Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620017 | 5lfy RC | 34019 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 H1 ASP 1 -1.075 7.240 -1.960
2 H2 ASP 1 H2 ASP 1 -0.703 8.011 -0.472
3 H3 ASP 1 H3 ASP 1 -1.526 6.505 -0.479
4 HA ASP 1 HA ASP 1 1.266 7.091 -1.149
5 HB2 ASP 1 HB3 ASP 1 -0.103 5.150 0.731
6 HB3 ASP 1 HB2 ASP 1 1.639 5.327 0.544
7 H ALA 2 H ALA 2 2.515 5.197 -1.846
8 HA ALA 2 HA ALA 2 0.918 3.391 -3.547
9 HB1 ALA 2 HB1 ALA 2 3.631 3.681 -4.466
10 HB2 ALA 2 HB2 ALA 2 2.844 5.254 -4.345
11 HB3 ALA 2 HB3 ALA 2 2.120 3.977 -5.323
12 H GLU 3 H GLU 3 2.438 1.470 -4.258
13 HA GLU 3 HA GLU 3 2.779 -0.204 -2.095
14 HB2 GLU 3 HB3 GLU 3 2.717 -0.761 -4.599
15 HB3 GLU 3 HB2 GLU 3 4.447 -0.449 -4.590
16 HG2 GLU 3 HG3 GLU 3 4.260 -2.757 -4.343
17 HG3 GLU 3 HG2 GLU 3 4.582 -2.164 -2.715
18 H PHE 4 H PHE 4 5.124 1.965 -3.579
19 HA PHE 4 HA PHE 4 7.366 1.010 -2.113
20 HB2 PHE 4 HB3 PHE 4 8.515 2.994 -2.919
21 HB3 PHE 4 HB2 PHE 4 7.573 2.287 -4.226
22 HD1 PHE 4 HD1 PHE 4 7.706 5.047 -1.786
23 HD2 PHE 4 HD2 PHE 4 5.832 3.495 -5.276
24 HE1 PHE 4 HE1 PHE 4 6.610 7.218 -2.158
25 HE2 PHE 4 HE2 PHE 4 4.733 5.664 -5.656
26 HZ PHE 4 HZ PHE 4 5.121 7.529 -4.095
27 H ARG 5 H ARG 5 4.875 3.376 -1.507
28 HA ARG 5 HA ARG 5 6.208 4.532 0.767
29 HB2 ARG 5 HB3 ARG 5 4.655 5.837 -0.640
30 HB3 ARG 5 HB2 ARG 5 3.338 4.788 -0.137
31 HG2 ARG 5 HG3 ARG 5 3.135 5.777 1.877
32 HG3 ARG 5 HG2 ARG 5 4.868 6.063 2.032
33 HD2 ARG 5 HD3 ARG 5 4.542 7.814 0.184
34 HD3 ARG 5 HD2 ARG 5 2.824 7.676 0.543
35 HE ARG 5 HE ARG 5 3.176 8.713 2.588
36 HH11 ARG 5 HH11 ARG 5 6.222 8.140 0.972
37 HH12 ARG 5 HH12 ARG 5 7.114 9.187 2.022
38 HH21 ARG 5 HH21 ARG 5 4.355 10.086 3.967
39 HH22 ARG 5 HH22 ARG 5 6.057 10.289 3.722
40 H HIS 6 H HIS 6 3.635 2.180 0.220
41 HA HIS 6 HA HIS 6 2.885 1.880 2.937
42 HB2 HIS 6 HB3 HIS 6 2.662 -0.161 0.717
43 HB3 HIS 6 HB2 HIS 6 1.747 -0.147 2.220
44 HD1 HIS 6 HD1 HIS 6 0.357 2.370 2.430
45 HD2 HIS 6 HD2 HIS 6 1.208 0.745 -1.295
46 HE1 HIS 6 HE1 HIS 6 -1.243 3.457 0.800
47 H HIS 7 H HIS 7 5.131 0.146 0.846
48 HA HIS 7 HA HIS 7 6.015 -1.503 3.083
49 HB2 HIS 7 HB3 HIS 7 6.781 -1.574 0.158
50 HB3 HIS 7 HB2 HIS 7 7.302 -2.733 1.377
51 HD1 HIS 7 HD1 HIS 7 5.712 -4.651 1.895
52 HD2 HIS 7 HD2 HIS 7 3.978 -1.689 -0.452
53 HE1 HIS 7 HE1 HIS 7 3.489 -5.569 1.111
54 H SER 8 H SER 8 8.418 -1.851 3.277
55 HA SER 8 HA SER 8 9.985 0.542 2.649
56 HB2 SER 8 HB3 SER 8 9.041 0.802 4.949
57 HB3 SER 8 HB2 SER 8 9.891 -0.669 5.421
58 HG SER 8 HG SER 8 11.384 0.766 5.900
59 H GLY 9 H GLY 9 12.315 0.222 2.924
60 HA2 GLY 9 HA3 GLY 9 14.209 -1.196 3.191
61 HA3 GLY 9 HA2 GLY 9 13.157 -2.589 3.000
62 H TYR 10 H TYR 10 15.347 -2.770 1.592
63 HA TYR 10 HA TYR 10 15.490 -1.511 -0.895
64 HB2 TYR 10 HB3 TYR 10 16.436 -4.226 0.021
65 HB3 TYR 10 HB2 TYR 10 16.782 -3.590 -1.583
66 HD1 TYR 10 HD1 TYR 10 17.502 -3.286 1.994
67 HD2 TYR 10 HD2 TYR 10 18.341 -1.750 -1.884
68 HE1 TYR 10 HE1 TYR 10 19.468 -2.113 2.891
69 HE2 TYR 10 HE2 TYR 10 20.311 -0.573 -0.998
70 HH TYR 10 HH TYR 10 21.762 -1.256 1.790
71 HN1 NH2 11 HN1 NH2 11 14.767 -5.029 -0.807
72 HN2 NH2 11 HN2 NH2 11 13.431 -4.945 -1.933
73 H1 ASP 1 H1 ASP 1 1.243 -5.965 1.605
74 H2 ASP 1 H2 ASP 1 1.523 -7.030 0.288
75 H3 ASP 1 H3 ASP 1 0.805 -7.618 1.733
76 HA ASP 1 HA ASP 1 -0.937 -7.414 0.289
77 HB2 ASP 1 HB3 ASP 1 -1.008 -4.722 1.631
78 HB3 ASP 1 HB2 ASP 1 -2.312 -5.882 1.412
79 H ALA 2 H ALA 2 -2.329 -5.619 -0.904
80 HA ALA 2 HA ALA 2 -0.509 -4.222 -2.756
81 HB1 ALA 2 HB1 ALA 2 -3.194 -5.424 -3.413
82 HB2 ALA 2 HB2 ALA 2 -1.636 -6.166 -3.772
83 HB3 ALA 2 HB3 ALA 2 -2.086 -4.643 -4.540
84 H GLU 3 H GLU 3 -1.839 -2.519 -4.063
85 HA GLU 3 HA GLU 3 -2.447 -0.414 -2.398
86 HB2 GLU 3 HB3 GLU 3 -1.968 -0.371 -4.892
87 HB3 GLU 3 HB2 GLU 3 -3.668 -0.750 -5.130
88 HG2 GLU 3 HG3 GLU 3 -3.688 1.528 -5.319
89 HG3 GLU 3 HG2 GLU 3 -4.052 1.328 -3.606
90 H PHE 4 H PHE 4 -4.652 -2.845 -3.706
91 HA PHE 4 HA PHE 4 -7.014 -1.521 -2.839
92 HB2 PHE 4 HB3 PHE 4 -8.201 -3.471 -3.476
93 HB3 PHE 4 HB2 PHE 4 -6.881 -3.316 -4.627
94 HD1 PHE 4 HD1 PHE 4 -8.243 -5.258 -1.852
95 HD2 PHE 4 HD2 PHE 4 -5.063 -4.913 -4.656
96 HE1 PHE 4 HE1 PHE 4 -7.562 -7.569 -1.356
97 HE2 PHE 4 HE2 PHE 4 -4.374 -7.224 -4.166
98 HZ PHE 4 HZ PHE 4 -5.625 -8.555 -2.514
99 H ARG 5 H ARG 5 -4.773 -3.733 -1.349
100 HA ARG 5 HA ARG 5 -6.459 -4.324 0.901
101 HB2 ARG 5 HB3 ARG 5 -3.508 -4.755 0.432
102 HB3 ARG 5 HB2 ARG 5 -4.377 -5.327 1.850
103 HG2 ARG 5 HG3 ARG 5 -5.823 -6.669 0.384
104 HG3 ARG 5 HG2 ARG 5 -4.871 -6.141 -1.001
105 HD2 ARG 5 HD3 ARG 5 -2.865 -7.134 0.087
106 HD3 ARG 5 HD2 ARG 5 -3.917 -7.769 1.350
107 HE ARG 5 HE ARG 5 -3.601 -8.780 -1.326
108 HH11 ARG 5 HH11 ARG 5 -5.705 -8.638 1.454
109 HH12 ARG 5 HH12 ARG 5 -6.546 -10.097 1.048
110 HH21 ARG 5 HH21 ARG 5 -4.705 -10.696 -1.862
111 HH22 ARG 5 HH22 ARG 5 -5.978 -11.265 -0.834
112 H HIS 6 H HIS 6 -3.739 -2.175 0.240
113 HA HIS 6 HA HIS 6 -3.497 -1.160 2.884
114 HB2 HIS 6 HB3 HIS 6 -2.748 0.229 0.306
115 HB3 HIS 6 HB2 HIS 6 -2.130 0.594 1.912
116 HD1 HIS 6 HD1 HIS 6 -0.807 -1.668 3.008
117 HD2 HIS 6 HD2 HIS 6 -1.108 -1.278 -1.115
118 HE1 HIS 6 HE1 HIS 6 1.009 -3.134 2.018
119 H HIS 7 H HIS 7 -5.261 -0.130 0.022
120 HA HIS 7 HA HIS 7 -6.414 2.141 1.435
121 HB2 HIS 7 HB3 HIS 7 -6.769 1.180 -1.414
122 HB3 HIS 7 HB2 HIS 7 -7.455 2.660 -0.754
123 HD1 HIS 7 HD1 HIS 7 -6.101 4.672 -1.311
124 HD2 HIS 7 HD2 HIS 7 -3.759 1.247 -1.052
125 HE1 HIS 7 HE1 HIS 7 -3.739 5.380 -1.872
126 H SER 8 H SER 8 -8.335 2.084 2.408
127 HA SER 8 HA SER 8 -10.195 -0.089 1.706
128 HB2 SER 8 HB3 SER 8 -9.634 1.037 4.460
129 HB3 SER 8 HB2 SER 8 -10.886 -0.148 4.088
130 HG SER 8 HG SER 8 -8.519 -0.736 4.787
131 H GLY 9 H GLY 9 -12.374 0.392 1.651
132 HA2 GLY 9 HA3 GLY 9 -13.488 2.830 2.579
133 HA3 GLY 9 HA2 GLY 9 -13.147 2.940 0.859
134 H TYR 10 H TYR 10 -15.587 2.494 2.863
135 HA TYR 10 HA TYR 10 -16.895 0.436 1.212
136 HB2 TYR 10 HB3 TYR 10 -18.447 0.118 3.098
137 HB3 TYR 10 HB2 TYR 10 -16.777 -0.166 3.577
138 HD1 TYR 10 HD1 TYR 10 -15.643 1.354 5.098
139 HD2 TYR 10 HD2 TYR 10 -19.680 2.034 3.941
140 HE1 TYR 10 HE1 TYR 10 -15.892 2.971 6.935
141 HE2 TYR 10 HE2 TYR 10 -19.939 3.654 5.772
142 HH TYR 10 HH TYR 10 -18.944 4.221 7.884
143 HN1 NH2 11 HN1 NH2 11 -16.716 3.774 1.611
144 HN2 NH2 11 HN2 NH2 11 -18.312 4.197 1.031
Start of MODEL 2
1 H1 ASP 1 H1 ASP 1 -0.660 8.017 -0.560
2 H2 ASP 1 H2 ASP 1 -1.457 6.502 -0.458
3 H3 ASP 1 H3 ASP 1 -1.096 7.181 -1.993
4 HA ASP 1 HA ASP 1 1.288 7.103 -1.275
5 HB2 ASP 1 HB3 ASP 1 -0.022 5.256 0.734
6 HB3 ASP 1 HB2 ASP 1 1.710 5.295 0.413
7 H ALA 2 H ALA 2 2.535 5.169 -1.928
8 HA ALA 2 HA ALA 2 0.909 3.343 -3.575
9 HB1 ALA 2 HB1 ALA 2 3.656 3.687 -4.469
10 HB2 ALA 2 HB2 ALA 2 2.734 5.191 -4.490
11 HB3 ALA 2 HB3 ALA 2 2.148 3.785 -5.378
12 H GLU 3 H GLU 3 2.478 1.436 -4.298
13 HA GLU 3 HA GLU 3 2.801 -0.234 -2.125
14 HB2 GLU 3 HB3 GLU 3 2.749 -0.778 -4.641
15 HB3 GLU 3 HB2 GLU 3 4.484 -0.499 -4.603
16 HG2 GLU 3 HG3 GLU 3 4.216 -2.812 -4.376
17 HG3 GLU 3 HG2 GLU 3 4.578 -2.226 -2.753
18 H PHE 4 H PHE 4 5.179 1.893 -3.634
19 HA PHE 4 HA PHE 4 7.392 0.928 -2.136
20 HB2 PHE 4 HB3 PHE 4 8.613 2.802 -3.019
21 HB3 PHE 4 HB2 PHE 4 7.573 2.183 -4.297
22 HD1 PHE 4 HD1 PHE 4 8.204 4.959 -2.010
23 HD2 PHE 4 HD2 PHE 4 5.687 3.469 -5.100
24 HE1 PHE 4 HE1 PHE 4 7.262 7.211 -2.324
25 HE2 PHE 4 HE2 PHE 4 4.743 5.717 -5.421
26 HZ PHE 4 HZ PHE 4 5.529 7.591 -4.032
27 H ARG 5 H ARG 5 4.922 3.310 -1.562
28 HA ARG 5 HA ARG 5 6.282 4.505 0.680
29 HB2 ARG 5 HB3 ARG 5 4.767 5.829 -0.719
30 HB3 ARG 5 HB2 ARG 5 3.429 4.783 -0.265
31 HG2 ARG 5 HG3 ARG 5 3.189 5.737 1.769
32 HG3 ARG 5 HG2 ARG 5 4.915 6.056 1.944
33 HD2 ARG 5 HD3 ARG 5 3.098 7.565 0.074
34 HD3 ARG 5 HD2 ARG 5 3.500 8.102 1.704
35 HE ARG 5 HE ARG 5 5.905 7.651 0.428
36 HH11 ARG 5 HH11 ARG 5 3.132 9.722 -0.030
37 HH12 ARG 5 HH12 ARG 5 4.045 10.986 -0.783
38 HH21 ARG 5 HH21 ARG 5 7.106 9.313 -0.561
39 HH22 ARG 5 HH22 ARG 5 6.300 10.753 -1.086
40 H HIS 6 H HIS 6 3.688 2.162 0.190
41 HA HIS 6 HA HIS 6 2.945 1.949 2.924
42 HB2 HIS 6 HB3 HIS 6 2.656 -0.132 0.749
43 HB3 HIS 6 HB2 HIS 6 1.765 -0.077 2.265
44 HD1 HIS 6 HD1 HIS 6 0.468 2.515 2.441
45 HD2 HIS 6 HD2 HIS 6 1.141 0.718 -1.242
46 HE1 HIS 6 HE1 HIS 6 -1.151 3.588 0.822
47 H HIS 7 H HIS 7 5.167 0.154 0.864
48 HA HIS 7 HA HIS 7 6.001 -1.503 3.114
49 HB2 HIS 7 HB3 HIS 7 6.811 -1.577 0.200
50 HB3 HIS 7 HB2 HIS 7 7.297 -2.746 1.423
51 HD1 HIS 7 HD1 HIS 7 5.683 -4.652 1.893
52 HD2 HIS 7 HD2 HIS 7 4.001 -1.645 -0.433
53 HE1 HIS 7 HE1 HIS 7 3.458 -5.536 1.075
54 H SER 8 H SER 8 8.416 -1.905 3.287
55 HA SER 8 HA SER 8 9.747 0.696 3.408
56 HB2 SER 8 HB3 SER 8 10.345 -1.950 4.743
57 HB3 SER 8 HB2 SER 8 11.390 -0.535 4.877
58 HG SER 8 HG SER 8 9.486 -1.042 6.461
59 H GLY 9 H GLY 9 11.753 1.092 2.498
60 HA2 GLY 9 HA3 GLY 9 13.652 -0.463 1.450
61 HA3 GLY 9 HA2 GLY 9 12.404 -0.600 0.221
62 H TYR 10 H TYR 10 15.190 0.824 0.673
63 HA TYR 10 HA TYR 10 14.600 3.568 0.089
64 HB2 TYR 10 HB3 TYR 10 17.090 1.914 0.255
65 HB3 TYR 10 HB2 TYR 10 17.156 3.494 -0.518
66 HD1 TYR 10 HD1 TYR 10 16.024 1.860 2.639
67 HD2 TYR 10 HD2 TYR 10 17.532 5.377 0.783
68 HE1 TYR 10 HE1 TYR 10 16.246 2.920 4.846
69 HE2 TYR 10 HE2 TYR 10 17.760 6.448 2.985
70 HH TYR 10 HH TYR 10 16.899 6.272 5.217
71 HN1 NH2 11 HN1 NH2 11 13.690 1.231 -1.785
72 HN2 NH2 11 HN2 NH2 11 14.207 1.779 -3.363
73 H1 ASP 1 H1 ASP 1 1.641 -6.711 0.532
74 H2 ASP 1 H2 ASP 1 0.894 -7.257 1.978
75 H3 ASP 1 H3 ASP 1 1.149 -5.580 1.721
76 HA ASP 1 HA ASP 1 -0.735 -7.383 0.382
77 HB2 ASP 1 HB3 ASP 1 -1.340 -4.667 1.475
78 HB3 ASP 1 HB2 ASP 1 -2.373 -6.087 1.376
79 H ALA 2 H ALA 2 -2.299 -5.588 -0.813
80 HA ALA 2 HA ALA 2 -0.538 -4.271 -2.774
81 HB1 ALA 2 HB1 ALA 2 -2.593 -6.235 -3.144
82 HB2 ALA 2 HB2 ALA 2 -1.489 -5.538 -4.329
83 HB3 ALA 2 HB3 ALA 2 -3.027 -4.749 -3.986
84 H GLU 3 H GLU 3 -1.837 -2.577 -4.075
85 HA GLU 3 HA GLU 3 -2.451 -0.442 -2.446
86 HB2 GLU 3 HB3 GLU 3 -1.953 -0.437 -4.935
87 HB3 GLU 3 HB2 GLU 3 -3.646 -0.835 -5.185
88 HG2 GLU 3 HG3 GLU 3 -3.629 1.451 -5.438
89 HG3 GLU 3 HG2 GLU 3 -4.104 1.264 -3.751
90 H PHE 4 H PHE 4 -4.635 -2.887 -3.758
91 HA PHE 4 HA PHE 4 -7.019 -1.582 -2.922
92 HB2 PHE 4 HB3 PHE 4 -8.165 -3.595 -3.520
93 HB3 PHE 4 HB2 PHE 4 -6.891 -3.344 -4.707
94 HD1 PHE 4 HD1 PHE 4 -8.185 -5.495 -2.098
95 HD2 PHE 4 HD2 PHE 4 -4.873 -4.764 -4.670
96 HE1 PHE 4 HE1 PHE 4 -7.361 -7.775 -1.679
97 HE2 PHE 4 HE2 PHE 4 -4.044 -7.043 -4.256
98 HZ PHE 4 HZ PHE 4 -5.289 -8.552 -2.760
99 H ARG 5 H ARG 5 -4.768 -3.760 -1.393
100 HA ARG 5 HA ARG 5 -6.496 -4.344 0.833
101 HB2 ARG 5 HB3 ARG 5 -3.537 -4.824 0.448
102 HB3 ARG 5 HB2 ARG 5 -4.492 -5.440 1.791
103 HG2 ARG 5 HG3 ARG 5 -5.879 -6.697 0.215
104 HG3 ARG 5 HG2 ARG 5 -4.894 -6.100 -1.117
105 HD2 ARG 5 HD3 ARG 5 -2.954 -7.243 -0.235
106 HD3 ARG 5 HD2 ARG 5 -3.864 -7.752 1.187
107 HE ARG 5 HE ARG 5 -5.322 -8.822 -0.764
108 HH11 ARG 5 HH11 ARG 5 -1.866 -8.835 -0.271
109 HH12 ARG 5 HH12 ARG 5 -1.636 -10.358 -1.064
110 HH21 ARG 5 HH21 ARG 5 -5.017 -10.823 -1.802
111 HH22 ARG 5 HH22 ARG 5 -3.423 -11.485 -1.931
112 H HIS 6 H HIS 6 -3.792 -2.177 0.177
113 HA HIS 6 HA HIS 6 -3.547 -1.192 2.839
114 HB2 HIS 6 HB3 HIS 6 -2.799 0.213 0.266
115 HB3 HIS 6 HB2 HIS 6 -2.193 0.584 1.876
116 HD1 HIS 6 HD1 HIS 6 -0.846 -1.659 2.979
117 HD2 HIS 6 HD2 HIS 6 -1.134 -1.276 -1.147
118 HE1 HIS 6 HE1 HIS 6 0.995 -3.100 2.000
119 H HIS 7 H HIS 7 -5.282 -0.127 -0.032
120 HA HIS 7 HA HIS 7 -6.487 2.098 1.412
121 HB2 HIS 7 HB3 HIS 7 -6.734 1.230 -1.476
122 HB3 HIS 7 HB2 HIS 7 -7.458 2.682 -0.791
123 HD1 HIS 7 HD1 HIS 7 -6.076 4.745 -1.047
124 HD2 HIS 7 HD2 HIS 7 -3.771 1.288 -1.188
125 HE1 HIS 7 HE1 HIS 7 -3.712 5.486 -1.552
126 H SER 8 H SER 8 -8.901 2.434 0.950
127 HA SER 8 HA SER 8 -10.277 -0.066 1.628
128 HB2 SER 8 HB3 SER 8 -11.021 2.833 2.042
129 HB3 SER 8 HB2 SER 8 -12.137 1.503 2.345
130 HG SER 8 HG SER 8 -10.343 2.460 3.987
131 H GLY 9 H GLY 9 -11.844 -0.925 0.378
132 HA2 GLY 9 HA3 GLY 9 -13.511 0.371 -1.413
133 HA3 GLY 9 HA2 GLY 9 -12.076 -0.069 -2.326
134 H TYR 10 H TYR 10 -14.325 -1.134 -3.217
135 HA TYR 10 HA TYR 10 -14.098 -3.949 -2.419
136 HB2 TYR 10 HB3 TYR 10 -16.537 -4.224 -2.608
137 HB3 TYR 10 HB2 TYR 10 -16.112 -3.080 -1.340
138 HD1 TYR 10 HD1 TYR 10 -16.343 -0.614 -1.802
139 HD2 TYR 10 HD2 TYR 10 -17.922 -3.581 -4.409
140 HE1 TYR 10 HE1 TYR 10 -17.819 1.071 -2.816
141 HE2 TYR 10 HE2 TYR 10 -19.400 -1.905 -5.432
142 HH TYR 10 HH TYR 10 -19.056 1.460 -4.837
143 HN1 NH2 11 HN1 NH2 11 -15.445 -1.679 -4.899
144 HN2 NH2 11 HN2 NH2 11 -15.111 -2.731 -6.256
Start of MODEL 3
1 H1 ASP 1 H1 ASP 1 -1.091 7.352 -1.952
2 H2 ASP 1 H2 ASP 1 -0.806 7.910 -0.354
3 H3 ASP 1 H3 ASP 1 -1.573 6.397 -0.614
4 HA ASP 1 HA ASP 1 1.206 7.137 -1.229
5 HB2 ASP 1 HB3 ASP 1 -0.140 5.328 0.778
6 HB3 ASP 1 HB2 ASP 1 1.574 5.195 0.393
7 H ALA 2 H ALA 2 2.494 5.262 -1.935
8 HA ALA 2 HA ALA 2 0.915 3.475 -3.671
9 HB1 ALA 2 HB1 ALA 2 3.699 3.748 -4.430
10 HB2 ALA 2 HB2 ALA 2 2.861 5.300 -4.415
11 HB3 ALA 2 HB3 ALA 2 2.239 3.972 -5.393
12 H GLU 3 H GLU 3 2.400 1.525 -4.342
13 HA GLU 3 HA GLU 3 2.665 -0.126 -2.124
14 HB2 GLU 3 HB3 GLU 3 2.449 -0.813 -4.550
15 HB3 GLU 3 HB2 GLU 3 4.169 -0.488 -4.714
16 HG2 GLU 3 HG3 GLU 3 4.529 -2.581 -4.093
17 HG3 GLU 3 HG2 GLU 3 3.982 -2.124 -2.481
18 H PHE 4 H PHE 4 5.018 1.989 -3.651
19 HA PHE 4 HA PHE 4 7.197 0.887 -2.126
20 HB2 PHE 4 HB3 PHE 4 8.546 2.732 -3.104
21 HB3 PHE 4 HB2 PHE 4 7.761 1.715 -4.295
22 HD1 PHE 4 HD1 PHE 4 8.442 3.644 -5.783
23 HD2 PHE 4 HD2 PHE 4 5.473 4.012 -2.762
24 HE1 PHE 4 HE1 PHE 4 7.562 5.652 -6.892
25 HE2 PHE 4 HE2 PHE 4 4.592 6.018 -3.862
26 HZ PHE 4 HZ PHE 4 5.634 6.842 -5.932
27 H ARG 5 H ARG 5 4.692 2.945 -1.384
28 HA ARG 5 HA ARG 5 6.262 4.444 0.584
29 HB2 ARG 5 HB3 ARG 5 4.740 5.731 -0.873
30 HB3 ARG 5 HB2 ARG 5 3.382 4.793 -0.266
31 HG2 ARG 5 HG3 ARG 5 3.500 6.963 0.811
32 HG3 ARG 5 HG2 ARG 5 3.771 5.664 1.975
33 HD2 ARG 5 HD3 ARG 5 6.167 6.033 1.865
34 HD3 ARG 5 HD2 ARG 5 5.940 7.280 0.642
35 HE ARG 5 HE ARG 5 5.235 7.487 3.484
36 HH11 ARG 5 HH11 ARG 5 5.624 9.002 0.355
37 HH12 ARG 5 HH12 ARG 5 5.551 10.610 0.993
38 HH21 ARG 5 HH21 ARG 5 5.137 9.601 4.310
39 HH22 ARG 5 HH22 ARG 5 5.275 10.949 3.233
40 H HIS 6 H HIS 6 3.626 2.138 0.252
41 HA HIS 6 HA HIS 6 2.931 2.067 3.018
42 HB2 HIS 6 HB3 HIS 6 2.525 -0.118 0.966
43 HB3 HIS 6 HB2 HIS 6 1.649 0.086 2.479
44 HD1 HIS 6 HD1 HIS 6 0.331 2.609 2.511
45 HD2 HIS 6 HD2 HIS 6 1.155 0.771 -1.122
46 HE1 HIS 6 HE1 HIS 6 -1.240 3.648 0.821
47 H HIS 7 H HIS 7 5.013 0.127 0.939
48 HA HIS 7 HA HIS 7 5.885 -1.523 3.161
49 HB2 HIS 7 HB3 HIS 7 6.694 -1.495 0.245
50 HB3 HIS 7 HB2 HIS 7 7.257 -2.667 1.432
51 HD1 HIS 7 HD1 HIS 7 5.733 -4.650 1.907
52 HD2 HIS 7 HD2 HIS 7 3.910 -1.703 -0.391
53 HE1 HIS 7 HE1 HIS 7 3.554 -5.635 1.081
54 H SER 8 H SER 8 8.343 -1.921 3.260
55 HA SER 8 HA SER 8 9.729 0.679 3.154
56 HB2 SER 8 HB3 SER 8 9.218 -0.042 5.470
57 HB3 SER 8 HB2 SER 8 10.134 -1.523 5.192
58 HG SER 8 HG SER 8 11.062 1.133 5.358
59 H GLY 9 H GLY 9 11.651 0.757 2.144
60 HA2 GLY 9 HA3 GLY 9 12.779 -1.813 1.219
61 HA3 GLY 9 HA2 GLY 9 12.831 -0.327 0.282
62 H TYR 10 H TYR 10 14.779 0.544 0.217
63 HA TYR 10 HA TYR 10 16.766 -0.130 2.202
64 HB2 TYR 10 HB3 TYR 10 16.988 1.731 -0.171
65 HB3 TYR 10 HB2 TYR 10 18.323 1.070 0.768
66 HD1 TYR 10 HD1 TYR 10 15.938 0.462 -1.894
67 HD2 TYR 10 HD2 TYR 10 18.856 -1.351 0.616
68 HE1 TYR 10 HE1 TYR 10 16.037 -1.468 -3.414
69 HE2 TYR 10 HE2 TYR 10 18.964 -3.286 -0.897
70 HH TYR 10 HH TYR 10 17.368 -4.378 -2.606
71 HN1 NH2 11 HN1 NH2 11 16.066 3.128 0.793
72 HN2 NH2 11 HN2 NH2 11 16.102 3.965 2.329
73 H1 ASP 1 H1 ASP 1 0.258 -8.172 1.034
74 H2 ASP 1 H2 ASP 1 0.182 -7.525 2.622
75 H3 ASP 1 H3 ASP 1 1.144 -6.757 1.425
76 HA ASP 1 HA ASP 1 -1.728 -7.115 1.032
77 HB2 ASP 1 HB3 ASP 1 -0.312 -5.000 2.664
78 HB3 ASP 1 HB2 ASP 1 -1.937 -4.785 2.017
79 H ALA 2 H ALA 2 -2.530 -5.581 -0.495
80 HA ALA 2 HA ALA 2 -0.432 -4.380 -2.186
81 HB1 ALA 2 HB1 ALA 2 -3.049 -5.116 -3.374
82 HB2 ALA 2 HB2 ALA 2 -1.922 -6.418 -2.996
83 HB3 ALA 2 HB3 ALA 2 -1.438 -5.121 -4.090
84 H GLU 3 H GLU 3 -1.707 -2.780 -3.808
85 HA GLU 3 HA GLU 3 -2.333 -0.517 -2.327
86 HB2 GLU 3 HB3 GLU 3 -1.672 -0.582 -4.747
87 HB3 GLU 3 HB2 GLU 3 -3.312 -1.089 -5.126
88 HG2 GLU 3 HG3 GLU 3 -3.428 1.167 -5.503
89 HG3 GLU 3 HG2 GLU 3 -3.989 1.064 -3.836
90 H PHE 4 H PHE 4 -4.449 -3.023 -3.604
91 HA PHE 4 HA PHE 4 -6.876 -1.672 -2.999
92 HB2 PHE 4 HB3 PHE 4 -7.974 -3.762 -3.479
93 HB3 PHE 4 HB2 PHE 4 -6.670 -3.551 -4.642
94 HD1 PHE 4 HD1 PHE 4 -7.588 -5.281 -1.498
95 HD2 PHE 4 HD2 PHE 4 -5.000 -5.171 -4.874
96 HE1 PHE 4 HE1 PHE 4 -6.698 -7.490 -0.882
97 HE2 PHE 4 HE2 PHE 4 -4.104 -7.379 -4.263
98 HZ PHE 4 HZ PHE 4 -4.954 -8.542 -2.266
99 H ARG 5 H ARG 5 -4.714 -3.746 -1.214
100 HA ARG 5 HA ARG 5 -6.555 -4.114 0.980
101 HB2 ARG 5 HB3 ARG 5 -4.825 -5.808 0.257
102 HB3 ARG 5 HB2 ARG 5 -3.604 -4.733 0.924
103 HG2 ARG 5 HG3 ARG 5 -4.052 -6.378 2.558
104 HG3 ARG 5 HG2 ARG 5 -4.802 -4.881 3.115
105 HD2 ARG 5 HD3 ARG 5 -6.965 -5.656 2.278
106 HD3 ARG 5 HD2 ARG 5 -6.216 -7.150 1.718
107 HE ARG 5 HE ARG 5 -6.926 -6.462 4.430
108 HH11 ARG 5 HH11 ARG 5 -4.992 -8.526 2.383
109 HH12 ARG 5 HH12 ARG 5 -4.830 -9.767 3.579
110 HH21 ARG 5 HH21 ARG 5 -6.711 -8.095 6.003
111 HH22 ARG 5 HH22 ARG 5 -5.805 -9.524 5.632
112 H HIS 6 H HIS 6 -3.712 -2.156 0.249
113 HA HIS 6 HA HIS 6 -3.325 -1.073 2.824
114 HB2 HIS 6 HB3 HIS 6 -2.742 0.276 0.180
115 HB3 HIS 6 HB2 HIS 6 -2.013 0.654 1.734
116 HD1 HIS 6 HD1 HIS 6 -1.071 -2.083 2.683
117 HD2 HIS 6 HD2 HIS 6 -0.761 -0.772 -1.246
118 HE1 HIS 6 HE1 HIS 6 0.801 -3.427 1.626
119 H HIS 7 H HIS 7 -5.288 -0.097 0.082
120 HA HIS 7 HA HIS 7 -6.342 2.192 1.556
121 HB2 HIS 7 HB3 HIS 7 -6.810 1.286 -1.293
122 HB3 HIS 7 HB2 HIS 7 -7.443 2.765 -0.582
123 HD1 HIS 7 HD1 HIS 7 -6.044 4.782 -1.022
124 HD2 HIS 7 HD2 HIS 7 -3.817 1.274 -1.170
125 HE1 HIS 7 HE1 HIS 7 -3.698 5.453 -1.688
126 H SER 8 H SER 8 -8.399 2.339 2.297
127 HA SER 8 HA SER 8 -10.093 -0.053 1.985
128 HB2 SER 8 HB3 SER 8 -9.314 0.209 4.285
129 HB3 SER 8 HB2 SER 8 -9.921 1.865 4.324
130 HG SER 8 HG SER 8 -11.230 -0.391 4.859
131 H GLY 9 H GLY 9 -12.200 0.189 1.403
132 HA2 GLY 9 HA3 GLY 9 -14.221 1.510 1.271
133 HA3 GLY 9 HA2 GLY 9 -13.215 2.940 1.096
134 H TYR 10 H TYR 10 -15.335 2.307 -0.632
135 HA TYR 10 HA TYR 10 -14.002 1.398 -3.083
136 HB2 TYR 10 HB3 TYR 10 -16.253 1.169 -4.019
137 HB3 TYR 10 HB2 TYR 10 -16.110 0.274 -2.510
138 HD1 TYR 10 HD1 TYR 10 -17.310 0.985 -0.521
139 HD2 TYR 10 HD2 TYR 10 -17.656 3.146 -4.168
140 HE1 TYR 10 HE1 TYR 10 -19.279 2.159 0.369
141 HE2 TYR 10 HE2 TYR 10 -19.626 4.328 -3.289
142 HH TYR 10 HH TYR 10 -21.443 3.404 -0.977
143 HN1 NH2 11 HN1 NH2 11 -14.914 4.285 -1.470
144 HN2 NH2 11 HN2 NH2 11 -14.881 5.351 -2.857
Start of MODEL 4
1 H1 ASP 1 H1 ASP 1 -1.630 6.406 -0.794
2 H2 ASP 1 H2 ASP 1 -0.853 7.688 -1.630
3 H3 ASP 1 H3 ASP 1 -0.928 7.699 0.084
4 HA ASP 1 HA ASP 1 1.232 7.064 -0.878
5 HB2 ASP 1 HB3 ASP 1 -0.325 5.214 0.934
6 HB3 ASP 1 HB2 ASP 1 1.415 5.078 0.691
7 H ALA 2 H ALA 2 2.471 5.185 -1.614
8 HA ALA 2 HA ALA 2 0.906 3.438 -3.402
9 HB1 ALA 2 HB1 ALA 2 3.632 3.851 -4.286
10 HB2 ALA 2 HB2 ALA 2 2.745 5.370 -4.172
11 HB3 ALA 2 HB3 ALA 2 2.119 4.056 -5.165
12 H GLU 3 H GLU 3 2.424 1.549 -4.163
13 HA GLU 3 HA GLU 3 2.823 -0.159 -2.034
14 HB2 GLU 3 HB3 GLU 3 2.739 -0.643 -4.572
15 HB3 GLU 3 HB2 GLU 3 4.474 -0.367 -4.538
16 HG2 GLU 3 HG3 GLU 3 4.220 -2.680 -4.351
17 HG3 GLU 3 HG2 GLU 3 4.567 -2.129 -2.713
18 H PHE 4 H PHE 4 5.098 2.083 -3.511
19 HA PHE 4 HA PHE 4 7.388 1.136 -2.117
20 HB2 PHE 4 HB3 PHE 4 8.464 3.201 -2.871
21 HB3 PHE 4 HB2 PHE 4 7.570 2.450 -4.188
22 HD1 PHE 4 HD1 PHE 4 7.340 5.114 -1.615
23 HD2 PHE 4 HD2 PHE 4 5.977 3.659 -5.374
24 HE1 PHE 4 HE1 PHE 4 6.132 7.225 -1.989
25 HE2 PHE 4 HE2 PHE 4 4.768 5.767 -5.757
26 HZ PHE 4 HZ PHE 4 4.845 7.555 -4.063
27 H ARG 5 H ARG 5 4.855 3.417 -1.383
28 HA ARG 5 HA ARG 5 6.226 4.520 0.902
29 HB2 ARG 5 HB3 ARG 5 4.616 5.817 -0.516
30 HB3 ARG 5 HB2 ARG 5 3.323 4.817 0.134
31 HG2 ARG 5 HG3 ARG 5 3.236 6.723 1.439
32 HG3 ARG 5 HG2 ARG 5 4.157 5.595 2.434
33 HD2 ARG 5 HD3 ARG 5 6.244 6.629 1.563
34 HD3 ARG 5 HD2 ARG 5 5.254 7.819 0.718
35 HE ARG 5 HE ARG 5 4.769 7.639 3.559
36 HH11 ARG 5 HH11 ARG 5 6.618 9.185 1.033
37 HH12 ARG 5 HH12 ARG 5 6.979 10.586 1.985
38 HH21 ARG 5 HH21 ARG 5 5.245 9.481 4.809
39 HH22 ARG 5 HH22 ARG 5 6.201 10.754 4.128
40 H HIS 6 H HIS 6 3.655 2.181 0.297
41 HA HIS 6 HA HIS 6 2.905 1.819 3.007
42 HB2 HIS 6 HB3 HIS 6 2.666 -0.170 0.744
43 HB3 HIS 6 HB2 HIS 6 1.752 -0.180 2.247
44 HD1 HIS 6 HD1 HIS 6 0.395 2.360 2.505
45 HD2 HIS 6 HD2 HIS 6 1.200 0.772 -1.246
46 HE1 HIS 6 HE1 HIS 6 -1.215 3.473 0.904
47 H HIS 7 H HIS 7 5.211 0.206 0.897
48 HA HIS 7 HA HIS 7 6.066 -1.517 3.105
49 HB2 HIS 7 HB3 HIS 7 6.840 -1.569 0.182
50 HB3 HIS 7 HB2 HIS 7 7.315 -2.755 1.392
51 HD1 HIS 7 HD1 HIS 7 5.678 -4.646 1.850
52 HD2 HIS 7 HD2 HIS 7 4.034 -1.595 -0.444
53 HE1 HIS 7 HE1 HIS 7 3.439 -5.492 1.032
54 H SER 8 H SER 8 7.785 -1.016 4.279
55 HA SER 8 HA SER 8 9.813 0.778 3.114
56 HB2 SER 8 HB3 SER 8 8.857 0.665 5.986
57 HB3 SER 8 HB2 SER 8 10.185 1.666 5.400
58 HG SER 8 HG SER 8 8.781 2.917 4.307
59 H GLY 9 H GLY 9 11.982 0.400 3.663
60 HA2 GLY 9 HA3 GLY 9 13.770 -0.780 4.616
61 HA3 GLY 9 HA2 GLY 9 12.623 -1.927 5.293
62 H TYR 10 H TYR 10 14.715 -3.109 4.314
63 HA TYR 10 HA TYR 10 14.430 -3.698 1.496
64 HB2 TYR 10 HB3 TYR 10 16.295 -4.751 3.625
65 HB3 TYR 10 HB2 TYR 10 16.321 -5.306 1.955
66 HD1 TYR 10 HD1 TYR 10 17.080 -2.528 4.214
67 HD2 TYR 10 HD2 TYR 10 17.140 -3.866 0.176
68 HE1 TYR 10 HE1 TYR 10 18.570 -0.663 3.625
69 HE2 TYR 10 HE2 TYR 10 18.632 -2.005 -0.426
70 HH TYR 10 HH TYR 10 20.439 -0.449 1.352
71 HN1 NH2 11 HN1 NH2 11 12.426 -4.777 1.194
72 HN2 NH2 11 HN2 NH2 11 12.106 -6.350 1.889
73 H1 ASP 1 H1 ASP 1 1.047 -7.539 1.693
74 H2 ASP 1 H2 ASP 1 1.410 -5.871 1.514
75 H3 ASP 1 H3 ASP 1 1.688 -6.957 0.214
76 HA ASP 1 HA ASP 1 -0.750 -7.440 0.305
77 HB2 ASP 1 HB3 ASP 1 -0.796 -4.761 1.696
78 HB3 ASP 1 HB2 ASP 1 -2.144 -5.846 1.387
79 H ALA 2 H ALA 2 -2.256 -5.810 -0.912
80 HA ALA 2 HA ALA 2 -0.568 -4.386 -2.866
81 HB1 ALA 2 HB1 ALA 2 -1.616 -5.548 -4.437
82 HB2 ALA 2 HB2 ALA 2 -3.155 -4.849 -3.929
83 HB3 ALA 2 HB3 ALA 2 -2.589 -6.355 -3.209
84 H GLU 3 H GLU 3 -1.965 -2.698 -4.111
85 HA GLU 3 HA GLU 3 -2.463 -0.558 -2.439
86 HB2 GLU 3 HB3 GLU 3 -2.117 -0.621 -4.991
87 HB3 GLU 3 HB2 GLU 3 -3.855 -0.864 -5.086
88 HG2 GLU 3 HG3 GLU 3 -3.830 1.385 -5.249
89 HG3 GLU 3 HG2 GLU 3 -3.837 1.263 -3.490
90 H PHE 4 H PHE 4 -4.693 -3.035 -3.566
91 HA PHE 4 HA PHE 4 -7.047 -1.706 -2.685
92 HB2 PHE 4 HB3 PHE 4 -8.196 -3.784 -3.096
93 HB3 PHE 4 HB2 PHE 4 -7.035 -3.523 -4.391
94 HD1 PHE 4 HD1 PHE 4 -7.898 -5.561 -1.485
95 HD2 PHE 4 HD2 PHE 4 -5.095 -4.941 -4.626
96 HE1 PHE 4 HE1 PHE 4 -6.951 -7.793 -1.075
97 HE2 PHE 4 HE2 PHE 4 -4.142 -7.173 -4.222
98 HZ PHE 4 HZ PHE 4 -5.071 -8.602 -2.446
99 H ARG 5 H ARG 5 -4.754 -3.881 -1.182
100 HA ARG 5 HA ARG 5 -6.338 -4.390 1.146
101 HB2 ARG 5 HB3 ARG 5 -3.398 -4.714 0.565
102 HB3 ARG 5 HB2 ARG 5 -4.124 -5.158 2.104
103 HG2 ARG 5 HG3 ARG 5 -5.719 -6.581 0.630
104 HG3 ARG 5 HG2 ARG 5 -4.441 -6.422 -0.575
105 HD2 ARG 5 HD3 ARG 5 -2.992 -7.722 0.598
106 HD3 ARG 5 HD2 ARG 5 -3.615 -7.193 2.159
107 HE ARG 5 HE ARG 5 -5.230 -8.863 2.070
108 HH11 ARG 5 HH11 ARG 5 -3.351 -8.806 -0.876
109 HH12 ARG 5 HH12 ARG 5 -3.901 -10.362 -1.398
110 HH21 ARG 5 HH21 ARG 5 -5.950 -10.905 1.379
111 HH22 ARG 5 HH22 ARG 5 -5.375 -11.552 -0.122
112 H HIS 6 H HIS 6 -3.697 -2.199 0.339
113 HA HIS 6 HA HIS 6 -3.464 -1.012 2.903
114 HB2 HIS 6 HB3 HIS 6 -2.798 0.250 0.239
115 HB3 HIS 6 HB2 HIS 6 -2.146 0.701 1.810
116 HD1 HIS 6 HD1 HIS 6 -0.769 -1.498 2.981
117 HD2 HIS 6 HD2 HIS 6 -1.159 -1.291 -1.148
118 HE1 HIS 6 HE1 HIS 6 1.041 -2.989 2.018
119 H HIS 7 H HIS 7 -5.323 -0.225 0.026
120 HA HIS 7 HA HIS 7 -6.585 2.024 1.418
121 HB2 HIS 7 HB3 HIS 7 -6.733 1.194 -1.488
122 HB3 HIS 7 HB2 HIS 7 -7.476 2.632 -0.798
123 HD1 HIS 7 HD1 HIS 7 -6.092 4.706 -0.959
124 HD2 HIS 7 HD2 HIS 7 -3.785 1.255 -1.173
125 HE1 HIS 7 HE1 HIS 7 -3.723 5.461 -1.417
126 H SER 8 H SER 8 -7.795 0.594 2.824
127 HA SER 8 HA SER 8 -10.227 -0.398 1.507
128 HB2 SER 8 HB3 SER 8 -8.836 -2.345 2.034
129 HB3 SER 8 HB2 SER 8 -8.711 -1.816 3.712
130 HG SER 8 HG SER 8 -11.038 -2.664 2.332
131 H GLY 9 H GLY 9 -12.099 0.157 2.474
132 HA2 GLY 9 HA3 GLY 9 -13.557 1.083 3.988
133 HA3 GLY 9 HA2 GLY 9 -12.380 0.714 5.239
134 H TYR 10 H TYR 10 -14.130 3.117 4.542
135 HA TYR 10 HA TYR 10 -12.001 5.148 4.447
136 HB2 TYR 10 HB3 TYR 10 -13.872 6.722 3.844
137 HB3 TYR 10 HB2 TYR 10 -13.540 5.474 2.648
138 HD1 TYR 10 HD1 TYR 10 -15.122 3.649 2.285
139 HD2 TYR 10 HD2 TYR 10 -15.945 6.737 5.092
140 HE1 TYR 10 HE1 TYR 10 -17.481 2.958 2.342
141 HE2 TYR 10 HE2 TYR 10 -18.307 6.055 5.158
142 HH TYR 10 HH TYR 10 -19.646 3.848 2.903
143 HN1 NH2 11 HN1 NH2 11 -14.184 3.604 6.579
144 HN2 NH2 11 HN2 NH2 11 -14.192 4.819 7.837
Start of MODEL 5
1 H1 ASP 1 H1 ASP 1 -0.570 7.727 -2.078
2 H2 ASP 1 H2 ASP 1 -0.915 7.683 -0.398
3 H3 ASP 1 H3 ASP 1 -1.554 6.478 -1.440
4 HA ASP 1 HA ASP 1 1.328 6.898 -1.158
5 HB2 ASP 1 HB3 ASP 1 -0.526 5.237 0.563
6 HB3 ASP 1 HB2 ASP 1 1.226 5.040 0.537
7 H ALA 2 H ALA 2 2.505 5.074 -1.892
8 HA ALA 2 HA ALA 2 0.944 3.220 -3.573
9 HB1 ALA 2 HB1 ALA 2 2.960 5.057 -4.344
10 HB2 ALA 2 HB2 ALA 2 2.104 3.883 -5.344
11 HB3 ALA 2 HB3 ALA 2 3.608 3.429 -4.543
12 H GLU 3 H GLU 3 2.540 1.309 -4.227
13 HA GLU 3 HA GLU 3 2.853 -0.301 -2.007
14 HB2 GLU 3 HB3 GLU 3 2.887 -0.909 -4.516
15 HB3 GLU 3 HB2 GLU 3 4.614 -0.598 -4.427
16 HG2 GLU 3 HG3 GLU 3 4.456 -2.887 -4.118
17 HG3 GLU 3 HG2 GLU 3 4.613 -2.263 -2.477
18 H PHE 4 H PHE 4 5.196 1.858 -3.515
19 HA PHE 4 HA PHE 4 7.403 1.023 -1.928
20 HB2 PHE 4 HB3 PHE 4 8.538 3.003 -2.781
21 HB3 PHE 4 HB2 PHE 4 7.689 2.185 -4.087
22 HD1 PHE 4 HD1 PHE 4 7.753 5.147 -1.931
23 HD2 PHE 4 HD2 PHE 4 5.826 3.214 -5.194
24 HE1 PHE 4 HE1 PHE 4 6.622 7.254 -2.506
25 HE2 PHE 4 HE2 PHE 4 4.690 5.317 -5.775
26 HZ PHE 4 HZ PHE 4 5.087 7.340 -4.431
27 H ARG 5 H ARG 5 4.864 3.397 -1.546
28 HA ARG 5 HA ARG 5 6.072 4.705 0.699
29 HB2 ARG 5 HB3 ARG 5 4.363 5.708 -0.900
30 HB3 ARG 5 HB2 ARG 5 3.153 4.755 -0.051
31 HG2 ARG 5 HG3 ARG 5 2.968 6.718 1.077
32 HG3 ARG 5 HG2 ARG 5 4.200 5.925 2.060
33 HD2 ARG 5 HD3 ARG 5 5.895 7.257 1.247
34 HD3 ARG 5 HD2 ARG 5 5.040 7.609 -0.253
35 HE ARG 5 HE ARG 5 4.113 9.428 0.762
36 HH11 ARG 5 HH11 ARG 5 5.247 7.246 3.240
37 HH12 ARG 5 HH12 ARG 5 4.895 8.338 4.537
38 HH21 ARG 5 HH21 ARG 5 3.650 10.864 2.466
39 HH22 ARG 5 HH22 ARG 5 3.986 10.393 4.098
40 H HIS 6 H HIS 6 3.606 2.223 0.234
41 HA HIS 6 HA HIS 6 2.927 1.973 2.991
42 HB2 HIS 6 HB3 HIS 6 2.621 -0.080 0.790
43 HB3 HIS 6 HB2 HIS 6 1.767 -0.063 2.330
44 HD1 HIS 6 HD1 HIS 6 0.337 2.411 2.591
45 HD2 HIS 6 HD2 HIS 6 1.118 0.845 -1.176
46 HE1 HIS 6 HE1 HIS 6 -1.329 3.482 1.018
47 H HIS 7 H HIS 7 5.014 0.144 0.805
48 HA HIS 7 HA HIS 7 5.999 -1.502 2.983
49 HB2 HIS 7 HB3 HIS 7 6.696 -1.473 0.040
50 HB3 HIS 7 HB2 HIS 7 7.280 -2.653 1.208
51 HD1 HIS 7 HD1 HIS 7 5.713 -4.587 1.794
52 HD2 HIS 7 HD2 HIS 7 3.918 -1.674 -0.569
53 HE1 HIS 7 HE1 HIS 7 3.504 -5.550 1.023
54 H SER 8 H SER 8 8.042 -1.452 3.817
55 HA SER 8 HA SER 8 9.569 0.985 3.289
56 HB2 SER 8 HB3 SER 8 9.346 -0.905 5.587
57 HB3 SER 8 HB2 SER 8 10.862 -0.027 5.381
58 HG SER 8 HG SER 8 9.533 1.910 5.296
59 H GLY 9 H GLY 9 11.410 0.970 2.176
60 HA2 GLY 9 HA3 GLY 9 13.631 -0.157 1.982
61 HA3 GLY 9 HA2 GLY 9 12.723 -1.639 1.720
62 H TYR 10 H TYR 10 12.385 -2.232 -0.316
63 HA TYR 10 HA TYR 10 12.811 -0.223 -2.424
64 HB2 TYR 10 HB3 TYR 10 13.082 -3.234 -2.552
65 HB3 TYR 10 HB2 TYR 10 13.364 -2.128 -3.893
66 HD1 TYR 10 HD1 TYR 10 14.509 -2.744 -0.391
67 HD2 TYR 10 HD2 TYR 10 15.527 -1.411 -4.300
68 HE1 TYR 10 HE1 TYR 10 16.855 -2.509 0.308
69 HE2 TYR 10 HE2 TYR 10 17.876 -1.173 -3.613
70 HH TYR 10 HH TYR 10 18.940 -0.855 -0.772
71 HN1 NH2 11 HN1 NH2 11 10.229 -1.138 -0.858
72 HN2 NH2 11 HN2 NH2 11 9.093 -1.438 -2.154
73 H1 ASP 1 H1 ASP 1 0.685 -7.511 1.880
74 H2 ASP 1 H2 ASP 1 1.518 -6.543 0.735
75 H3 ASP 1 H3 ASP 1 0.758 -7.998 0.237
76 HA ASP 1 HA ASP 1 -1.339 -7.149 0.488
77 HB2 ASP 1 HB3 ASP 1 0.031 -4.929 2.022
78 HB3 ASP 1 HB2 ASP 1 -1.669 -4.890 1.563
79 H ALA 2 H ALA 2 -2.390 -5.552 -0.858
80 HA ALA 2 HA ALA 2 -0.532 -4.222 -2.724
81 HB1 ALA 2 HB1 ALA 2 -3.111 -4.800 -3.894
82 HB2 ALA 2 HB2 ALA 2 -2.334 -6.267 -3.298
83 HB3 ALA 2 HB3 ALA 2 -1.497 -5.234 -4.456
84 H GLU 3 H GLU 3 -1.872 -2.547 -4.089
85 HA GLU 3 HA GLU 3 -2.498 -0.408 -2.470
86 HB2 GLU 3 HB3 GLU 3 -2.066 -0.507 -5.015
87 HB3 GLU 3 HB2 GLU 3 -3.801 -0.757 -5.154
88 HG2 GLU 3 HG3 GLU 3 -3.479 1.539 -5.447
89 HG3 GLU 3 HG2 GLU 3 -4.073 1.361 -3.796
90 H PHE 4 H PHE 4 -4.632 -2.915 -3.714
91 HA PHE 4 HA PHE 4 -7.050 -1.668 -2.890
92 HB2 PHE 4 HB3 PHE 4 -8.089 -3.852 -3.302
93 HB3 PHE 4 HB2 PHE 4 -7.019 -3.404 -4.625
94 HD1 PHE 4 HD1 PHE 4 -7.231 -5.479 -1.563
95 HD2 PHE 4 HD2 PHE 4 -5.281 -4.813 -5.286
96 HE1 PHE 4 HE1 PHE 4 -6.051 -7.625 -1.326
97 HE2 PHE 4 HE2 PHE 4 -4.098 -6.957 -5.055
98 HZ PHE 4 HZ PHE 4 -4.483 -8.367 -3.073
99 H ARG 5 H ARG 5 -4.728 -3.768 -1.345
100 HA ARG 5 HA ARG 5 -6.409 -4.345 0.918
101 HB2 ARG 5 HB3 ARG 5 -4.650 -5.906 0.130
102 HB3 ARG 5 HB2 ARG 5 -3.430 -4.724 0.586
103 HG2 ARG 5 HG3 ARG 5 -3.529 -6.336 2.312
104 HG3 ARG 5 HG2 ARG 5 -4.292 -4.871 2.930
105 HD2 ARG 5 HD3 ARG 5 -6.442 -5.781 2.748
106 HD3 ARG 5 HD2 ARG 5 -5.900 -7.066 1.667
107 HE ARG 5 HE ARG 5 -4.745 -7.138 4.312
108 HH11 ARG 5 HH11 ARG 5 -7.376 -8.201 2.279
109 HH12 ARG 5 HH12 ARG 5 -7.735 -9.585 3.256
110 HH21 ARG 5 HH21 ARG 5 -5.215 -8.959 5.594
111 HH22 ARG 5 HH22 ARG 5 -6.509 -10.016 5.137
112 H HIS 6 H HIS 6 -3.744 -2.149 0.190
113 HA HIS 6 HA HIS 6 -3.460 -1.131 2.828
114 HB2 HIS 6 HB3 HIS 6 -2.772 0.264 0.236
115 HB3 HIS 6 HB2 HIS 6 -2.116 0.619 1.830
116 HD1 HIS 6 HD1 HIS 6 -0.833 -1.722 2.878
117 HD2 HIS 6 HD2 HIS 6 -1.095 -1.161 -1.228
118 HE1 HIS 6 HE1 HIS 6 0.977 -3.163 1.846
119 H HIS 7 H HIS 7 -5.313 -0.136 0.008
120 HA HIS 7 HA HIS 7 -6.445 2.125 1.461
121 HB2 HIS 7 HB3 HIS 7 -6.801 1.229 -1.406
122 HB3 HIS 7 HB2 HIS 7 -7.494 2.689 -0.711
123 HD1 HIS 7 HD1 HIS 7 -6.123 4.739 -1.087
124 HD2 HIS 7 HD2 HIS 7 -3.820 1.279 -1.175
125 HE1 HIS 7 HE1 HIS 7 -3.773 5.463 -1.673
126 H SER 8 H SER 8 -8.545 2.286 2.086
127 HA SER 8 HA SER 8 -10.303 -0.013 1.548
128 HB2 SER 8 HB3 SER 8 -9.240 0.055 3.901
129 HB3 SER 8 HB2 SER 8 -10.312 1.424 4.197
130 HG SER 8 HG SER 8 -12.025 -0.081 3.436
131 H GLY 9 H GLY 9 -12.110 0.606 0.570
132 HA2 GLY 9 HA3 GLY 9 -14.035 2.297 1.289
133 HA3 GLY 9 HA2 GLY 9 -12.870 3.417 0.604
134 H TYR 10 H TYR 10 -14.968 3.709 -0.721
135 HA TYR 10 HA TYR 10 -15.665 1.779 -2.662
136 HB2 TYR 10 HB3 TYR 10 -16.835 3.652 -3.788
137 HB3 TYR 10 HB2 TYR 10 -17.202 3.563 -2.069
138 HD1 TYR 10 HD1 TYR 10 -16.416 5.280 -0.537
139 HD2 TYR 10 HD2 TYR 10 -15.529 5.492 -4.693
140 HE1 TYR 10 HE1 TYR 10 -15.751 7.632 -0.269
141 HE2 TYR 10 HE2 TYR 10 -14.862 7.845 -4.436
142 HH TYR 10 HH TYR 10 -15.669 9.731 -2.003
143 HN1 NH2 11 HN1 NH2 11 -12.697 3.006 -2.362
144 HN2 NH2 11 HN2 NH2 11 -12.241 3.196 -4.040
Start of MODEL 6
1 H1 ASP 1 H1 ASP 1 -0.908 7.876 0.111
2 H2 ASP 1 H2 ASP 1 -1.530 6.277 0.071
3 H3 ASP 1 H3 ASP 1 -1.324 7.158 -1.388
4 HA ASP 1 HA ASP 1 1.082 7.269 -0.820
5 HB2 ASP 1 HB3 ASP 1 0.081 5.202 1.147
6 HB3 ASP 1 HB2 ASP 1 1.772 5.335 0.677
7 H ALA 2 H ALA 2 2.490 5.322 -1.490
8 HA ALA 2 HA ALA 2 0.957 3.646 -3.370
9 HB1 ALA 2 HB1 ALA 2 3.619 3.865 -4.281
10 HB2 ALA 2 HB2 ALA 2 3.078 5.491 -3.869
11 HB3 ALA 2 HB3 ALA 2 2.157 4.520 -5.018
12 H GLU 3 H GLU 3 2.437 1.749 -4.146
13 HA GLU 3 HA GLU 3 2.724 -0.048 -2.066
14 HB2 GLU 3 HB3 GLU 3 2.603 -0.506 -4.572
15 HB3 GLU 3 HB2 GLU 3 4.333 -0.202 -4.606
16 HG2 GLU 3 HG3 GLU 3 4.131 -2.521 -4.462
17 HG3 GLU 3 HG2 GLU 3 4.529 -2.002 -2.826
18 H PHE 4 H PHE 4 5.166 2.052 -3.513
19 HA PHE 4 HA PHE 4 7.356 0.951 -2.085
20 HB2 PHE 4 HB3 PHE 4 8.628 2.816 -2.887
21 HB3 PHE 4 HB2 PHE 4 7.533 2.339 -4.178
22 HD1 PHE 4 HD1 PHE 4 8.478 4.949 -1.855
23 HD2 PHE 4 HD2 PHE 4 5.560 3.727 -4.701
24 HE1 PHE 4 HE1 PHE 4 7.641 7.258 -1.982
25 HE2 PHE 4 HE2 PHE 4 4.720 6.036 -4.836
26 HZ PHE 4 HZ PHE 4 5.759 7.805 -3.474
27 H ARG 5 H ARG 5 4.953 3.356 -1.361
28 HA ARG 5 HA ARG 5 6.350 4.376 0.948
29 HB2 ARG 5 HB3 ARG 5 4.837 5.778 -0.445
30 HB3 ARG 5 HB2 ARG 5 3.483 4.805 0.109
31 HG2 ARG 5 HG3 ARG 5 3.296 6.008 1.956
32 HG3 ARG 5 HG2 ARG 5 4.994 5.758 2.354
33 HD2 ARG 5 HD3 ARG 5 4.132 7.771 0.303
34 HD3 ARG 5 HD2 ARG 5 4.180 8.167 2.018
35 HE ARG 5 HE ARG 5 6.592 7.525 1.910
36 HH11 ARG 5 HH11 ARG 5 4.927 8.624 -0.967
37 HH12 ARG 5 HH12 ARG 5 6.375 9.174 -1.734
38 HH21 ARG 5 HH21 ARG 5 8.484 8.255 0.891
39 HH22 ARG 5 HH22 ARG 5 8.390 8.968 -0.685
40 H HIS 6 H HIS 6 3.682 2.157 0.302
41 HA HIS 6 HA HIS 6 2.874 1.803 2.989
42 HB2 HIS 6 HB3 HIS 6 2.659 -0.202 0.733
43 HB3 HIS 6 HB2 HIS 6 1.699 -0.174 2.208
44 HD1 HIS 6 HD1 HIS 6 0.542 2.548 2.354
45 HD2 HIS 6 HD2 HIS 6 1.120 0.600 -1.266
46 HE1 HIS 6 HE1 HIS 6 -1.016 3.649 0.695
47 H HIS 7 H HIS 7 5.198 0.139 0.939
48 HA HIS 7 HA HIS 7 5.983 -1.585 3.169
49 HB2 HIS 7 HB3 HIS 7 6.803 -1.652 0.259
50 HB3 HIS 7 HB2 HIS 7 7.266 -2.832 1.480
51 HD1 HIS 7 HD1 HIS 7 5.627 -4.721 1.929
52 HD2 HIS 7 HD2 HIS 7 4.009 -1.680 -0.399
53 HE1 HIS 7 HE1 HIS 7 3.392 -5.567 1.101
54 H SER 8 H SER 8 8.091 -1.682 3.940
55 HA SER 8 HA SER 8 10.059 0.205 2.931
56 HB2 SER 8 HB3 SER 8 8.473 0.717 5.299
57 HB3 SER 8 HB2 SER 8 10.184 0.601 5.708
58 HG SER 8 HG SER 8 9.316 2.730 5.007
59 H GLY 9 H GLY 9 11.052 -1.837 2.382
60 HA2 GLY 9 HA3 GLY 9 12.648 -2.857 4.615
61 HA3 GLY 9 HA2 GLY 9 11.706 -4.019 3.690
62 H TYR 10 H TYR 10 14.548 -2.094 3.802
63 HA TYR 10 HA TYR 10 15.260 -2.529 1.035
64 HB2 TYR 10 HB3 TYR 10 16.843 -1.385 3.343
65 HB3 TYR 10 HB2 TYR 10 17.394 -1.427 1.672
66 HD1 TYR 10 HD1 TYR 10 15.105 0.161 4.048
67 HD2 TYR 10 HD2 TYR 10 16.429 0.057 0.006
68 HE1 TYR 10 HE1 TYR 10 13.998 2.317 3.635
69 HE2 TYR 10 HE2 TYR 10 15.326 2.213 -0.417
70 HH TYR 10 HH TYR 10 14.593 4.202 0.925
71 HN1 NH2 11 HN1 NH2 11 17.689 -3.396 0.690
72 HN2 NH2 11 HN2 NH2 11 18.006 -4.922 1.483
73 H1 ASP 1 H1 ASP 1 1.641 -6.483 0.560
74 H2 ASP 1 H2 ASP 1 1.052 -7.959 -0.088
75 H3 ASP 1 H3 ASP 1 0.867 -7.619 1.585
76 HA ASP 1 HA ASP 1 -1.131 -7.346 0.148
77 HB2 ASP 1 HB3 ASP 1 0.004 -5.215 1.954
78 HB3 ASP 1 HB2 ASP 1 -1.635 -5.115 1.320
79 H ALA 2 H ALA 2 -2.295 -5.782 -1.134
80 HA ALA 2 HA ALA 2 -0.517 -4.244 -2.913
81 HB1 ALA 2 HB1 ALA 2 -1.557 -5.101 -4.691
82 HB2 ALA 2 HB2 ALA 2 -3.153 -4.834 -3.987
83 HB3 ALA 2 HB3 ALA 2 -2.242 -6.288 -3.579
84 H GLU 3 H GLU 3 -1.952 -2.555 -4.174
85 HA GLU 3 HA GLU 3 -2.506 -0.458 -2.497
86 HB2 GLU 3 HB3 GLU 3 -2.331 -0.645 -5.123
87 HB3 GLU 3 HB2 GLU 3 -4.085 -0.696 -5.018
88 HG2 GLU 3 HG3 GLU 3 -3.866 1.533 -5.191
89 HG3 GLU 3 HG2 GLU 3 -3.619 1.417 -3.450
90 H PHE 4 H PHE 4 -4.733 -2.954 -3.619
91 HA PHE 4 HA PHE 4 -7.065 -1.715 -2.571
92 HB2 PHE 4 HB3 PHE 4 -8.193 -3.812 -3.014
93 HB3 PHE 4 HB2 PHE 4 -7.136 -3.424 -4.366
94 HD1 PHE 4 HD1 PHE 4 -7.723 -5.683 -1.557
95 HD2 PHE 4 HD2 PHE 4 -5.175 -4.749 -4.835
96 HE1 PHE 4 HE1 PHE 4 -6.677 -7.902 -1.370
97 HE2 PHE 4 HE2 PHE 4 -4.123 -6.965 -4.654
98 HZ PHE 4 HZ PHE 4 -4.874 -8.546 -2.922
99 H ARG 5 H ARG 5 -4.621 -3.816 -1.255
100 HA ARG 5 HA ARG 5 -6.085 -4.567 1.089
101 HB2 ARG 5 HB3 ARG 5 -3.139 -4.591 0.437
102 HB3 ARG 5 HB2 ARG 5 -3.794 -5.194 1.952
103 HG2 ARG 5 HG3 ARG 5 -4.539 -6.240 -0.763
104 HG3 ARG 5 HG2 ARG 5 -3.317 -6.953 0.285
105 HD2 ARG 5 HD3 ARG 5 -5.098 -7.170 2.044
106 HD3 ARG 5 HD2 ARG 5 -6.270 -6.698 0.815
107 HE ARG 5 HE ARG 5 -5.034 -8.761 -0.362
108 HH11 ARG 5 HH11 ARG 5 -6.392 -8.398 2.833
109 HH12 ARG 5 HH12 ARG 5 -6.795 -10.075 2.987
110 HH21 ARG 5 HH21 ARG 5 -5.564 -10.967 -0.159
111 HH22 ARG 5 HH22 ARG 5 -6.325 -11.533 1.290
112 H HIS 6 H HIS 6 -3.631 -2.155 0.325
113 HA HIS 6 HA HIS 6 -3.495 -1.055 2.951
114 HB2 HIS 6 HB3 HIS 6 -2.733 0.303 0.365
115 HB3 HIS 6 HB2 HIS 6 -2.114 0.651 1.976
116 HD1 HIS 6 HD1 HIS 6 -0.686 -1.482 3.051
117 HD2 HIS 6 HD2 HIS 6 -1.222 -1.360 -1.066
118 HE1 HIS 6 HE1 HIS 6 1.058 -3.029 2.059
119 H HIS 7 H HIS 7 -5.222 -0.190 0.001
120 HA HIS 7 HA HIS 7 -6.521 2.042 1.360
121 HB2 HIS 7 HB3 HIS 7 -6.663 1.130 -1.522
122 HB3 HIS 7 HB2 HIS 7 -7.435 2.576 -0.876
123 HD1 HIS 7 HD1 HIS 7 -6.092 4.659 -1.173
124 HD2 HIS 7 HD2 HIS 7 -3.708 1.255 -1.097
125 HE1 HIS 7 HE1 HIS 7 -3.725 5.440 -1.595
126 H SER 8 H SER 8 -8.922 2.300 0.877
127 HA SER 8 HA SER 8 -10.238 -0.263 1.447
128 HB2 SER 8 HB3 SER 8 -10.518 1.428 3.188
129 HB3 SER 8 HB2 SER 8 -11.157 2.567 2.003
130 HG SER 8 HG SER 8 -13.028 1.607 2.100
131 H GLY 9 H GLY 9 -11.698 -1.099 0.086
132 HA2 GLY 9 HA3 GLY 9 -13.508 -0.925 -1.462
133 HA3 GLY 9 HA2 GLY 9 -12.886 0.639 -1.963
134 H TYR 10 H TYR 10 -13.611 -1.754 -3.536
135 HA TYR 10 HA TYR 10 -10.995 -2.333 -4.761
136 HB2 TYR 10 HB3 TYR 10 -12.056 -4.342 -5.718
137 HB3 TYR 10 HB2 TYR 10 -12.144 -4.335 -3.959
138 HD1 TYR 10 HD1 TYR 10 -14.275 -4.064 -2.820
139 HD2 TYR 10 HD2 TYR 10 -14.057 -4.081 -7.070
140 HE1 TYR 10 HE1 TYR 10 -16.710 -4.380 -2.938
141 HE2 TYR 10 HE2 TYR 10 -16.493 -4.396 -7.199
142 HH TYR 10 HH TYR 10 -18.472 -4.029 -5.841
143 HN1 NH2 11 HN1 NH2 11 -10.618 -1.778 -6.915
144 HN2 NH2 11 HN2 NH2 11 -11.827 -1.044 -7.944
Start of MODEL 7
1 H1 ASP 1 H1 ASP 1 -1.509 6.651 -0.723
2 H2 ASP 1 H2 ASP 1 -0.762 7.445 -2.049
3 H3 ASP 1 H3 ASP 1 -0.547 8.045 -0.456
4 HA ASP 1 HA ASP 1 1.400 6.948 -1.005
5 HB2 ASP 1 HB3 ASP 1 -0.452 5.290 0.715
6 HB3 ASP 1 HB2 ASP 1 1.279 4.986 0.598
7 H ALA 2 H ALA 2 2.532 5.122 -1.817
8 HA ALA 2 HA ALA 2 0.910 3.380 -3.561
9 HB1 ALA 2 HB1 ALA 2 2.648 5.253 -4.453
10 HB2 ALA 2 HB2 ALA 2 2.243 3.778 -5.330
11 HB3 ALA 2 HB3 ALA 2 3.705 3.845 -4.347
12 H GLU 3 H GLU 3 2.400 1.451 -4.312
13 HA GLU 3 HA GLU 3 2.739 -0.252 -2.167
14 HB2 GLU 3 HB3 GLU 3 2.589 -0.841 -4.631
15 HB3 GLU 3 HB2 GLU 3 4.304 -0.469 -4.736
16 HG2 GLU 3 HG3 GLU 3 4.251 -2.770 -4.472
17 HG3 GLU 3 HG2 GLU 3 4.594 -2.174 -2.850
18 H PHE 4 H PHE 4 4.964 2.091 -3.468
19 HA PHE 4 HA PHE 4 7.255 1.006 -2.103
20 HB2 PHE 4 HB3 PHE 4 8.443 2.962 -2.926
21 HB3 PHE 4 HB2 PHE 4 7.487 2.256 -4.223
22 HD1 PHE 4 HD1 PHE 4 7.419 4.950 -1.664
23 HD2 PHE 4 HD2 PHE 4 6.023 3.577 -5.443
24 HE1 PHE 4 HE1 PHE 4 6.365 7.136 -2.065
25 HE2 PHE 4 HE2 PHE 4 4.965 5.760 -5.849
26 HZ PHE 4 HZ PHE 4 5.135 7.544 -4.160
27 H ARG 5 H ARG 5 4.771 3.347 -1.431
28 HA ARG 5 HA ARG 5 6.177 4.514 0.802
29 HB2 ARG 5 HB3 ARG 5 4.617 5.850 -0.559
30 HB3 ARG 5 HB2 ARG 5 3.295 4.807 -0.055
31 HG2 ARG 5 HG3 ARG 5 3.290 6.873 1.204
32 HG3 ARG 5 HG2 ARG 5 3.623 5.502 2.262
33 HD2 ARG 5 HD3 ARG 5 6.016 6.013 2.165
34 HD3 ARG 5 HD2 ARG 5 5.681 7.382 1.106
35 HE ARG 5 HE ARG 5 4.183 7.670 3.459
36 HH11 ARG 5 HH11 ARG 5 7.502 7.749 2.385
37 HH12 ARG 5 HH12 ARG 5 8.005 8.860 3.615
38 HH21 ARG 5 HH21 ARG 5 4.842 9.132 5.077
39 HH22 ARG 5 HH22 ARG 5 6.497 9.644 5.144
40 H HIS 6 H HIS 6 3.563 2.195 0.302
41 HA HIS 6 HA HIS 6 2.851 1.907 3.028
42 HB2 HIS 6 HB3 HIS 6 2.572 -0.142 0.823
43 HB3 HIS 6 HB2 HIS 6 1.669 -0.095 2.332
44 HD1 HIS 6 HD1 HIS 6 0.290 2.410 2.538
45 HD2 HIS 6 HD2 HIS 6 1.156 0.818 -1.200
46 HE1 HIS 6 HE1 HIS 6 -1.300 3.516 0.912
47 H HIS 7 H HIS 7 5.096 0.202 0.921
48 HA HIS 7 HA HIS 7 5.971 -1.489 3.135
49 HB2 HIS 7 HB3 HIS 7 6.754 -1.495 0.212
50 HB3 HIS 7 HB2 HIS 7 7.290 -2.668 1.411
51 HD1 HIS 7 HD1 HIS 7 5.733 -4.622 1.886
52 HD2 HIS 7 HD2 HIS 7 3.953 -1.645 -0.405
53 HE1 HIS 7 HE1 HIS 7 3.531 -5.565 1.073
54 H SER 8 H SER 8 7.771 -1.116 4.263
55 HA SER 8 HA SER 8 9.753 0.763 3.162
56 HB2 SER 8 HB3 SER 8 8.782 0.632 6.027
57 HB3 SER 8 HB2 SER 8 10.085 1.664 5.439
58 HG SER 8 HG SER 8 8.118 2.800 5.529
59 H GLY 9 H GLY 9 11.920 0.425 3.772
60 HA2 GLY 9 HA3 GLY 9 13.204 -1.077 5.494
61 HA3 GLY 9 HA2 GLY 9 12.470 -2.352 4.533
62 H TYR 10 H TYR 10 13.410 -2.957 2.658
63 HA TYR 10 HA TYR 10 16.060 -2.061 2.123
64 HB2 TYR 10 HB3 TYR 10 14.196 -3.916 0.639
65 HB3 TYR 10 HB2 TYR 10 15.837 -3.577 0.101
66 HD1 TYR 10 HD1 TYR 10 13.784 -5.256 2.626
67 HD2 TYR 10 HD2 TYR 10 17.752 -4.437 1.326
68 HE1 TYR 10 HE1 TYR 10 14.628 -7.029 4.106
69 HE2 TYR 10 HE2 TYR 10 18.608 -6.208 2.802
70 HH TYR 10 HH TYR 10 17.987 -7.446 4.746
71 HN1 NH2 11 HN1 NH2 11 16.873 -1.044 0.133
72 HN2 NH2 11 HN2 NH2 11 15.826 0.017 -0.783
73 H1 ASP 1 H1 ASP 1 0.974 -7.954 0.223
74 H2 ASP 1 H2 ASP 1 0.619 -7.676 1.880
75 H3 ASP 1 H3 ASP 1 1.465 -6.491 0.970
76 HA ASP 1 HA ASP 1 -1.252 -7.393 0.320
77 HB2 ASP 1 HB3 ASP 1 -0.286 -5.171 2.124
78 HB3 ASP 1 HB2 ASP 1 -1.906 -5.209 1.438
79 H ALA 2 H ALA 2 -2.347 -5.777 -1.018
80 HA ALA 2 HA ALA 2 -0.436 -4.330 -2.736
81 HB1 ALA 2 HB1 ALA 2 -2.347 -6.270 -3.398
82 HB2 ALA 2 HB2 ALA 2 -1.386 -5.284 -4.500
83 HB3 ALA 2 HB3 ALA 2 -2.983 -4.736 -3.991
84 H GLU 3 H GLU 3 -1.809 -2.633 -4.097
85 HA GLU 3 HA GLU 3 -2.336 -0.486 -2.441
86 HB2 GLU 3 HB3 GLU 3 -1.888 -0.442 -4.924
87 HB3 GLU 3 HB2 GLU 3 -3.572 -0.882 -5.165
88 HG2 GLU 3 HG3 GLU 3 -3.613 1.405 -5.413
89 HG3 GLU 3 HG2 GLU 3 -4.075 1.203 -3.724
90 H PHE 4 H PHE 4 -4.566 -2.919 -3.685
91 HA PHE 4 HA PHE 4 -6.914 -1.594 -2.787
92 HB2 PHE 4 HB3 PHE 4 -8.055 -3.738 -3.206
93 HB3 PHE 4 HB2 PHE 4 -7.056 -3.243 -4.564
94 HD1 PHE 4 HD1 PHE 4 -7.499 -5.679 -1.881
95 HD2 PHE 4 HD2 PHE 4 -5.058 -4.476 -5.152
96 HE1 PHE 4 HE1 PHE 4 -6.394 -7.876 -1.863
97 HE2 PHE 4 HE2 PHE 4 -3.949 -6.670 -5.138
98 HZ PHE 4 HZ PHE 4 -4.617 -8.375 -3.492
99 H ARG 5 H ARG 5 -4.626 -3.757 -1.307
100 HA ARG 5 HA ARG 5 -6.271 -4.398 0.959
101 HB2 ARG 5 HB3 ARG 5 -3.332 -4.695 0.382
102 HB3 ARG 5 HB2 ARG 5 -4.022 -5.124 1.940
103 HG2 ARG 5 HG3 ARG 5 -4.752 -6.312 -0.718
104 HG3 ARG 5 HG2 ARG 5 -3.770 -7.073 0.533
105 HD2 ARG 5 HD3 ARG 5 -5.748 -6.836 2.074
106 HD3 ARG 5 HD2 ARG 5 -6.692 -6.354 0.667
107 HE ARG 5 HE ARG 5 -6.704 -8.540 -0.051
108 HH11 ARG 5 HH11 ARG 5 -4.438 -8.196 2.584
109 HH12 ARG 5 HH12 ARG 5 -4.231 -9.902 2.790
110 HH21 ARG 5 HH21 ARG 5 -6.432 -10.781 0.222
111 HH22 ARG 5 HH22 ARG 5 -5.361 -11.370 1.450
112 H HIS 6 H HIS 6 -3.629 -2.168 0.291
113 HA HIS 6 HA HIS 6 -3.450 -1.087 2.906
114 HB2 HIS 6 HB3 HIS 6 -2.712 0.302 0.328
115 HB3 HIS 6 HB2 HIS 6 -2.075 0.633 1.935
116 HD1 HIS 6 HD1 HIS 6 -0.840 -1.750 2.972
117 HD2 HIS 6 HD2 HIS 6 -1.010 -1.100 -1.127
118 HE1 HIS 6 HE1 HIS 6 0.972 -3.194 1.943
119 H HIS 7 H HIS 7 -5.239 -0.157 0.023
120 HA HIS 7 HA HIS 7 -6.417 2.122 1.409
121 HB2 HIS 7 HB3 HIS 7 -6.671 1.158 -1.445
122 HB3 HIS 7 HB2 HIS 7 -7.452 2.602 -0.807
123 HD1 HIS 7 HD1 HIS 7 -6.132 4.716 -1.042
124 HD2 HIS 7 HD2 HIS 7 -3.730 1.328 -1.219
125 HE1 HIS 7 HE1 HIS 7 -3.793 5.526 -1.568
126 H SER 8 H SER 8 -8.000 1.575 2.766
127 HA SER 8 HA SER 8 -10.456 0.563 1.763
128 HB2 SER 8 HB3 SER 8 -9.292 -1.588 1.931
129 HB3 SER 8 HB2 SER 8 -8.896 -1.256 3.617
130 HG SER 8 HG SER 8 -10.735 -2.172 4.031
131 H GLY 9 H GLY 9 -12.141 1.096 3.094
132 HA2 GLY 9 HA3 GLY 9 -12.428 1.288 5.736
133 HA3 GLY 9 HA2 GLY 9 -11.452 2.713 5.416
134 H TYR 10 H TYR 10 -13.481 3.634 6.449
135 HA TYR 10 HA TYR 10 -15.848 3.767 4.841
136 HB2 TYR 10 HB3 TYR 10 -16.644 5.370 6.507
137 HB3 TYR 10 HB2 TYR 10 -15.938 3.962 7.294
138 HD1 TYR 10 HD1 TYR 10 -13.855 4.144 8.534
139 HD2 TYR 10 HD2 TYR 10 -15.566 7.543 6.632
140 HE1 TYR 10 HE1 TYR 10 -12.371 5.610 9.835
141 HE2 TYR 10 HE2 TYR 10 -14.087 9.019 7.927
142 HH TYR 10 HH TYR 10 -11.880 8.852 9.096
143 HN1 NH2 11 HN1 NH2 11 -13.336 6.233 5.731
144 HN2 NH2 11 HN2 NH2 11 -13.621 7.240 4.329
Start of MODEL 8
1 H1 ASP 1 H1 ASP 1 -1.605 6.392 -0.919
2 H2 ASP 1 H2 ASP 1 -0.938 7.328 -2.195
3 H3 ASP 1 H3 ASP 1 -0.811 7.870 -0.571
4 HA ASP 1 HA ASP 1 1.253 7.004 -1.265
5 HB2 ASP 1 HB3 ASP 1 -0.285 5.192 0.611
6 HB3 ASP 1 HB2 ASP 1 1.471 5.228 0.480
7 H ALA 2 H ALA 2 2.524 5.133 -1.904
8 HA ALA 2 HA ALA 2 0.996 3.255 -3.590
9 HB1 ALA 2 HB1 ALA 2 2.220 3.839 -5.349
10 HB2 ALA 2 HB2 ALA 2 3.715 3.530 -4.467
11 HB3 ALA 2 HB3 ALA 2 2.947 5.115 -4.372
12 H GLU 3 H GLU 3 2.596 1.350 -4.219
13 HA GLU 3 HA GLU 3 2.884 -0.267 -1.999
14 HB2 GLU 3 HB3 GLU 3 2.975 -0.803 -4.558
15 HB3 GLU 3 HB2 GLU 3 4.710 -0.612 -4.350
16 HG2 GLU 3 HG3 GLU 3 4.283 -2.909 -4.136
17 HG3 GLU 3 HG2 GLU 3 4.546 -2.318 -2.496
18 H PHE 4 H PHE 4 5.268 1.854 -3.506
19 HA PHE 4 HA PHE 4 7.463 1.016 -1.917
20 HB2 PHE 4 HB3 PHE 4 8.579 3.036 -2.729
21 HB3 PHE 4 HB2 PHE 4 7.746 2.224 -4.051
22 HD1 PHE 4 HD1 PHE 4 7.583 5.083 -1.724
23 HD2 PHE 4 HD2 PHE 4 6.033 3.303 -5.263
24 HE1 PHE 4 HE1 PHE 4 6.405 7.176 -2.254
25 HE2 PHE 4 HE2 PHE 4 4.851 5.393 -5.801
26 HZ PHE 4 HZ PHE 4 5.035 7.333 -4.296
27 H ARG 5 H ARG 5 4.938 3.401 -1.535
28 HA ARG 5 HA ARG 5 6.103 4.676 0.747
29 HB2 ARG 5 HB3 ARG 5 4.438 5.708 -0.860
30 HB3 ARG 5 HB2 ARG 5 3.207 4.723 -0.087
31 HG2 ARG 5 HG3 ARG 5 2.968 6.216 1.527
32 HG3 ARG 5 HG2 ARG 5 4.684 6.120 1.917
33 HD2 ARG 5 HD3 ARG 5 5.226 7.924 0.602
34 HD3 ARG 5 HD2 ARG 5 3.843 7.694 -0.466
35 HE ARG 5 HE ARG 5 2.842 8.387 2.028
36 HH11 ARG 5 HH11 ARG 5 4.827 9.819 -0.460
37 HH12 ARG 5 HH12 ARG 5 4.345 11.441 -0.085
38 HH21 ARG 5 HH21 ARG 5 2.207 10.519 2.521
39 HH22 ARG 5 HH22 ARG 5 2.860 11.838 1.607
40 H HIS 6 H HIS 6 3.645 2.200 0.220
41 HA HIS 6 HA HIS 6 2.920 1.922 2.961
42 HB2 HIS 6 HB3 HIS 6 2.645 -0.094 0.723
43 HB3 HIS 6 HB2 HIS 6 1.779 -0.115 2.256
44 HD1 HIS 6 HD1 HIS 6 0.358 2.371 2.555
45 HD2 HIS 6 HD2 HIS 6 1.129 0.843 -1.228
46 HE1 HIS 6 HE1 HIS 6 -1.309 3.460 0.996
47 H HIS 7 H HIS 7 5.071 0.142 0.801
48 HA HIS 7 HA HIS 7 5.997 -1.536 2.989
49 HB2 HIS 7 HB3 HIS 7 6.728 -1.520 0.054
50 HB3 HIS 7 HB2 HIS 7 7.273 -2.711 1.232
51 HD1 HIS 7 HD1 HIS 7 5.676 -4.630 1.763
52 HD2 HIS 7 HD2 HIS 7 3.943 -1.651 -0.563
53 HE1 HIS 7 HE1 HIS 7 3.449 -5.537 0.982
54 H SER 8 H SER 8 8.226 -1.756 3.513
55 HA SER 8 HA SER 8 9.947 0.492 2.740
56 HB2 SER 8 HB3 SER 8 10.603 0.912 5.021
57 HB3 SER 8 HB2 SER 8 8.842 0.965 4.949
58 HG SER 8 HG SER 8 8.842 -0.555 6.382
59 H GLY 9 H GLY 9 12.239 0.107 3.178
60 HA2 GLY 9 HA3 GLY 9 14.133 -1.188 3.079
61 HA3 GLY 9 HA2 GLY 9 13.258 -2.372 4.037
62 H TYR 10 H TYR 10 13.809 -4.227 3.016
63 HA TYR 10 HA TYR 10 13.478 -4.380 0.110
64 HB2 TYR 10 HB3 TYR 10 14.719 -6.344 2.048
65 HB3 TYR 10 HB2 TYR 10 14.653 -6.546 0.301
66 HD1 TYR 10 HD1 TYR 10 16.240 -4.746 3.064
67 HD2 TYR 10 HD2 TYR 10 16.083 -5.232 -1.160
68 HE1 TYR 10 HE1 TYR 10 18.364 -3.525 2.851
69 HE2 TYR 10 HE2 TYR 10 18.207 -4.012 -1.385
70 HH TYR 10 HH TYR 10 19.603 -2.261 1.195
71 HN1 NH2 11 HN1 NH2 11 11.726 -5.388 -0.827
72 HN2 NH2 11 HN2 NH2 11 10.607 -6.419 0.036
73 H1 ASP 1 H1 ASP 1 1.652 -6.565 0.441
74 H2 ASP 1 H2 ASP 1 0.788 -7.984 0.012
75 H3 ASP 1 H3 ASP 1 0.883 -7.498 1.656
76 HA ASP 1 HA ASP 1 -1.241 -7.046 0.461
77 HB2 ASP 1 HB3 ASP 1 0.376 -4.895 1.841
78 HB3 ASP 1 HB2 ASP 1 -1.351 -4.750 1.520
79 H ALA 2 H ALA 2 -2.345 -5.584 -0.909
80 HA ALA 2 HA ALA 2 -0.612 -4.261 -2.896
81 HB1 ALA 2 HB1 ALA 2 -1.629 -5.438 -4.482
82 HB2 ALA 2 HB2 ALA 2 -3.185 -4.762 -3.998
83 HB3 ALA 2 HB3 ALA 2 -2.604 -6.253 -3.258
84 H GLU 3 H GLU 3 -1.904 -2.528 -4.150
85 HA GLU 3 HA GLU 3 -2.476 -0.407 -2.504
86 HB2 GLU 3 HB3 GLU 3 -2.128 -0.485 -5.062
87 HB3 GLU 3 HB2 GLU 3 -3.867 -0.727 -5.150
88 HG2 GLU 3 HG3 GLU 3 -3.533 1.571 -5.442
89 HG3 GLU 3 HG2 GLU 3 -4.095 1.386 -3.780
90 H PHE 4 H PHE 4 -4.660 -2.898 -3.669
91 HA PHE 4 HA PHE 4 -7.046 -1.642 -2.754
92 HB2 PHE 4 HB3 PHE 4 -8.113 -3.807 -3.166
93 HB3 PHE 4 HB2 PHE 4 -7.077 -3.355 -4.515
94 HD1 PHE 4 HD1 PHE 4 -7.158 -5.421 -1.432
95 HD2 PHE 4 HD2 PHE 4 -5.438 -4.814 -5.277
96 HE1 PHE 4 HE1 PHE 4 -5.993 -7.581 -1.248
97 HE2 PHE 4 HE2 PHE 4 -4.270 -6.971 -5.099
98 HZ PHE 4 HZ PHE 4 -4.547 -8.358 -3.083
99 H ARG 5 H ARG 5 -4.683 -3.782 -1.327
100 HA ARG 5 HA ARG 5 -6.264 -4.442 0.967
101 HB2 ARG 5 HB3 ARG 5 -4.379 -5.840 0.057
102 HB3 ARG 5 HB2 ARG 5 -3.265 -4.627 0.673
103 HG2 ARG 5 HG3 ARG 5 -3.217 -6.052 2.423
104 HG3 ARG 5 HG2 ARG 5 -4.612 -5.092 2.914
105 HD2 ARG 5 HD3 ARG 5 -6.038 -6.803 2.630
106 HD3 ARG 5 HD2 ARG 5 -5.258 -7.329 1.140
107 HE ARG 5 HE ARG 5 -4.762 -8.306 3.800
108 HH11 ARG 5 HH11 ARG 5 -3.455 -7.959 0.583
109 HH12 ARG 5 HH12 ARG 5 -2.353 -9.283 0.753
110 HH21 ARG 5 HH21 ARG 5 -3.311 -10.047 4.026
111 HH22 ARG 5 HH22 ARG 5 -2.270 -10.468 2.706
112 H HIS 6 H HIS 6 -3.684 -2.144 0.250
113 HA HIS 6 HA HIS 6 -3.481 -1.103 2.894
114 HB2 HIS 6 HB3 HIS 6 -2.752 0.296 0.317
115 HB3 HIS 6 HB2 HIS 6 -2.116 0.631 1.925
116 HD1 HIS 6 HD1 HIS 6 -0.694 -1.536 2.966
117 HD2 HIS 6 HD2 HIS 6 -1.227 -1.312 -1.146
118 HE1 HIS 6 HE1 HIS 6 1.062 -3.045 1.938
119 H HIS 7 H HIS 7 -5.234 -0.142 -0.006
120 HA HIS 7 HA HIS 7 -6.466 2.101 1.379
121 HB2 HIS 7 HB3 HIS 7 -6.712 1.140 -1.478
122 HB3 HIS 7 HB2 HIS 7 -7.477 2.589 -0.836
123 HD1 HIS 7 HD1 HIS 7 -6.161 4.681 -1.189
124 HD2 HIS 7 HD2 HIS 7 -3.747 1.296 -1.171
125 HE1 HIS 7 HE1 HIS 7 -3.817 5.474 -1.712
126 H SER 8 H SER 8 -8.781 2.367 1.426
127 HA SER 8 HA SER 8 -10.138 -0.181 1.882
128 HB2 SER 8 HB3 SER 8 -10.117 1.687 3.615
129 HB3 SER 8 HB2 SER 8 -11.196 2.571 2.536
130 HG SER 8 HG SER 8 -12.752 1.066 2.841
131 H GLY 9 H GLY 9 -11.494 -0.993 0.435
132 HA2 GLY 9 HA3 GLY 9 -13.349 0.629 -1.016
133 HA3 GLY 9 HA2 GLY 9 -12.043 0.059 -2.046
134 H TYR 10 H TYR 10 -14.994 -0.723 -0.511
135 HA TYR 10 HA TYR 10 -14.749 -3.577 -0.767
136 HB2 TYR 10 HB3 TYR 10 -17.118 -3.619 -0.116
137 HB3 TYR 10 HB2 TYR 10 -16.178 -2.597 0.967
138 HD1 TYR 10 HD1 TYR 10 -16.493 -0.186 0.986
139 HD2 TYR 10 HD2 TYR 10 -18.762 -2.660 -1.627
140 HE1 TYR 10 HE1 TYR 10 -18.046 1.677 0.582
141 HE2 TYR 10 HE2 TYR 10 -20.321 -0.805 -2.039
142 HH TYR 10 HH TYR 10 -19.859 2.087 -1.750
143 HN1 NH2 11 HN1 NH2 11 -16.116 -0.923 -2.728
144 HN2 NH2 11 HN2 NH2 11 -16.562 -1.929 -4.088
Start of MODEL 9
1 H1 ASP 1 H1 ASP 1 -1.464 6.661 -0.811
2 H2 ASP 1 H2 ASP 1 -0.775 7.316 -2.240
3 H3 ASP 1 H3 ASP 1 -0.489 8.070 -0.725
4 HA ASP 1 HA ASP 1 1.432 6.936 -1.163
5 HB2 ASP 1 HB3 ASP 1 -0.357 5.196 0.556
6 HB3 ASP 1 HB2 ASP 1 1.405 5.141 0.551
7 H ALA 2 H ALA 2 2.581 5.097 -1.927
8 HA ALA 2 HA ALA 2 0.972 3.298 -3.625
9 HB1 ALA 2 HB1 ALA 2 3.729 4.386 -4.173
10 HB2 ALA 2 HB2 ALA 2 2.238 4.883 -4.972
11 HB3 ALA 2 HB3 ALA 2 2.853 3.245 -5.190
12 H GLU 3 H GLU 3 2.600 1.414 -4.352
13 HA GLU 3 HA GLU 3 2.855 -0.287 -2.181
14 HB2 GLU 3 HB3 GLU 3 2.873 -0.796 -4.717
15 HB3 GLU 3 HB2 GLU 3 4.609 -0.550 -4.607
16 HG2 GLU 3 HG3 GLU 3 4.258 -2.866 -4.420
17 HG3 GLU 3 HG2 GLU 3 4.625 -2.295 -2.793
18 H PHE 4 H PHE 4 5.128 2.050 -3.445
19 HA PHE 4 HA PHE 4 7.348 1.022 -1.936
20 HB2 PHE 4 HB3 PHE 4 8.594 2.894 -2.768
21 HB3 PHE 4 HB2 PHE 4 7.605 2.284 -4.087
22 HD1 PHE 4 HD1 PHE 4 7.893 4.969 -1.569
23 HD2 PHE 4 HD2 PHE 4 6.016 3.658 -5.156
24 HE1 PHE 4 HE1 PHE 4 6.981 7.227 -1.913
25 HE2 PHE 4 HE2 PHE 4 5.102 5.915 -5.507
26 HZ PHE 4 HZ PHE 4 5.585 7.704 -3.884
27 H ARG 5 H ARG 5 4.790 3.307 -1.416
28 HA ARG 5 HA ARG 5 6.054 4.545 0.866
29 HB2 ARG 5 HB3 ARG 5 4.513 5.806 -0.592
30 HB3 ARG 5 HB2 ARG 5 3.203 4.732 -0.117
31 HG2 ARG 5 HG3 ARG 5 2.819 5.871 1.748
32 HG3 ARG 5 HG2 ARG 5 4.529 5.883 2.182
33 HD2 ARG 5 HD3 ARG 5 3.647 7.663 -0.021
34 HD3 ARG 5 HD2 ARG 5 3.190 8.110 1.621
35 HE ARG 5 HE ARG 5 5.653 7.924 2.121
36 HH11 ARG 5 HH11 ARG 5 4.486 8.764 -1.070
37 HH12 ARG 5 HH12 ARG 5 5.931 9.611 -1.502
38 HH21 ARG 5 HH21 ARG 5 7.542 9.039 1.542
39 HH22 ARG 5 HH22 ARG 5 7.663 9.768 -0.025
40 H HIS 6 H HIS 6 3.527 2.150 0.282
41 HA HIS 6 HA HIS 6 2.743 1.869 2.998
42 HB2 HIS 6 HB3 HIS 6 2.506 -0.155 0.764
43 HB3 HIS 6 HB2 HIS 6 1.599 -0.157 2.273
44 HD1 HIS 6 HD1 HIS 6 0.169 2.301 2.541
45 HD2 HIS 6 HD2 HIS 6 1.100 0.857 -1.240
46 HE1 HIS 6 HE1 HIS 6 -1.420 3.442 0.937
47 H HIS 7 H HIS 7 5.067 0.214 0.947
48 HA HIS 7 HA HIS 7 5.875 -1.512 3.158
49 HB2 HIS 7 HB3 HIS 7 6.760 -1.456 0.266
50 HB3 HIS 7 HB2 HIS 7 7.261 -2.650 1.460
51 HD1 HIS 7 HD1 HIS 7 5.727 -4.642 1.791
52 HD2 HIS 7 HD2 HIS 7 3.954 -1.587 -0.404
53 HE1 HIS 7 HE1 HIS 7 3.547 -5.569 0.904
54 H SER 8 H SER 8 7.429 -0.873 4.484
55 HA SER 8 HA SER 8 9.443 1.030 3.490
56 HB2 SER 8 HB3 SER 8 8.420 0.576 6.302
57 HB3 SER 8 HB2 SER 8 9.750 1.658 5.889
58 HG SER 8 HG SER 8 7.739 2.756 6.044
59 H GLY 9 H GLY 9 11.622 0.718 4.009
60 HA2 GLY 9 HA3 GLY 9 13.277 -0.573 5.309
61 HA3 GLY 9 HA2 GLY 9 12.275 -1.986 5.010
62 H TYR 10 H TYR 10 13.173 0.543 2.709
63 HA TYR 10 HA TYR 10 14.244 0.462 0.705
64 HB2 TYR 10 HB3 TYR 10 15.819 -1.681 2.145
65 HB3 TYR 10 HB2 TYR 10 16.272 -1.000 0.586
66 HD1 TYR 10 HD1 TYR 10 15.310 0.229 3.988
67 HD2 TYR 10 HD2 TYR 10 17.873 0.654 0.618
68 HE1 TYR 10 HE1 TYR 10 16.511 2.042 5.136
69 HE2 TYR 10 HE2 TYR 10 19.082 2.466 1.758
70 HH TYR 10 HH TYR 10 18.469 4.186 3.644
71 HN1 NH2 11 HN1 NH2 11 14.645 -3.051 1.374
72 HN2 NH2 11 HN2 NH2 11 13.614 -3.580 0.063
73 H1 ASP 1 H1 ASP 1 1.269 -7.686 -0.169
74 H2 ASP 1 H2 ASP 1 0.821 -7.839 1.481
75 H3 ASP 1 H3 ASP 1 1.601 -6.413 0.929
76 HA ASP 1 HA ASP 1 -1.076 -7.371 0.172
77 HB2 ASP 1 HB3 ASP 1 -0.013 -5.255 2.024
78 HB3 ASP 1 HB2 ASP 1 -1.612 -5.097 1.307
79 H ALA 2 H ALA 2 -2.274 -5.770 -1.085
80 HA ALA 2 HA ALA 2 -0.501 -4.283 -2.908
81 HB1 ALA 2 HB1 ALA 2 -3.127 -4.712 -3.991
82 HB2 ALA 2 HB2 ALA 2 -2.426 -6.242 -3.460
83 HB3 ALA 2 HB3 ALA 2 -1.560 -5.228 -4.615
84 H GLU 3 H GLU 3 -1.934 -2.564 -4.149
85 HA GLU 3 HA GLU 3 -2.389 -0.450 -2.435
86 HB2 GLU 3 HB3 GLU 3 -2.107 -0.430 -4.974
87 HB3 GLU 3 HB2 GLU 3 -3.829 -0.767 -5.062
88 HG2 GLU 3 HG3 GLU 3 -3.711 1.534 -5.293
89 HG3 GLU 3 HG2 GLU 3 -4.110 1.315 -3.591
90 H PHE 4 H PHE 4 -4.669 -2.878 -3.587
91 HA PHE 4 HA PHE 4 -6.981 -1.590 -2.548
92 HB2 PHE 4 HB3 PHE 4 -8.149 -3.660 -3.004
93 HB3 PHE 4 HB2 PHE 4 -7.072 -3.295 -4.346
94 HD1 PHE 4 HD1 PHE 4 -7.737 -5.537 -1.543
95 HD2 PHE 4 HD2 PHE 4 -5.137 -4.667 -4.795
96 HE1 PHE 4 HE1 PHE 4 -6.745 -7.780 -1.344
97 HE2 PHE 4 HE2 PHE 4 -4.138 -6.907 -4.602
98 HZ PHE 4 HZ PHE 4 -4.944 -8.468 -2.875
99 H ARG 5 H ARG 5 -4.583 -3.744 -1.224
100 HA ARG 5 HA ARG 5 -6.074 -4.459 1.115
101 HB2 ARG 5 HB3 ARG 5 -3.122 -4.562 0.495
102 HB3 ARG 5 HB2 ARG 5 -3.823 -5.175 1.984
103 HG2 ARG 5 HG3 ARG 5 -4.551 -6.151 -0.763
104 HG3 ARG 5 HG2 ARG 5 -3.353 -6.911 0.282
105 HD2 ARG 5 HD3 ARG 5 -5.156 -7.133 2.018
106 HD3 ARG 5 HD2 ARG 5 -6.308 -6.611 0.788
107 HE ARG 5 HE ARG 5 -4.814 -8.763 -0.217
108 HH11 ARG 5 HH11 ARG 5 -7.243 -8.099 2.198
109 HH12 ARG 5 HH12 ARG 5 -7.923 -9.691 2.131
110 HH21 ARG 5 HH21 ARG 5 -5.705 -10.857 -0.305
111 HH22 ARG 5 HH22 ARG 5 -7.050 -11.256 0.711
112 H HIS 6 H HIS 6 -3.566 -2.109 0.342
113 HA HIS 6 HA HIS 6 -3.382 -1.012 2.965
114 HB2 HIS 6 HB3 HIS 6 -2.638 0.370 0.390
115 HB3 HIS 6 HB2 HIS 6 -1.967 0.651 1.992
116 HD1 HIS 6 HD1 HIS 6 -0.737 -1.744 2.958
117 HD2 HIS 6 HD2 HIS 6 -1.034 -1.091 -1.133
118 HE1 HIS 6 HE1 HIS 6 1.001 -3.232 1.869
119 H HIS 7 H HIS 7 -5.143 -0.131 0.043
120 HA HIS 7 HA HIS 7 -6.339 2.173 1.355
121 HB2 HIS 7 HB3 HIS 7 -6.608 1.082 -1.451
122 HB3 HIS 7 HB2 HIS 7 -7.431 2.524 -0.870
123 HD1 HIS 7 HD1 HIS 7 -6.201 4.659 -1.287
124 HD2 HIS 7 HD2 HIS 7 -3.661 1.371 -1.203
125 HE1 HIS 7 HE1 HIS 7 -3.899 5.522 -1.875
126 H SER 8 H SER 8 -8.457 2.357 1.932
127 HA SER 8 HA SER 8 -9.999 -0.143 1.964
128 HB2 SER 8 HB3 SER 8 -9.554 0.799 4.172
129 HB3 SER 8 HB2 SER 8 -10.261 2.339 3.680
130 HG SER 8 HG SER 8 -12.257 1.312 3.482
131 H GLY 9 H GLY 9 -11.630 -0.328 0.585
132 HA2 GLY 9 HA3 GLY 9 -13.013 2.138 -0.277
133 HA3 GLY 9 HA2 GLY 9 -12.627 0.841 -1.398
134 H TYR 10 H TYR 10 -13.590 -0.094 1.769
135 HA TYR 10 HA TYR 10 -15.991 -1.301 0.694
136 HB2 TYR 10 HB3 TYR 10 -14.822 -1.381 3.485
137 HB3 TYR 10 HB2 TYR 10 -16.188 -2.340 2.928
138 HD1 TYR 10 HD1 TYR 10 -12.568 -1.969 2.908
139 HD2 TYR 10 HD2 TYR 10 -15.843 -4.166 1.312
140 HE1 TYR 10 HE1 TYR 10 -11.016 -3.723 2.153
141 HE2 TYR 10 HE2 TYR 10 -14.302 -5.925 0.552
142 HH TYR 10 HH TYR 10 -11.555 -6.541 1.595
143 HN1 NH2 11 HN1 NH2 11 -15.492 0.547 3.778
144 HN2 NH2 11 HN2 NH2 11 -16.987 1.446 3.649
Start of MODEL 10
1 H1 ASP 1 H1 ASP 1 -0.872 7.735 -0.406
2 H2 ASP 1 H2 ASP 1 -1.590 6.391 -1.196
3 H3 ASP 1 H3 ASP 1 -0.799 7.606 -2.114
4 HA ASP 1 HA ASP 1 1.278 7.007 -1.335
5 HB2 ASP 1 HB3 ASP 1 -0.292 5.330 0.628
6 HB3 ASP 1 HB2 ASP 1 1.441 5.137 0.381
7 H ALA 2 H ALA 2 2.493 5.067 -1.931
8 HA ALA 2 HA ALA 2 0.900 3.198 -3.564
9 HB1 ALA 2 HB1 ALA 2 2.458 5.027 -4.684
10 HB2 ALA 2 HB2 ALA 2 2.297 3.401 -5.351
11 HB3 ALA 2 HB3 ALA 2 3.693 3.811 -4.354
12 H GLU 3 H GLU 3 2.508 1.300 -4.233
13 HA GLU 3 HA GLU 3 2.876 -0.279 -1.992
14 HB2 GLU 3 HB3 GLU 3 2.812 -0.931 -4.485
15 HB3 GLU 3 HB2 GLU 3 4.544 -0.624 -4.471
16 HG2 GLU 3 HG3 GLU 3 4.448 -2.888 -4.091
17 HG3 GLU 3 HG2 GLU 3 4.563 -2.246 -2.453
18 H PHE 4 H PHE 4 5.155 1.881 -3.584
19 HA PHE 4 HA PHE 4 7.432 1.023 -2.115
20 HB2 PHE 4 HB3 PHE 4 8.540 2.988 -3.008
21 HB3 PHE 4 HB2 PHE 4 7.592 2.221 -4.275
22 HD1 PHE 4 HD1 PHE 4 7.561 5.014 -1.838
23 HD2 PHE 4 HD2 PHE 4 5.983 3.426 -5.456
24 HE1 PHE 4 HE1 PHE 4 6.441 7.158 -2.286
25 HE2 PHE 4 HE2 PHE 4 4.859 5.567 -5.912
26 HZ PHE 4 HZ PHE 4 5.089 7.437 -4.325
27 H ARG 5 H ARG 5 4.889 3.333 -1.524
28 HA ARG 5 HA ARG 5 6.262 4.550 0.706
29 HB2 ARG 5 HB3 ARG 5 4.672 5.781 -0.812
30 HB3 ARG 5 HB2 ARG 5 3.365 4.860 -0.078
31 HG2 ARG 5 HG3 ARG 5 3.327 6.835 1.109
32 HG3 ARG 5 HG2 ARG 5 4.282 5.780 2.153
33 HD2 ARG 5 HD3 ARG 5 5.738 7.496 2.155
34 HD3 ARG 5 HD2 ARG 5 6.219 6.847 0.588
35 HE ARG 5 HE ARG 5 5.193 8.633 -0.452
36 HH11 ARG 5 HH11 ARG 5 4.430 8.652 2.957
37 HH12 ARG 5 HH12 ARG 5 3.767 10.250 2.924
38 HH21 ARG 5 HH21 ARG 5 4.317 10.732 -0.491
39 HH22 ARG 5 HH22 ARG 5 3.701 11.430 0.968
40 H HIS 6 H HIS 6 3.672 2.208 0.200
41 HA HIS 6 HA HIS 6 2.905 2.008 2.931
42 HB2 HIS 6 HB3 HIS 6 2.608 -0.054 0.736
43 HB3 HIS 6 HB2 HIS 6 1.737 -0.036 2.264
44 HD1 HIS 6 HD1 HIS 6 0.411 2.532 2.509
45 HD2 HIS 6 HD2 HIS 6 1.066 0.831 -1.221
46 HE1 HIS 6 HE1 HIS 6 -1.250 3.611 0.937
47 H HIS 7 H HIS 7 5.059 0.121 0.870
48 HA HIS 7 HA HIS 7 5.871 -1.558 3.089
49 HB2 HIS 7 HB3 HIS 7 6.790 -1.497 0.208
50 HB3 HIS 7 HB2 HIS 7 7.255 -2.709 1.398
51 HD1 HIS 7 HD1 HIS 7 5.705 -4.689 1.658
52 HD2 HIS 7 HD2 HIS 7 3.963 -1.555 -0.447
53 HE1 HIS 7 HE1 HIS 7 3.510 -5.564 0.756
54 H SER 8 H SER 8 7.832 -1.538 4.088
55 HA SER 8 HA SER 8 9.639 0.687 3.398
56 HB2 SER 8 HB3 SER 8 8.580 1.188 5.501
57 HB3 SER 8 HB2 SER 8 8.920 -0.429 6.116
58 HG SER 8 HG SER 8 11.022 0.077 6.337
59 H GLY 9 H GLY 9 11.700 0.193 2.979
60 HA2 GLY 9 HA3 GLY 9 13.696 -0.970 2.965
61 HA3 GLY 9 HA2 GLY 9 13.020 -2.064 4.161
62 H TYR 10 H TYR 10 14.585 -3.140 2.267
63 HA TYR 10 HA TYR 10 12.723 -4.855 0.861
64 HB2 TYR 10 HB3 TYR 10 14.233 -4.547 -1.265
65 HB3 TYR 10 HB2 TYR 10 12.908 -3.433 -0.953
66 HD1 TYR 10 HD1 TYR 10 16.332 -3.580 0.524
67 HD2 TYR 10 HD2 TYR 10 13.556 -1.391 -1.842
68 HE1 TYR 10 HE1 TYR 10 17.907 -1.693 0.434
69 HE2 TYR 10 HE2 TYR 10 15.123 0.503 -1.939
70 HH TYR 10 HH TYR 10 17.000 1.402 -0.793
71 HN1 NH2 11 HN1 NH2 11 14.397 -6.380 -0.705
72 HN2 NH2 11 HN2 NH2 11 15.663 -7.082 0.276
73 H1 ASP 1 H1 ASP 1 1.339 -6.508 1.408
74 H2 ASP 1 H2 ASP 1 1.269 -7.475 -0.009
75 H3 ASP 1 H3 ASP 1 0.588 -8.047 1.459
76 HA ASP 1 HA ASP 1 -1.217 -7.376 0.283
77 HB2 ASP 1 HB3 ASP 1 -0.237 -5.144 2.069
78 HB3 ASP 1 HB2 ASP 1 -1.865 -5.192 1.406
79 H ALA 2 H ALA 2 -2.350 -5.708 -0.996
80 HA ALA 2 HA ALA 2 -0.470 -4.248 -2.740
81 HB1 ALA 2 HB1 ALA 2 -1.924 -6.286 -3.587
82 HB2 ALA 2 HB2 ALA 2 -1.625 -4.875 -4.604
83 HB3 ALA 2 HB3 ALA 2 -3.154 -5.032 -3.739
84 H GLU 3 H GLU 3 -1.899 -2.594 -4.110
85 HA GLU 3 HA GLU 3 -2.460 -0.447 -2.480
86 HB2 GLU 3 HB3 GLU 3 -2.112 -0.526 -5.020
87 HB3 GLU 3 HB2 GLU 3 -3.839 -0.848 -5.124
88 HG2 GLU 3 HG3 GLU 3 -3.640 1.452 -5.438
89 HG3 GLU 3 HG2 GLU 3 -4.157 1.273 -3.761
90 H PHE 4 H PHE 4 -4.688 -2.924 -3.659
91 HA PHE 4 HA PHE 4 -7.028 -1.632 -2.689
92 HB2 PHE 4 HB3 PHE 4 -8.194 -3.679 -3.189
93 HB3 PHE 4 HB2 PHE 4 -7.042 -3.364 -4.482
94 HD1 PHE 4 HD1 PHE 4 -7.897 -5.538 -1.674
95 HD2 PHE 4 HD2 PHE 4 -5.119 -4.786 -4.807
96 HE1 PHE 4 HE1 PHE 4 -6.968 -7.799 -1.389
97 HE2 PHE 4 HE2 PHE 4 -4.184 -7.044 -4.527
98 HZ PHE 4 HZ PHE 4 -5.109 -8.555 -2.817
99 H ARG 5 H ARG 5 -4.659 -3.749 -1.284
100 HA ARG 5 HA ARG 5 -6.212 -4.429 1.033
101 HB2 ARG 5 HB3 ARG 5 -3.270 -4.637 0.405
102 HB3 ARG 5 HB2 ARG 5 -3.967 -5.181 1.925
103 HG2 ARG 5 HG3 ARG 5 -4.728 -6.215 -0.789
104 HG3 ARG 5 HG2 ARG 5 -3.598 -6.997 0.312
105 HD2 ARG 5 HD3 ARG 5 -6.456 -6.365 1.025
106 HD3 ARG 5 HD2 ARG 5 -5.939 -7.912 0.361
107 HE ARG 5 HE ARG 5 -5.446 -6.901 3.035
108 HH11 ARG 5 HH11 ARG 5 -4.669 -9.309 0.627
109 HH12 ARG 5 HH12 ARG 5 -4.030 -10.431 1.779
110 HH21 ARG 5 HH21 ARG 5 -4.599 -8.376 4.546
111 HH22 ARG 5 HH22 ARG 5 -3.989 -9.903 4.002
112 H HIS 6 H HIS 6 -3.637 -2.147 0.268
113 HA HIS 6 HA HIS 6 -3.400 -1.061 2.880
114 HB2 HIS 6 HB3 HIS 6 -2.721 0.329 0.288
115 HB3 HIS 6 HB2 HIS 6 -2.034 0.639 1.878
116 HD1 HIS 6 HD1 HIS 6 -0.822 -1.802 2.848
117 HD2 HIS 6 HD2 HIS 6 -1.039 -1.037 -1.229
118 HE1 HIS 6 HE1 HIS 6 0.956 -3.241 1.756
119 H HIS 7 H HIS 7 -5.250 -0.166 0.024
120 HA HIS 7 HA HIS 7 -6.445 2.094 1.439
121 HB2 HIS 7 HB3 HIS 7 -6.701 1.173 -1.432
122 HB3 HIS 7 HB2 HIS 7 -7.482 2.603 -0.766
123 HD1 HIS 7 HD1 HIS 7 -6.169 4.727 -0.976
124 HD2 HIS 7 HD2 HIS 7 -3.761 1.351 -1.244
125 HE1 HIS 7 HE1 HIS 7 -3.843 5.553 -1.526
126 H SER 8 H SER 8 -8.378 1.990 2.373
127 HA SER 8 HA SER 8 -9.885 -0.462 2.288
128 HB2 SER 8 HB3 SER 8 -9.554 0.954 4.360
129 HB3 SER 8 HB2 SER 8 -10.672 2.119 3.650
130 HG SER 8 HG SER 8 -12.250 0.470 3.621
131 H GLY 9 H GLY 9 -11.857 -0.827 1.366
132 HA2 GLY 9 HA3 GLY 9 -12.602 0.925 -0.801
133 HA3 GLY 9 HA2 GLY 9 -13.350 -0.613 -0.397
134 H TYR 10 H TYR 10 -15.231 0.873 -1.050
135 HA TYR 10 HA TYR 10 -16.115 2.849 0.787
136 HB2 TYR 10 HB3 TYR 10 -17.685 1.262 -1.257
137 HB3 TYR 10 HB2 TYR 10 -18.265 2.699 -0.422
138 HD1 TYR 10 HD1 TYR 10 -16.026 1.429 -3.024
139 HD2 TYR 10 HD2 TYR 10 -17.415 4.905 -1.000
140 HE1 TYR 10 HE1 TYR 10 -15.049 2.838 -4.786
141 HE2 TYR 10 HE2 TYR 10 -16.442 6.323 -2.756
142 HH TYR 10 HH TYR 10 -14.322 5.848 -4.544
143 HN1 NH2 11 HN1 NH2 11 -18.829 2.212 1.312
144 HN2 NH2 11 HN2 NH2 11 -18.873 0.899 2.467
Start of MODEL 11
1 H1 ASP 1 H1 ASP 1 -0.638 7.410 -2.028
2 H2 ASP 1 H2 ASP 1 -0.317 8.114 -0.496
3 H3 ASP 1 H3 ASP 1 -1.383 6.775 -0.620
4 HA ASP 1 HA ASP 1 1.528 6.863 -0.929
5 HB2 ASP 1 HB3 ASP 1 -0.388 5.175 0.699
6 HB3 ASP 1 HB2 ASP 1 1.370 5.046 0.737
7 H ALA 2 H ALA 2 2.579 5.075 -1.836
8 HA ALA 2 HA ALA 2 0.878 3.344 -3.514
9 HB1 ALA 2 HB1 ALA 2 3.557 3.575 -4.531
10 HB2 ALA 2 HB2 ALA 2 2.829 5.171 -4.342
11 HB3 ALA 2 HB3 ALA 2 2.024 3.944 -5.320
12 H GLU 3 H GLU 3 2.336 1.402 -4.316
13 HA GLU 3 HA GLU 3 2.715 -0.314 -2.189
14 HB2 GLU 3 HB3 GLU 3 2.520 -0.912 -4.635
15 HB3 GLU 3 HB2 GLU 3 4.222 -0.503 -4.797
16 HG2 GLU 3 HG3 GLU 3 4.219 -2.808 -4.539
17 HG3 GLU 3 HG2 GLU 3 4.616 -2.203 -2.931
18 H PHE 4 H PHE 4 4.912 2.044 -3.503
19 HA PHE 4 HA PHE 4 7.211 0.954 -2.132
20 HB2 PHE 4 HB3 PHE 4 8.413 2.886 -3.005
21 HB3 PHE 4 HB2 PHE 4 7.470 2.133 -4.286
22 HD1 PHE 4 HD1 PHE 4 7.634 5.007 -1.986
23 HD2 PHE 4 HD2 PHE 4 5.761 3.316 -5.411
24 HE1 PHE 4 HE1 PHE 4 6.584 7.177 -2.476
25 HE2 PHE 4 HE2 PHE 4 4.707 5.482 -5.910
26 HZ PHE 4 HZ PHE 4 5.117 7.417 -4.441
27 H ARG 5 H ARG 5 4.705 3.265 -1.507
28 HA ARG 5 HA ARG 5 6.108 4.554 0.661
29 HB2 ARG 5 HB3 ARG 5 4.409 5.699 -0.795
30 HB3 ARG 5 HB2 ARG 5 3.174 4.717 -0.019
31 HG2 ARG 5 HG3 ARG 5 2.990 6.298 1.516
32 HG3 ARG 5 HG2 ARG 5 4.599 5.853 2.081
33 HD2 ARG 5 HD3 ARG 5 4.756 7.548 -0.248
34 HD3 ARG 5 HD2 ARG 5 3.792 8.307 1.016
35 HE ARG 5 HE ARG 5 5.981 7.438 2.345
36 HH11 ARG 5 HH11 ARG 5 5.537 9.377 -0.522
37 HH12 ARG 5 HH12 ARG 5 6.988 10.293 -0.279
38 HH21 ARG 5 HH21 ARG 5 7.889 8.642 2.666
39 HH22 ARG 5 HH22 ARG 5 8.322 9.875 1.530
40 H HIS 6 H HIS 6 3.551 2.148 0.293
41 HA HIS 6 HA HIS 6 2.938 1.926 3.055
42 HB2 HIS 6 HB3 HIS 6 2.588 -0.189 0.923
43 HB3 HIS 6 HB2 HIS 6 1.725 -0.080 2.454
44 HD1 HIS 6 HD1 HIS 6 0.260 2.321 2.628
45 HD2 HIS 6 HD2 HIS 6 1.228 0.819 -1.122
46 HE1 HIS 6 HE1 HIS 6 -1.333 3.415 0.995
47 H HIS 7 H HIS 7 5.136 0.222 0.902
48 HA HIS 7 HA HIS 7 6.109 -1.414 3.122
49 HB2 HIS 7 HB3 HIS 7 6.791 -1.516 0.177
50 HB3 HIS 7 HB2 HIS 7 7.326 -2.668 1.397
51 HD1 HIS 7 HD1 HIS 7 5.720 -4.559 1.983
52 HD2 HIS 7 HD2 HIS 7 3.992 -1.633 -0.411
53 HE1 HIS 7 HE1 HIS 7 3.490 -5.480 1.225
54 H SER 8 H SER 8 7.662 -0.541 4.325
55 HA SER 8 HA SER 8 9.638 1.211 3.031
56 HB2 SER 8 HB3 SER 8 8.550 1.084 5.828
57 HB3 SER 8 HB2 SER 8 10.119 1.827 5.517
58 HG SER 8 HG SER 8 7.651 2.820 5.089
59 H GLY 9 H GLY 9 9.560 -1.826 3.273
60 HA2 GLY 9 HA3 GLY 9 11.822 -2.416 4.982
61 HA3 GLY 9 HA2 GLY 9 10.950 -3.558 3.971
62 H TYR 10 H TYR 10 13.079 -4.380 3.424
63 HA TYR 10 HA TYR 10 15.104 -2.938 2.191
64 HB2 TYR 10 HB3 TYR 10 14.249 -5.800 2.118
65 HB3 TYR 10 HB2 TYR 10 15.476 -5.257 0.979
66 HD1 TYR 10 HD1 TYR 10 14.683 -5.239 4.624
67 HD2 TYR 10 HD2 TYR 10 17.705 -5.221 1.629
68 HE1 TYR 10 HE1 TYR 10 16.402 -5.489 6.365
69 HE2 TYR 10 HE2 TYR 10 19.431 -5.471 3.361
70 HH TYR 10 HH TYR 10 19.754 -5.108 5.708
71 HN1 NH2 11 HN1 NH2 11 12.008 -4.030 0.871
72 HN2 NH2 11 HN2 NH2 11 12.277 -3.431 -0.751
73 H1 ASP 1 H1 ASP 1 0.334 -8.088 1.653
74 H2 ASP 1 H2 ASP 1 1.180 -6.597 1.584
75 H3 ASP 1 H3 ASP 1 1.062 -7.584 0.185
76 HA ASP 1 HA ASP 1 -1.405 -7.321 0.418
77 HB2 ASP 1 HB3 ASP 1 -0.330 -5.226 2.301
78 HB3 ASP 1 HB2 ASP 1 -1.910 -5.068 1.542
79 H ALA 2 H ALA 2 -2.374 -5.798 -1.021
80 HA ALA 2 HA ALA 2 -0.400 -4.332 -2.644
81 HB1 ALA 2 HB1 ALA 2 -1.304 -5.241 -4.458
82 HB2 ALA 2 HB2 ALA 2 -2.927 -4.754 -3.965
83 HB3 ALA 2 HB3 ALA 2 -2.251 -6.278 -3.391
84 H GLU 3 H GLU 3 -1.800 -2.669 -4.089
85 HA GLU 3 HA GLU 3 -2.337 -0.492 -2.463
86 HB2 GLU 3 HB3 GLU 3 -1.857 -0.469 -4.937
87 HB3 GLU 3 HB2 GLU 3 -3.535 -0.927 -5.198
88 HG2 GLU 3 HG3 GLU 3 -3.565 1.365 -5.476
89 HG3 GLU 3 HG2 GLU 3 -4.094 1.162 -3.807
90 H PHE 4 H PHE 4 -4.546 -2.936 -3.720
91 HA PHE 4 HA PHE 4 -6.914 -1.621 -2.853
92 HB2 PHE 4 HB3 PHE 4 -8.048 -3.729 -3.315
93 HB3 PHE 4 HB2 PHE 4 -6.941 -3.334 -4.624
94 HD1 PHE 4 HD1 PHE 4 -7.671 -5.626 -1.888
95 HD2 PHE 4 HD2 PHE 4 -4.923 -4.633 -4.982
96 HE1 PHE 4 HE1 PHE 4 -6.630 -7.844 -1.668
97 HE2 PHE 4 HE2 PHE 4 -3.875 -6.849 -4.769
98 HZ PHE 4 HZ PHE 4 -4.729 -8.458 -3.110
99 H ARG 5 H ARG 5 -4.613 -3.763 -1.358
100 HA ARG 5 HA ARG 5 -6.243 -4.425 0.907
101 HB2 ARG 5 HB3 ARG 5 -3.274 -4.615 0.406
102 HB3 ARG 5 HB2 ARG 5 -4.039 -5.169 1.890
103 HG2 ARG 5 HG3 ARG 5 -4.554 -6.207 -0.882
104 HG3 ARG 5 HG2 ARG 5 -3.630 -7.013 0.383
105 HD2 ARG 5 HD3 ARG 5 -5.940 -6.573 1.694
106 HD3 ARG 5 HD2 ARG 5 -6.549 -6.739 0.046
107 HE ARG 5 HE ARG 5 -4.931 -8.873 0.288
108 HH11 ARG 5 HH11 ARG 5 -7.497 -7.632 2.303
109 HH12 ARG 5 HH12 ARG 5 -7.937 -9.191 2.916
110 HH21 ARG 5 HH21 ARG 5 -5.508 -10.922 1.096
111 HH22 ARG 5 HH22 ARG 5 -6.808 -11.058 2.233
112 H HIS 6 H HIS 6 -3.652 -2.130 0.230
113 HA HIS 6 HA HIS 6 -3.497 -1.034 2.839
114 HB2 HIS 6 HB3 HIS 6 -2.788 0.332 0.239
115 HB3 HIS 6 HB2 HIS 6 -2.176 0.728 1.840
116 HD1 HIS 6 HD1 HIS 6 -0.928 -1.654 2.941
117 HD2 HIS 6 HD2 HIS 6 -0.968 -0.982 -1.157
118 HE1 HIS 6 HE1 HIS 6 0.961 -3.040 1.971
119 H HIS 7 H HIS 7 -5.307 -0.172 -0.050
120 HA HIS 7 HA HIS 7 -6.618 2.017 1.394
121 HB2 HIS 7 HB3 HIS 7 -6.703 1.275 -1.539
122 HB3 HIS 7 HB2 HIS 7 -7.474 2.686 -0.821
123 HD1 HIS 7 HD1 HIS 7 -6.081 4.775 -0.770
124 HD2 HIS 7 HD2 HIS 7 -3.783 1.348 -1.275
125 HE1 HIS 7 HE1 HIS 7 -3.712 5.559 -1.179
126 H SER 8 H SER 8 -8.483 1.621 2.363
127 HA SER 8 HA SER 8 -10.562 0.119 1.058
128 HB2 SER 8 HB3 SER 8 -9.294 -1.715 2.073
129 HB3 SER 8 HB2 SER 8 -9.377 -0.920 3.645
130 HG SER 8 HG SER 8 -11.640 -1.740 2.142
131 H GLY 9 H GLY 9 -12.615 0.400 2.030
132 HA2 GLY 9 HA3 GLY 9 -13.009 1.725 4.500
133 HA3 GLY 9 HA2 GLY 9 -13.079 2.890 3.186
134 H TYR 10 H TYR 10 -15.269 2.540 4.758
135 HA TYR 10 HA TYR 10 -17.120 1.135 2.949
136 HB2 TYR 10 HB3 TYR 10 -18.529 0.644 4.950
137 HB3 TYR 10 HB2 TYR 10 -16.970 -0.175 4.969
138 HD1 TYR 10 HD1 TYR 10 -15.157 0.674 6.458
139 HD2 TYR 10 HD2 TYR 10 -19.126 2.194 6.651
140 HE1 TYR 10 HE1 TYR 10 -14.683 1.614 8.681
141 HE2 TYR 10 HE2 TYR 10 -18.662 3.140 8.873
142 HH TYR 10 HH TYR 10 -16.063 3.862 10.059
143 HN1 NH2 11 HN1 NH2 11 -16.783 3.779 5.385
144 HN2 NH2 11 HN2 NH2 11 -18.050 4.775 4.704
Start of MODEL 12
1 H1 ASP 1 H1 ASP 1 -1.589 6.341 -1.101
2 H2 ASP 1 H2 ASP 1 -0.772 7.644 -1.863
3 H3 ASP 1 H3 ASP 1 -0.930 7.610 -0.154
4 HA ASP 1 HA ASP 1 1.273 6.984 -1.092
5 HB2 ASP 1 HB3 ASP 1 -0.328 5.200 0.749
6 HB3 ASP 1 HB2 ASP 1 1.413 5.035 0.535
7 H ALA 2 H ALA 2 2.523 5.170 -1.856
8 HA ALA 2 HA ALA 2 0.970 3.357 -3.590
9 HB1 ALA 2 HB1 ALA 2 3.699 3.669 -4.456
10 HB2 ALA 2 HB2 ALA 2 2.904 5.238 -4.331
11 HB3 ALA 2 HB3 ALA 2 2.201 3.972 -5.337
12 H GLU 3 H GLU 3 2.503 1.438 -4.276
13 HA GLU 3 HA GLU 3 2.822 -0.221 -2.094
14 HB2 GLU 3 HB3 GLU 3 2.799 -0.759 -4.627
15 HB3 GLU 3 HB2 GLU 3 4.537 -0.521 -4.543
16 HG2 GLU 3 HG3 GLU 3 4.191 -2.829 -4.323
17 HG3 GLU 3 HG2 GLU 3 4.560 -2.244 -2.701
18 H PHE 4 H PHE 4 5.165 1.937 -3.584
19 HA PHE 4 HA PHE 4 7.406 1.016 -2.096
20 HB2 PHE 4 HB3 PHE 4 8.521 3.045 -2.894
21 HB3 PHE 4 HB2 PHE 4 7.654 2.253 -4.207
22 HD1 PHE 4 HD1 PHE 4 7.418 5.025 -1.756
23 HD2 PHE 4 HD2 PHE 4 6.060 3.413 -5.454
24 HE1 PHE 4 HE1 PHE 4 6.232 7.127 -2.233
25 HE2 PHE 4 HE2 PHE 4 4.874 5.514 -5.938
26 HZ PHE 4 HZ PHE 4 4.959 7.374 -4.326
27 H ARG 5 H ARG 5 4.911 3.402 -1.550
28 HA ARG 5 HA ARG 5 6.202 4.618 0.702
29 HB2 ARG 5 HB3 ARG 5 4.536 5.767 -0.778
30 HB3 ARG 5 HB2 ARG 5 3.288 4.746 -0.078
31 HG2 ARG 5 HG3 ARG 5 3.222 6.855 1.018
32 HG3 ARG 5 HG2 ARG 5 3.874 5.673 2.154
33 HD2 ARG 5 HD3 ARG 5 6.123 6.448 1.725
34 HD3 ARG 5 HD2 ARG 5 5.537 7.552 0.481
35 HE ARG 5 HE ARG 5 4.362 7.993 3.067
36 HH11 ARG 5 HH11 ARG 5 7.072 8.726 0.994
37 HH12 ARG 5 HH12 ARG 5 7.446 10.212 1.798
38 HH21 ARG 5 HH21 ARG 5 4.853 9.949 4.126
39 HH22 ARG 5 HH22 ARG 5 6.187 10.907 3.579
40 H HIS 6 H HIS 6 3.699 2.178 0.226
41 HA HIS 6 HA HIS 6 3.019 1.899 2.972
42 HB2 HIS 6 HB3 HIS 6 2.727 -0.132 0.753
43 HB3 HIS 6 HB2 HIS 6 1.870 -0.138 2.291
44 HD1 HIS 6 HD1 HIS 6 0.450 2.344 2.582
45 HD2 HIS 6 HD2 HIS 6 1.209 0.802 -1.199
46 HE1 HIS 6 HE1 HIS 6 -1.223 3.430 1.024
47 H HIS 7 H HIS 7 5.187 0.155 0.806
48 HA HIS 7 HA HIS 7 6.168 -1.459 3.033
49 HB2 HIS 7 HB3 HIS 7 6.809 -1.623 0.082
50 HB3 HIS 7 HB2 HIS 7 7.313 -2.774 1.313
51 HD1 HIS 7 HD1 HIS 7 5.645 -4.595 1.953
52 HD2 HIS 7 HD2 HIS 7 4.005 -1.661 -0.494
53 HE1 HIS 7 HE1 HIS 7 3.381 -5.453 1.223
54 H SER 8 H SER 8 8.451 -1.681 3.411
55 HA SER 8 HA SER 8 10.003 0.692 2.610
56 HB2 SER 8 HB3 SER 8 11.091 0.623 4.831
57 HB3 SER 8 HB2 SER 8 9.351 0.880 4.960
58 HG SER 8 HG SER 8 10.717 -1.586 5.305
59 H GLY 9 H GLY 9 12.315 0.409 2.514
60 HA2 GLY 9 HA3 GLY 9 14.034 -1.497 2.885
61 HA3 GLY 9 HA2 GLY 9 13.016 -2.333 1.724
62 H TYR 10 H TYR 10 14.617 0.836 2.063
63 HA TYR 10 HA TYR 10 15.182 0.793 -0.809
64 HB2 TYR 10 HB3 TYR 10 16.014 3.202 -0.240
65 HB3 TYR 10 HB2 TYR 10 14.287 2.875 -0.319
66 HD1 TYR 10 HD1 TYR 10 16.735 2.182 2.414
67 HD2 TYR 10 HD2 TYR 10 13.298 4.359 1.169
68 HE1 TYR 10 HE1 TYR 10 16.474 3.062 4.695
69 HE2 TYR 10 HE2 TYR 10 13.026 5.243 3.446
70 HH TYR 10 HH TYR 10 13.865 4.240 5.924
71 HN1 NH2 11 HN1 NH2 11 17.448 1.918 -1.375
72 HN2 NH2 11 HN2 NH2 11 18.806 1.246 -0.501
73 H1 ASP 1 H1 ASP 1 1.272 -5.707 1.591
74 H2 ASP 1 H2 ASP 1 1.559 -6.908 0.397
75 H3 ASP 1 H3 ASP 1 0.874 -7.344 1.907
76 HA ASP 1 HA ASP 1 -0.863 -7.338 0.412
77 HB2 ASP 1 HB3 ASP 1 -1.116 -4.584 1.570
78 HB3 ASP 1 HB2 ASP 1 -2.309 -5.875 1.503
79 H ALA 2 H ALA 2 -2.337 -5.681 -0.874
80 HA ALA 2 HA ALA 2 -0.575 -4.348 -2.824
81 HB1 ALA 2 HB1 ALA 2 -1.555 -5.603 -4.370
82 HB2 ALA 2 HB2 ALA 2 -3.084 -4.805 -4.010
83 HB3 ALA 2 HB3 ALA 2 -2.648 -6.292 -3.169
84 H GLU 3 H GLU 3 -1.872 -2.644 -4.129
85 HA GLU 3 HA GLU 3 -2.436 -0.492 -2.502
86 HB2 GLU 3 HB3 GLU 3 -1.978 -0.523 -5.009
87 HB3 GLU 3 HB2 GLU 3 -3.690 -0.859 -5.216
88 HG2 GLU 3 HG3 GLU 3 -3.516 1.442 -5.490
89 HG3 GLU 3 HG2 GLU 3 -4.093 1.247 -3.837
90 H PHE 4 H PHE 4 -4.672 -2.909 -3.778
91 HA PHE 4 HA PHE 4 -7.023 -1.571 -2.907
92 HB2 PHE 4 HB3 PHE 4 -8.204 -3.587 -3.465
93 HB3 PHE 4 HB2 PHE 4 -6.972 -3.327 -4.692
94 HD1 PHE 4 HD1 PHE 4 -8.170 -5.493 -2.054
95 HD2 PHE 4 HD2 PHE 4 -4.947 -4.739 -4.727
96 HE1 PHE 4 HE1 PHE 4 -7.325 -7.771 -1.669
97 HE2 PHE 4 HE2 PHE 4 -4.096 -7.016 -4.349
98 HZ PHE 4 HZ PHE 4 -5.285 -8.536 -2.818
99 H ARG 5 H ARG 5 -4.777 -3.782 -1.419
100 HA ARG 5 HA ARG 5 -6.446 -4.397 0.830
101 HB2 ARG 5 HB3 ARG 5 -3.477 -4.731 0.384
102 HB3 ARG 5 HB2 ARG 5 -4.330 -5.311 1.808
103 HG2 ARG 5 HG3 ARG 5 -5.761 -6.677 0.284
104 HG3 ARG 5 HG2 ARG 5 -4.686 -6.216 -1.036
105 HD2 ARG 5 HD3 ARG 5 -2.795 -7.192 0.221
106 HD3 ARG 5 HD2 ARG 5 -3.924 -7.716 1.468
107 HE ARG 5 HE ARG 5 -4.897 -8.776 -0.862
108 HH11 ARG 5 HH11 ARG 5 -1.884 -8.959 0.889
109 HH12 ARG 5 HH12 ARG 5 -1.504 -10.550 0.322
110 HH21 ARG 5 HH21 ARG 5 -4.399 -10.872 -1.611
111 HH22 ARG 5 HH22 ARG 5 -2.932 -11.636 -1.096
112 H HIS 6 H HIS 6 -3.794 -2.163 0.176
113 HA HIS 6 HA HIS 6 -3.615 -1.119 2.816
114 HB2 HIS 6 HB3 HIS 6 -2.862 0.251 0.228
115 HB3 HIS 6 HB2 HIS 6 -2.282 0.662 1.838
116 HD1 HIS 6 HD1 HIS 6 -0.848 -1.461 2.995
117 HD2 HIS 6 HD2 HIS 6 -1.217 -1.311 -1.139
118 HE1 HIS 6 HE1 HIS 6 1.008 -2.912 2.060
119 H HIS 7 H HIS 7 -5.359 -0.171 -0.086
120 HA HIS 7 HA HIS 7 -6.653 2.025 1.347
121 HB2 HIS 7 HB3 HIS 7 -6.735 1.275 -1.582
122 HB3 HIS 7 HB2 HIS 7 -7.481 2.703 -0.873
123 HD1 HIS 7 HD1 HIS 7 -6.065 4.764 -0.898
124 HD2 HIS 7 HD2 HIS 7 -3.800 1.295 -1.230
125 HE1 HIS 7 HE1 HIS 7 -3.678 5.506 -1.280
126 H SER 8 H SER 8 -9.051 2.322 0.570
127 HA SER 8 HA SER 8 -10.407 -0.236 1.087
128 HB2 SER 8 HB3 SER 8 -11.323 2.606 1.586
129 HB3 SER 8 HB2 SER 8 -12.316 1.175 1.862
130 HG SER 8 HG SER 8 -10.092 2.109 3.273
131 H GLY 9 H GLY 9 -11.726 -1.083 -0.403
132 HA2 GLY 9 HA3 GLY 9 -13.410 0.235 -2.147
133 HA3 GLY 9 HA2 GLY 9 -11.881 0.090 -3.000
134 H TYR 10 H TYR 10 -13.231 -1.174 -4.503
135 HA TYR 10 HA TYR 10 -13.655 -3.932 -3.568
136 HB2 TYR 10 HB3 TYR 10 -14.893 -2.473 -5.911
137 HB3 TYR 10 HB2 TYR 10 -15.184 -4.163 -5.508
138 HD1 TYR 10 HD1 TYR 10 -15.675 -0.685 -4.354
139 HD2 TYR 10 HD2 TYR 10 -16.733 -4.771 -3.809
140 HE1 TYR 10 HE1 TYR 10 -17.508 -0.006 -2.864
141 HE2 TYR 10 HE2 TYR 10 -18.570 -4.102 -2.319
142 HH TYR 10 HH TYR 10 -19.691 -0.943 -2.084
143 HN1 NH2 11 HN1 NH2 11 -12.612 -2.109 -6.527
144 HN2 NH2 11 HN2 NH2 11 -11.484 -3.335 -7.061
Start of MODEL 13
1 H1 ASP 1 H1 ASP 1 -0.706 8.103 -0.147
2 H2 ASP 1 H2 ASP 1 -1.600 6.650 -0.338
3 H3 ASP 1 H3 ASP 1 -0.962 7.455 -1.713
4 HA ASP 1 HA ASP 1 1.273 7.116 -0.689
5 HB2 ASP 1 HB3 ASP 1 -0.458 5.267 0.963
6 HB3 ASP 1 HB2 ASP 1 1.291 5.101 0.843
7 H ALA 2 H ALA 2 2.499 5.261 -1.455
8 HA ALA 2 HA ALA 2 0.970 3.567 -3.321
9 HB1 ALA 2 HB1 ALA 2 2.992 5.470 -3.916
10 HB2 ALA 2 HB2 ALA 2 2.131 4.397 -5.019
11 HB3 ALA 2 HB3 ALA 2 3.632 3.863 -4.261
12 H GLU 3 H GLU 3 2.432 1.657 -4.066
13 HA GLU 3 HA GLU 3 2.798 -0.089 -1.987
14 HB2 GLU 3 HB3 GLU 3 2.896 -0.389 -4.615
15 HB3 GLU 3 HB2 GLU 3 4.630 -0.334 -4.331
16 HG2 GLU 3 HG3 GLU 3 4.386 -2.550 -4.090
17 HG3 GLU 3 HG2 GLU 3 3.914 -2.111 -2.450
18 H PHE 4 H PHE 4 5.148 2.158 -3.344
19 HA PHE 4 HA PHE 4 7.361 1.180 -1.852
20 HB2 PHE 4 HB3 PHE 4 8.508 3.207 -2.561
21 HB3 PHE 4 HB2 PHE 4 7.629 2.511 -3.916
22 HD1 PHE 4 HD1 PHE 4 7.661 5.241 -1.447
23 HD2 PHE 4 HD2 PHE 4 5.873 3.695 -4.984
24 HE1 PHE 4 HE1 PHE 4 6.552 7.403 -1.826
25 HE2 PHE 4 HE2 PHE 4 4.760 5.855 -5.370
26 HZ PHE 4 HZ PHE 4 5.098 7.713 -3.790
27 H ARG 5 H ARG 5 4.842 3.523 -1.250
28 HA ARG 5 HA ARG 5 6.091 4.620 1.094
29 HB2 ARG 5 HB3 ARG 5 4.439 5.821 -0.423
30 HB3 ARG 5 HB2 ARG 5 3.186 4.838 0.323
31 HG2 ARG 5 HG3 ARG 5 3.071 6.745 1.578
32 HG3 ARG 5 HG2 ARG 5 4.175 5.767 2.546
33 HD2 ARG 5 HD3 ARG 5 6.070 6.907 1.373
34 HD3 ARG 5 HD2 ARG 5 4.885 7.985 0.637
35 HE ARG 5 HE ARG 5 4.772 7.857 3.518
36 HH11 ARG 5 HH11 ARG 5 6.159 9.466 0.747
37 HH12 ARG 5 HH12 ARG 5 6.519 10.920 1.616
38 HH21 ARG 5 HH21 ARG 5 5.244 9.767 4.660
39 HH22 ARG 5 HH22 ARG 5 6.000 11.091 3.837
40 H HIS 6 H HIS 6 3.571 2.250 0.402
41 HA HIS 6 HA HIS 6 2.779 1.829 3.095
42 HB2 HIS 6 HB3 HIS 6 2.590 -0.126 0.798
43 HB3 HIS 6 HB2 HIS 6 1.630 -0.136 2.272
44 HD1 HIS 6 HD1 HIS 6 0.240 2.372 2.501
45 HD2 HIS 6 HD2 HIS 6 1.233 0.866 -1.241
46 HE1 HIS 6 HE1 HIS 6 -1.299 3.510 0.848
47 H HIS 7 H HIS 7 5.043 0.182 0.947
48 HA HIS 7 HA HIS 7 5.887 -1.586 3.102
49 HB2 HIS 7 HB3 HIS 7 6.707 -1.465 0.195
50 HB3 HIS 7 HB2 HIS 7 7.246 -2.683 1.346
51 HD1 HIS 7 HD1 HIS 7 5.694 -4.662 1.738
52 HD2 HIS 7 HD2 HIS 7 3.915 -1.605 -0.444
53 HE1 HIS 7 HE1 HIS 7 3.486 -5.571 0.900
54 H SER 8 H SER 8 7.795 -1.472 4.141
55 HA SER 8 HA SER 8 9.630 0.701 3.362
56 HB2 SER 8 HB3 SER 8 8.436 1.220 5.452
57 HB3 SER 8 HB2 SER 8 9.009 -0.293 6.156
58 HG SER 8 HG SER 8 10.747 1.718 5.177
59 H GLY 9 H GLY 9 11.784 0.263 3.275
60 HA2 GLY 9 HA3 GLY 9 13.663 -1.100 4.103
61 HA3 GLY 9 HA2 GLY 9 12.601 -2.493 3.963
62 H TYR 10 H TYR 10 15.144 -2.340 2.780
63 HA TYR 10 HA TYR 10 14.497 -2.095 -0.082
64 HB2 TYR 10 HB3 TYR 10 17.191 -2.019 1.294
65 HB3 TYR 10 HB2 TYR 10 16.933 -1.895 -0.444
66 HD1 TYR 10 HD1 TYR 10 16.524 -0.188 2.786
67 HD2 TYR 10 HD2 TYR 10 16.142 0.148 -1.437
68 HE1 TYR 10 HE1 TYR 10 16.274 2.249 3.008
69 HE2 TYR 10 HE2 TYR 10 15.891 2.585 -1.228
70 HH TYR 10 HH TYR 10 16.476 4.248 1.742
71 HN1 NH2 11 HN1 NH2 11 15.668 -3.716 -1.555
72 HN2 NH2 11 HN2 NH2 11 15.809 -5.355 -0.959
73 H1 ASP 1 H1 ASP 1 0.682 -7.292 2.510
74 H2 ASP 1 H2 ASP 1 1.427 -6.163 1.454
75 H3 ASP 1 H3 ASP 1 1.092 -7.758 0.912
76 HA ASP 1 HA ASP 1 -1.167 -7.411 0.886
77 HB2 ASP 1 HB3 ASP 1 -0.493 -4.916 2.451
78 HB3 ASP 1 HB2 ASP 1 -2.075 -5.192 1.734
79 H ALA 2 H ALA 2 -2.435 -5.816 -0.491
80 HA ALA 2 HA ALA 2 -0.611 -4.591 -2.456
81 HB1 ALA 2 HB1 ALA 2 -3.159 -5.028 -3.612
82 HB2 ALA 2 HB2 ALA 2 -2.686 -6.507 -2.777
83 HB3 ALA 2 HB3 ALA 2 -1.628 -5.812 -4.004
84 H GLU 3 H GLU 3 -1.964 -2.982 -3.894
85 HA GLU 3 HA GLU 3 -2.416 -0.691 -2.413
86 HB2 GLU 3 HB3 GLU 3 -2.088 -1.066 -4.980
87 HB3 GLU 3 HB2 GLU 3 -3.846 -1.100 -5.009
88 HG2 GLU 3 HG3 GLU 3 -3.573 1.106 -5.356
89 HG3 GLU 3 HG2 GLU 3 -3.497 1.133 -3.596
90 H PHE 4 H PHE 4 -4.730 -3.137 -3.465
91 HA PHE 4 HA PHE 4 -7.030 -1.688 -2.636
92 HB2 PHE 4 HB3 PHE 4 -8.265 -3.714 -3.026
93 HB3 PHE 4 HB2 PHE 4 -7.068 -3.548 -4.304
94 HD1 PHE 4 HD1 PHE 4 -8.248 -5.557 -1.547
95 HD2 PHE 4 HD2 PHE 4 -5.042 -4.975 -4.282
96 HE1 PHE 4 HE1 PHE 4 -7.426 -7.824 -1.060
97 HE2 PHE 4 HE2 PHE 4 -4.213 -7.242 -3.800
98 HZ PHE 4 HZ PHE 4 -5.405 -8.669 -2.186
99 H ARG 5 H ARG 5 -4.770 -3.794 -1.041
100 HA ARG 5 HA ARG 5 -6.401 -4.226 1.288
101 HB2 ARG 5 HB3 ARG 5 -3.461 -4.656 0.769
102 HB3 ARG 5 HB2 ARG 5 -4.260 -5.098 2.269
103 HG2 ARG 5 HG3 ARG 5 -4.970 -6.180 -0.443
104 HG3 ARG 5 HG2 ARG 5 -3.930 -6.989 0.726
105 HD2 ARG 5 HD3 ARG 5 -6.702 -6.126 1.467
106 HD3 ARG 5 HD2 ARG 5 -6.423 -7.646 0.623
107 HE ARG 5 HE ARG 5 -5.348 -6.974 3.284
108 HH11 ARG 5 HH11 ARG 5 -6.385 -9.340 0.922
109 HH12 ARG 5 HH12 ARG 5 -6.199 -10.675 2.005
110 HH21 ARG 5 HH21 ARG 5 -5.107 -8.737 4.695
111 HH22 ARG 5 HH22 ARG 5 -5.475 -10.335 4.142
112 H HIS 6 H HIS 6 -3.704 -2.134 0.397
113 HA HIS 6 HA HIS 6 -3.373 -0.919 2.930
114 HB2 HIS 6 HB3 HIS 6 -2.755 0.319 0.245
115 HB3 HIS 6 HB2 HIS 6 -2.031 0.732 1.794
116 HD1 HIS 6 HD1 HIS 6 -0.861 -1.719 2.886
117 HD2 HIS 6 HD2 HIS 6 -1.039 -1.066 -1.210
118 HE1 HIS 6 HE1 HIS 6 0.916 -3.200 1.848
119 H HIS 7 H HIS 7 -5.284 -0.100 0.092
120 HA HIS 7 HA HIS 7 -6.435 2.203 1.484
121 HB2 HIS 7 HB3 HIS 7 -6.703 1.293 -1.389
122 HB3 HIS 7 HB2 HIS 7 -7.427 2.751 -0.719
123 HD1 HIS 7 HD1 HIS 7 -6.003 4.826 -0.789
124 HD2 HIS 7 HD2 HIS 7 -3.795 1.349 -1.352
125 HE1 HIS 7 HE1 HIS 7 -3.659 5.562 -1.385
126 H SER 8 H SER 8 -8.773 2.523 1.391
127 HA SER 8 HA SER 8 -10.290 0.006 1.306
128 HB2 SER 8 HB3 SER 8 -10.428 2.146 3.440
129 HB3 SER 8 HB2 SER 8 -11.603 0.841 3.275
130 HG SER 8 HG SER 8 -8.830 0.351 3.527
131 H GLY 9 H GLY 9 -12.308 0.116 0.419
132 HA2 GLY 9 HA3 GLY 9 -13.358 2.776 -0.272
133 HA3 GLY 9 HA2 GLY 9 -13.131 1.585 -1.545
134 H TYR 10 H TYR 10 -15.604 2.767 -0.949
135 HA TYR 10 HA TYR 10 -17.122 0.795 0.557
136 HB2 TYR 10 HB3 TYR 10 -17.908 3.384 -0.787
137 HB3 TYR 10 HB2 TYR 10 -19.059 2.320 0.015
138 HD1 TYR 10 HD1 TYR 10 -16.307 4.685 0.497
139 HD2 TYR 10 HD2 TYR 10 -19.083 2.112 2.438
140 HE1 TYR 10 HE1 TYR 10 -15.814 5.783 2.641
141 HE2 TYR 10 HE2 TYR 10 -18.599 3.202 4.589
142 HH TYR 10 HH TYR 10 -15.981 5.037 5.172
143 HN1 NH2 11 HN1 NH2 11 -16.419 1.640 -2.796
144 HN2 NH2 11 HN2 NH2 11 -17.481 0.450 -3.517
Start of MODEL 14
1 H1 ASP 1 H1 ASP 1 -1.089 7.468 -1.829
2 H2 ASP 1 H2 ASP 1 -0.936 7.856 -0.164
3 H3 ASP 1 H3 ASP 1 -1.675 6.382 -0.638
4 HA ASP 1 HA ASP 1 1.139 7.151 -1.030
5 HB2 ASP 1 HB3 ASP 1 -0.303 5.288 0.856
6 HB3 ASP 1 HB2 ASP 1 1.424 5.150 0.541
7 H ALA 2 H ALA 2 2.451 5.267 -1.712
8 HA ALA 2 HA ALA 2 0.938 3.516 -3.539
9 HB1 ALA 2 HB1 ALA 2 3.777 4.205 -4.100
10 HB2 ALA 2 HB2 ALA 2 2.529 5.397 -4.456
11 HB3 ALA 2 HB3 ALA 2 2.471 3.807 -5.214
12 H GLU 3 H GLU 3 2.469 1.608 -4.233
13 HA GLU 3 HA GLU 3 2.724 -0.111 -2.098
14 HB2 GLU 3 HB3 GLU 3 2.732 -0.628 -4.603
15 HB3 GLU 3 HB2 GLU 3 4.462 -0.321 -4.546
16 HG2 GLU 3 HG3 GLU 3 4.247 -2.636 -4.350
17 HG3 GLU 3 HG2 GLU 3 4.560 -2.070 -2.710
18 H PHE 4 H PHE 4 5.176 2.038 -3.462
19 HA PHE 4 HA PHE 4 7.321 0.992 -1.912
20 HB2 PHE 4 HB3 PHE 4 8.618 2.818 -2.714
21 HB3 PHE 4 HB2 PHE 4 7.546 2.362 -4.033
22 HD1 PHE 4 HD1 PHE 4 8.309 4.902 -1.516
23 HD2 PHE 4 HD2 PHE 4 5.788 3.836 -4.772
24 HE1 PHE 4 HE1 PHE 4 7.522 7.228 -1.663
25 HE2 PHE 4 HE2 PHE 4 4.997 6.160 -4.926
26 HZ PHE 4 HZ PHE 4 5.864 7.861 -3.371
27 H ARG 5 H ARG 5 4.904 3.460 -1.392
28 HA ARG 5 HA ARG 5 6.144 4.552 0.946
29 HB2 ARG 5 HB3 ARG 5 4.594 5.829 -0.534
30 HB3 ARG 5 HB2 ARG 5 3.278 4.812 0.034
31 HG2 ARG 5 HG3 ARG 5 3.302 6.942 1.192
32 HG3 ARG 5 HG2 ARG 5 3.629 5.614 2.308
33 HD2 ARG 5 HD3 ARG 5 5.820 6.219 2.605
34 HD3 ARG 5 HD2 ARG 5 5.936 6.982 1.020
35 HE ARG 5 HE ARG 5 5.064 8.204 3.485
36 HH11 ARG 5 HH11 ARG 5 5.058 8.407 0.001
37 HH12 ARG 5 HH12 ARG 5 4.782 10.116 -0.024
38 HH21 ARG 5 HH21 ARG 5 4.703 10.451 3.454
39 HH22 ARG 5 HH22 ARG 5 4.581 11.276 1.936
40 H HIS 6 H HIS 6 3.584 2.214 0.292
41 HA HIS 6 HA HIS 6 2.767 1.864 2.985
42 HB2 HIS 6 HB3 HIS 6 2.584 -0.121 0.709
43 HB3 HIS 6 HB2 HIS 6 1.636 -0.142 2.193
44 HD1 HIS 6 HD1 HIS 6 0.316 2.446 2.426
45 HD2 HIS 6 HD2 HIS 6 1.114 0.781 -1.294
46 HE1 HIS 6 HE1 HIS 6 -1.260 3.565 0.796
47 H HIS 7 H HIS 7 5.066 0.179 0.912
48 HA HIS 7 HA HIS 7 5.882 -1.539 3.124
49 HB2 HIS 7 HB3 HIS 7 6.729 -1.504 0.221
50 HB3 HIS 7 HB2 HIS 7 7.261 -2.684 1.414
51 HD1 HIS 7 HD1 HIS 7 5.740 -4.679 1.802
52 HD2 HIS 7 HD2 HIS 7 3.924 -1.662 -0.408
53 HE1 HIS 7 HE1 HIS 7 3.552 -5.628 0.959
54 H SER 8 H SER 8 7.568 -1.081 4.370
55 HA SER 8 HA SER 8 9.238 1.196 3.756
56 HB2 SER 8 HB3 SER 8 8.437 0.885 6.047
57 HB3 SER 8 HB2 SER 8 9.244 -0.681 6.134
58 HG SER 8 HG SER 8 11.234 0.430 5.859
59 H GLY 9 H GLY 9 11.264 1.163 2.993
60 HA2 GLY 9 HA3 GLY 9 13.216 -0.747 3.391
61 HA3 GLY 9 HA2 GLY 9 12.345 -1.261 1.956
62 H TYR 10 H TYR 10 14.704 -0.905 1.226
63 HA TYR 10 HA TYR 10 15.409 1.853 0.716
64 HB2 TYR 10 HB3 TYR 10 17.394 0.903 -0.393
65 HB3 TYR 10 HB2 TYR 10 17.174 0.243 1.224
66 HD1 TYR 10 HD1 TYR 10 16.556 -2.084 1.547
67 HD2 TYR 10 HD2 TYR 10 17.085 -0.489 -2.361
68 HE1 TYR 10 HE1 TYR 10 16.630 -4.367 0.632
69 HE2 TYR 10 HE2 TYR 10 17.160 -2.766 -3.287
70 HH TYR 10 HH TYR 10 16.161 -5.463 -1.620
71 HN1 NH2 11 HN1 NH2 11 13.354 -0.404 -0.788
72 HN2 NH2 11 HN2 NH2 11 13.356 0.291 -2.394
73 H1 ASP 1 H1 ASP 1 1.311 -7.695 -0.197
74 H2 ASP 1 H2 ASP 1 0.855 -7.830 1.454
75 H3 ASP 1 H3 ASP 1 1.615 -6.399 0.885
76 HA ASP 1 HA ASP 1 -1.039 -7.413 0.118
77 HB2 ASP 1 HB3 ASP 1 -0.075 -5.154 1.876
78 HB3 ASP 1 HB2 ASP 1 -1.723 -5.255 1.266
79 H ALA 2 H ALA 2 -2.263 -5.799 -1.136
80 HA ALA 2 HA ALA 2 -0.486 -4.322 -2.966
81 HB1 ALA 2 HB1 ALA 2 -1.472 -5.421 -4.619
82 HB2 ALA 2 HB2 ALA 2 -3.016 -4.699 -4.164
83 HB3 ALA 2 HB3 ALA 2 -2.526 -6.246 -3.470
84 H GLU 3 H GLU 3 -1.856 -2.601 -4.213
85 HA GLU 3 HA GLU 3 -2.385 -0.495 -2.512
86 HB2 GLU 3 HB3 GLU 3 -2.017 -0.514 -5.061
87 HB3 GLU 3 HB2 GLU 3 -3.751 -0.773 -5.177
88 HG2 GLU 3 HG3 GLU 3 -3.741 1.478 -5.317
89 HG3 GLU 3 HG2 GLU 3 -3.777 1.334 -3.561
90 H PHE 4 H PHE 4 -4.554 -3.009 -3.633
91 HA PHE 4 HA PHE 4 -6.923 -1.688 -2.714
92 HB2 PHE 4 HB3 PHE 4 -8.021 -3.898 -3.119
93 HB3 PHE 4 HB2 PHE 4 -7.174 -3.246 -4.515
94 HD1 PHE 4 HD1 PHE 4 -7.128 -5.829 -1.907
95 HD2 PHE 4 HD2 PHE 4 -5.279 -4.360 -5.447
96 HE1 PHE 4 HE1 PHE 4 -5.907 -7.953 -2.148
97 HE2 PHE 4 HE2 PHE 4 -4.052 -6.479 -5.690
98 HZ PHE 4 HZ PHE 4 -4.367 -8.279 -4.040
99 H ARG 5 H ARG 5 -4.544 -3.775 -1.306
100 HA ARG 5 HA ARG 5 -6.172 -4.558 0.936
101 HB2 ARG 5 HB3 ARG 5 -3.197 -4.725 0.462
102 HB3 ARG 5 HB2 ARG 5 -4.011 -5.404 1.864
103 HG2 ARG 5 HG3 ARG 5 -4.533 -6.189 -0.989
104 HG3 ARG 5 HG2 ARG 5 -3.502 -7.072 0.134
105 HD2 ARG 5 HD3 ARG 5 -6.366 -6.470 0.794
106 HD3 ARG 5 HD2 ARG 5 -5.929 -7.869 -0.183
107 HE ARG 5 HE ARG 5 -4.341 -7.963 2.081
108 HH11 ARG 5 HH11 ARG 5 -7.750 -8.068 1.333
109 HH12 ARG 5 HH12 ARG 5 -8.147 -9.051 2.702
110 HH21 ARG 5 HH21 ARG 5 -4.863 -9.258 3.880
111 HH22 ARG 5 HH22 ARG 5 -6.508 -9.726 4.148
112 H HIS 6 H HIS 6 -3.604 -2.217 0.324
113 HA HIS 6 HA HIS 6 -3.467 -1.247 2.997
114 HB2 HIS 6 HB3 HIS 6 -2.666 0.247 0.501
115 HB3 HIS 6 HB2 HIS 6 -2.041 0.472 2.131
116 HD1 HIS 6 HD1 HIS 6 -0.693 -1.796 3.061
117 HD2 HIS 6 HD2 HIS 6 -1.149 -1.304 -1.037
118 HE1 HIS 6 HE1 HIS 6 1.042 -3.282 1.966
119 H HIS 7 H HIS 7 -5.069 -0.115 0.063
120 HA HIS 7 HA HIS 7 -6.266 2.137 1.405
121 HB2 HIS 7 HB3 HIS 7 -6.645 1.000 -1.369
122 HB3 HIS 7 HB2 HIS 7 -7.428 2.466 -0.788
123 HD1 HIS 7 HD1 HIS 7 -6.183 4.567 -1.311
124 HD2 HIS 7 HD2 HIS 7 -3.682 1.250 -1.168
125 HE1 HIS 7 HE1 HIS 7 -3.877 5.388 -1.946
126 H SER 8 H SER 8 -7.008 -1.144 1.179
127 HA SER 8 HA SER 8 -8.829 -2.392 1.722
128 HB2 SER 8 HB3 SER 8 -8.749 -0.237 3.523
129 HB3 SER 8 HB2 SER 8 -10.436 -0.371 3.031
130 HG SER 8 HG SER 8 -9.661 -1.713 4.874
131 H GLY 9 H GLY 9 -8.864 -1.217 -0.821
132 HA2 GLY 9 HA3 GLY 9 -11.296 0.093 -1.427
133 HA3 GLY 9 HA2 GLY 9 -10.267 -0.747 -2.578
134 H TYR 10 H TYR 10 -13.138 -0.695 -2.533
135 HA TYR 10 HA TYR 10 -13.932 -3.344 -1.627
136 HB2 TYR 10 HB3 TYR 10 -15.522 -1.146 -2.966
137 HB3 TYR 10 HB2 TYR 10 -16.194 -2.656 -2.359
138 HD1 TYR 10 HD1 TYR 10 -14.524 0.489 -1.347
139 HD2 TYR 10 HD2 TYR 10 -16.730 -2.917 -0.066
140 HE1 TYR 10 HE1 TYR 10 -14.831 1.526 0.860
141 HE2 TYR 10 HE2 TYR 10 -17.043 -1.888 2.146
142 HH TYR 10 HH TYR 10 -15.273 0.587 3.290
143 HN1 NH2 11 HN1 NH2 11 -14.649 -5.052 -3.019
144 HN2 NH2 11 HN2 NH2 11 -14.302 -5.036 -4.734
Start of MODEL 15
1 H1 ASP 1 H1 ASP 1 -0.621 7.496 -2.140
2 H2 ASP 1 H2 ASP 1 -0.552 7.968 -0.492
3 H3 ASP 1 H3 ASP 1 -1.475 6.598 -0.957
4 HA ASP 1 HA ASP 1 1.449 6.901 -1.071
5 HB2 ASP 1 HB3 ASP 1 -0.369 5.124 0.574
6 HB3 ASP 1 HB2 ASP 1 1.392 5.119 0.630
7 H ALA 2 H ALA 2 2.585 5.113 -1.905
8 HA ALA 2 HA ALA 2 0.976 3.334 -3.623
9 HB1 ALA 2 HB1 ALA 2 2.902 5.179 -4.407
10 HB2 ALA 2 HB2 ALA 2 2.223 3.877 -5.384
11 HB3 ALA 2 HB3 ALA 2 3.720 3.620 -4.489
12 H GLU 3 H GLU 3 2.554 1.431 -4.364
13 HA GLU 3 HA GLU 3 2.814 -0.290 -2.217
14 HB2 GLU 3 HB3 GLU 3 2.803 -0.799 -4.737
15 HB3 GLU 3 HB2 GLU 3 4.538 -0.519 -4.673
16 HG2 GLU 3 HG3 GLU 3 4.253 -2.839 -4.488
17 HG3 GLU 3 HG2 GLU 3 4.627 -2.274 -2.861
18 H PHE 4 H PHE 4 5.091 2.053 -3.445
19 HA PHE 4 HA PHE 4 7.302 0.991 -1.926
20 HB2 PHE 4 HB3 PHE 4 8.575 2.849 -2.779
21 HB3 PHE 4 HB2 PHE 4 7.608 2.196 -4.096
22 HD1 PHE 4 HD1 PHE 4 8.105 5.027 -1.843
23 HD2 PHE 4 HD2 PHE 4 5.778 3.458 -5.041
24 HE1 PHE 4 HE1 PHE 4 7.182 7.268 -2.266
25 HE2 PHE 4 HE2 PHE 4 4.851 5.696 -5.470
26 HZ PHE 4 HZ PHE 4 5.552 7.605 -4.083
27 H ARG 5 H ARG 5 4.748 3.271 -1.448
28 HA ARG 5 HA ARG 5 6.007 4.595 0.786
29 HB2 ARG 5 HB3 ARG 5 4.386 5.730 -0.738
30 HB3 ARG 5 HB2 ARG 5 3.122 4.692 -0.096
31 HG2 ARG 5 HG3 ARG 5 2.856 5.964 1.707
32 HG3 ARG 5 HG2 ARG 5 4.592 6.045 2.004
33 HD2 ARG 5 HD3 ARG 5 3.968 7.606 -0.306
34 HD3 ARG 5 HD2 ARG 5 2.887 8.068 1.008
35 HE ARG 5 HE ARG 5 5.494 7.925 2.014
36 HH11 ARG 5 HH11 ARG 5 3.607 9.856 -0.198
37 HH12 ARG 5 HH12 ARG 5 4.537 11.293 0.067
38 HH21 ARG 5 HH21 ARG 5 6.717 9.814 2.364
39 HH22 ARG 5 HH22 ARG 5 6.303 11.268 1.522
40 H HIS 6 H HIS 6 3.515 2.139 0.294
41 HA HIS 6 HA HIS 6 2.795 1.904 3.037
42 HB2 HIS 6 HB3 HIS 6 2.511 -0.177 0.864
43 HB3 HIS 6 HB2 HIS 6 1.619 -0.113 2.378
44 HD1 HIS 6 HD1 HIS 6 0.112 2.253 2.579
45 HD2 HIS 6 HD2 HIS 6 1.186 0.870 -1.186
46 HE1 HIS 6 HE1 HIS 6 -1.465 3.361 0.942
47 H HIS 7 H HIS 7 5.037 0.189 0.935
48 HA HIS 7 HA HIS 7 5.912 -1.507 3.138
49 HB2 HIS 7 HB3 HIS 7 6.738 -1.452 0.227
50 HB3 HIS 7 HB2 HIS 7 7.274 -2.639 1.412
51 HD1 HIS 7 HD1 HIS 7 5.738 -4.622 1.831
52 HD2 HIS 7 HD2 HIS 7 3.944 -1.626 -0.426
53 HE1 HIS 7 HE1 HIS 7 3.555 -5.576 0.978
54 H SER 8 H SER 8 7.793 -1.279 4.204
55 HA SER 8 HA SER 8 9.608 0.868 3.315
56 HB2 SER 8 HB3 SER 8 8.786 0.069 6.112
57 HB3 SER 8 HB2 SER 8 10.164 1.119 5.779
58 HG SER 8 HG SER 8 7.617 1.795 5.959
59 H GLY 9 H GLY 9 11.700 0.368 3.054
60 HA2 GLY 9 HA3 GLY 9 13.133 -1.553 4.514
61 HA3 GLY 9 HA2 GLY 9 12.563 -2.308 3.033
62 H TYR 10 H TYR 10 15.130 -2.358 3.139
63 HA TYR 10 HA TYR 10 16.120 0.003 1.684
64 HB2 TYR 10 HB3 TYR 10 17.540 -1.988 3.446
65 HB3 TYR 10 HB2 TYR 10 18.410 -0.917 2.354
66 HD1 TYR 10 HD1 TYR 10 15.640 -0.595 4.854
67 HD2 TYR 10 HD2 TYR 10 19.313 0.946 3.356
68 HE1 TYR 10 HE1 TYR 10 15.590 1.172 6.562
69 HE2 TYR 10 HE2 TYR 10 19.272 2.717 5.062
70 HH TYR 10 HH TYR 10 16.536 3.456 6.880
71 HN1 NH2 11 HN1 NH2 11 17.379 -0.297 -0.260
72 HN2 NH2 11 HN2 NH2 11 17.349 -1.819 -1.121
73 H1 ASP 1 H1 ASP 1 1.629 -6.238 0.833
74 H2 ASP 1 H2 ASP 1 1.214 -7.782 0.209
75 H3 ASP 1 H3 ASP 1 0.897 -7.404 1.853
76 HA ASP 1 HA ASP 1 -1.027 -7.360 0.303
77 HB2 ASP 1 HB3 ASP 1 -0.215 -5.010 2.019
78 HB3 ASP 1 HB2 ASP 1 -1.834 -5.198 1.359
79 H ALA 2 H ALA 2 -2.297 -5.690 -0.928
80 HA ALA 2 HA ALA 2 -0.521 -4.288 -2.819
81 HB1 ALA 2 HB1 ALA 2 -1.538 -5.375 -4.462
82 HB2 ALA 2 HB2 ALA 2 -3.090 -4.703 -3.963
83 HB3 ALA 2 HB3 ALA 2 -2.531 -6.232 -3.283
84 H GLU 3 H GLU 3 -1.893 -2.578 -4.092
85 HA GLU 3 HA GLU 3 -2.387 -0.439 -2.422
86 HB2 GLU 3 HB3 GLU 3 -2.020 -0.447 -4.944
87 HB3 GLU 3 HB2 GLU 3 -3.739 -0.782 -5.091
88 HG2 GLU 3 HG3 GLU 3 -3.609 1.513 -5.345
89 HG3 GLU 3 HG2 GLU 3 -4.066 1.316 -3.654
90 H PHE 4 H PHE 4 -4.663 -2.852 -3.627
91 HA PHE 4 HA PHE 4 -6.983 -1.517 -2.664
92 HB2 PHE 4 HB3 PHE 4 -8.182 -3.534 -3.185
93 HB3 PHE 4 HB2 PHE 4 -6.999 -3.263 -4.459
94 HD1 PHE 4 HD1 PHE 4 -8.079 -5.442 -1.777
95 HD2 PHE 4 HD2 PHE 4 -4.989 -4.674 -4.598
96 HE1 PHE 4 HE1 PHE 4 -7.212 -7.717 -1.440
97 HE2 PHE 4 HE2 PHE 4 -4.114 -6.950 -4.266
98 HZ PHE 4 HZ PHE 4 -5.227 -8.475 -2.684
99 H ARG 5 H ARG 5 -4.668 -3.712 -1.270
100 HA ARG 5 HA ARG 5 -6.227 -4.374 1.043
101 HB2 ARG 5 HB3 ARG 5 -3.285 -4.604 0.420
102 HB3 ARG 5 HB2 ARG 5 -3.985 -5.143 1.938
103 HG2 ARG 5 HG3 ARG 5 -4.734 -6.171 -0.785
104 HG3 ARG 5 HG2 ARG 5 -3.641 -6.970 0.343
105 HD2 ARG 5 HD3 ARG 5 -5.602 -6.854 2.002
106 HD3 ARG 5 HD2 ARG 5 -6.598 -6.521 0.586
107 HE ARG 5 HE ARG 5 -6.439 -8.725 0.012
108 HH11 ARG 5 HH11 ARG 5 -3.909 -7.991 2.301
109 HH12 ARG 5 HH12 ARG 5 -3.401 -9.639 2.457
110 HH21 ARG 5 HH21 ARG 5 -5.773 -10.892 0.216
111 HH22 ARG 5 HH22 ARG 5 -4.458 -11.287 1.274
112 H HIS 6 H HIS 6 -3.620 -2.116 0.303
113 HA HIS 6 HA HIS 6 -3.391 -1.041 2.923
114 HB2 HIS 6 HB3 HIS 6 -2.664 0.331 0.332
115 HB3 HIS 6 HB2 HIS 6 -1.996 0.649 1.929
116 HD1 HIS 6 HD1 HIS 6 -0.779 -1.750 2.943
117 HD2 HIS 6 HD2 HIS 6 -1.021 -1.115 -1.156
118 HE1 HIS 6 HE1 HIS 6 0.985 -3.230 1.884
119 H HIS 7 H HIS 7 -5.197 -0.114 0.047
120 HA HIS 7 HA HIS 7 -6.343 2.193 1.406
121 HB2 HIS 7 HB3 HIS 7 -6.693 1.142 -1.410
122 HB3 HIS 7 HB2 HIS 7 -7.445 2.610 -0.791
123 HD1 HIS 7 HD1 HIS 7 -6.164 4.677 -1.332
124 HD2 HIS 7 HD2 HIS 7 -3.704 1.333 -1.107
125 HE1 HIS 7 HE1 HIS 7 -3.835 5.465 -1.925
126 H SER 8 H SER 8 -8.422 2.355 2.086
127 HA SER 8 HA SER 8 -10.006 -0.119 2.032
128 HB2 SER 8 HB3 SER 8 -9.528 0.566 4.281
129 HB3 SER 8 HB2 SER 8 -10.021 2.225 3.941
130 HG SER 8 HG SER 8 -11.674 -0.078 4.025
131 H GLY 9 H GLY 9 -12.057 -0.159 1.245
132 HA2 GLY 9 HA3 GLY 9 -12.861 2.117 -0.374
133 HA3 GLY 9 HA2 GLY 9 -13.598 0.524 -0.376
134 H TYR 10 H TYR 10 -15.474 2.183 -0.467
135 HA TYR 10 HA TYR 10 -16.223 3.500 1.935
136 HB2 TYR 10 HB3 TYR 10 -17.665 2.786 -0.602
137 HB3 TYR 10 HB2 TYR 10 -18.540 3.472 0.764
138 HD1 TYR 10 HD1 TYR 10 -15.597 4.117 -1.433
139 HD2 TYR 10 HD2 TYR 10 -18.658 5.782 1.008
140 HE1 TYR 10 HE1 TYR 10 -14.938 6.374 -2.155
141 HE2 TYR 10 HE2 TYR 10 -18.008 8.043 0.292
142 HH TYR 10 HH TYR 10 -15.831 8.593 -2.308
143 HN1 NH2 11 HN1 NH2 11 -17.135 2.670 3.784
144 HN2 NH2 11 HN2 NH2 11 -17.903 1.102 3.890
Start of MODEL 16
1 H1 ASP 1 H1 ASP 1 -1.593 6.437 -1.025
2 H2 ASP 1 H2 ASP 1 -0.774 7.483 -2.112
3 H3 ASP 1 H3 ASP 1 -0.781 7.825 -0.431
4 HA ASP 1 HA ASP 1 1.308 6.931 -1.122
5 HB2 ASP 1 HB3 ASP 1 -0.451 5.197 0.622
6 HB3 ASP 1 HB2 ASP 1 1.296 4.999 0.514
7 H ALA 2 H ALA 2 2.524 5.158 -1.928
8 HA ALA 2 HA ALA 2 0.978 3.353 -3.676
9 HB1 ALA 2 HB1 ALA 2 2.302 3.848 -5.406
10 HB2 ALA 2 HB2 ALA 2 3.766 3.741 -4.428
11 HB3 ALA 2 HB3 ALA 2 2.828 5.234 -4.453
12 H GLU 3 H GLU 3 2.532 1.442 -4.363
13 HA GLU 3 HA GLU 3 2.814 -0.236 -2.177
14 HB2 GLU 3 HB3 GLU 3 2.758 -0.799 -4.688
15 HB3 GLU 3 HB2 GLU 3 4.495 -0.526 -4.657
16 HG2 GLU 3 HG3 GLU 3 4.219 -2.836 -4.412
17 HG3 GLU 3 HG2 GLU 3 4.589 -2.239 -2.795
18 H PHE 4 H PHE 4 5.060 2.079 -3.500
19 HA PHE 4 HA PHE 4 7.329 1.059 -2.058
20 HB2 PHE 4 HB3 PHE 4 8.503 3.027 -2.885
21 HB3 PHE 4 HB2 PHE 4 7.597 2.271 -4.192
22 HD1 PHE 4 HD1 PHE 4 7.448 5.037 -1.721
23 HD2 PHE 4 HD2 PHE 4 6.096 3.515 -5.458
24 HE1 PHE 4 HE1 PHE 4 6.360 7.191 -2.200
25 HE2 PHE 4 HE2 PHE 4 5.005 5.666 -5.944
26 HZ PHE 4 HZ PHE 4 5.137 7.509 -4.314
27 H ARG 5 H ARG 5 4.771 3.319 -1.450
28 HA ARG 5 HA ARG 5 6.115 4.585 0.771
29 HB2 ARG 5 HB3 ARG 5 4.547 5.863 -0.610
30 HB3 ARG 5 HB2 ARG 5 3.250 4.763 -0.168
31 HG2 ARG 5 HG3 ARG 5 3.112 6.831 1.090
32 HG3 ARG 5 HG2 ARG 5 3.432 5.462 2.157
33 HD2 ARG 5 HD3 ARG 5 5.751 6.056 2.315
34 HD3 ARG 5 HD2 ARG 5 5.560 7.309 1.090
35 HE ARG 5 HE ARG 5 3.821 8.073 3.005
36 HH11 ARG 5 HH11 ARG 5 7.194 7.183 3.095
37 HH12 ARG 5 HH12 ARG 5 7.559 8.216 4.435
38 HH21 ARG 5 HH21 ARG 5 4.299 9.434 4.766
39 HH22 ARG 5 HH22 ARG 5 5.916 9.494 5.384
40 H HIS 6 H HIS 6 3.590 2.167 0.287
41 HA HIS 6 HA HIS 6 2.883 1.915 3.028
42 HB2 HIS 6 HB3 HIS 6 2.593 -0.155 0.844
43 HB3 HIS 6 HB2 HIS 6 1.706 -0.100 2.363
44 HD1 HIS 6 HD1 HIS 6 0.283 2.362 2.567
45 HD2 HIS 6 HD2 HIS 6 1.180 0.807 -1.179
46 HE1 HIS 6 HE1 HIS 6 -1.333 3.439 0.948
47 H HIS 7 H HIS 7 5.131 0.207 0.923
48 HA HIS 7 HA HIS 7 5.995 -1.481 3.141
49 HB2 HIS 7 HB3 HIS 7 6.795 -1.505 0.224
50 HB3 HIS 7 HB2 HIS 7 7.291 -2.687 1.431
51 HD1 HIS 7 HD1 HIS 7 5.686 -4.607 1.888
52 HD2 HIS 7 HD2 HIS 7 3.996 -1.589 -0.418
53 HE1 HIS 7 HE1 HIS 7 3.466 -5.494 1.064
54 H SER 8 H SER 8 7.311 -0.386 4.474
55 HA SER 8 HA SER 8 9.898 0.417 3.473
56 HB2 SER 8 HB3 SER 8 8.518 2.467 3.175
57 HB3 SER 8 HB2 SER 8 8.165 2.449 4.903
58 HG SER 8 HG SER 8 10.018 3.781 4.058
59 H GLY 9 H GLY 9 11.487 0.346 5.039
60 HA2 GLY 9 HA3 GLY 9 10.662 -0.035 7.825
61 HA3 GLY 9 HA2 GLY 9 11.566 -1.329 7.054
62 H TYR 10 H TYR 10 12.461 -0.023 9.345
63 HA TYR 10 HA TYR 10 14.485 1.888 8.500
64 HB2 TYR 10 HB3 TYR 10 13.677 0.815 11.205
65 HB3 TYR 10 HB2 TYR 10 15.037 1.910 10.973
66 HD1 TYR 10 HD1 TYR 10 11.391 1.592 10.952
67 HD2 TYR 10 HD2 TYR 10 14.671 4.241 10.388
68 HE1 TYR 10 HE1 TYR 10 9.857 3.510 11.083
69 HE2 TYR 10 HE2 TYR 10 13.147 6.167 10.518
70 HH TYR 10 HH TYR 10 10.505 6.340 11.789
71 HN1 NH2 11 HN1 NH2 11 14.208 -1.536 9.081
72 HN2 NH2 11 HN2 NH2 11 15.921 -1.891 9.065
73 H1 ASP 1 H1 ASP 1 1.478 -6.400 1.284
74 H2 ASP 1 H2 ASP 1 1.246 -7.489 -0.023
75 H3 ASP 1 H3 ASP 1 0.674 -7.892 1.544
76 HA ASP 1 HA ASP 1 -1.183 -7.246 0.392
77 HB2 ASP 1 HB3 ASP 1 -0.059 -4.962 2.023
78 HB3 ASP 1 HB2 ASP 1 -1.735 -5.045 1.491
79 H ALA 2 H ALA 2 -2.321 -5.707 -0.967
80 HA ALA 2 HA ALA 2 -0.494 -4.294 -2.801
81 HB1 ALA 2 HB1 ALA 2 -2.439 -6.274 -3.321
82 HB2 ALA 2 HB2 ALA 2 -1.452 -5.381 -4.479
83 HB3 ALA 2 HB3 ALA 2 -3.034 -4.762 -4.006
84 H GLU 3 H GLU 3 -1.891 -2.638 -4.157
85 HA GLU 3 HA GLU 3 -2.438 -0.471 -2.542
86 HB2 GLU 3 HB3 GLU 3 -2.064 -0.563 -5.078
87 HB3 GLU 3 HB2 GLU 3 -3.788 -0.881 -5.202
88 HG2 GLU 3 HG3 GLU 3 -3.555 1.421 -5.535
89 HG3 GLU 3 HG2 GLU 3 -4.132 1.251 -3.878
90 H PHE 4 H PHE 4 -4.600 -3.032 -3.589
91 HA PHE 4 HA PHE 4 -6.974 -1.711 -2.691
92 HB2 PHE 4 HB3 PHE 4 -8.080 -3.890 -3.047
93 HB3 PHE 4 HB2 PHE 4 -7.140 -3.381 -4.444
94 HD1 PHE 4 HD1 PHE 4 -7.388 -5.779 -1.694
95 HD2 PHE 4 HD2 PHE 4 -5.172 -4.586 -5.124
96 HE1 PHE 4 HE1 PHE 4 -6.225 -7.946 -1.693
97 HE2 PHE 4 HE2 PHE 4 -4.003 -6.751 -5.127
98 HZ PHE 4 HZ PHE 4 -4.530 -8.436 -3.410
99 H ARG 5 H ARG 5 -4.576 -3.763 -1.235
100 HA ARG 5 HA ARG 5 -6.152 -4.449 1.069
101 HB2 ARG 5 HB3 ARG 5 -3.203 -4.621 0.472
102 HB3 ARG 5 HB2 ARG 5 -3.890 -5.117 2.013
103 HG2 ARG 5 HG3 ARG 5 -4.551 -6.270 -0.679
104 HG3 ARG 5 HG2 ARG 5 -3.538 -7.017 0.554
105 HD2 ARG 5 HD3 ARG 5 -5.558 -6.849 2.091
106 HD3 ARG 5 HD2 ARG 5 -6.495 -6.484 0.645
107 HE ARG 5 HE ARG 5 -6.409 -8.696 0.085
108 HH11 ARG 5 HH11 ARG 5 -3.924 -8.054 2.449
109 HH12 ARG 5 HH12 ARG 5 -3.501 -9.722 2.639
110 HH21 ARG 5 HH21 ARG 5 -5.854 -10.889 0.333
111 HH22 ARG 5 HH22 ARG 5 -4.595 -11.331 1.437
112 H HIS 6 H HIS 6 -3.617 -2.122 0.317
113 HA HIS 6 HA HIS 6 -3.457 -0.995 2.920
114 HB2 HIS 6 HB3 HIS 6 -2.739 0.361 0.320
115 HB3 HIS 6 HB2 HIS 6 -2.098 0.715 1.920
116 HD1 HIS 6 HD1 HIS 6 -0.756 -1.545 2.985
117 HD2 HIS 6 HD2 HIS 6 -1.121 -1.158 -1.134
118 HE1 HIS 6 HE1 HIS 6 1.026 -3.031 1.969
119 H HIS 7 H HIS 7 -5.261 -0.177 0.010
120 HA HIS 7 HA HIS 7 -6.561 2.048 1.400
121 HB2 HIS 7 HB3 HIS 7 -6.685 1.196 -1.501
122 HB3 HIS 7 HB2 HIS 7 -7.469 2.621 -0.827
123 HD1 HIS 7 HD1 HIS 7 -6.100 4.731 -0.827
124 HD2 HIS 7 HD2 HIS 7 -3.773 1.323 -1.320
125 HE1 HIS 7 HE1 HIS 7 -3.752 5.536 -1.308
126 H SER 8 H SER 8 -8.668 2.032 1.984
127 HA SER 8 HA SER 8 -10.109 -0.496 1.636
128 HB2 SER 8 HB3 SER 8 -9.828 0.269 3.945
129 HB3 SER 8 HB2 SER 8 -10.611 1.797 3.549
130 HG SER 8 HG SER 8 -12.510 0.618 3.083
131 H GLY 9 H GLY 9 -11.646 -0.623 0.151
132 HA2 GLY 9 HA3 GLY 9 -13.562 1.487 -0.223
133 HA3 GLY 9 HA2 GLY 9 -12.461 1.320 -1.583
134 H TYR 10 H TYR 10 -15.341 0.273 -0.226
135 HA TYR 10 HA TYR 10 -15.448 -1.998 -2.100
136 HB2 TYR 10 HB3 TYR 10 -16.920 -3.169 -0.531
137 HB3 TYR 10 HB2 TYR 10 -15.366 -2.812 0.216
138 HD1 TYR 10 HD1 TYR 10 -15.196 -1.026 1.920
139 HD2 TYR 10 HD2 TYR 10 -18.947 -2.221 0.309
140 HE1 TYR 10 HE1 TYR 10 -16.345 0.079 3.792
141 HE2 TYR 10 HE2 TYR 10 -20.107 -1.118 2.176
142 HH TYR 10 HH TYR 10 -19.625 -0.415 4.486
143 HN1 NH2 11 HN1 NH2 11 -17.690 0.072 -0.124
144 HN2 NH2 11 HN2 NH2 11 -18.825 0.336 -1.429
Start of MODEL 17
1 H1 ASP 1 H1 ASP 1 -0.797 7.563 -1.910
2 H2 ASP 1 H2 ASP 1 -0.626 8.011 -0.261
3 H3 ASP 1 H3 ASP 1 -1.506 6.598 -0.683
4 HA ASP 1 HA ASP 1 1.379 7.062 -1.046
5 HB2 ASP 1 HB3 ASP 1 -0.261 5.357 0.839
6 HB3 ASP 1 HB2 ASP 1 1.474 5.148 0.608
7 H ALA 2 H ALA 2 2.528 5.209 -1.833
8 HA ALA 2 HA ALA 2 0.865 3.407 -3.471
9 HB1 ALA 2 HB1 ALA 2 3.525 3.640 -4.509
10 HB2 ALA 2 HB2 ALA 2 2.816 5.243 -4.322
11 HB3 ALA 2 HB3 ALA 2 1.988 4.021 -5.285
12 H GLU 3 H GLU 3 2.318 1.457 -4.204
13 HA GLU 3 HA GLU 3 2.725 -0.206 -2.059
14 HB2 GLU 3 HB3 GLU 3 2.607 -0.782 -4.545
15 HB3 GLU 3 HB2 GLU 3 4.329 -0.433 -4.599
16 HG2 GLU 3 HG3 GLU 3 4.226 -2.736 -4.337
17 HG3 GLU 3 HG2 GLU 3 4.548 -2.139 -2.709
18 H PHE 4 H PHE 4 5.050 1.942 -3.602
19 HA PHE 4 HA PHE 4 7.314 0.997 -2.168
20 HB2 PHE 4 HB3 PHE 4 8.460 2.954 -3.028
21 HB3 PHE 4 HB2 PHE 4 7.476 2.245 -4.304
22 HD1 PHE 4 HD1 PHE 4 7.744 5.043 -1.929
23 HD2 PHE 4 HD2 PHE 4 5.684 3.448 -5.292
24 HE1 PHE 4 HE1 PHE 4 6.667 7.225 -2.298
25 HE2 PHE 4 HE2 PHE 4 4.601 5.625 -5.667
26 HZ PHE 4 HZ PHE 4 5.092 7.517 -4.170
27 H ARG 5 H ARG 5 4.876 3.435 -1.559
28 HA ARG 5 HA ARG 5 6.262 4.619 0.656
29 HB2 ARG 5 HB3 ARG 5 4.634 5.881 -0.700
30 HB3 ARG 5 HB2 ARG 5 3.354 4.814 -0.140
31 HG2 ARG 5 HG3 ARG 5 3.332 6.918 1.064
32 HG3 ARG 5 HG2 ARG 5 3.705 5.576 2.146
33 HD2 ARG 5 HD3 ARG 5 6.085 6.125 2.000
34 HD3 ARG 5 HD2 ARG 5 5.709 7.466 0.918
35 HE ARG 5 HE ARG 5 5.403 7.402 3.779
36 HH11 ARG 5 HH11 ARG 5 4.366 8.925 0.814
37 HH12 ARG 5 HH12 ARG 5 3.867 10.387 1.593
38 HH21 ARG 5 HH21 ARG 5 4.747 9.328 4.804
39 HH22 ARG 5 HH22 ARG 5 4.084 10.617 3.858
40 H HIS 6 H HIS 6 3.695 2.236 0.249
41 HA HIS 6 HA HIS 6 3.079 1.960 3.007
42 HB2 HIS 6 HB3 HIS 6 2.738 -0.113 0.834
43 HB3 HIS 6 HB2 HIS 6 1.870 -0.034 2.364
44 HD1 HIS 6 HD1 HIS 6 0.520 2.507 2.534
45 HD2 HIS 6 HD2 HIS 6 1.247 0.762 -1.163
46 HE1 HIS 6 HE1 HIS 6 -1.119 3.554 0.919
47 H HIS 7 H HIS 7 5.142 0.142 0.790
48 HA HIS 7 HA HIS 7 6.167 -1.468 2.998
49 HB2 HIS 7 HB3 HIS 7 6.734 -1.612 0.031
50 HB3 HIS 7 HB2 HIS 7 7.312 -2.755 1.238
51 HD1 HIS 7 HD1 HIS 7 5.675 -4.578 1.999
52 HD2 HIS 7 HD2 HIS 7 3.955 -1.743 -0.507
53 HE1 HIS 7 HE1 HIS 7 3.419 -5.498 1.319
54 H SER 8 H SER 8 8.230 -1.390 3.750
55 HA SER 8 HA SER 8 9.873 0.861 2.812
56 HB2 SER 8 HB3 SER 8 9.508 -0.452 5.475
57 HB3 SER 8 HB2 SER 8 11.056 0.310 5.114
58 HG SER 8 HG SER 8 8.592 1.648 4.746
59 H GLY 9 H GLY 9 11.533 0.341 1.554
60 HA2 GLY 9 HA3 GLY 9 13.482 -0.721 0.888
61 HA3 GLY 9 HA2 GLY 9 13.319 -1.803 2.264
62 H TYR 10 H TYR 10 13.976 -3.509 0.810
63 HA TYR 10 HA TYR 10 12.424 -4.205 -1.467
64 HB2 TYR 10 HB3 TYR 10 14.356 -5.838 0.193
65 HB3 TYR 10 HB2 TYR 10 13.649 -6.380 -1.325
66 HD1 TYR 10 HD1 TYR 10 16.098 -4.165 0.231
67 HD2 TYR 10 HD2 TYR 10 14.322 -5.360 -3.445
68 HE1 TYR 10 HE1 TYR 10 17.921 -3.065 -1.000
69 HE2 TYR 10 HE2 TYR 10 16.139 -4.265 -4.687
70 HH TYR 10 HH TYR 10 18.940 -3.540 -3.590
71 HN1 NH2 11 HN1 NH2 11 12.386 -5.285 1.966
72 HN2 NH2 11 HN2 NH2 11 10.888 -6.179 1.832
73 H1 ASP 1 H1 ASP 1 1.460 -7.125 0.407
74 H2 ASP 1 H2 ASP 1 0.681 -7.680 1.831
75 H3 ASP 1 H3 ASP 1 1.085 -6.021 1.663
76 HA ASP 1 HA ASP 1 -0.951 -7.572 0.224
77 HB2 ASP 1 HB3 ASP 1 -1.349 -4.919 1.551
78 HB3 ASP 1 HB2 ASP 1 -2.481 -6.250 1.346
79 H ALA 2 H ALA 2 -2.361 -5.844 -1.024
80 HA ALA 2 HA ALA 2 -0.496 -4.360 -2.759
81 HB1 ALA 2 HB1 ALA 2 -1.429 -5.362 -4.503
82 HB2 ALA 2 HB2 ALA 2 -3.026 -4.798 -4.015
83 HB3 ALA 2 HB3 ALA 2 -2.404 -6.327 -3.394
84 H GLU 3 H GLU 3 -1.813 -2.643 -4.082
85 HA GLU 3 HA GLU 3 -2.410 -0.530 -2.412
86 HB2 GLU 3 HB3 GLU 3 -1.887 -0.456 -4.883
87 HB3 GLU 3 HB2 GLU 3 -3.568 -0.879 -5.176
88 HG2 GLU 3 HG3 GLU 3 -3.674 1.387 -5.360
89 HG3 GLU 3 HG2 GLU 3 -4.031 1.195 -3.645
90 H PHE 4 H PHE 4 -4.582 -2.981 -3.710
91 HA PHE 4 HA PHE 4 -6.975 -1.662 -2.928
92 HB2 PHE 4 HB3 PHE 4 -8.098 -3.774 -3.380
93 HB3 PHE 4 HB2 PHE 4 -6.945 -3.419 -4.662
94 HD1 PHE 4 HD1 PHE 4 -7.724 -5.599 -1.831
95 HD2 PHE 4 HD2 PHE 4 -4.978 -4.773 -4.973
96 HE1 PHE 4 HE1 PHE 4 -6.707 -7.817 -1.519
97 HE2 PHE 4 HE2 PHE 4 -3.953 -6.988 -4.666
98 HZ PHE 4 HZ PHE 4 -4.819 -8.514 -2.938
99 H ARG 5 H ARG 5 -4.771 -3.876 -1.348
100 HA ARG 5 HA ARG 5 -6.490 -4.388 0.889
101 HB2 ARG 5 HB3 ARG 5 -3.535 -4.809 0.449
102 HB3 ARG 5 HB2 ARG 5 -4.354 -5.245 1.943
103 HG2 ARG 5 HG3 ARG 5 -5.921 -6.446 0.065
104 HG3 ARG 5 HG2 ARG 5 -4.314 -6.589 -0.645
105 HD2 ARG 5 HD3 ARG 5 -3.548 -7.947 1.024
106 HD3 ARG 5 HD2 ARG 5 -4.621 -7.246 2.234
107 HE ARG 5 HE ARG 5 -5.114 -9.559 0.693
108 HH11 ARG 5 HH11 ARG 5 -6.732 -6.731 1.944
109 HH12 ARG 5 HH12 ARG 5 -8.282 -7.497 2.020
110 HH21 ARG 5 HH21 ARG 5 -7.154 -10.569 0.793
111 HH22 ARG 5 HH22 ARG 5 -8.522 -9.677 1.369
112 H HIS 6 H HIS 6 -3.768 -2.244 0.235
113 HA HIS 6 HA HIS 6 -3.597 -1.119 2.830
114 HB2 HIS 6 HB3 HIS 6 -2.853 0.190 0.208
115 HB3 HIS 6 HB2 HIS 6 -2.264 0.635 1.805
116 HD1 HIS 6 HD1 HIS 6 -0.883 -1.532 3.006
117 HD2 HIS 6 HD2 HIS 6 -1.172 -1.346 -1.132
118 HE1 HIS 6 HE1 HIS 6 0.977 -2.994 2.094
119 H HIS 7 H HIS 7 -5.370 -0.252 -0.077
120 HA HIS 7 HA HIS 7 -6.681 1.951 1.348
121 HB2 HIS 7 HB3 HIS 7 -6.690 1.251 -1.596
122 HB3 HIS 7 HB2 HIS 7 -7.459 2.663 -0.879
123 HD1 HIS 7 HD1 HIS 7 -6.051 4.733 -0.840
124 HD2 HIS 7 HD2 HIS 7 -3.763 1.277 -1.182
125 HE1 HIS 7 HE1 HIS 7 -3.661 5.491 -1.165
126 H SER 8 H SER 8 -8.251 0.985 2.564
127 HA SER 8 HA SER 8 -10.486 -0.160 1.087
128 HB2 SER 8 HB3 SER 8 -9.096 -1.581 3.368
129 HB3 SER 8 HB2 SER 8 -10.696 -2.020 2.768
130 HG SER 8 HG SER 8 -9.811 -2.941 1.094
131 H GLY 9 H GLY 9 -12.482 -0.193 2.318
132 HA2 GLY 9 HA3 GLY 9 -13.378 0.374 4.632
133 HA3 GLY 9 HA2 GLY 9 -12.453 1.856 4.444
134 H TYR 10 H TYR 10 -15.050 -0.042 2.943
135 HA TYR 10 HA TYR 10 -16.003 2.006 1.262
136 HB2 TYR 10 HB3 TYR 10 -18.049 0.652 1.088
137 HB3 TYR 10 HB2 TYR 10 -16.603 -0.340 0.923
138 HD1 TYR 10 HD1 TYR 10 -15.995 -1.951 2.639
139 HD2 TYR 10 HD2 TYR 10 -19.487 0.446 3.035
140 HE1 TYR 10 HE1 TYR 10 -16.798 -3.430 4.433
141 HE2 TYR 10 HE2 TYR 10 -20.300 -1.025 4.831
142 HH TYR 10 HH TYR 10 -19.431 -3.934 5.361
143 HN1 NH2 11 HN1 NH2 11 -16.352 1.489 4.707
144 HN2 NH2 11 HN2 NH2 11 -17.534 2.749 4.981
Start of MODEL 18
1 H1 ASP 1 H1 ASP 1 -0.894 7.810 -0.412
2 H2 ASP 1 H2 ASP 1 -1.625 6.274 -0.653
3 H3 ASP 1 H3 ASP 1 -1.139 7.218 -2.002
4 HA ASP 1 HA ASP 1 1.150 7.057 -1.239
5 HB2 ASP 1 HB3 ASP 1 -0.144 5.165 0.737
6 HB3 ASP 1 HB2 ASP 1 1.593 5.255 0.454
7 H ALA 2 H ALA 2 2.481 5.203 -1.911
8 HA ALA 2 HA ALA 2 0.946 3.321 -3.586
9 HB1 ALA 2 HB1 ALA 2 3.695 3.715 -4.427
10 HB2 ALA 2 HB2 ALA 2 2.773 5.219 -4.429
11 HB3 ALA 2 HB3 ALA 2 2.200 3.832 -5.355
12 H GLU 3 H GLU 3 2.512 1.418 -4.247
13 HA GLU 3 HA GLU 3 2.864 -0.198 -2.035
14 HB2 GLU 3 HB3 GLU 3 2.835 -0.766 -4.573
15 HB3 GLU 3 HB2 GLU 3 4.576 -0.545 -4.474
16 HG2 GLU 3 HG3 GLU 3 4.210 -2.845 -4.215
17 HG3 GLU 3 HG2 GLU 3 4.553 -2.235 -2.597
18 H PHE 4 H PHE 4 5.152 1.989 -3.563
19 HA PHE 4 HA PHE 4 7.431 1.098 -2.112
20 HB2 PHE 4 HB3 PHE 4 8.509 3.133 -2.927
21 HB3 PHE 4 HB2 PHE 4 7.613 2.355 -4.227
22 HD1 PHE 4 HD1 PHE 4 7.386 5.078 -1.715
23 HD2 PHE 4 HD2 PHE 4 6.032 3.545 -5.447
24 HE1 PHE 4 HE1 PHE 4 6.190 7.185 -2.142
25 HE2 PHE 4 HE2 PHE 4 4.833 5.649 -5.879
26 HZ PHE 4 HZ PHE 4 4.910 7.472 -4.225
27 H ARG 5 H ARG 5 4.913 3.452 -1.529
28 HA ARG 5 HA ARG 5 6.212 4.651 0.732
29 HB2 ARG 5 HB3 ARG 5 4.623 5.926 -0.618
30 HB3 ARG 5 HB2 ARG 5 3.344 4.794 -0.204
31 HG2 ARG 5 HG3 ARG 5 3.010 5.703 1.828
32 HG3 ARG 5 HG2 ARG 5 4.723 6.048 2.073
33 HD2 ARG 5 HD3 ARG 5 3.089 7.591 0.087
34 HD3 ARG 5 HD2 ARG 5 3.102 8.026 1.795
35 HE ARG 5 HE ARG 5 5.749 7.784 0.905
36 HH11 ARG 5 HH11 ARG 5 2.973 9.854 0.475
37 HH12 ARG 5 HH12 ARG 5 3.920 11.261 0.127
38 HH21 ARG 5 HH21 ARG 5 6.995 9.633 0.447
39 HH22 ARG 5 HH22 ARG 5 6.203 11.135 0.110
40 H HIS 6 H HIS 6 3.715 2.211 0.229
41 HA HIS 6 HA HIS 6 3.044 1.885 2.972
42 HB2 HIS 6 HB3 HIS 6 2.769 -0.129 0.733
43 HB3 HIS 6 HB2 HIS 6 1.906 -0.146 2.266
44 HD1 HIS 6 HD1 HIS 6 0.503 2.367 2.550
45 HD2 HIS 6 HD2 HIS 6 1.218 0.761 -1.212
46 HE1 HIS 6 HE1 HIS 6 -1.189 3.422 0.994
47 H HIS 7 H HIS 7 5.220 0.184 0.775
48 HA HIS 7 HA HIS 7 6.236 -1.427 2.996
49 HB2 HIS 7 HB3 HIS 7 6.818 -1.633 0.036
50 HB3 HIS 7 HB2 HIS 7 7.332 -2.773 1.275
51 HD1 HIS 7 HD1 HIS 7 5.662 -4.577 1.952
52 HD2 HIS 7 HD2 HIS 7 4.006 -1.654 -0.497
53 HE1 HIS 7 HE1 HIS 7 3.388 -5.433 1.252
54 H SER 8 H SER 8 8.298 -1.306 3.739
55 HA SER 8 HA SER 8 10.053 0.722 2.520
56 HB2 SER 8 HB3 SER 8 9.176 0.380 5.330
57 HB3 SER 8 HB2 SER 8 10.884 0.747 5.094
58 HG SER 8 HG SER 8 8.660 2.247 4.172
59 H GLY 9 H GLY 9 11.461 -0.562 1.440
60 HA2 GLY 9 HA3 GLY 9 13.393 -1.828 1.262
61 HA3 GLY 9 HA2 GLY 9 13.343 -2.084 3.001
62 H TYR 10 H TYR 10 14.089 -4.259 2.060
63 HA TYR 10 HA TYR 10 12.187 -5.940 0.799
64 HB2 TYR 10 HB3 TYR 10 14.716 -6.525 2.337
65 HB3 TYR 10 HB2 TYR 10 13.743 -7.788 1.590
66 HD1 TYR 10 HD1 TYR 10 16.009 -4.978 0.983
67 HD2 TYR 10 HD2 TYR 10 13.655 -8.023 -0.830
68 HE1 TYR 10 HE1 TYR 10 17.189 -4.615 -1.144
69 HE2 TYR 10 HE2 TYR 10 14.828 -7.670 -2.962
70 HH TYR 10 HH TYR 10 17.365 -6.634 -3.517
71 HN1 NH2 11 HN1 NH2 11 10.475 -7.092 1.645
72 HN2 NH2 11 HN2 NH2 11 10.205 -7.336 3.355
73 H1 ASP 1 H1 ASP 1 0.823 -7.400 1.859
74 H2 ASP 1 H2 ASP 1 1.250 -5.763 1.570
75 H3 ASP 1 H3 ASP 1 1.518 -6.949 0.359
76 HA ASP 1 HA ASP 1 -0.909 -7.338 0.353
77 HB2 ASP 1 HB3 ASP 1 -1.185 -4.605 1.529
78 HB3 ASP 1 HB2 ASP 1 -2.332 -5.939 1.516
79 H ALA 2 H ALA 2 -2.350 -5.649 -0.919
80 HA ALA 2 HA ALA 2 -0.552 -4.254 -2.792
81 HB1 ALA 2 HB1 ALA 2 -2.530 -6.245 -3.260
82 HB2 ALA 2 HB2 ALA 2 -1.476 -5.440 -4.421
83 HB3 ALA 2 HB3 ALA 2 -3.049 -4.746 -4.030
84 H GLU 3 H GLU 3 -1.888 -2.574 -4.124
85 HA GLU 3 HA GLU 3 -2.504 -0.438 -2.498
86 HB2 GLU 3 HB3 GLU 3 -2.065 -0.512 -5.034
87 HB3 GLU 3 HB2 GLU 3 -3.794 -0.792 -5.191
88 HG2 GLU 3 HG3 GLU 3 -3.512 1.508 -5.482
89 HG3 GLU 3 HG2 GLU 3 -4.114 1.325 -3.834
90 H PHE 4 H PHE 4 -4.671 -2.905 -3.782
91 HA PHE 4 HA PHE 4 -7.065 -1.641 -2.916
92 HB2 PHE 4 HB3 PHE 4 -8.168 -3.722 -3.454
93 HB3 PHE 4 HB2 PHE 4 -6.983 -3.368 -4.705
94 HD1 PHE 4 HD1 PHE 4 -7.885 -5.593 -1.960
95 HD2 PHE 4 HD2 PHE 4 -4.981 -4.713 -4.941
96 HE1 PHE 4 HE1 PHE 4 -6.894 -7.823 -1.646
97 HE2 PHE 4 HE2 PHE 4 -3.983 -6.940 -4.634
98 HZ PHE 4 HZ PHE 4 -4.941 -8.499 -2.985
99 H ARG 5 H ARG 5 -4.755 -3.783 -1.423
100 HA ARG 5 HA ARG 5 -6.434 -4.434 0.816
101 HB2 ARG 5 HB3 ARG 5 -3.456 -4.755 0.419
102 HB3 ARG 5 HB2 ARG 5 -4.369 -5.415 1.771
103 HG2 ARG 5 HG3 ARG 5 -5.752 -6.651 0.063
104 HG3 ARG 5 HG2 ARG 5 -4.543 -6.174 -1.128
105 HD2 ARG 5 HD3 ARG 5 -3.997 -8.367 -0.369
106 HD3 ARG 5 HD2 ARG 5 -2.819 -7.256 0.319
107 HE ARG 5 HE ARG 5 -4.659 -7.420 2.271
108 HH11 ARG 5 HH11 ARG 5 -2.982 -9.861 0.425
109 HH12 ARG 5 HH12 ARG 5 -3.042 -11.038 1.692
110 HH21 ARG 5 HH21 ARG 5 -4.741 -8.968 3.938
111 HH22 ARG 5 HH22 ARG 5 -4.040 -10.532 3.687
112 H HIS 6 H HIS 6 -3.812 -2.160 0.169
113 HA HIS 6 HA HIS 6 -3.643 -1.158 2.833
114 HB2 HIS 6 HB3 HIS 6 -2.869 0.246 0.270
115 HB3 HIS 6 HB2 HIS 6 -2.310 0.640 1.890
116 HD1 HIS 6 HD1 HIS 6 -0.863 -1.471 3.039
117 HD2 HIS 6 HD2 HIS 6 -1.216 -1.309 -1.096
118 HE1 HIS 6 HE1 HIS 6 1.012 -2.898 2.107
119 H HIS 7 H HIS 7 -5.384 -0.203 -0.066
120 HA HIS 7 HA HIS 7 -6.688 1.984 1.378
121 HB2 HIS 7 HB3 HIS 7 -6.780 1.256 -1.557
122 HB3 HIS 7 HB2 HIS 7 -7.499 2.688 -0.831
123 HD1 HIS 7 HD1 HIS 7 -6.062 4.729 -0.931
124 HD2 HIS 7 HD2 HIS 7 -3.832 1.227 -1.162
125 HE1 HIS 7 HE1 HIS 7 -3.665 5.435 -1.318
126 H SER 8 H SER 8 -8.599 1.650 2.289
127 HA SER 8 HA SER 8 -10.278 -0.546 1.275
128 HB2 SER 8 HB3 SER 8 -11.328 -0.549 3.520
129 HB3 SER 8 HB2 SER 8 -9.592 -0.851 3.601
130 HG SER 8 HG SER 8 -10.836 0.908 4.970
131 H GLY 9 H GLY 9 -12.006 0.040 0.147
132 HA2 GLY 9 HA3 GLY 9 -14.173 1.302 0.451
133 HA3 GLY 9 HA2 GLY 9 -13.150 2.718 0.642
134 H TYR 10 H TYR 10 -14.326 3.653 -1.128
135 HA TYR 10 HA TYR 10 -14.134 2.450 -3.738
136 HB2 TYR 10 HB3 TYR 10 -15.046 5.218 -2.921
137 HB3 TYR 10 HB2 TYR 10 -15.243 4.506 -4.519
138 HD1 TYR 10 HD1 TYR 10 -16.549 4.712 -1.153
139 HD2 TYR 10 HD2 TYR 10 -16.775 2.557 -4.814
140 HE1 TYR 10 HE1 TYR 10 -18.699 3.753 -0.449
141 HE2 TYR 10 HE2 TYR 10 -18.927 1.592 -4.120
142 HH TYR 10 HH TYR 10 -20.019 1.540 -1.064
143 HN1 NH2 11 HN1 NH2 11 -13.274 3.915 -5.640
144 HN2 NH2 11 HN2 NH2 11 -11.713 4.652 -5.354
Start of MODEL 19
1 H1 ASP 1 H1 ASP 1 -0.636 8.071 -0.568
2 H2 ASP 1 H2 ASP 1 -1.531 6.607 -0.618
3 H3 ASP 1 H3 ASP 1 -0.951 7.312 -2.072
4 HA ASP 1 HA ASP 1 1.325 7.059 -1.087
5 HB2 ASP 1 HB3 ASP 1 -0.351 5.287 0.700
6 HB3 ASP 1 HB2 ASP 1 1.395 5.115 0.537
7 H ALA 2 H ALA 2 2.552 5.285 -1.900
8 HA ALA 2 HA ALA 2 1.002 3.503 -3.667
9 HB1 ALA 2 HB1 ALA 2 3.563 3.526 -4.677
10 HB2 ALA 2 HB2 ALA 2 3.325 5.190 -4.146
11 HB3 ALA 2 HB3 ALA 2 2.200 4.461 -5.291
12 H GLU 3 H GLU 3 2.493 1.547 -4.321
13 HA GLU 3 HA GLU 3 2.695 -0.138 -2.142
14 HB2 GLU 3 HB3 GLU 3 2.682 -0.717 -4.635
15 HB3 GLU 3 HB2 GLU 3 4.417 -0.440 -4.595
16 HG2 GLU 3 HG3 GLU 3 4.150 -2.750 -4.349
17 HG3 GLU 3 HG2 GLU 3 4.505 -2.149 -2.729
18 H PHE 4 H PHE 4 5.184 1.904 -3.586
19 HA PHE 4 HA PHE 4 7.318 0.884 -2.007
20 HB2 PHE 4 HB3 PHE 4 8.632 2.672 -2.885
21 HB3 PHE 4 HB2 PHE 4 7.565 2.144 -4.181
22 HD1 PHE 4 HD1 PHE 4 8.355 4.825 -1.834
23 HD2 PHE 4 HD2 PHE 4 5.771 3.569 -4.973
24 HE1 PHE 4 HE1 PHE 4 7.568 7.140 -2.107
25 HE2 PHE 4 HE2 PHE 4 4.982 5.882 -5.253
26 HZ PHE 4 HZ PHE 4 5.879 7.672 -3.818
27 H ARG 5 H ARG 5 4.920 3.377 -1.568
28 HA ARG 5 HA ARG 5 6.185 4.608 0.684
29 HB2 ARG 5 HB3 ARG 5 4.558 5.768 -0.805
30 HB3 ARG 5 HB2 ARG 5 3.289 4.731 -0.168
31 HG2 ARG 5 HG3 ARG 5 3.150 6.807 0.961
32 HG3 ARG 5 HG2 ARG 5 3.805 5.633 2.103
33 HD2 ARG 5 HD3 ARG 5 5.938 6.545 2.008
34 HD3 ARG 5 HD2 ARG 5 5.637 7.332 0.459
35 HE ARG 5 HE ARG 5 3.902 8.534 2.195
36 HH11 ARG 5 HH11 ARG 5 7.359 8.066 2.095
37 HH12 ARG 5 HH12 ARG 5 7.707 9.528 2.953
38 HH21 ARG 5 HH21 ARG 5 4.358 10.458 3.322
39 HH22 ARG 5 HH22 ARG 5 6.003 10.887 3.651
40 H HIS 6 H HIS 6 3.664 2.185 0.220
41 HA HIS 6 HA HIS 6 2.977 1.934 2.970
42 HB2 HIS 6 HB3 HIS 6 2.656 -0.111 0.766
43 HB3 HIS 6 HB2 HIS 6 1.791 -0.082 2.300
44 HD1 HIS 6 HD1 HIS 6 0.418 2.431 2.552
45 HD2 HIS 6 HD2 HIS 6 1.170 0.832 -1.205
46 HE1 HIS 6 HE1 HIS 6 -1.218 3.534 0.970
47 H HIS 7 H HIS 7 5.108 0.129 0.810
48 HA HIS 7 HA HIS 7 6.043 -1.518 3.027
49 HB2 HIS 7 HB3 HIS 7 6.723 -1.595 0.080
50 HB3 HIS 7 HB2 HIS 7 7.281 -2.752 1.283
51 HD1 HIS 7 HD1 HIS 7 5.691 -4.653 1.887
52 HD2 HIS 7 HD2 HIS 7 3.918 -1.722 -0.469
53 HE1 HIS 7 HE1 HIS 7 3.452 -5.577 1.159
54 H SER 8 H SER 8 8.064 -1.440 3.886
55 HA SER 8 HA SER 8 9.792 0.766 2.976
56 HB2 SER 8 HB3 SER 8 8.903 1.150 5.222
57 HB3 SER 8 HB2 SER 8 9.511 -0.420 5.748
58 HG SER 8 HG SER 8 11.046 1.807 4.891
59 H GLY 9 H GLY 9 11.656 0.184 2.088
60 HA2 GLY 9 HA3 GLY 9 12.697 -2.513 2.674
61 HA3 GLY 9 HA2 GLY 9 12.963 -1.645 1.172
62 H TYR 10 H TYR 10 14.677 -2.791 3.502
63 HA TYR 10 HA TYR 10 16.663 -2.311 4.498
64 HB2 TYR 10 HB3 TYR 10 16.652 -0.432 2.157
65 HB3 TYR 10 HB2 TYR 10 17.976 -0.395 3.316
66 HD1 TYR 10 HD1 TYR 10 16.039 -2.958 1.395
67 HD2 TYR 10 HD2 TYR 10 19.841 -1.627 2.765
68 HE1 TYR 10 HE1 TYR 10 17.112 -4.830 0.216
69 HE2 TYR 10 HE2 TYR 10 20.924 -3.495 1.589
70 HH TYR 10 HH TYR 10 19.650 -6.111 0.719
71 HN1 NH2 11 HN1 NH2 11 18.052 -0.216 5.390
72 HN2 NH2 11 HN2 NH2 11 17.049 0.906 6.283
73 H1 ASP 1 H1 ASP 1 0.748 -7.972 1.372
74 H2 ASP 1 H2 ASP 1 1.387 -6.381 1.292
75 H3 ASP 1 H3 ASP 1 1.400 -7.384 -0.100
76 HA ASP 1 HA ASP 1 -1.080 -7.455 0.140
77 HB2 ASP 1 HB3 ASP 1 -0.282 -5.239 2.017
78 HB3 ASP 1 HB2 ASP 1 -1.861 -5.256 1.238
79 H ALA 2 H ALA 2 -2.328 -5.819 -1.108
80 HA ALA 2 HA ALA 2 -0.531 -4.326 -2.902
81 HB1 ALA 2 HB1 ALA 2 -1.522 -5.371 -4.587
82 HB2 ALA 2 HB2 ALA 2 -3.077 -4.696 -4.100
83 HB3 ALA 2 HB3 ALA 2 -2.547 -6.246 -3.449
84 H GLU 3 H GLU 3 -1.837 -2.548 -4.120
85 HA GLU 3 HA GLU 3 -2.375 -0.480 -2.380
86 HB2 GLU 3 HB3 GLU 3 -1.940 -0.375 -4.885
87 HB3 GLU 3 HB2 GLU 3 -3.651 -0.715 -5.100
88 HG2 GLU 3 HG3 GLU 3 -3.594 1.576 -5.238
89 HG3 GLU 3 HG2 GLU 3 -3.996 1.323 -3.540
90 H PHE 4 H PHE 4 -4.610 -2.856 -3.711
91 HA PHE 4 HA PHE 4 -6.966 -1.561 -2.780
92 HB2 PHE 4 HB3 PHE 4 -8.136 -3.572 -3.377
93 HB3 PHE 4 HB2 PHE 4 -6.922 -3.267 -4.614
94 HD1 PHE 4 HD1 PHE 4 -7.980 -5.467 -1.910
95 HD2 PHE 4 HD2 PHE 4 -4.976 -4.706 -4.827
96 HE1 PHE 4 HE1 PHE 4 -7.108 -7.746 -1.600
97 HE2 PHE 4 HE2 PHE 4 -4.097 -6.984 -4.519
98 HZ PHE 4 HZ PHE 4 -5.163 -8.507 -2.904
99 H ARG 5 H ARG 5 -4.659 -3.754 -1.378
100 HA ARG 5 HA ARG 5 -6.267 -4.499 0.874
101 HB2 ARG 5 HB3 ARG 5 -3.294 -4.638 0.372
102 HB3 ARG 5 HB2 ARG 5 -4.070 -5.283 1.811
103 HG2 ARG 5 HG3 ARG 5 -4.734 -6.155 -0.985
104 HG3 ARG 5 HG2 ARG 5 -3.552 -6.960 0.042
105 HD2 ARG 5 HD3 ARG 5 -6.357 -6.497 0.987
106 HD3 ARG 5 HD2 ARG 5 -5.957 -7.884 -0.026
107 HE ARG 5 HE ARG 5 -4.136 -7.883 2.054
108 HH11 ARG 5 HH11 ARG 5 -7.599 -8.134 1.693
109 HH12 ARG 5 HH12 ARG 5 -7.801 -9.114 3.107
110 HH21 ARG 5 HH21 ARG 5 -4.399 -9.174 3.910
111 HH22 ARG 5 HH22 ARG 5 -5.984 -9.704 4.366
112 H HIS 6 H HIS 6 -3.683 -2.173 0.268
113 HA HIS 6 HA HIS 6 -3.594 -1.144 2.921
114 HB2 HIS 6 HB3 HIS 6 -2.736 0.273 0.397
115 HB3 HIS 6 HB2 HIS 6 -2.155 0.564 2.032
116 HD1 HIS 6 HD1 HIS 6 -0.772 -1.618 3.076
117 HD2 HIS 6 HD2 HIS 6 -1.211 -1.361 -1.045
118 HE1 HIS 6 HE1 HIS 6 1.003 -3.125 2.073
119 H HIS 7 H HIS 7 -5.239 -0.187 -0.040
120 HA HIS 7 HA HIS 7 -6.469 2.100 1.274
121 HB2 HIS 7 HB3 HIS 7 -6.644 1.086 -1.570
122 HB3 HIS 7 HB2 HIS 7 -7.439 2.541 -0.980
123 HD1 HIS 7 HD1 HIS 7 -6.141 4.617 -1.436
124 HD2 HIS 7 HD2 HIS 7 -3.680 1.287 -1.070
125 HE1 HIS 7 HE1 HIS 7 -3.785 5.422 -1.876
126 H SER 8 H SER 8 -8.613 2.298 1.741
127 HA SER 8 HA SER 8 -10.094 -0.140 2.095
128 HB2 SER 8 HB3 SER 8 -10.888 2.739 2.607
129 HB3 SER 8 HB2 SER 8 -11.806 1.323 3.119
130 HG SER 8 HG SER 8 -9.850 0.705 4.287
131 H GLY 9 H GLY 9 -12.141 -0.631 1.203
132 HA2 GLY 9 HA3 GLY 9 -13.911 -0.394 -0.323
133 HA3 GLY 9 HA2 GLY 9 -13.080 0.980 -1.040
134 H TYR 10 H TYR 10 -13.154 0.350 -3.153
135 HA TYR 10 HA TYR 10 -11.962 -2.249 -3.830
136 HB2 TYR 10 HB3 TYR 10 -13.630 -0.401 -5.548
137 HB3 TYR 10 HB2 TYR 10 -13.044 -1.993 -6.014
138 HD1 TYR 10 HD1 TYR 10 -15.474 -0.157 -3.990
139 HD2 TYR 10 HD2 TYR 10 -14.062 -4.009 -5.111
140 HE1 TYR 10 HE1 TYR 10 -17.512 -1.168 -3.057
141 HE2 TYR 10 HE2 TYR 10 -16.096 -5.033 -4.182
142 HH TYR 10 HH TYR 10 -18.145 -3.497 -2.113
143 HN1 NH2 11 HN1 NH2 11 -12.166 0.702 -5.874
144 HN2 NH2 11 HN2 NH2 11 -10.441 0.839 -6.128
Start of MODEL 20
1 H1 ASP 1 H1 ASP 1 -0.674 7.821 -1.280
2 H2 ASP 1 H2 ASP 1 -0.587 8.025 0.422
3 H3 ASP 1 H3 ASP 1 -1.447 6.696 -0.242
4 HA ASP 1 HA ASP 1 1.449 7.172 -0.473
5 HB2 ASP 1 HB3 ASP 1 -0.170 5.252 1.221
6 HB3 ASP 1 HB2 ASP 1 1.586 5.226 1.074
7 H ALA 2 H ALA 2 2.584 5.351 -1.378
8 HA ALA 2 HA ALA 2 0.914 3.727 -3.188
9 HB1 ALA 2 HB1 ALA 2 2.840 5.593 -3.894
10 HB2 ALA 2 HB2 ALA 2 2.152 4.346 -4.933
11 HB3 ALA 2 HB3 ALA 2 3.657 4.041 -4.067
12 H GLU 3 H GLU 3 2.467 1.856 -4.086
13 HA GLU 3 HA GLU 3 2.730 -0.004 -2.048
14 HB2 GLU 3 HB3 GLU 3 2.694 -0.318 -4.624
15 HB3 GLU 3 HB2 GLU 3 4.441 -0.143 -4.511
16 HG2 GLU 3 HG3 GLU 3 4.263 -2.403 -4.375
17 HG3 GLU 3 HG2 GLU 3 4.173 -1.993 -2.663
18 H PHE 4 H PHE 4 5.109 2.230 -3.361
19 HA PHE 4 HA PHE 4 7.336 1.137 -1.974
20 HB2 PHE 4 HB3 PHE 4 8.483 3.220 -2.580
21 HB3 PHE 4 HB2 PHE 4 7.618 2.551 -3.959
22 HD1 PHE 4 HD1 PHE 4 7.432 5.127 -1.305
23 HD2 PHE 4 HD2 PHE 4 6.010 3.813 -5.093
24 HE1 PHE 4 HE1 PHE 4 6.276 7.276 -1.610
25 HE2 PHE 4 HE2 PHE 4 4.850 5.960 -5.407
26 HZ PHE 4 HZ PHE 4 4.981 7.695 -3.665
27 H ARG 5 H ARG 5 4.859 3.461 -1.181
28 HA ARG 5 HA ARG 5 6.202 4.362 1.214
29 HB2 ARG 5 HB3 ARG 5 4.725 5.848 -0.145
30 HB3 ARG 5 HB2 ARG 5 3.356 4.857 0.338
31 HG2 ARG 5 HG3 ARG 5 3.132 6.011 2.208
32 HG3 ARG 5 HG2 ARG 5 4.795 5.647 2.669
33 HD2 ARG 5 HD3 ARG 5 4.093 7.837 0.732
34 HD3 ARG 5 HD2 ARG 5 4.172 8.102 2.474
35 HE ARG 5 HE ARG 5 6.548 6.873 1.578
36 HH11 ARG 5 HH11 ARG 5 4.877 9.935 1.492
37 HH12 ARG 5 HH12 ARG 5 6.331 10.866 1.354
38 HH21 ARG 5 HH21 ARG 5 8.460 8.096 1.395
39 HH22 ARG 5 HH22 ARG 5 8.366 9.822 1.298
40 H HIS 6 H HIS 6 3.563 2.197 0.350
41 HA HIS 6 HA HIS 6 2.612 1.680 2.947
42 HB2 HIS 6 HB3 HIS 6 2.626 -0.297 0.663
43 HB3 HIS 6 HB2 HIS 6 1.496 -0.223 2.011
44 HD1 HIS 6 HD1 HIS 6 0.771 2.817 1.813
45 HD2 HIS 6 HD2 HIS 6 0.943 0.173 -1.385
46 HE1 HIS 6 HE1 HIS 6 -0.699 3.793 -0.000
47 H HIS 7 H HIS 7 5.142 0.214 0.999
48 HA HIS 7 HA HIS 7 5.878 -1.537 3.238
49 HB2 HIS 7 HB3 HIS 7 6.782 -1.587 0.350
50 HB3 HIS 7 HB2 HIS 7 7.245 -2.751 1.588
51 HD1 HIS 7 HD1 HIS 7 5.674 -4.707 1.948
52 HD2 HIS 7 HD2 HIS 7 3.984 -1.669 -0.332
53 HE1 HIS 7 HE1 HIS 7 3.471 -5.601 1.086
54 H SER 8 H SER 8 8.325 -1.904 3.408
55 HA SER 8 HA SER 8 9.695 0.700 3.240
56 HB2 SER 8 HB3 SER 8 9.182 0.120 5.564
57 HB3 SER 8 HB2 SER 8 9.995 -1.432 5.368
58 HG SER 8 HG SER 8 11.925 -0.222 4.920
59 H GLY 9 H GLY 9 11.600 0.757 2.211
60 HA2 GLY 9 HA3 GLY 9 13.373 -1.477 2.066
61 HA3 GLY 9 HA2 GLY 9 12.501 -1.253 0.557
62 H TYR 10 H TYR 10 14.989 -1.043 0.094
63 HA TYR 10 HA TYR 10 16.136 1.524 0.667
64 HB2 TYR 10 HB3 TYR 10 16.983 -0.654 -1.253
65 HB3 TYR 10 HB2 TYR 10 17.929 0.787 -0.896
66 HD1 TYR 10 HD1 TYR 10 16.773 -2.444 0.376
67 HD2 TYR 10 HD2 TYR 10 19.060 1.037 1.243
68 HE1 TYR 10 HE1 TYR 10 17.802 -3.602 2.286
69 HE2 TYR 10 HE2 TYR 10 20.097 -0.111 3.153
70 HH TYR 10 HH TYR 10 20.530 -2.376 3.926
71 HN1 NH2 11 HN1 NH2 11 14.096 0.202 -1.875
72 HN2 NH2 11 HN2 NH2 11 14.135 1.613 -2.908
73 H1 ASP 1 H1 ASP 1 0.796 -7.366 2.244
74 H2 ASP 1 H2 ASP 1 0.950 -5.677 1.975
75 H3 ASP 1 H3 ASP 1 1.607 -6.792 0.846
76 HA ASP 1 HA ASP 1 -0.681 -7.627 0.504
77 HB2 ASP 1 HB3 ASP 1 -1.453 -5.000 1.771
78 HB3 ASP 1 HB2 ASP 1 -2.503 -6.320 1.269
79 H ALA 2 H ALA 2 -2.325 -5.886 -0.723
80 HA ALA 2 HA ALA 2 -0.540 -4.534 -2.642
81 HB1 ALA 2 HB1 ALA 2 -2.629 -6.435 -3.017
82 HB2 ALA 2 HB2 ALA 2 -1.571 -5.701 -4.222
83 HB3 ALA 2 HB3 ALA 2 -3.092 -4.921 -3.792
84 H GLU 3 H GLU 3 -1.832 -2.812 -3.943
85 HA GLU 3 HA GLU 3 -2.331 -0.646 -2.301
86 HB2 GLU 3 HB3 GLU 3 -1.827 -0.616 -4.770
87 HB3 GLU 3 HB2 GLU 3 -3.519 -1.012 -5.049
88 HG2 GLU 3 HG3 GLU 3 -4.053 1.126 -4.929
89 HG3 GLU 3 HG2 GLU 3 -3.416 1.207 -3.286
90 H PHE 4 H PHE 4 -4.595 -3.041 -3.539
91 HA PHE 4 HA PHE 4 -6.933 -1.630 -2.754
92 HB2 PHE 4 HB3 PHE 4 -8.147 -3.640 -3.253
93 HB3 PHE 4 HB2 PHE 4 -6.894 -3.445 -4.473
94 HD1 PHE 4 HD1 PHE 4 -8.117 -5.469 -1.714
95 HD2 PHE 4 HD2 PHE 4 -4.952 -4.929 -4.507
96 HE1 PHE 4 HE1 PHE 4 -7.324 -7.750 -1.249
97 HE2 PHE 4 HE2 PHE 4 -4.153 -7.210 -4.046
98 HZ PHE 4 HZ PHE 4 -5.339 -8.624 -2.417
99 H ARG 5 H ARG 5 -4.751 -3.813 -1.136
100 HA ARG 5 HA ARG 5 -6.494 -4.269 1.108
101 HB2 ARG 5 HB3 ARG 5 -3.551 -4.791 0.699
102 HB3 ARG 5 HB2 ARG 5 -4.426 -5.233 2.158
103 HG2 ARG 5 HG3 ARG 5 -5.976 -6.340 0.209
104 HG3 ARG 5 HG2 ARG 5 -4.353 -6.524 -0.456
105 HD2 ARG 5 HD3 ARG 5 -3.662 -7.899 1.258
106 HD3 ARG 5 HD2 ARG 5 -4.846 -7.251 2.394
107 HE ARG 5 HE ARG 5 -6.016 -8.695 0.201
108 HH11 ARG 5 HH11 ARG 5 -4.629 -8.972 3.392
109 HH12 ARG 5 HH12 ARG 5 -5.445 -10.456 3.753
110 HH21 ARG 5 HH21 ARG 5 -7.091 -10.644 0.675
111 HH22 ARG 5 HH22 ARG 5 -6.843 -11.406 2.211
112 H HIS 6 H HIS 6 -3.719 -2.213 0.399
113 HA HIS 6 HA HIS 6 -3.464 -1.090 2.987
114 HB2 HIS 6 HB3 HIS 6 -2.742 0.220 0.360
115 HB3 HIS 6 HB2 HIS 6 -2.088 0.610 1.946
116 HD1 HIS 6 HD1 HIS 6 -0.828 -1.715 3.060
117 HD2 HIS 6 HD2 HIS 6 -1.083 -1.264 -1.059
118 HE1 HIS 6 HE1 HIS 6 0.972 -3.199 2.065
119 H HIS 7 H HIS 7 -5.278 -0.173 0.122
120 HA HIS 7 HA HIS 7 -6.440 2.115 1.524
121 HB2 HIS 7 HB3 HIS 7 -6.637 1.253 -1.368
122 HB3 HIS 7 HB2 HIS 7 -7.368 2.707 -0.697
123 HD1 HIS 7 HD1 HIS 7 -5.951 4.769 -0.813
124 HD2 HIS 7 HD2 HIS 7 -3.701 1.287 -1.115
125 HE1 HIS 7 HE1 HIS 7 -3.575 5.494 -1.284
126 H SER 8 H SER 8 -8.468 2.133 2.276
127 HA SER 8 HA SER 8 -10.008 -0.297 2.204
128 HB2 SER 8 HB3 SER 8 -10.433 2.391 3.509
129 HB3 SER 8 HB2 SER 8 -11.644 1.110 3.575
130 HG SER 8 HG SER 8 -9.548 1.414 5.133
131 H GLY 9 H GLY 9 -12.345 -0.279 1.668
132 HA2 GLY 9 HA3 GLY 9 -13.779 1.543 0.271
133 HA3 GLY 9 HA2 GLY 9 -12.712 0.875 -0.955
134 H TYR 10 H TYR 10 -14.278 -0.750 1.779
135 HA TYR 10 HA TYR 10 -15.505 -2.602 -0.143
136 HB2 TYR 10 HB3 TYR 10 -15.710 -4.147 1.786
137 HB3 TYR 10 HB2 TYR 10 -14.042 -3.682 1.466
138 HD1 TYR 10 HD1 TYR 10 -12.821 -2.270 3.021
139 HD2 TYR 10 HD2 TYR 10 -16.851 -3.392 3.796
140 HE1 TYR 10 HE1 TYR 10 -12.569 -1.539 5.356
141 HE2 TYR 10 HE2 TYR 10 -16.610 -2.664 6.132
142 HH TYR 10 HH TYR 10 -14.042 -2.358 7.708
143 HN1 NH2 11 HN1 NH2 11 -16.253 -0.679 2.820
144 HN2 NH2 11 HN2 NH2 11 -17.986 -0.700 2.581