 6.413 -17.885 11.126
89 H14 A2G 101 H14 A2G 12 -1.985 -16.863 9.981
90 H15 A2G 101 H15 A2G 12 -2.093 -17.651 12.701
91 H1 A2G 102 H1 A2G 13 6.127 -13.041 5.848
92 H2 A2G 102 H2 A2G 13 5.352 -11.966 3.779
93 HN2 A2G 102 HN2 A2G 13 3.309 -13.794 4.901
94 H3 A2G 102 H3 A2G 13 4.598 -14.767 2.901
95 HO3 A2G 102 HO3 A2G 13 3.257 -13.496 1.855
96 H4 A2G 102 H4 A2G 13 6.369 -14.553 1.250
97 HO4 A2G 102 HO4 A2G 13 6.074 -12.043 1.604
98 H5 A2G 102 H5 A2G 13 7.035 -15.459 3.432
99 H6 A2G 102 H6 A2G 13 9.356 -13.717 3.068
100 H8 A2G 102 H8 A2G 13 0.954 -11.841 4.852
101 H8A A2G 102 H8A A2G 13 1.668 -11.091 6.279
102 H8B A2G 102 H8B A2G 13 1.698 -12.845 6.096
103 H14 A2G 102 H14 A2G 13 9.215 -15.457 2.815
104 H15 A2G 102 H15 A2G 13 8.896 -15.133 0.772
105 H1 A2G 103 H1 A2G 14 6.821 -10.168 10.804
106 H2 A2G 103 H2 A2G 14 8.774 -10.071 12.293
107 HN2 A2G 103 HN2 A2G 14 9.112 -12.119 10.182
108 H3 A2G 103 H3 A2G 14 8.475 -13.080 12.477
109 HO3 A2G 103 HO3 A2G 14 10.104 -12.572 14.177
110 H4 A2G 103 H4 A2G 14 7.850 -12.716 14.797
111 HO4 A2G 103 HO4 A2G 14 8.224 -10.881 15.719
112 H5 A2G 103 H5 A2G 14 6.014 -12.674 13.167
113 H6 A2G 103 H6 A2G 14 5.394 -10.357 14.968
114 H8 A2G 103 H8 A2G 14 11.636 -11.573 9.174
115 H8A A2G 103 H8A A2G 14 11.409 -9.930 8.573
116 H8B A2G 103 H8B A2G 14 10.193 -11.165 8.245
117 H14 A2G 103 H14 A2G 14 4.417 -11.778 14.603
118 H15 A2G 103 H15 A2G 14 6.297 -12.902 15.719
119 H1 A2G 104 H1 A2G 15 5.781 -5.915 7.243
120 H2 A2G 104 H2 A2G 15 3.671 -4.775 6.709
121 HN2 A2G 104 HN2 A2G 15 3.224 -7.145 8.427
122 H3 A2G 104 H3 A2G 15 2.662 -7.530 5.953
123 HO3 A2G 104 HO3 A2G 15 1.523 -4.936 5.934
124 H4 A2G 104 H4 A2G 15 2.610 -6.709 3.667
125 HO4 A2G 104 HO4 A2G 15 2.235 -4.533 4.095
126 H5 A2G 104 H5 A2G 15 4.721 -7.726 4.398
127 H6 A2G 104 H6 A2G 15 5.441 -5.244 2.831
128 H8 A2G 104 H8 A2G 15 1.646 -6.207 10.458
129 H8A A2G 104 H8A A2G 15 2.634 -4.918 11.147
130 H8B A2G 104 H8B A2G 15 3.359 -6.482 10.776
131 H14 A2G 104 H14 A2G 15 6.113 -6.866 2.673
132 H15 A2G 104 H15 A2G 15 4.470 -7.450 1.490
Start of MODEL 5
1 H1 ACE 1 H1 ACE 1 -3.287 -21.297 9.350
2 H2 ACE 1 H2 ACE 1 -3.536 -22.404 7.999
3 H3 ACE 1 H3 ACE 1 -3.061 -20.733 7.695
4 HA PRO 2 HA PRO 2 0.550 -23.962 7.861
5 HB2 PRO 2 HB2 PRO 2 1.438 -22.708 5.425
6 HB3 PRO 2 HB3 PRO 2 0.901 -24.378 5.664
7 HG2 PRO 2 HG2 PRO 2 -0.553 -22.096 4.565
8 HG3 PRO 2 HG3 PRO 2 -0.886 -23.828 4.416
9 HD2 PRO 2 HD2 PRO 2 -2.427 -22.131 5.916
10 HD3 PRO 2 HD3 PRO 2 -2.248 -23.862 6.283
11 HA PRO 3 HA PRO 3 3.501 -21.252 9.642
12 HB2 PRO 3 HB2 PRO 3 5.636 -21.717 7.764
13 HB3 PRO 3 HB3 PRO 3 5.440 -22.392 9.388
14 HG2 PRO 3 HG2 PRO 3 4.882 -23.603 6.790
15 HG3 PRO 3 HG3 PRO 3 5.117 -24.370 8.368
16 HD2 PRO 3 HD2 PRO 3 2.685 -24.243 7.113
17 HD3 PRO 3 HD3 PRO 3 2.865 -24.309 8.881
18 H THR 4 H THR 4 2.831 -19.171 9.307
19 HA THR 4 HA THR 4 3.213 -17.937 6.674
20 HB THR 4 HB THR 4 1.911 -16.063 7.624
21 HG21 THR 4 HG21 THR 4 0.362 -18.468 8.462
22 HG22 THR 4 HG22 THR 4 0.945 -18.424 6.797
23 HG23 THR 4 HG23 THR 4 -0.110 -17.144 7.397
24 H THR 5 H THR 5 4.045 -15.638 6.701
25 HA THR 5 HA THR 5 6.169 -15.262 8.714
26 HB THR 5 HB THR 5 7.725 -14.580 6.927
27 HG21 THR 5 HG21 THR 5 7.011 -17.149 7.621
28 HG22 THR 5 HG22 THR 5 8.410 -16.724 6.635
29 HG23 THR 5 HG23 THR 5 6.894 -17.192 5.862
30 H THR 6 H THR 6 6.557 -13.163 9.300
31 HA THR 6 HA THR 6 4.682 -11.164 8.211
32 HB THR 6 HB THR 6 5.073 -9.937 10.309
33 HG21 THR 6 HG21 THR 6 3.625 -11.243 11.506
34 HG22 THR 6 HG22 THR 6 4.619 -12.689 11.322
35 HG23 THR 6 HG23 THR 6 3.565 -12.169 10.006
36 H THR 7 H THR 7 5.413 -9.461 7.097
37 HA THR 7 HA THR 7 8.327 -9.134 6.836
38 HB THR 7 HB THR 7 7.831 -7.928 4.775
39 HG21 THR 7 HG21 THR 7 7.757 -10.509 4.921
40 HG22 THR 7 HG22 THR 7 7.049 -9.755 3.492
41 HG23 THR 7 HG23 THR 7 6.007 -10.330 4.794
42 H LYS 8 H LYS 8 9.192 -7.653 8.137
43 HA LYS 8 HA LYS 8 9.369 -5.804 9.516
44 HB2 LYS 8 HB2 LYS 8 8.106 -4.551 7.065
45 HB3 LYS 8 HB3 LYS 8 8.999 -3.688 8.318
46 HG2 LYS 8 HG2 LYS 8 10.929 -4.162 7.267
47 HG3 LYS 8 HG3 LYS 8 10.608 -5.886 7.463
48 HD2 LYS 8 HD2 LYS 8 9.271 -5.886 5.398
49 HD3 LYS 8 HD3 LYS 8 9.557 -4.157 5.204
50 HE2 LYS 8 HE2 LYS 8 11.734 -6.265 5.289
51 HE3 LYS 8 HE3 LYS 8 11.103 -5.532 3.815
52 HZ1 LYS 8 HZ1 LYS 8 11.666 -3.356 5.198
53 HZ2 LYS 8 HZ2 LYS 8 12.802 -4.117 4.189
54 HZ3 LYS 8 HZ3 LYS 8 12.830 -4.394 5.865
55 H LYS 9 H LYS 9 7.994 -6.153 11.229
56 HA LYS 9 HA LYS 9 5.181 -5.927 11.146
57 HB2 LYS 9 HB2 LYS 9 5.865 -5.285 13.741
58 HB3 LYS 9 HB3 LYS 9 5.634 -6.919 13.119
59 HG2 LYS 9 HG2 LYS 9 7.969 -7.199 12.708
60 HG3 LYS 9 HG3 LYS 9 8.287 -5.480 12.940
61 HD2 LYS 9 HD2 LYS 9 7.753 -5.638 15.300
62 HD3 LYS 9 HD3 LYS 9 7.232 -7.313 15.110
63 HE2 LYS 9 HE2 LYS 9 9.499 -7.259 16.029
64 HE3 LYS 9 HE3 LYS 9 9.538 -7.918 14.393
65 HZ1 LYS 9 HZ1 LYS 9 9.770 -5.155 14.183
66 HZ2 LYS 9 HZ2 LYS 9 10.954 -6.328 13.849
67 HZ3 LYS 9 HZ3 LYS 9 10.846 -5.640 15.399
68 HA PRO 10 HA PRO 10 4.022 -1.719 11.100
69 HB2 PRO 10 HB2 PRO 10 2.869 -1.623 13.738
70 HB3 PRO 10 HB3 PRO 10 2.034 -1.752 12.183
71 HG2 PRO 10 HG2 PRO 10 2.653 -3.828 14.139
72 HG3 PRO 10 HG3 PRO 10 1.468 -3.831 12.824
73 HD2 PRO 10 HD2 PRO 10 3.755 -5.340 12.782
74 HD3 PRO 10 HD3 PRO 10 2.955 -4.744 11.310
75 HN1 NH2 11 HN1 NH2 11 5.473 -0.688 14.729
76 HN2 NH2 11 HN2 NH2 11 5.077 -2.331 14.574
77 H1 A2G 101 H1 A2G 12 2.808 -15.057 9.468
78 H2 A2G 101 H2 A2G 12 2.126 -14.444 11.748
79 HN2 A2G 101 HN2 A2G 12 3.331 -17.147 11.649
80 H3 A2G 101 H3 A2G 12 0.762 -17.150 11.801
81 HO3 A2G 101 HO3 A2G 12 0.783 -16.817 13.854
82 H4 A2G 101 H4 A2G 12 -1.331 -15.917 11.839
83 HO4 A2G 101 HO4 A2G 12 -1.286 -13.655 11.622
84 H5 A2G 101 H5 A2G 12 -0.438 -16.455 9.616
85 H6 A2G 101 H6 A2G 12 -1.289 -13.669 9.111
86 H8 A2G 101 H8 A2G 12 5.265 -16.769 13.986
87 H8A A2G 101 H8A A2G 12 6.301 -15.882 12.868
88 H8B A2G 101 H8B A2G 12 5.440 -17.320 12.320
89 H14 A2G 101 H14 A2G 12 -1.994 -15.181 8.538
90 H15 A2G 101 H15 A2G 12 -2.688 -13.645 10.656
91 H1 A2G 102 H1 A2G 13 6.798 -12.908 5.539
92 H2 A2G 102 H2 A2G 13 6.681 -12.551 3.112
93 HN2 A2G 102 HN2 A2G 13 4.297 -13.983 4.128
94 H3 A2G 102 H3 A2G 13 6.000 -15.499 2.949
95 HO3 A2G 102 HO3 A2G 13 6.602 -13.678 0.879
96 H4 A2G 102 H4 A2G 13 8.166 -15.791 1.894
97 HO4 A2G 102 HO4 A2G 13 8.072 -13.510 1.103
98 H5 A2G 102 H5 A2G 13 8.170 -15.940 4.342
99 H6 A2G 102 H6 A2G 13 10.569 -14.287 3.512
100 H8 A2G 102 H8 A2G 13 2.187 -12.576 2.990
101 H8A A2G 102 H8A A2G 13 2.441 -10.980 3.698
102 H8B A2G 102 H8B A2G 13 2.557 -12.422 4.707
103 H14 A2G 102 H14 A2G 13 10.508 -15.579 4.711
104 H15 A2G 102 H15 A2G 13 10.072 -15.859 1.923
105 H1 A2G 103 H1 A2G 14 7.302 -9.375 10.667
106 H2 A2G 103 H2 A2G 14 8.901 -9.543 12.526
107 HN2 A2G 103 HN2 A2G 14 9.028 -11.905 10.743
108 H3 A2G 103 H3 A2G 14 7.761 -12.320 12.938
109 HO3 A2G 103 HO3 A2G 14 9.141 -11.659 14.965
110 H4 A2G 103 H4 A2G 14 6.828 -11.470 15.010
111 HO4 A2G 103 HO4 A2G 14 8.209 -9.141 14.231
112 H5 A2G 103 H5 A2G 14 5.402 -11.189 13.035
113 H6 A2G 103 H6 A2G 14 5.391 -8.727 14.813
114 H8 A2G 103 H8 A2G 14 11.709 -12.217 10.268
115 H8A A2G 103 H8A A2G 14 12.144 -10.678 9.523
116 H8B A2G 103 H8B A2G 14 10.695 -11.534 8.998
117 H14 A2G 103 H14 A2G 14 4.043 -9.273 13.814
118 H15 A2G 103 H15 A2G 14 3.884 -11.108 15.044
119 H1 A2G 104 H1 A2G 15 6.723 -6.022 5.109
120 H2 A2G 104 H2 A2G 15 4.704 -4.807 4.404
121 HN2 A2G 104 HN2 A2G 15 4.161 -6.591 6.705
122 H3 A2G 104 H3 A2G 15 3.351 -7.519 4.458
123 HO3 A2G 104 HO3 A2G 15 2.487 -4.915 3.745
124 H4 A2G 104 H4 A2G 15 3.206 -7.329 2.043
125 HO4 A2G 104 HO4 A2G 15 4.785 -5.365 1.437
126 H5 A2G 104 H5 A2G 15 5.270 -8.353 2.881
127 H6 A2G 104 H6 A2G 15 6.453 -6.599 0.821
128 H8 A2G 104 H8 A2G 15 2.708 -4.591 8.419
129 H8A A2G 104 H8A A2G 15 4.253 -3.852 8.842
130 H8B A2G 104 H8B A2G 15 4.119 -5.606 8.723
131 H14 A2G 104 H14 A2G 15 6.264 -8.353 0.830
132 H15 A2G 104 H15 A2G 15 4.111 -6.555 0.467
Start of MODEL 6
1 H1 ACE 1 H1 ACE 1 -3.474 -22.786 5.127
2 H2 ACE 1 H2 ACE 1 -2.716 -23.686 3.813
3 H3 ACE 1 H3 ACE 1 -2.562 -21.931 3.883
4 HA PRO 2 HA PRO 2 1.075 -24.460 5.857
5 HB2 PRO 2 HB2 PRO 2 2.779 -22.715 4.325
6 HB3 PRO 2 HB3 PRO 2 2.599 -24.471 4.184
7 HG2 PRO 2 HG2 PRO 2 1.444 -22.344 2.550
8 HG3 PRO 2 HG3 PRO 2 1.646 -24.064 2.188
9 HD2 PRO 2 HD2 PRO 2 -0.791 -22.915 2.674
10 HD3 PRO 2 HD3 PRO 2 -0.434 -24.621 3.024
11 HA PRO 3 HA PRO 3 1.956 -21.569 9.033
12 HB2 PRO 3 HB2 PRO 3 4.795 -21.359 8.588
13 HB3 PRO 3 HB3 PRO 3 3.947 -22.295 9.829
14 HG2 PRO 3 HG2 PRO 3 5.113 -23.179 7.302
15 HG3 PRO 3 HG3 PRO 3 4.666 -24.121 8.732
16 HD2 PRO 3 HD2 PRO 3 3.285 -24.241 6.369
17 HD3 PRO 3 HD3 PRO 3 2.532 -24.540 7.952
18 H THR 4 H THR 4 2.030 -19.364 9.270
19 HA THR 4 HA THR 4 2.508 -17.800 6.834
20 HB THR 4 HB THR 4 1.318 -16.007 7.987
21 HG21 THR 4 HG21 THR 4 -0.640 -16.985 7.453
22 HG22 THR 4 HG22 THR 4 -0.516 -18.091 8.820
23 HG23 THR 4 HG23 THR 4 0.237 -18.505 7.279
24 H THR 5 H THR 5 3.566 -15.643 7.118
25 HA THR 5 HA THR 5 5.674 -15.682 9.181
26 HB THR 5 HB THR 5 7.328 -14.976 7.500
27 HG21 THR 5 HG21 THR 5 6.195 -17.369 6.179
28 HG22 THR 5 HG22 THR 5 6.419 -17.509 7.923
29 HG23 THR 5 HG23 THR 5 7.792 -17.124 6.885
30 H THR 6 H THR 6 6.424 -13.647 9.830
31 HA THR 6 HA THR 6 4.636 -11.420 9.097
32 HB THR 6 HB THR 6 5.207 -10.434 11.221
33 HG21 THR 6 HG21 THR 6 5.037 -13.106 12.335
34 HG22 THR 6 HG22 THR 6 3.961 -12.938 10.948
35 HG23 THR 6 HG23 THR 6 3.818 -11.832 12.314
36 H THR 7 H THR 7 5.409 -9.590 8.191
37 HA THR 7 HA THR 7 8.271 -9.549 7.500
38 HB THR 7 HB THR 7 7.365 -7.631 5.950
39 HG21 THR 7 HG21 THR 7 6.658 -10.544 5.494
40 HG22 THR 7 HG22 THR 7 8.228 -9.810 5.167
41 HG23 THR 7 HG23 THR 7 6.813 -9.316 4.237
42 H LYS 8 H LYS 8 9.272 -7.334 7.389
43 HA LYS 8 HA LYS 8 8.916 -6.027 9.946
44 HB2 LYS 8 HB2 LYS 8 10.852 -5.765 7.666
45 HB3 LYS 8 HB3 LYS 8 10.770 -4.513 8.906
46 HG2 LYS 8 HG2 LYS 8 11.161 -6.193 10.656
47 HG3 LYS 8 HG3 LYS 8 11.203 -7.468 9.436
48 HD2 LYS 8 HD2 LYS 8 13.014 -5.266 8.797
49 HD3 LYS 8 HD3 LYS 8 13.396 -6.020 10.345
50 HE2 LYS 8 HE2 LYS 8 14.541 -7.106 8.387
51 HE3 LYS 8 HE3 LYS 8 13.526 -8.209 9.316
52 HZ1 LYS 8 HZ1 LYS 8 13.340 -8.126 6.743
53 HZ2 LYS 8 HZ2 LYS 8 12.370 -6.763 7.034
54 HZ3 LYS 8 HZ3 LYS 8 11.938 -8.271 7.685
55 H LYS 9 H LYS 9 6.863 -5.069 9.811
56 HA LYS 9 HA LYS 9 5.990 -3.410 7.699
57 HB2 LYS 9 HB2 LYS 9 4.736 -2.444 9.982
58 HB3 LYS 9 HB3 LYS 9 4.142 -3.737 8.939
59 HG2 LYS 9 HG2 LYS 9 5.172 -5.426 10.303
60 HG3 LYS 9 HG3 LYS 9 6.060 -4.216 11.232
61 HD2 LYS 9 HD2 LYS 9 3.904 -3.295 12.055
62 HD3 LYS 9 HD3 LYS 9 3.047 -4.563 11.177
63 HE2 LYS 9 HE2 LYS 9 3.226 -5.500 13.310
64 HE3 LYS 9 HE3 LYS 9 4.639 -6.178 12.500
65 HZ1 LYS 9 HZ1 LYS 9 5.290 -3.658 13.569
66 HZ2 LYS 9 HZ2 LYS 9 5.947 -5.176 13.953
67 HZ3 LYS 9 HZ3 LYS 9 4.583 -4.601 14.788
68 HA PRO 10 HA PRO 10 7.956 0.478 7.944
69 HB2 PRO 10 HB2 PRO 10 5.649 2.023 8.711
70 HB3 PRO 10 HB3 PRO 10 6.383 1.877 7.108
71 HG2 PRO 10 HG2 PRO 10 4.021 0.553 8.198
72 HG3 PRO 10 HG3 PRO 10 4.517 0.772 6.515
73 HD2 PRO 10 HD2 PRO 10 4.573 -1.652 7.789
74 HD3 PRO 10 HD3 PRO 10 5.673 -1.227 6.458
75 HN1 NH2 11 HN1 NH2 11 8.863 2.006 9.885
76 HN2 NH2 11 HN2 NH2 11 7.581 2.486 10.890
77 H1 A2G 101 H1 A2G 12 2.532 -15.311 9.817
78 H2 A2G 101 H2 A2G 12 2.139 -14.802 12.189
79 HN2 A2G 101 HN2 A2G 12 2.879 -17.641 11.778
80 H3 A2G 101 H3 A2G 12 0.364 -17.259 12.164
81 HO3 A2G 101 HO3 A2G 12 0.070 -16.767 14.285
82 H4 A2G 101 H4 A2G 12 -1.492 -15.724 12.485
83 HO4 A2G 101 HO4 A2G 12 0.218 -14.134 13.419
84 H5 A2G 101 H5 A2G 12 -0.875 -16.196 10.156
85 H6 A2G 101 H6 A2G 12 -1.377 -13.223 10.299
86 H8 A2G 101 H8 A2G 12 4.869 -18.043 13.694
87 H8A A2G 101 H8A A2G 12 6.080 -16.893 13.128
88 H8B A2G 101 H8B A2G 12 5.251 -17.939 11.975
89 H14 A2G 101 H14 A2G 12 -2.031 -14.393 9.153
90 H15 A2G 101 H15 A2G 12 -3.637 -14.596 10.458
91 H1 A2G 102 H1 A2G 13 6.607 -13.073 6.320
92 H2 A2G 102 H2 A2G 13 6.562 -12.409 3.954
93 HN2 A2G 102 HN2 A2G 13 4.028 -13.709 4.770
94 H3 A2G 102 H3 A2G 13 5.600 -15.237 3.436
95 HO3 A2G 102 HO3 A2G 13 6.470 -13.519 1.445
96 H4 A2G 102 H4 A2G 13 7.738 -15.591 2.336
97 HO4 A2G 102 HO4 A2G 13 9.059 -13.431 3.190
98 H5 A2G 102 H5 A2G 13 7.677 -16.055 4.746
99 H6 A2G 102 H6 A2G 13 10.255 -14.574 4.204
100 H8 A2G 102 H8 A2G 13 2.132 -12.094 3.754
101 H8A A2G 102 H8A A2G 13 2.434 -10.524 4.498
102 H8B A2G 102 H8B A2G 13 2.394 -11.978 5.495
103 H14 A2G 102 H14 A2G 13 10.021 -16.050 5.140
104 H15 A2G 102 H15 A2G 13 10.754 -16.744 3.217
105 H1 A2G 103 H1 A2G 14 7.448 -9.803 11.151
106 H2 A2G 103 H2 A2G 14 9.388 -9.925 12.654
107 HN2 A2G 103 HN2 A2G 14 9.219 -12.289 10.878
108 H3 A2G 103 H3 A2G 14 8.411 -12.724 13.283
109 HO3 A2G 103 HO3 A2G 14 10.285 -11.538 14.866
110 H4 A2G 103 H4 A2G 14 7.911 -11.878 15.506
111 HO4 A2G 103 HO4 A2G 14 9.567 -9.991 14.831
112 H5 A2G 103 H5 A2G 14 6.116 -11.668 13.844
113 H6 A2G 103 H6 A2G 14 5.877 -9.012 15.117
114 H8 A2G 103 H8 A2G 14 12.059 -12.246 9.810
115 H8A A2G 103 H8A A2G 14 11.608 -10.858 8.820
116 H8B A2G 103 H8B A2G 14 10.475 -12.193 9.037
117 H14 A2G 103 H14 A2G 14 4.808 -10.410 15.227
118 H15 A2G 103 H15 A2G 14 7.339 -10.276 16.486
119 H1 A2G 104 H1 A2G 15 5.739 -6.521 7.197
120 H2 A2G 104 H2 A2G 15 3.385 -5.856 6.963
121 HN2 A2G 104 HN2 A2G 15 3.646 -8.555 8.155
122 H3 A2G 104 H3 A2G 15 3.003 -8.568 5.667
123 HO3 A2G 104 HO3 A2G 15 1.362 -7.032 6.963
124 H4 A2G 104 H4 A2G 15 2.589 -7.346 3.607
125 HO4 A2G 104 HO4 A2G 15 2.319 -5.257 3.594
126 H5 A2G 104 H5 A2G 15 4.930 -7.935 4.057
127 H6 A2G 104 H6 A2G 15 5.147 -5.116 3.079
128 H8 A2G 104 H8 A2G 15 1.869 -8.307 10.413
129 H8A A2G 104 H8A A2G 15 2.874 -7.162 11.301
130 H8B A2G 104 H8B A2G 15 3.616 -8.535 10.480
131 H14 A2G 104 H14 A2G 15 5.834 -6.592 2.401
132 H15 A2G 104 H15 A2G 15 4.149 -6.760 1.191
Start of MODEL 7
1 H1 ACE 1 H1 ACE 1 -1.951 -23.053 3.987
2 H2 ACE 1 H2 ACE 1 -2.647 -24.101 5.223
3 H3 ACE 1 H3 ACE 1 -1.749 -24.801 3.877
4 HA PRO 2 HA PRO 2 2.164 -24.825 5.839
5 HB2 PRO 2 HB2 PRO 2 3.440 -22.721 4.341
6 HB3 PRO 2 HB3 PRO 2 3.623 -24.472 4.146
7 HG2 PRO 2 HG2 PRO 2 2.023 -22.585 2.596
8 HG3 PRO 2 HG3 PRO 2 2.569 -24.215 2.177
9 HD2 PRO 2 HD2 PRO 2 -0.044 -23.609 2.732
10 HD3 PRO 2 HD3 PRO 2 0.665 -25.214 3.022
11 HA PRO 3 HA PRO 3 2.489 -21.905 9.094
12 HB2 PRO 3 HB2 PRO 3 5.214 -21.099 8.618
13 HB3 PRO 3 HB3 PRO 3 4.602 -22.225 9.840
14 HG2 PRO 3 HG2 PRO 3 5.877 -22.777 7.270
15 HG3 PRO 3 HG3 PRO 3 5.662 -23.831 8.675
16 HD2 PRO 3 HD2 PRO 3 4.290 -24.167 6.329
17 HD3 PRO 3 HD3 PRO 3 3.646 -24.661 7.911
18 H THR 4 H THR 4 2.397 -19.669 9.501
19 HA THR 4 HA THR 4 2.240 -18.009 7.089
20 HB THR 4 HB THR 4 1.016 -16.430 8.499
21 HG21 THR 4 HG21 THR 4 -0.197 -18.973 9.414
22 HG22 THR 4 HG22 THR 4 0.104 -18.858 7.680
23 HG23 THR 4 HG23 THR 4 -0.911 -17.657 8.480
24 H THR 5 H THR 5 3.581 -16.338 6.674
25 HA THR 5 HA THR 5 5.783 -15.885 8.585
26 HB THR 5 HB THR 5 7.038 -15.022 6.654
27 HG21 THR 5 HG21 THR 5 6.534 -17.618 7.191
28 HG22 THR 5 HG22 THR 5 7.570 -17.107 5.858
29 HG23 THR 5 HG23 THR 5 5.886 -17.532 5.553
30 H THR 6 H THR 6 6.267 -13.852 9.315
31 HA THR 6 HA THR 6 4.250 -11.775 8.754
32 HB THR 6 HB THR 6 4.987 -10.764 10.879
33 HG21 THR 6 HG21 THR 6 4.614 -13.670 11.511
34 HG22 THR 6 HG22 THR 6 3.335 -12.821 10.642
35 HG23 THR 6 HG23 THR 6 3.840 -12.260 12.236
36 H THR 7 H THR 7 4.845 -9.720 8.130
37 HA THR 7 HA THR 7 7.589 -9.474 7.093
38 HB THR 7 HB THR 7 6.708 -7.731 5.645
39 HG21 THR 7 HG21 THR 7 5.465 -9.103 4.236
40 HG22 THR 7 HG22 THR 7 4.553 -9.815 5.568
41 HG23 THR 7 HG23 THR 7 6.224 -10.302 5.283
42 H LYS 8 H LYS 8 9.005 -8.114 7.991
43 HA LYS 8 HA LYS 8 8.235 -6.574 10.316
44 HB2 LYS 8 HB2 LYS 8 10.347 -7.634 10.488
45 HB3 LYS 8 HB3 LYS 8 10.852 -7.060 8.898
46 HG2 LYS 8 HG2 LYS 8 11.211 -4.876 9.651
47 HG3 LYS 8 HG3 LYS 8 10.138 -5.074 11.037
48 HD2 LYS 8 HD2 LYS 8 11.727 -6.385 12.219
49 HD3 LYS 8 HD3 LYS 8 12.699 -6.653 10.772
50 HE2 LYS 8 HE2 LYS 8 13.634 -4.928 12.382
51 HE3 LYS 8 HE3 LYS 8 13.414 -4.360 10.726
52 HZ1 LYS 8 HZ1 LYS 8 12.442 -3.138 12.923
53 HZ2 LYS 8 HZ2 LYS 8 11.093 -4.028 12.397
54 HZ3 LYS 8 HZ3 LYS 8 11.845 -2.922 11.350
55 H LYS 9 H LYS 9 7.451 -4.580 10.207
56 HA LYS 9 HA LYS 9 8.668 -2.485 8.751
57 HB2 LYS 9 HB2 LYS 9 7.323 -3.964 6.992
58 HB3 LYS 9 HB3 LYS 9 5.969 -3.009 7.598
59 HG2 LYS 9 HG2 LYS 9 7.615 -0.985 7.258
60 HG3 LYS 9 HG3 LYS 9 8.436 -2.089 6.153
61 HD2 LYS 9 HD2 LYS 9 6.265 -2.460 4.977
62 HD3 LYS 9 HD3 LYS 9 5.525 -1.250 6.025
63 HE2 LYS 9 HE2 LYS 9 6.917 0.490 5.155
64 HE3 LYS 9 HE3 LYS 9 7.964 -0.667 4.334
65 HZ1 LYS 9 HZ1 LYS 9 5.322 -1.086 3.496
66 HZ2 LYS 9 HZ2 LYS 9 6.653 -0.574 2.575
67 HZ3 LYS 9 HZ3 LYS 9 5.664 0.569 3.351
68 HA PRO 10 HA PRO 10 5.464 -1.951 12.337
69 HB2 PRO 10 HB2 PRO 10 7.553 -0.445 13.626
70 HB3 PRO 10 HB3 PRO 10 6.807 -1.959 14.159
71 HG2 PRO 10 HG2 PRO 10 9.356 -1.516 12.806
72 HG3 PRO 10 HG3 PRO 10 8.794 -2.918 13.726
73 HD2 PRO 10 HD2 PRO 10 9.103 -2.941 11.004
74 HD3 PRO 10 HD3 PRO 10 7.924 -3.963 11.858
75 HN1 NH2 11 HN1 NH2 11 4.456 1.075 12.029
76 HN2 NH2 11 HN2 NH2 11 5.549 0.964 13.324
77 H1 A2G 101 H1 A2G 12 2.413 -15.619 10.175
78 H2 A2G 101 H2 A2G 12 2.256 -15.225 12.597
79 HN2 A2G 101 HN2 A2G 12 3.322 -17.923 11.993
80 H3 A2G 101 H3 A2G 12 0.857 -17.912 12.695
81 HO3 A2G 101 HO3 A2G 12 1.639 -17.739 14.636
82 H4 A2G 101 H4 A2G 12 -1.148 -16.678 13.284
83 HO4 A2G 101 HO4 A2G 12 -0.512 -14.198 12.737
84 H5 A2G 101 H5 A2G 12 -0.779 -16.971 10.879
85 H6 A2G 101 H6 A2G 12 -1.631 -14.244 10.574
86 H8 A2G 101 H8 A2G 12 5.726 -17.745 13.912
87 H8A A2G 101 H8A A2G 12 6.523 -16.846 12.621
88 H8B A2G 101 H8B A2G 12 5.495 -18.225 12.230
89 H14 A2G 101 H14 A2G 12 -2.614 -15.708 10.540
90 H15 A2G 101 H15 A2G 12 -3.377 -14.629 12.250
91 H1 A2G 102 H1 A2G 13 5.984 -13.210 5.670
92 H2 A2G 102 H2 A2G 13 5.379 -12.498 3.397
93 HN2 A2G 102 HN2 A2G 13 3.195 -14.028 4.685
94 H3 A2G 102 H3 A2G 13 4.556 -15.384 2.978
95 HO3 A2G 102 HO3 A2G 13 4.695 -13.187 1.194
96 H4 A2G 102 H4 A2G 13 6.429 -15.526 1.435
97 HO4 A2G 102 HO4 A2G 13 7.704 -13.803 1.020
98 H5 A2G 102 H5 A2G 13 6.925 -16.050 3.782
99 H6 A2G 102 H6 A2G 13 9.289 -14.388 3.078
100 H8 A2G 102 H8 A2G 13 0.942 -12.226 4.143
101 H8A A2G 102 H8A A2G 13 1.513 -11.009 5.285
102 H8B A2G 102 H8B A2G 13 1.610 -12.721 5.698
103 H14 A2G 102 H14 A2G 13 9.201 -16.103 3.482
104 H15 A2G 102 H15 A2G 13 8.851 -14.815 1.034
105 H1 A2G 103 H1 A2G 14 7.273 -10.280 10.765
106 H2 A2G 103 H2 A2G 14 9.222 -10.580 12.233
107 HN2 A2G 103 HN2 A2G 14 8.871 -12.876 10.395
108 H3 A2G 103 H3 A2G 14 8.067 -13.324 12.793
109 HO3 A2G 103 HO3 A2G 14 9.823 -13.246 14.351
110 H4 A2G 103 H4 A2G 14 7.658 -12.516 15.048
111 HO4 A2G 103 HO4 A2G 14 8.976 -10.250 14.039
112 H5 A2G 103 H5 A2G 14 5.857 -12.134 13.425
113 H6 A2G 103 H6 A2G 14 5.980 -9.531 14.900
114 H8 A2G 103 H8 A2G 14 11.506 -13.162 9.337
115 H8A A2G 103 H8A A2G 14 11.561 -11.628 8.467
116 H8B A2G 103 H8B A2G 14 10.105 -12.622 8.412
117 H14 A2G 103 H14 A2G 14 4.642 -10.669 14.750
118 H15 A2G 103 H15 A2G 14 5.269 -11.240 16.672
119 H1 A2G 104 H1 A2G 15 6.019 -5.936 6.956
120 H2 A2G 104 H2 A2G 15 4.081 -4.428 7.051
121 HN2 A2G 104 HN2 A2G 15 3.704 -6.803 8.780
122 H3 A2G 104 H3 A2G 15 2.431 -6.921 6.552
123 HO3 A2G 104 HO3 A2G 15 1.219 -4.547 6.230
124 H4 A2G 104 H4 A2G 15 1.910 -5.949 4.387
125 HO4 A2G 104 HO4 A2G 15 3.750 -3.903 5.049
126 H5 A2G 104 H5 A2G 15 3.924 -7.350 4.482
127 H6 A2G 104 H6 A2G 15 5.109 -5.300 2.800
128 H8 A2G 104 H8 A2G 15 2.941 -5.207 11.364
129 H8A A2G 104 H8A A2G 15 4.689 -5.020 11.506
130 H8B A2G 104 H8B A2G 15 4.010 -6.542 10.928
131 H14 A2G 104 H14 A2G 15 4.364 -6.828 2.328
132 H15 A2G 104 H15 A2G 15 3.324 -4.292 2.361
Start of MODEL 8
1 H1 ACE 1 H1 ACE 1 0.298 -25.344 3.164
2 H2 ACE 1 H2 ACE 1 1.995 -25.024 3.522
3 H3 ACE 1 H3 ACE 1 1.082 -23.906 2.510
4 HA PRO 2 HA PRO 2 -1.195 -23.479 6.833
5 HB2 PRO 2 HB2 PRO 2 0.541 -24.764 8.736
6 HB3 PRO 2 HB3 PRO 2 -1.139 -25.160 8.348
7 HG2 PRO 2 HG2 PRO 2 1.328 -26.444 7.460
8 HG3 PRO 2 HG3 PRO 2 -0.330 -27.061 7.461
9 HD2 PRO 2 HD2 PRO 2 1.010 -26.378 5.172
10 HD3 PRO 2 HD3 PRO 2 -0.760 -26.289 5.327
11 HA PRO 3 HA PRO 3 3.066 -21.936 8.919
12 HB2 PRO 3 HB2 PRO 3 4.860 -21.968 6.662
13 HB3 PRO 3 HB3 PRO 3 5.031 -22.802 8.214
14 HG2 PRO 3 HG2 PRO 3 4.112 -23.834 5.636
15 HG3 PRO 3 HG3 PRO 3 4.724 -24.705 7.050
16 HD2 PRO 3 HD2 PRO 3 2.102 -24.774 6.290
17 HD3 PRO 3 HD3 PRO 3 2.617 -24.933 7.986
18 H THR 4 H THR 4 3.710 -19.761 8.798
19 HA THR 4 HA THR 4 3.091 -18.248 6.375
20 HB THR 4 HB THR 4 1.744 -16.591 7.663
21 HG21 THR 4 HG21 THR 4 0.780 -18.749 6.488
22 HG22 THR 4 HG22 THR 4 -0.269 -17.793 7.534
23 HG23 THR 4 HG23 THR 4 0.470 -19.273 8.142
24 H THR 5 H THR 5 3.747 -15.870 6.753
25 HA THR 5 HA THR 5 6.095 -15.685 8.537
26 HB THR 5 HB THR 5 7.404 -14.611 6.790
27 HG21 THR 5 HG21 THR 5 8.035 -16.569 5.817
28 HG22 THR 5 HG22 THR 5 6.409 -16.913 5.229
29 HG23 THR 5 HG23 THR 5 6.837 -17.278 6.899
30 H THR 6 H THR 6 6.407 -13.694 9.473
31 HA THR 6 HA THR 6 4.280 -11.713 8.974
32 HB THR 6 HB THR 6 4.806 -10.855 11.209
33 HG21 THR 6 HG21 THR 6 4.727 -13.817 11.614
34 HG22 THR 6 HG22 THR 6 3.412 -13.065 10.712
35 HG23 THR 6 HG23 THR 6 3.749 -12.558 12.367
36 H THR 7 H THR 7 4.747 -9.723 8.221
37 HA THR 7 HA THR 7 7.573 -9.126 7.646
38 HB THR 7 HB THR 7 6.750 -7.586 5.973
39 HG21 THR 7 HG21 THR 7 6.655 -10.158 5.611
40 HG22 THR 7 HG22 THR 7 5.786 -9.127 4.474
41 HG23 THR 7 HG23 THR 7 4.908 -9.962 5.756
42 H LYS 8 H LYS 8 8.608 -7.451 8.577
43 HA LYS 8 HA LYS 8 7.302 -6.058 10.751
44 HB2 LYS 8 HB2 LYS 8 10.099 -6.184 9.670
45 HB3 LYS 8 HB3 LYS 8 9.647 -4.903 10.796
46 HG2 LYS 8 HG2 LYS 8 8.845 -7.689 11.498
47 HG3 LYS 8 HG3 LYS 8 10.552 -7.270 11.656
48 HD2 LYS 8 HD2 LYS 8 10.006 -5.397 13.111
49 HD3 LYS 8 HD3 LYS 8 8.281 -5.675 12.874
50 HE2 LYS 8 HE2 LYS 8 9.643 -8.095 13.748
51 HE3 LYS 8 HE3 LYS 8 9.864 -6.775 14.896
52 HZ1 LYS 8 HZ1 LYS 8 7.510 -6.459 15.007
53 HZ2 LYS 8 HZ2 LYS 8 7.841 -8.101 15.297
54 HZ3 LYS 8 HZ3 LYS 8 7.240 -7.606 13.786
55 H LYS 9 H LYS 9 7.797 -3.623 10.943
56 HA LYS 9 HA LYS 9 6.387 -2.265 8.907
57 HB2 LYS 9 HB2 LYS 9 7.893 -1.482 11.354
58 HB3 LYS 9 HB3 LYS 9 7.573 -0.224 10.160
59 HG2 LYS 9 HG2 LYS 9 5.754 -0.359 11.834
60 HG3 LYS 9 HG3 LYS 9 5.173 -0.762 10.218
61 HD2 LYS 9 HD2 LYS 9 4.830 -2.969 10.740
62 HD3 LYS 9 HD3 LYS 9 6.197 -3.023 11.854
63 HE2 LYS 9 HE2 LYS 9 3.543 -1.662 12.406
64 HE3 LYS 9 HE3 LYS 9 4.046 -3.219 13.062
65 HZ1 LYS 9 HZ1 LYS 9 5.087 -0.532 13.656
66 HZ2 LYS 9 HZ2 LYS 9 6.091 -1.888 13.860
67 HZ3 LYS 9 HZ3 LYS 9 4.635 -1.768 14.727
68 HA PRO 10 HA PRO 10 9.140 -1.226 5.683
69 HB2 PRO 10 HB2 PRO 10 8.962 1.631 6.004
70 HB3 PRO 10 HB3 PRO 10 8.150 0.611 4.807
71 HG2 PRO 10 HG2 PRO 10 7.114 1.754 7.286
72 HG3 PRO 10 HG3 PRO 10 6.243 1.124 5.882
73 HD2 PRO 10 HD2 PRO 10 6.309 -0.159 8.301
74 HD3 PRO 10 HD3 PRO 10 6.119 -1.013 6.753
75 HN1 NH2 11 HN1 NH2 11 11.224 0.829 8.571
76 HN2 NH2 11 HN2 NH2 11 9.749 0.060 8.913
77 H1 A2G 101 H1 A2G 12 2.877 -15.907 9.544
78 H2 A2G 101 H2 A2G 12 2.453 -15.690 11.980
79 HN2 A2G 101 HN2 A2G 12 3.706 -18.271 11.246
80 H3 A2G 101 H3 A2G 12 1.150 -18.407 11.669
81 HO3 A2G 101 HO3 A2G 12 0.678 -18.024 13.887
82 H4 A2G 101 H4 A2G 12 -0.936 -17.286 12.178
83 HO4 A2G 101 HO4 A2G 12 0.239 -15.650 13.481
84 H5 A2G 101 H5 A2G 12 -0.343 -17.270 9.809
85 H6 A2G 101 H6 A2G 12 -1.194 -14.444 10.084
86 H8 A2G 101 H8 A2G 12 5.870 -18.293 13.356
87 H8A A2G 101 H8A A2G 12 6.754 -17.094 12.410
88 H8B A2G 101 H8B A2G 12 5.910 -18.412 11.596
89 H14 A2G 101 H14 A2G 12 -1.960 -15.769 9.208
90 H15 A2G 101 H15 A2G 12 -2.443 -16.598 11.410
91 H1 A2G 102 H1 A2G 13 6.434 -12.688 5.931
92 H2 A2G 102 H2 A2G 13 5.991 -11.736 3.742
93 HN2 A2G 102 HN2 A2G 13 3.775 -13.522 4.581
94 H3 A2G 102 H3 A2G 13 5.288 -14.541 2.832
95 HO3 A2G 102 HO3 A2G 13 5.304 -11.975 1.700
96 H4 A2G 102 H4 A2G 13 7.340 -14.508 1.534
97 HO4 A2G 102 HO4 A2G 13 7.532 -11.911 2.617
98 H5 A2G 102 H5 A2G 13 7.491 -15.345 3.848
99 H6 A2G 102 H6 A2G 13 9.992 -13.773 3.714
100 H8 A2G 102 H8 A2G 13 1.453 -11.790 3.595
101 H8A A2G 102 H8A A2G 13 1.689 -10.845 5.066
102 H8B A2G 102 H8B A2G 13 1.853 -12.601 5.109
103 H14 A2G 102 H14 A2G 13 9.765 -15.521 3.751
104 H15 A2G 102 H15 A2G 13 9.674 -15.579 1.639
105 H1 A2G 103 H1 A2G 14 7.029 -10.125 11.257
106 H2 A2G 103 H2 A2G 14 8.924 -10.364 12.828
107 HN2 A2G 103 HN2 A2G 14 8.945 -12.421 10.697
108 H3 A2G 103 H3 A2G 14 8.028 -13.254 12.981
109 HO3 A2G 103 HO3 A2G 14 9.716 -12.944 14.776
110 H4 A2G 103 H4 A2G 14 7.467 -12.763 15.296
111 HO4 A2G 103 HO4 A2G 14 9.082 -11.132 15.550
112 H5 A2G 103 H5 A2G 14 5.685 -12.340 13.675
113 H6 A2G 103 H6 A2G 14 5.422 -9.871 15.281
114 H8 A2G 103 H8 A2G 14 11.819 -12.290 10.094
115 H8A A2G 103 H8A A2G 14 11.666 -10.786 9.186
116 H8B A2G 103 H8B A2G 14 10.457 -12.054 8.999
117 H14 A2G 103 H14 A2G 14 4.349 -11.268 15.186
118 H15 A2G 103 H15 A2G 14 5.694 -12.375 16.569
119 H1 A2G 104 H1 A2G 15 5.706 -5.835 7.037
120 H2 A2G 104 H2 A2G 15 3.637 -4.529 6.833
121 HN2 A2G 104 HN2 A2G 15 3.266 -6.878 8.597
122 H3 A2G 104 H3 A2G 15 2.304 -7.186 6.239
123 HO3 A2G 104 HO3 A2G 15 1.090 -4.734 5.811
124 H4 A2G 104 H4 A2G 15 1.972 -6.332 3.987
125 HO4 A2G 104 HO4 A2G 15 2.155 -4.050 4.986
126 H5 A2G 104 H5 A2G 15 4.076 -7.531 4.395
127 H6 A2G 104 H6 A2G 15 5.044 -5.239 2.765
128 H8 A2G 104 H8 A2G 15 1.971 -5.570 10.863
129 H8A A2G 104 H8A A2G 15 3.440 -4.747 11.387
130 H8B A2G 104 H8B A2G 15 3.514 -6.423 10.841
131 H14 A2G 104 H14 A2G 15 5.010 -6.958 2.376
132 H15 A2G 104 H15 A2G 15 3.272 -6.547 1.308
Start of MODEL 9
1 H1 ACE 1 H1 ACE 1 2.078 -23.999 2.606
2 H2 ACE 1 H2 ACE 1 1.427 -25.541 3.162
3 H3 ACE 1 H3 ACE 1 3.019 -25.011 3.700
4 HA PRO 2 HA PRO 2 -0.662 -23.955 6.665
5 HB2 PRO 2 HB2 PRO 2 1.007 -25.058 8.736
6 HB3 PRO 2 HB3 PRO 2 -0.562 -25.644 8.166
7 HG2 PRO 2 HG2 PRO 2 2.115 -26.619 7.557
8 HG3 PRO 2 HG3 PRO 2 0.550 -27.414 7.347
9 HD2 PRO 2 HD2 PRO 2 2.085 -26.510 5.254
10 HD3 PRO 2 HD3 PRO 2 0.315 -26.669 5.179
11 HA PRO 3 HA PRO 3 3.114 -21.930 9.214
12 HB2 PRO 3 HB2 PRO 3 5.139 -21.700 7.176
13 HB3 PRO 3 HB3 PRO 3 5.241 -22.538 8.732
14 HG2 PRO 3 HG2 PRO 3 4.747 -23.621 6.059
15 HG3 PRO 3 HG3 PRO 3 5.312 -24.437 7.525
16 HD2 PRO 3 HD2 PRO 3 2.818 -24.832 6.495
17 HD3 PRO 3 HD3 PRO 3 3.166 -24.944 8.235
18 H THR 4 H THR 4 3.651 -19.681 9.077
19 HA THR 4 HA THR 4 2.917 -18.270 6.612
20 HB THR 4 HB THR 4 1.427 -16.742 7.831
21 HG21 THR 4 HG21 THR 4 0.457 -19.494 8.528
22 HG22 THR 4 HG22 THR 4 0.697 -19.059 6.837
23 HG23 THR 4 HG23 THR 4 -0.438 -18.145 7.829
24 H THR 5 H THR 5 4.073 -16.413 6.302
25 HA THR 5 HA THR 5 6.057 -15.754 8.384
26 HB THR 5 HB THR 5 7.369 -14.750 6.565
27 HG21 THR 5 HG21 THR 5 7.117 -17.376 7.057
28 HG22 THR 5 HG22 THR 5 8.155 -16.763 5.770
29 HG23 THR 5 HG23 THR 5 6.540 -17.361 5.391
30 H THR 6 H THR 6 6.280 -13.703 9.163
31 HA THR 6 HA THR 6 4.132 -11.808 8.457
32 HB THR 6 HB THR 6 4.577 -10.780 10.649
33 HG21 THR 6 HG21 THR 6 4.521 -13.695 11.308
34 HG22 THR 6 HG22 THR 6 3.243 -13.074 10.265
35 HG23 THR 6 HG23 THR 6 3.473 -12.396 11.877
36 H THR 7 H THR 7 4.621 -9.616 8.058
37 HA THR 7 HA THR 7 7.375 -9.173 7.117
38 HB THR 7 HB THR 7 6.428 -7.328 5.796
39 HG21 THR 7 HG21 THR 7 5.503 -8.690 4.180
40 HG22 THR 7 HG22 THR 7 4.472 -9.538 5.333
41 HG23 THR 7 HG23 THR 7 6.188 -9.932 5.227
42 H LYS 8 H LYS 8 8.682 -7.753 8.076
43 HA LYS 8 HA LYS 8 7.841 -6.477 10.528
44 HB2 LYS 8 HB2 LYS 8 10.048 -7.499 10.401
45 HB3 LYS 8 HB3 LYS 8 10.487 -6.439 9.062
46 HG2 LYS 8 HG2 LYS 8 10.737 -4.600 10.416
47 HG3 LYS 8 HG3 LYS 8 9.486 -5.129 11.542
48 HD2 LYS 8 HD2 LYS 8 12.047 -6.687 11.333
49 HD3 LYS 8 HD3 LYS 8 12.004 -5.203 12.287
50 HE2 LYS 8 HE2 LYS 8 10.596 -6.096 13.871
51 HE3 LYS 8 HE3 LYS 8 9.787 -7.149 12.710
52 HZ1 LYS 8 HZ1 LYS 8 11.342 -8.208 14.416
53 HZ2 LYS 8 HZ2 LYS 8 12.606 -7.592 13.463
54 HZ3 LYS 8 HZ3 LYS 8 11.495 -8.693 12.797
55 H LYS 9 H LYS 9 7.586 -4.314 10.930
56 HA LYS 9 HA LYS 9 6.798 -2.621 8.808
57 HB2 LYS 9 HB2 LYS 9 7.240 -2.311 11.735
58 HB3 LYS 9 HB3 LYS 9 7.170 -0.843 10.759
59 HG2 LYS 9 HG2 LYS 9 5.001 -1.526 9.842
60 HG3 LYS 9 HG3 LYS 9 5.073 -3.035 10.754
61 HD2 LYS 9 HD2 LYS 9 4.125 -1.990 12.505
62 HD3 LYS 9 HD3 LYS 9 5.534 -0.932 12.606
63 HE2 LYS 9 HE2 LYS 9 3.113 -0.467 10.838
64 HE3 LYS 9 HE3 LYS 9 3.454 0.379 12.348
65 HZ1 LYS 9 HZ1 LYS 9 4.862 1.725 11.319
66 HZ2 LYS 9 HZ2 LYS 9 4.311 1.090 9.843
67 HZ3 LYS 9 HZ3 LYS 9 5.690 0.437 10.589
68 HA PRO 10 HA PRO 10 10.298 -0.687 7.053
69 HB2 PRO 10 HB2 PRO 10 9.675 1.992 7.913
70 HB3 PRO 10 HB3 PRO 10 9.432 1.271 6.315
71 HG2 PRO 10 HG2 PRO 10 7.516 1.683 8.490
72 HG3 PRO 10 HG3 PRO 10 7.228 1.446 6.760
73 HD2 PRO 10 HD2 PRO 10 6.634 -0.459 8.608
74 HD3 PRO 10 HD3 PRO 10 7.146 -0.868 6.955
75 HN1 NH2 11 HN1 NH2 11 10.134 -0.466 10.720
76 HN2 NH2 11 HN2 NH2 11 10.571 1.169 10.609
77 H1 A2G 101 H1 A2G 12 2.231 -15.702 9.688
78 H2 A2G 101 H2 A2G 12 1.739 -15.401 12.058
79 HN2 A2G 101 HN2 A2G 12 3.349 -17.846 11.613
80 H3 A2G 101 H3 A2G 12 0.841 -18.293 12.017
81 HO3 A2G 101 HO3 A2G 12 0.678 -18.069 14.126
82 H4 A2G 101 H4 A2G 12 -1.397 -17.404 12.423
83 HO4 A2G 101 HO4 A2G 12 -1.326 -14.929 11.903
84 H5 A2G 101 H5 A2G 12 -0.708 -17.708 10.087
85 H6 A2G 101 H6 A2G 12 -2.082 -15.050 10.035
86 H8 A2G 101 H8 A2G 12 5.226 -17.554 13.795
87 H8A A2G 101 H8A A2G 12 6.125 -16.228 13.058
88 H8B A2G 101 H8B A2G 12 5.607 -17.596 12.074
89 H14 A2G 101 H14 A2G 12 -2.483 -16.533 9.169
90 H15 A2G 101 H15 A2G 12 -3.673 -17.151 10.777
91 H1 A2G 102 H1 A2G 13 6.142 -13.032 5.531
92 H2 A2G 102 H2 A2G 13 5.702 -12.367 3.193
93 HN2 A2G 102 HN2 A2G 13 3.597 -14.137 4.287
94 H3 A2G 102 H3 A2G 13 5.284 -15.334 2.738
95 HO3 A2G 102 HO3 A2G 13 4.266 -13.291 1.534
96 H4 A2G 102 H4 A2G 13 7.289 -15.230 1.368
97 HO4 A2G 102 HO4 A2G 13 7.844 -13.372 0.620
98 H5 A2G 102 H5 A2G 13 7.661 -15.680 3.745
99 H6 A2G 102 H6 A2G 13 9.829 -13.722 3.368
100 H8 A2G 102 H8 A2G 13 1.215 -12.489 3.837
101 H8A A2G 102 H8A A2G 13 1.699 -11.294 5.041
102 H8B A2G 102 H8B A2G 13 1.928 -13.013 5.362
103 H14 A2G 102 H14 A2G 13 9.918 -15.474 3.551
104 H15 A2G 102 H15 A2G 13 9.276 -15.662 1.375
105 H1 A2G 103 H1 A2G 14 6.798 -10.027 10.711
106 H2 A2G 103 H2 A2G 14 8.640 -10.135 12.347
107 HN2 A2G 103 HN2 A2G 14 8.738 -12.371 10.410
108 H3 A2G 103 H3 A2G 14 7.776 -13.017 12.705
109 HO3 A2G 103 HO3 A2G 14 10.062 -11.738 13.105
110 H4 A2G 103 H4 A2G 14 7.086 -12.372 14.937
111 HO4 A2G 103 HO4 A2G 14 7.222 -10.186 15.557
112 H5 A2G 103 H5 A2G 14 5.380 -12.080 13.208
113 H6 A2G 103 H6 A2G 14 5.158 -9.530 14.765
114 H8 A2G 103 H8 A2G 14 11.377 -12.155 9.343
115 H8A A2G 103 H8A A2G 14 11.191 -10.556 8.623
116 H8B A2G 103 H8B A2G 14 9.901 -11.750 8.467
117 H14 A2G 103 H14 A2G 14 3.939 -10.770 14.472
118 H15 A2G 103 H15 A2G 14 4.537 -11.728 16.225
119 H1 A2G 104 H1 A2G 15 5.459 -5.753 7.254
120 H2 A2G 104 H2 A2G 15 3.346 -4.480 7.361
121 HN2 A2G 104 HN2 A2G 15 3.204 -7.033 8.854
122 H3 A2G 104 H3 A2G 15 2.023 -7.096 6.618
123 HO3 A2G 104 HO3 A2G 15 0.882 -5.595 7.957
124 H4 A2G 104 H4 A2G 15 1.548 -6.179 4.449
125 HO4 A2G 104 HO4 A2G 15 2.396 -3.827 5.666
126 H5 A2G 104 H5 A2G 15 3.767 -7.144 4.530
127 H6 A2G 104 H6 A2G 15 4.338 -4.535 3.182
128 H8 A2G 104 H8 A2G 15 2.066 -6.003 11.392
129 H8A A2G 104 H8A A2G 15 3.604 -5.266 11.843
130 H8B A2G 104 H8B A2G 15 3.577 -6.860 11.088
131 H14 A2G 104 H14 A2G 15 4.589 -6.177 2.592
132 H15 A2G 104 H15 A2G 15 2.822 -5.036 1.590
Start of MODEL 10
1 H1 ACE 1 H1 ACE 1 1.169 -24.647 3.809
2 H2 ACE 1 H2 ACE 1 0.356 -23.470 2.778
3 H3 ACE 1 H3 ACE 1 -0.541 -24.842 3.425
4 HA PRO 2 HA PRO 2 -1.945 -22.841 7.054
5 HB2 PRO 2 HB2 PRO 2 -0.347 -24.244 8.996
6 HB3 PRO 2 HB3 PRO 2 -2.049 -24.504 8.584
7 HG2 PRO 2 HG2 PRO 2 0.316 -26.000 7.755
8 HG3 PRO 2 HG3 PRO 2 -1.389 -26.471 7.718
9 HD2 PRO 2 HD2 PRO 2 0.068 -25.913 5.461
10 HD3 PRO 2 HD3 PRO 2 -1.694 -25.694 5.566
11 HA PRO 3 HA PRO 3 2.375 -21.583 9.207
12 HB2 PRO 3 HB2 PRO 3 4.238 -21.832 7.023
13 HB3 PRO 3 HB3 PRO 3 4.281 -22.640 8.597
14 HG2 PRO 3 HG2 PRO 3 3.382 -23.652 6.008
15 HG3 PRO 3 HG3 PRO 3 3.857 -24.537 7.464
16 HD2 PRO 3 HD2 PRO 3 1.269 -24.393 6.586
17 HD3 PRO 3 HD3 PRO 3 1.700 -24.579 8.301
18 H THR 4 H THR 4 3.307 -19.493 8.973
19 HA THR 4 HA THR 4 2.741 -18.018 6.502
20 HB THR 4 HB THR 4 1.628 -16.211 7.738
21 HG21 THR 4 HG21 THR 4 0.407 -18.338 6.845
22 HG22 THR 4 HG22 THR 4 -0.468 -17.254 7.927
23 HG23 THR 4 HG23 THR 4 0.229 -18.749 8.551
24 H THR 5 H THR 5 3.675 -15.750 6.663
25 HA THR 5 HA THR 5 6.039 -15.670 8.424
26 HB THR 5 HB THR 5 7.459 -14.970 6.587
27 HG21 THR 5 HG21 THR 5 6.625 -17.499 6.951
28 HG22 THR 5 HG22 THR 5 7.749 -17.058 5.666
29 HG23 THR 5 HG23 THR 5 6.032 -17.252 5.309
30 H THR 6 H THR 6 6.609 -13.666 9.155
31 HA THR 6 HA THR 6 4.720 -11.488 8.541
32 HB THR 6 HB THR 6 5.310 -10.552 10.690
33 HG21 THR 6 HG21 THR 6 5.168 -13.483 11.304
34 HG22 THR 6 HG22 THR 6 3.830 -12.729 10.437
35 HG23 THR 6 HG23 THR 6 4.283 -12.146 12.038
36 H THR 7 H THR 7 5.764 -9.247 8.866
37 HA THR 7 HA THR 7 8.485 -9.154 7.753
38 HB THR 7 HB THR 7 7.566 -7.221 6.271
39 HG21 THR 7 HG21 THR 7 6.788 -8.971 4.558
40 HG22 THR 7 HG22 THR 7 7.103 -10.169 5.813
41 HG23 THR 7 HG23 THR 7 8.418 -9.164 5.201
42 H LYS 8 H LYS 8 9.593 -7.184 8.127
43 HA LYS 8 HA LYS 8 8.820 -5.894 10.599
44 HB2 LYS 8 HB2 LYS 8 11.188 -5.499 8.755
45 HB3 LYS 8 HB3 LYS 8 10.975 -4.664 10.293
46 HG2 LYS 8 HG2 LYS 8 10.555 -7.506 10.633
47 HG3 LYS 8 HG3 LYS 8 12.128 -7.203 9.894
48 HD2 LYS 8 HD2 LYS 8 11.128 -5.763 12.363
49 HD3 LYS 8 HD3 LYS 8 12.165 -7.188 12.414
50 HE2 LYS 8 HE2 LYS 8 13.994 -5.945 11.988
51 HE3 LYS 8 HE3 LYS 8 13.235 -5.242 10.559
52 HZ1 LYS 8 HZ1 LYS 8 12.580 -4.338 13.299
53 HZ2 LYS 8 HZ2 LYS 8 12.262 -3.551 11.828
54 HZ3 LYS 8 HZ3 LYS 8 13.854 -3.660 12.409
55 H LYS 9 H LYS 9 7.082 -4.566 10.304
56 HA LYS 9 HA LYS 9 7.495 -2.003 9.186
57 HB2 LYS 9 HB2 LYS 9 7.091 -3.675 7.153
58 HB3 LYS 9 HB3 LYS 9 5.404 -3.410 7.595
59 HG2 LYS 9 HG2 LYS 9 5.774 -0.958 7.467
60 HG3 LYS 9 HG3 LYS 9 7.438 -1.251 6.961
61 HD2 LYS 9 HD2 LYS 9 5.639 -2.815 5.335
62 HD3 LYS 9 HD3 LYS 9 5.147 -1.121 5.309
63 HE2 LYS 9 HE2 LYS 9 6.812 -1.639 3.533
64 HE3 LYS 9 HE3 LYS 9 7.412 -0.441 4.679
65 HZ1 LYS 9 HZ1 LYS 9 8.925 -2.389 4.050
66 HZ2 LYS 9 HZ2 LYS 9 7.940 -3.316 5.079
67 HZ3 LYS 9 HZ3 LYS 9 8.794 -1.979 5.690
68 HA PRO 10 HA PRO 10 3.956 -3.212 12.255
69 HB2 PRO 10 HB2 PRO 10 5.082 -1.166 13.943
70 HB3 PRO 10 HB3 PRO 10 4.961 -2.903 14.261
71 HG2 PRO 10 HG2 PRO 10 7.248 -1.332 13.348
72 HG3 PRO 10 HG3 PRO 10 7.202 -2.941 14.083
73 HD2 PRO 10 HD2 PRO 10 7.812 -2.516 11.446
74 HD3 PRO 10 HD3 PRO 10 7.061 -4.014 12.042
75 HN1 NH2 11 HN1 NH2 11 1.916 -0.527 11.607
76 HN2 NH2 11 HN2 NH2 11 2.232 -1.472 12.982
77 H1 A2G 101 H1 A2G 12 2.973 -15.440 9.433
78 H2 A2G 101 H2 A2G 12 2.794 -14.938 11.850
79 HN2 A2G 101 HN2 A2G 12 3.684 -17.713 11.313
80 H3 A2G 101 H3 A2G 12 1.202 -17.511 11.968
81 HO3 A2G 101 HO3 A2G 12 1.125 -15.853 14.097
82 H4 A2G 101 H4 A2G 12 -0.713 -16.125 12.497
83 HO4 A2G 101 HO4 A2G 12 -0.401 -14.205 13.224
84 H5 A2G 101 H5 A2G 12 -0.329 -16.473 10.107
85 H6 A2G 101 H6 A2G 12 -0.916 -13.537 10.246
86 H8 A2G 101 H8 A2G 12 5.818 -18.014 13.249
87 H8A A2G 101 H8A A2G 12 6.904 -16.877 12.450
88 H8B A2G 101 H8B A2G 12 5.964 -18.020 11.490
89 H14 A2G 101 H14 A2G 12 -1.759 -14.804 9.354
90 H15 A2G 101 H15 A2G 12 -1.960 -14.065 12.044
91 H1 A2G 102 H1 A2G 13 6.671 -12.970 5.643
92 H2 A2G 102 H2 A2G 13 6.324 -12.103 3.379
93 HN2 A2G 102 HN2 A2G 13 3.884 -13.429 4.405
94 H3 A2G 102 H3 A2G 13 5.224 -14.854 2.735
95 HO3 A2G 102 HO3 A2G 13 4.279 -13.120 1.607
96 H4 A2G 102 H4 A2G 13 7.193 -15.135 1.338
97 HO4 A2G 102 HO4 A2G 13 8.392 -12.853 2.382
98 H5 A2G 102 H5 A2G 13 7.407 -15.827 3.688
99 H6 A2G 102 H6 A2G 13 10.032 -14.563 3.468
100 H8 A2G 102 H8 A2G 13 2.001 -10.857 4.315
101 H8A A2G 102 H8A A2G 13 2.929 -10.522 5.778
102 H8B A2G 102 H8B A2G 13 2.437 -12.174 5.404
103 H14 A2G 102 H14 A2G 13 9.605 -16.273 3.380
104 H15 A2G 102 H15 A2G 13 10.224 -15.901 1.371
105 H1 A2G 103 H1 A2G 14 7.554 -9.881 10.618
106 H2 A2G 103 H2 A2G 14 9.507 -10.040 12.101
107 HN2 A2G 103 HN2 A2G 14 9.350 -12.334 10.234
108 H3 A2G 103 H3 A2G 14 8.557 -12.869 12.626
109 HO3 A2G 103 HO3 A2G 14 10.680 -12.909 12.880
110 H4 A2G 103 H4 A2G 14 8.084 -12.112 14.888
111 HO4 A2G 103 HO4 A2G 14 8.680 -10.196 15.580
112 H5 A2G 103 H5 A2G 14 6.263 -11.855 13.264
113 H6 A2G 103 H6 A2G 14 6.042 -9.244 14.636
114 H8 A2G 103 H8 A2G 14 12.077 -12.376 9.207
115 H8A A2G 103 H8A A2G 14 11.911 -10.855 8.330
116 H8B A2G 103 H8B A2G 14 10.595 -12.029 8.317
117 H14 A2G 103 H14 A2G 14 4.967 -10.641 14.698
118 H15 A2G 103 H15 A2G 14 6.699 -11.644 15.978
119 H1 A2G 104 H1 A2G 15 5.906 -6.121 7.475
120 H2 A2G 104 H2 A2G 15 3.557 -5.488 7.283
121 HN2 A2G 104 HN2 A2G 15 3.837 -8.226 8.378
122 H3 A2G 104 H3 A2G 15 3.210 -8.149 5.879
123 HO3 A2G 104 HO3 A2G 15 1.148 -7.772 6.085
124 H4 A2G 104 H4 A2G 15 2.705 -6.812 3.901
125 HO4 A2G 104 HO4 A2G 15 3.633 -4.452 4.865
126 H5 A2G 104 H5 A2G 15 5.055 -7.425 4.228
127 H6 A2G 104 H6 A2G 15 5.462 -4.611 3.460
128 H8 A2G 104 H8 A2G 15 2.256 -7.986 10.859
129 H8A A2G 104 H8A A2G 15 3.424 -6.882 11.584
130 H8B A2G 104 H8B A2G 15 3.984 -8.270 10.651
131 H14 A2G 104 H14 A2G 15 5.756 -6.082 2.533
132 H15 A2G 104 H15 A2G 15 3.936 -4.531 1.943
Start of MODEL 11
1 H1 ACE 1 H1 ACE 1 -0.981 -20.173 13.258
2 H2 ACE 1 H2 ACE 1 -0.448 -18.719 12.414
3 H3 ACE 1 H3 ACE 1 0.618 -19.503 13.581
4 HA PRO 2 HA PRO 2 0.208 -22.875 10.032
5 HB2 PRO 2 HB2 PRO 2 -0.853 -21.440 7.770
6 HB3 PRO 2 HB3 PRO 2 -1.541 -22.848 8.595
7 HG2 PRO 2 HG2 PRO 2 -2.239 -20.023 8.839
8 HG3 PRO 2 HG3 PRO 2 -3.169 -21.460 9.288
9 HD2 PRO 2 HD2 PRO 2 -2.055 -19.765 11.128
10 HD3 PRO 2 HD3 PRO 2 -2.326 -21.495 11.440
11 HA PRO 3 HA PRO 3 4.044 -21.757 8.217
12 HB2 PRO 3 HB2 PRO 3 3.404 -22.516 5.513
13 HB3 PRO 3 HB3 PRO 3 4.367 -23.406 6.702
14 HG2 PRO 3 HG2 PRO 3 1.588 -23.792 5.896
15 HG3 PRO 3 HG3 PRO 3 2.687 -24.898 6.730
16 HD2 PRO 3 HD2 PRO 3 0.554 -23.691 7.958
17 HD3 PRO 3 HD3 PRO 3 2.026 -24.186 8.826
18 H THR 4 H THR 4 3.912 -19.501 8.383
19 HA THR 4 HA THR 4 3.453 -18.125 5.838
20 HB THR 4 HB THR 4 2.149 -16.338 6.967
21 HG21 THR 4 HG21 THR 4 0.101 -17.461 6.814
22 HG22 THR 4 HG22 THR 4 0.749 -18.938 7.528
23 HG23 THR 4 HG23 THR 4 1.162 -18.507 5.869
24 H THR 5 H THR 5 4.181 -15.781 6.028
25 HA THR 5 HA THR 5 6.376 -15.482 7.971
26 HB THR 5 HB THR 5 7.885 -14.708 6.236
27 HG21 THR 5 HG21 THR 5 7.189 -17.294 6.600
28 HG22 THR 5 HG22 THR 5 8.428 -16.793 5.450
29 HG23 THR 5 HG23 THR 5 6.788 -17.119 4.892
30 H THR 6 H THR 6 6.713 -13.430 8.710
31 HA THR 6 HA THR 6 4.736 -11.408 7.868
32 HB THR 6 HB THR 6 5.044 -10.398 10.041
33 HG21 THR 6 HG21 THR 6 3.747 -12.667 9.710
34 HG22 THR 6 HG22 THR 6 4.029 -12.048 11.337
35 HG23 THR 6 HG23 THR 6 5.056 -13.328 10.690
36 H THR 7 H THR 7 5.433 -9.160 7.803
37 HA THR 7 HA THR 7 8.311 -8.766 7.323
38 HB THR 7 HB THR 7 7.827 -7.515 5.254
39 HG21 THR 7 HG21 THR 7 8.082 -10.155 5.447
40 HG22 THR 7 HG22 THR 7 7.699 -9.392 3.904
41 HG23 THR 7 HG23 THR 7 6.417 -10.124 4.866
42 H LYS 8 H LYS 8 9.033 -6.639 7.633
43 HA LYS 8 HA LYS 8 9.096 -4.684 8.857
44 HB2 LYS 8 HB2 LYS 8 7.674 -4.250 6.673
45 HB3 LYS 8 HB3 LYS 8 6.360 -4.042 7.832
46 HG2 LYS 8 HG2 LYS 8 7.184 -1.876 7.756
47 HG3 LYS 8 HG3 LYS 8 8.145 -2.531 9.082
48 HD2 LYS 8 HD2 LYS 8 9.840 -1.633 7.790
49 HD3 LYS 8 HD3 LYS 8 9.757 -3.248 7.086
50 HE2 LYS 8 HE2 LYS 8 8.104 -2.322 5.404
51 HE3 LYS 8 HE3 LYS 8 8.490 -0.715 6.019
52 HZ1 LYS 8 HZ1 LYS 8 10.657 -2.525 5.195
53 HZ2 LYS 8 HZ2 LYS 8 10.633 -0.827 5.239
54 HZ3 LYS 8 HZ3 LYS 8 9.796 -1.659 4.018
55 H LYS 9 H LYS 9 6.596 -3.261 9.677
56 HA LYS 9 HA LYS 9 5.860 -3.046 11.930
57 HB2 LYS 9 HB2 LYS 9 4.063 -3.819 10.218
58 HB3 LYS 9 HB3 LYS 9 4.169 -5.369 11.053
59 HG2 LYS 9 HG2 LYS 9 3.717 -4.220 13.207
60 HG3 LYS 9 HG3 LYS 9 3.545 -2.695 12.338
61 HD2 LYS 9 HD2 LYS 9 1.416 -3.185 11.801
62 HD3 LYS 9 HD3 LYS 9 1.914 -4.717 11.083
63 HE2 LYS 9 HE2 LYS 9 0.339 -5.123 12.921
64 HE3 LYS 9 HE3 LYS 9 1.934 -5.750 13.338
65 HZ1 LYS 9 HZ1 LYS 9 1.802 -3.065 14.118
66 HZ2 LYS 9 HZ2 LYS 9 1.955 -4.442 15.102
67 HZ3 LYS 9 HZ3 LYS 9 0.415 -3.843 14.705
68 HA PRO 10 HA PRO 10 8.449 -6.772 13.365
69 HB2 PRO 10 HB2 PRO 10 9.334 -4.977 15.439
70 HB3 PRO 10 HB3 PRO 10 10.284 -5.684 14.124
71 HG2 PRO 10 HG2 PRO 10 9.129 -3.014 14.357
72 HG3 PRO 10 HG3 PRO 10 10.416 -3.599 13.295
73 HD2 PRO 10 HD2 PRO 10 7.918 -2.927 12.392
74 HD3 PRO 10 HD3 PRO 10 8.950 -4.135 11.593
75 HN1 NH2 11 HN1 NH2 11 7.566 -4.943 16.526
76 HN2 NH2 11 HN2 NH2 11 5.984 -4.917 15.911
77 H1 A2G 101 H1 A2G 12 3.033 -15.474 8.832
78 H2 A2G 101 H2 A2G 12 2.508 -15.094 11.203
79 HN2 A2G 101 HN2 A2G 12 3.771 -17.736 10.765
80 H3 A2G 101 H3 A2G 12 1.221 -17.836 11.102
81 HO3 A2G 101 HO3 A2G 12 0.513 -16.846 13.240
82 H4 A2G 101 H4 A2G 12 -0.894 -16.678 11.406
83 HO4 A2G 101 HO4 A2G 12 0.520 -14.801 12.367
84 H5 A2G 101 H5 A2G 12 -0.156 -16.982 9.084
85 H6 A2G 101 H6 A2G 12 -1.134 -14.169 9.017
86 H8 A2G 101 H8 A2G 12 5.720 -17.675 12.936
87 H8A A2G 101 H8A A2G 12 6.755 -16.490 12.142
88 H8B A2G 101 H8B A2G 12 6.031 -17.797 11.205
89 H14 A2G 101 H14 A2G 12 -1.754 -15.593 8.181
90 H15 A2G 101 H15 A2G 12 -2.982 -16.053 9.835
91 H1 A2G 102 H1 A2G 13 7.281 -12.866 4.925
92 H2 A2G 102 H2 A2G 13 7.017 -12.263 2.595
93 HN2 A2G 102 HN2 A2G 13 4.524 -13.493 3.612
94 H3 A2G 102 H3 A2G 13 5.957 -15.069 2.175
95 HO3 A2G 102 HO3 A2G 13 5.219 -13.140 0.905
96 H4 A2G 102 H4 A2G 13 7.993 -15.435 0.877
97 HO4 A2G 102 HO4 A2G 13 9.587 -13.552 1.498
98 H5 A2G 102 H5 A2G 13 8.056 -15.971 3.282
99 H6 A2G 102 H6 A2G 13 10.698 -14.722 3.099
100 H8 A2G 102 H8 A2G 13 2.572 -11.524 2.856
101 H8A A2G 102 H8A A2G 13 3.162 -10.254 3.928
102 H8B A2G 102 H8B A2G 13 3.057 -11.917 4.506
103 H14 A2G 102 H14 A2G 13 10.271 -16.432 3.160
104 H15 A2G 102 H15 A2G 13 11.255 -15.544 1.148
105 H1 A2G 103 H1 A2G 14 7.203 -9.552 10.165
106 H2 A2G 103 H2 A2G 14 9.030 -9.520 11.809
107 HN2 A2G 103 HN2 A2G 14 9.236 -11.845 9.987
108 H3 A2G 103 H3 A2G 14 8.297 -12.417 12.310
109 HO3 A2G 103 HO3 A2G 14 10.337 -12.329 12.845
110 H4 A2G 103 H4 A2G 14 7.552 -11.683 14.503
111 HO4 A2G 103 HO4 A2G 14 7.687 -9.001 13.867
112 H5 A2G 103 H5 A2G 14 5.872 -11.608 12.714
113 H6 A2G 103 H6 A2G 14 5.324 -9.017 14.057
114 H8 A2G 103 H8 A2G 14 12.080 -11.594 9.224
115 H8A A2G 103 H8A A2G 14 11.758 -10.178 8.224
116 H8B A2G 103 H8B A2G 14 10.635 -11.538 8.214
117 H14 A2G 103 H14 A2G 14 4.333 -10.473 13.978
118 H15 A2G 103 H15 A2G 14 5.732 -11.421 15.504
119 H1 A2G 104 H1 A2G 15 6.256 -5.844 5.696
120 H2 A2G 104 H2 A2G 15 4.202 -5.021 4.602
121 HN2 A2G 104 HN2 A2G 15 3.648 -7.058 6.679
122 H3 A2G 104 H3 A2G 15 3.565 -7.964 4.254
123 HO3 A2G 104 HO3 A2G 15 1.680 -6.938 4.445
124 H4 A2G 104 H4 A2G 15 3.827 -7.560 1.873
125 HO4 A2G 104 HO4 A2G 15 4.975 -5.120 2.017
126 H5 A2G 104 H5 A2G 15 5.876 -8.178 3.060
127 H6 A2G 104 H6 A2G 15 7.008 -5.997 1.436
128 H8 A2G 104 H8 A2G 15 1.304 -5.655 7.870
129 H8A A2G 104 H8A A2G 15 2.368 -4.585 8.783
130 H8B A2G 104 H8B A2G 15 2.767 -6.295 8.621
131 H14 A2G 104 H14 A2G 15 7.192 -7.742 1.255
132 H15 A2G 104 H15 A2G 15 5.958 -7.328 -0.421
Start of MODEL 12
1 H1 ACE 1 H1 ACE 1 -1.882 -23.383 6.702
2 H2 ACE 1 H2 ACE 1 -2.704 -21.880 6.282
3 H3 ACE 1 H3 ACE 1 -3.209 -22.795 7.703
4 HA PRO 2 HA PRO 2 -0.613 -20.742 10.567
5 HB2 PRO 2 HB2 PRO 2 1.266 -22.865 11.078
6 HB3 PRO 2 HB3 PRO 2 -0.099 -22.347 12.078
7 HG2 PRO 2 HG2 PRO 2 0.109 -24.606 10.241
8 HG3 PRO 2 HG3 PRO 2 -1.042 -24.319 11.554
9 HD2 PRO 2 HD2 PRO 2 -1.733 -24.205 8.906
10 HD3 PRO 2 HD3 PRO 2 -2.563 -23.266 10.169
11 HA PRO 3 HA PRO 3 3.870 -21.605 8.587
12 HB2 PRO 3 HB2 PRO 3 3.207 -22.420 5.905
13 HB3 PRO 3 HB3 PRO 3 4.141 -23.306 7.118
14 HG2 PRO 3 HG2 PRO 3 1.350 -23.625 6.321
15 HG3 PRO 3 HG3 PRO 3 2.416 -24.746 7.183
16 HD2 PRO 3 HD2 PRO 3 0.324 -23.447 8.384
17 HD3 PRO 3 HD3 PRO 3 1.786 -23.957 9.261
18 H THR 4 H THR 4 3.676 -19.319 8.739
19 HA THR 4 HA THR 4 3.334 -18.004 6.142
20 HB THR 4 HB THR 4 1.968 -16.199 7.188
21 HG21 THR 4 HG21 THR 4 -0.055 -17.324 6.895
22 HG22 THR 4 HG22 THR 4 0.533 -18.790 7.680
23 HG23 THR 4 HG23 THR 4 1.065 -18.391 6.046
24 H THR 5 H THR 5 4.593 -16.180 5.883
25 HA THR 5 HA THR 5 6.553 -15.697 8.035
26 HB THR 5 HB THR 5 7.983 -14.765 6.244
27 HG21 THR 5 HG21 THR 5 8.744 -16.853 5.859
28 HG22 THR 5 HG22 THR 5 7.311 -17.259 4.914
29 HG23 THR 5 HG23 THR 5 7.296 -17.451 6.667
30 H THR 6 H THR 6 6.904 -13.666 8.834
31 HA THR 6 HA THR 6 4.934 -11.616 8.048
32 HB THR 6 HB THR 6 5.341 -10.627 10.248
33 HG21 THR 6 HG21 THR 6 4.044 -12.146 11.364
34 HG22 THR 6 HG22 THR 6 5.116 -13.493 10.981
35 HG23 THR 6 HG23 THR 6 3.965 -12.913 9.778
36 H THR 7 H THR 7 5.579 -9.793 7.083
37 HA THR 7 HA THR 7 8.471 -9.345 6.766
38 HB THR 7 HB THR 7 7.870 -7.954 4.856
39 HG21 THR 7 HG21 THR 7 7.850 -10.550 4.761
40 HG22 THR 7 HG22 THR 7 7.122 -9.666 3.420
41 HG23 THR 7 HG23 THR 7 6.097 -10.383 4.663
42 H LYS 8 H LYS 8 9.440 -7.768 7.860
43 HA LYS 8 HA LYS 8 9.715 -6.006 9.323
44 HB2 LYS 8 HB2 LYS 8 8.602 -5.101 6.914
45 HB3 LYS 8 HB3 LYS 8 7.699 -4.273 8.183
46 HG2 LYS 8 HG2 LYS 8 9.883 -3.639 9.244
47 HG3 LYS 8 HG3 LYS 8 10.710 -4.333 7.850
48 HD2 LYS 8 HD2 LYS 8 9.725 -2.742 6.356
49 HD3 LYS 8 HD3 LYS 8 8.594 -2.187 7.591
50 HE2 LYS 8 HE2 LYS 8 10.402 -0.567 7.400
51 HE3 LYS 8 HE3 LYS 8 10.542 -1.397 8.951
52 HZ1 LYS 8 HZ1 LYS 8 12.488 -1.185 7.042
53 HZ2 LYS 8 HZ2 LYS 8 11.922 -2.779 6.873
54 HZ3 LYS 8 HZ3 LYS 8 12.500 -2.233 8.375
55 H LYS 9 H LYS 9 8.272 -4.181 10.523
56 HA LYS 9 HA LYS 9 5.647 -4.857 11.313
57 HB2 LYS 9 HB2 LYS 9 7.579 -6.549 12.447
58 HB3 LYS 9 HB3 LYS 9 7.154 -5.403 13.719
59 HG2 LYS 9 HG2 LYS 9 5.182 -7.030 12.087
60 HG3 LYS 9 HG3 LYS 9 5.650 -7.361 13.754
61 HD2 LYS 9 HD2 LYS 9 4.938 -4.721 13.910
62 HD3 LYS 9 HD3 LYS 9 3.811 -5.314 12.690
63 HE2 LYS 9 HE2 LYS 9 4.241 -6.512 15.443
64 HE3 LYS 9 HE3 LYS 9 2.840 -5.573 14.930
65 HZ1 LYS 9 HZ1 LYS 9 2.518 -8.016 14.842
66 HZ2 LYS 9 HZ2 LYS 9 3.707 -8.095 13.630
67 HZ3 LYS 9 HZ3 LYS 9 2.264 -7.241 13.355
68 HA PRO 10 HA PRO 10 7.984 -0.770 12.436
69 HB2 PRO 10 HB2 PRO 10 5.806 0.538 11.079
70 HB3 PRO 10 HB3 PRO 10 7.522 0.532 10.644
71 HG2 PRO 10 HG2 PRO 10 5.318 -1.033 9.541
72 HG3 PRO 10 HG3 PRO 10 6.914 -0.691 8.858
73 HD2 PRO 10 HD2 PRO 10 6.181 -3.163 9.785
74 HD3 PRO 10 HD3 PRO 10 7.862 -2.583 9.785
75 HN1 NH2 11 HN1 NH2 11 4.127 -1.324 13.060
76 HN2 NH2 11 HN2 NH2 11 4.359 0.315 12.685
77 H1 A2G 101 H1 A2G 12 2.761 -15.341 9.114
78 H2 A2G 101 H2 A2G 12 2.073 -14.954 11.440
79 HN2 A2G 101 HN2 A2G 12 3.333 -17.613 11.102
80 H3 A2G 101 H3 A2G 12 0.770 -17.684 11.248
81 HO3 A2G 101 HO3 A2G 12 0.726 -17.534 13.324
82 H4 A2G 101 H4 A2G 12 -1.350 -16.506 11.401
83 HO4 A2G 101 HO4 A2G 12 -1.456 -14.374 11.702
84 H5 A2G 101 H5 A2G 12 -0.452 -16.819 9.137
85 H6 A2G 101 H6 A2G 12 -1.420 -13.986 9.077
86 H8 A2G 101 H8 A2G 12 5.105 -17.881 12.911
87 H8A A2G 101 H8A A2G 12 6.089 -16.424 13.047
88 H8B A2G 101 H8B A2G 12 5.901 -17.219 11.484
89 H14 A2G 101 H14 A2G 12 -1.919 -15.360 8.089
90 H15 A2G 101 H15 A2G 12 -2.489 -15.007 10.845
91 H1 A2G 102 H1 A2G 13 6.864 -13.023 5.151
92 H2 A2G 102 H2 A2G 13 6.488 -12.356 2.815
93 HN2 A2G 102 HN2 A2G 13 4.310 -14.095 3.814
94 H3 A2G 102 H3 A2G 13 6.001 -15.304 2.310
95 HO3 A2G 102 HO3 A2G 13 6.394 -13.596 0.222
96 H4 A2G 102 H4 A2G 13 8.059 -15.259 1.020
97 HO4 A2G 102 HO4 A2G 13 9.317 -13.185 1.408
98 H5 A2G 102 H5 A2G 13 8.300 -15.749 3.413
99 H6 A2G 102 H6 A2G 13 10.553 -13.843 2.912
100 H8 A2G 102 H8 A2G 13 1.996 -12.598 3.079
101 H8A A2G 102 H8A A2G 13 2.282 -11.216 4.135
102 H8B A2G 102 H8B A2G 13 2.540 -12.853 4.737
103 H14 A2G 102 H14 A2G 13 10.604 -15.515 3.472
104 H15 A2G 102 H15 A2G 13 10.069 -16.175 1.374
105 H1 A2G 103 H1 A2G 14 7.547 -9.953 10.562
106 H2 A2G 103 H2 A2G 14 9.241 -10.198 12.325
107 HN2 A2G 103 HN2 A2G 14 9.430 -12.363 10.313
108 H3 A2G 103 H3 A2G 14 8.282 -13.068 12.503
109 HO3 A2G 103 HO3 A2G 14 10.487 -11.690 13.332
110 H4 A2G 103 H4 A2G 14 7.423 -12.476 14.698
111 HO4 A2G 103 HO4 A2G 14 8.175 -9.814 14.100
112 H5 A2G 103 H5 A2G 14 5.891 -12.124 12.811
113 H6 A2G 103 H6 A2G 14 5.294 -9.630 14.231
114 H8 A2G 103 H8 A2G 14 12.390 -12.182 9.763
115 H8A A2G 103 H8A A2G 14 12.101 -10.712 8.832
116 H8B A2G 103 H8B A2G 14 10.975 -12.065 8.717
117 H14 A2G 103 H14 A2G 14 4.365 -11.128 14.160
118 H15 A2G 103 H15 A2G 14 6.700 -10.765 15.723
119 H1 A2G 104 H1 A2G 15 6.684 -6.129 5.588
120 H2 A2G 104 H2 A2G 15 4.637 -4.902 5.001
121 HN2 A2G 104 HN2 A2G 15 4.104 -7.057 6.960
122 H3 A2G 104 H3 A2G 15 3.422 -7.641 4.550
123 HO3 A2G 104 HO3 A2G 15 2.214 -5.658 5.346
124 H4 A2G 104 H4 A2G 15 3.346 -7.043 2.195
125 HO4 A2G 104 HO4 A2G 15 4.581 -5.056 1.655
126 H5 A2G 104 H5 A2G 15 5.409 -8.130 2.965
127 H6 A2G 104 H6 A2G 15 6.410 -5.926 1.196
128 H8 A2G 104 H8 A2G 15 2.484 -5.635 8.857
129 H8A A2G 104 H8A A2G 15 3.771 -4.599 9.473
130 H8B A2G 104 H8B A2G 15 4.083 -6.309 9.174
131 H14 A2G 104 H14 A2G 15 6.666 -7.666 1.064
132 H15 A2G 104 H15 A2G 15 5.065 -7.668 -0.265
Start of MODEL 13
1 H1 ACE 1 H1 ACE 1 -1.117 -19.485 11.550
2 H2 ACE 1 H2 ACE 1 -0.217 -20.334 12.807
3 H3 ACE 1 H3 ACE 1 -1.721 -21.013 12.188
4 HA PRO 2 HA PRO 2 0.046 -23.447 9.010
5 HB2 PRO 2 HB2 PRO 2 -0.723 -21.865 6.727
6 HB3 PRO 2 HB3 PRO 2 -1.470 -23.352 7.329
7 HG2 PRO 2 HG2 PRO 2 -2.297 -20.570 7.693
8 HG3 PRO 2 HG3 PRO 2 -3.235 -22.061 7.864
9 HD2 PRO 2 HD2 PRO 2 -2.497 -20.534 10.002
10 HD3 PRO 2 HD3 PRO 2 -2.706 -22.297 10.108
11 HA PRO 3 HA PRO 3 4.055 -22.079 7.863
12 HB2 PRO 3 HB2 PRO 3 3.864 -22.665 5.051
13 HB3 PRO 3 HB3 PRO 3 4.668 -23.608 6.314
14 HG2 PRO 3 HG2 PRO 3 2.079 -24.031 5.048
15 HG3 PRO 3 HG3 PRO 3 3.068 -25.149 5.996
16 HD2 PRO 3 HD2 PRO 3 0.706 -24.062 6.896
17 HD3 PRO 3 HD3 PRO 3 2.010 -24.614 7.969
18 H THR 4 H THR 4 3.911 -19.846 8.109
19 HA THR 4 HA THR 4 3.670 -18.330 5.611
20 HB THR 4 HB THR 4 2.255 -16.621 6.745
21 HG21 THR 4 HG21 THR 4 1.421 -18.714 5.381
22 HG22 THR 4 HG22 THR 4 0.257 -17.707 6.241
23 HG23 THR 4 HG23 THR 4 0.796 -19.231 6.946
24 H THR 5 H THR 5 4.750 -16.312 5.654
25 HA THR 5 HA THR 5 6.741 -16.107 7.821
26 HB THR 5 HB THR 5 8.082 -14.805 6.205
27 HG21 THR 5 HG21 THR 5 7.520 -17.555 6.146
28 HG22 THR 5 HG22 THR 5 8.927 -16.755 5.448
29 HG23 THR 5 HG23 THR 5 7.498 -17.049 4.456
30 H THR 6 H THR 6 7.012 -14.230 8.959
31 HA THR 6 HA THR 6 4.919 -12.187 8.582
32 HB THR 6 HB THR 6 5.269 -11.593 10.919
33 HG21 THR 6 HG21 THR 6 4.332 -13.487 11.879
34 HG22 THR 6 HG22 THR 6 5.429 -14.584 11.039
35 HG23 THR 6 HG23 THR 6 4.079 -13.851 10.172
36 H THR 7 H THR 7 5.446 -10.181 7.932
37 HA THR 7 HA THR 7 8.310 -9.561 7.644
38 HB THR 7 HB THR 7 7.549 -7.821 6.059
39 HG21 THR 7 HG21 THR 7 6.093 -10.352 5.339
40 HG22 THR 7 HG22 THR 7 7.850 -10.351 5.483
41 HG23 THR 7 HG23 THR 7 7.061 -9.301 4.307
42 H LYS 8 H LYS 8 9.116 -7.489 8.239
43 HA LYS 8 HA LYS 8 7.967 -6.497 10.704
44 HB2 LYS 8 HB2 LYS 8 10.528 -6.317 9.305
45 HB3 LYS 8 HB3 LYS 8 10.034 -4.787 10.029
46 HG2 LYS 8 HG2 LYS 8 9.940 -7.394 11.555
47 HG3 LYS 8 HG3 LYS 8 11.371 -6.362 11.539
48 HD2 LYS 8 HD2 LYS 8 10.438 -4.875 12.963
49 HD3 LYS 8 HD3 LYS 8 8.915 -4.864 12.073
50 HE2 LYS 8 HE2 LYS 8 9.724 -7.150 13.881
51 HE3 LYS 8 HE3 LYS 8 8.795 -5.766 14.458
52 HZ1 LYS 8 HZ1 LYS 8 7.376 -7.619 13.774
53 HZ2 LYS 8 HZ2 LYS 8 8.006 -7.525 12.200
54 HZ3 LYS 8 HZ3 LYS 8 7.099 -6.235 12.834
55 H LYS 9 H LYS 9 6.654 -4.803 10.917
56 HA LYS 9 HA LYS 9 5.554 -3.450 8.695
57 HB2 LYS 9 HB2 LYS 9 4.052 -2.816 10.232
58 HB3 LYS 9 HB3 LYS 9 5.028 -3.630 11.455
59 HG2 LYS 9 HG2 LYS 9 6.393 -1.558 11.700
60 HG3 LYS 9 HG3 LYS 9 5.322 -0.750 10.555
61 HD2 LYS 9 HD2 LYS 9 4.101 -2.127 12.918
62 HD3 LYS 9 HD3 LYS 9 4.889 -0.569 13.166
63 HE2 LYS 9 HE2 LYS 9 2.710 -1.119 11.130
64 HE3 LYS 9 HE3 LYS 9 2.480 -0.291 12.670
65 HZ1 LYS 9 HZ1 LYS 9 2.760 1.369 11.038
66 HZ2 LYS 9 HZ2 LYS 9 4.112 0.595 10.361
67 HZ3 LYS 9 HZ3 LYS 9 4.222 1.312 11.897
68 HA PRO 10 HA PRO 10 8.191 -0.164 7.560
69 HB2 PRO 10 HB2 PRO 10 6.362 1.970 8.194
70 HB3 PRO 10 HB3 PRO 10 6.741 1.287 6.605
71 HG2 PRO 10 HG2 PRO 10 4.446 0.796 8.343
72 HG3 PRO 10 HG3 PRO 10 4.640 0.488 6.610
73 HD2 PRO 10 HD2 PRO 10 4.539 -1.508 8.486
74 HD3 PRO 10 HD3 PRO 10 5.413 -1.663 6.946
75 HN1 NH2 11 HN1 NH2 11 9.957 1.117 9.788
76 HN2 NH2 11 HN2 NH2 11 9.070 2.299 8.952
77 H1 A2G 101 H1 A2G 12 2.780 -15.869 8.813
78 H2 A2G 101 H2 A2G 12 1.903 -15.731 11.081
79 HN2 A2G 101 HN2 A2G 12 3.287 -18.313 10.655
80 H3 A2G 101 H3 A2G 12 0.717 -18.469 10.558
81 HO3 A2G 101 HO3 A2G 12 -0.108 -18.184 12.626
82 H4 A2G 101 H4 A2G 12 -1.445 -17.340 10.689
83 HO4 A2G 101 HO4 A2G 12 0.122 -15.350 11.636
84 H5 A2G 101 H5 A2G 12 -0.394 -17.514 8.479
85 H6 A2G 101 H6 A2G 12 -1.406 -14.708 8.458
86 H8 A2G 101 H8 A2G 12 4.973 -18.366 13.030
87 H8A A2G 101 H8A A2G 12 6.031 -17.070 12.470
88 H8B A2G 101 H8B A2G 12 5.489 -18.314 11.343
89 H14 A2G 101 H14 A2G 12 -1.861 -16.072 7.437
90 H15 A2G 101 H15 A2G 12 -2.819 -15.298 9.919
91 H1 A2G 102 H1 A2G 13 6.828 -12.947 5.445
92 H2 A2G 102 H2 A2G 13 6.401 -11.918 3.253
93 HN2 A2G 102 HN2 A2G 13 4.333 -13.922 3.943
94 H3 A2G 102 H3 A2G 13 6.086 -14.767 2.269
95 HO3 A2G 102 HO3 A2G 13 5.537 -13.844 0.404
96 H4 A2G 102 H4 A2G 13 8.123 -14.379 1.001
97 HO4 A2G 102 HO4 A2G 13 7.927 -12.168 0.679
98 H5 A2G 102 H5 A2G 13 8.427 -15.245 3.276
99 H6 A2G 102 H6 A2G 13 10.563 -13.187 3.225
100 H8 A2G 102 H8 A2G 13 1.907 -12.294 3.499
101 H8A A2G 102 H8A A2G 13 2.218 -11.316 4.933
102 H8B A2G 102 H8B A2G 13 2.498 -13.057 4.976
103 H14 A2G 102 H14 A2G 13 10.698 -14.944 3.268
104 H15 A2G 102 H15 A2G 13 10.699 -13.243 1.143
105 H1 A2G 103 H1 A2G 14 7.424 -10.696 11.123
106 H2 A2G 103 H2 A2G 14 9.284 -10.910 12.714
107 HN2 A2G 103 HN2 A2G 14 9.518 -12.862 10.498
108 H3 A2G 103 H3 A2G 14 8.642 -13.871 12.686
109 HO3 A2G 103 HO3 A2G 14 10.216 -13.109 14.660
110 H4 A2G 103 H4 A2G 14 7.924 -13.576 14.989
111 HO4 A2G 103 HO4 A2G 14 9.018 -11.066 14.554
112 H5 A2G 103 H5 A2G 14 6.205 -13.228 13.270
113 H6 A2G 103 H6 A2G 14 5.534 -10.948 15.013
114 H8 A2G 103 H8 A2G 14 12.435 -12.292 9.862
115 H8A A2G 103 H8A A2G 14 11.895 -10.875 8.960
116 H8B A2G 103 H8B A2G 14 10.972 -12.375 8.881
117 H14 A2G 103 H14 A2G 14 4.687 -12.478 14.792
118 H15 A2G 103 H15 A2G 14 6.275 -13.453 16.117
119 H1 A2G 104 H1 A2G 15 6.103 -6.349 7.151
120 H2 A2G 104 H2 A2G 15 3.925 -5.305 6.723
121 HN2 A2G 104 HN2 A2G 15 3.612 -7.898 8.120
122 H3 A2G 104 H3 A2G 15 3.105 -8.008 5.622
123 HO3 A2G 104 HO3 A2G 15 1.507 -6.694 6.687
124 H4 A2G 104 H4 A2G 15 3.029 -6.927 3.447
125 HO4 A2G 104 HO4 A2G 15 2.544 -4.826 4.326
126 H5 A2G 104 H5 A2G 15 5.188 -7.901 4.102
127 H6 A2G 104 H6 A2G 15 5.969 -5.275 2.891
128 H8 A2G 104 H8 A2G 15 1.813 -6.942 10.164
129 H8A A2G 104 H8A A2G 15 3.032 -6.140 11.153
130 H8B A2G 104 H8B A2G 15 3.357 -7.737 10.477
131 H14 A2G 104 H14 A2G 15 6.424 -6.908 2.405
132 H15 A2G 104 H15 A2G 15 4.682 -7.063 1.230
Start of MODEL 14
1 H1 ACE 1 H1 ACE 1 -4.283 -23.644 8.161
2 H2 ACE 1 H2 ACE 1 -3.911 -21.926 8.016
3 H3 ACE 1 H3 ACE 1 -4.043 -22.669 9.610
4 HA PRO 2 HA PRO 2 0.070 -24.288 7.731
5 HB2 PRO 2 HB2 PRO 2 0.660 -22.837 5.312
6 HB3 PRO 2 HB3 PRO 2 0.338 -24.567 5.501
7 HG2 PRO 2 HG2 PRO 2 -1.308 -22.757 4.217
8 HG3 PRO 2 HG3 PRO 2 -1.793 -24.350 4.816
9 HD2 PRO 2 HD2 PRO 2 -2.296 -21.660 6.003
10 HD3 PRO 2 HD3 PRO 2 -3.277 -23.141 6.096
11 HA PRO 3 HA PRO 3 2.819 -21.342 9.475
12 HB2 PRO 3 HB2 PRO 3 4.863 -21.472 7.448
13 HB3 PRO 3 HB3 PRO 3 4.852 -22.239 9.043
14 HG2 PRO 3 HG2 PRO 3 4.254 -23.383 6.421
15 HG3 PRO 3 HG3 PRO 3 4.689 -24.191 7.935
16 HD2 PRO 3 HD2 PRO 3 2.177 -24.301 6.857
17 HD3 PRO 3 HD3 PRO 3 2.486 -24.411 8.606
18 H THR 4 H THR 4 3.602 -19.178 9.237
19 HA THR 4 HA THR 4 3.107 -17.832 6.680
20 HB THR 4 HB THR 4 1.797 -16.047 7.797
21 HG21 THR 4 HG21 THR 4 0.830 -18.274 6.770
22 HG22 THR 4 HG22 THR 4 -0.232 -17.182 7.660
23 HG23 THR 4 HG23 THR 4 0.409 -18.625 8.446
24 H THR 5 H THR 5 4.513 -16.198 6.292
25 HA THR 5 HA THR 5 6.462 -15.594 8.423
26 HB THR 5 HB THR 5 8.005 -14.993 6.651
27 HG21 THR 5 HG21 THR 5 8.485 -17.168 6.318
28 HG22 THR 5 HG22 THR 5 7.071 -17.366 5.281
29 HG23 THR 5 HG23 THR 5 6.919 -17.566 7.027
30 H THR 6 H THR 6 6.895 -13.510 9.026
31 HA THR 6 HA THR 6 5.015 -11.470 8.026
32 HB THR 6 HB THR 6 5.381 -10.311 10.128
33 HG21 THR 6 HG21 THR 6 4.283 -11.822 11.555
34 HG22 THR 6 HG22 THR 6 5.148 -13.212 10.899
35 HG23 THR 6 HG23 THR 6 3.881 -12.434 9.951
36 H THR 7 H THR 7 5.795 -9.301 7.700
37 HA THR 7 HA THR 7 8.700 -9.043 7.309
38 HB THR 7 HB THR 7 8.381 -8.069 5.090
39 HG21 THR 7 HG21 THR 7 6.850 -10.676 5.223
40 HG22 THR 7 HG22 THR 7 8.602 -10.583 5.406
41 HG23 THR 7 HG23 THR 7 7.844 -10.079 3.895
42 H LYS 8 H LYS 8 9.402 -7.244 8.250
43 HA LYS 8 HA LYS 8 9.500 -5.054 8.965
44 HB2 LYS 8 HB2 LYS 8 8.094 -4.794 6.708
45 HB3 LYS 8 HB3 LYS 8 6.821 -4.377 7.856
46 HG2 LYS 8 HG2 LYS 8 8.322 -2.692 8.887
47 HG3 LYS 8 HG3 LYS 8 9.560 -3.085 7.694
48 HD2 LYS 8 HD2 LYS 8 8.268 -2.235 5.901
49 HD3 LYS 8 HD3 LYS 8 6.786 -2.241 6.858
50 HE2 LYS 8 HE2 LYS 8 8.155 0.009 6.453
51 HE3 LYS 8 HE3 LYS 8 7.341 -0.301 7.986
52 HZ1 LYS 8 HZ1 LYS 8 10.051 -1.333 7.691
53 HZ2 LYS 8 HZ2 LYS 8 9.281 -0.675 9.054
54 HZ3 LYS 8 HZ3 LYS 8 9.889 0.349 7.842
55 H LYS 9 H LYS 9 8.341 -3.551 10.473
56 HA LYS 9 HA LYS 9 7.245 -4.988 12.643
57 HB2 LYS 9 HB2 LYS 9 7.669 -2.117 11.975
58 HB3 LYS 9 HB3 LYS 9 6.528 -2.491 13.268
59 HG2 LYS 9 HG2 LYS 9 8.238 -3.826 14.420
60 HG3 LYS 9 HG3 LYS 9 9.381 -3.509 13.114
61 HD2 LYS 9 HD2 LYS 9 9.140 -1.053 13.583
62 HD3 LYS 9 HD3 LYS 9 8.156 -1.466 14.987
63 HE2 LYS 9 HE2 LYS 9 11.002 -2.409 14.528
64 HE3 LYS 9 HE3 LYS 9 10.536 -1.087 15.598
65 HZ1 LYS 9 HZ1 LYS 9 8.980 -3.391 16.132
66 HZ2 LYS 9 HZ2 LYS 9 10.008 -2.528 17.174
67 HZ3 LYS 9 HZ3 LYS 9 10.629 -3.780 16.208
68 HA PRO 10 HA PRO 10 2.960 -5.519 12.006
69 HB2 PRO 10 HB2 PRO 10 2.093 -3.921 14.241
70 HB3 PRO 10 HB3 PRO 10 2.196 -5.684 14.130
71 HG2 PRO 10 HG2 PRO 10 4.027 -3.788 15.388
72 HG3 PRO 10 HG3 PRO 10 3.865 -5.534 15.630
73 HD2 PRO 10 HD2 PRO 10 6.001 -4.390 14.348
74 HD3 PRO 10 HD3 PRO 10 5.427 -6.038 14.003
75 HN1 NH2 11 HN1 NH2 11 1.563 -2.891 10.313
76 HN2 NH2 11 HN2 NH2 11 2.773 -4.042 10.012
77 H1 A2G 101 H1 A2G 12 2.781 -15.180 9.663
78 H2 A2G 101 H2 A2G 12 2.229 -14.720 12.003
79 HN2 A2G 101 HN2 A2G 12 3.339 -17.445 11.687
80 H3 A2G 101 H3 A2G 12 0.799 -17.393 11.959
81 HO3 A2G 101 HO3 A2G 12 0.440 -15.553 13.978
82 H4 A2G 101 H4 A2G 12 -1.260 -16.120 12.168
83 HO4 A2G 101 HO4 A2G 12 0.562 -14.017 12.413
84 H5 A2G 101 H5 A2G 12 -0.476 -16.551 9.879
85 H6 A2G 101 H6 A2G 12 -1.342 -13.692 9.738
86 H8 A2G 101 H8 A2G 12 5.351 -17.623 13.295
87 H8A A2G 101 H8A A2G 12 6.412 -16.231 13.078
88 H8B A2G 101 H8B A2G 12 5.947 -17.209 11.686
89 H14 A2G 101 H14 A2G 12 -1.954 -15.092 8.858
90 H15 A2G 101 H15 A2G 12 -3.011 -13.989 10.958
91 H1 A2G 102 H1 A2G 13 7.206 -13.135 5.549
92 H2 A2G 102 H2 A2G 13 6.900 -12.368 3.236
93 HN2 A2G 102 HN2 A2G 13 4.501 -13.791 4.232
94 H3 A2G 102 H3 A2G 13 5.974 -15.198 2.674
95 HO3 A2G 102 HO3 A2G 13 6.376 -12.926 1.025
96 H4 A2G 102 H4 A2G 13 8.000 -15.430 1.354
97 HO4 A2G 102 HO4 A2G 13 9.175 -13.764 0.847
98 H5 A2G 102 H5 A2G 13 8.190 -16.007 3.734
99 H6 A2G 102 H6 A2G 13 10.730 -14.553 3.487
100 H8 A2G 102 H8 A2G 13 2.527 -11.645 3.208
101 H8A A2G 102 H8A A2G 13 2.849 -10.821 4.735
102 H8B A2G 102 H8B A2G 13 2.713 -12.580 4.692
103 H14 A2G 102 H14 A2G 13 10.436 -16.291 3.561
104 H15 A2G 102 H15 A2G 13 9.960 -14.680 1.278
105 H1 A2G 103 H1 A2G 14 7.578 -9.618 10.226
106 H2 A2G 103 H2 A2G 14 9.427 -9.616 11.844
107 HN2 A2G 103 HN2 A2G 14 9.435 -12.061 10.170
108 H3 A2G 103 H3 A2G 14 8.494 -12.415 12.539
109 HO3 A2G 103 HO3 A2G 14 10.806 -11.711 12.624
110 H4 A2G 103 H4 A2G 14 7.842 -11.488 14.689
111 HO4 A2G 103 HO4 A2G 14 8.308 -9.482 15.248
112 H5 A2G 103 H5 A2G 14 6.142 -11.409 12.919
113 H6 A2G 103 H6 A2G 14 5.926 -8.709 14.207
114 H8 A2G 103 H8 A2G 14 12.149 -12.271 9.580
115 H8A A2G 103 H8A A2G 14 12.364 -10.848 8.559
116 H8B A2G 103 H8B A2G 14 10.967 -11.900 8.324
117 H14 A2G 103 H14 A2G 14 4.695 -9.958 14.019
118 H15 A2G 103 H15 A2G 14 6.203 -11.191 15.491
119 H1 A2G 104 H1 A2G 15 7.038 -6.262 5.222
120 H2 A2G 104 H2 A2G 15 5.027 -5.295 4.186
121 HN2 A2G 104 HN2 A2G 15 4.339 -7.072 6.454
122 H3 A2G 104 H3 A2G 15 3.992 -8.142 4.143
123 HO3 A2G 104 HO3 A2G 15 2.657 -6.388 2.649
124 H4 A2G 104 H4 A2G 15 4.166 -7.994 1.723
125 HO4 A2G 104 HO4 A2G 15 4.786 -6.171 0.730
126 H5 A2G 104 H5 A2G 15 6.171 -8.784 2.897
127 H6 A2G 104 H6 A2G 15 7.064 -6.833 0.763
128 H8 A2G 104 H8 A2G 15 3.311 -6.079 8.221
129 H8A A2G 104 H8A A2G 15 3.111 -4.327 8.238
130 H8B A2G 104 H8B A2G 15 4.688 -5.038 8.582
131 H14 A2G 104 H14 A2G 15 7.761 -8.404 1.152
132 H15 A2G 104 H15 A2G 15 6.386 -8.417 -0.712
Start of MODEL 15
1 H1 ACE 1 H1 ACE 1 -1.651 -25.746 5.236
2 H2 ACE 1 H2 ACE 1 -2.047 -24.081 5.665
3 H3 ACE 1 H3 ACE 1 -2.032 -25.332 6.908
4 HA PRO 2 HA PRO 2 2.677 -25.174 5.554
5 HB2 PRO 2 HB2 PRO 2 2.931 -22.771 3.986
6 HB3 PRO 2 HB3 PRO 2 3.277 -24.438 3.500
7 HG2 PRO 2 HG2 PRO 2 0.936 -22.785 2.943
8 HG3 PRO 2 HG3 PRO 2 1.504 -24.251 2.130
9 HD2 PRO 2 HD2 PRO 2 -0.733 -24.188 3.709
10 HD3 PRO 2 HD3 PRO 2 0.259 -25.646 3.489
11 HA PRO 3 HA PRO 3 3.660 -22.038 8.495
12 HB2 PRO 3 HB2 PRO 3 6.202 -21.232 7.402
13 HB3 PRO 3 HB3 PRO 3 5.887 -22.372 8.719
14 HG2 PRO 3 HG2 PRO 3 6.899 -23.028 6.234
15 HG3 PRO 3 HG3 PRO 3 6.157 -24.157 7.376
16 HD2 PRO 3 HD2 PRO 3 5.001 -22.948 4.908
17 HD3 PRO 3 HD3 PRO 3 4.660 -24.521 5.664
18 H THR 4 H THR 4 2.999 -19.988 8.806
19 HA THR 4 HA THR 4 2.870 -18.182 6.500
20 HB THR 4 HB THR 4 1.344 -16.857 7.886
21 HG21 THR 4 HG21 THR 4 -0.423 -18.279 7.579
22 HG22 THR 4 HG22 THR 4 0.358 -19.597 8.453
23 HG23 THR 4 HG23 THR 4 0.796 -19.270 6.776
24 H THR 5 H THR 5 3.929 -16.255 6.386
25 HA THR 5 HA THR 5 5.950 -15.755 8.478
26 HB THR 5 HB THR 5 7.213 -14.571 6.781
27 HG21 THR 5 HG21 THR 5 6.287 -16.916 5.198
28 HG22 THR 5 HG22 THR 5 6.888 -17.241 6.824
29 HG23 THR 5 HG23 THR 5 7.924 -16.438 5.644
30 H THR 6 H THR 6 6.108 -13.783 9.471
31 HA THR 6 HA THR 6 3.854 -11.935 9.016
32 HB THR 6 HB THR 6 4.174 -11.187 11.288
33 HG21 THR 6 HG21 THR 6 3.081 -13.478 10.791
34 HG22 THR 6 HG22 THR 6 3.574 -13.157 12.454
35 HG23 THR 6 HG23 THR 6 4.574 -14.175 11.417
36 H THR 7 H THR 7 4.307 -9.617 9.279
37 HA THR 7 HA THR 7 7.080 -8.846 8.663
38 HB THR 7 HB THR 7 6.401 -7.465 6.805
39 HG21 THR 7 HG21 THR 7 6.731 -9.958 6.442
40 HG22 THR 7 HG22 THR 7 5.744 -9.150 5.223
41 HG23 THR 7 HG23 THR 7 4.975 -10.116 6.483
42 H LYS 8 H LYS 8 7.496 -6.558 9.001
43 HA LYS 8 HA LYS 8 5.506 -4.949 10.346
44 HB2 LYS 8 HB2 LYS 8 6.774 -4.728 12.448
45 HB3 LYS 8 HB3 LYS 8 6.235 -6.389 12.196
46 HG2 LYS 8 HG2 LYS 8 8.404 -6.942 12.574
47 HG3 LYS 8 HG3 LYS 8 8.671 -6.386 10.922
48 HD2 LYS 8 HD2 LYS 8 10.247 -5.126 12.098
49 HD3 LYS 8 HD3 LYS 8 8.874 -4.020 12.048
50 HE2 LYS 8 HE2 LYS 8 8.173 -4.775 14.287
51 HE3 LYS 8 HE3 LYS 8 9.535 -5.893 14.339
52 HZ1 LYS 8 HZ1 LYS 8 10.232 -3.986 15.482
53 HZ2 LYS 8 HZ2 LYS 8 9.602 -2.934 14.305
54 HZ3 LYS 8 HZ3 LYS 8 10.974 -3.876 13.962
55 H LYS 9 H LYS 9 5.913 -2.845 10.002
56 HA LYS 9 HA LYS 9 6.994 -1.215 8.637
57 HB2 LYS 9 HB2 LYS 9 7.160 -0.760 11.128
58 HB3 LYS 9 HB3 LYS 9 8.798 -1.410 11.053
59 HG2 LYS 9 HG2 LYS 9 9.327 0.264 9.268
60 HG3 LYS 9 HG3 LYS 9 7.725 0.965 9.503
61 HD2 LYS 9 HD2 LYS 9 8.820 2.295 11.001
62 HD3 LYS 9 HD3 LYS 9 8.601 0.910 12.072
63 HE2 LYS 9 HE2 LYS 9 10.819 0.039 11.356
64 HE3 LYS 9 HE3 LYS 9 11.042 1.479 10.363
65 HZ1 LYS 9 HZ1 LYS 9 11.108 1.191 13.267
66 HZ2 LYS 9 HZ2 LYS 9 10.448 2.630 12.647
67 HZ3 LYS 9 HZ3 LYS 9 12.039 2.184 12.253
68 HA PRO 10 HA PRO 10 10.473 -3.839 7.075
69 HB2 PRO 10 HB2 PRO 10 9.353 -3.595 4.430
70 HB3 PRO 10 HB3 PRO 10 9.495 -5.049 5.430
71 HG2 PRO 10 HG2 PRO 10 7.131 -3.795 4.748
72 HG3 PRO 10 HG3 PRO 10 7.346 -4.940 6.080
73 HD2 PRO 10 HD2 PRO 10 7.129 -1.966 6.169
74 HD3 PRO 10 HD3 PRO 10 6.646 -3.174 7.383
75 HN1 NH2 11 HN1 NH2 11 9.871 -0.619 7.072
76 HN2 NH2 11 HN2 NH2 11 11.409 -0.304 6.429
77 H1 A2G 101 H1 A2G 12 2.473 -16.062 9.784
78 H2 A2G 101 H2 A2G 12 1.968 -15.903 12.185
79 HN2 A2G 101 HN2 A2G 12 3.381 -18.424 11.535
80 H3 A2G 101 H3 A2G 12 0.853 -18.704 11.882
81 HO3 A2G 101 HO3 A2G 12 1.449 -16.995 13.998
82 H4 A2G 101 H4 A2G 12 -1.323 -17.711 12.306
83 HO4 A2G 101 HO4 A2G 12 -1.172 -15.941 13.433
84 H5 A2G 101 H5 A2G 12 -0.612 -17.783 9.958
85 H6 A2G 101 H6 A2G 12 -1.818 -15.047 10.342
86 H8 A2G 101 H8 A2G 12 5.457 -18.546 13.240
87 H8A A2G 101 H8A A2G 12 6.310 -17.019 13.015
88 H8B A2G 101 H8B A2G 12 5.823 -17.971 11.613
89 H14 A2G 101 H14 A2G 12 -2.194 -16.258 9.115
90 H15 A2G 101 H15 A2G 12 -2.790 -17.539 11.154
91 H1 A2G 102 H1 A2G 13 6.081 -12.685 6.087
92 H2 A2G 102 H2 A2G 13 5.506 -11.590 3.963
93 HN2 A2G 102 HN2 A2G 13 3.394 -13.481 4.819
94 H3 A2G 102 H3 A2G 13 4.917 -14.391 2.965
95 HO3 A2G 102 HO3 A2G 13 3.838 -12.242 2.255
96 H4 A2G 102 H4 A2G 13 6.848 -14.109 1.518
97 HO4 A2G 102 HO4 A2G 13 7.282 -11.653 2.860
98 H5 A2G 102 H5 A2G 13 7.298 -15.039 3.745
99 H6 A2G 102 H6 A2G 13 9.554 -13.119 3.480
100 H8 A2G 102 H8 A2G 13 1.042 -11.750 4.528
101 H8A A2G 102 H8A A2G 13 1.478 -10.756 5.918
102 H8B A2G 102 H8B A2G 13 1.680 -12.507 5.988
103 H14 A2G 102 H14 A2G 13 9.582 -14.880 3.558
104 H15 A2G 102 H15 A2G 13 8.747 -14.881 1.410
105 H1 A2G 103 H1 A2G 14 6.170 -10.076 11.408
106 H2 A2G 103 H2 A2G 14 8.158 -9.974 12.850
107 HN2 A2G 103 HN2 A2G 14 8.461 -11.995 10.706
108 H3 A2G 103 H3 A2G 14 7.894 -12.989 13.007
109 HO3 A2G 103 HO3 A2G 14 9.677 -11.108 14.153
110 H4 A2G 103 H4 A2G 14 7.324 -12.656 15.346
111 HO4 A2G 103 HO4 A2G 14 8.334 -10.845 15.942
112 H5 A2G 103 H5 A2G 14 5.447 -12.614 13.763
113 H6 A2G 103 H6 A2G 14 4.827 -10.322 15.587
114 H8 A2G 103 H8 A2G 14 11.046 -11.404 9.751
115 H8A A2G 103 H8A A2G 14 10.728 -9.806 9.076
116 H8B A2G 103 H8B A2G 14 9.586 -11.123 8.801
117 H14 A2G 103 H14 A2G 14 3.884 -11.776 15.260
118 H15 A2G 103 H15 A2G 14 5.305 -12.954 16.509
119 H1 A2G 104 H1 A2G 15 5.041 -5.833 7.576
120 H2 A2G 104 H2 A2G 15 2.884 -4.760 7.090
121 HN2 A2G 104 HN2 A2G 15 2.570 -7.101 8.877
122 H3 A2G 104 H3 A2G 15 1.923 -7.558 6.429
123 HO3 A2G 104 HO3 A2G 15 0.610 -5.104 5.996
124 H4 A2G 104 H4 A2G 15 1.771 -6.789 4.128
125 HO4 A2G 104 HO4 A2G 15 1.653 -4.737 3.811
126 H5 A2G 104 H5 A2G 15 3.933 -7.735 4.809
127 H6 A2G 104 H6 A2G 15 4.924 -5.425 3.262
128 H8 A2G 104 H8 A2G 15 0.854 -5.793 10.983
129 H8A A2G 104 H8A A2G 15 2.283 -4.961 11.596
130 H8B A2G 104 H8B A2G 15 2.401 -6.638 11.064
131 H14 A2G 104 H14 A2G 15 4.942 -7.140 2.853
132 H15 A2G 104 H15 A2G 15 3.542 -5.984 1.491
Start of MODEL 16
1 H1 ACE 1 H1 ACE 1 -1.254 -24.776 3.478
2 H2 ACE 1 H2 ACE 1 -1.532 -23.047 3.690
3 H3 ACE 1 H3 ACE 1 -2.135 -24.192 4.889
4 HA PRO 2 HA PRO 2 2.719 -24.724 5.312
5 HB2 PRO 2 HB2 PRO 2 3.850 -22.493 3.883
6 HB3 PRO 2 HB3 PRO 2 4.104 -24.220 3.593
7 HG2 PRO 2 HG2 PRO 2 2.370 -22.333 2.193
8 HG3 PRO 2 HG3 PRO 2 2.972 -23.913 1.674
9 HD2 PRO 2 HD2 PRO 2 0.356 -23.456 2.343
10 HD3 PRO 2 HD3 PRO 2 1.144 -25.040 2.529
11 HA PRO 3 HA PRO 3 3.030 -21.960 8.700
12 HB2 PRO 3 HB2 PRO 3 5.699 -21.007 8.180
13 HB3 PRO 3 HB3 PRO 3 5.179 -22.220 9.359
14 HG2 PRO 3 HG2 PRO 3 6.387 -22.583 6.727
15 HG3 PRO 3 HG3 PRO 3 6.268 -23.715 8.080
16 HD2 PRO 3 HD2 PRO 3 4.831 -23.995 5.765
17 HD3 PRO 3 HD3 PRO 3 4.264 -24.596 7.340
18 H THR 4 H THR 4 2.716 -19.788 9.184
19 HA THR 4 HA THR 4 2.523 -17.998 6.871
20 HB THR 4 HB THR 4 1.135 -16.601 8.311
21 HG21 THR 4 HG21 THR 4 0.176 -19.345 8.998
22 HG22 THR 4 HG22 THR 4 0.377 -18.950 7.291
23 HG23 THR 4 HG23 THR 4 -0.710 -17.992 8.295
24 H THR 5 H THR 5 3.765 -16.225 6.602
25 HA THR 5 HA THR 5 5.855 -15.733 8.625
26 HB THR 5 HB THR 5 7.126 -14.690 6.804
27 HG21 THR 5 HG21 THR 5 6.212 -17.159 5.453
28 HG22 THR 5 HG22 THR 5 6.694 -17.358 7.137
29 HG23 THR 5 HG23 THR 5 7.832 -16.693 5.968
30 H THR 6 H THR 6 6.174 -13.714 9.478
31 HA THR 6 HA THR 6 4.035 -11.753 8.954
32 HB THR 6 HB THR 6 4.619 -10.816 11.155
33 HG21 THR 6 HG21 THR 6 4.476 -13.761 11.650
34 HG22 THR 6 HG22 THR 6 3.168 -13.006 10.739
35 HG23 THR 6 HG23 THR 6 3.535 -12.457 12.374
36 H THR 7 H THR 7 4.517 -9.597 8.544
37 HA THR 7 HA THR 7 7.248 -9.122 7.553
38 HB THR 7 HB THR 7 6.277 -7.304 6.255
39 HG21 THR 7 HG21 THR 7 4.246 -9.479 5.935
40 HG22 THR 7 HG22 THR 7 5.945 -9.878 5.687
41 HG23 THR 7 HG23 THR 7 5.179 -8.630 4.703
42 H LYS 8 H LYS 8 8.595 -7.870 8.667
43 HA LYS 8 HA LYS 8 7.685 -6.491 11.042
44 HB2 LYS 8 HB2 LYS 8 9.892 -7.742 10.811
45 HB3 LYS 8 HB3 LYS 8 10.447 -6.385 9.830
46 HG2 LYS 8 HG2 LYS 8 11.138 -5.964 12.104
47 HG3 LYS 8 HG3 LYS 8 9.814 -4.858 11.737
48 HD2 LYS 8 HD2 LYS 8 8.446 -5.808 13.272
49 HD3 LYS 8 HD3 LYS 8 8.907 -7.443 12.793
50 HE2 LYS 8 HE2 LYS 8 9.599 -6.940 15.123
51 HE3 LYS 8 HE3 LYS 8 10.986 -7.259 14.082
52 HZ1 LYS 8 HZ1 LYS 8 10.196 -4.817 15.406
53 HZ2 LYS 8 HZ2 LYS 8 10.663 -4.613 13.785
54 HZ3 LYS 8 HZ3 LYS 8 11.731 -5.329 14.897
55 H LYS 9 H LYS 9 6.261 -5.221 9.321
56 HA LYS 9 HA LYS 9 6.089 -3.348 7.863
57 HB2 LYS 9 HB2 LYS 9 5.529 -2.895 10.362
58 HB3 LYS 9 HB3 LYS 9 7.032 -1.972 10.363
59 HG2 LYS 9 HG2 LYS 9 6.212 -0.626 8.466
60 HG3 LYS 9 HG3 LYS 9 4.706 -1.546 8.465
61 HD2 LYS 9 HD2 LYS 9 3.879 -0.122 9.996
62 HD3 LYS 9 HD3 LYS 9 5.113 -0.675 11.129
63 HE2 LYS 9 HE2 LYS 9 6.702 0.982 10.114
64 HE3 LYS 9 HE3 LYS 9 5.366 1.600 9.143
65 HZ1 LYS 9 HZ1 LYS 9 4.255 2.364 11.013
66 HZ2 LYS 9 HZ2 LYS 9 5.876 2.740 11.354
67 HZ3 LYS 9 HZ3 LYS 9 5.144 1.389 12.078
68 HA PRO 10 HA PRO 10 10.797 -3.162 7.193
69 HB2 PRO 10 HB2 PRO 10 10.094 -3.042 4.402
70 HB3 PRO 10 HB3 PRO 10 10.946 -4.334 5.262
71 HG2 PRO 10 HG2 PRO 10 8.146 -4.171 4.452
72 HG3 PRO 10 HG3 PRO 10 9.112 -5.583 4.901
73 HD2 PRO 10 HD2 PRO 10 7.119 -4.568 6.484
74 HD3 PRO 10 HD3 PRO 10 8.529 -5.439 7.132
75 HN1 NH2 11 HN1 NH2 11 11.729 -1.268 5.345
76 HN2 NH2 11 HN2 NH2 11 11.296 0.074 6.289
77 H1 A2G 101 H1 A2G 12 2.434 -15.780 10.081
78 H2 A2G 101 H2 A2G 12 2.157 -15.514 12.505
79 HN2 A2G 101 HN2 A2G 12 3.406 -18.111 11.823
80 H3 A2G 101 H3 A2G 12 0.919 -18.278 12.435
81 HO3 A2G 101 HO3 A2G 12 1.450 -16.379 14.462
82 H4 A2G 101 H4 A2G 12 -1.181 -17.191 12.981
83 HO4 A2G 101 HO4 A2G 12 -0.068 -14.665 12.570
84 H5 A2G 101 H5 A2G 12 -0.687 -17.368 10.586
85 H6 A2G 101 H6 A2G 12 -1.699 -14.659 10.417
86 H8 A2G 101 H8 A2G 12 5.670 -18.067 13.701
87 H8A A2G 101 H8A A2G 12 6.512 -16.810 12.794
88 H8B A2G 101 H8B A2G 12 5.690 -18.114 11.938
89 H14 A2G 101 H14 A2G 12 -2.554 -16.178 10.146
90 H15 A2G 101 H15 A2G 12 -2.702 -16.334 12.471
91 H1 A2G 102 H1 A2G 13 5.915 -12.877 5.945
92 H2 A2G 102 H2 A2G 13 5.367 -12.024 3.706
93 HN2 A2G 102 HN2 A2G 13 3.276 -13.862 4.716
94 H3 A2G 102 H3 A2G 13 4.849 -14.924 2.995
95 HO3 A2G 102 HO3 A2G 13 4.077 -12.579 1.971
96 H4 A2G 102 H4 A2G 13 6.814 -14.773 1.578
97 HO4 A2G 102 HO4 A2G 13 6.697 -12.090 2.390
98 H5 A2G 102 H5 A2G 13 7.254 -15.433 3.897
99 H6 A2G 102 H6 A2G 13 9.409 -13.426 3.295
100 H8 A2G 102 H8 A2G 13 0.867 -11.733 4.284
101 H8A A2G 102 H8A A2G 13 1.476 -11.340 5.892
102 H8B A2G 102 H8B A2G 13 1.398 -13.022 5.364
103 H14 A2G 102 H14 A2G 13 9.565 -15.089 3.860
104 H15 A2G 102 H15 A2G 13 9.137 -15.829 1.855
105 H1 A2G 103 H1 A2G 14 6.868 -10.145 11.149
106 H2 A2G 103 H2 A2G 14 8.773 -10.367 12.686
107 HN2 A2G 103 HN2 A2G 14 8.684 -12.582 10.722
108 H3 A2G 103 H3 A2G 14 7.820 -13.221 13.057
109 HO3 A2G 103 HO3 A2G 14 9.673 -12.059 14.730
110 H4 A2G 103 H4 A2G 14 7.256 -12.567 15.329
111 HO4 A2G 103 HO4 A2G 14 8.277 -10.913 16.076
112 H5 A2G 103 H5 A2G 14 5.498 -12.241 13.646
113 H6 A2G 103 H6 A2G 14 5.074 -9.713 15.045
114 H8 A2G 103 H8 A2G 14 11.686 -12.354 9.895
115 H8A A2G 103 H8A A2G 14 11.090 -11.083 8.827
116 H8B A2G 103 H8B A2G 14 10.133 -12.543 9.081
117 H14 A2G 103 H14 A2G 14 4.178 -11.226 15.181
118 H15 A2G 103 H15 A2G 14 6.729 -10.851 16.337
119 H1 A2G 104 H1 A2G 15 5.453 -5.678 7.707
120 H2 A2G 104 H2 A2G 15 3.415 -4.316 7.888
121 HN2 A2G 104 HN2 A2G 15 3.193 -6.845 9.412
122 H3 A2G 104 H3 A2G 15 1.942 -6.866 7.168
123 HO3 A2G 104 HO3 A2G 15 1.260 -4.565 8.369
124 H4 A2G 104 H4 A2G 15 1.391 -5.779 5.070
125 HO4 A2G 104 HO4 A2G 15 3.119 -3.661 5.705
126 H5 A2G 104 H5 A2G 15 3.508 -7.015 5.073
127 H6 A2G 104 H6 A2G 15 4.654 -4.882 3.572
128 H8 A2G 104 H8 A2G 15 2.337 -5.381 12.170
129 H8A A2G 104 H8A A2G 15 4.100 -5.352 12.236
130 H8B A2G 104 H8B A2G 15 3.265 -6.754 11.568
131 H14 A2G 104 H14 A2G 15 3.756 -6.271 2.960
132 H15 A2G 104 H15 A2G 15 2.935 -3.669 3.408