Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
612884 | 5mxt RC | 34092 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 H1 TRP 1 -1.891 4.305 -2.122
2 H2 TRP 1 H2 TRP 1 -2.487 3.509 -0.811
3 H3 TRP 1 H3 TRP 1 -1.336 2.802 -1.752
4 HA TRP 1 HA TRP 1 0.275 4.442 -1.157
5 HB2 TRP 1 HB2 TRP 1 -1.379 6.244 -0.794
6 HB3 TRP 1 HB3 TRP 1 -1.915 5.452 0.680
7 HD1 TRP 1 HD1 TRP 1 1.122 7.276 -0.786
8 HE1 TRP 1 HE1 TRP 1 2.548 8.250 1.082
9 HE3 TRP 1 HE3 TRP 1 -1.350 5.300 3.231
10 HZ2 TRP 1 HZ2 TRP 1 2.631 8.180 3.975
11 HZ3 TRP 1 HZ3 TRP 1 -0.565 5.772 5.531
12 HH2 TRP 1 HH2 TRP 1 1.416 7.208 5.916
13 H TYR 2 H TYR 2 1.270 4.526 1.213
14 HA TYR 2 HA TYR 2 1.816 1.895 1.791
15 HB2 TYR 2 HB2 TYR 2 3.485 3.352 2.243
16 HB3 TYR 2 HB3 TYR 2 2.434 4.470 3.111
17 HD1 TYR 2 HD1 TYR 2 1.751 4.097 5.424
18 HD2 TYR 2 HD2 TYR 2 4.548 1.497 3.434
19 HE1 TYR 2 HE1 TYR 2 2.447 3.175 7.616
20 HE2 TYR 2 HE2 TYR 2 5.267 0.589 5.626
21 HH TYR 2 HH TYR 2 3.824 1.705 8.706
22 H HIS 3 H HIS 3 -1.010 3.402 2.997
23 HA HIS 3 HA HIS 3 -1.145 2.053 5.521
24 HB2 HIS 3 HB2 HIS 3 -3.489 2.667 5.491
25 HB3 HIS 3 HB3 HIS 3 -2.492 4.016 4.918
26 HD2 HIS 3 HD2 HIS 3 -3.507 5.208 2.874
27 HE1 HIS 3 HE1 HIS 3 -5.739 2.007 1.182
28 HE2 HIS 3 HE2 HIS 3 -5.135 4.474 0.958
29 H ARG 4 H ARG 4 -1.420 0.909 2.297
30 HA ARG 4 HA ARG 4 -3.283 -1.215 2.690
31 HB2 ARG 4 HB2 ARG 4 -1.600 -0.177 0.592
32 HB3 ARG 4 HB3 ARG 4 -1.327 -1.921 0.695
33 HG2 ARG 4 HG2 ARG 4 -4.055 -0.586 0.501
34 HG3 ARG 4 HG3 ARG 4 -3.180 -1.308 -0.864
35 HD2 ARG 4 HD2 ARG 4 -3.169 -3.498 0.313
36 HD3 ARG 4 HD3 ARG 4 -4.105 -2.788 1.638
37 HE ARG 4 HE ARG 4 -5.944 -2.384 0.047
38 HH11 ARG 4 HH11 ARG 4 -3.488 -4.766 -0.879
39 HH12 ARG 4 HH12 ARG 4 -4.566 -5.602 -1.974
40 HH21 ARG 4 HH21 ARG 4 -7.306 -3.514 -1.358
41 HH22 ARG 4 HH22 ARG 4 -6.708 -4.904 -2.240
42 H LEU 5 H LEU 5 -0.072 -0.829 3.885
43 HA LEU 5 HA LEU 5 0.757 -3.564 3.858
44 HB2 LEU 5 HB2 LEU 5 2.308 -1.719 4.217
45 HB3 LEU 5 HB3 LEU 5 1.434 -1.211 5.668
46 HG LEU 5 HG LEU 5 2.042 -3.318 6.804
47 HD11 LEU 5 HD11 LEU 5 3.800 -4.766 5.779
48 HD12 LEU 5 HD12 LEU 5 2.284 -4.808 4.856
49 HD13 LEU 5 HD13 LEU 5 3.662 -3.843 4.266
50 HD21 LEU 5 HD21 LEU 5 4.400 -1.823 5.594
51 HD22 LEU 5 HD22 LEU 5 3.464 -1.320 7.017
52 HD23 LEU 5 HD23 LEU 5 4.436 -2.804 7.077
53 H SER 6 H SER 6 -1.495 -1.752 5.904
54 HA SER 6 HA SER 6 -1.429 -3.509 8.156
55 HB2 SER 6 HB2 SER 6 -2.310 -1.213 8.217
56 HB3 SER 6 HB3 SER 6 -3.634 -1.682 7.127
57 HG SER 6 HG SER 6 -4.321 -3.159 8.722
58 H HIS 7 H HIS 7 -2.770 -3.873 4.968
59 HA HIS 7 HA HIS 7 -4.913 -5.694 5.661
60 HB2 HIS 7 HB2 HIS 7 -4.739 -4.280 3.589
61 HB3 HIS 7 HB3 HIS 7 -3.408 -5.297 3.045
62 HD2 HIS 7 HD2 HIS 7 -7.145 -5.059 2.985
63 HE1 HIS 7 HE1 HIS 7 -6.292 -8.998 1.634
64 HE2 HIS 7 HE2 HIS 7 -8.100 -7.223 1.868
65 H ILE 8 H ILE 8 -1.433 -5.950 5.091
66 HA ILE 8 HA ILE 8 -1.526 -8.805 4.579
67 HB ILE 8 HB ILE 8 0.763 -6.882 5.146
68 HG12 ILE 8 HG12 ILE 8 -0.333 -8.080 2.568
69 HG13 ILE 8 HG13 ILE 8 -0.547 -6.405 3.101
70 HG21 ILE 8 HG21 ILE 8 1.383 -9.213 5.709
71 HG22 ILE 8 HG22 ILE 8 0.837 -9.743 4.100
72 HG23 ILE 8 HG23 ILE 8 2.233 -8.653 4.258
73 HD11 ILE 8 HD11 ILE 8 2.095 -7.728 2.360
74 HD12 ILE 8 HD12 ILE 8 1.218 -6.481 1.451
75 HD13 ILE 8 HD13 ILE 8 1.926 -6.087 3.033
76 H HIS 9 H HIS 9 -1.021 -6.670 7.382
77 HA HIS 9 HA HIS 9 -0.191 -8.825 9.146
78 HB2 HIS 9 HB2 HIS 9 -1.145 -5.984 9.629
79 HB3 HIS 9 HB3 HIS 9 -0.613 -7.085 10.908
80 HD2 HIS 9 HD2 HIS 9 1.826 -6.721 11.600
81 HE1 HIS 9 HE1 HIS 9 3.447 -5.286 7.942
82 HE2 HIS 9 HE2 HIS 9 3.965 -5.835 10.377
83 H SER 10 H SER 10 -3.308 -7.274 8.275
84 HA SER 10 HA SER 10 -4.764 -8.490 10.448
85 HB2 SER 10 HB2 SER 10 -6.736 -7.709 9.260
86 HB3 SER 10 HB3 SER 10 -5.498 -6.442 9.273
87 HG SER 10 HG SER 10 -6.191 -8.191 7.148
88 H ARG 11 H ARG 11 -3.677 -9.605 7.305
89 HA ARG 11 HA ARG 11 -5.618 -11.673 6.905
90 HB2 ARG 11 HB2 ARG 11 -4.147 -10.749 5.170
91 HB3 ARG 11 HB3 ARG 11 -2.730 -11.437 5.985
92 HG2 ARG 11 HG2 ARG 11 -3.577 -13.711 5.634
93 HG3 ARG 11 HG3 ARG 11 -5.070 -13.070 4.906
94 HD2 ARG 11 HD2 ARG 11 -3.717 -12.009 3.107
95 HD3 ARG 11 HD3 ARG 11 -2.247 -12.654 3.851
96 HE ARG 11 HE ARG 11 -2.797 -14.821 3.122
97 HH11 ARG 11 HH11 ARG 11 -5.357 -12.530 2.268
98 HH12 ARG 11 HH12 ARG 11 -6.119 -13.639 1.148
99 HH21 ARG 11 HH21 ARG 11 -3.818 -16.224 1.673
100 HH22 ARG 11 HH22 ARG 11 -5.251 -15.716 0.813
101 H LEU 12 H LEU 12 -2.708 -11.425 8.873
102 HA LEU 12 HA LEU 12 -2.754 -14.307 9.527
103 HB2 LEU 12 HB2 LEU 12 -0.655 -13.189 9.010
104 HB3 LEU 12 HB3 LEU 12 -0.927 -11.987 10.263
105 HG LEU 12 HG LEU 12 0.764 -13.799 10.736
106 HD11 LEU 12 HD11 LEU 12 -0.208 -12.370 12.504
107 HD12 LEU 12 HD12 LEU 12 -1.454 -13.611 12.803
108 HD13 LEU 12 HD13 LEU 12 0.251 -13.989 13.075
109 HD21 LEU 12 HD21 LEU 12 -0.501 -15.702 9.836
110 HD22 LEU 12 HD22 LEU 12 -0.007 -15.965 11.519
111 HD23 LEU 12 HD23 LEU 12 -1.690 -15.541 11.151
112 H GLN 13 H GLN 13 -3.619 -11.136 10.862
113 HA GLN 13 HA GLN 13 -3.778 -12.063 13.595
114 HB2 GLN 13 HB2 GLN 13 -3.248 -9.758 13.040
115 HB3 GLN 13 HB3 GLN 13 -4.815 -9.552 12.236
116 HG2 GLN 13 HG2 GLN 13 -6.007 -9.903 14.344
117 HG3 GLN 13 HG3 GLN 13 -4.488 -10.270 15.178
118 HE21 GLN 13 HE21 GLN 13 -5.694 -8.417 16.487
119 HE22 GLN 13 HE22 GLN 13 -5.128 -6.802 16.116
120 H ASP 14 H ASP 14 -6.204 -11.546 10.985
121 HA ASP 14 HA ASP 14 -7.995 -13.327 12.419
122 HB2 ASP 14 HB2 ASP 14 -9.935 -11.707 12.327
123 HB3 ASP 14 HB3 ASP 14 -8.703 -11.455 13.568
124 HN1 NH2 15 HN1 NH2 15 -6.632 -12.698 9.593
125 HN2 NH2 15 HN2 NH2 15 -7.907 -13.230 8.520
Start of MODEL 2
1 H1 TRP 1 H1 TRP 1 -1.181 2.747 -1.690
2 H2 TRP 1 H2 TRP 1 -1.490 4.306 -2.121
3 H3 TRP 1 H3 TRP 1 -2.149 3.677 -0.748
4 HA TRP 1 HA TRP 1 0.706 4.118 -1.246
5 HB2 TRP 1 HB2 TRP 1 -0.583 6.196 -0.899
6 HB3 TRP 1 HB3 TRP 1 -1.203 5.563 0.614
7 HD1 TRP 1 HD1 TRP 1 2.057 6.775 -0.992
8 HE1 TRP 1 HE1 TRP 1 3.694 7.532 0.806
9 HE3 TRP 1 HE3 TRP 1 -0.597 5.374 3.148
10 HZ2 TRP 1 HZ2 TRP 1 3.859 7.509 3.693
11 HZ3 TRP 1 HZ3 TRP 1 0.338 5.732 5.408
12 HH2 TRP 1 HH2 TRP 1 2.557 6.802 5.697
13 H TYR 2 H TYR 2 1.837 4.104 1.041
14 HA TYR 2 HA TYR 2 1.992 1.454 1.713
15 HB2 TYR 2 HB2 TYR 2 3.877 2.662 2.026
16 HB3 TYR 2 HB3 TYR 2 3.054 3.941 2.914
17 HD1 TYR 2 HD1 TYR 2 2.381 3.651 5.276
18 HD2 TYR 2 HD2 TYR 2 4.823 0.785 3.206
19 HE1 TYR 2 HE1 TYR 2 3.085 2.690 7.451
20 HE2 TYR 2 HE2 TYR 2 5.544 -0.178 5.374
21 HH TYR 2 HH TYR 2 4.352 1.081 8.506
22 H HIS 3 H HIS 3 -0.478 3.443 3.034
23 HA HIS 3 HA HIS 3 -0.747 2.237 5.591
24 HB2 HIS 3 HB2 HIS 3 -3.075 3.057 5.467
25 HB3 HIS 3 HB3 HIS 3 -1.911 4.276 4.928
26 HD2 HIS 3 HD2 HIS 3 -2.774 5.571 2.885
27 HE1 HIS 3 HE1 HIS 3 -5.055 2.525 0.980
28 HE2 HIS 3 HE2 HIS 3 -4.309 4.964 0.857
29 H ARG 4 H ARG 4 -1.382 0.985 2.412
30 HA ARG 4 HA ARG 4 -3.389 -0.937 3.207
31 HB2 ARG 4 HB2 ARG 4 -3.183 -1.810 0.962
32 HB3 ARG 4 HB3 ARG 4 -3.220 -0.046 0.946
33 HG2 ARG 4 HG2 ARG 4 -1.532 -0.385 -0.519
34 HG3 ARG 4 HG3 ARG 4 -0.569 -0.296 0.970
35 HD2 ARG 4 HD2 ARG 4 -0.539 -2.766 1.106
36 HD3 ARG 4 HD3 ARG 4 -1.540 -2.871 -0.346
37 HE ARG 4 HE ARG 4 1.309 -2.022 -0.186
38 HH11 ARG 4 HH11 ARG 4 -1.515 -2.772 -2.182
39 HH12 ARG 4 HH12 ARG 4 -0.587 -2.867 -3.659
40 HH21 ARG 4 HH21 ARG 4 2.485 -2.152 -2.120
41 HH22 ARG 4 HH22 ARG 4 1.670 -2.512 -3.626
42 H LEU 5 H LEU 5 -0.057 -0.838 3.884
43 HA LEU 5 HA LEU 5 0.593 -3.611 3.634
44 HB2 LEU 5 HB2 LEU 5 2.310 -1.937 4.017
45 HB3 LEU 5 HB3 LEU 5 1.552 -1.440 5.534
46 HG LEU 5 HG LEU 5 2.023 -3.669 6.521
47 HD11 LEU 5 HD11 LEU 5 3.482 -4.160 3.892
48 HD12 LEU 5 HD12 LEU 5 3.568 -5.208 5.326
49 HD13 LEU 5 HD13 LEU 5 2.037 -5.030 4.451
50 HD21 LEU 5 HD21 LEU 5 4.455 -2.335 5.271
51 HD22 LEU 5 HD22 LEU 5 3.637 -1.811 6.763
52 HD23 LEU 5 HD23 LEU 5 4.448 -3.389 6.710
53 H SER 6 H SER 6 -1.380 -1.802 5.919
54 HA SER 6 HA SER 6 -1.399 -3.680 8.059
55 HB2 SER 6 HB2 SER 6 -3.457 -2.520 8.739
56 HB3 SER 6 HB3 SER 6 -2.200 -1.361 8.258
57 HG SER 6 HG SER 6 -3.273 -0.992 6.379
58 H HIS 7 H HIS 7 -2.751 -3.886 4.865
59 HA HIS 7 HA HIS 7 -4.967 -5.619 5.479
60 HB2 HIS 7 HB2 HIS 7 -4.754 -4.311 3.390
61 HB3 HIS 7 HB3 HIS 7 -3.316 -5.243 2.949
62 HD2 HIS 7 HD2 HIS 7 -3.786 -7.167 1.303
63 HE1 HIS 7 HE1 HIS 7 -7.862 -7.965 2.218
64 HE2 HIS 7 HE2 HIS 7 -5.899 -8.595 0.719
65 H ILE 8 H ILE 8 -1.476 -6.079 4.971
66 HA ILE 8 HA ILE 8 -1.716 -8.935 4.547
67 HB ILE 8 HB ILE 8 0.594 -7.029 5.040
68 HG12 ILE 8 HG12 ILE 8 1.320 -7.846 2.809
69 HG13 ILE 8 HG13 ILE 8 -0.111 -8.879 2.707
70 HG21 ILE 8 HG21 ILE 8 2.117 -8.960 4.685
71 HG22 ILE 8 HG22 ILE 8 1.201 -9.104 6.188
72 HG23 ILE 8 HG23 ILE 8 0.725 -10.061 4.763
73 HD11 ILE 8 HD11 ILE 8 -0.206 -5.841 2.950
74 HD12 ILE 8 HD12 ILE 8 -0.295 -6.738 1.422
75 HD13 ILE 8 HD13 ILE 8 -1.576 -6.934 2.626
76 H HIS 9 H HIS 9 -1.017 -6.760 7.297
77 HA HIS 9 HA HIS 9 -0.458 -8.890 9.154
78 HB2 HIS 9 HB2 HIS 9 -1.308 -5.998 9.553
79 HB3 HIS 9 HB3 HIS 9 -0.759 -7.079 10.844
80 HD2 HIS 9 HD2 HIS 9 1.727 -6.806 11.434
81 HE1 HIS 9 HE1 HIS 9 3.238 -5.445 7.696
82 HE2 HIS 9 HE2 HIS 9 3.837 -5.984 10.115
83 H SER 10 H SER 10 -3.412 -7.441 7.895
84 HA SER 10 HA SER 10 -5.124 -8.253 10.071
85 HB2 SER 10 HB2 SER 10 -5.704 -7.618 7.151
86 HB3 SER 10 HB3 SER 10 -6.935 -7.889 8.400
87 HG SER 10 HG SER 10 -4.953 -5.858 8.372
88 H ARG 11 H ARG 11 -3.789 -9.898 7.229
89 HA ARG 11 HA ARG 11 -5.625 -12.161 7.427
90 HB2 ARG 11 HB2 ARG 11 -3.018 -11.732 5.916
91 HB3 ARG 11 HB3 ARG 11 -4.059 -13.168 5.770
92 HG2 ARG 11 HG2 ARG 11 -5.925 -11.749 4.986
93 HG3 ARG 11 HG3 ARG 11 -4.923 -10.303 5.175
94 HD2 ARG 11 HD2 ARG 11 -4.942 -10.975 2.838
95 HD3 ARG 11 HD3 ARG 11 -3.321 -11.167 3.513
96 HE ARG 11 HE ARG 11 -3.476 -13.481 3.287
97 HH11 ARG 11 HH11 ARG 11 -6.622 -12.009 2.601
98 HH12 ARG 11 HH12 ARG 11 -7.286 -13.483 1.936
99 HH21 ARG 11 HH21 ARG 11 -4.369 -15.372 2.410
100 HH22 ARG 11 HH22 ARG 11 -6.020 -15.380 1.836
101 H LEU 12 H LEU 12 -2.564 -11.200 8.866
102 HA LEU 12 HA LEU 12 -1.937 -13.884 9.843
103 HB2 LEU 12 HB2 LEU 12 -0.160 -12.351 9.338
104 HB3 LEU 12 HB3 LEU 12 -0.827 -11.096 10.380
105 HG LEU 12 HG LEU 12 -0.158 -13.744 11.646
106 HD11 LEU 12 HD11 LEU 12 2.190 -13.033 11.913
107 HD12 LEU 12 HD12 LEU 12 1.786 -13.267 10.200
108 HD13 LEU 12 HD13 LEU 12 1.888 -11.623 10.872
109 HD21 LEU 12 HD21 LEU 12 0.507 -12.258 13.513
110 HD22 LEU 12 HD22 LEU 12 0.207 -10.827 12.495
111 HD23 LEU 12 HD23 LEU 12 -1.141 -11.874 12.998
112 H GLN 13 H GLN 13 -3.730 -11.048 10.897
113 HA GLN 13 HA GLN 13 -4.001 -11.931 13.663
114 HB2 GLN 13 HB2 GLN 13 -3.979 -9.572 13.071
115 HB3 GLN 13 HB3 GLN 13 -5.389 -9.780 12.012
116 HG2 GLN 13 HG2 GLN 13 -6.808 -10.324 13.919
117 HG3 GLN 13 HG3 GLN 13 -5.408 -10.361 14.998
118 HE21 GLN 13 HE21 GLN 13 -7.111 -8.797 16.062
119 HE22 GLN 13 HE22 GLN 13 -6.862 -7.102 15.709
120 H ASP 14 H ASP 14 -5.704 -12.475 10.637
121 HA ASP 14 HA ASP 14 -8.188 -13.259 11.804
122 HB2 ASP 14 HB2 ASP 14 -8.250 -12.556 9.574
123 HB3 ASP 14 HB3 ASP 14 -6.935 -13.639 9.103
124 HN1 NH2 15 HN1 NH2 15 -8.639 -14.910 13.061
125 HN2 NH2 15 HN2 NH2 15 -7.875 -16.485 12.988
Start of MODEL 3
1 H1 TRP 1 H1 TRP 1 3.297 -0.169 1.194
2 H2 TRP 1 H2 TRP 1 4.014 0.981 0.251
3 H3 TRP 1 H3 TRP 1 2.376 0.938 0.400
4 HA TRP 1 HA TRP 1 4.287 1.505 2.555
5 HB2 TRP 1 HB2 TRP 1 4.076 3.288 0.835
6 HB3 TRP 1 HB3 TRP 1 2.346 3.362 1.131
7 HD1 TRP 1 HD1 TRP 1 5.695 4.144 2.798
8 HE1 TRP 1 HE1 TRP 1 5.382 5.887 4.638
9 HE3 TRP 1 HE3 TRP 1 0.593 4.466 2.736
10 HZ2 TRP 1 HZ2 TRP 1 3.185 7.215 5.963
11 HZ3 TRP 1 HZ3 TRP 1 -0.580 5.969 4.312
12 HH2 TRP 1 HH2 TRP 1 0.694 7.340 5.935
13 H TYR 2 H TYR 2 2.858 2.768 4.350
14 HA TYR 2 HA TYR 2 1.475 0.744 5.590
15 HB2 TYR 2 HB2 TYR 2 2.424 2.290 6.959
16 HB3 TYR 2 HB3 TYR 2 1.720 3.655 6.099
17 HD1 TYR 2 HD1 TYR 2 -0.647 4.297 6.402
18 HD2 TYR 2 HD2 TYR 2 1.214 1.220 8.763
19 HE1 TYR 2 HE1 TYR 2 -2.483 4.463 8.058
20 HE2 TYR 2 HE2 TYR 2 -0.616 1.386 10.431
21 HH TYR 2 HH TYR 2 -3.342 3.682 10.037
22 H HIS 3 H HIS 3 -0.019 2.792 3.215
23 HA HIS 3 HA HIS 3 -2.684 2.585 4.255
24 HB2 HIS 3 HB2 HIS 3 -3.364 3.383 2.062
25 HB3 HIS 3 HB3 HIS 3 -1.950 4.281 2.641
26 HD2 HIS 3 HD2 HIS 3 -0.246 4.718 0.758
27 HE1 HIS 3 HE1 HIS 3 -0.963 1.319 -1.696
28 HE2 HIS 3 HE2 HIS 3 0.406 3.456 -1.443
29 H ARG 4 H ARG 4 -0.628 0.281 2.813
30 HA ARG 4 HA ARG 4 -2.926 -1.588 2.562
31 HB2 ARG 4 HB2 ARG 4 -0.895 -0.841 0.516
32 HB3 ARG 4 HB3 ARG 4 -1.194 -2.573 0.685
33 HG2 ARG 4 HG2 ARG 4 -3.415 -0.527 0.329
34 HG3 ARG 4 HG3 ARG 4 -2.676 -1.415 -1.015
35 HD2 ARG 4 HD2 ARG 4 -4.015 -2.735 1.382
36 HD3 ARG 4 HD3 ARG 4 -4.796 -2.460 -0.181
37 HE ARG 4 HE ARG 4 -2.683 -4.424 0.456
38 HH11 ARG 4 HH11 ARG 4 -4.646 -2.866 -2.047
39 HH12 ARG 4 HH12 ARG 4 -4.334 -4.118 -3.226
40 HH21 ARG 4 HH21 ARG 4 -2.309 -6.035 -1.106
41 HH22 ARG 4 HH22 ARG 4 -3.020 -5.898 -2.697
42 H LEU 5 H LEU 5 0.370 -1.033 3.649
43 HA LEU 5 HA LEU 5 0.904 -3.844 4.068
44 HB2 LEU 5 HB2 LEU 5 2.719 -2.202 3.863
45 HB3 LEU 5 HB3 LEU 5 2.104 -1.302 5.258
46 HG LEU 5 HG LEU 5 2.577 -3.237 6.732
47 HD11 LEU 5 HD11 LEU 5 3.806 -4.440 4.212
48 HD12 LEU 5 HD12 LEU 5 3.986 -5.086 5.860
49 HD13 LEU 5 HD13 LEU 5 2.388 -5.068 5.093
50 HD21 LEU 5 HD21 LEU 5 4.244 -1.452 6.414
51 HD22 LEU 5 HD22 LEU 5 5.029 -3.021 6.670
52 HD23 LEU 5 HD23 LEU 5 4.930 -2.333 5.031
53 H SER 6 H SER 6 -0.708 -1.293 5.931
54 HA SER 6 HA SER 6 -0.819 -2.791 8.387
55 HB2 SER 6 HB2 SER 6 -2.523 -1.130 9.024
56 HB3 SER 6 HB3 SER 6 -1.098 -0.349 8.309
57 HG SER 6 HG SER 6 -2.218 0.118 6.537
58 H HIS 7 H HIS 7 -2.408 -3.179 5.367
59 HA HIS 7 HA HIS 7 -4.845 -4.380 6.468
60 HB2 HIS 7 HB2 HIS 7 -4.755 -3.066 4.334
61 HB3 HIS 7 HB3 HIS 7 -3.711 -4.304 3.647
62 HD2 HIS 7 HD2 HIS 7 -7.332 -3.454 4.026
63 HE1 HIS 7 HE1 HIS 7 -7.285 -7.543 2.844
64 HE2 HIS 7 HE2 HIS 7 -8.751 -5.481 3.172
65 H ILE 8 H ILE 8 -1.717 -5.394 5.097
66 HA ILE 8 HA ILE 8 -2.473 -8.071 4.519
67 HB ILE 8 HB ILE 8 0.189 -6.682 4.938
68 HG12 ILE 8 HG12 ILE 8 -1.180 -7.717 2.419
69 HG13 ILE 8 HG13 ILE 8 -1.367 -6.067 3.015
70 HG21 ILE 8 HG21 ILE 8 -0.311 -9.501 3.902
71 HG22 ILE 8 HG22 ILE 8 1.245 -8.648 3.844
72 HG23 ILE 8 HG23 ILE 8 0.538 -9.066 5.407
73 HD11 ILE 8 HD11 ILE 8 1.247 -7.359 2.151
74 HD12 ILE 8 HD12 ILE 8 0.340 -6.096 1.299
75 HD13 ILE 8 HD13 ILE 8 1.095 -5.732 2.870
76 H HIS 9 H HIS 9 -1.457 -6.568 7.573
77 HA HIS 9 HA HIS 9 -0.600 -9.002 8.816
78 HB2 HIS 9 HB2 HIS 9 -1.833 -6.613 10.205
79 HB3 HIS 9 HB3 HIS 9 -0.692 -7.783 10.870
80 HD2 HIS 9 HD2 HIS 9 -0.623 -4.366 10.028
81 HE1 HIS 9 HE1 HIS 9 3.110 -5.649 8.438
82 HE2 HIS 9 HE2 HIS 9 1.732 -3.623 9.139
83 H SER 10 H SER 10 -3.800 -7.736 8.078
84 HA SER 10 HA SER 10 -5.203 -9.087 10.189
85 HB2 SER 10 HB2 SER 10 -7.193 -8.573 8.921
86 HB3 SER 10 HB3 SER 10 -6.101 -7.173 8.838
87 HG SER 10 HG SER 10 -5.543 -7.777 6.774
88 H ARG 11 H ARG 11 -3.642 -10.243 7.349
89 HA ARG 11 HA ARG 11 -5.371 -12.546 6.920
90 HB2 ARG 11 HB2 ARG 11 -2.617 -11.820 5.863
91 HB3 ARG 11 HB3 ARG 11 -3.595 -13.206 5.335
92 HG2 ARG 11 HG2 ARG 11 -5.396 -11.668 4.602
93 HG3 ARG 11 HG3 ARG 11 -4.455 -10.276 5.172
94 HD2 ARG 11 HD2 ARG 11 -4.212 -10.513 2.758
95 HD3 ARG 11 HD3 ARG 11 -2.666 -10.806 3.563
96 HE ARG 11 HE ARG 11 -2.739 -13.060 2.923
97 HH11 ARG 11 HH11 ARG 11 -5.785 -11.460 2.115
98 HH12 ARG 11 HH12 ARG 11 -6.343 -12.784 1.115
99 HH21 ARG 11 HH21 ARG 11 -3.489 -14.756 1.612
100 HH22 ARG 11 HH22 ARG 11 -5.045 -14.632 0.826
101 H LEU 12 H LEU 12 -3.040 -11.799 9.237
102 HA LEU 12 HA LEU 12 -2.617 -14.698 9.824
103 HB2 LEU 12 HB2 LEU 12 -0.565 -13.790 9.030
104 HB3 LEU 12 HB3 LEU 12 -0.710 -12.343 10.031
105 HG LEU 12 HG LEU 12 -0.627 -15.016 11.418
106 HD11 LEU 12 HD11 LEU 12 1.791 -13.569 10.275
107 HD12 LEU 12 HD12 LEU 12 1.838 -14.970 11.370
108 HD13 LEU 12 HD13 LEU 12 1.172 -15.146 9.738
109 HD21 LEU 12 HD21 LEU 12 0.616 -12.280 11.992
110 HD22 LEU 12 HD22 LEU 12 -0.887 -12.887 12.718
111 HD23 LEU 12 HD23 LEU 12 0.654 -13.692 13.070
112 H GLN 13 H GLN 13 -3.652 -11.559 10.851
113 HA GLN 13 HA GLN 13 -3.711 -12.293 13.705
114 HB2 GLN 13 HB2 GLN 13 -4.516 -9.789 12.195
115 HB3 GLN 13 HB3 GLN 13 -4.686 -9.991 13.952
116 HG2 GLN 13 HG2 GLN 13 -2.287 -10.331 14.212
117 HG3 GLN 13 HG3 GLN 13 -2.040 -10.295 12.467
118 HE21 GLN 13 HE21 GLN 13 -0.515 -8.585 13.879
119 HE22 GLN 13 HE22 GLN 13 -1.090 -6.940 13.708
120 H ASP 14 H ASP 14 -5.634 -13.030 11.084
121 HA ASP 14 HA ASP 14 -8.203 -12.614 12.303
122 HB2 ASP 14 HB2 ASP 14 -9.025 -14.089 10.427
123 HB3 ASP 14 HB3 ASP 14 -8.272 -12.557 10.005
124 HN1 NH2 15 HN1 NH2 15 -5.874 -14.731 13.261
125 HN2 NH2 15 HN2 NH2 15 -6.902 -15.992 13.907
Start of MODEL 4
1 H1 TRP 1 H1 TRP 1 1.271 2.408 -0.038
2 H2 TRP 1 H2 TRP 1 0.988 3.968 -0.501
3 H3 TRP 1 H3 TRP 1 -0.214 3.071 0.188
4 HA TRP 1 HA TRP 1 2.265 3.916 1.502
5 HB2 TRP 1 HB2 TRP 1 0.681 5.756 1.051
6 HB3 TRP 1 HB3 TRP 1 -0.578 4.877 1.922
7 HD1 TRP 1 HD1 TRP 1 2.741 6.702 2.504
8 HE1 TRP 1 HE1 TRP 1 2.910 7.466 4.926
9 HE3 TRP 1 HE3 TRP 1 -1.484 4.494 4.338
10 HZ2 TRP 1 HZ2 TRP 1 1.437 7.117 7.380
11 HZ3 TRP 1 HZ3 TRP 1 -2.065 4.711 6.732
12 HH2 TRP 1 HH2 TRP 1 -0.611 6.016 8.267
13 H TYR 2 H TYR 2 1.765 3.753 4.028
14 HA TYR 2 HA TYR 2 1.880 1.055 4.559
15 HB2 TYR 2 HB2 TYR 2 3.035 2.370 5.984
16 HB3 TYR 2 HB3 TYR 2 1.701 3.492 6.228
17 HD1 TYR 2 HD1 TYR 2 -0.181 2.946 7.725
18 HD2 TYR 2 HD2 TYR 2 3.291 0.430 7.414
19 HE1 TYR 2 HE1 TYR 2 -0.796 1.846 9.856
20 HE2 TYR 2 HE2 TYR 2 2.701 -0.671 9.551
21 HH TYR 2 HH TYR 2 -0.219 0.270 11.415
22 H HIS 3 H HIS 3 -1.143 2.650 4.161
23 HA HIS 3 HA HIS 3 -2.627 0.969 5.948
24 HB2 HIS 3 HB2 HIS 3 -4.578 1.688 4.682
25 HB3 HIS 3 HB3 HIS 3 -3.503 3.049 5.033
26 HD2 HIS 3 HD2 HIS 3 -3.216 4.657 3.062
27 HE1 HIS 3 HE1 HIS 3 -3.941 1.998 -0.177
28 HE2 HIS 3 HE2 HIS 3 -3.432 4.415 0.464
29 H ARG 4 H ARG 4 -1.126 0.377 2.862
30 HA ARG 4 HA ARG 4 -2.690 -2.033 2.312
31 HB2 ARG 4 HB2 ARG 4 -0.229 -0.744 1.115
32 HB3 ARG 4 HB3 ARG 4 -0.626 -2.419 0.720
33 HG2 ARG 4 HG2 ARG 4 -2.567 -0.103 0.355
34 HG3 ARG 4 HG3 ARG 4 -1.545 -0.793 -0.924
35 HD2 ARG 4 HD2 ARG 4 -2.586 -3.029 -0.513
36 HD3 ARG 4 HD3 ARG 4 -3.666 -2.291 0.670
37 HE ARG 4 HE ARG 4 -4.808 -1.122 -1.048
38 HH11 ARG 4 HH11 ARG 4 -2.235 -3.203 -2.331
39 HH12 ARG 4 HH12 ARG 4 -2.895 -3.198 -3.950
40 HH21 ARG 4 HH21 ARG 4 -5.636 -1.158 -3.156
41 HH22 ARG 4 HH22 ARG 4 -4.805 -2.039 -4.420
42 H LEU 5 H LEU 5 0.239 -1.267 4.132
43 HA LEU 5 HA LEU 5 1.033 -4.059 4.359
44 HB2 LEU 5 HB2 LEU 5 1.660 -1.497 5.897
45 HB3 LEU 5 HB3 LEU 5 2.301 -3.062 6.390
46 HG LEU 5 HG LEU 5 2.726 -1.846 3.618
47 HD11 LEU 5 HD11 LEU 5 4.576 -1.918 6.040
48 HD12 LEU 5 HD12 LEU 5 5.013 -1.346 4.415
49 HD13 LEU 5 HD13 LEU 5 3.789 -0.474 5.361
50 HD21 LEU 5 HD21 LEU 5 4.044 -4.190 5.061
51 HD22 LEU 5 HD22 LEU 5 2.945 -4.305 3.667
52 HD23 LEU 5 HD23 LEU 5 4.538 -3.547 3.483
53 H SER 6 H SER 6 -0.852 -1.737 6.290
54 HA SER 6 HA SER 6 -1.494 -3.471 8.452
55 HB2 SER 6 HB2 SER 6 -3.105 -1.213 7.187
56 HB3 SER 6 HB3 SER 6 -3.430 -1.949 8.772
57 HG SER 6 HG SER 6 -1.074 -0.578 7.979
58 H HIS 7 H HIS 7 -2.629 -3.395 5.126
59 HA HIS 7 HA HIS 7 -5.027 -4.968 5.609
60 HB2 HIS 7 HB2 HIS 7 -4.520 -3.382 3.651
61 HB3 HIS 7 HB3 HIS 7 -3.470 -4.650 3.019
62 HD2 HIS 7 HD2 HIS 7 -6.995 -3.504 2.898
63 HE1 HIS 7 HE1 HIS 7 -7.158 -7.546 1.588
64 HE2 HIS 7 HE2 HIS 7 -8.451 -5.366 1.750
65 H ILE 8 H ILE 8 -1.656 -5.596 4.596
66 HA ILE 8 HA ILE 8 -2.071 -8.391 4.069
67 HB ILE 8 HB ILE 8 0.398 -6.701 4.571
68 HG12 ILE 8 HG12 ILE 8 -0.693 -8.009 2.035
69 HG13 ILE 8 HG13 ILE 8 -0.989 -6.326 2.490
70 HG21 ILE 8 HG21 ILE 8 0.890 -9.029 5.245
71 HG22 ILE 8 HG22 ILE 8 0.236 -9.617 3.697
72 HG23 ILE 8 HG23 ILE 8 1.719 -8.628 3.737
73 HD11 ILE 8 HD11 ILE 8 0.851 -6.411 0.905
74 HD12 ILE 8 HD12 ILE 8 1.457 -5.889 2.487
75 HD13 ILE 8 HD13 ILE 8 1.736 -7.560 1.913
76 H HIS 9 H HIS 9 -0.793 -6.593 6.943
77 HA HIS 9 HA HIS 9 -0.286 -8.973 8.452
78 HB2 HIS 9 HB2 HIS 9 -0.897 -6.178 9.459
79 HB3 HIS 9 HB3 HIS 9 -0.068 -7.464 10.348
80 HD2 HIS 9 HD2 HIS 9 0.893 -4.384 8.989
81 HE1 HIS 9 HE1 HIS 9 4.019 -6.868 7.522
82 HE2 HIS 9 HE2 HIS 9 3.294 -4.459 7.943
83 H SER 10 H SER 10 -3.274 -7.263 7.729
84 HA SER 10 HA SER 10 -4.715 -8.110 10.056
85 HB2 SER 10 HB2 SER 10 -5.478 -6.297 8.575
86 HB3 SER 10 HB3 SER 10 -5.674 -7.457 7.242
87 HG SER 10 HG SER 10 -7.077 -7.448 9.713
88 H ARG 11 H ARG 11 -3.721 -9.760 7.102
89 HA ARG 11 HA ARG 11 -5.660 -11.903 7.297
90 HB2 ARG 11 HB2 ARG 11 -2.946 -11.752 5.914
91 HB3 ARG 11 HB3 ARG 11 -4.160 -13.022 5.677
92 HG2 ARG 11 HG2 ARG 11 -5.778 -11.343 4.850
93 HG3 ARG 11 HG3 ARG 11 -4.586 -10.051 5.105
94 HD2 ARG 11 HD2 ARG 11 -4.607 -10.688 2.750
95 HD3 ARG 11 HD3 ARG 11 -3.064 -11.139 3.486
96 HE ARG 11 HE ARG 11 -3.570 -13.399 3.235
97 HH11 ARG 11 HH11 ARG 11 -6.388 -11.431 2.393
98 HH12 ARG 11 HH12 ARG 11 -7.257 -12.775 1.687
99 HH21 ARG 11 HH21 ARG 11 -4.731 -15.125 2.303
100 HH22 ARG 11 HH22 ARG 11 -6.311 -14.847 1.613
101 H LEU 12 H LEU 12 -2.571 -11.194 8.828
102 HA LEU 12 HA LEU 12 -2.246 -13.934 9.839
103 HB2 LEU 12 HB2 LEU 12 -0.287 -12.703 9.274
104 HB3 LEU 12 HB3 LEU 12 -0.769 -11.301 10.231
105 HG LEU 12 HG LEU 12 -0.405 -13.950 11.633
106 HD11 LEU 12 HD11 LEU 12 1.836 -12.076 10.771
107 HD12 LEU 12 HD12 LEU 12 2.002 -13.445 11.897
108 HD13 LEU 12 HD13 LEU 12 1.579 -13.741 10.197
109 HD21 LEU 12 HD21 LEU 12 0.237 -11.053 12.370
110 HD22 LEU 12 HD22 LEU 12 -1.196 -11.954 12.917
111 HD23 LEU 12 HD23 LEU 12 0.420 -12.464 13.435
112 H GLN 13 H GLN 13 -3.619 -10.847 10.839
113 HA GLN 13 HA GLN 13 -3.905 -11.652 13.632
114 HB2 GLN 13 HB2 GLN 13 -5.032 -9.338 12.023
115 HB3 GLN 13 HB3 GLN 13 -5.270 -9.550 13.766
116 HG2 GLN 13 HG2 GLN 13 -2.896 -9.389 14.194
117 HG3 GLN 13 HG3 GLN 13 -2.516 -9.423 12.467
118 HE21 GLN 13 HE21 GLN 13 -5.278 -7.555 13.701
119 HE22 GLN 13 HE22 GLN 13 -4.559 -5.978 13.427
120 H ASP 14 H ASP 14 -5.913 -11.735 10.695
121 HA ASP 14 HA ASP 14 -8.268 -12.553 12.151
122 HB2 ASP 14 HB2 ASP 14 -7.626 -12.392 9.213
123 HB3 ASP 14 HB3 ASP 14 -9.138 -13.083 9.827
124 HN1 NH2 15 HN1 NH2 15 -5.517 -14.264 11.843
125 HN2 NH2 15 HN2 NH2 15 -6.201 -15.874 11.768
Start of MODEL 5
1 H1 TRP 1 H1 TRP 1 0.722 4.427 -0.108
2 H2 TRP 1 H2 TRP 1 -0.442 3.407 0.452
3 H3 TRP 1 H3 TRP 1 1.108 2.875 0.285
4 HA TRP 1 HA TRP 1 1.882 4.364 1.969
5 HB2 TRP 1 HB2 TRP 1 0.155 6.085 1.528
6 HB3 TRP 1 HB3 TRP 1 -1.059 5.045 2.263
7 HD1 TRP 1 HD1 TRP 1 2.067 7.085 3.157
8 HE1 TRP 1 HE1 TRP 1 2.033 7.717 5.621
9 HE3 TRP 1 HE3 TRP 1 -2.072 4.451 4.605
10 HZ2 TRP 1 HZ2 TRP 1 0.438 7.124 7.963
11 HZ3 TRP 1 HZ3 TRP 1 -2.805 4.490 6.969
12 HH2 TRP 1 HH2 TRP 1 -1.564 5.816 8.653
13 H TYR 2 H TYR 2 1.244 4.004 4.457
14 HA TYR 2 HA TYR 2 1.594 1.294 4.814
15 HB2 TYR 2 HB2 TYR 2 2.526 2.580 6.419
16 HB3 TYR 2 HB3 TYR 2 1.075 3.556 6.650
17 HD1 TYR 2 HD1 TYR 2 -0.823 2.757 7.985
18 HD2 TYR 2 HD2 TYR 2 2.835 0.517 7.679
19 HE1 TYR 2 HE1 TYR 2 -1.492 1.406 9.956
20 HE2 TYR 2 HE2 TYR 2 2.172 -0.838 9.651
21 HH TYR 2 HH TYR 2 -0.917 -0.295 11.380
22 H HIS 3 H HIS 3 -1.538 2.641 4.345
23 HA HIS 3 HA HIS 3 -2.966 0.771 5.960
24 HB2 HIS 3 HB2 HIS 3 -4.902 1.371 4.614
25 HB3 HIS 3 HB3 HIS 3 -3.970 2.802 5.062
26 HD2 HIS 3 HD2 HIS 3 -3.721 4.496 3.162
27 HE1 HIS 3 HE1 HIS 3 -4.056 1.905 -0.194
28 HE2 HIS 3 HE2 HIS 3 -3.794 4.332 0.546
29 H ARG 4 H ARG 4 -1.259 0.406 2.943
30 HA ARG 4 HA ARG 4 -2.585 -2.119 2.284
31 HB2 ARG 4 HB2 ARG 4 -0.242 -0.577 1.153
32 HB3 ARG 4 HB3 ARG 4 -0.475 -2.269 0.707
33 HG2 ARG 4 HG2 ARG 4 -2.613 -0.128 0.391
34 HG3 ARG 4 HG3 ARG 4 -1.538 -0.691 -0.900
35 HD2 ARG 4 HD2 ARG 4 -2.393 -3.015 -0.585
36 HD3 ARG 4 HD3 ARG 4 -3.519 -2.423 0.638
37 HE ARG 4 HE ARG 4 -4.817 -1.367 -1.008
38 HH11 ARG 4 HH11 ARG 4 -1.960 -2.891 -2.434
39 HH12 ARG 4 HH12 ARG 4 -2.582 -2.775 -4.068
40 HH21 ARG 4 HH21 ARG 4 -5.594 -1.249 -3.132
41 HH22 ARG 4 HH22 ARG 4 -4.626 -1.854 -4.461
42 H LEU 5 H LEU 5 0.028 -1.190 4.395
43 HA LEU 5 HA LEU 5 1.073 -3.939 4.477
44 HB2 LEU 5 HB2 LEU 5 1.560 -1.379 6.066
45 HB3 LEU 5 HB3 LEU 5 2.262 -2.920 6.552
46 HG LEU 5 HG LEU 5 2.677 -1.641 3.809
47 HD11 LEU 5 HD11 LEU 5 4.481 -1.730 6.261
48 HD12 LEU 5 HD12 LEU 5 4.936 -1.097 4.661
49 HD13 LEU 5 HD13 LEU 5 3.674 -0.285 5.609
50 HD21 LEU 5 HD21 LEU 5 2.981 -4.091 3.796
51 HD22 LEU 5 HD22 LEU 5 4.552 -3.283 3.670
52 HD23 LEU 5 HD23 LEU 5 4.043 -3.984 5.224
53 H SER 6 H SER 6 -0.916 -1.760 6.485
54 HA SER 6 HA SER 6 -1.522 -3.606 8.545
55 HB2 SER 6 HB2 SER 6 -2.053 -1.201 8.651
56 HB3 SER 6 HB3 SER 6 -3.215 -1.390 7.322
57 HG SER 6 HG SER 6 -3.331 -2.604 9.885
58 H HIS 7 H HIS 7 -2.660 -3.379 5.209
59 HA HIS 7 HA HIS 7 -4.944 -5.104 5.483
60 HB2 HIS 7 HB2 HIS 7 -4.583 -3.567 3.580
61 HB3 HIS 7 HB3 HIS 7 -3.137 -4.463 3.120
62 HD2 HIS 7 HD2 HIS 7 -3.490 -6.087 1.189
63 HE1 HIS 7 HE1 HIS 7 -7.561 -7.145 1.814
64 HE2 HIS 7 HE2 HIS 7 -5.527 -7.486 0.325
65 H ILE 8 H ILE 8 -1.490 -5.614 4.610
66 HA ILE 8 HA ILE 8 -1.833 -8.399 4.019
67 HB ILE 8 HB ILE 8 0.579 -6.666 4.620
68 HG12 ILE 8 HG12 ILE 8 -0.382 -7.964 2.035
69 HG13 ILE 8 HG13 ILE 8 -0.801 -6.313 2.518
70 HG21 ILE 8 HG21 ILE 8 1.975 -8.526 3.787
71 HG22 ILE 8 HG22 ILE 8 1.119 -8.991 5.256
72 HG23 ILE 8 HG23 ILE 8 0.534 -9.562 3.675
73 HD11 ILE 8 HD11 ILE 8 1.622 -5.728 2.603
74 HD12 ILE 8 HD12 ILE 8 2.017 -7.361 2.014
75 HD13 ILE 8 HD13 ILE 8 1.091 -6.245 0.991
76 H HIS 9 H HIS 9 -0.733 -6.637 6.983
77 HA HIS 9 HA HIS 9 -0.180 -9.065 8.426
78 HB2 HIS 9 HB2 HIS 9 -0.849 -6.315 9.526
79 HB3 HIS 9 HB3 HIS 9 0.031 -7.614 10.350
80 HD2 HIS 9 HD2 HIS 9 0.878 -4.451 9.113
81 HE1 HIS 9 HE1 HIS 9 4.090 -6.769 7.562
82 HE2 HIS 9 HE2 HIS 9 3.290 -4.407 8.088
83 H SER 10 H SER 10 -3.165 -7.242 7.826
84 HA SER 10 HA SER 10 -4.612 -8.235 10.086
85 HB2 SER 10 HB2 SER 10 -5.346 -6.296 8.804
86 HB3 SER 10 HB3 SER 10 -5.559 -7.308 7.351
87 HG SER 10 HG SER 10 -7.508 -6.964 8.495
88 H ARG 11 H ARG 11 -3.705 -9.697 7.029
89 HA ARG 11 HA ARG 11 -5.731 -11.750 7.043
90 HB2 ARG 11 HB2 ARG 11 -3.036 -11.532 5.652
91 HB3 ARG 11 HB3 ARG 11 -4.223 -12.826 5.364
92 HG2 ARG 11 HG2 ARG 11 -5.906 -11.143 4.672
93 HG3 ARG 11 HG3 ARG 11 -4.748 -9.844 4.985
94 HD2 ARG 11 HD2 ARG 11 -4.817 -10.315 2.601
95 HD3 ARG 11 HD3 ARG 11 -3.240 -10.779 3.253
96 HE ARG 11 HE ARG 11 -5.458 -12.709 2.632
97 HH11 ARG 11 HH11 ARG 11 -2.002 -11.936 2.795
98 HH12 ARG 11 HH12 ARG 11 -1.520 -13.492 2.163
99 HH21 ARG 11 HH21 ARG 11 -4.785 -14.722 1.833
100 HH22 ARG 11 HH22 ARG 11 -3.084 -15.062 1.628
101 H LEU 12 H LEU 12 -3.072 -11.246 9.052
102 HA LEU 12 HA LEU 12 -3.038 -14.128 9.829
103 HB2 LEU 12 HB2 LEU 12 -0.937 -13.532 8.881
104 HB3 LEU 12 HB3 LEU 12 -0.844 -12.026 9.790
105 HG LEU 12 HG LEU 12 -1.020 -14.602 11.342
106 HD11 LEU 12 HD11 LEU 12 1.489 -13.559 9.962
107 HD12 LEU 12 HD12 LEU 12 1.439 -14.867 11.162
108 HD13 LEU 12 HD13 LEU 12 0.639 -15.072 9.584
109 HD21 LEU 12 HD21 LEU 12 0.608 -12.033 11.674
110 HD22 LEU 12 HD22 LEU 12 -0.911 -12.383 12.525
111 HD23 LEU 12 HD23 LEU 12 0.528 -13.376 12.837
112 H GLN 13 H GLN 13 -3.664 -10.844 10.698
113 HA GLN 13 HA GLN 13 -3.655 -11.468 13.590
114 HB2 GLN 13 HB2 GLN 13 -3.950 -8.865 12.050
115 HB3 GLN 13 HB3 GLN 13 -4.075 -8.993 13.812
116 HG2 GLN 13 HG2 GLN 13 -1.808 -9.865 13.983
117 HG3 GLN 13 HG3 GLN 13 -1.649 -9.914 12.223
118 HE21 GLN 13 HE21 GLN 13 0.309 -8.584 13.419
119 HE22 GLN 13 HE22 GLN 13 0.101 -6.846 13.292
120 H ASP 14 H ASP 14 -5.876 -11.585 11.014
121 HA ASP 14 HA ASP 14 -8.203 -10.738 12.436
122 HB2 ASP 14 HB2 ASP 14 -9.436 -12.019 10.647
123 HB3 ASP 14 HB3 ASP 14 -8.368 -10.716 10.108
124 HN1 NH2 15 HN1 NH2 15 -6.287 -13.325 13.220
125 HN2 NH2 15 HN2 NH2 15 -7.511 -14.327 13.977
Start of MODEL 6
1 H1 TRP 1 H1 TRP 1 3.920 -0.504 -4.098
2 H2 TRP 1 H2 TRP 1 5.300 0.389 -4.157
3 H3 TRP 1 H3 TRP 1 3.849 1.129 -3.901
4 HA TRP 1 HA TRP 1 5.153 -0.767 -2.087
5 HB2 TRP 1 HB2 TRP 1 6.292 1.389 -2.147
6 HB3 TRP 1 HB3 TRP 1 4.751 2.216 -1.880
7 HD1 TRP 1 HD1 TRP 1 7.228 -0.063 -0.036
8 HE1 TRP 1 HE1 TRP 1 6.992 0.264 2.474
9 HE3 TRP 1 HE3 TRP 1 3.178 3.054 -0.023
10 HZ2 TRP 1 HZ2 TRP 1 5.270 1.733 4.291
11 HZ3 TRP 1 HZ3 TRP 1 2.278 3.919 2.116
12 HH2 TRP 1 HH2 TRP 1 3.302 3.257 4.274
13 H TYR 2 H TYR 2 3.888 -1.622 -0.487
14 HA TYR 2 HA TYR 2 1.068 -1.083 -0.737
15 HB2 TYR 2 HB2 TYR 2 2.574 -3.132 0.810
16 HB3 TYR 2 HB3 TYR 2 0.859 -2.813 1.101
17 HD1 TYR 2 HD1 TYR 2 3.077 -4.777 -0.804
18 HD2 TYR 2 HD2 TYR 2 -0.643 -2.634 -1.092
19 HE1 TYR 2 HE1 TYR 2 2.428 -6.167 -2.753
20 HE2 TYR 2 HE2 TYR 2 -1.293 -4.002 -3.039
21 HH TYR 2 HH TYR 2 0.841 -6.576 -4.349
22 H HIS 3 H HIS 3 0.268 0.685 -0.074
23 HA HIS 3 HA HIS 3 0.943 1.845 2.516
24 HB2 HIS 3 HB2 HIS 3 -0.744 3.513 1.860
25 HB3 HIS 3 HB3 HIS 3 0.420 3.167 0.554
26 HD2 HIS 3 HD2 HIS 3 -0.554 2.627 -1.759
27 HE1 HIS 3 HE1 HIS 3 -4.580 1.799 -0.664
28 HE2 HIS 3 HE2 HIS 3 -2.965 2.067 -2.617
29 H ARG 4 H ARG 4 -1.332 -0.489 1.344
30 HA ARG 4 HA ARG 4 -3.117 -0.239 3.656
31 HB2 ARG 4 HB2 ARG 4 -4.317 -2.120 2.667
32 HB3 ARG 4 HB3 ARG 4 -4.067 -0.832 1.482
33 HG2 ARG 4 HG2 ARG 4 -2.341 -2.055 0.358
34 HG3 ARG 4 HG3 ARG 4 -2.194 -3.221 1.692
35 HD2 ARG 4 HD2 ARG 4 -3.440 -4.246 -0.123
36 HD3 ARG 4 HD3 ARG 4 -4.485 -4.011 1.289
37 HE ARG 4 HE ARG 4 -4.470 -2.149 -1.067
38 HH11 ARG 4 HH11 ARG 4 -6.278 -4.106 1.287
39 HH12 ARG 4 HH12 ARG 4 -7.825 -3.506 0.738
40 HH21 ARG 4 HH21 ARG 4 -6.517 -1.416 -1.739
41 HH22 ARG 4 HH22 ARG 4 -7.957 -2.025 -0.957
42 H LEU 5 H LEU 5 -0.284 -0.759 4.251
43 HA LEU 5 HA LEU 5 0.289 -3.480 4.643
44 HB2 LEU 5 HB2 LEU 5 1.965 -1.716 4.793
45 HB3 LEU 5 HB3 LEU 5 1.132 -0.983 6.167
46 HG LEU 5 HG LEU 5 1.619 -2.995 7.544
47 HD11 LEU 5 HD11 LEU 5 1.776 -4.693 5.769
48 HD12 LEU 5 HD12 LEU 5 3.198 -3.875 5.084
49 HD13 LEU 5 HD13 LEU 5 3.287 -4.633 6.695
50 HD21 LEU 5 HD21 LEU 5 4.049 -1.775 6.187
51 HD22 LEU 5 HD22 LEU 5 3.137 -1.049 7.530
52 HD23 LEU 5 HD23 LEU 5 4.022 -2.565 7.785
53 H SER 6 H SER 6 -1.806 -1.359 6.557
54 HA SER 6 HA SER 6 -1.818 -2.941 8.936
55 HB2 SER 6 HB2 SER 6 -2.626 -0.633 8.862
56 HB3 SER 6 HB3 SER 6 -3.918 -1.098 7.739
57 HG SER 6 HG SER 6 -4.606 -0.993 9.930
58 H HIS 7 H HIS 7 -3.288 -3.422 5.793
59 HA HIS 7 HA HIS 7 -5.364 -5.236 6.679
60 HB2 HIS 7 HB2 HIS 7 -5.284 -3.822 4.556
61 HB3 HIS 7 HB3 HIS 7 -4.069 -4.942 3.942
62 HD2 HIS 7 HD2 HIS 7 -6.674 -6.847 5.857
63 HE1 HIS 7 HE1 HIS 7 -7.988 -6.969 1.813
64 HE2 HIS 7 HE2 HIS 7 -8.325 -7.941 4.143
65 H ILE 8 H ILE 8 -1.955 -5.471 5.659
66 HA ILE 8 HA ILE 8 -2.026 -8.283 5.094
67 HB ILE 8 HB ILE 8 0.283 -6.418 5.760
68 HG12 ILE 8 HG12 ILE 8 -0.908 -7.371 3.115
69 HG13 ILE 8 HG13 ILE 8 -1.021 -5.734 3.793
70 HG21 ILE 8 HG21 ILE 8 0.867 -8.808 6.111
71 HG22 ILE 8 HG22 ILE 8 0.293 -9.181 4.468
72 HG23 ILE 8 HG23 ILE 8 1.713 -8.136 4.715
73 HD11 ILE 8 HD11 ILE 8 1.466 -5.538 3.658
74 HD12 ILE 8 HD12 ILE 8 1.523 -7.131 2.866
75 HD13 ILE 8 HD13 ILE 8 0.686 -5.780 2.077
76 H HIS 9 H HIS 9 -1.386 -6.357 8.045
77 HA HIS 9 HA HIS 9 -0.523 -8.615 9.619
78 HB2 HIS 9 HB2 HIS 9 -1.667 -5.903 10.359
79 HB3 HIS 9 HB3 HIS 9 -1.091 -7.086 11.537
80 HD2 HIS 9 HD2 HIS 9 1.304 -6.716 12.315
81 HE1 HIS 9 HE1 HIS 9 2.932 -4.784 8.898
82 HE2 HIS 9 HE2 HIS 9 3.424 -5.592 11.255
83 H SER 10 H SER 10 -3.684 -7.369 8.636
84 HA SER 10 HA SER 10 -5.140 -8.883 10.658
85 HB2 SER 10 HB2 SER 10 -6.051 -6.814 9.644
86 HB3 SER 10 HB3 SER 10 -6.038 -7.613 8.049
87 HG SER 10 HG SER 10 -7.527 -8.387 10.335
88 H ARG 11 H ARG 11 -4.083 -9.377 7.281
89 HA ARG 11 HA ARG 11 -5.539 -11.853 6.915
90 HB2 ARG 11 HB2 ARG 11 -3.122 -10.627 5.529
91 HB3 ARG 11 HB3 ARG 11 -3.893 -12.144 5.024
92 HG2 ARG 11 HG2 ARG 11 -6.009 -10.995 4.612
93 HG3 ARG 11 HG3 ARG 11 -5.360 -9.476 5.256
94 HD2 ARG 11 HD2 ARG 11 -5.334 -9.431 2.809
95 HD3 ARG 11 HD3 ARG 11 -3.686 -9.421 3.436
96 HE ARG 11 HE ARG 11 -3.322 -11.576 2.590
97 HH11 ARG 11 HH11 ARG 11 -6.705 -10.646 2.155
98 HH12 ARG 11 HH12 ARG 11 -7.038 -11.962 1.050
99 HH21 ARG 11 HH21 ARG 11 -3.785 -13.266 1.158
100 HH22 ARG 11 HH22 ARG 11 -5.389 -13.437 0.485
101 H LEU 12 H LEU 12 -2.484 -10.967 8.423
102 HA LEU 12 HA LEU 12 -1.514 -13.710 8.601
103 HB2 LEU 12 HB2 LEU 12 0.033 -11.870 8.531
104 HB3 LEU 12 HB3 LEU 12 -0.721 -11.078 9.914
105 HG LEU 12 HG LEU 12 0.375 -13.860 10.290
106 HD11 LEU 12 HD11 LEU 12 2.033 -11.309 10.207
107 HD12 LEU 12 HD12 LEU 12 2.604 -12.905 10.746
108 HD13 LEU 12 HD13 LEU 12 2.137 -12.652 9.047
109 HD21 LEU 12 HD21 LEU 12 0.348 -11.334 12.012
110 HD22 LEU 12 HD22 LEU 12 -0.773 -12.703 12.186
111 HD23 LEU 12 HD23 LEU 12 0.953 -12.923 12.522
112 H GLN 13 H GLN 13 -3.555 -11.547 10.521
113 HA GLN 13 HA GLN 13 -3.519 -13.266 12.872
114 HB2 GLN 13 HB2 GLN 13 -3.819 -10.858 13.085
115 HB3 GLN 13 HB3 GLN 13 -5.263 -10.903 12.051
116 HG2 GLN 13 HG2 GLN 13 -6.472 -12.247 13.684
117 HG3 GLN 13 HG3 GLN 13 -5.012 -12.383 14.687
118 HE21 GLN 13 HE21 GLN 13 -6.964 -11.505 16.147
119 HE22 GLN 13 HE22 GLN 13 -6.959 -9.764 16.346
120 H ASP 14 H ASP 14 -5.669 -12.717 10.071
121 HA ASP 14 HA ASP 14 -7.636 -14.596 11.032
122 HB2 ASP 14 HB2 ASP 14 -7.312 -13.114 8.431
123 HB3 ASP 14 HB3 ASP 14 -8.579 -14.314 8.690
124 HN1 NH2 15 HN1 NH2 15 -4.619 -15.297 10.017
125 HN2 NH2 15 HN2 NH2 15 -4.931 -16.864 9.287
Start of MODEL 7
1 H1 TRP 1 H1 TRP 1 -0.715 1.718 -1.849
2 H2 TRP 1 H2 TRP 1 0.661 0.886 -2.190
3 H3 TRP 1 H3 TRP 1 0.304 2.258 -3.027
4 HA TRP 1 HA TRP 1 2.034 2.669 -1.453
5 HB2 TRP 1 HB2 TRP 1 0.437 4.452 -2.064
6 HB3 TRP 1 HB3 TRP 1 -0.604 3.981 -0.729
7 HD1 TRP 1 HD1 TRP 1 2.816 5.558 -1.430
8 HE1 TRP 1 HE1 TRP 1 3.574 6.953 0.559
9 HE3 TRP 1 HE3 TRP 1 -0.934 4.385 1.840
10 HZ2 TRP 1 HZ2 TRP 1 2.692 7.467 3.269
11 HZ3 TRP 1 HZ3 TRP 1 -0.937 5.333 4.127
12 HH2 TRP 1 HH2 TRP 1 0.874 6.865 4.859
13 H TYR 2 H TYR 2 2.225 3.296 1.021
14 HA TYR 2 HA TYR 2 2.416 0.864 2.295
15 HB2 TYR 2 HB2 TYR 2 3.948 2.411 2.920
16 HB3 TYR 2 HB3 TYR 2 2.743 3.677 3.174
17 HD1 TYR 2 HD1 TYR 2 1.415 3.824 5.196
18 HD2 TYR 2 HD2 TYR 2 4.455 0.826 4.716
19 HE1 TYR 2 HE1 TYR 2 1.340 3.381 7.625
20 HE2 TYR 2 HE2 TYR 2 4.400 0.378 7.159
21 HH TYR 2 HH TYR 2 2.190 2.142 9.365
22 H HIS 3 H HIS 3 -0.556 2.571 2.212
23 HA HIS 3 HA HIS 3 -1.561 1.816 4.768
24 HB2 HIS 3 HB2 HIS 3 -3.762 2.225 3.799
25 HB3 HIS 3 HB3 HIS 3 -2.616 3.480 3.302
26 HD2 HIS 3 HD2 HIS 3 -2.892 4.143 0.846
27 HE1 HIS 3 HE1 HIS 3 -4.321 0.473 -0.765
28 HE2 HIS 3 HE2 HIS 3 -3.722 2.899 -1.302
29 H ARG 4 H ARG 4 -0.833 -0.093 1.986
30 HA ARG 4 HA ARG 4 -2.701 -2.229 2.440
31 HB2 ARG 4 HB2 ARG 4 -0.081 -1.951 0.937
32 HB3 ARG 4 HB3 ARG 4 -0.867 -3.528 1.090
33 HG2 ARG 4 HG2 ARG 4 -2.207 -1.062 -0.085
34 HG3 ARG 4 HG3 ARG 4 -1.452 -2.368 -1.019
35 HD2 ARG 4 HD2 ARG 4 -2.983 -4.000 0.116
36 HD3 ARG 4 HD3 ARG 4 -3.820 -2.647 0.877
37 HE ARG 4 HE ARG 4 -3.645 -3.079 -2.094
38 HH11 ARG 4 HH11 ARG 4 -5.456 -1.972 0.749
39 HH12 ARG 4 HH12 ARG 4 -6.880 -1.576 -0.186
40 HH21 ARG 4 HH21 ARG 4 -5.505 -2.542 -3.262
41 HH22 ARG 4 HH22 ARG 4 -6.902 -1.885 -2.435
42 H LEU 5 H LEU 5 0.101 -1.324 4.254
43 HA LEU 5 HA LEU 5 0.838 -3.990 5.054
44 HB2 LEU 5 HB2 LEU 5 1.304 -1.164 6.043
45 HB3 LEU 5 HB3 LEU 5 1.625 -2.488 7.157
46 HG LEU 5 HG LEU 5 3.643 -1.742 5.933
47 HD11 LEU 5 HD11 LEU 5 2.794 -4.579 5.228
48 HD12 LEU 5 HD12 LEU 5 4.457 -3.962 5.332
49 HD13 LEU 5 HD13 LEU 5 3.453 -4.045 6.797
50 HD21 LEU 5 HD21 LEU 5 3.938 -2.299 3.564
51 HD22 LEU 5 HD22 LEU 5 2.268 -2.885 3.463
52 HD23 LEU 5 HD23 LEU 5 2.589 -1.158 3.772
53 H SER 6 H SER 6 -1.488 -1.593 6.252
54 HA SER 6 HA SER 6 -2.259 -3.022 8.610
55 HB2 SER 6 HB2 SER 6 -3.782 -1.026 6.886
56 HB3 SER 6 HB3 SER 6 -4.260 -1.557 8.513
57 HG SER 6 HG SER 6 -3.061 0.398 8.541
58 H HIS 7 H HIS 7 -2.668 -3.838 5.322
59 HA HIS 7 HA HIS 7 -5.175 -5.340 5.817
60 HB2 HIS 7 HB2 HIS 7 -4.669 -3.826 3.774
61 HB3 HIS 7 HB3 HIS 7 -3.610 -5.126 3.228
62 HD2 HIS 7 HD2 HIS 7 -7.166 -4.020 3.122
63 HE1 HIS 7 HE1 HIS 7 -7.300 -8.119 1.993
64 HE2 HIS 7 HE2 HIS 7 -8.620 -5.945 2.099
65 H ILE 8 H ILE 8 -1.708 -5.738 5.127
66 HA ILE 8 HA ILE 8 -1.887 -8.594 4.679
67 HB ILE 8 HB ILE 8 0.408 -6.683 5.203
68 HG12 ILE 8 HG12 ILE 8 -0.445 -8.158 2.676
69 HG13 ILE 8 HG13 ILE 8 -0.920 -6.497 3.054
70 HG21 ILE 8 HG21 ILE 8 0.518 -9.630 4.423
71 HG22 ILE 8 HG22 ILE 8 1.911 -8.532 4.498
72 HG23 ILE 8 HG23 ILE 8 1.047 -8.952 5.980
73 HD11 ILE 8 HD11 ILE 8 0.991 -6.448 1.561
74 HD12 ILE 8 HD12 ILE 8 1.472 -5.829 3.155
75 HD13 ILE 8 HD13 ILE 8 1.932 -7.477 2.653
76 H HIS 9 H HIS 9 -0.933 -6.508 7.461
77 HA HIS 9 HA HIS 9 -0.274 -8.770 9.130
78 HB2 HIS 9 HB2 HIS 9 -0.774 -5.829 9.673
79 HB3 HIS 9 HB3 HIS 9 -0.366 -6.995 10.943
80 HD2 HIS 9 HD2 HIS 9 2.115 -6.966 11.528
81 HE1 HIS 9 HE1 HIS 9 3.788 -6.068 7.720
82 HE2 HIS 9 HE2 HIS 9 4.319 -6.558 10.168
83 H SER 10 H SER 10 -3.316 -7.101 8.417
84 HA SER 10 HA SER 10 -4.632 -8.241 10.763
85 HB2 SER 10 HB2 SER 10 -6.664 -7.295 9.805
86 HB3 SER 10 HB3 SER 10 -5.353 -6.094 9.743
87 HG SER 10 HG SER 10 -6.492 -6.224 7.779
88 H ARG 11 H ARG 11 -4.111 -9.123 7.359
89 HA ARG 11 HA ARG 11 -6.020 -11.296 7.343
90 HB2 ARG 11 HB2 ARG 11 -5.242 -10.160 5.310
91 HB3 ARG 11 HB3 ARG 11 -3.580 -10.698 5.622
92 HG2 ARG 11 HG2 ARG 11 -4.269 -13.053 5.382
93 HG3 ARG 11 HG3 ARG 11 -5.956 -12.546 5.150
94 HD2 ARG 11 HD2 ARG 11 -5.301 -11.293 3.118
95 HD3 ARG 11 HD3 ARG 11 -3.619 -11.755 3.366
96 HE ARG 11 HE ARG 11 -4.110 -13.992 2.744
97 HH11 ARG 11 HH11 ARG 11 -6.978 -11.928 2.614
98 HH12 ARG 11 HH12 ARG 11 -7.887 -13.072 1.647
99 HH21 ARG 11 HH21 ARG 11 -5.304 -15.433 1.477
100 HH22 ARG 11 HH22 ARG 11 -6.935 -15.036 0.985
101 H LEU 12 H LEU 12 -2.620 -10.908 8.260
102 HA LEU 12 HA LEU 12 -2.092 -13.741 8.575
103 HB2 LEU 12 HB2 LEU 12 -0.312 -12.198 8.127
104 HB3 LEU 12 HB3 LEU 12 -0.718 -11.187 9.510
105 HG LEU 12 HG LEU 12 -0.025 -14.078 10.023
106 HD11 LEU 12 HD11 LEU 12 1.707 -13.303 8.432
107 HD12 LEU 12 HD12 LEU 12 1.993 -11.869 9.444
108 HD13 LEU 12 HD13 LEU 12 2.375 -13.497 10.067
109 HD21 LEU 12 HD21 LEU 12 0.653 -11.467 11.456
110 HD22 LEU 12 HD22 LEU 12 -0.662 -12.562 11.922
111 HD23 LEU 12 HD23 LEU 12 1.019 -13.107 12.039
112 H GLN 13 H GLN 13 -3.486 -11.173 10.570
113 HA GLN 13 HA GLN 13 -3.288 -12.688 13.049
114 HB2 GLN 13 HB2 GLN 13 -3.271 -10.246 13.071
115 HB3 GLN 13 HB3 GLN 13 -4.819 -10.192 12.227
116 HG2 GLN 13 HG2 GLN 13 -5.169 -9.738 14.589
117 HG3 GLN 13 HG3 GLN 13 -5.924 -11.272 14.178
118 HE21 GLN 13 HE21 GLN 13 -5.785 -11.453 16.626
119 HE22 GLN 13 HE22 GLN 13 -4.322 -12.141 17.303
120 H ASP 14 H ASP 14 -5.641 -12.307 10.436
121 HA ASP 14 HA ASP 14 -7.763 -13.629 11.882
122 HB2 ASP 14 HB2 ASP 14 -7.462 -12.737 9.022
123 HB3 ASP 14 HB3 ASP 14 -8.874 -13.637 9.597
124 HN1 NH2 15 HN1 NH2 15 -4.984 -14.985 10.820
125 HN2 NH2 15 HN2 NH2 15 -5.590 -16.588 10.445
Start of MODEL 8
1 H1 TRP 1 H1 TRP 1 5.413 3.721 -2.639
2 H2 TRP 1 H2 TRP 1 3.842 4.135 -2.385
3 H3 TRP 1 H3 TRP 1 4.211 2.663 -3.023
4 HA TRP 1 HA TRP 1 5.297 1.989 -1.010
5 HB2 TRP 1 HB2 TRP 1 6.014 4.227 -0.309
6 HB3 TRP 1 HB3 TRP 1 4.329 4.674 -0.032
7 HD1 TRP 1 HD1 TRP 1 7.016 2.320 1.393
8 HE1 TRP 1 HE1 TRP 1 6.510 1.835 3.840
9 HE3 TRP 1 HE3 TRP 1 2.515 4.721 1.771
10 HZ2 TRP 1 HZ2 TRP 1 4.422 2.433 5.752
11 HZ3 TRP 1 HZ3 TRP 1 1.302 4.761 3.923
12 HH2 TRP 1 HH2 TRP 1 2.233 3.612 5.918
13 H TYR 2 H TYR 2 4.086 0.510 0.091
14 HA TYR 2 HA TYR 2 1.247 0.690 -0.362
15 HB2 TYR 2 HB2 TYR 2 2.964 -1.506 0.672
16 HB3 TYR 2 HB3 TYR 2 1.195 -1.540 0.811
17 HD1 TYR 2 HD1 TYR 2 -0.123 -0.855 -1.398
18 HD2 TYR 2 HD2 TYR 2 3.862 -2.476 -1.284
19 HE1 TYR 2 HE1 TYR 2 -0.376 -1.624 -3.736
20 HE2 TYR 2 HE2 TYR 2 3.609 -3.271 -3.622
21 HH TYR 2 HH TYR 2 0.602 -2.707 -5.497
22 H HIS 3 H HIS 3 0.107 2.015 0.687
23 HA HIS 3 HA HIS 3 0.386 2.480 3.541
24 HB2 HIS 3 HB2 HIS 3 -1.603 3.905 3.172
25 HB3 HIS 3 HB3 HIS 3 -0.301 4.182 1.982
26 HD2 HIS 3 HD2 HIS 3 -0.973 4.175 -0.490
27 HE1 HIS 3 HE1 HIS 3 -4.754 2.242 -0.208
28 HE2 HIS 3 HE2 HIS 3 -3.119 3.409 -1.783
29 H ARG 4 H ARG 4 -1.284 0.161 1.589
30 HA ARG 4 HA ARG 4 -3.319 -0.494 3.575
31 HB2 ARG 4 HB2 ARG 4 -3.880 -2.327 2.084
32 HB3 ARG 4 HB3 ARG 4 -3.771 -0.811 1.174
33 HG2 ARG 4 HG2 ARG 4 -1.760 -1.439 0.121
34 HG3 ARG 4 HG3 ARG 4 -1.354 -2.628 1.376
35 HD2 ARG 4 HD2 ARG 4 -3.206 -4.058 0.683
36 HD3 ARG 4 HD3 ARG 4 -3.660 -2.898 -0.583
37 HE ARG 4 HE ARG 4 -1.318 -3.304 -1.521
38 HH11 ARG 4 HH11 ARG 4 -3.065 -5.788 0.289
39 HH12 ARG 4 HH12 ARG 4 -2.211 -7.106 -0.486
40 HH21 ARG 4 HH21 ARG 4 -0.243 -5.040 -2.516
41 HH22 ARG 4 HH22 ARG 4 -0.626 -6.683 -2.059
42 H LEU 5 H LEU 5 -0.345 -0.645 4.314
43 HA LEU 5 HA LEU 5 0.485 -3.332 4.427
44 HB2 LEU 5 HB2 LEU 5 1.961 -1.423 4.832
45 HB3 LEU 5 HB3 LEU 5 1.036 -0.977 6.271
46 HG LEU 5 HG LEU 5 1.713 -3.083 7.385
47 HD11 LEU 5 HD11 LEU 5 3.376 -3.481 4.854
48 HD12 LEU 5 HD12 LEU 5 3.542 -4.435 6.344
49 HD13 LEU 5 HD13 LEU 5 2.037 -4.517 5.405
50 HD21 LEU 5 HD21 LEU 5 4.077 -2.485 7.710
51 HD22 LEU 5 HD22 LEU 5 4.030 -1.473 6.243
52 HD23 LEU 5 HD23 LEU 5 3.052 -1.034 7.661
53 H SER 6 H SER 6 -1.872 -1.602 6.428
54 HA SER 6 HA SER 6 -1.854 -3.421 8.632
55 HB2 SER 6 HB2 SER 6 -3.988 -2.341 9.197
56 HB3 SER 6 HB3 SER 6 -2.775 -1.135 8.717
57 HG SER 6 HG SER 6 -4.814 -0.808 7.716
58 H HIS 7 H HIS 7 -3.099 -3.725 5.389
59 HA HIS 7 HA HIS 7 -5.193 -5.630 6.009
60 HB2 HIS 7 HB2 HIS 7 -4.983 -4.092 3.983
61 HB3 HIS 7 HB3 HIS 7 -3.725 -5.177 3.390
62 HD2 HIS 7 HD2 HIS 7 -7.431 -4.684 3.401
63 HE1 HIS 7 HE1 HIS 7 -6.881 -8.672 2.025
64 HE2 HIS 7 HE2 HIS 7 -8.556 -6.766 2.277
65 H ILE 8 H ILE 8 -1.712 -5.753 5.335
66 HA ILE 8 HA ILE 8 -1.676 -8.586 4.796
67 HB ILE 8 HB ILE 8 0.508 -6.602 5.526
68 HG12 ILE 8 HG12 ILE 8 -0.404 -7.805 2.872
69 HG13 ILE 8 HG13 ILE 8 -0.694 -6.143 3.405
70 HG21 ILE 8 HG21 ILE 8 0.750 -9.448 4.460
71 HG22 ILE 8 HG22 ILE 8 2.093 -8.306 4.711
72 HG23 ILE 8 HG23 ILE 8 1.187 -8.911 6.098
73 HD11 ILE 8 HD11 ILE 8 2.014 -7.392 2.804
74 HD12 ILE 8 HD12 ILE 8 1.168 -6.148 1.862
75 HD13 ILE 8 HD13 ILE 8 1.772 -5.763 3.482
76 H HIS 9 H HIS 9 -1.187 -6.532 7.690
77 HA HIS 9 HA HIS 9 -0.388 -8.738 9.379
78 HB2 HIS 9 HB2 HIS 9 -1.380 -5.929 9.955
79 HB3 HIS 9 HB3 HIS 9 -0.875 -7.072 11.204
80 HD2 HIS 9 HD2 HIS 9 1.569 -6.787 11.950
81 HE1 HIS 9 HE1 HIS 9 3.247 -5.146 8.407
82 HE2 HIS 9 HE2 HIS 9 3.728 -5.851 10.804
83 H SER 10 H SER 10 -3.541 -7.309 8.485
84 HA SER 10 HA SER 10 -4.935 -8.667 10.637
85 HB2 SER 10 HB2 SER 10 -6.947 -7.883 9.543
86 HB3 SER 10 HB3 SER 10 -5.745 -6.577 9.561
87 HG SER 10 HG SER 10 -6.809 -6.884 7.521
88 H ARG 11 H ARG 11 -3.897 -9.516 7.376
89 HA ARG 11 HA ARG 11 -5.660 -11.785 7.084
90 HB2 ARG 11 HB2 ARG 11 -4.562 -10.618 5.197
91 HB3 ARG 11 HB3 ARG 11 -2.976 -11.145 5.786
92 HG2 ARG 11 HG2 ARG 11 -3.627 -13.512 5.477
93 HG3 ARG 11 HG3 ARG 11 -5.245 -13.000 4.946
94 HD2 ARG 11 HD2 ARG 11 -3.897 -13.517 2.992
95 HD3 ARG 11 HD3 ARG 11 -4.211 -11.779 3.047
96 HE ARG 11 HE ARG 11 -1.663 -12.845 4.170
97 HH11 ARG 11 HH11 ARG 11 -3.321 -10.990 1.644
98 HH12 ARG 11 HH12 ARG 11 -1.839 -10.259 1.064
99 HH21 ARG 11 HH21 ARG 11 0.227 -11.875 3.387
100 HH22 ARG 11 HH22 ARG 11 0.158 -10.769 2.032
101 H LEU 12 H LEU 12 -2.479 -11.222 8.536
102 HA LEU 12 HA LEU 12 -1.939 -14.041 9.003
103 HB2 LEU 12 HB2 LEU 12 -0.135 -12.493 8.701
104 HB3 LEU 12 HB3 LEU 12 -0.712 -11.436 9.990
105 HG LEU 12 HG LEU 12 -0.050 -14.302 10.683
106 HD11 LEU 12 HD11 LEU 12 2.312 -13.665 11.003
107 HD12 LEU 12 HD12 LEU 12 1.836 -13.564 9.292
108 HD13 LEU 12 HD13 LEU 12 1.990 -12.083 10.267
109 HD21 LEU 12 HD21 LEU 12 0.382 -11.610 12.073
110 HD22 LEU 12 HD22 LEU 12 -0.952 -12.732 12.427
111 HD23 LEU 12 HD23 LEU 12 0.726 -13.208 12.773
112 H GLN 13 H GLN 13 -3.593 -11.413 10.694
113 HA GLN 13 HA GLN 13 -3.665 -12.757 13.260
114 HB2 GLN 13 HB2 GLN 13 -3.776 -10.316 13.052
115 HB3 GLN 13 HB3 GLN 13 -5.247 -10.449 12.080
116 HG2 GLN 13 HG2 GLN 13 -5.827 -9.827 14.350
117 HG3 GLN 13 HG3 GLN 13 -6.438 -11.448 14.028
118 HE21 GLN 13 HE21 GLN 13 -6.507 -11.399 16.484
119 HE22 GLN 13 HE22 GLN 13 -5.067 -11.919 17.333
120 H ASP 14 H ASP 14 -5.657 -12.751 10.342
121 HA ASP 14 HA ASP 14 -7.878 -14.082 11.624
122 HB2 ASP 14 HB2 ASP 14 -7.279 -13.368 8.757
123 HB3 ASP 14 HB3 ASP 14 -8.685 -14.328 9.226
124 HN1 NH2 15 HN1 NH2 15 -4.911 -15.325 11.017
125 HN2 NH2 15 HN2 NH2 15 -5.370 -16.981 10.688
Start of MODEL 9
1 H1 TRP 1 H1 TRP 1 1.529 6.827 0.443
2 H2 TRP 1 H2 TRP 1 1.848 8.036 1.515
3 H3 TRP 1 H3 TRP 1 0.329 7.405 1.405
4 HA TRP 1 HA TRP 1 2.725 5.966 2.297
5 HB2 TRP 1 HB2 TRP 1 2.026 7.625 3.940
6 HB3 TRP 1 HB3 TRP 1 0.363 7.033 3.853
7 HD1 TRP 1 HD1 TRP 1 3.816 5.952 5.120
8 HE1 TRP 1 HE1 TRP 1 3.543 4.207 6.960
9 HE3 TRP 1 HE3 TRP 1 -1.244 5.296 4.855
10 HZ2 TRP 1 HZ2 TRP 1 1.390 2.710 8.187
11 HZ3 TRP 1 HZ3 TRP 1 -2.383 3.725 6.392
12 HH2 TRP 1 HH2 TRP 1 -1.077 2.421 8.055
13 H TYR 2 H TYR 2 2.581 3.781 2.420
14 HA TYR 2 HA TYR 2 0.241 2.646 1.202
15 HB2 TYR 2 HB2 TYR 2 2.855 1.461 1.978
16 HB3 TYR 2 HB3 TYR 2 1.455 0.460 1.558
17 HD1 TYR 2 HD1 TYR 2 0.172 1.076 -0.614
18 HD2 TYR 2 HD2 TYR 2 4.239 2.200 0.195
19 HE1 TYR 2 HE1 TYR 2 0.545 1.417 -3.041
20 HE2 TYR 2 HE2 TYR 2 4.630 2.539 -2.233
21 HH TYR 2 HH TYR 2 2.052 1.986 -4.661
22 H HIS 3 H HIS 3 -1.534 2.635 2.222
23 HA HIS 3 HA HIS 3 -1.786 1.791 4.992
24 HB2 HIS 3 HB2 HIS 3 -4.193 2.102 4.523
25 HB3 HIS 3 HB3 HIS 3 -3.182 3.467 3.963
26 HD2 HIS 3 HD2 HIS 3 -3.546 4.251 1.539
27 HE1 HIS 3 HE1 HIS 3 -5.625 0.878 0.001
28 HE2 HIS 3 HE2 HIS 3 -4.813 3.238 -0.516
29 H ARG 4 H ARG 4 -1.615 0.153 1.960
30 HA ARG 4 HA ARG 4 -3.140 -2.185 2.679
31 HB2 ARG 4 HB2 ARG 4 -1.143 -1.451 0.538
32 HB3 ARG 4 HB3 ARG 4 -1.541 -3.157 0.783
33 HG2 ARG 4 HG2 ARG 4 -3.647 -1.014 0.320
34 HG3 ARG 4 HG3 ARG 4 -2.945 -2.029 -0.957
35 HD2 ARG 4 HD2 ARG 4 -3.665 -4.065 0.312
36 HD3 ARG 4 HD3 ARG 4 -4.470 -3.027 1.487
37 HE ARG 4 HE ARG 4 -6.055 -2.343 -0.173
38 HH11 ARG 4 HH11 ARG 4 -3.892 -4.919 -1.290
39 HH12 ARG 4 HH12 ARG 4 -4.964 -5.387 -2.592
40 HH21 ARG 4 HH21 ARG 4 -7.405 -2.986 -1.868
41 HH22 ARG 4 HH22 ARG 4 -6.944 -4.321 -2.900
42 H LEU 5 H LEU 5 -0.137 -1.065 3.882
43 HA LEU 5 HA LEU 5 1.118 -3.627 4.179
44 HB2 LEU 5 HB2 LEU 5 2.312 -1.492 4.233
45 HB3 LEU 5 HB3 LEU 5 1.463 -1.005 5.698
46 HG LEU 5 HG LEU 5 3.839 -1.786 5.958
47 HD11 LEU 5 HD11 LEU 5 1.846 -3.384 7.600
48 HD12 LEU 5 HD12 LEU 5 3.500 -2.932 8.039
49 HD13 LEU 5 HD13 LEU 5 2.263 -1.676 7.867
50 HD21 LEU 5 HD21 LEU 5 3.742 -3.705 4.396
51 HD22 LEU 5 HD22 LEU 5 4.316 -4.175 6.006
52 HD23 LEU 5 HD23 LEU 5 2.651 -4.554 5.524
53 H SER 6 H SER 6 -1.013 -1.650 6.292
54 HA SER 6 HA SER 6 -0.935 -3.498 8.484
55 HB2 SER 6 HB2 SER 6 -1.536 -1.125 8.723
56 HB3 SER 6 HB3 SER 6 -2.988 -1.377 7.738
57 HG SER 6 HG SER 6 -3.743 -2.814 9.318
58 H HIS 7 H HIS 7 -2.565 -3.573 5.419
59 HA HIS 7 HA HIS 7 -4.842 -5.148 6.218
60 HB2 HIS 7 HB2 HIS 7 -4.496 -3.749 4.094
61 HB3 HIS 7 HB3 HIS 7 -3.470 -5.061 3.502
62 HD2 HIS 7 HD2 HIS 7 -7.013 -3.942 3.562
63 HE1 HIS 7 HE1 HIS 7 -7.226 -8.070 2.551
64 HE2 HIS 7 HE2 HIS 7 -8.529 -5.883 2.663
65 H ILE 8 H ILE 8 -1.488 -5.833 5.218
66 HA ILE 8 HA ILE 8 -1.899 -8.651 4.818
67 HB ILE 8 HB ILE 8 0.591 -6.974 5.289
68 HG12 ILE 8 HG12 ILE 8 -0.571 -8.180 2.740
69 HG13 ILE 8 HG13 ILE 8 -0.836 -6.508 3.250
70 HG21 ILE 8 HG21 ILE 8 1.025 -9.322 5.896
71 HG22 ILE 8 HG22 ILE 8 0.365 -9.859 4.330
72 HG23 ILE 8 HG23 ILE 8 1.858 -8.895 4.399
73 HD11 ILE 8 HD11 ILE 8 0.970 -6.549 1.633
74 HD12 ILE 8 HD12 ILE 8 1.620 -6.114 3.230
75 HD13 ILE 8 HD13 ILE 8 1.853 -7.761 2.577
76 H HIS 9 H HIS 9 -0.884 -6.630 7.604
77 HA HIS 9 HA HIS 9 -0.336 -8.893 9.314
78 HB2 HIS 9 HB2 HIS 9 -1.015 -5.993 9.921
79 HB3 HIS 9 HB3 HIS 9 -0.519 -7.181 11.128
80 HD2 HIS 9 HD2 HIS 9 1.979 -7.125 11.690
81 HE1 HIS 9 HE1 HIS 9 3.534 -5.577 8.048
82 HE2 HIS 9 HE2 HIS 9 4.127 -6.338 10.407
83 H SER 10 H SER 10 -3.247 -7.100 8.391
84 HA SER 10 HA SER 10 -4.896 -8.161 10.533
85 HB2 SER 10 HB2 SER 10 -5.635 -6.939 7.838
86 HB3 SER 10 HB3 SER 10 -6.762 -7.287 9.163
87 HG SER 10 HG SER 10 -4.571 -5.489 9.186
88 H ARG 11 H ARG 11 -3.976 -9.209 7.265
89 HA ARG 11 HA ARG 11 -5.928 -11.342 7.111
90 HB2 ARG 11 HB2 ARG 11 -4.913 -10.294 5.146
91 HB3 ARG 11 HB3 ARG 11 -3.302 -10.858 5.639
92 HG2 ARG 11 HG2 ARG 11 -4.016 -13.204 5.400
93 HG3 ARG 11 HG3 ARG 11 -5.667 -12.673 5.001
94 HD2 ARG 11 HD2 ARG 11 -4.807 -11.492 3.011
95 HD3 ARG 11 HD3 ARG 11 -3.158 -11.996 3.418
96 HE ARG 11 HE ARG 11 -5.361 -13.699 2.381
97 HH11 ARG 11 HH11 ARG 11 -2.004 -13.474 3.482
98 HH12 ARG 11 HH12 ARG 11 -1.556 -15.011 2.780
99 HH21 ARG 11 HH21 ARG 11 -4.741 -15.704 1.499
100 HH22 ARG 11 HH22 ARG 11 -3.088 -16.257 1.664
101 H LEU 12 H LEU 12 -2.621 -10.993 8.359
102 HA LEU 12 HA LEU 12 -2.220 -13.817 8.831
103 HB2 LEU 12 HB2 LEU 12 -0.367 -12.329 8.494
104 HB3 LEU 12 HB3 LEU 12 -0.863 -11.274 9.821
105 HG LEU 12 HG LEU 12 -0.295 -14.165 10.447
106 HD11 LEU 12 HD11 LEU 12 2.110 -13.617 10.693
107 HD12 LEU 12 HD12 LEU 12 1.582 -13.486 9.002
108 HD13 LEU 12 HD13 LEU 12 1.818 -12.017 9.978
109 HD21 LEU 12 HD21 LEU 12 0.595 -13.152 12.532
110 HD22 LEU 12 HD22 LEU 12 0.317 -11.524 11.869
111 HD23 LEU 12 HD23 LEU 12 -1.058 -12.590 12.251
112 H GLN 13 H GLN 13 -3.718 -11.142 10.588
113 HA GLN 13 HA GLN 13 -3.786 -12.548 13.127
114 HB2 GLN 13 HB2 GLN 13 -3.724 -10.099 13.012
115 HB3 GLN 13 HB3 GLN 13 -5.218 -10.078 12.071
116 HG2 GLN 13 HG2 GLN 13 -5.721 -9.502 14.377
117 HG3 GLN 13 HG3 GLN 13 -6.459 -11.050 13.986
118 HE21 GLN 13 HE21 GLN 13 -6.514 -11.156 16.434
119 HE22 GLN 13 HE22 GLN 13 -5.099 -11.807 17.237
120 H ASP 14 H ASP 14 -5.861 -12.290 10.279
121 HA ASP 14 HA ASP 14 -8.125 -13.520 11.592
122 HB2 ASP 14 HB2 ASP 14 -7.575 -12.710 8.743
123 HB3 ASP 14 HB3 ASP 14 -9.021 -13.614 9.207
124 HN1 NH2 15 HN1 NH2 15 -5.280 -14.935 10.864
125 HN2 NH2 15 HN2 NH2 15 -5.857 -16.540 10.461
Start of MODEL 10
1 H1 TRP 1 H1 TRP 1 3.694 6.758 0.743
2 H2 TRP 1 H2 TRP 1 4.335 5.667 -0.308
3 H3 TRP 1 H3 TRP 1 5.328 6.636 0.581
4 HA TRP 1 HA TRP 1 5.310 4.422 1.468
5 HB2 TRP 1 HB2 TRP 1 5.656 6.293 2.999
6 HB3 TRP 1 HB3 TRP 1 3.902 6.471 3.173
7 HD1 TRP 1 HD1 TRP 1 6.710 4.022 4.104
8 HE1 TRP 1 HE1 TRP 1 6.007 2.658 6.138
9 HE3 TRP 1 HE3 TRP 1 1.891 5.677 4.555
10 HZ2 TRP 1 HZ2 TRP 1 3.649 2.321 7.778
11 HZ3 TRP 1 HZ3 TRP 1 0.455 4.835 6.388
12 HH2 TRP 1 HH2 TRP 1 1.313 3.163 7.996
13 H TYR 2 H TYR 2 4.226 2.538 1.781
14 HA TYR 2 HA TYR 2 1.452 2.592 1.010
15 HB2 TYR 2 HB2 TYR 2 3.334 0.339 1.491
16 HB3 TYR 2 HB3 TYR 2 1.586 0.094 1.351
17 HD1 TYR 2 HD1 TYR 2 0.420 1.334 -0.671
18 HD2 TYR 2 HD2 TYR 2 4.587 0.266 -0.522
19 HE1 TYR 2 HE1 TYR 2 0.530 1.433 -3.145
20 HE2 TYR 2 HE2 TYR 2 4.699 0.351 -2.998
21 HH TYR 2 HH TYR 2 3.559 0.749 -4.939
22 H HIS 3 H HIS 3 0.021 3.349 2.267
23 HA HIS 3 HA HIS 3 -0.052 2.794 5.120
24 HB2 HIS 3 HB2 HIS 3 -2.151 4.098 4.976
25 HB3 HIS 3 HB3 HIS 3 -0.778 4.883 4.154
26 HD2 HIS 3 HD2 HIS 3 -1.170 5.681 1.749
27 HE1 HIS 3 HE1 HIS 3 -4.697 3.482 0.830
28 HE2 HIS 3 HE2 HIS 3 -3.065 5.249 -0.015
29 H ARG 4 H ARG 4 -1.254 1.211 2.267
30 HA ARG 4 HA ARG 4 -3.370 -0.239 3.653
31 HB2 ARG 4 HB2 ARG 4 -3.653 -1.420 1.520
32 HB3 ARG 4 HB3 ARG 4 -3.698 0.335 1.367
33 HG2 ARG 4 HG2 ARG 4 -2.482 -0.477 -0.477
34 HG3 ARG 4 HG3 ARG 4 -1.292 0.279 0.591
35 HD2 ARG 4 HD2 ARG 4 -0.556 -1.911 1.395
36 HD3 ARG 4 HD3 ARG 4 -1.860 -2.716 0.502
37 HE ARG 4 HE ARG 4 0.631 -1.558 -0.590
38 HH11 ARG 4 HH11 ARG 4 -2.490 -3.087 -1.243
39 HH12 ARG 4 HH12 ARG 4 -2.049 -3.546 -2.875
40 HH21 ARG 4 HH21 ARG 4 1.164 -2.152 -2.712
41 HH22 ARG 4 HH22 ARG 4 0.012 -3.025 -3.697
42 H LEU 5 H LEU 5 -0.257 -0.460 4.268
43 HA LEU 5 HA LEU 5 0.501 -3.132 3.732
44 HB2 LEU 5 HB2 LEU 5 2.085 -1.415 4.412
45 HB3 LEU 5 HB3 LEU 5 1.237 -1.184 5.945
46 HG LEU 5 HG LEU 5 1.861 -3.483 6.643
47 HD11 LEU 5 HD11 LEU 5 3.433 -3.492 4.027
48 HD12 LEU 5 HD12 LEU 5 3.563 -4.715 5.313
49 HD13 LEU 5 HD13 LEU 5 2.050 -4.545 4.408
50 HD21 LEU 5 HD21 LEU 5 4.258 -3.032 6.949
51 HD22 LEU 5 HD22 LEU 5 4.193 -1.771 5.690
52 HD23 LEU 5 HD23 LEU 5 3.297 -1.565 7.212
53 H SER 6 H SER 6 -1.689 -1.805 6.164
54 HA SER 6 HA SER 6 -1.583 -3.983 8.013
55 HB2 SER 6 HB2 SER 6 -3.674 -3.021 8.869
56 HB3 SER 6 HB3 SER 6 -2.501 -1.733 8.518
57 HG SER 6 HG SER 6 -4.605 -1.295 7.708
58 H HIS 7 H HIS 7 -2.840 -3.818 4.811
59 HA HIS 7 HA HIS 7 -5.044 -5.634 5.060
60 HB2 HIS 7 HB2 HIS 7 -4.605 -4.077 3.172
61 HB3 HIS 7 HB3 HIS 7 -3.210 -5.049 2.705
62 HD2 HIS 7 HD2 HIS 7 -6.948 -4.812 2.285
63 HE1 HIS 7 HE1 HIS 7 -5.860 -8.524 0.526
64 HE2 HIS 7 HE2 HIS 7 -7.733 -6.828 0.807
65 H ILE 8 H ILE 8 -1.538 -6.044 4.927
66 HA ILE 8 HA ILE 8 -1.759 -8.885 4.249
67 HB ILE 8 HB ILE 8 0.611 -7.125 4.985
68 HG12 ILE 8 HG12 ILE 8 -0.407 -8.193 2.320
69 HG13 ILE 8 HG13 ILE 8 -0.531 -6.514 2.873
70 HG21 ILE 8 HG21 ILE 8 0.561 -9.964 3.875
71 HG22 ILE 8 HG22 ILE 8 2.013 -8.971 4.156
72 HG23 ILE 8 HG23 ILE 8 1.039 -9.509 5.525
73 HD11 ILE 8 HD11 ILE 8 1.968 -6.402 2.996
74 HD12 ILE 8 HD12 ILE 8 2.037 -8.023 2.263
75 HD13 ILE 8 HD13 ILE 8 1.337 -6.663 1.359
76 H HIS 9 H HIS 9 -1.201 -6.836 7.105
77 HA HIS 9 HA HIS 9 -0.451 -9.040 8.829
78 HB2 HIS 9 HB2 HIS 9 -1.326 -6.192 9.396
79 HB3 HIS 9 HB3 HIS 9 -0.745 -7.324 10.623
80 HD2 HIS 9 HD2 HIS 9 1.752 -7.100 11.173
81 HE1 HIS 9 HE1 HIS 9 3.179 -5.500 7.501
82 HE2 HIS 9 HE2 HIS 9 3.834 -6.203 9.869
83 H SER 10 H SER 10 -3.554 -7.694 7.803
84 HA SER 10 HA SER 10 -5.040 -8.558 10.096
85 HB2 SER 10 HB2 SER 10 -6.990 -8.227 8.674
86 HB3 SER 10 HB3 SER 10 -5.852 -6.889 8.433
87 HG SER 10 HG SER 10 -6.667 -7.772 6.458
88 H ARG 11 H ARG 11 -3.664 -10.251 7.349
89 HA ARG 11 HA ARG 11 -5.397 -12.568 7.500
90 HB2 ARG 11 HB2 ARG 11 -2.605 -12.213 6.332
91 HB3 ARG 11 HB3 ARG 11 -3.673 -13.598 6.066
92 HG2 ARG 11 HG2 ARG 11 -5.354 -12.103 5.016
93 HG3 ARG 11 HG3 ARG 11 -4.294 -10.708 5.302
94 HD2 ARG 11 HD2 ARG 11 -4.046 -11.448 3.001
95 HD3 ARG 11 HD3 ARG 11 -2.544 -11.749 3.887
96 HE ARG 11 HE ARG 11 -2.890 -14.062 3.741
97 HH11 ARG 11 HH11 ARG 11 -5.658 -12.302 2.407
98 HH12 ARG 11 HH12 ARG 11 -6.339 -13.719 1.645
99 HH21 ARG 11 HH21 ARG 11 -3.802 -15.885 2.731
100 HH22 ARG 11 HH22 ARG 11 -5.294 -15.728 1.826
101 H LEU 12 H LEU 12 -2.489 -11.479 9.169
102 HA LEU 12 HA LEU 12 -1.947 -14.101 10.355
103 HB2 LEU 12 HB2 LEU 12 -0.118 -12.643 9.863
104 HB3 LEU 12 HB3 LEU 12 -0.834 -11.296 10.751
105 HG LEU 12 HG LEU 12 -0.270 -13.864 12.231
106 HD11 LEU 12 HD11 LEU 12 1.820 -11.777 11.485
107 HD12 LEU 12 HD12 LEU 12 2.049 -13.131 12.623
108 HD13 LEU 12 HD13 LEU 12 1.757 -13.455 10.900
109 HD21 LEU 12 HD21 LEU 12 -1.345 -11.932 13.412
110 HD22 LEU 12 HD22 LEU 12 0.275 -12.268 14.051
111 HD23 LEU 12 HD23 LEU 12 0.021 -10.901 12.940
112 H GLN 13 H GLN 13 -3.751 -11.159 11.128
113 HA GLN 13 HA GLN 13 -4.173 -11.902 13.911
114 HB2 GLN 13 HB2 GLN 13 -5.528 -9.866 12.099
115 HB3 GLN 13 HB3 GLN 13 -5.836 -10.020 13.836
116 HG2 GLN 13 HG2 GLN 13 -3.104 -9.432 12.613
117 HG3 GLN 13 HG3 GLN 13 -4.192 -8.214 13.273
118 HE21 GLN 13 HE21 GLN 13 -1.677 -8.347 14.309
119 HE22 GLN 13 HE22 GLN 13 -1.714 -9.032 15.919
120 H ASP 14 H ASP 14 -5.681 -12.676 10.857
121 HA ASP 14 HA ASP 14 -8.149 -13.580 12.082
122 HB2 ASP 14 HB2 ASP 14 -7.080 -13.705 9.275
123 HB3 ASP 14 HB3 ASP 14 -8.563 -14.535 9.761
124 HN1 NH2 15 HN1 NH2 15 -5.206 -14.915 12.430
125 HN2 NH2 15 HN2 NH2 15 -5.669 -16.602 12.509
Start of MODEL 11
1 H1 TRP 1 H1 TRP 1 2.615 7.720 1.959
2 H2 TRP 1 H2 TRP 1 3.441 8.493 3.156
3 H3 TRP 1 H3 TRP 1 1.843 8.124 3.351
4 HA TRP 1 HA TRP 1 4.030 6.184 3.083
5 HB2 TRP 1 HB2 TRP 1 4.115 7.353 5.225
6 HB3 TRP 1 HB3 TRP 1 2.401 7.001 5.484
7 HD1 TRP 1 HD1 TRP 1 5.777 5.167 5.293
8 HE1 TRP 1 HE1 TRP 1 5.652 3.008 6.635
9 HE3 TRP 1 HE3 TRP 1 0.819 5.278 6.496
10 HZ2 TRP 1 HZ2 TRP 1 3.638 1.508 8.088
11 HZ3 TRP 1 HZ3 TRP 1 -0.173 3.481 7.888
12 HH2 TRP 1 HH2 TRP 1 1.224 1.591 8.682
13 H TYR 2 H TYR 2 3.447 4.073 2.732
14 HA TYR 2 HA TYR 2 0.682 3.695 2.037
15 HB2 TYR 2 HB2 TYR 2 3.078 1.978 1.660
16 HB3 TYR 2 HB3 TYR 2 1.435 1.347 1.469
17 HD1 TYR 2 HD1 TYR 2 4.067 3.104 -0.198
18 HD2 TYR 2 HD2 TYR 2 -0.207 2.669 -0.019
19 HE1 TYR 2 HE1 TYR 2 3.874 4.069 -2.472
20 HE2 TYR 2 HE2 TYR 2 -0.413 3.645 -2.282
21 HH TYR 2 HH TYR 2 0.703 4.519 -4.082
22 H HIS 3 H HIS 3 -0.777 3.573 3.472
23 HA HIS 3 HA HIS 3 -0.430 2.032 5.930
24 HB2 HIS 3 HB2 HIS 3 -2.698 2.867 6.397
25 HB3 HIS 3 HB3 HIS 3 -1.604 4.158 5.836
26 HD2 HIS 3 HD2 HIS 3 -2.526 5.684 3.992
27 HE1 HIS 3 HE1 HIS 3 -5.612 3.181 2.466
28 HE2 HIS 3 HE2 HIS 3 -4.518 5.482 2.297
29 H ARG 4 H ARG 4 -1.343 1.361 2.729
30 HA ARG 4 HA ARG 4 -3.395 -0.573 3.104
31 HB2 ARG 4 HB2 ARG 4 -2.053 0.662 0.974
32 HB3 ARG 4 HB3 ARG 4 -1.601 -1.039 0.805
33 HG2 ARG 4 HG2 ARG 4 -4.427 0.075 1.025
34 HG3 ARG 4 HG3 ARG 4 -3.646 -0.488 -0.463
35 HD2 ARG 4 HD2 ARG 4 -3.424 -2.763 0.545
36 HD3 ARG 4 HD3 ARG 4 -4.313 -2.194 1.967
37 HE ARG 4 HE ARG 4 -6.271 -1.825 0.564
38 HH11 ARG 4 HH11 ARG 4 -3.688 -3.784 -0.875
39 HH12 ARG 4 HH12 ARG 4 -4.773 -4.571 -1.999
40 HH21 ARG 4 HH21 ARG 4 -7.632 -2.862 -0.916
41 HH22 ARG 4 HH22 ARG 4 -6.990 -4.054 -2.022
42 H LEU 5 H LEU 5 -0.063 -0.709 3.925
43 HA LEU 5 HA LEU 5 0.502 -3.460 3.459
44 HB2 LEU 5 HB2 LEU 5 2.235 -1.824 3.953
45 HB3 LEU 5 HB3 LEU 5 1.495 -1.460 5.520
46 HG LEU 5 HG LEU 5 2.000 -3.771 6.288
47 HD11 LEU 5 HD11 LEU 5 2.008 -4.925 4.098
48 HD12 LEU 5 HD12 LEU 5 3.437 -3.980 3.601
49 HD13 LEU 5 HD13 LEU 5 3.554 -5.155 4.936
50 HD21 LEU 5 HD21 LEU 5 3.577 -1.907 6.697
51 HD22 LEU 5 HD22 LEU 5 4.426 -3.456 6.476
52 HD23 LEU 5 HD23 LEU 5 4.391 -2.263 5.159
53 H SER 6 H SER 6 -1.483 -1.834 5.870
54 HA SER 6 HA SER 6 -1.421 -3.822 7.898
55 HB2 SER 6 HB2 SER 6 -2.279 -1.550 8.244
56 HB3 SER 6 HB3 SER 6 -3.599 -1.854 7.088
57 HG SER 6 HG SER 6 -4.233 -2.139 9.267
58 H HIS 7 H HIS 7 -2.910 -3.845 4.737
59 HA HIS 7 HA HIS 7 -5.034 -5.691 5.281
60 HB2 HIS 7 HB2 HIS 7 -4.799 -4.243 3.265
61 HB3 HIS 7 HB3 HIS 7 -3.424 -5.214 2.741
62 HD2 HIS 7 HD2 HIS 7 -7.165 -5.025 2.551
63 HE1 HIS 7 HE1 HIS 7 -6.197 -8.886 1.048
64 HE2 HIS 7 HE2 HIS 7 -8.044 -7.147 1.292
65 H ILE 8 H ILE 8 -1.545 -6.046 4.735
66 HA ILE 8 HA ILE 8 -1.692 -8.881 4.188
67 HB ILE 8 HB ILE 8 0.697 -7.197 5.049
68 HG12 ILE 8 HG12 ILE 8 -0.288 -6.155 3.090
69 HG13 ILE 8 HG13 ILE 8 1.220 -6.961 2.668
70 HG21 ILE 8 HG21 ILE 8 1.078 -9.602 5.233
71 HG22 ILE 8 HG22 ILE 8 0.462 -9.862 3.592
72 HG23 ILE 8 HG23 ILE 8 1.976 -8.960 3.846
73 HD11 ILE 8 HD11 ILE 8 -0.051 -8.881 1.737
74 HD12 ILE 8 HD12 ILE 8 -1.579 -8.073 2.165
75 HD13 ILE 8 HD13 ILE 8 -0.497 -7.348 0.960
76 H HIS 9 H HIS 9 -1.026 -6.815 7.047
77 HA HIS 9 HA HIS 9 -0.374 -9.024 8.787
78 HB2 HIS 9 HB2 HIS 9 -1.208 -6.156 9.343
79 HB3 HIS 9 HB3 HIS 9 -0.609 -7.292 10.559
80 HD2 HIS 9 HD2 HIS 9 1.882 -7.012 11.082
81 HE1 HIS 9 HE1 HIS 9 3.279 -5.530 7.354
82 HE2 HIS 9 HE2 HIS 9 3.952 -6.148 9.732
83 H SER 10 H SER 10 -3.371 -7.651 7.620
84 HA SER 10 HA SER 10 -5.024 -8.400 9.846
85 HB2 SER 10 HB2 SER 10 -5.660 -7.976 6.896
86 HB3 SER 10 HB3 SER 10 -6.870 -8.195 8.174
87 HG SER 10 HG SER 10 -4.918 -6.140 8.040
88 H ARG 11 H ARG 11 -3.514 -10.243 7.289
89 HA ARG 11 HA ARG 11 -5.349 -12.494 7.433
90 HB2 ARG 11 HB2 ARG 11 -2.502 -12.282 6.367
91 HB3 ARG 11 HB3 ARG 11 -3.609 -13.645 6.113
92 HG2 ARG 11 HG2 ARG 11 -5.198 -12.118 4.939
93 HG3 ARG 11 HG3 ARG 11 -4.060 -10.775 5.188
94 HD2 ARG 11 HD2 ARG 11 -3.802 -11.672 2.938
95 HD3 ARG 11 HD3 ARG 11 -2.343 -11.997 3.876
96 HE ARG 11 HE ARG 11 -4.500 -13.999 3.278
97 HH11 ARG 11 HH11 ARG 11 -1.082 -13.251 3.877
98 HH12 ARG 11 HH12 ARG 11 -0.576 -14.908 3.643
99 HH21 ARG 11 HH21 ARG 11 -3.793 -16.135 2.996
100 HH22 ARG 11 HH22 ARG 11 -2.093 -16.524 3.158
101 H LEU 12 H LEU 12 -2.487 -11.423 9.190
102 HA LEU 12 HA LEU 12 -2.133 -14.030 10.508
103 HB2 LEU 12 HB2 LEU 12 -0.185 -12.739 9.958
104 HB3 LEU 12 HB3 LEU 12 -0.807 -11.300 10.764
105 HG LEU 12 HG LEU 12 -0.473 -13.798 12.414
106 HD11 LEU 12 HD11 LEU 12 1.610 -13.664 11.101
107 HD12 LEU 12 HD12 LEU 12 1.808 -11.960 11.571
108 HD13 LEU 12 HD13 LEU 12 1.899 -13.239 12.804
109 HD21 LEU 12 HD21 LEU 12 0.088 -10.835 12.918
110 HD22 LEU 12 HD22 LEU 12 -1.381 -11.681 13.428
111 HD23 LEU 12 HD23 LEU 12 0.192 -12.129 14.124
112 H GLN 13 H GLN 13 -3.789 -10.975 11.012
113 HA GLN 13 HA GLN 13 -4.253 -11.357 13.853
114 HB2 GLN 13 HB2 GLN 13 -4.147 -9.143 12.824
115 HB3 GLN 13 HB3 GLN 13 -5.515 -9.538 11.757
116 HG2 GLN 13 HG2 GLN 13 -7.029 -9.676 13.639
117 HG3 GLN 13 HG3 GLN 13 -5.686 -9.535 14.791
118 HE21 GLN 13 HE21 GLN 13 -7.422 -7.780 15.427
119 HE22 GLN 13 HE22 GLN 13 -7.102 -6.179 14.789
120 H ASP 14 H ASP 14 -5.753 -12.509 10.911
121 HA ASP 14 HA ASP 14 -8.354 -12.955 12.016
122 HB2 ASP 14 HB2 ASP 14 -8.241 -12.760 9.699
123 HB3 ASP 14 HB3 ASP 14 -6.938 -13.942 9.564
124 HN1 NH2 15 HN1 NH2 15 -8.946 -14.262 13.569
125 HN2 NH2 15 HN2 NH2 15 -8.249 -15.835 13.905
Start of MODEL 12
1 H1 TRP 1 H1 TRP 1 0.335 3.375 -1.962
2 H2 TRP 1 H2 TRP 1 -0.653 2.494 -0.976
3 H3 TRP 1 H3 TRP 1 0.889 1.997 -1.248
4 HA TRP 1 HA TRP 1 1.778 3.918 -0.164
5 HB2 TRP 1 HB2 TRP 1 -0.146 5.377 -0.738
6 HB3 TRP 1 HB3 TRP 1 -1.128 4.534 0.451
7 HD1 TRP 1 HD1 TRP 1 1.898 6.861 0.189
8 HE1 TRP 1 HE1 TRP 1 2.224 8.140 2.376
9 HE3 TRP 1 HE3 TRP 1 -1.700 4.562 3.005
10 HZ2 TRP 1 HZ2 TRP 1 1.075 8.155 5.028
11 HZ3 TRP 1 HZ3 TRP 1 -2.047 5.227 5.363
12 HH2 TRP 1 HH2 TRP 1 -0.668 7.008 6.385
13 H TYR 2 H TYR 2 1.580 4.208 2.382
14 HA TYR 2 HA TYR 2 2.216 1.740 3.405
15 HB2 TYR 2 HB2 TYR 2 3.210 3.514 4.402
16 HB3 TYR 2 HB3 TYR 2 1.700 4.399 4.610
17 HD1 TYR 2 HD1 TYR 2 0.078 3.815 6.385
18 HD2 TYR 2 HD2 TYR 2 3.983 2.028 6.143
19 HE1 TYR 2 HE1 TYR 2 -0.111 3.073 8.757
20 HE2 TYR 2 HE2 TYR 2 3.802 1.295 8.509
21 HH TYR 2 HH TYR 2 2.501 1.250 10.385
22 H HIS 3 H HIS 3 -1.060 2.783 3.131
23 HA HIS 3 HA HIS 3 -2.098 1.387 5.402
24 HB2 HIS 3 HB2 HIS 3 -4.251 1.606 4.273
25 HB3 HIS 3 HB3 HIS 3 -3.329 3.115 4.176
26 HD2 HIS 3 HD2 HIS 3 -3.538 4.236 1.883
27 HE1 HIS 3 HE1 HIS 3 -4.052 0.806 -0.577
28 HE2 HIS 3 HE2 HIS 3 -3.925 3.355 -0.554
29 H ARG 4 H ARG 4 -0.802 0.244 2.421
30 HA ARG 4 HA ARG 4 -2.302 -2.198 2.221
31 HB2 ARG 4 HB2 ARG 4 0.354 -1.240 1.123
32 HB3 ARG 4 HB3 ARG 4 -0.176 -2.909 0.881
33 HG2 ARG 4 HG2 ARG 4 -1.795 -0.478 0.040
34 HG3 ARG 4 HG3 ARG 4 -0.766 -1.464 -1.020
35 HD2 ARG 4 HD2 ARG 4 -2.123 -3.480 -0.328
36 HD3 ARG 4 HD3 ARG 4 -3.227 -2.395 0.517
37 HE ARG 4 HE ARG 4 -2.712 -2.352 -2.434
38 HH11 ARG 4 HH11 ARG 4 -4.904 -1.814 0.305
39 HH12 ARG 4 HH12 ARG 4 -6.260 -1.440 -0.736
40 HH21 ARG 4 HH21 ARG 4 -4.490 -1.828 -3.729
41 HH22 ARG 4 HH22 ARG 4 -6.023 -1.427 -2.990
42 H LEU 5 H LEU 5 0.211 -1.270 4.451
43 HA LEU 5 HA LEU 5 1.079 -4.007 4.929
44 HB2 LEU 5 HB2 LEU 5 1.354 -1.357 6.399
45 HB3 LEU 5 HB3 LEU 5 1.910 -2.871 7.119
46 HG LEU 5 HG LEU 5 2.851 -1.821 4.407
47 HD11 LEU 5 HD11 LEU 5 4.204 -1.767 7.138
48 HD12 LEU 5 HD12 LEU 5 4.932 -1.246 5.600
49 HD13 LEU 5 HD13 LEU 5 3.546 -0.357 6.271
50 HD21 LEU 5 HD21 LEU 5 3.076 -4.270 4.616
51 HD22 LEU 5 HD22 LEU 5 4.670 -3.509 4.745
52 HD23 LEU 5 HD23 LEU 5 3.843 -4.077 6.214
53 H SER 6 H SER 6 -1.167 -1.715 6.542
54 HA SER 6 HA SER 6 -1.969 -3.487 8.611
55 HB2 SER 6 HB2 SER 6 -2.437 -1.081 8.627
56 HB3 SER 6 HB3 SER 6 -3.489 -1.261 7.206
57 HG SER 6 HG SER 6 -3.875 -2.428 9.766
58 H HIS 7 H HIS 7 -2.761 -3.398 5.189
59 HA HIS 7 HA HIS 7 -5.199 -4.923 5.327
60 HB2 HIS 7 HB2 HIS 7 -4.378 -3.429 3.453
61 HB3 HIS 7 HB3 HIS 7 -3.197 -4.674 3.052
62 HD2 HIS 7 HD2 HIS 7 -6.678 -3.621 2.289
63 HE1 HIS 7 HE1 HIS 7 -6.482 -7.653 0.957
64 HE2 HIS 7 HE2 HIS 7 -7.845 -5.506 0.891
65 H ILE 8 H ILE 8 -1.743 -5.748 4.745
66 HA ILE 8 HA ILE 8 -2.327 -8.563 4.357
67 HB ILE 8 HB ILE 8 0.241 -6.998 4.766
68 HG12 ILE 8 HG12 ILE 8 -0.983 -8.290 2.284
69 HG13 ILE 8 HG13 ILE 8 -1.107 -6.571 2.683
70 HG21 ILE 8 HG21 ILE 8 -0.122 -9.925 3.988
71 HG22 ILE 8 HG22 ILE 8 1.424 -9.038 3.998
72 HG23 ILE 8 HG23 ILE 8 0.564 -9.332 5.513
73 HD11 ILE 8 HD11 ILE 8 0.699 -6.888 1.089
74 HD12 ILE 8 HD12 ILE 8 1.376 -6.387 2.656
75 HD13 ILE 8 HD13 ILE 8 1.472 -8.090 2.133
76 H HIS 9 H HIS 9 -1.102 -6.550 7.067
77 HA HIS 9 HA HIS 9 -0.538 -8.771 8.781
78 HB2 HIS 9 HB2 HIS 9 -0.987 -5.813 9.259
79 HB3 HIS 9 HB3 HIS 9 -0.622 -6.953 10.563
80 HD2 HIS 9 HD2 HIS 9 1.838 -6.737 11.216
81 HE1 HIS 9 HE1 HIS 9 3.610 -6.286 7.379
82 HE2 HIS 9 HE2 HIS 9 4.075 -6.455 9.878
83 H SER 10 H SER 10 -3.563 -7.188 7.937
84 HA SER 10 HA SER 10 -4.993 -8.072 10.297
85 HB2 SER 10 HB2 SER 10 -5.937 -7.300 7.509
86 HB3 SER 10 HB3 SER 10 -7.018 -7.692 8.859
87 HG SER 10 HG SER 10 -5.165 -5.565 8.674
88 H ARG 11 H ARG 11 -4.122 -9.562 7.192
89 HA ARG 11 HA ARG 11 -5.878 -11.856 7.603
90 HB2 ARG 11 HB2 ARG 11 -3.619 -11.317 5.633
91 HB3 ARG 11 HB3 ARG 11 -4.636 -12.767 5.641
92 HG2 ARG 11 HG2 ARG 11 -6.658 -11.382 5.339
93 HG3 ARG 11 HG3 ARG 11 -5.658 -9.905 5.335
94 HD2 ARG 11 HD2 ARG 11 -4.481 -10.675 3.334
95 HD3 ARG 11 HD3 ARG 11 -5.373 -12.202 3.364
96 HE ARG 11 HE ARG 11 -6.761 -9.565 3.048
97 HH11 ARG 11 HH11 ARG 11 -6.143 -12.860 1.902
98 HH12 ARG 11 HH12 ARG 11 -7.387 -12.787 0.679
99 HH21 ARG 11 HH21 ARG 11 -8.374 -9.506 1.452
100 HH22 ARG 11 HH22 ARG 11 -8.634 -10.894 0.419
101 H LEU 12 H LEU 12 -2.599 -10.937 8.471
102 HA LEU 12 HA LEU 12 -1.766 -13.632 9.177
103 HB2 LEU 12 HB2 LEU 12 -0.134 -11.990 8.560
104 HB3 LEU 12 HB3 LEU 12 -0.703 -10.846 9.781
105 HG LEU 12 HG LEU 12 0.254 -13.555 10.706
106 HD11 LEU 12 HD11 LEU 12 2.057 -11.244 9.874
107 HD12 LEU 12 HD12 LEU 12 2.576 -12.710 10.735
108 HD13 LEU 12 HD13 LEU 12 1.951 -12.830 9.073
109 HD21 LEU 12 HD21 LEU 12 1.120 -12.176 12.590
110 HD22 LEU 12 HD22 LEU 12 0.560 -10.707 11.771
111 HD23 LEU 12 HD23 LEU 12 -0.617 -11.896 12.369
112 H GLN 13 H GLN 13 -3.457 -10.940 10.741
113 HA GLN 13 HA GLN 13 -3.276 -12.078 13.405
114 HB2 GLN 13 HB2 GLN 13 -3.453 -9.658 13.039
115 HB3 GLN 13 HB3 GLN 13 -4.980 -9.870 12.173
116 HG2 GLN 13 HG2 GLN 13 -5.428 -9.088 14.421
117 HG3 GLN 13 HG3 GLN 13 -6.061 -10.721 14.224
118 HE21 GLN 13 HE21 GLN 13 -5.988 -10.456 16.691
119 HE22 GLN 13 HE22 GLN 13 -4.513 -10.941 17.502
120 H ASP 14 H ASP 14 -5.430 -12.397 10.638
121 HA ASP 14 HA ASP 14 -7.652 -13.546 12.122
122 HB2 ASP 14 HB2 ASP 14 -7.741 -12.342 9.881
123 HB3 ASP 14 HB3 ASP 14 -6.927 -13.732 9.160
124 HN1 NH2 15 HN1 NH2 15 -4.517 -14.673 11.440
125 HN2 NH2 15 HN2 NH2 15 -4.848 -16.395 11.463
Start of MODEL 13
1 H1 TRP 1 H1 TRP 1 -1.984 3.384 -1.766
2 H2 TRP 1 H2 TRP 1 -2.561 4.913 -1.983
3 H3 TRP 1 H3 TRP 1 -2.990 4.054 -0.647
4 HA TRP 1 HA TRP 1 -0.287 4.978 -1.320
5 HB2 TRP 1 HB2 TRP 1 -1.832 6.782 -0.665
6 HB3 TRP 1 HB3 TRP 1 -2.196 5.934 0.832
7 HD1 TRP 1 HD1 TRP 1 0.658 7.776 -0.938
8 HE1 TRP 1 HE1 TRP 1 2.341 8.642 0.769
9 HE3 TRP 1 HE3 TRP 1 -1.307 5.654 3.279
10 HZ2 TRP 1 HZ2 TRP 1 2.818 8.401 3.609
11 HZ3 TRP 1 HZ3 TRP 1 -0.210 5.988 5.470
12 HH2 TRP 1 HH2 TRP 1 1.852 7.350 5.652
13 H TYR 2 H TYR 2 1.047 4.933 0.862
14 HA TYR 2 HA TYR 2 1.617 2.268 1.257
15 HB2 TYR 2 HB2 TYR 2 3.367 3.673 1.492
16 HB3 TYR 2 HB3 TYR 2 2.499 4.779 2.555
17 HD1 TYR 2 HD1 TYR 2 2.127 4.262 4.937
18 HD2 TYR 2 HD2 TYR 2 4.618 1.825 2.420
19 HE1 TYR 2 HE1 TYR 2 3.114 3.207 6.951
20 HE2 TYR 2 HE2 TYR 2 5.632 0.776 4.423
21 HH TYR 2 HH TYR 2 5.676 0.701 6.714
22 H HIS 3 H HIS 3 -0.993 3.738 2.905
23 HA HIS 3 HA HIS 3 -0.725 2.344 5.396
24 HB2 HIS 3 HB2 HIS 3 -3.066 2.946 5.729
25 HB3 HIS 3 HB3 HIS 3 -2.162 4.315 5.062
26 HD2 HIS 3 HD2 HIS 3 -3.505 5.568 3.241
27 HE1 HIS 3 HE1 HIS 3 -5.889 2.376 1.754
28 HE2 HIS 3 HE2 HIS 3 -5.367 4.864 1.544
29 H ARG 4 H ARG 4 -1.448 1.283 2.247
30 HA ARG 4 HA ARG 4 -3.298 -0.816 2.737
31 HB2 ARG 4 HB2 ARG 4 -1.861 0.281 0.547
32 HB3 ARG 4 HB3 ARG 4 -1.394 -1.421 0.599
33 HG2 ARG 4 HG2 ARG 4 -4.238 -0.346 0.606
34 HG3 ARG 4 HG3 ARG 4 -3.404 -1.016 -0.808
35 HD2 ARG 4 HD2 ARG 4 -3.137 -3.185 0.384
36 HD3 ARG 4 HD3 ARG 4 -4.049 -2.532 1.752
37 HE ARG 4 HE ARG 4 -5.993 -2.266 0.234
38 HH11 ARG 4 HH11 ARG 4 -3.444 -4.552 -0.704
39 HH12 ARG 4 HH12 ARG 4 -4.532 -5.495 -1.702
40 HH21 ARG 4 HH21 ARG 4 -7.347 -3.520 -1.077
41 HH22 ARG 4 HH22 ARG 4 -6.708 -4.917 -1.914
42 H LEU 5 H LEU 5 0.051 -0.532 3.613
43 HA LEU 5 HA LEU 5 0.738 -3.313 3.513
44 HB2 LEU 5 HB2 LEU 5 2.427 -1.607 3.596
45 HB3 LEU 5 HB3 LEU 5 1.793 -0.930 5.091
46 HG LEU 5 HG LEU 5 2.686 -3.812 5.111
47 HD11 LEU 5 HD11 LEU 5 4.546 -1.403 5.208
48 HD12 LEU 5 HD12 LEU 5 5.004 -3.092 5.542
49 HD13 LEU 5 HD13 LEU 5 4.480 -2.613 3.912
50 HD21 LEU 5 HD21 LEU 5 1.739 -2.795 7.188
51 HD22 LEU 5 HD22 LEU 5 3.469 -3.139 7.382
52 HD23 LEU 5 HD23 LEU 5 2.928 -1.477 7.072
53 H SER 6 H SER 6 -1.139 -1.384 5.779
54 HA SER 6 HA SER 6 -0.907 -3.193 8.003
55 HB2 SER 6 HB2 SER 6 -2.731 -1.895 8.953
56 HB3 SER 6 HB3 SER 6 -1.586 -0.792 8.168
57 HG SER 6 HG SER 6 -2.985 -0.598 6.450
58 H HIS 7 H HIS 7 -2.587 -3.449 5.009
59 HA HIS 7 HA HIS 7 -4.844 -5.015 5.942
60 HB2 HIS 7 HB2 HIS 7 -4.838 -3.750 3.822
61 HB3 HIS 7 HB3 HIS 7 -3.503 -4.742 3.222
62 HD2 HIS 7 HD2 HIS 7 -7.267 -4.694 3.403
63 HE1 HIS 7 HE1 HIS 7 -6.239 -8.551 1.931
64 HE2 HIS 7 HE2 HIS 7 -8.153 -6.909 2.326
65 H ILE 8 H ILE 8 -1.488 -5.683 5.042
66 HA ILE 8 HA ILE 8 -1.850 -8.416 4.318
67 HB ILE 8 HB ILE 8 0.583 -6.879 5.302
68 HG12 ILE 8 HG12 ILE 8 -0.346 -7.569 2.476
69 HG13 ILE 8 HG13 ILE 8 -0.573 -5.994 3.250
70 HG21 ILE 8 HG21 ILE 8 0.417 -9.531 3.816
71 HG22 ILE 8 HG22 ILE 8 1.914 -8.659 4.232
72 HG23 ILE 8 HG23 ILE 8 0.904 -9.330 5.518
73 HD11 ILE 8 HD11 ILE 8 1.889 -5.767 3.504
74 HD12 ILE 8 HD12 ILE 8 2.095 -7.294 2.605
75 HD13 ILE 8 HD13 ILE 8 1.360 -5.888 1.812
76 H HIS 9 H HIS 9 -1.394 -6.791 7.439
77 HA HIS 9 HA HIS 9 -0.610 -9.149 8.879
78 HB2 HIS 9 HB2 HIS 9 -1.794 -6.513 9.819
79 HB3 HIS 9 HB3 HIS 9 -1.066 -7.744 10.859
80 HD2 HIS 9 HD2 HIS 9 1.376 -7.227 11.476
81 HE1 HIS 9 HE1 HIS 9 2.562 -5.028 8.033
82 HE2 HIS 9 HE2 HIS 9 3.316 -5.915 10.307
83 H SER 10 H SER 10 -3.712 -7.973 7.737
84 HA SER 10 HA SER 10 -5.324 -9.065 9.840
85 HB2 SER 10 HB2 SER 10 -7.173 -8.711 8.364
86 HB3 SER 10 HB3 SER 10 -6.067 -7.341 8.167
87 HG SER 10 HG SER 10 -5.337 -8.250 6.255
88 H ARG 11 H ARG 11 -3.494 -10.564 7.345
89 HA ARG 11 HA ARG 11 -5.180 -12.889 6.948
90 HB2 ARG 11 HB2 ARG 11 -2.232 -12.420 6.362
91 HB3 ARG 11 HB3 ARG 11 -3.244 -13.730 5.723
92 HG2 ARG 11 HG2 ARG 11 -4.712 -12.022 4.625
93 HG3 ARG 11 HG3 ARG 11 -3.626 -10.745 5.208
94 HD2 ARG 11 HD2 ARG 11 -2.943 -13.004 3.301
95 HD3 ARG 11 HD3 ARG 11 -3.073 -11.286 2.902
96 HE ARG 11 HE ARG 11 -1.145 -11.078 4.693
97 HH11 ARG 11 HH11 ARG 11 -1.535 -13.649 2.296
98 HH12 ARG 11 HH12 ARG 11 0.177 -14.004 2.240
99 HH21 ARG 11 HH21 ARG 11 1.065 -11.602 4.629
100 HH22 ARG 11 HH22 ARG 11 1.638 -12.848 3.544
101 H LEU 12 H LEU 12 -3.012 -11.899 9.430
102 HA LEU 12 HA LEU 12 -2.963 -14.700 10.466
103 HB2 LEU 12 HB2 LEU 12 -0.776 -14.168 9.682
104 HB3 LEU 12 HB3 LEU 12 -0.784 -12.588 10.467
105 HG LEU 12 HG LEU 12 -1.123 -15.020 12.215
106 HD11 LEU 12 HD11 LEU 12 1.324 -15.303 12.312
107 HD12 LEU 12 HD12 LEU 12 0.701 -15.651 10.685
108 HD13 LEU 12 HD13 LEU 12 1.524 -14.107 11.012
109 HD21 LEU 12 HD21 LEU 12 0.261 -13.658 13.748
110 HD22 LEU 12 HD22 LEU 12 0.482 -12.432 12.485
111 HD23 LEU 12 HD23 LEU 12 -1.129 -12.702 13.184
112 H GLN 13 H GLN 13 -3.696 -11.355 10.971
113 HA GLN 13 HA GLN 13 -3.723 -11.448 13.866
114 HB2 GLN 13 HB2 GLN 13 -3.377 -9.381 12.623
115 HB3 GLN 13 HB3 GLN 13 -4.977 -9.521 11.873
116 HG2 GLN 13 HG2 GLN 13 -6.082 -9.201 14.011
117 HG3 GLN 13 HG3 GLN 13 -4.539 -9.329 14.873
118 HE21 GLN 13 HE21 GLN 13 -5.595 -7.186 15.696
119 HE22 GLN 13 HE22 GLN 13 -5.087 -5.736 14.850
120 H ASP 14 H ASP 14 -5.834 -12.669 11.437
121 HA ASP 14 HA ASP 14 -8.266 -12.440 12.967
122 HB2 ASP 14 HB2 ASP 14 -9.176 -14.052 11.246
123 HB3 ASP 14 HB3 ASP 14 -8.576 -12.502 10.666
124 HN1 NH2 15 HN1 NH2 15 -5.619 -14.291 13.657
125 HN2 NH2 15 HN2 NH2 15 -6.421 -15.619 14.469
Start of MODEL 14
1 H1 TRP 1 H1 TRP 1 2.317 7.530 1.488
2 H2 TRP 1 H2 TRP 1 3.057 8.417 2.660
3 H3 TRP 1 H3 TRP 1 1.473 7.996 2.820
4 HA TRP 1 HA TRP 1 3.743 6.143 2.798
5 HB2 TRP 1 HB2 TRP 1 3.661 7.455 4.846
6 HB3 TRP 1 HB3 TRP 1 1.948 7.056 5.045
7 HD1 TRP 1 HD1 TRP 1 5.395 5.371 5.183
8 HE1 TRP 1 HE1 TRP 1 5.273 3.313 6.681
9 HE3 TRP 1 HE3 TRP 1 0.360 5.329 6.072
10 HZ2 TRP 1 HZ2 TRP 1 3.236 1.815 8.095
11 HZ3 TRP 1 HZ3 TRP 1 -0.633 3.589 7.527
12 HH2 TRP 1 HH2 TRP 1 0.782 1.825 8.531
13 H TYR 2 H TYR 2 3.286 3.997 2.554
14 HA TYR 2 HA TYR 2 0.597 3.427 1.713
15 HB2 TYR 2 HB2 TYR 2 3.083 1.797 1.675
16 HB3 TYR 2 HB3 TYR 2 1.486 1.087 1.401
17 HD1 TYR 2 HD1 TYR 2 -0.064 2.240 -0.315
18 HD2 TYR 2 HD2 TYR 2 4.198 2.785 -0.174
19 HE1 TYR 2 HE1 TYR 2 -0.098 3.032 -2.664
20 HE2 TYR 2 HE2 TYR 2 4.184 3.561 -2.531
21 HH TYR 2 HH TYR 2 2.912 4.006 -4.369
22 H HIS 3 H HIS 3 -0.955 3.369 3.049
23 HA HIS 3 HA HIS 3 -0.728 2.027 5.638
24 HB2 HIS 3 HB2 HIS 3 -3.051 2.809 5.890
25 HB3 HIS 3 HB3 HIS 3 -1.956 4.099 5.318
26 HD2 HIS 3 HD2 HIS 3 -2.802 5.465 3.313
27 HE1 HIS 3 HE1 HIS 3 -5.672 2.749 1.742
28 HE2 HIS 3 HE2 HIS 3 -4.654 5.069 1.499
29 H ARG 4 H ARG 4 -1.377 1.084 2.453
30 HA ARG 4 HA ARG 4 -3.389 -0.902 2.832
31 HB2 ARG 4 HB2 ARG 4 -1.943 0.219 0.706
32 HB3 ARG 4 HB3 ARG 4 -1.413 -1.464 0.709
33 HG2 ARG 4 HG2 ARG 4 -4.289 -0.479 0.629
34 HG3 ARG 4 HG3 ARG 4 -3.367 -1.133 -0.739
35 HD2 ARG 4 HD2 ARG 4 -3.126 -3.295 0.483
36 HD3 ARG 4 HD3 ARG 4 -4.146 -2.660 1.782
37 HE ARG 4 HE ARG 4 -4.997 -3.439 -0.940
38 HH11 ARG 4 HH11 ARG 4 -5.906 -2.003 2.176
39 HH12 ARG 4 HH12 ARG 4 -7.617 -2.255 1.901
40 HH21 ARG 4 HH21 ARG 4 -7.224 -3.723 -1.245
41 HH22 ARG 4 HH22 ARG 4 -8.356 -3.193 -0.020
42 H LEU 5 H LEU 5 -0.114 -0.813 3.876
43 HA LEU 5 HA LEU 5 0.594 -3.562 3.645
44 HB2 LEU 5 HB2 LEU 5 2.207 -1.778 4.094
45 HB3 LEU 5 HB3 LEU 5 1.399 -1.392 5.619
46 HG LEU 5 HG LEU 5 2.001 -3.619 6.526
47 HD11 LEU 5 HD11 LEU 5 3.501 -3.934 3.888
48 HD12 LEU 5 HD12 LEU 5 3.642 -5.013 5.295
49 HD13 LEU 5 HD13 LEU 5 2.108 -4.908 4.410
50 HD21 LEU 5 HD21 LEU 5 4.421 -3.199 6.715
51 HD22 LEU 5 HD22 LEU 5 4.345 -2.079 5.334
52 HD23 LEU 5 HD23 LEU 5 3.498 -1.689 6.855
53 H SER 6 H SER 6 -1.615 -1.874 5.804
54 HA SER 6 HA SER 6 -1.570 -3.724 7.973
55 HB2 SER 6 HB2 SER 6 -2.512 -1.466 8.123
56 HB3 SER 6 HB3 SER 6 -3.770 -1.891 6.950
57 HG SER 6 HG SER 6 -4.475 -2.063 9.126
58 H HIS 7 H HIS 7 -2.836 -4.019 4.749
59 HA HIS 7 HA HIS 7 -4.939 -5.897 5.282
60 HB2 HIS 7 HB2 HIS 7 -4.634 -4.567 3.189
61 HB3 HIS 7 HB3 HIS 7 -3.197 -5.523 2.815
62 HD2 HIS 7 HD2 HIS 7 -6.928 -5.486 2.399
63 HE1 HIS 7 HE1 HIS 7 -5.724 -9.380 1.188
64 HE2 HIS 7 HE2 HIS 7 -7.651 -7.712 1.224
65 H ILE 8 H ILE 8 -1.416 -6.144 5.018
66 HA ILE 8 HA ILE 8 -1.466 -9.033 4.670
67 HB ILE 8 HB ILE 8 0.729 -6.977 5.118
68 HG12 ILE 8 HG12 ILE 8 1.511 -7.813 2.920
69 HG13 ILE 8 HG13 ILE 8 0.132 -8.914 2.837
70 HG21 ILE 8 HG21 ILE 8 2.352 -8.830 4.817
71 HG22 ILE 8 HG22 ILE 8 1.441 -8.971 6.331
72 HG23 ILE 8 HG23 ILE 8 1.022 -10.004 4.951
73 HD11 ILE 8 HD11 ILE 8 -0.121 -6.798 1.490
74 HD12 ILE 8 HD12 ILE 8 -1.410 -7.039 2.670
75 HD13 ILE 8 HD13 ILE 8 -0.101 -5.872 3.008
76 H HIS 9 H HIS 9 -0.928 -6.721 7.364
77 HA HIS 9 HA HIS 9 -0.189 -8.801 9.237
78 HB2 HIS 9 HB2 HIS 9 -1.079 -5.921 9.619
79 HB3 HIS 9 HB3 HIS 9 -0.488 -6.970 10.910
80 HD2 HIS 9 HD2 HIS 9 2.012 -6.704 11.420
81 HE1 HIS 9 HE1 HIS 9 3.411 -5.319 7.657
82 HE2 HIS 9 HE2 HIS 9 4.075 -5.863 10.057
83 H SER 10 H SER 10 -3.250 -7.194 8.325
84 HA SER 10 HA SER 10 -4.715 -8.315 10.551
85 HB2 SER 10 HB2 SER 10 -6.699 -7.513 9.328
86 HB3 SER 10 HB3 SER 10 -5.455 -6.257 9.491
87 HG SER 10 HG SER 10 -4.915 -6.496 7.400
88 H ARG 11 H ARG 11 -3.668 -9.536 7.444
89 HA ARG 11 HA ARG 11 -5.689 -11.607 7.225
90 HB2 ARG 11 HB2 ARG 11 -4.375 -10.767 5.308
91 HB3 ARG 11 HB3 ARG 11 -2.887 -11.380 6.050
92 HG2 ARG 11 HG2 ARG 11 -3.765 -13.700 5.921
93 HG3 ARG 11 HG3 ARG 11 -5.283 -13.080 5.232
94 HD2 ARG 11 HD2 ARG 11 -3.872 -13.912 3.438
95 HD3 ARG 11 HD3 ARG 11 -4.022 -12.152 3.313
96 HE ARG 11 HE ARG 11 -1.662 -13.353 4.694
97 HH11 ARG 11 HH11 ARG 11 -2.967 -11.525 1.949
98 HH12 ARG 11 HH12 ARG 11 -1.391 -10.988 1.426
99 HH21 ARG 11 HH21 ARG 11 0.359 -12.604 3.993
100 HH22 ARG 11 HH22 ARG 11 0.479 -11.595 2.568
101 H LEU 12 H LEU 12 -2.507 -11.294 8.790
102 HA LEU 12 HA LEU 12 -2.386 -14.098 9.552
103 HB2 LEU 12 HB2 LEU 12 -0.369 -12.848 9.155
104 HB3 LEU 12 HB3 LEU 12 -0.820 -11.604 10.321
105 HG LEU 12 HG LEU 12 -0.594 -14.448 11.305
106 HD11 LEU 12 HD11 LEU 12 1.412 -14.138 9.911
107 HD12 LEU 12 HD12 LEU 12 1.771 -12.608 10.759
108 HD13 LEU 12 HD13 LEU 12 1.829 -14.154 11.636
109 HD21 LEU 12 HD21 LEU 12 -1.279 -12.597 12.863
110 HD22 LEU 12 HD22 LEU 12 0.293 -13.290 13.309
111 HD23 LEU 12 HD23 LEU 12 0.216 -11.733 12.456
112 H GLN 13 H GLN 13 -3.700 -11.108 10.867
113 HA GLN 13 HA GLN 13 -4.017 -12.066 13.575
114 HB2 GLN 13 HB2 GLN 13 -3.845 -9.702 12.997
115 HB3 GLN 13 HB3 GLN 13 -5.334 -9.801 12.028
116 HG2 GLN 13 HG2 GLN 13 -6.656 -10.305 14.013
117 HG3 GLN 13 HG3 GLN 13 -5.195 -10.389 15.010
118 HE21 GLN 13 HE21 GLN 13 -6.851 -8.742 16.110
119 HE22 GLN 13 HE22 GLN 13 -6.530 -7.062 15.734
120 H ASP 14 H ASP 14 -5.844 -12.444 10.598
121 HA ASP 14 HA ASP 14 -8.357 -13.153 11.877
122 HB2 ASP 14 HB2 ASP 14 -7.990 -12.207 9.529
123 HB3 ASP 14 HB3 ASP 14 -7.325 -13.783 9.070
124 HN1 NH2 15 HN1 NH2 15 -5.312 -14.689 11.675
125 HN2 NH2 15 HN2 NH2 15 -5.839 -16.350 11.823
Start of MODEL 15
1 H1 TRP 1 H1 TRP 1 -1.061 4.749 -0.572
2 H2 TRP 1 H2 TRP 1 -0.661 6.152 -1.331
3 H3 TRP 1 H3 TRP 1 -0.985 6.157 0.282
4 HA TRP 1 HA TRP 1 1.250 4.779 -1.014
5 HB2 TRP 1 HB2 TRP 1 1.691 7.099 -1.161
6 HB3 TRP 1 HB3 TRP 1 1.123 7.383 0.488
7 HD1 TRP 1 HD1 TRP 1 4.179 6.247 -1.439
8 HE1 TRP 1 HE1 TRP 1 6.194 6.086 0.113
9 HE3 TRP 1 HE3 TRP 1 1.808 6.941 3.047
10 HZ2 TRP 1 HZ2 TRP 1 6.714 6.159 2.957
11 HZ3 TRP 1 HZ3 TRP 1 3.077 6.811 5.154
12 HH2 TRP 1 HH2 TRP 1 5.536 6.434 5.130
13 H TYR 2 H TYR 2 1.934 3.120 0.015
14 HA TYR 2 HA TYR 2 2.447 1.630 1.528
15 HB2 TYR 2 HB2 TYR 2 4.286 2.864 1.920
16 HB3 TYR 2 HB3 TYR 2 3.397 4.139 2.753
17 HD1 TYR 2 HD1 TYR 2 2.722 3.954 5.083
18 HD2 TYR 2 HD2 TYR 2 5.047 0.886 3.165
19 HE1 TYR 2 HE1 TYR 2 3.321 3.018 7.304
20 HE2 TYR 2 HE2 TYR 2 5.655 -0.046 5.374
21 HH TYR 2 HH TYR 2 5.436 0.151 7.640
22 H HIS 3 H HIS 3 -0.147 3.554 2.778
23 HA HIS 3 HA HIS 3 -0.320 2.278 5.322
24 HB2 HIS 3 HB2 HIS 3 -2.562 3.258 5.400
25 HB3 HIS 3 HB3 HIS 3 -1.375 4.423 4.790
26 HD2 HIS 3 HD2 HIS 3 -2.168 5.741 2.735
27 HE1 HIS 3 HE1 HIS 3 -5.062 3.035 1.184
28 HE2 HIS 3 HE2 HIS 3 -3.994 5.332 0.900
29 H ARG 4 H ARG 4 -0.964 1.172 2.168
30 HA ARG 4 HA ARG 4 -3.125 -0.628 2.629
31 HB2 ARG 4 HB2 ARG 4 -1.359 0.124 0.488
32 HB3 ARG 4 HB3 ARG 4 -1.321 -1.639 0.613
33 HG2 ARG 4 HG2 ARG 4 -3.845 0.058 0.424
34 HG3 ARG 4 HG3 ARG 4 -3.106 -0.825 -0.923
35 HD2 ARG 4 HD2 ARG 4 -3.396 -2.959 0.333
36 HD3 ARG 4 HD3 ARG 4 -4.216 -2.083 1.627
37 HE ARG 4 HE ARG 4 -5.241 -2.623 -1.106
38 HH11 ARG 4 HH11 ARG 4 -5.793 -1.135 2.074
39 HH12 ARG 4 HH12 ARG 4 -7.513 -0.993 1.813
40 HH21 ARG 4 HH21 ARG 4 -7.486 -2.410 -1.384
41 HH22 ARG 4 HH22 ARG 4 -8.463 -1.711 -0.116
42 H LEU 5 H LEU 5 0.170 -0.753 3.682
43 HA LEU 5 HA LEU 5 0.532 -3.593 3.723
44 HB2 LEU 5 HB2 LEU 5 2.393 -2.062 3.945
45 HB3 LEU 5 HB3 LEU 5 1.668 -1.296 5.362
46 HG LEU 5 HG LEU 5 1.934 -3.380 6.667
47 HD11 LEU 5 HD11 LEU 5 3.373 -5.188 5.758
48 HD12 LEU 5 HD12 LEU 5 1.866 -5.032 4.832
49 HD13 LEU 5 HD13 LEU 5 3.389 -4.378 4.174
50 HD21 LEU 5 HD21 LEU 5 4.379 -3.274 6.867
51 HD22 LEU 5 HD22 LEU 5 4.471 -2.416 5.307
52 HD23 LEU 5 HD23 LEU 5 3.676 -1.650 6.700
53 H SER 6 H SER 6 -1.318 -1.390 5.764
54 HA SER 6 HA SER 6 -1.444 -3.036 8.089
55 HB2 SER 6 HB2 SER 6 -3.347 -1.630 8.700
56 HB3 SER 6 HB3 SER 6 -2.026 -0.639 8.049
57 HG SER 6 HG SER 6 -3.147 -0.415 6.154
58 H HIS 7 H HIS 7 -2.837 -3.467 4.953
59 HA HIS 7 HA HIS 7 -5.166 -4.989 5.837
60 HB2 HIS 7 HB2 HIS 7 -5.076 -3.720 3.705
61 HB3 HIS 7 HB3 HIS 7 -3.757 -4.750 3.154
62 HD2 HIS 7 HD2 HIS 7 -7.518 -4.602 3.256
63 HE1 HIS 7 HE1 HIS 7 -6.572 -8.520 1.894
64 HE2 HIS 7 HE2 HIS 7 -8.445 -6.818 2.204
65 H ILE 8 H ILE 8 -1.786 -5.649 4.967
66 HA ILE 8 HA ILE 8 -2.226 -8.424 4.348
67 HB ILE 8 HB ILE 8 0.306 -6.858 4.989
68 HG12 ILE 8 HG12 ILE 8 -1.042 -7.672 2.376
69 HG13 ILE 8 HG13 ILE 8 -0.956 -6.033 3.045
70 HG21 ILE 8 HG21 ILE 8 0.651 -9.285 5.338
71 HG22 ILE 8 HG22 ILE 8 -0.031 -9.604 3.722
72 HG23 ILE 8 HG23 ILE 8 1.508 -8.724 3.899
73 HD11 ILE 8 HD11 ILE 8 1.380 -7.714 2.047
74 HD12 ILE 8 HD12 ILE 8 0.709 -6.249 1.306
75 HD13 ILE 8 HD13 ILE 8 1.543 -6.141 2.873
76 H HIS 9 H HIS 9 -1.483 -6.667 7.354
77 HA HIS 9 HA HIS 9 -0.617 -8.989 8.808
78 HB2 HIS 9 HB2 HIS 9 -1.698 -6.306 9.710
79 HB3 HIS 9 HB3 HIS 9 -1.049 -7.533 10.801
80 HD2 HIS 9 HD2 HIS 9 1.448 -7.339 11.345
81 HE1 HIS 9 HE1 HIS 9 2.764 -5.052 8.011
82 HE2 HIS 9 HE2 HIS 9 3.469 -6.117 10.217
83 H SER 10 H SER 10 -3.781 -7.915 7.792
84 HA SER 10 HA SER 10 -5.284 -8.979 9.992
85 HB2 SER 10 HB2 SER 10 -7.195 -8.772 8.553
86 HB3 SER 10 HB3 SER 10 -6.153 -7.365 8.270
87 HG SER 10 HG SER 10 -5.474 -8.285 6.366
88 H ARG 11 H ARG 11 -3.591 -10.468 7.333
89 HA ARG 11 HA ARG 11 -5.128 -12.922 7.273
90 HB2 ARG 11 HB2 ARG 11 -2.323 -12.254 6.307
91 HB3 ARG 11 HB3 ARG 11 -3.220 -13.732 5.925
92 HG2 ARG 11 HG2 ARG 11 -5.001 -12.378 4.825
93 HG3 ARG 11 HG3 ARG 11 -4.119 -10.891 5.231
94 HD2 ARG 11 HD2 ARG 11 -3.686 -11.500 2.923
95 HD3 ARG 11 HD3 ARG 11 -2.201 -11.642 3.874
96 HE ARG 11 HE ARG 11 -3.928 -13.931 2.984
97 HH11 ARG 11 HH11 ARG 11 -0.741 -12.658 3.876
98 HH12 ARG 11 HH12 ARG 11 0.074 -14.161 3.507
99 HH21 ARG 11 HH21 ARG 11 -2.828 -15.854 2.519
100 HH22 ARG 11 HH22 ARG 11 -1.099 -15.955 2.753
101 H LEU 12 H LEU 12 -2.499 -11.672 9.230
102 HA LEU 12 HA LEU 12 -1.875 -14.327 10.332
103 HB2 LEU 12 HB2 LEU 12 -0.096 -12.756 9.807
104 HB3 LEU 12 HB3 LEU 12 -0.810 -11.510 10.820
105 HG LEU 12 HG LEU 12 1.216 -12.694 11.708
106 HD11 LEU 12 HD11 LEU 12 0.503 -12.706 13.994
107 HD12 LEU 12 HD12 LEU 12 -0.315 -11.380 13.149
108 HD13 LEU 12 HD13 LEU 12 -1.194 -12.881 13.550
109 HD21 LEU 12 HD21 LEU 12 -0.707 -14.985 12.226
110 HD22 LEU 12 HD22 LEU 12 0.615 -14.979 11.027
111 HD23 LEU 12 HD23 LEU 12 0.979 -14.861 12.764
112 H GLN 13 H GLN 13 -3.623 -11.353 11.095
113 HA GLN 13 HA GLN 13 -4.023 -12.057 13.898
114 HB2 GLN 13 HB2 GLN 13 -5.142 -9.870 12.118
115 HB3 GLN 13 HB3 GLN 13 -5.489 -10.014 13.854
116 HG2 GLN 13 HG2 GLN 13 -3.141 -9.765 14.417
117 HG3 GLN 13 HG3 GLN 13 -2.673 -9.794 12.711
118 HE21 GLN 13 HE21 GLN 13 -1.705 -7.694 13.964
119 HE22 GLN 13 HE22 GLN 13 -2.612 -6.233 13.627
120 H ASP 14 H ASP 14 -5.644 -12.845 10.940
121 HA ASP 14 HA ASP 14 -7.668 -14.306 12.458
122 HB2 ASP 14 HB2 ASP 14 -8.745 -12.158 12.378
123 HB3 ASP 14 HB3 ASP 14 -8.369 -11.974 10.661
124 HN1 NH2 15 HN1 NH2 15 -6.338 -13.333 9.292
125 HN2 NH2 15 HN2 NH2 15 -6.691 -14.854 8.494
Start of MODEL 16
1 H1 TRP 1 H1 TRP 1 1.080 1.532 -1.623
2 H2 TRP 1 H2 TRP 1 0.732 2.929 -2.420
3 H3 TRP 1 H3 TRP 1 -0.362 2.286 -1.370
4 HA TRP 1 HA TRP 1 2.277 3.351 -0.665
5 HB2 TRP 1 HB2 TRP 1 0.632 5.078 -1.310
6 HB3 TRP 1 HB3 TRP 1 -0.485 4.454 -0.100
7 HD1 TRP 1 HD1 TRP 1 2.872 6.256 -0.406
8 HE1 TRP 1 HE1 TRP 1 3.377 7.569 1.719
9 HE3 TRP 1 HE3 TRP 1 -1.058 4.685 2.454
10 HZ2 TRP 1 HZ2 TRP 1 2.246 7.866 4.359
11 HZ3 TRP 1 HZ3 TRP 1 -1.305 5.492 4.790
12 HH2 TRP 1 HH2 TRP 1 0.334 7.070 5.750
13 H TYR 2 H TYR 2 2.193 3.822 1.855
14 HA TYR 2 HA TYR 2 2.428 1.323 2.998
15 HB2 TYR 2 HB2 TYR 2 3.787 2.916 3.863
16 HB3 TYR 2 HB3 TYR 2 2.485 4.089 4.048
17 HD1 TYR 2 HD1 TYR 2 0.923 3.996 5.940
18 HD2 TYR 2 HD2 TYR 2 4.240 1.282 5.612
19 HE1 TYR 2 HE1 TYR 2 0.651 3.389 8.331
20 HE2 TYR 2 HE2 TYR 2 3.997 0.686 8.011
21 HH TYR 2 HH TYR 2 2.829 1.034 9.935
22 H HIS 3 H HIS 3 -0.623 2.883 2.740
23 HA HIS 3 HA HIS 3 -1.821 1.879 5.122
24 HB2 HIS 3 HB2 HIS 3 -3.936 2.232 3.978
25 HB3 HIS 3 HB3 HIS 3 -2.833 3.586 3.703
26 HD2 HIS 3 HD2 HIS 3 -2.907 4.422 1.271
27 HE1 HIS 3 HE1 HIS 3 -3.975 0.824 -0.726
28 HE2 HIS 3 HE2 HIS 3 -3.462 3.310 -1.031
29 H ARG 4 H ARG 4 -0.742 0.241 2.268
30 HA ARG 4 HA ARG 4 -2.490 -2.033 2.397
31 HB2 ARG 4 HB2 ARG 4 0.240 -1.499 1.184
32 HB3 ARG 4 HB3 ARG 4 -0.470 -3.121 1.150
33 HG2 ARG 4 HG2 ARG 4 -1.852 -0.650 0.042
34 HG3 ARG 4 HG3 ARG 4 -0.920 -1.817 -0.917
35 HD2 ARG 4 HD2 ARG 4 -2.411 -3.642 -0.083
36 HD3 ARG 4 HD3 ARG 4 -3.415 -2.428 0.723
37 HE ARG 4 HE ARG 4 -2.977 -2.570 -2.243
38 HH11 ARG 4 HH11 ARG 4 -5.072 -1.818 0.534
39 HH12 ARG 4 HH12 ARG 4 -6.433 -1.426 -0.487
40 HH21 ARG 4 HH21 ARG 4 -4.768 -2.037 -3.503
41 HH22 ARG 4 HH22 ARG 4 -6.261 -1.527 -2.752
42 H LEU 5 H LEU 5 0.042 -1.088 4.565
43 HA LEU 5 HA LEU 5 0.862 -3.765 5.246
44 HB2 LEU 5 HB2 LEU 5 1.079 -0.989 6.432
45 HB3 LEU 5 HB3 LEU 5 1.326 -2.345 7.514
46 HG LEU 5 HG LEU 5 3.441 -1.462 6.556
47 HD11 LEU 5 HD11 LEU 5 4.416 -3.614 5.977
48 HD12 LEU 5 HD12 LEU 5 3.257 -3.808 7.307
49 HD13 LEU 5 HD13 LEU 5 2.810 -4.304 5.657
50 HD21 LEU 5 HD21 LEU 5 4.024 -1.867 4.226
51 HD22 LEU 5 HD22 LEU 5 2.417 -2.554 3.907
52 HD23 LEU 5 HD23 LEU 5 2.577 -0.834 4.313
53 H SER 6 H SER 6 -1.739 -1.599 6.332
54 HA SER 6 HA SER 6 -2.582 -3.213 8.544
55 HB2 SER 6 HB2 SER 6 -3.257 -0.861 8.228
56 HB3 SER 6 HB3 SER 6 -4.169 -1.307 6.768
57 HG SER 6 HG SER 6 -5.482 -2.614 8.068
58 H HIS 7 H HIS 7 -2.754 -3.739 5.132
59 HA HIS 7 HA HIS 7 -5.081 -5.535 5.289
60 HB2 HIS 7 HB2 HIS 7 -4.514 -4.004 3.330
61 HB3 HIS 7 HB3 HIS 7 -3.135 -5.052 3.000
62 HD2 HIS 7 HD2 HIS 7 -6.747 -4.682 2.195
63 HE1 HIS 7 HE1 HIS 7 -5.820 -8.693 1.123
64 HE2 HIS 7 HE2 HIS 7 -7.545 -6.839 0.928
65 H ILE 8 H ILE 8 -1.515 -5.675 4.932
66 HA ILE 8 HA ILE 8 -1.439 -8.501 4.429
67 HB ILE 8 HB ILE 8 0.664 -6.498 5.322
68 HG12 ILE 8 HG12 ILE 8 0.182 -7.847 2.623
69 HG13 ILE 8 HG13 ILE 8 -0.399 -6.226 3.046
70 HG21 ILE 8 HG21 ILE 8 1.009 -9.384 4.405
71 HG22 ILE 8 HG22 ILE 8 2.329 -8.234 4.712
72 HG23 ILE 8 HG23 ILE 8 1.310 -8.774 6.048
73 HD11 ILE 8 HD11 ILE 8 2.516 -7.102 2.939
74 HD12 ILE 8 HD12 ILE 8 1.675 -6.037 1.794
75 HD13 ILE 8 HD13 ILE 8 1.942 -5.505 3.474
76 H HIS 9 H HIS 9 -1.032 -6.509 7.406
77 HA HIS 9 HA HIS 9 -0.410 -8.797 9.049
78 HB2 HIS 9 HB2 HIS 9 -1.309 -5.955 9.636
79 HB3 HIS 9 HB3 HIS 9 -0.963 -7.140 10.903
80 HD2 HIS 9 HD2 HIS 9 1.340 -6.626 11.912
81 HE1 HIS 9 HE1 HIS 9 3.523 -5.702 8.386
82 HE2 HIS 9 HE2 HIS 9 3.675 -5.999 10.910
83 H SER 10 H SER 10 -3.434 -7.139 8.130
84 HA SER 10 HA SER 10 -5.064 -8.474 10.090
85 HB2 SER 10 HB2 SER 10 -5.742 -6.379 9.056
86 HB3 SER 10 HB3 SER 10 -5.718 -7.127 7.445
87 HG SER 10 HG SER 10 -7.422 -7.762 9.611
88 H ARG 11 H ARG 11 -3.522 -9.627 7.268
89 HA ARG 11 HA ARG 11 -5.532 -11.452 6.323
90 HB2 ARG 11 HB2 ARG 11 -3.582 -10.469 5.069
91 HB3 ARG 11 HB3 ARG 11 -2.515 -11.560 5.965
92 HG2 ARG 11 HG2 ARG 11 -3.643 -13.515 5.038
93 HG3 ARG 11 HG3 ARG 11 -4.872 -12.480 4.267
94 HD2 ARG 11 HD2 ARG 11 -3.120 -11.428 2.880
95 HD3 ARG 11 HD3 ARG 11 -1.886 -12.436 3.642
96 HE ARG 11 HE ARG 11 -3.980 -13.298 1.721
97 HH11 ARG 11 HH11 ARG 11 -1.227 -14.184 3.770
98 HH12 ARG 11 HH12 ARG 11 -0.969 -15.706 2.953
99 HH21 ARG 11 HH21 ARG 11 -3.614 -15.293 0.690
100 HH22 ARG 11 HH22 ARG 11 -2.333 -16.345 1.240
101 H LEU 12 H LEU 12 -3.359 -11.540 9.030
102 HA LEU 12 HA LEU 12 -4.145 -14.346 9.533
103 HB2 LEU 12 HB2 LEU 12 -2.112 -14.454 8.205
104 HB3 LEU 12 HB3 LEU 12 -1.271 -13.366 9.303
105 HG LEU 12 HG LEU 12 -0.696 -15.811 9.442
106 HD11 LEU 12 HD11 LEU 12 -0.175 -14.202 11.256
107 HD12 LEU 12 HD12 LEU 12 -1.684 -14.662 12.076
108 HD13 LEU 12 HD13 LEU 12 -0.417 -15.871 11.808
109 HD21 LEU 12 HD21 LEU 12 -2.985 -16.698 9.224
110 HD22 LEU 12 HD22 LEU 12 -2.145 -17.323 10.657
111 HD23 LEU 12 HD23 LEU 12 -3.386 -16.059 10.838
112 H GLN 13 H GLN 13 -2.641 -11.308 10.705
113 HA GLN 13 HA GLN 13 -2.386 -12.324 13.405
114 HB2 GLN 13 HB2 GLN 13 -2.309 -9.444 12.419
115 HB3 GLN 13 HB3 GLN 13 -1.785 -10.035 14.000
116 HG2 GLN 13 HG2 GLN 13 -0.136 -11.545 12.859
117 HG3 GLN 13 HG3 GLN 13 -0.579 -10.812 11.314
118 HE21 GLN 13 HE21 GLN 13 1.971 -10.580 11.704
119 HE22 GLN 13 HE22 GLN 13 2.445 -9.014 12.327
120 H ASP 14 H ASP 14 -5.091 -11.096 11.646
121 HA ASP 14 HA ASP 14 -6.479 -10.197 14.032
122 HB2 ASP 14 HB2 ASP 14 -7.327 -10.485 11.156
123 HB3 ASP 14 HB3 ASP 14 -8.462 -10.054 12.445
124 HN1 NH2 15 HN1 NH2 15 -5.700 -13.252 13.152
125 HN2 NH2 15 HN2 NH2 15 -7.065 -14.094 13.862
Start of MODEL 17
1 H1 TRP 1 H1 TRP 1 1.273 5.634 -2.028
2 H2 TRP 1 H2 TRP 1 1.337 7.275 -1.899
3 H3 TRP 1 H3 TRP 1 0.116 6.434 -1.173
4 HA TRP 1 HA TRP 1 2.963 6.256 -0.475
5 HB2 TRP 1 HB2 TRP 1 1.838 8.403 0.147
6 HB3 TRP 1 HB3 TRP 1 0.647 7.465 1.050
7 HD1 TRP 1 HD1 TRP 1 4.403 8.280 1.103
8 HE1 TRP 1 HE1 TRP 1 5.291 8.100 3.491
9 HE3 TRP 1 HE3 TRP 1 0.191 6.505 3.388
10 HZ2 TRP 1 HZ2 TRP 1 4.301 7.280 6.076
11 HZ3 TRP 1 HZ3 TRP 1 0.193 6.045 5.821
12 HH2 TRP 1 HH2 TRP 1 2.230 6.427 7.170
13 H TYR 2 H TYR 2 3.439 4.808 1.273
14 HA TYR 2 HA TYR 2 1.669 2.552 1.221
15 HB2 TYR 2 HB2 TYR 2 4.373 2.934 2.397
16 HB3 TYR 2 HB3 TYR 2 3.378 1.533 2.801
17 HD1 TYR 2 HD1 TYR 2 2.319 0.197 0.859
18 HD2 TYR 2 HD2 TYR 2 5.681 2.842 0.413
19 HE1 TYR 2 HE1 TYR 2 2.915 -0.945 -1.246
20 HE2 TYR 2 HE2 TYR 2 6.308 1.682 -1.700
21 HH TYR 2 HH TYR 2 4.386 -1.043 -3.005
22 H HIS 3 H HIS 3 -0.160 2.534 2.166
23 HA HIS 3 HA HIS 3 -0.164 2.736 5.146
24 HB2 HIS 3 HB2 HIS 3 -2.361 3.860 5.008
25 HB3 HIS 3 HB3 HIS 3 -1.086 4.813 4.217
26 HD2 HIS 3 HD2 HIS 3 -1.746 5.745 1.909
27 HE1 HIS 3 HE1 HIS 3 -4.744 2.925 0.818
28 HE2 HIS 3 HE2 HIS 3 -3.528 5.061 0.115
29 H ARG 4 H ARG 4 -0.906 1.144 2.251
30 HA ARG 4 HA ARG 4 -3.234 -0.344 3.138
31 HB2 ARG 4 HB2 ARG 4 -2.922 0.423 0.839
32 HB3 ARG 4 HB3 ARG 4 -1.422 -0.498 0.703
33 HG2 ARG 4 HG2 ARG 4 -3.342 -1.532 -0.432
34 HG3 ARG 4 HG3 ARG 4 -2.611 -2.595 0.782
35 HD2 ARG 4 HD2 ARG 4 -5.061 -2.720 0.905
36 HD3 ARG 4 HD3 ARG 4 -4.417 -1.999 2.382
37 HE ARG 4 HE ARG 4 -5.386 0.054 1.827
38 HH11 ARG 4 HH11 ARG 4 -5.691 -2.197 -0.896
39 HH12 ARG 4 HH12 ARG 4 -6.867 -1.200 -1.722
40 HH21 ARG 4 HH21 ARG 4 -6.921 1.307 0.723
41 HH22 ARG 4 HH22 ARG 4 -7.537 0.779 -0.827
42 H LEU 5 H LEU 5 0.076 -0.657 3.803
43 HA LEU 5 HA LEU 5 0.468 -3.457 3.610
44 HB2 LEU 5 HB2 LEU 5 2.320 -1.930 3.967
45 HB3 LEU 5 HB3 LEU 5 1.597 -1.332 5.466
46 HG LEU 5 HG LEU 5 1.903 -3.561 6.516
47 HD11 LEU 5 HD11 LEU 5 3.370 -4.225 3.920
48 HD12 LEU 5 HD12 LEU 5 3.346 -5.226 5.393
49 HD13 LEU 5 HD13 LEU 5 1.851 -4.966 4.474
50 HD21 LEU 5 HD21 LEU 5 3.629 -1.811 6.750
51 HD22 LEU 5 HD22 LEU 5 4.346 -3.438 6.717
52 HD23 LEU 5 HD23 LEU 5 4.427 -2.402 5.276
53 H SER 6 H SER 6 -1.375 -1.528 5.920
54 HA SER 6 HA SER 6 -1.406 -3.415 8.058
55 HB2 SER 6 HB2 SER 6 -3.394 -1.264 7.241
56 HB3 SER 6 HB3 SER 6 -3.455 -2.158 8.771
57 HG SER 6 HG SER 6 -1.331 -0.522 7.853
58 H HIS 7 H HIS 7 -2.858 -3.609 4.932
59 HA HIS 7 HA HIS 7 -5.133 -5.232 5.697
60 HB2 HIS 7 HB2 HIS 7 -5.034 -3.901 3.614
61 HB3 HIS 7 HB3 HIS 7 -3.661 -4.866 3.058
62 HD2 HIS 7 HD2 HIS 7 -7.415 -4.785 3.021
63 HE1 HIS 7 HE1 HIS 7 -6.367 -8.652 1.589
64 HE2 HIS 7 HE2 HIS 7 -8.271 -6.976 1.873
65 H ILE 8 H ILE 8 -1.721 -5.817 4.870
66 HA ILE 8 HA ILE 8 -2.078 -8.613 4.287
67 HB ILE 8 HB ILE 8 0.302 -6.825 4.850
68 HG12 ILE 8 HG12 ILE 8 0.933 -7.474 2.545
69 HG13 ILE 8 HG13 ILE 8 -0.522 -8.471 2.420
70 HG21 ILE 8 HG21 ILE 8 0.363 -9.826 4.356
71 HG22 ILE 8 HG22 ILE 8 1.774 -8.742 4.305
72 HG23 ILE 8 HG23 ILE 8 0.907 -8.982 5.829
73 HD11 ILE 8 HD11 ILE 8 -1.945 -6.494 2.540
74 HD12 ILE 8 HD12 ILE 8 -0.532 -5.460 2.897
75 HD13 ILE 8 HD13 ILE 8 -0.702 -6.238 1.306
76 H HIS 9 H HIS 9 -1.365 -6.746 7.232
77 HA HIS 9 HA HIS 9 -0.629 -9.015 8.821
78 HB2 HIS 9 HB2 HIS 9 -1.595 -6.236 9.560
79 HB3 HIS 9 HB3 HIS 9 -0.985 -7.426 10.717
80 HD2 HIS 9 HD2 HIS 9 1.516 -7.158 11.280
81 HE1 HIS 9 HE1 HIS 9 2.887 -5.294 7.714
82 HE2 HIS 9 HE2 HIS 9 3.562 -6.112 10.030
83 H SER 10 H SER 10 -3.732 -7.971 7.661
84 HA SER 10 HA SER 10 -5.281 -8.854 9.927
85 HB2 SER 10 HB2 SER 10 -7.168 -8.670 8.464
86 HB3 SER 10 HB3 SER 10 -6.085 -7.316 8.079
87 HG SER 10 HG SER 10 -5.427 -8.399 6.253
88 H ARG 11 H ARG 11 -3.640 -10.491 7.291
89 HA ARG 11 HA ARG 11 -5.187 -12.939 7.435
90 HB2 ARG 11 HB2 ARG 11 -2.408 -12.376 6.335
91 HB3 ARG 11 HB3 ARG 11 -3.366 -13.850 6.064
92 HG2 ARG 11 HG2 ARG 11 -5.131 -12.516 4.960
93 HG3 ARG 11 HG3 ARG 11 -4.196 -11.031 5.236
94 HD2 ARG 11 HD2 ARG 11 -3.855 -11.798 2.945
95 HD3 ARG 11 HD3 ARG 11 -2.350 -11.937 3.865
96 HE ARG 11 HE ARG 11 -4.191 -14.223 3.228
97 HH11 ARG 11 HH11 ARG 11 -0.921 -12.974 3.760
98 HH12 ARG 11 HH12 ARG 11 -0.167 -14.523 3.457
99 HH21 ARG 11 HH21 ARG 11 -3.174 -16.213 2.838
100 HH22 ARG 11 HH22 ARG 11 -1.435 -16.340 2.921
101 H LEU 12 H LEU 12 -2.473 -11.573 9.208
102 HA LEU 12 HA LEU 12 -1.785 -14.140 10.465
103 HB2 LEU 12 HB2 LEU 12 -0.023 -12.591 9.954
104 HB3 LEU 12 HB3 LEU 12 -0.827 -11.268 10.807
105 HG LEU 12 HG LEU 12 -0.162 -13.759 12.366
106 HD11 LEU 12 HD11 LEU 12 1.852 -11.608 11.587
107 HD12 LEU 12 HD12 LEU 12 2.109 -12.901 12.780
108 HD13 LEU 12 HD13 LEU 12 1.881 -13.310 11.063
109 HD21 LEU 12 HD21 LEU 12 -1.340 -11.828 13.452
110 HD22 LEU 12 HD22 LEU 12 0.279 -12.076 14.137
111 HD23 LEU 12 HD23 LEU 12 -0.005 -10.763 12.976
112 H GLN 13 H GLN 13 -3.786 -11.308 11.051
113 HA GLN 13 HA GLN 13 -4.181 -11.823 13.876
114 HB2 GLN 13 HB2 GLN 13 -4.403 -9.576 12.923
115 HB3 GLN 13 HB3 GLN 13 -5.690 -10.133 11.843
116 HG2 GLN 13 HG2 GLN 13 -6.671 -8.940 13.716
117 HG3 GLN 13 HG3 GLN 13 -7.129 -10.641 13.794
118 HE21 GLN 13 HE21 GLN 13 -7.626 -9.919 16.100
119 HE22 GLN 13 HE22 GLN 13 -6.314 -10.014 17.259
120 H ASP 14 H ASP 14 -5.691 -12.890 10.878
121 HA ASP 14 HA ASP 14 -8.006 -13.996 12.211
122 HB2 ASP 14 HB2 ASP 14 -7.005 -14.130 9.378
123 HB3 ASP 14 HB3 ASP 14 -8.414 -15.049 9.941
124 HN1 NH2 15 HN1 NH2 15 -4.943 -15.046 12.508
125 HN2 NH2 15 HN2 NH2 15 -5.246 -16.764 12.650
Start of MODEL 18
1 H1 TRP 1 H1 TRP 1 4.880 4.868 -0.759
2 H2 TRP 1 H2 TRP 1 5.691 3.508 -1.219
3 H3 TRP 1 H3 TRP 1 6.497 4.750 -0.494
4 HA TRP 1 HA TRP 1 6.179 2.951 1.029
5 HB2 TRP 1 HB2 TRP 1 6.299 5.205 1.927
6 HB3 TRP 1 HB3 TRP 1 4.572 5.441 1.608
7 HD1 TRP 1 HD1 TRP 1 6.884 3.405 3.917
8 HE1 TRP 1 HE1 TRP 1 5.631 2.806 6.055
9 HE3 TRP 1 HE3 TRP 1 2.275 5.210 2.666
10 HZ2 TRP 1 HZ2 TRP 1 2.956 3.109 7.120
11 HZ3 TRP 1 HZ3 TRP 1 0.399 5.071 4.272
12 HH2 TRP 1 HH2 TRP 1 0.718 4.018 6.490
13 H TYR 2 H TYR 2 4.954 1.254 1.722
14 HA TYR 2 HA TYR 2 2.406 0.978 0.413
15 HB2 TYR 2 HB2 TYR 2 4.042 -0.932 2.004
16 HB3 TYR 2 HB3 TYR 2 2.348 -1.253 1.594
17 HD1 TYR 2 HD1 TYR 2 5.658 -1.658 0.435
18 HD2 TYR 2 HD2 TYR 2 1.664 -0.806 -0.909
19 HE1 TYR 2 HE1 TYR 2 6.273 -2.403 -1.855
20 HE2 TYR 2 HE2 TYR 2 2.263 -1.529 -3.194
21 HH TYR 2 HH TYR 2 3.923 -2.344 -4.563
22 H HIS 3 H HIS 3 0.810 2.110 1.011
23 HA HIS 3 HA HIS 3 0.101 2.549 3.790
24 HB2 HIS 3 HB2 HIS 3 -1.852 3.673 2.747
25 HB3 HIS 3 HB3 HIS 3 -0.294 4.151 2.027
26 HD2 HIS 3 HD2 HIS 3 -0.147 4.095 -0.529
27 HE1 HIS 3 HE1 HIS 3 -3.448 1.557 -1.391
28 HE2 HIS 3 HE2 HIS 3 -1.605 3.005 -2.406
29 H ARG 4 H ARG 4 -0.494 0.034 1.501
30 HA ARG 4 HA ARG 4 -2.941 -0.915 2.773
31 HB2 ARG 4 HB2 ARG 4 -2.787 -2.796 1.203
32 HB3 ARG 4 HB3 ARG 4 -2.743 -1.213 0.440
33 HG2 ARG 4 HG2 ARG 4 -1.180 -2.558 -0.687
34 HG3 ARG 4 HG3 ARG 4 -0.226 -1.423 0.275
35 HD2 ARG 4 HD2 ARG 4 0.208 -3.167 1.957
36 HD3 ARG 4 HD3 ARG 4 -0.850 -4.295 1.094
37 HE ARG 4 HE ARG 4 1.889 -3.506 0.380
38 HH11 ARG 4 HH11 ARG 4 -1.097 -5.074 -0.710
39 HH12 ARG 4 HH12 ARG 4 -0.290 -5.960 -1.986
40 HH21 ARG 4 HH21 ARG 4 2.896 -4.688 -1.272
41 HH22 ARG 4 HH22 ARG 4 1.946 -5.747 -2.297
42 H LEU 5 H LEU 5 -0.083 -0.778 4.152
43 HA LEU 5 HA LEU 5 0.693 -3.405 4.800
44 HB2 LEU 5 HB2 LEU 5 2.101 -1.499 5.286
45 HB3 LEU 5 HB3 LEU 5 0.847 -0.763 6.289
46 HG LEU 5 HG LEU 5 1.053 -2.611 7.932
47 HD11 LEU 5 HD11 LEU 5 3.395 -3.470 6.180
48 HD12 LEU 5 HD12 LEU 5 3.005 -4.131 7.788
49 HD13 LEU 5 HD13 LEU 5 1.891 -4.388 6.432
50 HD21 LEU 5 HD21 LEU 5 2.335 -0.527 8.204
51 HD22 LEU 5 HD22 LEU 5 3.233 -1.928 8.830
52 HD23 LEU 5 HD23 LEU 5 3.672 -1.214 7.256
53 H SER 6 H SER 6 -1.973 -1.416 6.060
54 HA SER 6 HA SER 6 -2.443 -2.872 8.460
55 HB2 SER 6 HB2 SER 6 -4.338 -1.285 6.680
56 HB3 SER 6 HB3 SER 6 -4.691 -1.805 8.340
57 HG SER 6 HG SER 6 -3.863 0.325 8.234
58 H HIS 7 H HIS 7 -2.862 -3.865 5.187
59 HA HIS 7 HA HIS 7 -5.139 -5.608 5.612
60 HB2 HIS 7 HB2 HIS 7 -4.484 -4.710 3.399
61 HB3 HIS 7 HB3 HIS 7 -2.953 -5.586 3.496
62 HD2 HIS 7 HD2 HIS 7 -2.966 -7.775 2.156
63 HE1 HIS 7 HE1 HIS 7 -7.091 -8.769 2.370
64 HE2 HIS 7 HE2 HIS 7 -4.837 -9.460 1.425
65 H ILE 8 H ILE 8 -1.601 -5.877 5.940
66 HA ILE 8 HA ILE 8 -1.586 -8.752 5.993
67 HB ILE 8 HB ILE 8 0.457 -6.713 6.956
68 HG12 ILE 8 HG12 ILE 8 0.121 -8.210 4.321
69 HG13 ILE 8 HG13 ILE 8 -0.097 -6.474 4.576
70 HG21 ILE 8 HG21 ILE 8 0.757 -9.690 6.349
71 HG22 ILE 8 HG22 ILE 8 2.076 -8.580 6.785
72 HG23 ILE 8 HG23 ILE 8 0.811 -8.944 7.966
73 HD11 ILE 8 HD11 ILE 8 2.514 -8.025 4.789
74 HD12 ILE 8 HD12 ILE 8 2.067 -6.845 3.554
75 HD13 ILE 8 HD13 ILE 8 2.326 -6.309 5.232
76 H HIS 9 H HIS 9 -2.008 -6.213 8.401
77 HA HIS 9 HA HIS 9 -1.572 -7.829 10.724
78 HB2 HIS 9 HB2 HIS 9 -3.046 -5.211 10.294
79 HB3 HIS 9 HB3 HIS 9 -2.747 -5.937 11.877
80 HD2 HIS 9 HD2 HIS 9 -0.671 -5.012 13.066
81 HE1 HIS 9 HE1 HIS 9 1.700 -3.906 9.720
82 HE2 HIS 9 HE2 HIS 9 1.580 -3.945 12.258
83 H SER 10 H SER 10 -3.976 -8.180 8.434
84 HA SER 10 HA SER 10 -5.724 -9.517 10.430
85 HB2 SER 10 HB2 SER 10 -6.632 -7.608 8.246
86 HB3 SER 10 HB3 SER 10 -7.711 -8.677 9.170
87 HG SER 10 HG SER 10 -7.572 -6.587 10.073
88 H ARG 11 H ARG 11 -3.965 -9.705 7.525
89 HA ARG 11 HA ARG 11 -5.711 -11.572 6.138
90 HB2 ARG 11 HB2 ARG 11 -4.140 -10.110 4.956
91 HB3 ARG 11 HB3 ARG 11 -2.773 -10.881 5.780
92 HG2 ARG 11 HG2 ARG 11 -3.277 -13.028 4.713
93 HG3 ARG 11 HG3 ARG 11 -4.735 -12.340 3.958
94 HD2 ARG 11 HD2 ARG 11 -3.339 -10.713 2.736
95 HD3 ARG 11 HD3 ARG 11 -1.883 -11.388 3.474
96 HE ARG 11 HE ARG 11 -3.649 -12.732 1.481
97 HH11 ARG 11 HH11 ARG 11 -0.596 -12.655 3.289
98 HH12 ARG 11 HH12 ARG 11 0.138 -13.901 2.307
99 HH21 ARG 11 HH21 ARG 11 -2.653 -14.341 0.229
100 HH22 ARG 11 HH22 ARG 11 -1.020 -14.853 0.587
101 H LEU 12 H LEU 12 -3.126 -11.803 8.516
102 HA LEU 12 HA LEU 12 -3.686 -14.670 8.848
103 HB2 LEU 12 HB2 LEU 12 -2.064 -14.664 7.067
104 HB3 LEU 12 HB3 LEU 12 -0.976 -13.604 7.964
105 HG LEU 12 HG LEU 12 -1.765 -16.202 9.262
106 HD11 LEU 12 HD11 LEU 12 0.237 -15.947 6.979
107 HD12 LEU 12 HD12 LEU 12 0.005 -17.387 8.006
108 HD13 LEU 12 HD13 LEU 12 -1.297 -16.849 6.931
109 HD21 LEU 12 HD21 LEU 12 0.879 -14.680 8.998
110 HD22 LEU 12 HD22 LEU 12 -0.213 -14.590 10.402
111 HD23 LEU 12 HD23 LEU 12 0.593 -16.114 10.014
112 H GLN 13 H GLN 13 -2.212 -11.639 9.944
113 HA GLN 13 HA GLN 13 -1.133 -12.672 12.387
114 HB2 GLN 13 HB2 GLN 13 -0.371 -10.601 11.330
115 HB3 GLN 13 HB3 GLN 13 -1.979 -9.887 11.503
116 HG2 GLN 13 HG2 GLN 13 -0.483 -8.993 13.194
117 HG3 GLN 13 HG3 GLN 13 -1.761 -9.929 13.958
118 HE21 GLN 13 HE21 GLN 13 -0.126 -9.832 15.791
119 HE22 GLN 13 HE22 GLN 13 1.087 -11.093 15.846
120 H ASP 14 H ASP 14 -4.395 -12.062 11.395
121 HA ASP 14 HA ASP 14 -5.447 -11.377 13.960
122 HB2 ASP 14 HB2 ASP 14 -6.724 -10.735 12.118
123 HB3 ASP 14 HB3 ASP 14 -6.665 -12.335 11.395
124 HN1 NH2 15 HN1 NH2 15 -5.539 -12.517 15.738
125 HN2 NH2 15 HN2 NH2 15 -5.762 -14.256 15.829
Start of MODEL 19
1 H1 TRP 1 H1 TRP 1 -0.001 1.740 -2.563
2 H2 TRP 1 H2 TRP 1 -0.158 3.265 -3.166
3 H3 TRP 1 H3 TRP 1 -0.883 2.866 -1.744
4 HA TRP 1 HA TRP 1 2.006 2.953 -2.232
5 HB2 TRP 1 HB2 TRP 1 0.926 5.172 -2.174
6 HB3 TRP 1 HB3 TRP 1 0.243 4.796 -0.598
7 HD1 TRP 1 HD1 TRP 1 3.598 5.494 -2.310
8 HE1 TRP 1 HE1 TRP 1 5.298 6.325 -0.606
9 HE3 TRP 1 HE3 TRP 1 0.835 4.880 1.954
10 HZ2 TRP 1 HZ2 TRP 1 5.474 6.636 2.257
11 HZ3 TRP 1 HZ3 TRP 1 1.808 5.435 4.160
12 HH2 TRP 1 HH2 TRP 1 4.120 6.307 4.329
13 H TYR 2 H TYR 2 3.097 3.115 0.084
14 HA TYR 2 HA TYR 2 2.927 0.563 1.093
15 HB2 TYR 2 HB2 TYR 2 4.949 1.562 1.292
16 HB3 TYR 2 HB3 TYR 2 4.282 3.041 1.978
17 HD1 TYR 2 HD1 TYR 2 3.602 3.180 4.338
18 HD2 TYR 2 HD2 TYR 2 5.575 -0.287 2.734
19 HE1 TYR 2 HE1 TYR 2 4.130 2.431 6.635
20 HE2 TYR 2 HE2 TYR 2 6.133 -1.036 5.034
21 HH TYR 2 HH TYR 2 5.164 0.846 7.924
22 H HIS 3 H HIS 3 0.668 2.948 2.033
23 HA HIS 3 HA HIS 3 0.294 2.098 4.753
24 HB2 HIS 3 HB2 HIS 3 -1.813 3.303 4.616
25 HB3 HIS 3 HB3 HIS 3 -0.524 4.235 3.836
26 HD2 HIS 3 HD2 HIS 3 -1.283 5.339 1.642
27 HE1 HIS 3 HE1 HIS 3 -4.293 2.585 0.432
28 HE2 HIS 3 HE2 HIS 3 -3.105 4.766 -0.152
29 H ARG 4 H ARG 4 -0.362 0.561 1.783
30 HA ARG 4 HA ARG 4 -2.712 -0.907 2.441
31 HB2 ARG 4 HB2 ARG 4 -0.836 -0.693 0.278
32 HB3 ARG 4 HB3 ARG 4 -0.967 -2.410 0.691
33 HG2 ARG 4 HG2 ARG 4 -3.310 -0.547 0.148
34 HG3 ARG 4 HG3 ARG 4 -2.625 -1.697 -1.020
35 HD2 ARG 4 HD2 ARG 4 -3.124 -3.575 0.528
36 HD3 ARG 4 HD3 ARG 4 -3.884 -2.440 1.653
37 HE ARG 4 HE ARG 4 -5.621 -2.003 0.014
38 HH11 ARG 4 HH11 ARG 4 -3.527 -4.759 -0.747
39 HH12 ARG 4 HH12 ARG 4 -4.708 -5.489 -1.813
40 HH21 ARG 4 HH21 ARG 4 -7.112 -2.985 -1.358
41 HH22 ARG 4 HH22 ARG 4 -6.708 -4.483 -2.171
42 H LEU 5 H LEU 5 0.486 -1.147 3.709
43 HA LEU 5 HA LEU 5 0.573 -3.962 4.183
44 HB2 LEU 5 HB2 LEU 5 2.558 -2.618 4.259
45 HB3 LEU 5 HB3 LEU 5 1.902 -1.565 5.513
46 HG LEU 5 HG LEU 5 2.121 -4.503 6.131
47 HD11 LEU 5 HD11 LEU 5 4.484 -4.203 6.802
48 HD12 LEU 5 HD12 LEU 5 4.267 -3.987 5.050
49 HD13 LEU 5 HD13 LEU 5 4.474 -2.568 6.106
50 HD21 LEU 5 HD21 LEU 5 1.208 -2.788 7.779
51 HD22 LEU 5 HD22 LEU 5 2.651 -3.641 8.365
52 HD23 LEU 5 HD23 LEU 5 2.791 -1.984 7.735
53 H SER 6 H SER 6 -1.203 -1.356 5.743
54 HA SER 6 HA SER 6 -1.657 -2.674 8.251
55 HB2 SER 6 HB2 SER 6 -3.201 -0.514 6.772
56 HB3 SER 6 HB3 SER 6 -3.488 -1.006 8.459
57 HG SER 6 HG SER 6 -2.074 0.792 8.284
58 H HIS 7 H HIS 7 -2.816 -3.381 5.093
59 HA HIS 7 HA HIS 7 -5.400 -4.458 5.965
60 HB2 HIS 7 HB2 HIS 7 -4.936 -3.335 3.755
61 HB3 HIS 7 HB3 HIS 7 -3.914 -4.708 3.326
62 HD2 HIS 7 HD2 HIS 7 -7.500 -3.561 3.366
63 HE1 HIS 7 HE1 HIS 7 -7.652 -7.657 2.237
64 HE2 HIS 7 HE2 HIS 7 -8.997 -5.508 2.445
65 H ILE 8 H ILE 8 -2.104 -5.537 5.742
66 HA ILE 8 HA ILE 8 -2.687 -8.277 5.064
67 HB ILE 8 HB ILE 8 -0.199 -6.900 6.154
68 HG12 ILE 8 HG12 ILE 8 -1.004 -7.738 3.327
69 HG13 ILE 8 HG13 ILE 8 -1.048 -6.080 3.954
70 HG21 ILE 8 HG21 ILE 8 -0.508 -9.672 4.921
71 HG22 ILE 8 HG22 ILE 8 1.037 -8.890 5.324
72 HG23 ILE 8 HG23 ILE 8 -0.089 -9.316 6.612
73 HD11 ILE 8 HD11 ILE 8 1.413 -6.199 4.367
74 HD12 ILE 8 HD12 ILE 8 1.434 -7.798 3.577
75 HD13 ILE 8 HD13 ILE 8 0.961 -6.357 2.655
76 H HIS 9 H HIS 9 -2.712 -6.465 8.062
77 HA HIS 9 HA HIS 9 -1.916 -8.524 9.841
78 HB2 HIS 9 HB2 HIS 9 -3.786 -6.173 10.259
79 HB3 HIS 9 HB3 HIS 9 -3.105 -7.174 11.551
80 HD2 HIS 9 HD2 HIS 9 -0.847 -6.354 12.529
81 HE1 HIS 9 HE1 HIS 9 0.407 -3.784 9.386
82 HE2 HIS 9 HE2 HIS 9 0.951 -4.633 11.721
83 H SER 10 H SER 10 -4.973 -8.071 8.115
84 HA SER 10 HA SER 10 -6.463 -9.726 9.977
85 HB2 SER 10 HB2 SER 10 -8.264 -9.564 8.331
86 HB3 SER 10 HB3 SER 10 -7.535 -7.963 8.567
87 HG SER 10 HG SER 10 -7.807 -8.468 6.355
88 H ARG 11 H ARG 11 -4.049 -10.478 7.806
89 HA ARG 11 HA ARG 11 -5.051 -13.285 7.551
90 HB2 ARG 11 HB2 ARG 11 -3.195 -11.765 5.681
91 HB3 ARG 11 HB3 ARG 11 -3.691 -13.455 5.508
92 HG2 ARG 11 HG2 ARG 11 -6.069 -12.713 5.280
93 HG3 ARG 11 HG3 ARG 11 -5.543 -11.026 5.447
94 HD2 ARG 11 HD2 ARG 11 -5.843 -11.524 3.095
95 HD3 ARG 11 HD3 ARG 11 -4.131 -11.261 3.427
96 HE ARG 11 HE ARG 11 -3.671 -13.512 2.999
97 HH11 ARG 11 HH11 ARG 11 -7.165 -12.940 2.955
98 HH12 ARG 11 HH12 ARG 11 -7.519 -14.480 2.199
99 HH21 ARG 11 HH21 ARG 11 -4.175 -15.518 2.041
100 HH22 ARG 11 HH22 ARG 11 -5.835 -15.928 1.687
101 H LEU 12 H LEU 12 -2.511 -11.090 8.544
102 HA LEU 12 HA LEU 12 -0.603 -13.241 9.092
103 HB2 LEU 12 HB2 LEU 12 0.215 -11.148 8.281
104 HB3 LEU 12 HB3 LEU 12 -0.625 -10.231 9.531
105 HG LEU 12 HG LEU 12 1.371 -12.294 10.430
106 HD11 LEU 12 HD11 LEU 12 2.083 -9.580 9.255
107 HD12 LEU 12 HD12 LEU 12 3.199 -10.669 10.133
108 HD13 LEU 12 HD13 LEU 12 2.511 -11.157 8.569
109 HD21 LEU 12 HD21 LEU 12 0.722 -9.440 11.311
110 HD22 LEU 12 HD22 LEU 12 0.074 -10.903 12.079
111 HD23 LEU 12 HD23 LEU 12 1.817 -10.562 12.144
112 H GLN 13 H GLN 13 -3.267 -11.699 10.696
113 HA GLN 13 HA GLN 13 -2.520 -13.075 13.232
114 HB2 GLN 13 HB2 GLN 13 -1.919 -10.638 13.297
115 HB3 GLN 13 HB3 GLN 13 -3.616 -10.243 13.008
116 HG2 GLN 13 HG2 GLN 13 -4.290 -11.325 15.093
117 HG3 GLN 13 HG3 GLN 13 -2.648 -11.919 15.360
118 HE21 GLN 13 HE21 GLN 13 -3.376 -10.658 17.474
119 HE22 GLN 13 HE22 GLN 13 -2.835 -8.995 17.541
120 H ASP 14 H ASP 14 -4.957 -11.971 10.952
121 HA ASP 14 HA ASP 14 -7.166 -12.275 10.805
122 HB2 ASP 14 HB2 ASP 14 -6.497 -14.497 10.324
123 HB3 ASP 14 HB3 ASP 14 -6.394 -14.912 12.032
124 HN1 NH2 15 HN1 NH2 15 -6.497 -10.603 12.930
125 HN2 NH2 15 HN2 NH2 15 -7.756 -10.756 14.137
Start of MODEL 20
1 H1 TRP 1 H1 TRP 1 0.486 1.460 -4.035
2 H2 TRP 1 H2 TRP 1 -0.481 1.066 -2.759
3 H3 TRP 1 H3 TRP 1 0.911 0.233 -3.022
4 HA TRP 1 HA TRP 1 2.238 2.144 -2.568
5 HB2 TRP 1 HB2 TRP 1 0.578 3.770 -3.385
6 HB3 TRP 1 HB3 TRP 1 -0.434 3.452 -1.985
7 HD1 TRP 1 HD1 TRP 1 2.921 5.048 -2.941
8 HE1 TRP 1 HE1 TRP 1 3.628 6.733 -1.172
9 HE3 TRP 1 HE3 TRP 1 -0.755 4.182 0.511
10 HZ2 TRP 1 HZ2 TRP 1 2.754 7.571 1.462
11 HZ3 TRP 1 HZ3 TRP 1 -0.769 5.424 2.652
12 HH2 TRP 1 HH2 TRP 1 0.975 7.112 3.139
13 H TYR 2 H TYR 2 2.411 3.116 -0.198
14 HA TYR 2 HA TYR 2 2.736 0.885 1.385
15 HB2 TYR 2 HB2 TYR 2 4.194 2.568 1.793
16 HB3 TYR 2 HB3 TYR 2 2.941 3.799 1.878
17 HD1 TYR 2 HD1 TYR 2 1.578 4.121 3.886
18 HD2 TYR 2 HD2 TYR 2 4.824 1.301 3.775
19 HE1 TYR 2 HE1 TYR 2 1.538 3.998 6.359
20 HE2 TYR 2 HE2 TYR 2 4.811 1.185 6.254
21 HH TYR 2 HH TYR 2 2.502 3.075 8.238
22 H HIS 3 H HIS 3 -0.311 2.421 1.114
23 HA HIS 3 HA HIS 3 -1.276 2.005 3.760
24 HB2 HIS 3 HB2 HIS 3 -3.493 2.154 2.763
25 HB3 HIS 3 HB3 HIS 3 -2.416 3.374 2.070
26 HD2 HIS 3 HD2 HIS 3 -2.671 3.600 -0.492
27 HE1 HIS 3 HE1 HIS 3 -4.031 -0.313 -1.451
28 HE2 HIS 3 HE2 HIS 3 -3.468 1.989 -2.392
29 H ARG 4 H ARG 4 -0.483 -0.263 1.282
30 HA ARG 4 HA ARG 4 -2.201 -2.410 2.101
31 HB2 ARG 4 HB2 ARG 4 0.306 -2.132 0.451
32 HB3 ARG 4 HB3 ARG 4 -0.169 -3.748 0.986
33 HG2 ARG 4 HG2 ARG 4 -2.038 -1.878 -0.511
34 HG3 ARG 4 HG3 ARG 4 -1.038 -3.136 -1.268
35 HD2 ARG 4 HD2 ARG 4 -2.117 -4.848 0.199
36 HD3 ARG 4 HD3 ARG 4 -3.166 -3.595 0.868
37 HE ARG 4 HE ARG 4 -4.113 -3.280 -1.406
38 HH11 ARG 4 HH11 ARG 4 -2.387 -6.309 -0.743
39 HH12 ARG 4 HH12 ARG 4 -3.220 -7.176 -2.010
40 HH21 ARG 4 HH21 ARG 4 -5.159 -4.441 -3.033
41 HH22 ARG 4 HH22 ARG 4 -4.782 -6.129 -3.295
42 H LEU 5 H LEU 5 0.484 -0.998 3.725
43 HA LEU 5 HA LEU 5 1.519 -3.357 4.948
44 HB2 LEU 5 HB2 LEU 5 2.717 -1.244 4.860
45 HB3 LEU 5 HB3 LEU 5 1.474 -0.438 5.808
46 HG LEU 5 HG LEU 5 3.627 -1.003 6.984
47 HD11 LEU 5 HD11 LEU 5 2.626 -1.576 9.081
48 HD12 LEU 5 HD12 LEU 5 1.502 -0.516 8.197
49 HD13 LEU 5 HD13 LEU 5 1.195 -2.267 8.306
50 HD21 LEU 5 HD21 LEU 5 3.990 -3.268 7.792
51 HD22 LEU 5 HD22 LEU 5 2.562 -3.849 6.913
52 HD23 LEU 5 HD23 LEU 5 3.975 -3.234 6.014
53 H SER 6 H SER 6 -1.123 -1.105 5.838
54 HA SER 6 HA SER 6 -1.687 -2.485 8.328
55 HB2 SER 6 HB2 SER 6 -2.092 -0.070 8.003
56 HB3 SER 6 HB3 SER 6 -3.299 -0.441 6.749
57 HG SER 6 HG SER 6 -4.496 -1.544 8.328
58 H HIS 7 H HIS 7 -2.303 -3.262 5.068
59 HA HIS 7 HA HIS 7 -4.953 -4.413 5.451
60 HB2 HIS 7 HB2 HIS 7 -3.846 -3.414 3.324
61 HB3 HIS 7 HB3 HIS 7 -3.008 -4.958 3.188
62 HD2 HIS 7 HD2 HIS 7 -6.194 -3.251 2.263
63 HE1 HIS 7 HE1 HIS 7 -7.020 -7.386 1.722
64 HE2 HIS 7 HE2 HIS 7 -7.853 -5.018 1.282
65 H ILE 8 H ILE 8 -1.628 -5.405 5.839
66 HA ILE 8 HA ILE 8 -2.089 -8.240 5.533
67 HB ILE 8 HB ILE 8 0.178 -6.571 6.661
68 HG12 ILE 8 HG12 ILE 8 -0.026 -8.143 4.060
69 HG13 ILE 8 HG13 ILE 8 -0.407 -6.417 4.198
70 HG21 ILE 8 HG21 ILE 8 0.123 -9.562 6.079
71 HG22 ILE 8 HG22 ILE 8 1.566 -8.625 6.532
72 HG23 ILE 8 HG23 ILE 8 0.249 -8.813 7.690
73 HD11 ILE 8 HD11 ILE 8 2.302 -7.691 4.761
74 HD12 ILE 8 HD12 ILE 8 1.864 -6.668 3.384
75 HD13 ILE 8 HD13 ILE 8 1.897 -5.969 5.013
76 H HIS 9 H HIS 9 -2.313 -5.930 8.194
77 HA HIS 9 HA HIS 9 -2.183 -7.831 10.334
78 HB2 HIS 9 HB2 HIS 9 -3.491 -5.093 10.141
79 HB3 HIS 9 HB3 HIS 9 -3.297 -6.012 11.637
80 HD2 HIS 9 HD2 HIS 9 -1.231 -5.347 13.013
81 HE1 HIS 9 HE1 HIS 9 1.307 -3.925 9.913
82 HE2 HIS 9 HE2 HIS 9 1.075 -4.261 12.429
83 H SER 10 H SER 10 -3.891 -8.687 11.620
84 HA SER 10 HA SER 10 -5.680 -10.027 11.801
85 HB2 SER 10 HB2 SER 10 -7.080 -7.590 10.649
86 HB3 SER 10 HB3 SER 10 -7.857 -8.956 11.486
87 HG SER 10 HG SER 10 -7.403 -7.221 12.896
88 H ARG 11 H ARG 11 -4.192 -10.201 9.215
89 HA ARG 11 HA ARG 11 -6.213 -11.904 7.870
90 HB2 ARG 11 HB2 ARG 11 -6.250 -9.789 6.656
91 HB3 ARG 11 HB3 ARG 11 -4.485 -9.809 6.500
92 HG2 ARG 11 HG2 ARG 11 -4.583 -11.844 5.127
93 HG3 ARG 11 HG3 ARG 11 -6.349 -11.916 5.333
94 HD2 ARG 11 HD2 ARG 11 -6.555 -9.713 4.220
95 HD3 ARG 11 HD3 ARG 11 -4.800 -9.650 4.016
96 HE ARG 11 HE ARG 11 -4.894 -11.350 2.377
97 HH11 ARG 11 HH11 ARG 11 -8.108 -10.549 3.615
98 HH12 ARG 11 HH12 ARG 11 -8.935 -11.328 2.285
99 HH21 ARG 11 HH21 ARG 11 -5.994 -12.344 0.666
100 HH22 ARG 11 HH22 ARG 11 -7.743 -12.340 0.620
101 H LEU 12 H LEU 12 -2.805 -10.947 8.374
102 HA LEU 12 HA LEU 12 -1.814 -13.504 7.370
103 HB2 LEU 12 HB2 LEU 12 -0.521 -11.522 7.029
104 HB3 LEU 12 HB3 LEU 12 -0.549 -11.101 8.740
105 HG LEU 12 HG LEU 12 0.656 -13.751 7.980
106 HD11 LEU 12 HD11 LEU 12 1.564 -12.198 6.298
107 HD12 LEU 12 HD12 LEU 12 2.029 -11.062 7.584
108 HD13 LEU 12 HD13 LEU 12 2.811 -12.661 7.483
109 HD21 LEU 12 HD21 LEU 12 0.545 -13.002 10.375
110 HD22 LEU 12 HD22 LEU 12 2.222 -13.130 9.804
111 HD23 LEU 12 HD23 LEU 12 1.448 -11.537 9.943
112 H GLN 13 H GLN 13 -3.134 -12.315 10.346
113 HA GLN 13 HA GLN 13 -2.104 -14.751 11.735
114 HB2 GLN 13 HB2 GLN 13 -1.846 -13.483 13.768
115 HB3 GLN 13 HB3 GLN 13 -0.895 -12.725 12.478
116 HG2 GLN 13 HG2 GLN 13 -2.646 -11.019 12.167
117 HG3 GLN 13 HG3 GLN 13 -3.649 -11.809 13.401
118 HE21 GLN 13 HE21 GLN 13 -3.492 -9.484 14.254
119 HE22 GLN 13 HE22 GLN 13 -2.164 -9.152 15.350
120 H ASP 14 H ASP 14 -4.894 -13.299 10.558
121 HA ASP 14 HA ASP 14 -6.620 -13.807 12.783
122 HB2 ASP 14 HB2 ASP 14 -7.377 -12.242 11.250
123 HB3 ASP 14 HB3 ASP 14 -7.072 -13.301 9.868
124 HN1 NH2 15 HN1 NH2 15 -7.226 -15.631 13.668
125 HN2 NH2 15 HN2 NH2 15 -7.353 -17.174 12.849