Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
641525 | 6pi2 RC | 30617 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 1HT ARG 1 14.654 1.553 -1.061
2 H2 ARG 1 2HT ARG 1 13.554 2.741 -1.581
3 H3 ARG 1 3HT ARG 1 14.019 1.520 -2.621
4 HA ARG 1 HA ARG 1 12.907 -0.123 -1.338
5 HB2 ARG 1 2HB ARG 1 13.273 1.013 0.855
6 HB3 ARG 1 1HB ARG 1 12.095 2.228 0.387
7 HG2 ARG 1 2HG ARG 1 10.377 0.454 0.277
8 HG3 ARG 1 1HG ARG 1 11.579 -0.699 0.867
9 HD2 ARG 1 2HD ARG 1 10.636 1.780 2.306
10 HD3 ARG 1 1HD ARG 1 10.174 0.130 2.687
11 HE ARG 1 HE ARG 1 12.702 -0.159 3.006
12 HH11 ARG 1 1HH1 ARG 1 10.968 2.829 3.814
13 HH12 ARG 1 2HH1 ARG 1 11.924 3.152 5.191
14 HH21 ARG 1 1HH2 ARG 1 13.996 0.324 4.881
15 HH22 ARG 1 2HH2 ARG 1 13.665 1.708 5.810
16 H TRP 2 HN TRP 2 11.286 -0.567 -2.751
17 HA TRP 2 HA TRP 2 9.844 1.648 -3.884
18 HB2 TRP 2 2HB TRP 2 10.611 -0.157 -5.363
19 HB3 TRP 2 1HB TRP 2 9.637 -1.314 -4.466
20 HD1 TRP 2 1HD TRP 2 8.863 2.061 -6.260
21 HE1 TRP 2 1HE TRP 2 6.707 1.745 -7.635
22 HE3 TRP 2 3HE TRP 2 7.896 -2.821 -5.130
23 HZ2 TRP 2 2HZ TRP 2 4.860 -0.315 -8.183
24 HZ3 TRP 2 3HZ TRP 2 5.920 -3.896 -6.130
25 HH2 TRP 2 2HH TRP 2 4.442 -2.666 -7.623
26 H CYS 3 HN CYS 3 8.125 2.436 -3.021
27 HA CYS 3 HA CYS 3 6.329 0.717 -1.459
28 HB2 CYS 3 2HB CYS 3 7.006 3.635 -1.056
29 HB3 CYS 3 1HB CYS 3 5.745 2.761 -0.198
30 H PHE 4 HN PHE 4 4.225 0.848 -1.862
31 HA PHE 4 HA PHE 4 3.288 2.869 -3.703
32 HB2 PHE 4 2HB PHE 4 2.079 1.150 -5.036
33 HB3 PHE 4 1HB PHE 4 3.833 0.958 -5.072
34 HD1 PHE 4 1HD PHE 4 0.692 -0.483 -3.884
35 HD2 PHE 4 2HD PHE 4 4.903 -0.970 -4.129
36 HE1 PHE 4 1HE PHE 4 0.438 -2.821 -3.242
37 HE2 PHE 4 2HE PHE 4 4.675 -3.336 -3.489
38 HZ PHE 4 HZ PHE 4 2.450 -4.278 -3.047
39 H ARG 5 HN ARG 5 1.002 3.188 -3.548
40 HA ARG 5 HA ARG 5 0.056 2.519 -0.853
41 HB2 ARG 5 2HB ARG 5 0.421 4.946 -1.614
42 HB3 ARG 5 1HB ARG 5 -0.977 4.700 -2.650
43 HG2 ARG 5 2HG ARG 5 -2.350 4.241 -0.691
44 HG3 ARG 5 1HG ARG 5 -0.947 4.510 0.347
45 HD2 ARG 5 2HD ARG 5 -0.751 6.798 -0.660
46 HD3 ARG 5 1HD ARG 5 -2.289 6.501 -1.472
47 HE ARG 5 HE ARG 5 -2.065 6.315 1.433
48 HH11 ARG 5 1HH1 ARG 5 -3.508 7.906 -1.399
49 HH12 ARG 5 2HH1 ARG 5 -4.636 8.799 -0.504
50 HH21 ARG 5 1HH2 ARG 5 -3.635 7.598 2.666
51 HH22 ARG 5 2HH2 ARG 5 -4.691 8.635 1.840
52 H VAL 6 HN VAL 6 -1.703 1.299 -0.655
53 HA VAL 6 HA VAL 6 -3.343 0.773 -3.046
54 HB VAL 6 HB VAL 6 -2.772 -1.157 -0.751
55 HG11 VAL 6 1HG1 VAL 6 -4.964 -1.478 -1.746
56 HG12 VAL 6 2HG1 VAL 6 -3.888 -2.822 -2.136
57 HG13 VAL 6 3HG1 VAL 6 -4.232 -1.587 -3.348
58 HG21 VAL 6 1HG2 VAL 6 -1.759 -1.282 -3.573
59 HG22 VAL 6 2HG2 VAL 6 -1.491 -2.471 -2.297
60 HG23 VAL 6 3HG2 VAL 6 -0.806 -0.852 -2.155
61 H CYS 7 HN CYS 7 -5.525 1.117 -2.734
62 HA CYS 7 HA CYS 7 -6.314 1.720 0.014
63 HB2 CYS 7 2HB CYS 7 -7.510 2.702 -2.586
64 HB3 CYS 7 1HB CYS 7 -8.142 3.058 -0.981
65 H TYR 8 HN TYR 8 -7.707 0.507 0.946
66 HA TYR 8 HA TYR 8 -9.295 -1.391 -0.638
67 HB2 TYR 8 2HB TYR 8 -7.456 -2.537 0.567
68 HB3 TYR 8 1HB TYR 8 -7.988 -1.742 2.050
69 HD1 TYR 8 1HD TYR 8 -9.613 -2.663 3.410
70 HD2 TYR 8 2HD TYR 8 -9.047 -4.251 -0.487
71 HE1 TYR 8 1HE TYR 8 -11.093 -4.498 3.963
72 HE2 TYR 8 2HE TYR 8 -10.540 -6.119 0.057
73 HH TYR 8 HH TYR 8 -11.373 -7.273 2.001
74 H ARG 9 HN ARG 9 -11.257 -0.445 -0.548
75 HA ARG 9 HA ARG 9 -13.267 0.266 0.253
76 HB2 ARG 9 2HB ARG 9 -12.314 -0.973 2.845
77 HB3 ARG 9 1HB ARG 9 -13.962 -0.480 2.515
78 HG2 ARG 9 2HG ARG 9 -12.433 -2.678 1.127
79 HG3 ARG 9 1HG ARG 9 -13.720 -2.881 2.311
80 HD2 ARG 9 2HD ARG 9 -13.974 -1.665 -0.439
81 HD3 ARG 9 1HD ARG 9 -14.580 -3.236 0.072
82 HE ARG 9 HE ARG 9 -15.619 -1.104 1.657
83 HH11 ARG 9 1HH1 ARG 9 -16.043 -2.752 -1.439
84 HH12 ARG 9 2HH1 ARG 9 -17.685 -2.328 -1.581
85 HH21 ARG 9 1HH2 ARG 9 -17.861 -0.515 1.426
86 HH22 ARG 9 2HH2 ARG 9 -18.730 -1.070 0.075
87 H GLY 10 HN GLY 10 -10.795 1.954 0.598
88 HA2 GLY 10 2HA GLY 10 -10.995 4.295 1.126
89 HA3 GLY 10 1HA GLY 10 -11.951 3.846 2.539
90 H ILE 11 HN ILE 11 -9.958 1.568 2.938
91 HA ILE 11 HA ILE 11 -8.201 3.091 4.621
92 HB ILE 11 HB ILE 11 -8.283 0.083 4.122
93 HG12 ILE 11 2HG1 ILE 11 -9.166 -0.004 6.523
94 HG13 ILE 11 1HG1 ILE 11 -9.476 1.719 6.382
95 HG21 ILE 11 1HG2 ILE 11 -6.092 0.829 4.846
96 HG22 ILE 11 2HG2 ILE 11 -6.873 -0.162 6.077
97 HG23 ILE 11 3HG2 ILE 11 -6.811 1.593 6.265
98 HD11 ILE 11 1HD1 ILE 11 -11.484 0.367 6.031
99 HD12 ILE 11 2HD1 ILE 11 -10.679 -0.440 4.670
100 HD13 ILE 11 3HD1 ILE 11 -11.050 1.277 4.580
101 H CYS 12 HN CYS 12 -6.618 4.078 3.562
102 HA CYS 12 HA CYS 12 -5.322 2.645 1.373
103 HB2 CYS 12 2HB CYS 12 -5.116 5.556 2.145
104 HB3 CYS 12 1HB CYS 12 -4.313 4.788 0.779
105 H TYR 13 HN TYR 13 -3.671 1.565 1.839
106 HA TYR 13 HA TYR 13 -1.945 2.480 3.996
107 HB2 TYR 13 2HB TYR 13 -1.412 0.029 4.361
108 HB3 TYR 13 1HB TYR 13 -3.033 0.527 4.826
109 HD1 TYR 13 1HD TYR 13 -4.945 -0.457 3.812
110 HD2 TYR 13 2HD TYR 13 -1.082 -1.235 2.233
111 HE1 TYR 13 1HE TYR 13 -5.890 -2.203 2.402
112 HE2 TYR 13 2HE TYR 13 -2.004 -2.966 0.816
113 HH TYR 13 HH TYR 13 -5.328 -3.396 0.280
114 H ARG 14 HN ARG 14 0.306 1.605 3.741
115 HA ARG 14 HA ARG 14 1.001 1.726 0.895
116 HB2 ARG 14 2HB ARG 14 1.610 3.731 2.134
117 HB3 ARG 14 1HB ARG 14 2.490 2.754 3.296
118 HG2 ARG 14 2HG ARG 14 4.038 2.068 1.531
119 HG3 ARG 14 1HG ARG 14 3.167 3.093 0.389
120 HD2 ARG 14 2HD ARG 14 5.126 4.253 1.204
121 HD3 ARG 14 1HD ARG 14 3.666 5.042 1.796
122 HE ARG 14 HE ARG 14 4.261 3.436 3.842
123 HH11 ARG 14 1HH1 ARG 14 6.292 5.681 1.987
124 HH12 ARG 14 2HH1 ARG 14 7.369 5.969 3.269
125 HH21 ARG 14 1HH2 ARG 14 5.708 3.901 5.610
126 HH22 ARG 14 2HH2 ARG 14 7.032 4.959 5.361
127 H LYS 15 HN LYS 15 1.872 -0.080 0.153
128 HA LYS 15 HA LYS 15 3.152 -1.918 2.031
129 HB2 LYS 15 2HB LYS 15 2.413 -2.305 -0.883
130 HB3 LYS 15 1HB LYS 15 3.229 -3.498 0.102
131 HG2 LYS 15 2HG LYS 15 1.211 -3.604 1.552
132 HG3 LYS 15 1HG LYS 15 0.399 -2.499 0.431
133 HD2 LYS 15 2HD LYS 15 0.803 -4.098 -1.408
134 HD3 LYS 15 1HD LYS 15 1.569 -5.194 -0.267
135 HE2 LYS 15 2HE LYS 15 -1.335 -4.337 -0.255
136 HE3 LYS 15 1HE LYS 15 -0.698 -5.867 -0.795
137 HZ1 LYS 15 1HZ LYS 15 -0.503 -4.905 2.023
138 HZ2 LYS 15 2HZ LYS 15 0.032 -6.390 1.429
139 HZ3 LYS 15 3HZ LYS 15 -1.590 -6.049 1.440
140 H CYS 16 HN CYS 16 5.310 -2.371 1.862
141 HA CYS 16 HA CYS 16 6.845 -1.003 -0.219
142 HB2 CYS 16 2HB CYS 16 7.444 -1.014 2.742
143 HB3 CYS 16 1HB CYS 16 8.546 -0.466 1.490
144 H ARG 17 HN ARG 17 8.255 -2.367 -1.129
145 HA ARG 17 HA ARG 17 8.888 -4.721 0.449
146 HB2 ARG 17 2HB ARG 17 9.497 -5.923 -1.588
147 HB3 ARG 17 1HB ARG 17 7.862 -5.314 -1.707
148 HG2 ARG 17 2HG ARG 17 8.550 -3.607 -3.235
149 HG3 ARG 17 1HG ARG 17 10.251 -4.008 -2.991
150 HD2 ARG 17 2HD ARG 17 9.629 -6.358 -3.780
151 HD3 ARG 17 1HD ARG 17 8.121 -5.643 -4.340
152 HE ARG 17 HE ARG 17 9.729 -4.079 -5.610
153 HH11 ARG 17 1HH1 ARG 17 10.309 -7.556 -5.021
154 HH12 ARG 17 2HH1 ARG 17 11.258 -7.754 -6.403
155 HH21 ARG 17 1HH2 ARG 17 11.038 -4.417 -7.519
156 HH22 ARG 17 2HH2 ARG 17 11.696 -5.951 -7.848
157 HN1 NH2 18 1H ARG 17 10.592 -4.454 1.566
158 HN2 NH2 18 2H ARG 17 12.036 -3.637 1.078
Start of MODEL 2
1 H1 ARG 1 1HT ARG 1 14.157 0.051 -2.945
2 H2 ARG 1 2HT ARG 1 13.209 -1.325 -3.028
3 H3 ARG 1 3HT ARG 1 14.349 -1.163 -1.789
4 HA ARG 1 HA ARG 1 12.107 -0.779 -1.009
5 HB2 ARG 1 2HB ARG 1 13.919 0.390 0.126
6 HB3 ARG 1 1HB ARG 1 13.907 1.656 -1.087
7 HG2 ARG 1 2HG ARG 1 11.713 2.379 -0.296
8 HG3 ARG 1 1HG ARG 1 11.703 1.078 0.894
9 HD2 ARG 1 2HD ARG 1 13.734 3.300 0.742
10 HD3 ARG 1 1HD ARG 1 12.390 3.223 1.879
11 HE ARG 1 HE ARG 1 13.471 1.074 2.648
12 HH11 ARG 1 1HH1 ARG 1 15.443 3.692 1.290
13 HH12 ARG 1 2HH1 ARG 1 16.798 3.328 2.251
14 HH21 ARG 1 1HH2 ARG 1 15.310 0.605 3.935
15 HH22 ARG 1 2HH2 ARG 1 16.737 1.535 3.805
16 H TRP 2 HN TRP 2 10.438 -0.858 -2.470
17 HA TRP 2 HA TRP 2 9.842 1.715 -3.722
18 HB2 TRP 2 2HB TRP 2 10.325 -0.131 -5.356
19 HB3 TRP 2 1HB TRP 2 8.954 -1.010 -4.691
20 HD1 TRP 2 1HD TRP 2 9.618 2.433 -6.320
21 HE1 TRP 2 1HE TRP 2 7.584 3.029 -7.776
22 HE3 TRP 2 3HE TRP 2 6.722 -1.577 -5.290
23 HZ2 TRP 2 2HZ TRP 2 5.083 1.921 -8.422
24 HZ3 TRP 2 3HZ TRP 2 4.498 -1.764 -6.378
25 HH2 TRP 2 2HH TRP 2 3.711 -0.041 -7.906
26 H CYS 3 HN CYS 3 8.156 2.665 -2.875
27 HA CYS 3 HA CYS 3 6.333 1.049 -1.258
28 HB2 CYS 3 2HB CYS 3 7.006 3.981 -1.102
29 HB3 CYS 3 1HB CYS 3 5.819 3.164 -0.088
30 H PHE 4 HN PHE 4 4.272 1.032 -1.627
31 HA PHE 4 HA PHE 4 3.184 2.881 -3.549
32 HB2 PHE 4 2HB PHE 4 2.036 1.023 -4.732
33 HB3 PHE 4 1HB PHE 4 3.794 0.944 -4.834
34 HD1 PHE 4 1HD PHE 4 0.798 -0.731 -3.748
35 HD2 PHE 4 2HD PHE 4 5.036 -0.762 -3.531
36 HE1 PHE 4 1HE PHE 4 0.733 -3.049 -3.002
37 HE2 PHE 4 2HE PHE 4 4.984 -3.106 -2.786
38 HZ PHE 4 HZ PHE 4 2.841 -4.257 -2.536
39 H ARG 5 HN ARG 5 0.928 3.133 -3.322
40 HA ARG 5 HA ARG 5 0.094 2.437 -0.607
41 HB2 ARG 5 2HB ARG 5 0.377 4.858 -1.308
42 HB3 ARG 5 1HB ARG 5 -1.013 4.622 -2.354
43 HG2 ARG 5 2HG ARG 5 -2.388 4.088 -0.419
44 HG3 ARG 5 1HG ARG 5 -0.990 4.303 0.638
45 HD2 ARG 5 2HD ARG 5 -0.788 6.627 -0.250
46 HD3 ARG 5 1HD ARG 5 -2.317 6.376 -1.082
47 HE ARG 5 HE ARG 5 -2.170 6.008 1.810
48 HH11 ARG 5 1HH1 ARG 5 -3.514 7.775 -0.942
49 HH12 ARG 5 2HH1 ARG 5 -4.531 8.746 0.004
50 HH21 ARG 5 1HH2 ARG 5 -3.554 7.318 3.099
51 HH22 ARG 5 2HH2 ARG 5 -4.546 8.497 2.373
52 H VAL 6 HN VAL 6 -1.438 1.012 -0.408
53 HA VAL 6 HA VAL 6 -3.129 0.418 -2.721
54 HB VAL 6 HB VAL 6 -2.339 -1.377 -0.382
55 HG11 VAL 6 1HG1 VAL 6 -4.682 -1.798 -0.992
56 HG12 VAL 6 2HG1 VAL 6 -3.653 -3.147 -1.472
57 HG13 VAL 6 3HG1 VAL 6 -4.213 -1.991 -2.680
58 HG21 VAL 6 1HG2 VAL 6 -1.805 -1.584 -3.333
59 HG22 VAL 6 2HG2 VAL 6 -1.350 -2.773 -2.113
60 HG23 VAL 6 3HG2 VAL 6 -0.637 -1.159 -2.078
61 H CYS 7 HN CYS 7 -5.238 0.721 -2.541
62 HA CYS 7 HA CYS 7 -6.269 1.431 0.087
63 HB2 CYS 7 2HB CYS 7 -7.116 2.438 -2.636
64 HB3 CYS 7 1HB CYS 7 -7.939 2.808 -1.125
65 H TYR 8 HN TYR 8 -7.786 0.265 0.851
66 HA TYR 8 HA TYR 8 -9.320 -1.522 -0.896
67 HB2 TYR 8 2HB TYR 8 -7.735 -2.821 0.440
68 HB3 TYR 8 1HB TYR 8 -8.266 -1.986 1.897
69 HD1 TYR 8 1HD TYR 8 -9.924 -2.961 3.237
70 HD2 TYR 8 2HD TYR 8 -9.559 -4.213 -0.814
71 HE1 TYR 8 1HE TYR 8 -11.590 -4.713 3.635
72 HE2 TYR 8 2HE TYR 8 -11.215 -5.968 -0.427
73 HH TYR 8 HH TYR 8 -12.140 -7.252 1.434
74 H ARG 9 HN ARG 9 -11.089 -0.274 -1.057
75 HA ARG 9 HA ARG 9 -13.070 0.691 -0.583
76 HB2 ARG 9 2HB ARG 9 -12.953 -0.908 1.979
77 HB3 ARG 9 1HB ARG 9 -14.393 -0.221 1.249
78 HG2 ARG 9 2HG ARG 9 -13.878 -1.719 -0.765
79 HG3 ARG 9 1HG ARG 9 -12.720 -2.512 0.287
80 HD2 ARG 9 2HD ARG 9 -15.684 -2.269 0.762
81 HD3 ARG 9 1HD ARG 9 -14.800 -3.730 0.339
82 HE ARG 9 HE ARG 9 -13.946 -2.438 2.772
83 HH11 ARG 9 1HH1 ARG 9 -16.176 -4.825 1.407
84 HH12 ARG 9 2HH1 ARG 9 -16.319 -5.723 2.843
85 HH21 ARG 9 1HH2 ARG 9 -14.183 -3.601 4.735
86 HH22 ARG 9 2HH2 ARG 9 -15.168 -4.989 4.818
87 H GLY 10 HN GLY 10 -10.718 2.115 0.249
88 HA2 GLY 10 2HA GLY 10 -10.880 4.377 1.115
89 HA3 GLY 10 1HA GLY 10 -11.990 3.767 2.331
90 H ILE 11 HN ILE 11 -10.053 1.375 2.618
91 HA ILE 11 HA ILE 11 -8.379 2.669 4.582
92 HB ILE 11 HB ILE 11 -8.599 -0.282 3.825
93 HG12 ILE 11 2HG1 ILE 11 -9.603 -0.537 6.124
94 HG13 ILE 11 1HG1 ILE 11 -9.711 1.215 6.222
95 HG21 ILE 11 1HG2 ILE 11 -7.302 -0.769 5.844
96 HG22 ILE 11 2HG2 ILE 11 -7.060 0.960 6.091
97 HG23 ILE 11 3HG2 ILE 11 -6.390 0.171 4.663
98 HD11 ILE 11 1HD1 ILE 11 -11.247 1.189 4.319
99 HD12 ILE 11 2HD1 ILE 11 -11.839 0.194 5.651
100 HD13 ILE 11 3HD1 ILE 11 -11.099 -0.563 4.238
101 H CYS 12 HN CYS 12 -6.709 3.716 3.668
102 HA CYS 12 HA CYS 12 -5.251 2.298 1.581
103 HB2 CYS 12 2HB CYS 12 -5.139 5.227 2.335
104 HB3 CYS 12 1HB CYS 12 -4.237 4.450 1.040
105 H TYR 13 HN TYR 13 -3.226 1.684 1.902
106 HA TYR 13 HA TYR 13 -1.775 2.712 4.197
107 HB2 TYR 13 2HB TYR 13 -1.036 0.391 4.772
108 HB3 TYR 13 1HB TYR 13 -2.748 0.661 5.054
109 HD1 TYR 13 1HD TYR 13 -4.417 -0.361 3.529
110 HD2 TYR 13 2HD TYR 13 -0.261 -1.240 3.192
111 HE1 TYR 13 1HE TYR 13 -4.954 -2.333 2.208
112 HE2 TYR 13 2HE TYR 13 -0.775 -3.212 1.863
113 HH TYR 13 HH TYR 13 -2.708 -4.758 1.577
114 H ARG 14 HN ARG 14 0.502 2.514 3.945
115 HA ARG 14 HA ARG 14 1.184 2.262 1.123
116 HB2 ARG 14 2HB ARG 14 1.704 4.423 2.275
117 HB3 ARG 14 1HB ARG 14 2.807 3.537 3.322
118 HG2 ARG 14 2HG ARG 14 4.142 2.893 1.408
119 HG3 ARG 14 1HG ARG 14 3.030 3.734 0.332
120 HD2 ARG 14 2HD ARG 14 4.947 5.101 0.703
121 HD3 ARG 14 1HD ARG 14 3.569 5.850 1.508
122 HE ARG 14 HE ARG 14 4.533 4.689 3.566
123 HH11 ARG 14 1HH1 ARG 14 6.494 6.023 0.907
124 HH12 ARG 14 2HH1 ARG 14 7.875 6.302 1.839
125 HH21 ARG 14 1HH2 ARG 14 6.420 5.113 4.898
126 HH22 ARG 14 2HH2 ARG 14 7.824 5.780 4.211
127 H LYS 15 HN LYS 15 2.036 0.475 0.543
128 HA LYS 15 HA LYS 15 3.357 -1.218 2.515
129 HB2 LYS 15 2HB LYS 15 1.402 -2.146 1.278
130 HB3 LYS 15 1HB LYS 15 2.259 -1.875 -0.228
131 HG2 LYS 15 2HG LYS 15 3.986 -3.475 0.484
132 HG3 LYS 15 1HG LYS 15 3.079 -3.729 1.982
133 HD2 LYS 15 2HD LYS 15 1.217 -4.619 0.793
134 HD3 LYS 15 1HD LYS 15 1.936 -4.221 -0.763
135 HE2 LYS 15 2HE LYS 15 3.791 -5.793 -0.245
136 HE3 LYS 15 1HE LYS 15 2.956 -6.236 1.245
137 HZ1 LYS 15 1HZ LYS 15 1.093 -6.991 -0.109
138 HZ2 LYS 15 2HZ LYS 15 2.491 -7.826 -0.497
139 HZ3 LYS 15 3HZ LYS 15 1.931 -6.611 -1.516
140 H CYS 16 HN CYS 16 5.489 -1.601 2.311
141 HA CYS 16 HA CYS 16 6.769 -0.491 -0.075
142 HB2 CYS 16 2HB CYS 16 7.815 -0.552 2.761
143 HB3 CYS 16 1HB CYS 16 8.725 -0.016 1.355
144 H ARG 17 HN ARG 17 7.949 -1.780 -1.223
145 HA ARG 17 HA ARG 17 8.794 -4.285 -0.008
146 HB2 ARG 17 2HB ARG 17 8.668 -5.364 -2.252
147 HB3 ARG 17 1HB ARG 17 7.114 -4.864 -1.623
148 HG2 ARG 17 2HG ARG 17 7.090 -2.973 -3.157
149 HG3 ARG 17 1HG ARG 17 8.700 -3.412 -3.736
150 HD2 ARG 17 2HD ARG 17 7.875 -5.551 -4.521
151 HD3 ARG 17 1HD ARG 17 6.268 -5.193 -3.895
152 HE ARG 17 HE ARG 17 6.422 -3.237 -5.546
153 HH11 ARG 17 1HH1 ARG 17 7.692 -6.496 -6.111
154 HH12 ARG 17 2HH1 ARG 17 7.539 -6.415 -7.800
155 HH21 ARG 17 1HH2 ARG 17 6.182 -3.132 -7.916
156 HH22 ARG 17 2HH2 ARG 17 6.673 -4.483 -8.822
157 HN1 NH2 18 1H ARG 17 10.804 -4.298 0.354
158 HN2 NH2 18 2H ARG 17 12.027 -3.495 -0.561
Start of MODEL 3
1 H1 ARG 1 1HT ARG 1 12.788 -2.450 -4.350
2 H2 ARG 1 2HT ARG 1 11.843 -1.200 -4.979
3 H3 ARG 1 3HT ARG 1 11.334 -2.072 -3.636
4 HA ARG 1 HA ARG 1 13.083 -1.276 -2.268
5 HB2 ARG 1 2HB ARG 1 14.682 -0.944 -4.206
6 HB3 ARG 1 1HB ARG 1 13.799 0.525 -4.594
7 HG2 ARG 1 2HG ARG 1 14.336 1.242 -2.184
8 HG3 ARG 1 1HG ARG 1 15.530 -0.054 -2.210
9 HD2 ARG 1 2HD ARG 1 16.638 1.962 -2.842
10 HD3 ARG 1 1HD ARG 1 16.450 0.976 -4.296
11 HE ARG 1 HE ARG 1 14.451 3.017 -3.703
12 HH11 ARG 1 1HH1 ARG 1 17.131 1.934 -5.781
13 HH12 ARG 1 2HH1 ARG 1 16.838 3.086 -6.988
14 HH21 ARG 1 1HH2 ARG 1 14.071 4.618 -5.351
15 HH22 ARG 1 2HH2 ARG 1 15.036 4.651 -6.739
16 H TRP 2 HN TRP 2 10.404 -0.289 -4.008
17 HA TRP 2 HA TRP 2 10.400 2.396 -2.885
18 HB2 TRP 2 2HB TRP 2 8.810 1.183 -5.151
19 HB3 TRP 2 1HB TRP 2 8.561 2.804 -4.521
20 HD1 TRP 2 1HD TRP 2 10.301 4.660 -5.235
21 HE1 TRP 2 1HE TRP 2 12.107 4.758 -7.060
22 HE3 TRP 2 3HE TRP 2 10.566 -0.305 -6.402
23 HZ2 TRP 2 2HZ TRP 2 13.469 2.974 -8.753
24 HZ3 TRP 2 3HZ TRP 2 12.163 -1.025 -8.133
25 HH2 TRP 2 2HH TRP 2 13.576 0.590 -9.282
26 H CYS 3 HN CYS 3 8.243 3.162 -2.240
27 HA CYS 3 HA CYS 3 6.689 1.049 -0.964
28 HB2 CYS 3 2HB CYS 3 6.923 3.991 -0.269
29 HB3 CYS 3 1HB CYS 3 5.870 2.842 0.552
30 H PHE 4 HN PHE 4 4.498 1.098 -1.260
31 HA PHE 4 HA PHE 4 3.451 2.982 -3.206
32 HB2 PHE 4 2HB PHE 4 2.402 1.123 -4.474
33 HB3 PHE 4 1HB PHE 4 4.159 1.044 -4.519
34 HD1 PHE 4 1HD PHE 4 5.350 -0.685 -3.189
35 HD2 PHE 4 2HD PHE 4 1.110 -0.611 -3.516
36 HE1 PHE 4 1HE PHE 4 5.252 -3.013 -2.406
37 HE2 PHE 4 2HE PHE 4 0.990 -2.909 -2.730
38 HZ PHE 4 HZ PHE 4 3.079 -4.136 -2.171
39 H ARG 5 HN ARG 5 1.138 3.115 -3.079
40 HA ARG 5 HA ARG 5 0.223 2.220 -0.451
41 HB2 ARG 5 2HB ARG 5 0.446 4.718 -1.017
42 HB3 ARG 5 1HB ARG 5 -0.974 4.482 -2.025
43 HG2 ARG 5 2HG ARG 5 -2.252 3.782 -0.105
44 HG3 ARG 5 1HG ARG 5 -0.822 3.910 0.918
45 HD2 ARG 5 2HD ARG 5 -0.714 6.343 0.206
46 HD3 ARG 5 1HD ARG 5 -2.338 6.100 -0.454
47 HE ARG 5 HE ARG 5 -1.932 5.305 2.287
48 HH11 ARG 5 1HH1 ARG 5 -3.111 7.878 0.139
49 HH12 ARG 5 2HH1 ARG 5 -3.992 8.658 1.368
50 HH21 ARG 5 1HH2 ARG 5 -3.119 6.362 3.917
51 HH22 ARG 5 2HH2 ARG 5 -4.011 7.767 3.570
52 H VAL 6 HN VAL 6 -1.571 1.061 -0.281
53 HA VAL 6 HA VAL 6 -3.010 0.399 -2.750
54 HB VAL 6 HB VAL 6 -2.380 -1.402 -0.364
55 HG11 VAL 6 1HG1 VAL 6 -3.556 -3.179 -1.570
56 HG12 VAL 6 2HG1 VAL 6 -4.009 -2.027 -2.826
57 HG13 VAL 6 3HG1 VAL 6 -4.650 -1.845 -1.193
58 HG21 VAL 6 1HG2 VAL 6 -0.528 -1.150 -1.890
59 HG22 VAL 6 2HG2 VAL 6 -1.564 -1.569 -3.250
60 HG23 VAL 6 3HG2 VAL 6 -1.210 -2.772 -2.009
61 H CYS 7 HN CYS 7 -5.171 0.659 -2.687
62 HA CYS 7 HA CYS 7 -6.315 1.460 -0.120
63 HB2 CYS 7 2HB CYS 7 -7.058 2.355 -2.905
64 HB3 CYS 7 1HB CYS 7 -7.995 2.721 -1.460
65 H TYR 8 HN TYR 8 -7.876 0.351 0.680
66 HA TYR 8 HA TYR 8 -9.405 -1.452 -1.037
67 HB2 TYR 8 2HB TYR 8 -7.761 -2.743 0.270
68 HB3 TYR 8 1HB TYR 8 -8.355 -1.979 1.742
69 HD1 TYR 8 1HD TYR 8 -10.273 -2.837 2.871
70 HD2 TYR 8 2HD TYR 8 -9.264 -4.341 -0.976
71 HE1 TYR 8 1HE TYR 8 -11.901 -4.631 3.152
72 HE2 TYR 8 2HE TYR 8 -10.907 -6.138 -0.707
73 HH TYR 8 HH TYR 8 -12.029 -7.326 1.166
74 H ARG 9 HN ARG 9 -11.215 -0.253 -1.138
75 HA ARG 9 HA ARG 9 -13.232 0.603 -0.589
76 HB2 ARG 9 2HB ARG 9 -12.898 -0.942 1.988
77 HB3 ARG 9 1HB ARG 9 -14.413 -0.334 1.336
78 HG2 ARG 9 2HG ARG 9 -13.995 -1.805 -0.684
79 HG3 ARG 9 1HG ARG 9 -12.652 -2.479 0.211
80 HD2 ARG 9 2HD ARG 9 -14.131 -3.209 1.982
81 HD3 ARG 9 1HD ARG 9 -15.517 -2.513 1.135
82 HE ARG 9 HE ARG 9 -13.972 -4.400 -0.373
83 HH11 ARG 9 1HH1 ARG 9 -16.670 -4.095 1.894
84 HH12 ARG 9 2HH1 ARG 9 -17.485 -5.472 1.355
85 HH21 ARG 9 1HH2 ARG 9 -15.075 -6.328 -1.124
86 HH22 ARG 9 2HH2 ARG 9 -16.528 -6.801 -0.388
87 H GLY 10 HN GLY 10 -10.794 2.063 0.308
88 HA2 GLY 10 2HA GLY 10 -11.039 4.378 1.068
89 HA3 GLY 10 1HA GLY 10 -12.107 3.772 2.332
90 H ILE 11 HN ILE 11 -10.190 1.432 2.606
91 HA ILE 11 HA ILE 11 -8.454 2.724 4.508
92 HB ILE 11 HB ILE 11 -8.673 -0.234 3.776
93 HG12 ILE 11 2HG1 ILE 11 -9.675 -0.455 6.106
94 HG13 ILE 11 1HG1 ILE 11 -9.854 1.292 6.116
95 HG21 ILE 11 1HG2 ILE 11 -6.480 0.356 4.659
96 HG22 ILE 11 2HG2 ILE 11 -7.361 -0.704 5.759
97 HG23 ILE 11 3HG2 ILE 11 -7.239 1.021 6.105
98 HD11 ILE 11 1HD1 ILE 11 -11.929 0.157 5.573
99 HD12 ILE 11 2HD1 ILE 11 -11.145 -0.624 4.191
100 HD13 ILE 11 3HD1 ILE 11 -11.367 1.124 4.208
101 H CYS 12 HN CYS 12 -6.827 3.756 3.560
102 HA CYS 12 HA CYS 12 -5.396 2.352 1.434
103 HB2 CYS 12 2HB CYS 12 -5.410 5.302 2.108
104 HB3 CYS 12 1HB CYS 12 -4.431 4.554 0.852
105 H TYR 13 HN TYR 13 -3.591 1.446 1.984
106 HA TYR 13 HA TYR 13 -2.086 2.578 4.210
107 HB2 TYR 13 2HB TYR 13 -1.413 0.198 4.779
108 HB3 TYR 13 1HB TYR 13 -3.090 0.614 5.106
109 HD1 TYR 13 1HD TYR 13 -4.884 -0.428 3.867
110 HD2 TYR 13 2HD TYR 13 -0.844 -1.331 2.959
111 HE1 TYR 13 1HE TYR 13 -5.631 -2.342 2.535
112 HE2 TYR 13 2HE TYR 13 -1.558 -3.241 1.637
113 HH TYR 13 HH TYR 13 -3.394 -4.677 1.310
114 H ARG 14 HN ARG 14 0.152 2.362 4.118
115 HA ARG 14 HA ARG 14 1.192 2.241 1.393
116 HB2 ARG 14 2HB ARG 14 1.649 4.263 2.736
117 HB3 ARG 14 1HB ARG 14 2.455 3.275 3.943
118 HG2 ARG 14 2HG ARG 14 4.087 2.594 2.161
119 HG3 ARG 14 1HG ARG 14 3.343 3.796 1.111
120 HD2 ARG 14 2HD ARG 14 5.326 4.726 2.144
121 HD3 ARG 14 1HD ARG 14 3.897 5.544 2.781
122 HE ARG 14 HE ARG 14 4.220 3.710 4.632
123 HH11 ARG 14 1HH1 ARG 14 6.770 5.663 3.108
124 HH12 ARG 14 2HH1 ARG 14 7.768 5.656 4.472
125 HH21 ARG 14 1HH2 ARG 14 5.594 3.671 6.455
126 HH22 ARG 14 2HH2 ARG 14 7.104 4.466 6.448
127 H LYS 15 HN LYS 15 2.240 0.494 0.752
128 HA LYS 15 HA LYS 15 3.385 -1.302 2.768
129 HB2 LYS 15 2HB LYS 15 2.785 -1.868 -0.148
130 HB3 LYS 15 1HB LYS 15 3.360 -3.020 1.042
131 HG2 LYS 15 2HG LYS 15 1.230 -2.774 2.263
132 HG3 LYS 15 1HG LYS 15 0.665 -1.678 1.003
133 HD2 LYS 15 2HD LYS 15 -0.236 -3.851 0.457
134 HD3 LYS 15 1HD LYS 15 1.084 -3.530 -0.649
135 HE2 LYS 15 2HE LYS 15 2.575 -4.926 0.650
136 HE3 LYS 15 1HE LYS 15 1.318 -5.178 1.856
137 HZ1 LYS 15 1HZ LYS 15 1.462 -7.061 0.364
138 HZ2 LYS 15 2HZ LYS 15 1.238 -6.085 -0.968
139 HZ3 LYS 15 3HZ LYS 15 -0.017 -6.287 0.144
140 H CYS 16 HN CYS 16 5.599 -1.866 2.459
141 HA CYS 16 HA CYS 16 6.949 -0.395 0.333
142 HB2 CYS 16 2HB CYS 16 7.884 -0.818 3.177
143 HB3 CYS 16 1HB CYS 16 8.891 -0.174 1.886
144 H ARG 17 HN ARG 17 8.239 -1.570 -0.933
145 HA ARG 17 HA ARG 17 8.818 -4.275 -0.006
146 HB2 ARG 17 2HB ARG 17 6.960 -4.222 -1.687
147 HB3 ARG 17 1HB ARG 17 8.084 -3.526 -2.847
148 HG2 ARG 17 2HG ARG 17 7.851 -5.894 -3.249
149 HG3 ARG 17 1HG ARG 17 9.481 -5.553 -2.663
150 HD2 ARG 17 2HD ARG 17 8.801 -6.234 -0.396
151 HD3 ARG 17 1HD ARG 17 7.184 -6.590 -0.998
152 HE ARG 17 HE ARG 17 8.906 -8.030 -2.542
153 HH11 ARG 17 1HH1 ARG 17 8.134 -7.886 0.932
154 HH12 ARG 17 2HH1 ARG 17 8.534 -9.514 1.220
155 HH21 ARG 17 1HH2 ARG 17 9.423 -10.302 -2.100
156 HH22 ARG 17 2HH2 ARG 17 9.277 -10.893 -0.508
157 HN1 NH2 18 1H ARG 17 10.920 -4.273 0.319
158 HN2 NH2 18 2H ARG 17 12.121 -3.565 -0.696
Start of MODEL 4
1 H1 ARG 1 1HT ARG 1 14.329 2.015 -1.509
2 H2 ARG 1 2HT ARG 1 12.756 2.263 -0.932
3 H3 ARG 1 3HT ARG 1 13.215 2.928 -2.402
4 HA ARG 1 HA ARG 1 13.441 0.820 -3.392
5 HB2 ARG 1 2HB ARG 1 12.483 -0.238 -0.703
6 HB3 ARG 1 1HB ARG 1 12.576 -1.184 -2.174
7 HG2 ARG 1 2HG ARG 1 14.956 -0.881 -2.295
8 HG3 ARG 1 1HG ARG 1 14.912 0.181 -0.896
9 HD2 ARG 1 2HD ARG 1 14.273 -1.595 0.534
10 HD3 ARG 1 1HD ARG 1 14.028 -2.694 -0.828
11 HE ARG 1 HE ARG 1 16.489 -2.233 -1.246
12 HH11 ARG 1 1HH1 ARG 1 15.080 -2.510 1.990
13 HH12 ARG 1 2HH1 ARG 1 16.534 -2.988 2.726
14 HH21 ARG 1 1HH2 ARG 1 18.449 -2.860 -0.263
15 HH22 ARG 1 2HH2 ARG 1 18.518 -3.174 1.422
16 H TRP 2 HN TRP 2 11.130 -0.817 -3.329
17 HA TRP 2 HA TRP 2 9.349 1.190 -4.376
18 HB2 TRP 2 2HB TRP 2 9.927 -0.866 -5.659
19 HB3 TRP 2 1HB TRP 2 9.070 -1.814 -4.450
20 HD1 TRP 2 1HD TRP 2 6.502 -1.959 -4.669
21 HE1 TRP 2 1HE TRP 2 4.759 -1.043 -6.380
22 HE3 TRP 2 3HE TRP 2 9.513 1.241 -7.231
23 HZ2 TRP 2 2HZ TRP 2 4.717 0.788 -8.518
24 HZ3 TRP 2 3HZ TRP 2 8.560 2.538 -9.092
25 HH2 TRP 2 2HH TRP 2 6.219 2.312 -9.718
26 H CYS 3 HN CYS 3 8.070 2.165 -3.058
27 HA CYS 3 HA CYS 3 6.430 0.591 -1.219
28 HB2 CYS 3 2HB CYS 3 7.357 3.468 -0.991
29 HB3 CYS 3 1HB CYS 3 6.135 2.741 0.038
30 H PHE 4 HN PHE 4 4.298 0.831 -1.417
31 HA PHE 4 HA PHE 4 3.328 2.735 -3.389
32 HB2 PHE 4 2HB PHE 4 1.967 0.875 -4.411
33 HB3 PHE 4 1HB PHE 4 3.711 0.776 -4.655
34 HD1 PHE 4 1HD PHE 4 0.826 -0.751 -3.042
35 HD2 PHE 4 2HD PHE 4 5.012 -0.958 -3.636
36 HE1 PHE 4 1HE PHE 4 0.826 -3.053 -2.190
37 HE2 PHE 4 2HE PHE 4 5.035 -3.265 -2.792
38 HZ PHE 4 HZ PHE 4 2.942 -4.322 -2.071
39 H ARG 5 HN ARG 5 0.947 2.960 -3.302
40 HA ARG 5 HA ARG 5 0.039 2.612 -0.525
41 HB2 ARG 5 2HB ARG 5 0.394 4.959 -1.343
42 HB3 ARG 5 1HB ARG 5 -0.844 4.662 -2.554
43 HG2 ARG 5 2HG ARG 5 -2.477 4.292 -0.767
44 HG3 ARG 5 1HG ARG 5 -1.234 4.719 0.416
45 HD2 ARG 5 2HD ARG 5 -0.964 6.908 -0.671
46 HD3 ARG 5 1HD ARG 5 -2.216 6.474 -1.829
47 HE ARG 5 HE ARG 5 -2.736 6.598 1.040
48 HH11 ARG 5 1HH1 ARG 5 -3.487 7.695 -2.250
49 HH12 ARG 5 2HH1 ARG 5 -4.895 8.535 -1.822
50 HH21 ARG 5 1HH2 ARG 5 -4.720 7.758 1.637
51 HH22 ARG 5 2HH2 ARG 5 -5.634 8.536 0.431
52 H VAL 6 HN VAL 6 -1.385 1.062 -0.382
53 HA VAL 6 HA VAL 6 -3.073 0.405 -2.690
54 HB VAL 6 HB VAL 6 -2.543 -1.203 -0.161
55 HG11 VAL 6 1HG1 VAL 6 -4.796 -1.618 -1.032
56 HG12 VAL 6 2HG1 VAL 6 -3.752 -3.021 -1.262
57 HG13 VAL 6 3HG1 VAL 6 -4.117 -1.962 -2.625
58 HG21 VAL 6 1HG2 VAL 6 -1.631 -1.626 -2.995
59 HG22 VAL 6 2HG2 VAL 6 -1.390 -2.751 -1.657
60 HG23 VAL 6 3HG2 VAL 6 -0.630 -1.157 -1.616
61 H CYS 7 HN CYS 7 -5.092 1.057 -2.660
62 HA CYS 7 HA CYS 7 -6.282 1.712 -0.074
63 HB2 CYS 7 2HB CYS 7 -6.921 2.752 -2.841
64 HB3 CYS 7 1HB CYS 7 -7.866 3.109 -1.399
65 H TYR 8 HN TYR 8 -7.876 0.571 0.586
66 HA TYR 8 HA TYR 8 -9.355 -1.120 -1.289
67 HB2 TYR 8 2HB TYR 8 -7.577 -2.469 -0.206
68 HB3 TYR 8 1HB TYR 8 -8.193 -1.949 1.363
69 HD1 TYR 8 1HD TYR 8 -8.887 -4.069 -1.587
70 HD2 TYR 8 2HD TYR 8 -10.144 -2.971 2.326
71 HE1 TYR 8 1HE TYR 8 -10.408 -5.993 -1.536
72 HE2 TYR 8 2HE TYR 8 -11.657 -4.880 2.387
73 HH TYR 8 HH TYR 8 -11.539 -7.431 0.225
74 H ARG 9 HN ARG 9 -11.205 0.012 -1.126
75 HA ARG 9 HA ARG 9 -13.261 0.597 -0.337
76 HB2 ARG 9 2HB ARG 9 -12.565 -1.219 1.979
77 HB3 ARG 9 1HB ARG 9 -14.170 -0.609 1.612
78 HG2 ARG 9 2HG ARG 9 -12.529 -2.452 -0.115
79 HG3 ARG 9 1HG ARG 9 -13.912 -2.914 0.870
80 HD2 ARG 9 2HD ARG 9 -15.334 -1.412 -0.484
81 HD3 ARG 9 1HD ARG 9 -13.924 -1.022 -1.470
82 HE ARG 9 HE ARG 9 -14.568 -3.811 -1.248
83 HH11 ARG 9 1HH1 ARG 9 -14.865 -0.868 -3.229
84 HH12 ARG 9 2HH1 ARG 9 -15.334 -1.724 -4.634
85 HH21 ARG 9 1HH2 ARG 9 -15.177 -4.938 -3.208
86 HH22 ARG 9 2HH2 ARG 9 -15.506 -4.062 -4.619
87 H GLY 10 HN GLY 10 -10.858 2.113 0.463
88 HA2 GLY 10 2HA GLY 10 -11.226 4.323 1.399
89 HA3 GLY 10 1HA GLY 10 -12.104 3.542 2.710
90 H ILE 11 HN ILE 11 -10.036 1.361 2.669
91 HA ILE 11 HA ILE 11 -8.286 2.653 4.561
92 HB ILE 11 HB ILE 11 -8.405 -0.257 3.696
93 HG12 ILE 11 2HG1 ILE 11 -9.312 -0.605 6.080
94 HG13 ILE 11 1HG1 ILE 11 -9.634 1.122 6.097
95 HG21 ILE 11 1HG2 ILE 11 -6.902 0.980 5.987
96 HG22 ILE 11 2HG2 ILE 11 -6.217 0.317 4.510
97 HG23 ILE 11 3HG2 ILE 11 -7.027 -0.751 5.658
98 HD11 ILE 11 1HD1 ILE 11 -10.787 -0.883 4.172
99 HD12 ILE 11 2HD1 ILE 11 -11.167 0.840 4.218
100 HD13 ILE 11 3HD1 ILE 11 -11.622 -0.201 5.572
101 H CYS 12 HN CYS 12 -6.621 3.738 3.642
102 HA CYS 12 HA CYS 12 -5.219 2.378 1.464
103 HB2 CYS 12 2HB CYS 12 -5.049 5.295 2.272
104 HB3 CYS 12 1HB CYS 12 -4.179 4.539 0.936
105 H TYR 13 HN TYR 13 -3.296 1.578 1.838
106 HA TYR 13 HA TYR 13 -1.813 2.598 4.113
107 HB2 TYR 13 2HB TYR 13 -1.073 0.265 4.659
108 HB3 TYR 13 1HB TYR 13 -2.765 0.593 4.977
109 HD1 TYR 13 1HD TYR 13 -0.400 -1.262 2.867
110 HD2 TYR 13 2HD TYR 13 -4.497 -0.551 3.734
111 HE1 TYR 13 1HE TYR 13 -1.006 -3.280 1.621
112 HE2 TYR 13 2HE TYR 13 -5.122 -2.558 2.486
113 HH TYR 13 HH TYR 13 -4.202 -4.011 0.725
114 H ARG 14 HN ARG 14 0.373 2.545 3.966
115 HA ARG 14 HA ARG 14 1.364 2.398 1.233
116 HB2 ARG 14 2HB ARG 14 1.768 4.437 2.648
117 HB3 ARG 14 1HB ARG 14 2.736 3.444 3.724
118 HG2 ARG 14 2HG ARG 14 4.260 2.953 1.846
119 HG3 ARG 14 1HG ARG 14 3.304 4.030 0.828
120 HD2 ARG 14 2HD ARG 14 3.774 5.866 2.449
121 HD3 ARG 14 1HD ARG 14 4.859 4.767 3.305
122 HE ARG 14 HE ARG 14 5.282 5.254 0.470
123 HH11 ARG 14 1HH1 ARG 14 6.431 5.791 3.788
124 HH12 ARG 14 2HH1 ARG 14 7.953 6.372 3.314
125 HH21 ARG 14 1HH2 ARG 14 7.374 6.072 -0.169
126 HH22 ARG 14 2HH2 ARG 14 8.509 6.521 0.993
127 H LYS 15 HN LYS 15 2.130 0.505 0.694
128 HA LYS 15 HA LYS 15 3.323 -1.208 2.761
129 HB2 LYS 15 2HB LYS 15 1.264 -2.035 1.575
130 HB3 LYS 15 1HB LYS 15 2.165 -1.973 0.071
131 HG2 LYS 15 2HG LYS 15 3.738 -3.627 0.963
132 HG3 LYS 15 1HG LYS 15 2.787 -3.696 2.450
133 HD2 LYS 15 2HD LYS 15 0.854 -4.471 1.199
134 HD3 LYS 15 1HD LYS 15 1.766 -4.374 -0.307
135 HE2 LYS 15 2HE LYS 15 3.374 -5.999 0.621
136 HE3 LYS 15 1HE LYS 15 2.349 -6.159 2.046
137 HZ1 LYS 15 1HZ LYS 15 1.927 -7.930 0.479
138 HZ2 LYS 15 2HZ LYS 15 1.608 -6.834 -0.739
139 HZ3 LYS 15 3HZ LYS 15 0.566 -6.946 0.581
140 H CYS 16 HN CYS 16 5.386 -2.035 2.373
141 HA CYS 16 HA CYS 16 6.715 -0.977 -0.014
142 HB2 CYS 16 2HB CYS 16 7.814 -1.156 2.790
143 HB3 CYS 16 1HB CYS 16 8.746 -0.712 1.369
144 H ARG 17 HN ARG 17 8.280 -2.229 -0.942
145 HA ARG 17 HA ARG 17 8.696 -4.866 0.203
146 HB2 ARG 17 2HB ARG 17 8.718 -5.866 -2.072
147 HB3 ARG 17 1HB ARG 17 7.152 -5.203 -1.654
148 HG2 ARG 17 2HG ARG 17 7.550 -3.277 -3.073
149 HG3 ARG 17 1HG ARG 17 9.186 -3.843 -3.414
150 HD2 ARG 17 2HD ARG 17 6.620 -5.256 -4.157
151 HD3 ARG 17 1HD ARG 17 7.684 -4.374 -5.253
152 HE ARG 17 HE ARG 17 9.195 -6.315 -3.947
153 HH11 ARG 17 1HH1 ARG 17 6.729 -6.121 -6.487
154 HH12 ARG 17 2HH1 ARG 17 7.042 -7.661 -7.123
155 HH21 ARG 17 1HH2 ARG 17 9.643 -8.417 -4.840
156 HH22 ARG 17 2HH2 ARG 17 8.755 -8.992 -6.174
157 HN1 NH2 18 1H ARG 17 10.687 -4.939 0.805
158 HN2 NH2 18 2H ARG 17 12.044 -4.218 0.012
Start of MODEL 5
1 H1 ARG 1 1HT ARG 1 11.695 -1.085 -0.629
2 H2 ARG 1 2HT ARG 1 13.284 -1.364 -1.139
3 H3 ARG 1 3HT ARG 1 12.104 -1.036 -2.261
4 HA ARG 1 HA ARG 1 12.984 0.811 -0.127
5 HB2 ARG 1 2HB ARG 1 14.772 0.541 -1.765
6 HB3 ARG 1 1HB ARG 1 13.643 0.797 -3.083
7 HG2 ARG 1 2HG ARG 1 15.000 2.781 -2.727
8 HG3 ARG 1 1HG ARG 1 13.309 3.111 -2.364
9 HD2 ARG 1 2HD ARG 1 13.787 2.847 0.033
10 HD3 ARG 1 1HD ARG 1 15.487 2.556 -0.340
11 HE ARG 1 HE ARG 1 14.603 4.982 -1.466
12 HH11 ARG 1 1HH1 ARG 1 15.528 3.596 1.660
13 HH12 ARG 1 2HH1 ARG 1 16.024 5.064 2.342
14 HH21 ARG 1 1HH2 ARG 1 15.263 7.028 -0.496
15 HH22 ARG 1 2HH2 ARG 1 15.831 7.077 1.099
16 H TRP 2 HN TRP 2 11.164 0.446 -3.176
17 HA TRP 2 HA TRP 2 9.876 2.963 -2.699
18 HB2 TRP 2 2HB TRP 2 9.476 0.955 -4.922
19 HB3 TRP 2 1HB TRP 2 8.884 2.613 -4.889
20 HD1 TRP 2 1HD TRP 2 12.031 0.571 -5.446
21 HE1 TRP 2 1HE TRP 2 13.858 2.058 -6.450
22 HE3 TRP 2 3HE TRP 2 9.696 5.091 -4.995
23 HZ2 TRP 2 2HZ TRP 2 14.260 4.806 -6.985
24 HZ3 TRP 2 3HZ TRP 2 10.877 7.104 -5.782
25 HH2 TRP 2 2HH TRP 2 13.110 6.959 -6.752
26 H CYS 3 HN CYS 3 7.624 3.156 -2.441
27 HA CYS 3 HA CYS 3 6.247 0.685 -1.672
28 HB2 CYS 3 2HB CYS 3 6.048 3.355 -0.281
29 HB3 CYS 3 1HB CYS 3 5.225 1.868 0.166
30 H PHE 4 HN PHE 4 4.183 0.564 -2.228
31 HA PHE 4 HA PHE 4 3.133 2.822 -3.717
32 HB2 PHE 4 2HB PHE 4 1.922 1.140 -5.147
33 HB3 PHE 4 1HB PHE 4 3.682 1.064 -5.234
34 HD1 PHE 4 1HD PHE 4 4.904 -0.856 -4.467
35 HD2 PHE 4 2HD PHE 4 0.677 -0.667 -4.107
36 HE1 PHE 4 1HE PHE 4 4.843 -3.271 -4.013
37 HE2 PHE 4 2HE PHE 4 0.598 -3.067 -3.642
38 HZ PHE 4 HZ PHE 4 2.689 -4.386 -3.596
39 H ARG 5 HN ARG 5 1.012 3.379 -3.324
40 HA ARG 5 HA ARG 5 0.075 2.339 -0.773
41 HB2 ARG 5 2HB ARG 5 0.579 4.785 -1.090
42 HB3 ARG 5 1HB ARG 5 -0.764 4.841 -2.216
43 HG2 ARG 5 2HG ARG 5 -2.300 4.236 -0.428
44 HG3 ARG 5 1HG ARG 5 -0.951 4.155 0.709
45 HD2 ARG 5 2HD ARG 5 -0.433 6.523 0.201
46 HD3 ARG 5 1HD ARG 5 -1.858 6.577 -0.830
47 HE ARG 5 HE ARG 5 -2.263 5.830 1.962
48 HH11 ARG 5 1HH1 ARG 5 -2.473 8.346 -0.533
49 HH12 ARG 5 2HH1 ARG 5 -3.435 9.380 0.403
50 HH21 ARG 5 1HH2 ARG 5 -3.641 7.267 3.234
51 HH22 ARG 5 2HH2 ARG 5 -4.113 8.754 2.550
52 H VAL 6 HN VAL 6 -1.505 1.026 -0.757
53 HA VAL 6 HA VAL 6 -3.264 0.762 -3.085
54 HB VAL 6 HB VAL 6 -2.379 -1.282 -1.004
55 HG11 VAL 6 1HG1 VAL 6 -4.397 -1.691 -3.217
56 HG12 VAL 6 2HG1 VAL 6 -4.785 -1.615 -1.499
57 HG13 VAL 6 3HG1 VAL 6 -3.784 -2.928 -2.119
58 HG21 VAL 6 1HG2 VAL 6 -0.814 -0.890 -2.761
59 HG22 VAL 6 2HG2 VAL 6 -2.067 -1.119 -3.983
60 HG23 VAL 6 3HG2 VAL 6 -1.558 -2.475 -2.975
61 H CYS 7 HN CYS 7 -5.463 0.774 -2.770
62 HA CYS 7 HA CYS 7 -6.313 1.666 -0.124
63 HB2 CYS 7 2HB CYS 7 -7.531 2.186 -2.842
64 HB3 CYS 7 1HB CYS 7 -8.178 2.735 -1.298
65 H TYR 8 HN TYR 8 -7.647 0.496 0.939
66 HA TYR 8 HA TYR 8 -9.191 -1.607 -0.401
67 HB2 TYR 8 2HB TYR 8 -7.215 -2.585 0.744
68 HB3 TYR 8 1HB TYR 8 -7.721 -1.757 2.222
69 HD1 TYR 8 1HD TYR 8 -8.779 -4.365 -0.203
70 HD2 TYR 8 2HD TYR 8 -9.215 -2.767 3.707
71 HE1 TYR 8 1HE TYR 8 -10.126 -6.302 0.434
72 HE2 TYR 8 2HE TYR 8 -10.569 -4.698 4.358
73 HH TYR 8 HH TYR 8 -11.978 -6.405 3.262
74 H ARG 9 HN ARG 9 -11.181 -0.745 -0.220
75 HA ARG 9 HA ARG 9 -13.163 -0.085 0.696
76 HB2 ARG 9 2HB ARG 9 -11.896 -1.202 3.204
77 HB3 ARG 9 1HB ARG 9 -13.556 -0.645 3.120
78 HG2 ARG 9 2HG ARG 9 -12.386 -2.907 1.515
79 HG3 ARG 9 1HG ARG 9 -13.387 -3.074 2.958
80 HD2 ARG 9 2HD ARG 9 -15.182 -1.822 1.771
81 HD3 ARG 9 1HD ARG 9 -14.189 -1.877 0.313
82 HE ARG 9 HE ARG 9 -14.872 -4.371 1.639
83 HH11 ARG 9 1HH1 ARG 9 -15.298 -2.227 -1.140
84 HH12 ARG 9 2HH1 ARG 9 -16.234 -3.343 -2.020
85 HH21 ARG 9 1HH2 ARG 9 -16.168 -5.913 0.407
86 HH22 ARG 9 2HH2 ARG 9 -16.748 -5.463 -1.123
87 H GLY 10 HN GLY 10 -10.839 1.779 0.671
88 HA2 GLY 10 2HA GLY 10 -11.211 4.132 1.113
89 HA3 GLY 10 1HA GLY 10 -11.889 3.661 2.664
90 H ILE 11 HN ILE 11 -9.747 1.637 3.046
91 HA ILE 11 HA ILE 11 -7.926 3.445 4.336
92 HB ILE 11 HB ILE 11 -7.822 0.399 4.245
93 HG12 ILE 11 2HG1 ILE 11 -8.546 0.616 6.714
94 HG13 ILE 11 1HG1 ILE 11 -9.061 2.243 6.299
95 HG21 ILE 11 1HG2 ILE 11 -6.285 0.522 6.115
96 HG22 ILE 11 2HG2 ILE 11 -6.389 2.280 6.098
97 HG23 ILE 11 3HG2 ILE 11 -5.664 1.436 4.735
98 HD11 ILE 11 1HD1 ILE 11 -10.081 -0.305 5.067
99 HD12 ILE 11 2HD1 ILE 11 -10.650 1.322 4.695
100 HD13 ILE 11 3HD1 ILE 11 -10.907 0.642 6.305
101 H CYS 12 HN CYS 12 -6.377 4.323 3.117
102 HA CYS 12 HA CYS 12 -5.153 2.650 1.051
103 HB2 CYS 12 2HB CYS 12 -4.986 5.656 1.360
104 HB3 CYS 12 1HB CYS 12 -4.303 4.666 0.068
105 H TYR 13 HN TYR 13 -3.434 1.702 1.653
106 HA TYR 13 HA TYR 13 -1.685 2.973 3.647
107 HB2 TYR 13 2HB TYR 13 -1.253 0.665 4.526
108 HB3 TYR 13 1HB TYR 13 -2.899 1.235 4.778
109 HD1 TYR 13 1HD TYR 13 -4.767 0.219 3.557
110 HD2 TYR 13 2HD TYR 13 -0.792 -1.203 2.979
111 HE1 TYR 13 1HE TYR 13 -5.646 -1.769 2.483
112 HE2 TYR 13 2HE TYR 13 -1.660 -3.183 1.921
113 HH TYR 13 HH TYR 13 -4.860 -3.505 0.859
114 H ARG 14 HN ARG 14 0.523 2.318 3.561
115 HA ARG 14 HA ARG 14 1.460 1.955 0.862
116 HB2 ARG 14 2HB ARG 14 2.820 2.497 3.477
117 HB3 ARG 14 1HB ARG 14 3.723 2.117 2.024
118 HG2 ARG 14 2HG ARG 14 2.939 4.089 0.941
119 HG3 ARG 14 1HG ARG 14 1.796 4.413 2.247
120 HD2 ARG 14 2HD ARG 14 3.876 5.799 2.339
121 HD3 ARG 14 1HD ARG 14 3.571 4.850 3.790
122 HE ARG 14 HE ARG 14 5.238 3.336 2.161
123 HH11 ARG 14 1HH1 ARG 14 5.416 6.356 3.969
124 HH12 ARG 14 2HH1 ARG 14 7.104 6.280 4.204
125 HH21 ARG 14 1HH2 ARG 14 7.550 3.222 2.493
126 HH22 ARG 14 2HH2 ARG 14 8.336 4.455 3.344
127 H LYS 15 HN LYS 15 2.182 0.168 0.016
128 HA LYS 15 HA LYS 15 2.929 -2.054 1.764
129 HB2 LYS 15 2HB LYS 15 2.082 -2.000 -1.142
130 HB3 LYS 15 1HB LYS 15 2.737 -3.419 -0.343
131 HG2 LYS 15 2HG LYS 15 0.836 -3.441 1.191
132 HG3 LYS 15 1HG LYS 15 0.183 -2.004 0.398
133 HD2 LYS 15 2HD LYS 15 -0.047 -3.171 -1.659
134 HD3 LYS 15 1HD LYS 15 0.753 -4.606 -1.007
135 HE2 LYS 15 2HE LYS 15 -1.882 -3.454 -0.086
136 HE3 LYS 15 1HE LYS 15 -1.694 -4.842 -1.140
137 HZ1 LYS 15 1HZ LYS 15 -0.564 -6.013 0.598
138 HZ2 LYS 15 2HZ LYS 15 -2.075 -5.542 1.143
139 HZ3 LYS 15 3HZ LYS 15 -0.684 -4.737 1.670
140 H CYS 16 HN CYS 16 5.024 -2.353 1.932
141 HA CYS 16 HA CYS 16 6.745 -1.059 -0.050
142 HB2 CYS 16 2HB CYS 16 7.206 -1.501 2.899
143 HB3 CYS 16 1HB CYS 16 8.377 -0.817 1.774
144 H ARG 17 HN ARG 17 8.352 -2.201 -0.940
145 HA ARG 17 HA ARG 17 8.856 -4.859 0.134
146 HB2 ARG 17 2HB ARG 17 8.745 -4.080 -2.788
147 HB3 ARG 17 1HB ARG 17 9.334 -5.628 -2.198
148 HG2 ARG 17 2HG ARG 17 7.064 -5.972 -1.153
149 HG3 ARG 17 1HG ARG 17 6.540 -4.535 -2.020
150 HD2 ARG 17 2HD ARG 17 7.097 -5.573 -4.139
151 HD3 ARG 17 1HD ARG 17 7.699 -7.002 -3.298
152 HE ARG 17 HE ARG 17 4.978 -6.300 -2.695
153 HH11 ARG 17 1HH1 ARG 17 7.099 -8.308 -4.696
154 HH12 ARG 17 2HH1 ARG 17 5.870 -9.339 -5.243
155 HH21 ARG 17 1HH2 ARG 17 3.285 -7.730 -3.408
156 HH22 ARG 17 2HH2 ARG 17 3.603 -8.985 -4.488
157 HN1 NH2 18 1H ARG 17 10.629 -4.475 1.187
158 HN2 NH2 18 2H ARG 17 12.055 -3.720 0.564
Start of MODEL 6
1 H1 ARG 1 1HT ARG 1 14.025 2.103 -0.543
2 H2 ARG 1 2HT ARG 1 14.289 3.220 -1.783
3 H3 ARG 1 3HT ARG 1 15.198 1.813 -1.737
4 HA ARG 1 HA ARG 1 13.450 1.707 -3.400
5 HB2 ARG 1 2HB ARG 1 14.078 -0.379 -2.144
6 HB3 ARG 1 1HB ARG 1 12.809 -0.023 -0.984
7 HG2 ARG 1 2HG ARG 1 11.143 -0.234 -2.782
8 HG3 ARG 1 1HG ARG 1 12.438 -0.638 -3.906
9 HD2 ARG 1 2HD ARG 1 11.683 -2.202 -1.438
10 HD3 ARG 1 1HD ARG 1 11.286 -2.638 -3.095
11 HE ARG 1 HE ARG 1 14.102 -2.356 -2.345
12 HH11 ARG 1 1HH1 ARG 1 11.445 -4.497 -3.321
13 HH12 ARG 1 2HH1 ARG 1 12.424 -5.866 -3.493
14 HH21 ARG 1 1HH2 ARG 1 15.458 -4.225 -2.616
15 HH22 ARG 1 2HH2 ARG 1 14.792 -5.710 -3.088
16 H TRP 2 HN TRP 2 11.436 2.384 -3.972
17 HA TRP 2 HA TRP 2 9.910 3.714 -1.931
18 HB2 TRP 2 2HB TRP 2 9.582 3.675 -4.931
19 HB3 TRP 2 1HB TRP 2 8.500 4.535 -3.832
20 HD1 TRP 2 1HD TRP 2 11.688 4.880 -5.635
21 HE1 TRP 2 1HE TRP 2 12.871 7.108 -4.975
22 HE3 TRP 2 3HE TRP 2 8.828 6.126 -1.627
23 HZ2 TRP 2 2HZ TRP 2 12.595 9.081 -2.993
24 HZ3 TRP 2 3HZ TRP 2 9.340 8.190 -0.390
25 HH2 TRP 2 2HH TRP 2 11.184 9.631 -1.062
26 H CYS 3 HN CYS 3 7.443 3.434 -2.154
27 HA CYS 3 HA CYS 3 6.888 0.573 -2.455
28 HB2 CYS 3 2HB CYS 3 5.888 2.397 -0.273
29 HB3 CYS 3 1HB CYS 3 5.580 0.672 -0.431
30 H PHE 4 HN PHE 4 4.399 0.316 -2.297
31 HA PHE 4 HA PHE 4 3.190 2.433 -3.878
32 HB2 PHE 4 2HB PHE 4 1.803 0.655 -4.944
33 HB3 PHE 4 1HB PHE 4 3.528 0.462 -5.248
34 HD1 PHE 4 1HD PHE 4 0.642 -0.873 -3.420
35 HD2 PHE 4 2HD PHE 4 4.705 -1.467 -4.511
36 HE1 PHE 4 1HE PHE 4 0.489 -3.166 -2.652
37 HE2 PHE 4 2HE PHE 4 4.576 -3.793 -3.743
38 HZ PHE 4 HZ PHE 4 2.469 -4.665 -2.811
39 H ARG 5 HN ARG 5 0.809 2.531 -3.520
40 HA ARG 5 HA ARG 5 0.294 1.782 -0.753
41 HB2 ARG 5 2HB ARG 5 0.709 4.242 -1.196
42 HB3 ARG 5 1HB ARG 5 -0.799 4.249 -2.100
43 HG2 ARG 5 2HG ARG 5 -2.050 3.736 -0.168
44 HG3 ARG 5 1HG ARG 5 -0.597 3.372 0.757
45 HD2 ARG 5 2HD ARG 5 0.091 5.767 0.403
46 HD3 ARG 5 1HD ARG 5 -1.530 6.052 -0.237
47 HE ARG 5 HE ARG 5 -1.984 4.851 2.155
48 HH11 ARG 5 1HH1 ARG 5 -0.278 7.800 1.211
49 HH12 ARG 5 2HH1 ARG 5 -0.425 8.510 2.754
50 HH21 ARG 5 1HH2 ARG 5 -2.165 5.793 4.203
51 HH22 ARG 5 2HH2 ARG 5 -1.529 7.354 4.478
52 H VAL 6 HN VAL 6 -1.445 0.650 -0.396
53 HA VAL 6 HA VAL 6 -3.124 -0.013 -2.707
54 HB VAL 6 HB VAL 6 -2.696 -1.525 -0.107
55 HG11 VAL 6 1HG1 VAL 6 -4.180 -2.360 -2.597
56 HG12 VAL 6 2HG1 VAL 6 -4.914 -1.907 -1.060
57 HG13 VAL 6 3HG1 VAL 6 -3.904 -3.348 -1.158
58 HG21 VAL 6 1HG2 VAL 6 -0.722 -1.590 -1.453
59 HG22 VAL 6 2HG2 VAL 6 -1.665 -2.058 -2.866
60 HG23 VAL 6 3HG2 VAL 6 -1.524 -3.162 -1.496
61 H CYS 7 HN CYS 7 -5.248 0.453 -2.642
62 HA CYS 7 HA CYS 7 -6.258 1.504 -0.120
63 HB2 CYS 7 2HB CYS 7 -7.180 2.071 -2.944
64 HB3 CYS 7 1HB CYS 7 -7.947 2.689 -1.484
65 H TYR 8 HN TYR 8 -7.769 0.529 0.862
66 HA TYR 8 HA TYR 8 -9.404 -1.496 -0.470
67 HB2 TYR 8 2HB TYR 8 -7.560 -2.586 0.817
68 HB3 TYR 8 1HB TYR 8 -8.085 -1.680 2.235
69 HD1 TYR 8 1HD TYR 8 -9.195 -4.293 -0.164
70 HD2 TYR 8 2HD TYR 8 -9.743 -2.513 3.659
71 HE1 TYR 8 1HE TYR 8 -10.721 -6.102 0.457
72 HE2 TYR 8 2HE TYR 8 -11.268 -4.307 4.288
73 HH TYR 8 HH TYR 8 -11.587 -7.172 2.491
74 H ARG 9 HN ARG 9 -11.300 -0.378 -0.420
75 HA ARG 9 HA ARG 9 -13.271 0.424 0.390
76 HB2 ARG 9 2HB ARG 9 -12.233 -0.729 2.975
77 HB3 ARG 9 1HB ARG 9 -13.852 -0.075 2.775
78 HG2 ARG 9 2HG ARG 9 -12.710 -2.388 1.222
79 HG3 ARG 9 1HG ARG 9 -13.785 -2.527 2.611
80 HD2 ARG 9 2HD ARG 9 -14.421 -1.212 -0.032
81 HD3 ARG 9 1HD ARG 9 -15.047 -2.749 0.555
82 HE ARG 9 HE ARG 9 -15.727 -0.960 2.478
83 HH11 ARG 9 1HH1 ARG 9 -16.393 -1.274 -0.984
84 HH12 ARG 9 2HH1 ARG 9 -17.845 -0.392 -0.928
85 HH21 ARG 9 1HH2 ARG 9 -17.749 0.222 2.568
86 HH22 ARG 9 2HH2 ARG 9 -18.641 0.447 1.136
87 H GLY 10 HN GLY 10 -10.802 2.088 0.504
88 HA2 GLY 10 2HA GLY 10 -10.998 4.482 0.841
89 HA3 GLY 10 1HA GLY 10 -11.866 4.142 2.335
90 H ILE 11 HN ILE 11 -9.879 1.913 2.846
91 HA ILE 11 HA ILE 11 -8.002 3.547 4.288
92 HB ILE 11 HB ILE 11 -8.205 0.520 4.078
93 HG12 ILE 11 2HG1 ILE 11 -8.925 0.714 6.540
94 HG13 ILE 11 1HG1 ILE 11 -9.235 2.412 6.204
95 HG21 ILE 11 1HG2 ILE 11 -6.694 0.408 5.995
96 HG22 ILE 11 2HG2 ILE 11 -6.501 2.159 5.934
97 HG23 ILE 11 3HG2 ILE 11 -5.958 1.165 4.584
98 HD11 ILE 11 1HD1 ILE 11 -10.888 1.763 4.538
99 HD12 ILE 11 2HD1 ILE 11 -11.259 1.043 6.113
100 HD13 ILE 11 3HD1 ILE 11 -10.516 0.068 4.835
101 H CYS 12 HN CYS 12 -6.268 4.275 3.226
102 HA CYS 12 HA CYS 12 -5.128 2.500 1.206
103 HB2 CYS 12 2HB CYS 12 -4.801 5.497 1.447
104 HB3 CYS 12 1HB CYS 12 -4.058 4.444 0.241
105 H TYR 13 HN TYR 13 -3.511 1.436 1.905
106 HA TYR 13 HA TYR 13 -1.800 2.654 3.951
107 HB2 TYR 13 2HB TYR 13 -1.305 0.326 4.730
108 HB3 TYR 13 1HB TYR 13 -2.965 0.837 4.979
109 HD1 TYR 13 1HD TYR 13 -4.776 -0.281 3.868
110 HD2 TYR 13 2HD TYR 13 -0.757 -1.384 3.004
111 HE1 TYR 13 1HE TYR 13 -5.588 -2.291 2.764
112 HE2 TYR 13 2HE TYR 13 -1.556 -3.423 1.894
113 HH TYR 13 HH TYR 13 -3.553 -4.886 1.927
114 H ARG 14 HN ARG 14 0.367 2.452 3.801
115 HA ARG 14 HA ARG 14 1.416 2.024 1.175
116 HB2 ARG 14 2HB ARG 14 2.320 3.853 2.480
117 HB3 ARG 14 1HB ARG 14 2.706 2.776 3.809
118 HG2 ARG 14 2HG ARG 14 4.412 1.685 2.442
119 HG3 ARG 14 1HG ARG 14 4.004 2.737 1.086
120 HD2 ARG 14 2HD ARG 14 4.692 4.681 2.336
121 HD3 ARG 14 1HD ARG 14 4.992 3.701 3.771
122 HE ARG 14 HE ARG 14 6.678 2.537 2.223
123 HH11 ARG 14 1HH1 ARG 14 6.000 6.012 2.205
124 HH12 ARG 14 2HH1 ARG 14 7.526 6.492 1.664
125 HH21 ARG 14 1HH2 ARG 14 8.818 3.157 1.491
126 HH22 ARG 14 2HH2 ARG 14 9.208 4.786 1.245
127 H LYS 15 HN LYS 15 2.209 0.203 0.428
128 HA LYS 15 HA LYS 15 2.886 -1.882 2.348
129 HB2 LYS 15 2HB LYS 15 0.780 -2.365 1.145
130 HB3 LYS 15 1HB LYS 15 1.612 -2.168 -0.385
131 HG2 LYS 15 2HG LYS 15 2.986 -4.130 0.096
132 HG3 LYS 15 1HG LYS 15 2.178 -4.303 1.662
133 HD2 LYS 15 2HD LYS 15 0.053 -4.692 0.572
134 HD3 LYS 15 1HD LYS 15 0.765 -4.375 -1.002
135 HE2 LYS 15 2HE LYS 15 0.473 -6.756 -0.638
136 HE3 LYS 15 1HE LYS 15 2.177 -6.347 -0.786
137 HZ1 LYS 15 1HZ LYS 15 2.373 -6.503 1.628
138 HZ2 LYS 15 2HZ LYS 15 1.760 -7.931 0.968
139 HZ3 LYS 15 3HZ LYS 15 0.724 -6.863 1.750
140 H CYS 16 HN CYS 16 4.904 -2.565 2.171
141 HA CYS 16 HA CYS 16 6.438 -1.754 -0.197
142 HB2 CYS 16 2HB CYS 16 7.378 -2.111 2.654
143 HB3 CYS 16 1HB CYS 16 8.393 -1.649 1.293
144 H ARG 17 HN ARG 17 8.047 -3.254 -0.896
145 HA ARG 17 HA ARG 17 7.397 -6.018 -0.153
146 HB2 ARG 17 2HB ARG 17 8.689 -4.911 -2.643
147 HB3 ARG 17 1HB ARG 17 8.405 -6.619 -2.344
148 HG2 ARG 17 2HG ARG 17 6.014 -6.260 -2.357
149 HG3 ARG 17 1HG ARG 17 6.255 -4.519 -2.523
150 HD2 ARG 17 2HD ARG 17 5.695 -5.514 -4.670
151 HD3 ARG 17 1HD ARG 17 7.335 -4.882 -4.685
152 HE ARG 17 HE ARG 17 7.286 -7.622 -3.989
153 HH11 ARG 17 1HH1 ARG 17 7.056 -5.434 -6.775
154 HH12 ARG 17 2HH1 ARG 17 7.627 -6.599 -7.889
155 HH21 ARG 17 1HH2 ARG 17 8.055 -9.198 -5.552
156 HH22 ARG 17 2HH2 ARG 17 8.211 -8.749 -7.195
157 HN1 NH2 18 1H ARG 17 8.730 -6.288 1.567
158 HN2 NH2 18 2H ARG 17 10.451 -6.205 1.486
Start of MODEL 7
1 H1 ARG 1 1HT ARG 1 14.332 3.309 -1.349
2 H2 ARG 1 2HT ARG 1 14.621 3.028 -2.973
3 H3 ARG 1 3HT ARG 1 15.345 2.035 -1.835
4 HA ARG 1 HA ARG 1 13.522 0.940 -2.924
5 HB2 ARG 1 2HB ARG 1 12.203 0.275 -0.975
6 HB3 ARG 1 1HB ARG 1 13.908 0.359 -0.565
7 HG2 ARG 1 2HG ARG 1 13.604 2.387 0.638
8 HG3 ARG 1 1HG ARG 1 11.955 2.576 0.034
9 HD2 ARG 1 2HD ARG 1 11.276 0.594 1.248
10 HD3 ARG 1 1HD ARG 1 12.924 0.337 1.814
11 HE ARG 1 HE ARG 1 12.386 2.813 2.676
12 HH11 ARG 1 1HH1 ARG 1 10.538 -0.174 2.934
13 HH12 ARG 1 2HH1 ARG 1 9.891 0.146 4.470
14 HH21 ARG 1 1HH2 ARG 1 11.482 3.301 4.826
15 HH22 ARG 1 2HH2 ARG 1 10.438 2.178 5.576
16 H TRP 2 HN TRP 2 11.331 0.880 -3.475
17 HA TRP 2 HA TRP 2 9.899 3.383 -3.051
18 HB2 TRP 2 2HB TRP 2 9.787 1.543 -5.451
19 HB3 TRP 2 1HB TRP 2 8.641 2.845 -5.159
20 HD1 TRP 2 1HD TRP 2 10.075 5.336 -4.738
21 HE1 TRP 2 1HE TRP 2 11.847 6.304 -6.330
22 HE3 TRP 2 3HE TRP 2 11.408 1.047 -7.137
23 HZ2 TRP 2 2HZ TRP 2 13.583 5.363 -8.349
24 HZ3 TRP 2 3HZ TRP 2 13.134 1.164 -8.887
25 HH2 TRP 2 2HH TRP 2 14.190 3.280 -9.475
26 H CYS 3 HN CYS 3 7.942 3.193 -2.176
27 HA CYS 3 HA CYS 3 6.907 0.480 -1.840
28 HB2 CYS 3 2HB CYS 3 6.756 2.785 0.116
29 HB3 CYS 3 1HB CYS 3 5.912 1.251 0.308
30 H PHE 4 HN PHE 4 4.636 0.285 -1.899
31 HA PHE 4 HA PHE 4 3.472 2.345 -3.607
32 HB2 PHE 4 2HB PHE 4 2.009 0.455 -4.400
33 HB3 PHE 4 1HB PHE 4 3.716 0.298 -4.791
34 HD1 PHE 4 1HD PHE 4 5.073 -1.435 -3.753
35 HD2 PHE 4 2HD PHE 4 0.962 -1.030 -2.810
36 HE1 PHE 4 1HE PHE 4 5.105 -3.662 -2.720
37 HE2 PHE 4 2HE PHE 4 0.966 -3.246 -1.767
38 HZ PHE 4 HZ PHE 4 3.047 -4.580 -1.719
39 H ARG 5 HN ARG 5 1.182 2.717 -3.382
40 HA ARG 5 HA ARG 5 0.266 2.222 -0.644
41 HB2 ARG 5 2HB ARG 5 0.670 4.621 -1.422
42 HB3 ARG 5 1HB ARG 5 -0.687 4.395 -2.513
43 HG2 ARG 5 2HG ARG 5 -2.165 4.022 -0.623
44 HG3 ARG 5 1HG ARG 5 -0.802 4.182 0.487
45 HD2 ARG 5 2HD ARG 5 -0.436 6.482 -0.440
46 HD3 ARG 5 1HD ARG 5 -1.953 6.294 -1.320
47 HE ARG 5 HE ARG 5 -2.012 5.878 1.546
48 HH11 ARG 5 1HH1 ARG 5 -2.638 8.123 -1.128
49 HH12 ARG 5 2HH1 ARG 5 -3.674 9.127 -0.229
50 HH21 ARG 5 1HH2 ARG 5 -3.444 7.296 2.781
51 HH22 ARG 5 2HH2 ARG 5 -4.130 8.654 2.014
52 H VAL 6 HN VAL 6 -1.578 1.108 -0.383
53 HA VAL 6 HA VAL 6 -3.062 0.346 -2.808
54 HB VAL 6 HB VAL 6 -2.652 -1.333 -0.294
55 HG11 VAL 6 1HG1 VAL 6 -4.027 -2.056 -2.884
56 HG12 VAL 6 2HG1 VAL 6 -4.820 -1.768 -1.335
57 HG13 VAL 6 3HG1 VAL 6 -3.740 -3.148 -1.528
58 HG21 VAL 6 1HG2 VAL 6 -0.630 -1.235 -1.569
59 HG22 VAL 6 2HG2 VAL 6 -1.497 -1.657 -3.048
60 HG23 VAL 6 3HG2 VAL 6 -1.357 -2.834 -1.738
61 H CYS 7 HN CYS 7 -5.272 0.514 -2.691
62 HA CYS 7 HA CYS 7 -6.318 1.584 -0.180
63 HB2 CYS 7 2HB CYS 7 -7.257 2.075 -3.011
64 HB3 CYS 7 1HB CYS 7 -8.086 2.645 -1.566
65 H TYR 8 HN TYR 8 -7.798 0.520 0.841
66 HA TYR 8 HA TYR 8 -9.318 -1.589 -0.519
67 HB2 TYR 8 2HB TYR 8 -7.438 -2.604 0.728
68 HB3 TYR 8 1HB TYR 8 -7.957 -1.708 2.159
69 HD1 TYR 8 1HD TYR 8 -9.486 -2.623 3.646
70 HD2 TYR 8 2HD TYR 8 -9.081 -4.335 -0.220
71 HE1 TYR 8 1HE TYR 8 -10.949 -4.451 4.321
72 HE2 TYR 8 2HE TYR 8 -10.548 -6.180 0.434
73 HH TYR 8 HH TYR 8 -11.282 -7.286 2.463
74 H ARG 9 HN ARG 9 -11.308 -0.606 -0.469
75 HA ARG 9 HA ARG 9 -13.297 0.152 0.330
76 HB2 ARG 9 2HB ARG 9 -12.286 -1.118 2.874
77 HB3 ARG 9 1HB ARG 9 -13.909 -0.479 2.691
78 HG2 ARG 9 2HG ARG 9 -12.691 -2.761 1.143
79 HG3 ARG 9 1HG ARG 9 -13.909 -2.868 2.417
80 HD2 ARG 9 2HD ARG 9 -14.244 -1.564 -0.291
81 HD3 ARG 9 1HD ARG 9 -14.971 -3.073 0.249
82 HE ARG 9 HE ARG 9 -15.809 -1.209 2.061
83 HH11 ARG 9 1HH1 ARG 9 -16.042 -1.451 -1.466
84 HH12 ARG 9 2HH1 ARG 9 -17.526 -0.641 -1.548
85 HH21 ARG 9 1HH2 ARG 9 -17.787 -0.063 1.930
86 HH22 ARG 9 2HH2 ARG 9 -18.544 0.189 0.424
87 H GLY 10 HN GLY 10 -10.931 1.847 0.503
88 HA2 GLY 10 2HA GLY 10 -11.200 4.202 0.915
89 HA3 GLY 10 1HA GLY 10 -11.996 3.797 2.436
90 H ILE 11 HN ILE 11 -9.981 1.651 2.889
91 HA ILE 11 HA ILE 11 -8.134 3.292 4.332
92 HB ILE 11 HB ILE 11 -8.234 0.263 4.035
93 HG12 ILE 11 2HG1 ILE 11 -8.935 0.366 6.515
94 HG13 ILE 11 1HG1 ILE 11 -9.259 2.069 6.236
95 HG21 ILE 11 1HG2 ILE 11 -6.708 0.142 5.954
96 HG22 ILE 11 2HG2 ILE 11 -6.524 1.897 5.893
97 HG23 ILE 11 3HG2 ILE 11 -5.994 0.901 4.536
98 HD11 ILE 11 1HD1 ILE 11 -10.552 -0.221 4.790
99 HD12 ILE 11 2HD1 ILE 11 -10.940 1.487 4.584
100 HD13 ILE 11 3HD1 ILE 11 -11.280 0.683 6.122
101 H CYS 12 HN CYS 12 -6.733 4.298 3.031
102 HA CYS 12 HA CYS 12 -5.269 2.671 1.106
103 HB2 CYS 12 2HB CYS 12 -5.289 5.686 1.434
104 HB3 CYS 12 1HB CYS 12 -4.385 4.779 0.225
105 H TYR 13 HN TYR 13 -3.515 1.813 1.767
106 HA TYR 13 HA TYR 13 -1.963 3.117 3.900
107 HB2 TYR 13 2HB TYR 13 -1.414 0.846 4.721
108 HB3 TYR 13 1HB TYR 13 -3.135 1.206 4.837
109 HD1 TYR 13 1HD TYR 13 -0.594 -0.935 3.347
110 HD2 TYR 13 2HD TYR 13 -4.719 0.101 3.260
111 HE1 TYR 13 1HE TYR 13 -1.084 -2.988 2.116
112 HE2 TYR 13 2HE TYR 13 -5.229 -1.928 2.052
113 HH TYR 13 HH TYR 13 -2.975 -4.476 1.711
114 H ARG 14 HN ARG 14 0.312 2.462 3.895
115 HA ARG 14 HA ARG 14 1.228 2.055 1.152
116 HB2 ARG 14 2HB ARG 14 1.955 4.160 2.145
117 HB3 ARG 14 1HB ARG 14 2.623 3.306 3.527
118 HG2 ARG 14 2HG ARG 14 4.330 2.321 2.176
119 HG3 ARG 14 1HG ARG 14 3.589 2.944 0.701
120 HD2 ARG 14 2HD ARG 14 5.520 4.282 1.370
121 HD3 ARG 14 1HD ARG 14 4.030 5.218 1.421
122 HE ARG 14 HE ARG 14 4.658 4.097 3.956
123 HH11 ARG 14 1HH1 ARG 14 5.504 6.755 1.774
124 HH12 ARG 14 2HH1 ARG 14 6.015 7.790 3.029
125 HH21 ARG 14 1HH2 ARG 14 5.348 5.528 5.659
126 HH22 ARG 14 2HH2 ARG 14 5.928 7.091 5.260
127 H LYS 15 HN LYS 15 2.388 0.314 0.643
128 HA LYS 15 HA LYS 15 3.296 -1.409 2.826
129 HB2 LYS 15 2HB LYS 15 1.088 -2.162 1.871
130 HB3 LYS 15 1HB LYS 15 1.883 -2.349 0.319
131 HG2 LYS 15 2HG LYS 15 3.328 -4.078 1.253
132 HG3 LYS 15 1HG LYS 15 2.572 -3.861 2.834
133 HD2 LYS 15 2HD LYS 15 0.388 -4.462 1.806
134 HD3 LYS 15 1HD LYS 15 1.234 -4.803 0.301
135 HE2 LYS 15 2HE LYS 15 1.729 -6.179 2.940
136 HE3 LYS 15 1HE LYS 15 0.764 -6.829 1.621
137 HZ1 LYS 15 1HZ LYS 15 3.698 -6.275 1.530
138 HZ2 LYS 15 2HZ LYS 15 2.751 -6.772 0.231
139 HZ3 LYS 15 3HZ LYS 15 2.930 -7.786 1.542
140 H CYS 16 HN CYS 16 5.123 -2.680 2.246
141 HA CYS 16 HA CYS 16 6.468 -1.779 -0.192
142 HB2 CYS 16 2HB CYS 16 7.745 -2.490 2.460
143 HB3 CYS 16 1HB CYS 16 8.556 -1.892 1.016
144 H ARG 17 HN ARG 17 7.707 -3.368 -1.228
145 HA ARG 17 HA ARG 17 6.877 -6.087 -0.714
146 HB2 ARG 17 2HB ARG 17 6.784 -5.166 -2.997
147 HB3 ARG 17 1HB ARG 17 8.510 -4.862 -2.938
148 HG2 ARG 17 2HG ARG 17 8.934 -7.259 -2.807
149 HG3 ARG 17 1HG ARG 17 7.193 -7.563 -2.845
150 HD2 ARG 17 2HD ARG 17 8.750 -6.135 -4.982
151 HD3 ARG 17 1HD ARG 17 8.263 -7.827 -5.066
152 HE ARG 17 HE ARG 17 5.933 -6.641 -4.658
153 HH11 ARG 17 1HH1 ARG 17 8.507 -5.719 -6.916
154 HH12 ARG 17 2HH1 ARG 17 7.440 -5.109 -8.089
155 HH21 ARG 17 1HH2 ARG 17 4.467 -5.772 -6.293
156 HH22 ARG 17 2HH2 ARG 17 5.126 -5.145 -7.741
157 HN1 NH2 18 1H ARG 17 8.013 -6.853 0.965
158 HN2 NH2 18 2H ARG 17 9.740 -6.864 1.089
Start of MODEL 8
1 H1 ARG 1 1HT ARG 1 13.419 3.536 -2.102
2 H2 ARG 1 2HT ARG 1 13.924 3.711 -0.502
3 H3 ARG 1 3HT ARG 1 12.432 4.312 -0.992
4 HA ARG 1 HA ARG 1 13.160 1.458 -1.000
5 HB2 ARG 1 2HB ARG 1 12.848 2.437 1.306
6 HB3 ARG 1 1HB ARG 1 11.248 2.961 0.815
7 HG2 ARG 1 2HG ARG 1 10.539 0.682 0.533
8 HG3 ARG 1 1HG ARG 1 12.165 0.101 0.876
9 HD2 ARG 1 2HD ARG 1 12.009 1.097 3.121
10 HD3 ARG 1 1HD ARG 1 10.343 1.566 2.769
11 HE ARG 1 HE ARG 1 10.582 -1.142 2.254
12 HH11 ARG 1 1HH1 ARG 1 10.809 0.978 5.057
13 HH12 ARG 1 2HH1 ARG 1 10.236 -0.177 6.167
14 HH21 ARG 1 1HH2 ARG 1 9.853 -2.782 3.805
15 HH22 ARG 1 2HH2 ARG 1 9.740 -2.345 5.440
16 H TRP 2 HN TRP 2 11.660 0.151 -2.013
17 HA TRP 2 HA TRP 2 9.800 1.599 -3.664
18 HB2 TRP 2 2HB TRP 2 10.669 -1.288 -3.616
19 HB3 TRP 2 1HB TRP 2 9.346 -0.720 -4.628
20 HD1 TRP 2 1HD TRP 2 9.951 0.625 -6.795
21 HE1 TRP 2 1HE TRP 2 12.154 1.090 -8.036
22 HE3 TRP 2 3HE TRP 2 13.269 -0.858 -3.195
23 HZ2 TRP 2 2HZ TRP 2 14.897 0.867 -7.557
24 HZ3 TRP 2 3HZ TRP 2 15.667 -0.691 -3.676
25 HH2 TRP 2 2HH TRP 2 16.464 0.154 -5.818
26 H CYS 3 HN CYS 3 7.995 2.130 -2.848
27 HA CYS 3 HA CYS 3 6.422 0.170 -1.366
28 HB2 CYS 3 2HB CYS 3 6.766 3.078 -0.613
29 HB3 CYS 3 1HB CYS 3 5.685 1.932 0.162
30 H PHE 4 HN PHE 4 4.318 0.207 -1.772
31 HA PHE 4 HA PHE 4 3.397 2.162 -3.709
32 HB2 PHE 4 2HB PHE 4 2.074 0.290 -4.773
33 HB3 PHE 4 1HB PHE 4 3.826 0.145 -4.908
34 HD1 PHE 4 1HD PHE 4 5.029 -1.639 -3.851
35 HD2 PHE 4 2HD PHE 4 0.832 -1.251 -3.348
36 HE1 PHE 4 1HE PHE 4 4.932 -3.916 -2.922
37 HE2 PHE 4 2HE PHE 4 0.722 -3.509 -2.412
38 HZ PHE 4 HZ PHE 4 2.789 -4.855 -2.198
39 H ARG 5 HN ARG 5 1.153 2.663 -3.540
40 HA ARG 5 HA ARG 5 0.239 2.197 -0.802
41 HB2 ARG 5 2HB ARG 5 0.764 4.555 -1.690
42 HB3 ARG 5 1HB ARG 5 -0.701 4.382 -2.642
43 HG2 ARG 5 2HG ARG 5 -2.001 4.084 -0.599
44 HG3 ARG 5 1HG ARG 5 -0.529 4.245 0.360
45 HD2 ARG 5 2HD ARG 5 -0.211 6.494 -0.737
46 HD3 ARG 5 1HD ARG 5 -1.843 6.303 -1.377
47 HE ARG 5 HE ARG 5 -1.474 6.043 1.481
48 HH11 ARG 5 1HH1 ARG 5 -2.560 8.068 -1.207
49 HH12 ARG 5 2HH1 ARG 5 -3.409 9.170 -0.236
50 HH21 ARG 5 1HH2 ARG 5 -2.621 7.596 2.842
51 HH22 ARG 5 2HH2 ARG 5 -3.447 8.900 2.103
52 H VAL 6 HN VAL 6 -1.528 1.046 -0.531
53 HA VAL 6 HA VAL 6 -3.195 0.474 -2.878
54 HB VAL 6 HB VAL 6 -2.577 -1.382 -0.540
55 HG11 VAL 6 1HG1 VAL 6 -4.848 -1.714 -1.373
56 HG12 VAL 6 2HG1 VAL 6 -3.816 -3.082 -1.794
57 HG13 VAL 6 3HG1 VAL 6 -4.231 -1.880 -3.016
58 HG21 VAL 6 1HG2 VAL 6 -1.461 -2.771 -2.206
59 HG22 VAL 6 2HG2 VAL 6 -0.708 -1.186 -2.023
60 HG23 VAL 6 3HG2 VAL 6 -1.735 -1.521 -3.422
61 H CYS 7 HN CYS 7 -5.308 0.808 -2.643
62 HA CYS 7 HA CYS 7 -6.218 1.645 -0.003
63 HB2 CYS 7 2HB CYS 7 -7.317 2.284 -2.731
64 HB3 CYS 7 1HB CYS 7 -7.988 2.835 -1.198
65 H TYR 8 HN TYR 8 -7.646 0.539 0.976
66 HA TYR 8 HA TYR 8 -9.202 -1.500 -0.447
67 HB2 TYR 8 2HB TYR 8 -7.263 -2.476 0.783
68 HB3 TYR 8 1HB TYR 8 -7.855 -1.678 2.238
69 HD1 TYR 8 1HD TYR 8 -9.359 -2.753 3.642
70 HD2 TYR 8 2HD TYR 8 -8.791 -4.222 -0.298
71 HE1 TYR 8 1HE TYR 8 -10.683 -4.688 4.208
72 HE2 TYR 8 2HE TYR 8 -10.131 -6.202 0.234
73 HH TYR 8 HH TYR 8 -10.817 -7.461 2.122
74 H ARG 9 HN ARG 9 -11.225 -0.644 -0.302
75 HA ARG 9 HA ARG 9 -13.208 0.109 0.551
76 HB2 ARG 9 2HB ARG 9 -12.022 -0.606 3.241
77 HB3 ARG 9 1HB ARG 9 -13.712 -0.262 2.928
78 HG2 ARG 9 2HG ARG 9 -13.849 -2.273 1.530
79 HG3 ARG 9 1HG ARG 9 -12.143 -2.594 1.849
80 HD2 ARG 9 2HD ARG 9 -12.616 -2.709 4.252
81 HD3 ARG 9 1HD ARG 9 -14.324 -2.435 3.919
82 HE ARG 9 HE ARG 9 -13.585 -4.608 2.423
83 HH11 ARG 9 1HH1 ARG 9 -13.575 -3.818 5.878
84 HH12 ARG 9 2HH1 ARG 9 -13.949 -5.384 6.393
85 HH21 ARG 9 1HH2 ARG 9 -14.043 -6.801 3.142
86 HH22 ARG 9 2HH2 ARG 9 -14.206 -7.141 4.802
87 H GLY 10 HN GLY 10 -10.786 1.864 0.389
88 HA2 GLY 10 2HA GLY 10 -10.815 4.236 0.592
89 HA3 GLY 10 1HA GLY 10 -11.838 4.063 2.012
90 H ILE 11 HN ILE 11 -9.872 1.803 2.847
91 HA ILE 11 HA ILE 11 -8.133 3.519 4.355
92 HB ILE 11 HB ILE 11 -8.183 0.477 4.162
93 HG12 ILE 11 2HG1 ILE 11 -9.038 0.698 6.612
94 HG13 ILE 11 1HG1 ILE 11 -9.487 2.335 6.152
95 HG21 ILE 11 1HG2 ILE 11 -6.807 0.439 6.183
96 HG22 ILE 11 2HG2 ILE 11 -6.681 2.199 6.117
97 HG23 ILE 11 3HG2 ILE 11 -6.006 1.212 4.817
98 HD11 ILE 11 1HD1 ILE 11 -10.955 1.420 4.418
99 HD12 ILE 11 2HD1 ILE 11 -11.368 0.781 6.014
100 HD13 ILE 11 3HD1 ILE 11 -10.458 -0.209 4.869
101 H CYS 12 HN CYS 12 -6.533 4.408 3.198
102 HA CYS 12 HA CYS 12 -5.182 2.715 1.248
103 HB2 CYS 12 2HB CYS 12 -4.970 5.703 1.650
104 HB3 CYS 12 1HB CYS 12 -4.164 4.758 0.400
105 H TYR 13 HN TYR 13 -3.512 1.701 1.878
106 HA TYR 13 HA TYR 13 -1.811 2.891 3.948
107 HB2 TYR 13 2HB TYR 13 -1.253 0.522 4.615
108 HB3 TYR 13 1HB TYR 13 -2.908 1.004 4.960
109 HD1 TYR 13 1HD TYR 13 -4.757 -0.048 3.841
110 HD2 TYR 13 2HD TYR 13 -0.767 -1.104 2.815
111 HE1 TYR 13 1HE TYR 13 -5.601 -1.976 2.631
112 HE2 TYR 13 2HE TYR 13 -1.592 -3.052 1.587
113 HH TYR 13 HH TYR 13 -3.540 -4.479 1.504
114 H ARG 14 HN ARG 14 0.447 2.142 3.808
115 HA ARG 14 HA ARG 14 1.196 1.895 1.002
116 HB2 ARG 14 2HB ARG 14 1.927 3.935 2.189
117 HB3 ARG 14 1HB ARG 14 2.777 2.937 3.354
118 HG2 ARG 14 2HG ARG 14 4.196 2.081 1.567
119 HG3 ARG 14 1HG ARG 14 3.369 3.131 0.411
120 HD2 ARG 14 2HD ARG 14 5.448 4.149 1.122
121 HD3 ARG 14 1HD ARG 14 4.085 5.090 1.729
122 HE ARG 14 HE ARG 14 4.625 3.402 3.756
123 HH11 ARG 14 1HH1 ARG 14 6.656 5.626 1.948
124 HH12 ARG 14 2HH1 ARG 14 7.723 5.955 3.237
125 HH21 ARG 14 1HH2 ARG 14 6.035 3.833 5.524
126 HH22 ARG 14 2HH2 ARG 14 7.347 4.897 5.335
127 H LYS 15 HN LYS 15 2.198 0.109 0.402
128 HA LYS 15 HA LYS 15 3.113 -1.741 2.481
129 HB2 LYS 15 2HB LYS 15 0.955 -2.218 1.115
130 HB3 LYS 15 1HB LYS 15 2.040 -2.488 -0.234
131 HG2 LYS 15 2HG LYS 15 3.063 -4.344 0.911
132 HG3 LYS 15 1HG LYS 15 2.099 -4.015 2.360
133 HD2 LYS 15 2HD LYS 15 0.043 -4.347 1.009
134 HD3 LYS 15 1HD LYS 15 1.055 -4.814 -0.350
135 HE2 LYS 15 2HE LYS 15 0.965 -6.224 2.316
136 HE3 LYS 15 1HE LYS 15 0.094 -6.730 0.876
137 HZ1 LYS 15 1HZ LYS 15 2.251 -7.042 -0.238
138 HZ2 LYS 15 2HZ LYS 15 2.091 -7.987 1.134
139 HZ3 LYS 15 3HZ LYS 15 3.042 -6.616 1.193
140 H CYS 16 HN CYS 16 5.172 -2.587 2.080
141 HA CYS 16 HA CYS 16 6.522 -1.319 -0.179
142 HB2 CYS 16 2HB CYS 16 7.628 -1.908 2.559
143 HB3 CYS 16 1HB CYS 16 8.531 -1.218 1.215
144 H ARG 17 HN ARG 17 7.887 -2.405 -1.403
145 HA ARG 17 HA ARG 17 8.862 -5.005 -0.799
146 HB2 ARG 17 2HB ARG 17 6.541 -5.564 -1.453
147 HB3 ARG 17 1HB ARG 17 6.784 -4.716 -2.970
148 HG2 ARG 17 2HG ARG 17 8.429 -6.341 -3.661
149 HG3 ARG 17 1HG ARG 17 8.302 -7.161 -2.102
150 HD2 ARG 17 2HD ARG 17 5.981 -7.677 -2.530
151 HD3 ARG 17 1HD ARG 17 6.038 -6.785 -4.042
152 HE ARG 17 HE ARG 17 7.871 -8.521 -4.573
153 HH11 ARG 17 1HH1 ARG 17 4.992 -9.240 -2.649
154 HH12 ARG 17 2HH1 ARG 17 4.751 -10.779 -3.332
155 HH21 ARG 17 1HH2 ARG 17 7.527 -10.618 -5.511
156 HH22 ARG 17 2HH2 ARG 17 6.172 -11.555 -5.007
157 HN1 NH2 18 1H ARG 17 10.802 -4.100 -1.238
158 HN2 NH2 18 2H ARG 17 11.306 -3.580 -2.805
Start of MODEL 9
1 H1 ARG 1 1HT ARG 1 12.606 4.292 -2.031
2 H2 ARG 1 2HT ARG 1 13.552 3.949 -0.685
3 H3 ARG 1 3HT ARG 1 11.855 3.990 -0.562
4 HA ARG 1 HA ARG 1 13.379 2.134 -2.264
5 HB2 ARG 1 2HB ARG 1 12.723 0.357 -0.706
6 HB3 ARG 1 1HB ARG 1 13.675 1.573 0.123
7 HG2 ARG 1 2HG ARG 1 11.691 2.479 1.142
8 HG3 ARG 1 1HG ARG 1 10.673 1.352 0.231
9 HD2 ARG 1 2HD ARG 1 11.828 -0.515 1.319
10 HD3 ARG 1 1HD ARG 1 12.786 0.637 2.251
11 HE ARG 1 HE ARG 1 10.146 1.259 2.712
12 HH11 ARG 1 1HH1 ARG 1 12.314 -1.453 3.308
13 HH12 ARG 1 2HH1 ARG 1 11.441 -2.059 4.646
14 HH21 ARG 1 1HH2 ARG 1 8.950 0.467 4.505
15 HH22 ARG 1 2HH2 ARG 1 9.458 -0.924 5.351
16 H TRP 2 HN TRP 2 11.784 0.178 -2.642
17 HA TRP 2 HA TRP 2 9.726 1.292 -4.248
18 HB2 TRP 2 2HB TRP 2 11.143 -0.657 -4.881
19 HB3 TRP 2 1HB TRP 2 10.344 -1.599 -3.633
20 HD1 TRP 2 1HD TRP 2 9.454 0.290 -6.882
21 HE1 TRP 2 1HE TRP 2 7.507 -0.992 -8.029
22 HE3 TRP 2 3HE TRP 2 8.588 -3.257 -3.332
23 HZ2 TRP 2 2HZ TRP 2 5.865 -3.189 -7.493
24 HZ3 TRP 2 3HZ TRP 2 6.817 -4.916 -3.726
25 HH2 TRP 2 2HH TRP 2 5.483 -4.866 -5.774
26 H CYS 3 HN CYS 3 7.839 1.851 -3.535
27 HA CYS 3 HA CYS 3 6.316 0.202 -1.669
28 HB2 CYS 3 2HB CYS 3 6.829 3.157 -1.308
29 HB3 CYS 3 1HB CYS 3 5.600 2.248 -0.450
30 H PHE 4 HN PHE 4 4.168 0.294 -2.007
31 HA PHE 4 HA PHE 4 3.176 2.320 -3.804
32 HB2 PHE 4 2HB PHE 4 1.956 0.677 -5.184
33 HB3 PHE 4 1HB PHE 4 3.697 0.412 -5.200
34 HD1 PHE 4 1HD PHE 4 0.480 -0.933 -4.153
35 HD2 PHE 4 2HD PHE 4 4.675 -1.585 -4.260
36 HE1 PHE 4 1HE PHE 4 0.111 -3.289 -3.628
37 HE2 PHE 4 2HE PHE 4 4.325 -3.953 -3.735
38 HZ PHE 4 HZ PHE 4 2.051 -4.825 -3.425
39 H ARG 5 HN ARG 5 1.152 2.980 -3.360
40 HA ARG 5 HA ARG 5 0.111 2.085 -0.776
41 HB2 ARG 5 2HB ARG 5 0.681 4.517 -1.310
42 HB3 ARG 5 1HB ARG 5 -0.696 4.496 -2.393
43 HG2 ARG 5 2HG ARG 5 -2.174 4.033 -0.499
44 HG3 ARG 5 1HG ARG 5 -0.780 4.088 0.588
45 HD2 ARG 5 2HD ARG 5 -0.312 6.391 -0.243
46 HD3 ARG 5 1HD ARG 5 -1.818 6.329 -1.145
47 HE ARG 5 HE ARG 5 -1.719 6.038 1.764
48 HH11 ARG 5 1HH1 ARG 5 -3.266 7.470 -1.129
49 HH12 ARG 5 2HH1 ARG 5 -4.176 8.586 -0.256
50 HH21 ARG 5 1HH2 ARG 5 -3.042 7.656 2.961
51 HH22 ARG 5 2HH2 ARG 5 -4.065 8.684 2.064
52 H VAL 6 HN VAL 6 -1.749 1.022 -0.652
53 HA VAL 6 HA VAL 6 -3.445 0.871 -3.046
54 HB VAL 6 HB VAL 6 -2.871 -1.391 -1.070
55 HG11 VAL 6 1HG1 VAL 6 -5.198 -1.452 -1.833
56 HG12 VAL 6 2HG1 VAL 6 -4.272 -2.789 -2.522
57 HG13 VAL 6 3HG1 VAL 6 -4.656 -1.380 -3.510
58 HG21 VAL 6 1HG2 VAL 6 -1.914 -2.546 -2.992
59 HG22 VAL 6 2HG2 VAL 6 -1.054 -1.048 -2.624
60 HG23 VAL 6 3HG2 VAL 6 -2.175 -1.112 -3.984
61 H CYS 7 HN CYS 7 -5.583 1.203 -2.692
62 HA CYS 7 HA CYS 7 -6.312 1.725 0.079
63 HB2 CYS 7 2HB CYS 7 -7.455 2.893 -2.459
64 HB3 CYS 7 1HB CYS 7 -8.043 3.207 -0.828
65 H TYR 8 HN TYR 8 -7.766 0.582 0.978
66 HA TYR 8 HA TYR 8 -9.471 -1.151 -0.654
67 HB2 TYR 8 2HB TYR 8 -7.851 -2.438 0.672
68 HB3 TYR 8 1HB TYR 8 -8.354 -1.573 2.120
69 HD1 TYR 8 1HD TYR 8 -9.891 -2.551 3.526
70 HD2 TYR 8 2HD TYR 8 -9.788 -3.805 -0.539
71 HE1 TYR 8 1HE TYR 8 -11.523 -4.295 4.032
72 HE2 TYR 8 2HE TYR 8 -11.426 -5.554 -0.044
73 HH TYR 8 HH TYR 8 -13.205 -5.618 2.820
74 H ARG 9 HN ARG 9 -11.059 0.349 -0.822
75 HA ARG 9 HA ARG 9 -13.003 1.404 -0.354
76 HB2 ARG 9 2HB ARG 9 -13.157 -0.468 2.016
77 HB3 ARG 9 1HB ARG 9 -14.507 0.309 1.204
78 HG2 ARG 9 2HG ARG 9 -12.736 -1.885 0.144
79 HG3 ARG 9 1HG ARG 9 -14.447 -1.994 0.519
80 HD2 ARG 9 2HD ARG 9 -13.190 -0.348 -1.688
81 HD3 ARG 9 1HD ARG 9 -14.052 -1.864 -1.897
82 HE ARG 9 HE ARG 9 -15.881 -0.296 -0.714
83 HH11 ARG 9 1HH1 ARG 9 -13.830 0.187 -3.572
84 HH12 ARG 9 2HH1 ARG 9 -14.956 1.168 -4.386
85 HH21 ARG 9 1HH2 ARG 9 -17.425 1.004 -1.850
86 HH22 ARG 9 2HH2 ARG 9 -17.066 1.648 -3.388
87 H GLY 10 HN GLY 10 -10.841 2.788 0.533
88 HA2 GLY 10 2HA GLY 10 -11.026 4.910 1.660
89 HA3 GLY 10 1HA GLY 10 -11.919 4.096 2.936
90 H ILE 11 HN ILE 11 -10.058 1.816 2.986
91 HA ILE 11 HA ILE 11 -8.144 3.028 4.766
92 HB ILE 11 HB ILE 11 -8.579 0.096 4.068
93 HG12 ILE 11 2HG1 ILE 11 -9.437 -0.050 6.473
94 HG13 ILE 11 1HG1 ILE 11 -9.511 1.703 6.466
95 HG21 ILE 11 1HG2 ILE 11 -7.187 -0.436 6.017
96 HG22 ILE 11 2HG2 ILE 11 -6.849 1.282 6.227
97 HG23 ILE 11 3HG2 ILE 11 -6.305 0.449 4.770
98 HD11 ILE 11 1HD1 ILE 11 -11.044 -0.150 4.649
99 HD12 ILE 11 2HD1 ILE 11 -11.159 1.609 4.662
100 HD13 ILE 11 3HD1 ILE 11 -11.688 0.682 6.066
101 H CYS 12 HN CYS 12 -6.461 3.930 3.758
102 HA CYS 12 HA CYS 12 -5.280 2.473 1.516
103 HB2 CYS 12 2HB CYS 12 -4.818 5.348 2.351
104 HB3 CYS 12 1HB CYS 12 -4.116 4.552 0.954
105 H TYR 13 HN TYR 13 -3.549 1.412 1.806
106 HA TYR 13 HA TYR 13 -1.813 2.078 4.056
107 HB2 TYR 13 2HB TYR 13 -1.400 -0.413 4.275
108 HB3 TYR 13 1HB TYR 13 -3.002 0.118 4.770
109 HD1 TYR 13 1HD TYR 13 -1.096 -1.828 2.322
110 HD2 TYR 13 2HD TYR 13 -4.964 -0.463 3.437
111 HE1 TYR 13 1HE TYR 13 -2.097 -3.450 0.807
112 HE2 TYR 13 2HE TYR 13 -5.988 -2.076 1.926
113 HH TYR 13 HH TYR 13 -4.279 -4.638 0.521
114 H ARG 14 HN ARG 14 0.401 1.112 3.710
115 HA ARG 14 HA ARG 14 1.044 1.365 0.864
116 HB2 ARG 14 2HB ARG 14 1.689 3.346 2.139
117 HB3 ARG 14 1HB ARG 14 2.612 2.343 3.244
118 HG2 ARG 14 2HG ARG 14 4.045 1.662 1.333
119 HG3 ARG 14 1HG ARG 14 3.173 2.825 0.328
120 HD2 ARG 14 2HD ARG 14 5.243 3.791 1.168
121 HD3 ARG 14 1HD ARG 14 3.842 4.626 1.844
122 HE ARG 14 HE ARG 14 4.546 2.600 3.603
123 HH11 ARG 14 1HH1 ARG 14 6.018 5.577 2.377
124 HH12 ARG 14 2HH1 ARG 14 6.890 5.904 3.802
125 HH21 ARG 14 1HH2 ARG 14 5.695 3.028 5.550
126 HH22 ARG 14 2HH2 ARG 14 6.706 4.372 5.685
127 H LYS 15 HN LYS 15 1.924 -0.364 0.061
128 HA LYS 15 HA LYS 15 3.103 -2.339 1.847
129 HB2 LYS 15 2HB LYS 15 2.280 -2.519 -1.055
130 HB3 LYS 15 1HB LYS 15 2.943 -3.837 -0.096
131 HG2 LYS 15 2HG LYS 15 1.004 -3.771 1.376
132 HG3 LYS 15 1HG LYS 15 0.350 -2.408 0.470
133 HD2 LYS 15 2HD LYS 15 -0.736 -4.490 -0.210
134 HD3 LYS 15 1HD LYS 15 0.211 -3.818 -1.534
135 HE2 LYS 15 2HE LYS 15 0.504 -6.205 -1.402
136 HE3 LYS 15 1HE LYS 15 2.016 -5.399 -1.026
137 HZ1 LYS 15 1HZ LYS 15 0.122 -6.552 0.955
138 HZ2 LYS 15 2HZ LYS 15 1.554 -5.769 1.346
139 HZ3 LYS 15 3HZ LYS 15 1.597 -7.212 0.491
140 H CYS 16 HN CYS 16 5.266 -2.719 1.757
141 HA CYS 16 HA CYS 16 6.799 -1.346 -0.337
142 HB2 CYS 16 2HB CYS 16 7.354 -1.341 2.621
143 HB3 CYS 16 1HB CYS 16 8.477 -0.777 1.397
144 H ARG 17 HN ARG 17 9.018 -2.077 -0.436
145 HA ARG 17 HA ARG 17 9.485 -4.745 0.637
146 HB2 ARG 17 2HB ARG 17 8.909 -4.941 -1.767
147 HB3 ARG 17 1HB ARG 17 10.176 -3.787 -2.139
148 HG2 ARG 17 2HG ARG 17 11.880 -5.291 -1.542
149 HG3 ARG 17 1HG ARG 17 10.737 -6.399 -0.779
150 HD2 ARG 17 2HD ARG 17 10.727 -5.704 -3.706
151 HD3 ARG 17 1HD ARG 17 11.521 -7.126 -3.028
152 HE ARG 17 HE ARG 17 9.117 -7.490 -2.070
153 HH11 ARG 17 1HH1 ARG 17 9.825 -6.252 -5.302
154 HH12 ARG 17 2HH1 ARG 17 8.561 -7.106 -6.056
155 HH21 ARG 17 1HH2 ARG 17 7.373 -8.691 -3.145
156 HH22 ARG 17 2HH2 ARG 17 7.167 -8.507 -4.822
157 HN1 NH2 18 1H ARG 17 11.007 -4.436 2.054
158 HN2 NH2 18 2H ARG 17 12.356 -3.369 1.903
Start of MODEL 10
1 H1 ARG 1 1HT ARG 1 13.332 0.892 0.657
2 H2 ARG 1 2HT ARG 1 12.767 0.189 -0.760
3 H3 ARG 1 3HT ARG 1 11.703 0.525 0.505
4 HA ARG 1 HA ARG 1 12.038 2.841 0.320
5 HB2 ARG 1 2HB ARG 1 14.352 2.758 -0.538
6 HB3 ARG 1 1HB ARG 1 13.752 2.143 -2.070
7 HG2 ARG 1 2HG ARG 1 12.558 4.211 -2.467
8 HG3 ARG 1 1HG ARG 1 13.075 4.829 -0.901
9 HD2 ARG 1 2HD ARG 1 15.400 4.712 -1.622
10 HD3 ARG 1 1HD ARG 1 14.887 4.092 -3.194
11 HE ARG 1 HE ARG 1 13.522 6.445 -2.734
12 HH11 ARG 1 1HH1 ARG 1 16.924 5.539 -3.121
13 HH12 ARG 1 2HH1 ARG 1 17.345 6.976 -3.934
14 HH21 ARG 1 1HH2 ARG 1 14.137 8.431 -3.792
15 HH22 ARG 1 2HH2 ARG 1 15.745 8.655 -4.305
16 H TRP 2 HN TRP 2 11.649 0.518 -2.377
17 HA TRP 2 HA TRP 2 9.801 2.181 -3.750
18 HB2 TRP 2 2HB TRP 2 11.226 0.489 -4.901
19 HB3 TRP 2 1HB TRP 2 10.322 -0.780 -4.087
20 HD1 TRP 2 1HD TRP 2 9.805 1.996 -6.723
21 HE1 TRP 2 1HE TRP 2 7.850 1.311 -8.247
22 HE3 TRP 2 3HE TRP 2 8.316 -2.225 -4.273
23 HZ2 TRP 2 2HZ TRP 2 5.911 -0.752 -8.374
24 HZ3 TRP 2 3HZ TRP 2 6.401 -3.497 -5.171
25 HH2 TRP 2 2HH TRP 2 5.235 -2.762 -7.178
26 H CYS 3 HN CYS 3 7.775 2.478 -3.274
27 HA CYS 3 HA CYS 3 6.290 0.447 -1.794
28 HB2 CYS 3 2HB CYS 3 6.416 3.384 -1.116
29 HB3 CYS 3 1HB CYS 3 5.404 2.175 -0.340
30 H PHE 4 HN PHE 4 4.099 0.555 -2.101
31 HA PHE 4 HA PHE 4 3.136 2.492 -4.020
32 HB2 PHE 4 2HB PHE 4 1.885 0.674 -5.201
33 HB3 PHE 4 1HB PHE 4 3.636 0.522 -5.291
34 HD1 PHE 4 1HD PHE 4 4.805 -1.291 -4.256
35 HD2 PHE 4 2HD PHE 4 0.589 -0.944 -3.921
36 HE1 PHE 4 1HE PHE 4 4.683 -3.618 -3.482
37 HE2 PHE 4 2HE PHE 4 0.453 -3.256 -3.142
38 HZ PHE 4 HZ PHE 4 2.509 -4.609 -2.926
39 H ARG 5 HN ARG 5 0.836 2.824 -3.869
40 HA ARG 5 HA ARG 5 -0.033 2.494 -1.090
41 HB2 ARG 5 2HB ARG 5 0.129 4.756 -2.233
42 HB3 ARG 5 1HB ARG 5 -1.225 4.236 -3.225
43 HG2 ARG 5 2HG ARG 5 -2.579 3.969 -1.214
44 HG3 ARG 5 1HG ARG 5 -1.230 4.581 -0.253
45 HD2 ARG 5 2HD ARG 5 -1.276 6.608 -1.821
46 HD3 ARG 5 1HD ARG 5 -2.855 6.015 -2.331
47 HE ARG 5 HE ARG 5 -2.327 6.455 0.493
48 HH11 ARG 5 1HH1 ARG 5 -4.153 7.357 -2.408
49 HH12 ARG 5 2HH1 ARG 5 -5.125 8.482 -1.616
50 HH21 ARG 5 1HH2 ARG 5 -3.696 8.001 1.582
51 HH22 ARG 5 2HH2 ARG 5 -4.888 8.848 0.714
52 H VAL 6 HN VAL 6 -1.565 1.021 -0.692
53 HA VAL 6 HA VAL 6 -3.393 0.357 -2.881
54 HB VAL 6 HB VAL 6 -2.574 -1.459 -0.570
55 HG11 VAL 6 1HG1 VAL 6 -4.910 -1.808 -1.234
56 HG12 VAL 6 2HG1 VAL 6 -3.907 -3.180 -1.704
57 HG13 VAL 6 3HG1 VAL 6 -4.407 -1.998 -2.915
58 HG21 VAL 6 1HG2 VAL 6 -1.577 -2.859 -2.298
59 HG22 VAL 6 2HG2 VAL 6 -0.829 -1.262 -2.234
60 HG23 VAL 6 3HG2 VAL 6 -1.982 -1.648 -3.513
61 H CYS 7 HN CYS 7 -5.428 0.857 -2.553
62 HA CYS 7 HA CYS 7 -6.239 1.580 0.154
63 HB2 CYS 7 2HB CYS 7 -7.356 2.473 -2.517
64 HB3 CYS 7 1HB CYS 7 -7.987 2.936 -0.940
65 H TYR 8 HN TYR 8 -7.697 0.466 1.090
66 HA TYR 8 HA TYR 8 -9.323 -1.417 -0.456
67 HB2 TYR 8 2HB TYR 8 -7.551 -2.575 0.801
68 HB3 TYR 8 1HB TYR 8 -8.070 -1.730 2.258
69 HD1 TYR 8 1HD TYR 8 -9.512 -3.970 -0.370
70 HD2 TYR 8 2HD TYR 8 -9.411 -2.846 3.720
71 HE1 TYR 8 1HE TYR 8 -11.044 -5.798 0.158
72 HE2 TYR 8 2HE TYR 8 -10.937 -4.652 4.272
73 HH TYR 8 HH TYR 8 -11.664 -7.166 2.107
74 H ARG 9 HN ARG 9 -11.211 -0.338 -0.456
75 HA ARG 9 HA ARG 9 -13.205 0.531 0.262
76 HB2 ARG 9 2HB ARG 9 -12.383 -0.696 2.907
77 HB3 ARG 9 1HB ARG 9 -13.975 -0.044 2.565
78 HG2 ARG 9 2HG ARG 9 -12.693 -2.395 1.178
79 HG3 ARG 9 1HG ARG 9 -13.942 -2.484 2.421
80 HD2 ARG 9 2HD ARG 9 -15.416 -1.135 0.911
81 HD3 ARG 9 1HD ARG 9 -14.171 -1.287 -0.329
82 HE ARG 9 HE ARG 9 -14.843 -3.816 0.653
83 HH11 ARG 9 1HH1 ARG 9 -16.080 -1.266 -1.466
84 HH12 ARG 9 2HH1 ARG 9 -17.159 -2.295 -2.296
85 HH21 ARG 9 1HH2 ARG 9 -16.354 -5.226 -0.528
86 HH22 ARG 9 2HH2 ARG 9 -17.321 -4.554 -1.751
87 H GLY 10 HN GLY 10 -10.660 2.032 0.560
88 HA2 GLY 10 2HA GLY 10 -10.697 4.415 0.968
89 HA3 GLY 10 1HA GLY 10 -11.646 4.097 2.414
90 H ILE 11 HN ILE 11 -9.876 1.725 2.984
91 HA ILE 11 HA ILE 11 -7.968 3.130 4.584
92 HB ILE 11 HB ILE 11 -8.325 0.139 4.140
93 HG12 ILE 11 2HG1 ILE 11 -9.096 0.218 6.604
94 HG13 ILE 11 1HG1 ILE 11 -9.277 1.950 6.370
95 HG21 ILE 11 1HG2 ILE 11 -6.045 0.585 4.757
96 HG22 ILE 11 2HG2 ILE 11 -6.886 -0.215 6.085
97 HG23 ILE 11 3HG2 ILE 11 -6.580 1.523 6.150
98 HD11 ILE 11 1HD1 ILE 11 -10.696 -0.210 4.835
99 HD12 ILE 11 2HD1 ILE 11 -10.932 1.527 4.625
100 HD13 ILE 11 3HD1 ILE 11 -11.392 0.747 6.145
101 H CYS 12 HN CYS 12 -6.376 4.040 3.470
102 HA CYS 12 HA CYS 12 -5.041 2.460 1.407
103 HB2 CYS 12 2HB CYS 12 -4.727 5.393 2.035
104 HB3 CYS 12 1HB CYS 12 -4.024 4.534 0.667
105 H TYR 13 HN TYR 13 -3.254 1.515 1.804
106 HA TYR 13 HA TYR 13 -1.570 2.528 3.955
107 HB2 TYR 13 2HB TYR 13 -0.904 0.128 4.375
108 HB3 TYR 13 1HB TYR 13 -2.547 0.543 4.837
109 HD1 TYR 13 1HD TYR 13 -4.449 -0.360 3.596
110 HD2 TYR 13 2HD TYR 13 -0.465 -1.436 2.562
111 HE1 TYR 13 1HE TYR 13 -5.314 -2.239 2.315
112 HE2 TYR 13 2HE TYR 13 -1.311 -3.340 1.266
113 HH TYR 13 HH TYR 13 -3.288 -4.742 1.151
114 H ARG 14 HN ARG 14 0.672 2.125 3.720
115 HA ARG 14 HA ARG 14 1.436 2.196 0.915
116 HB2 ARG 14 2HB ARG 14 2.129 4.078 2.379
117 HB3 ARG 14 1HB ARG 14 2.997 2.951 3.404
118 HG2 ARG 14 2HG ARG 14 4.439 2.382 1.491
119 HG3 ARG 14 1HG ARG 14 3.614 3.617 0.533
120 HD2 ARG 14 2HD ARG 14 5.683 4.529 1.409
121 HD3 ARG 14 1HD ARG 14 4.322 5.309 2.214
122 HE ARG 14 HE ARG 14 4.898 3.291 3.879
123 HH11 ARG 14 1HH1 ARG 14 6.966 5.773 2.452
124 HH12 ARG 14 2HH1 ARG 14 8.042 5.827 3.761
125 HH21 ARG 14 1HH2 ARG 14 6.371 3.346 5.651
126 HH22 ARG 14 2HH2 ARG 14 7.694 4.425 5.644
127 H LYS 15 HN LYS 15 1.844 0.223 0.169
128 HA LYS 15 HA LYS 15 3.072 -1.697 1.961
129 HB2 LYS 15 2HB LYS 15 0.974 -2.300 0.711
130 HB3 LYS 15 1HB LYS 15 1.890 -2.167 -0.781
131 HG2 LYS 15 2HG LYS 15 3.345 -3.973 -0.088
132 HG3 LYS 15 1HG LYS 15 2.504 -4.064 1.463
133 HD2 LYS 15 2HD LYS 15 0.441 -4.671 0.318
134 HD3 LYS 15 1HD LYS 15 1.262 -4.578 -1.238
135 HE2 LYS 15 2HE LYS 15 1.097 -6.884 -0.502
136 HE3 LYS 15 1HE LYS 15 2.782 -6.372 -0.521
137 HZ1 LYS 15 1HZ LYS 15 1.071 -6.430 1.893
138 HZ2 LYS 15 2HZ LYS 15 2.740 -6.157 1.877
139 HZ3 LYS 15 3HZ LYS 15 2.112 -7.655 1.464
140 H CYS 16 HN CYS 16 5.164 -2.131 1.763
141 HA CYS 16 HA CYS 16 6.566 -1.141 -0.621
142 HB2 CYS 16 2HB CYS 16 7.609 -1.409 2.205
143 HB3 CYS 16 1HB CYS 16 8.450 -0.694 0.834
144 H ARG 17 HN ARG 17 8.553 -2.357 -1.121
145 HA ARG 17 HA ARG 17 8.282 -5.164 -0.325
146 HB2 ARG 17 2HB ARG 17 9.359 -4.004 -2.889
147 HB3 ARG 17 1HB ARG 17 9.640 -5.669 -2.415
148 HG2 ARG 17 2HG ARG 17 7.176 -6.008 -2.362
149 HG3 ARG 17 1HG ARG 17 6.985 -4.368 -2.991
150 HD2 ARG 17 2HD ARG 17 8.238 -4.933 -4.974
151 HD3 ARG 17 1HD ARG 17 8.593 -6.529 -4.324
152 HE ARG 17 HE ARG 17 5.823 -6.211 -4.448
153 HH11 ARG 17 1HH1 ARG 17 8.595 -6.554 -6.624
154 HH12 ARG 17 2HH1 ARG 17 7.733 -7.316 -7.866
155 HH21 ARG 17 1HH2 ARG 17 4.608 -7.288 -6.159
156 HH22 ARG 17 2HH2 ARG 17 5.391 -7.762 -7.585
157 HN1 NH2 18 1H ARG 17 9.486 -5.076 1.441
158 HN2 NH2 18 2H ARG 17 11.181 -4.756 1.486
Start of MODEL 11
1 H1 ARG 1 1HT ARG 1 14.426 2.641 -2.483
2 H2 ARG 1 2HT ARG 1 13.007 3.447 -2.931
3 H3 ARG 1 3HT ARG 1 13.562 2.162 -3.851
4 HA ARG 1 HA ARG 1 13.147 0.645 -2.054
5 HB2 ARG 1 2HB ARG 1 13.482 2.292 -0.233
6 HB3 ARG 1 1HB ARG 1 12.002 3.107 -0.711
7 HG2 ARG 1 2HG ARG 1 11.296 1.881 1.095
8 HG3 ARG 1 1HG ARG 1 10.900 0.799 -0.231
9 HD2 ARG 1 2HD ARG 1 13.405 0.624 1.447
10 HD3 ARG 1 1HD ARG 1 11.949 -0.303 1.745
11 HE ARG 1 HE ARG 1 13.030 -0.722 -0.900
12 HH11 ARG 1 1HH1 ARG 1 13.225 -1.749 2.479
13 HH12 ARG 1 2HH1 ARG 1 13.956 -3.248 2.099
14 HH21 ARG 1 1HH2 ARG 1 14.013 -2.729 -1.382
15 HH22 ARG 1 2HH2 ARG 1 14.416 -3.826 -0.146
16 H TRP 2 HN TRP 2 11.438 -0.480 -2.903
17 HA TRP 2 HA TRP 2 9.435 0.958 -4.370
18 HB2 TRP 2 2HB TRP 2 10.407 -1.151 -5.227
19 HB3 TRP 2 1HB TRP 2 9.680 -2.006 -3.866
20 HD1 TRP 2 1HD TRP 2 7.300 -2.768 -4.139
21 HE1 TRP 2 1HE TRP 2 5.423 -2.456 -5.942
22 HE3 TRP 2 3HE TRP 2 9.534 0.767 -7.008
23 HZ2 TRP 2 2HZ TRP 2 5.002 -0.886 -8.239
24 HZ3 TRP 2 3HZ TRP 2 8.343 1.639 -8.977
25 HH2 TRP 2 2HH TRP 2 6.122 0.818 -9.569
26 H CYS 3 HN CYS 3 7.913 1.903 -3.399
27 HA CYS 3 HA CYS 3 6.340 0.467 -1.394
28 HB2 CYS 3 2HB CYS 3 7.169 3.377 -1.274
29 HB3 CYS 3 1HB CYS 3 6.000 2.614 -0.207
30 H PHE 4 HN PHE 4 4.232 0.646 -1.655
31 HA PHE 4 HA PHE 4 3.231 2.614 -3.507
32 HB2 PHE 4 2HB PHE 4 1.906 0.861 -4.714
33 HB3 PHE 4 1HB PHE 4 3.652 0.696 -4.872
34 HD1 PHE 4 1HD PHE 4 4.826 -1.182 -3.974
35 HD2 PHE 4 2HD PHE 4 0.637 -0.782 -3.440
36 HE1 PHE 4 1HE PHE 4 4.701 -3.535 -3.281
37 HE2 PHE 4 2HE PHE 4 0.491 -3.117 -2.733
38 HZ PHE 4 HZ PHE 4 2.533 -4.514 -2.658
39 H ARG 5 HN ARG 5 1.011 3.095 -3.161
40 HA ARG 5 HA ARG 5 0.181 2.359 -0.450
41 HB2 ARG 5 2HB ARG 5 0.638 4.784 -1.067
42 HB3 ARG 5 1HB ARG 5 -0.773 4.681 -2.107
43 HG2 ARG 5 2HG ARG 5 -2.176 4.209 -0.173
44 HG3 ARG 5 1HG ARG 5 -0.757 4.303 0.876
45 HD2 ARG 5 2HD ARG 5 -0.386 6.619 0.074
46 HD3 ARG 5 1HD ARG 5 -1.896 6.514 -0.826
47 HE ARG 5 HE ARG 5 -1.725 6.236 2.091
48 HH11 ARG 5 1HH1 ARG 5 -3.328 7.543 -0.761
49 HH12 ARG 5 2HH1 ARG 5 -4.479 8.441 0.098
50 HH21 ARG 5 1HH2 ARG 5 -3.255 7.539 3.298
51 HH22 ARG 5 2HH2 ARG 5 -4.466 8.426 2.470
52 H VAL 6 HN VAL 6 -1.431 1.013 -0.289
53 HA VAL 6 HA VAL 6 -3.134 0.520 -2.617
54 HB VAL 6 HB VAL 6 -2.539 -1.237 -0.204
55 HG11 VAL 6 1HG1 VAL 6 -3.889 -2.951 -1.277
56 HG12 VAL 6 2HG1 VAL 6 -4.273 -1.854 -2.601
57 HG13 VAL 6 3HG1 VAL 6 -4.873 -1.518 -0.977
58 HG21 VAL 6 1HG2 VAL 6 -1.526 -2.718 -1.840
59 HG22 VAL 6 2HG2 VAL 6 -0.738 -1.140 -1.795
60 HG23 VAL 6 3HG2 VAL 6 -1.849 -1.537 -3.109
61 H CYS 7 HN CYS 7 -5.186 1.129 -2.501
62 HA CYS 7 HA CYS 7 -6.286 1.665 0.150
63 HB2 CYS 7 2HB CYS 7 -7.039 2.822 -2.536
64 HB3 CYS 7 1HB CYS 7 -7.906 3.125 -1.034
65 H TYR 8 HN TYR 8 -7.822 0.446 0.814
66 HA TYR 8 HA TYR 8 -9.285 -1.215 -1.100
67 HB2 TYR 8 2HB TYR 8 -7.727 -2.556 0.204
68 HB3 TYR 8 1HB TYR 8 -8.354 -1.855 1.691
69 HD1 TYR 8 1HD TYR 8 -9.819 -3.132 2.905
70 HD2 TYR 8 2HD TYR 8 -9.642 -3.739 -1.297
71 HE1 TYR 8 1HE TYR 8 -11.408 -4.965 3.119
72 HE2 TYR 8 2HE TYR 8 -11.228 -5.588 -1.110
73 HH TYR 8 HH TYR 8 -12.100 -7.134 0.505
74 H ARG 9 HN ARG 9 -11.003 0.048 -1.280
75 HA ARG 9 HA ARG 9 -13.027 0.975 -0.870
76 HB2 ARG 9 2HB ARG 9 -13.019 -0.796 1.577
77 HB3 ARG 9 1HB ARG 9 -14.433 -0.064 0.830
78 HG2 ARG 9 2HG ARG 9 -13.929 -1.394 -1.239
79 HG3 ARG 9 1HG ARG 9 -12.655 -2.189 -0.331
80 HD2 ARG 9 2HD ARG 9 -15.589 -2.213 0.343
81 HD3 ARG 9 1HD ARG 9 -14.655 -3.551 -0.325
82 HE ARG 9 HE ARG 9 -13.753 -2.455 2.196
83 HH11 ARG 9 1HH1 ARG 9 -15.668 -5.002 0.600
84 HH12 ARG 9 2HH1 ARG 9 -15.593 -6.057 1.931
85 HH21 ARG 9 1HH2 ARG 9 -13.710 -3.915 4.028
86 HH22 ARG 9 2HH2 ARG 9 -14.517 -5.417 3.907
87 H GLY 10 HN GLY 10 -10.648 2.228 0.268
88 HA2 GLY 10 2HA GLY 10 -10.931 4.506 1.174
89 HA3 GLY 10 1HA GLY 10 -11.974 3.789 2.396
90 H ILE 11 HN ILE 11 -10.156 1.444 2.689
91 HA ILE 11 HA ILE 11 -8.417 2.648 4.638
92 HB ILE 11 HB ILE 11 -8.666 -0.281 3.812
93 HG12 ILE 11 2HG1 ILE 11 -9.719 -0.542 6.127
94 HG13 ILE 11 1HG1 ILE 11 -9.853 1.207 6.176
95 HG21 ILE 11 1HG2 ILE 11 -7.174 0.905 6.143
96 HG22 ILE 11 2HG2 ILE 11 -6.474 0.130 4.721
97 HG23 ILE 11 3HG2 ILE 11 -7.429 -0.819 5.862
98 HD11 ILE 11 1HD1 ILE 11 -11.167 -0.630 4.184
99 HD12 ILE 11 2HD1 ILE 11 -11.342 1.124 4.232
100 HD13 ILE 11 3HD1 ILE 11 -11.957 0.139 5.563
101 H CYS 12 HN CYS 12 -6.692 3.667 3.826
102 HA CYS 12 HA CYS 12 -5.220 2.342 1.672
103 HB2 CYS 12 2HB CYS 12 -5.013 5.213 2.595
104 HB3 CYS 12 1HB CYS 12 -4.168 4.477 1.237
105 H TYR 13 HN TYR 13 -3.316 1.511 2.025
106 HA TYR 13 HA TYR 13 -1.757 2.464 4.277
107 HB2 TYR 13 2HB TYR 13 -1.079 0.129 4.835
108 HB3 TYR 13 1HB TYR 13 -2.777 0.444 5.137
109 HD1 TYR 13 1HD TYR 13 -4.497 -0.646 3.775
110 HD2 TYR 13 2HD TYR 13 -0.366 -1.430 3.119
111 HE1 TYR 13 1HE TYR 13 -5.094 -2.630 2.482
112 HE2 TYR 13 2HE TYR 13 -0.945 -3.422 1.815
113 HH TYR 13 HH TYR 13 -2.770 -4.976 1.589
114 H ARG 14 HN ARG 14 0.439 2.320 4.016
115 HA ARG 14 HA ARG 14 1.272 2.202 1.238
116 HB2 ARG 14 2HB ARG 14 1.793 4.199 2.592
117 HB3 ARG 14 1HB ARG 14 2.678 3.191 3.720
118 HG2 ARG 14 2HG ARG 14 4.260 2.616 1.925
119 HG3 ARG 14 1HG ARG 14 3.387 3.708 0.843
120 HD2 ARG 14 2HD ARG 14 3.831 5.567 2.353
121 HD3 ARG 14 1HD ARG 14 4.680 4.484 3.444
122 HE ARG 14 HE ARG 14 5.573 4.889 0.693
123 HH11 ARG 14 1HH1 ARG 14 6.278 4.854 4.183
124 HH12 ARG 14 2HH1 ARG 14 7.888 5.346 4.015
125 HH21 ARG 14 1HH2 ARG 14 7.838 5.570 0.472
126 HH22 ARG 14 2HH2 ARG 14 8.785 5.781 1.864
127 H LYS 15 HN LYS 15 2.121 0.369 0.559
128 HA LYS 15 HA LYS 15 3.281 -1.438 2.538
129 HB2 LYS 15 2HB LYS 15 1.256 -2.199 1.260
130 HB3 LYS 15 1HB LYS 15 2.208 -2.085 -0.212
131 HG2 LYS 15 2HG LYS 15 3.722 -3.779 0.595
132 HG3 LYS 15 1HG LYS 15 2.861 -3.833 2.134
133 HD2 LYS 15 2HD LYS 15 0.813 -4.509 0.872
134 HD3 LYS 15 1HD LYS 15 1.814 -4.639 -0.575
135 HE2 LYS 15 2HE LYS 15 1.554 -6.823 0.452
136 HE3 LYS 15 1HE LYS 15 3.228 -6.292 0.580
137 HZ1 LYS 15 1HZ LYS 15 2.440 -7.248 2.666
138 HZ2 LYS 15 2HZ LYS 15 1.206 -6.106 2.758
139 HZ3 LYS 15 3HZ LYS 15 2.798 -5.619 2.875
140 H CYS 16 HN CYS 16 5.383 -1.898 2.333
141 HA CYS 16 HA CYS 16 6.756 -0.974 -0.086
142 HB2 CYS 16 2HB CYS 16 7.750 -1.019 2.763
143 HB3 CYS 16 1HB CYS 16 8.745 -0.641 1.363
144 H ARG 17 HN ARG 17 8.246 -2.282 -0.977
145 HA ARG 17 HA ARG 17 8.604 -4.919 0.259
146 HB2 ARG 17 2HB ARG 17 8.744 -4.236 -2.695
147 HB3 ARG 17 1HB ARG 17 9.011 -5.823 -2.004
148 HG2 ARG 17 2HG ARG 17 6.640 -5.767 -1.188
149 HG3 ARG 17 1HG ARG 17 6.430 -4.289 -2.130
150 HD2 ARG 17 2HD ARG 17 5.658 -6.112 -3.477
151 HD3 ARG 17 1HD ARG 17 7.197 -5.564 -4.141
152 HE ARG 17 HE ARG 17 7.380 -7.733 -2.251
153 HH11 ARG 17 1HH1 ARG 17 7.174 -6.918 -5.691
154 HH12 ARG 17 2HH1 ARG 17 7.721 -8.445 -6.213
155 HH21 ARG 17 1HH2 ARG 17 8.098 -9.818 -2.984
156 HH22 ARG 17 2HH2 ARG 17 8.259 -10.131 -4.643
157 HN1 NH2 18 1H ARG 17 10.431 -4.613 1.335
158 HN2 NH2 18 2H ARG 17 11.891 -3.962 0.674
Start of MODEL 12
1 H1 ARG 1 1HT ARG 1 13.466 -1.913 -3.040
2 H2 ARG 1 2HT ARG 1 12.506 -1.201 -4.235
3 H3 ARG 1 3HT ARG 1 11.805 -1.834 -2.831
4 HA ARG 1 HA ARG 1 12.903 -0.279 -1.444
5 HB2 ARG 1 2HB ARG 1 14.113 1.622 -2.388
6 HB3 ARG 1 1HB ARG 1 14.911 0.098 -2.733
7 HG2 ARG 1 2HG ARG 1 14.220 0.151 -5.007
8 HG3 ARG 1 1HG ARG 1 13.106 1.487 -4.707
9 HD2 ARG 1 2HD ARG 1 15.177 2.189 -5.830
10 HD3 ARG 1 1HD ARG 1 14.960 2.974 -4.270
11 HE ARG 1 HE ARG 1 16.767 0.713 -4.786
12 HH11 ARG 1 1HH1 ARG 1 15.932 3.648 -2.946
13 HH12 ARG 1 2HH1 ARG 1 17.409 3.708 -2.120
14 HH21 ARG 1 1HH2 ARG 1 18.837 0.852 -3.650
15 HH22 ARG 1 2HH2 ARG 1 19.097 2.116 -2.539
16 H TRP 2 HN TRP 2 10.651 -0.359 -3.952
17 HA TRP 2 HA TRP 2 9.919 2.372 -3.463
18 HB2 TRP 2 2HB TRP 2 9.035 0.468 -5.629
19 HB3 TRP 2 1HB TRP 2 8.338 2.075 -5.396
20 HD1 TRP 2 1HD TRP 2 10.285 4.132 -5.378
21 HE1 TRP 2 1HE TRP 2 12.290 4.423 -6.944
22 HE3 TRP 2 3HE TRP 2 10.632 -0.650 -7.147
23 HZ2 TRP 2 2HZ TRP 2 13.822 2.848 -8.711
24 HZ3 TRP 2 3HZ TRP 2 12.403 -1.162 -8.785
25 HH2 TRP 2 2HH TRP 2 13.956 0.550 -9.543
26 H CYS 3 HN CYS 3 8.152 3.035 -2.597
27 HA CYS 3 HA CYS 3 6.567 1.025 -1.177
28 HB2 CYS 3 2HB CYS 3 6.971 3.943 -0.569
29 HB3 CYS 3 1HB CYS 3 6.180 2.760 0.464
30 H PHE 4 HN PHE 4 4.501 0.875 -1.669
31 HA PHE 4 HA PHE 4 3.376 3.050 -3.209
32 HB2 PHE 4 2HB PHE 4 2.136 1.353 -4.541
33 HB3 PHE 4 1HB PHE 4 3.897 1.287 -4.679
34 HD1 PHE 4 1HD PHE 4 0.959 -0.430 -3.314
35 HD2 PHE 4 2HD PHE 4 5.138 -0.632 -4.055
36 HE1 PHE 4 1HE PHE 4 0.913 -2.813 -2.832
37 HE2 PHE 4 2HE PHE 4 5.115 -3.034 -3.575
38 HZ PHE 4 HZ PHE 4 3.005 -4.146 -2.966
39 H ARG 5 HN ARG 5 0.976 3.091 -3.094
40 HA ARG 5 HA ARG 5 0.194 2.305 -0.381
41 HB2 ARG 5 2HB ARG 5 0.539 4.790 -0.946
42 HB3 ARG 5 1HB ARG 5 -0.914 4.642 -1.920
43 HG2 ARG 5 2HG ARG 5 -2.182 4.011 0.067
44 HG3 ARG 5 1HG ARG 5 -0.720 4.154 1.044
45 HD2 ARG 5 2HD ARG 5 -0.550 6.538 0.257
46 HD3 ARG 5 1HD ARG 5 -2.149 6.337 -0.455
47 HE ARG 5 HE ARG 5 -1.660 5.924 2.413
48 HH11 ARG 5 1HH1 ARG 5 -3.431 7.603 -0.169
49 HH12 ARG 5 2HH1 ARG 5 -4.551 8.327 0.881
50 HH21 ARG 5 1HH2 ARG 5 -3.184 6.951 3.844
51 HH22 ARG 5 2HH2 ARG 5 -4.410 7.958 3.229
52 H VAL 6 HN VAL 6 -1.398 0.914 -0.324
53 HA VAL 6 HA VAL 6 -2.975 0.483 -2.771
54 HB VAL 6 HB VAL 6 -2.524 -1.455 -0.466
55 HG11 VAL 6 1HG1 VAL 6 -3.767 -1.889 -3.179
56 HG12 VAL 6 2HG1 VAL 6 -4.627 -1.836 -1.639
57 HG13 VAL 6 3HG1 VAL 6 -3.468 -3.128 -1.960
58 HG21 VAL 6 1HG2 VAL 6 -0.475 -1.072 -1.663
59 HG22 VAL 6 2HG2 VAL 6 -1.287 -1.398 -3.194
60 HG23 VAL 6 3HG2 VAL 6 -1.105 -2.683 -1.998
61 H CYS 7 HN CYS 7 -5.212 0.467 -2.634
62 HA CYS 7 HA CYS 7 -6.263 1.336 -0.054
63 HB2 CYS 7 2HB CYS 7 -7.100 2.207 -2.811
64 HB3 CYS 7 1HB CYS 7 -7.921 2.621 -1.307
65 H TYR 8 HN TYR 8 -7.859 0.294 0.762
66 HA TYR 8 HA TYR 8 -9.481 -1.488 -0.906
67 HB2 TYR 8 2HB TYR 8 -7.958 -2.878 0.356
68 HB3 TYR 8 1HB TYR 8 -8.316 -1.967 1.826
69 HD1 TYR 8 1HD TYR 8 -9.763 -2.928 3.334
70 HD2 TYR 8 2HD TYR 8 -10.155 -3.987 -0.768
71 HE1 TYR 8 1HE TYR 8 -11.547 -4.484 3.918
72 HE2 TYR 8 2HE TYR 8 -11.947 -5.553 -0.197
73 HH TYR 8 HH TYR 8 -12.702 -6.823 1.797
74 H ARG 9 HN ARG 9 -11.307 -0.288 -0.993
75 HA ARG 9 HA ARG 9 -13.253 0.713 -0.406
76 HB2 ARG 9 2HB ARG 9 -12.815 -0.731 2.207
77 HB3 ARG 9 1HB ARG 9 -14.313 0.044 1.730
78 HG2 ARG 9 2HG ARG 9 -14.377 -1.530 -0.236
79 HG3 ARG 9 1HG ARG 9 -13.003 -2.352 0.491
80 HD2 ARG 9 2HD ARG 9 -15.111 -3.437 1.103
81 HD3 ARG 9 1HD ARG 9 -14.262 -2.788 2.507
82 HE ARG 9 HE ARG 9 -16.074 -0.877 1.523
83 HH11 ARG 9 1HH1 ARG 9 -16.053 -3.909 3.339
84 HH12 ARG 9 2HH1 ARG 9 -17.526 -3.601 4.137
85 HH21 ARG 9 1HH2 ARG 9 -18.076 -0.439 2.634
86 HH22 ARG 9 2HH2 ARG 9 -18.714 -1.578 3.721
87 H GLY 10 HN GLY 10 -10.721 2.077 0.202
88 HA2 GLY 10 2HA GLY 10 -10.730 4.417 0.841
89 HA3 GLY 10 1HA GLY 10 -11.812 3.979 2.154
90 H ILE 11 HN ILE 11 -10.081 1.510 2.625
91 HA ILE 11 HA ILE 11 -8.270 2.789 4.444
92 HB ILE 11 HB ILE 11 -8.594 -0.161 3.745
93 HG12 ILE 11 2HG1 ILE 11 -9.467 -0.324 6.138
94 HG13 ILE 11 1HG1 ILE 11 -9.592 1.430 6.117
95 HG21 ILE 11 1HG2 ILE 11 -7.214 -0.669 5.706
96 HG22 ILE 11 2HG2 ILE 11 -6.917 1.056 5.933
97 HG23 ILE 11 3HG2 ILE 11 -6.338 0.243 4.479
98 HD11 ILE 11 1HD1 ILE 11 -11.024 -0.486 4.304
99 HD12 ILE 11 2HD1 ILE 11 -11.200 1.269 4.291
100 HD13 ILE 11 3HD1 ILE 11 -11.729 0.336 5.698
101 H CYS 12 HN CYS 12 -6.636 3.787 3.442
102 HA CYS 12 HA CYS 12 -5.241 2.277 1.393
103 HB2 CYS 12 2HB CYS 12 -5.144 5.233 2.031
104 HB3 CYS 12 1HB CYS 12 -4.233 4.437 0.756
105 H TYR 13 HN TYR 13 -3.360 1.444 1.862
106 HA TYR 13 HA TYR 13 -1.976 2.406 4.250
107 HB2 TYR 13 2HB TYR 13 -1.334 0.027 4.711
108 HB3 TYR 13 1HB TYR 13 -3.040 0.378 4.923
109 HD1 TYR 13 1HD TYR 13 -4.698 -0.671 3.516
110 HD2 TYR 13 2HD TYR 13 -0.559 -1.353 2.818
111 HE1 TYR 13 1HE TYR 13 -5.277 -2.543 2.071
112 HE2 TYR 13 2HE TYR 13 -1.119 -3.251 1.354
113 HH TYR 13 HH TYR 13 -4.313 -3.880 0.251
114 H ARG 14 HN ARG 14 0.213 2.306 4.254
115 HA ARG 14 HA ARG 14 1.487 2.407 1.686
116 HB2 ARG 14 2HB ARG 14 2.068 4.026 3.426
117 HB3 ARG 14 1HB ARG 14 2.560 2.725 4.494
118 HG2 ARG 14 2HG ARG 14 4.342 2.140 2.869
119 HG3 ARG 14 1HG ARG 14 3.901 3.566 1.931
120 HD2 ARG 14 2HD ARG 14 4.358 4.970 3.908
121 HD3 ARG 14 1HD ARG 14 4.839 3.526 4.796
122 HE ARG 14 HE ARG 14 6.216 4.220 2.323
123 HH11 ARG 14 1HH1 ARG 14 6.356 3.933 5.856
124 HH12 ARG 14 2HH1 ARG 14 8.056 4.081 5.921
125 HH21 ARG 14 1HH2 ARG 14 8.554 4.397 2.447
126 HH22 ARG 14 2HH2 ARG 14 9.320 4.324 3.964
127 H LYS 15 HN LYS 15 2.027 0.554 0.745
128 HA LYS 15 HA LYS 15 3.108 -1.581 2.422
129 HB2 LYS 15 2HB LYS 15 1.024 -2.140 1.171
130 HB3 LYS 15 1HB LYS 15 1.855 -1.758 -0.328
131 HG2 LYS 15 2HG LYS 15 3.393 -3.587 0.008
132 HG3 LYS 15 1HG LYS 15 2.671 -3.927 1.585
133 HD2 LYS 15 2HD LYS 15 0.538 -4.414 0.501
134 HD3 LYS 15 1HD LYS 15 1.261 -4.086 -1.074
135 HE2 LYS 15 2HE LYS 15 2.807 -5.932 -0.762
136 HE3 LYS 15 1HE LYS 15 2.148 -6.248 0.839
137 HZ1 LYS 15 1HZ LYS 15 0.710 -6.457 -1.733
138 HZ2 LYS 15 2HZ LYS 15 -0.010 -6.654 -0.230
139 HZ3 LYS 15 3HZ LYS 15 1.174 -7.749 -0.751
140 H CYS 16 HN CYS 16 5.264 -1.800 2.211
141 HA CYS 16 HA CYS 16 6.428 -0.847 -0.293
142 HB2 CYS 16 2HB CYS 16 6.610 0.852 1.532
143 HB3 CYS 16 1HB CYS 16 7.551 -0.311 2.453
144 H ARG 17 HN ARG 17 8.351 -1.831 -0.889
145 HA ARG 17 HA ARG 17 9.231 -4.075 0.697
146 HB2 ARG 17 2HB ARG 17 9.314 -5.536 -1.335
147 HB3 ARG 17 1HB ARG 17 7.685 -5.116 -0.842
148 HG2 ARG 17 2HG ARG 17 7.657 -3.379 -2.629
149 HG3 ARG 17 1HG ARG 17 9.236 -3.969 -3.154
150 HD2 ARG 17 2HD ARG 17 6.667 -5.551 -3.069
151 HD3 ARG 17 1HD ARG 17 7.478 -4.945 -4.509
152 HE ARG 17 HE ARG 17 9.382 -6.437 -3.415
153 HH11 ARG 17 1HH1 ARG 17 6.005 -7.134 -4.181
154 HH12 ARG 17 2HH1 ARG 17 6.220 -8.817 -4.341
155 HH21 ARG 17 1HH2 ARG 17 9.696 -8.740 -3.632
156 HH22 ARG 17 2HH2 ARG 17 8.377 -9.755 -3.985
157 HN1 NH2 18 1H ARG 17 11.150 -3.344 1.184
158 HN2 NH2 18 2H ARG 17 12.303 -2.670 0.087
Start of MODEL 13
1 H1 ARG 1 1HT ARG 1 12.563 2.945 0.292
2 H2 ARG 1 2HT ARG 1 13.657 2.747 -0.966
3 H3 ARG 1 3HT ARG 1 13.985 2.069 0.543
4 HA ARG 1 HA ARG 1 13.197 0.390 -1.044
5 HB2 ARG 1 2HB ARG 1 12.618 0.254 1.419
6 HB3 ARG 1 1HB ARG 1 11.098 1.049 1.045
7 HG2 ARG 1 2HG ARG 1 10.608 -1.243 1.203
8 HG3 ARG 1 1HG ARG 1 10.634 -0.889 -0.526
9 HD2 ARG 1 2HD ARG 1 11.808 -2.959 -0.119
10 HD3 ARG 1 1HD ARG 1 12.974 -1.725 -0.602
11 HE ARG 1 HE ARG 1 12.653 -1.871 2.221
12 HH11 ARG 1 1HH1 ARG 1 14.388 -3.372 -0.477
13 HH12 ARG 1 2HH1 ARG 1 15.614 -4.012 0.510
14 HH21 ARG 1 1HH2 ARG 1 14.305 -2.763 3.542
15 HH22 ARG 1 2HH2 ARG 1 15.568 -3.672 2.857
16 H TRP 2 HN TRP 2 11.672 -0.142 -2.684
17 HA TRP 2 HA TRP 2 10.080 2.071 -3.530
18 HB2 TRP 2 2HB TRP 2 10.538 -0.673 -4.719
19 HB3 TRP 2 1HB TRP 2 9.381 0.469 -5.396
20 HD1 TRP 2 1HD TRP 2 10.390 2.773 -6.395
21 HE1 TRP 2 1HE TRP 2 12.674 3.303 -7.423
22 HE3 TRP 2 3HE TRP 2 13.018 -1.243 -4.653
23 HZ2 TRP 2 2HZ TRP 2 15.262 2.158 -7.495
24 HZ3 TRP 2 3HZ TRP 2 15.376 -1.454 -5.243
25 HH2 TRP 2 2HH TRP 2 16.478 0.209 -6.634
26 H CYS 3 HN CYS 3 8.181 2.471 -2.878
27 HA CYS 3 HA CYS 3 6.555 0.289 -1.772
28 HB2 CYS 3 2HB CYS 3 6.716 3.139 -0.780
29 HB3 CYS 3 1HB CYS 3 5.747 1.845 -0.088
30 H PHE 4 HN PHE 4 4.292 0.591 -1.919
31 HA PHE 4 HA PHE 4 3.375 2.602 -3.798
32 HB2 PHE 4 2HB PHE 4 2.059 0.838 -5.015
33 HB3 PHE 4 1HB PHE 4 3.804 0.655 -5.161
34 HD1 PHE 4 1HD PHE 4 4.954 -1.242 -4.222
35 HD2 PHE 4 2HD PHE 4 0.756 -0.785 -3.730
36 HE1 PHE 4 1HE PHE 4 4.790 -3.575 -3.491
37 HE2 PHE 4 2HE PHE 4 0.581 -3.108 -2.985
38 HZ PHE 4 HZ PHE 4 2.607 -4.524 -2.866
39 H ARG 5 HN ARG 5 1.100 3.071 -3.501
40 HA ARG 5 HA ARG 5 0.292 2.261 -0.811
41 HB2 ARG 5 2HB ARG 5 0.655 4.729 -1.388
42 HB3 ARG 5 1HB ARG 5 -0.817 4.612 -2.342
43 HG2 ARG 5 2HG ARG 5 -2.104 4.075 -0.387
44 HG3 ARG 5 1HG ARG 5 -0.645 3.984 0.596
45 HD2 ARG 5 2HD ARG 5 -0.234 6.394 0.014
46 HD3 ARG 5 1HD ARG 5 -1.846 6.421 -0.699
47 HE ARG 5 HE ARG 5 -1.835 5.445 1.993
48 HH11 ARG 5 1HH1 ARG 5 -1.843 8.422 0.083
49 HH12 ARG 5 2HH1 ARG 5 -2.533 9.359 1.335
50 HH21 ARG 5 1HH2 ARG 5 -2.776 6.726 3.665
51 HH22 ARG 5 2HH2 ARG 5 -3.044 8.380 3.425
52 H VAL 6 HN VAL 6 -1.456 1.134 -0.468
53 HA VAL 6 HA VAL 6 -3.133 0.453 -2.785
54 HB VAL 6 HB VAL 6 -2.357 -1.226 -0.365
55 HG11 VAL 6 1HG1 VAL 6 -3.701 -3.034 -1.327
56 HG12 VAL 6 2HG1 VAL 6 -4.267 -1.946 -2.595
57 HG13 VAL 6 3HG1 VAL 6 -4.712 -1.648 -0.916
58 HG21 VAL 6 1HG2 VAL 6 -0.674 -1.126 -2.087
59 HG22 VAL 6 2HG2 VAL 6 -1.862 -1.597 -3.302
60 HG23 VAL 6 3HG2 VAL 6 -1.408 -2.727 -2.026
61 H CYS 7 HN CYS 7 -5.300 0.661 -2.564
62 HA CYS 7 HA CYS 7 -6.295 1.650 0.005
63 HB2 CYS 7 2HB CYS 7 -7.358 2.042 -2.795
64 HB3 CYS 7 1HB CYS 7 -8.164 2.581 -1.326
65 H TYR 8 HN TYR 8 -7.606 0.435 1.048
66 HA TYR 8 HA TYR 8 -9.015 -1.696 -0.378
67 HB2 TYR 8 2HB TYR 8 -7.164 -2.621 0.934
68 HB3 TYR 8 1HB TYR 8 -7.750 -1.770 2.360
69 HD1 TYR 8 1HD TYR 8 -9.424 -2.703 3.733
70 HD2 TYR 8 2HD TYR 8 -8.561 -4.499 -0.028
71 HE1 TYR 8 1HE TYR 8 -10.793 -4.618 4.348
72 HE2 TYR 8 2HE TYR 8 -9.934 -6.436 0.583
73 HH TYR 8 HH TYR 8 -11.998 -6.441 3.338
74 H ARG 9 HN ARG 9 -10.939 -0.686 -0.517
75 HA ARG 9 HA ARG 9 -13.002 0.034 0.075
76 HB2 ARG 9 2HB ARG 9 -12.299 -1.464 2.600
77 HB3 ARG 9 1HB ARG 9 -13.900 -0.830 2.255
78 HG2 ARG 9 2HG ARG 9 -12.456 -2.866 0.559
79 HG3 ARG 9 1HG ARG 9 -13.668 -3.255 1.778
80 HD2 ARG 9 2HD ARG 9 -15.292 -1.844 0.535
81 HD3 ARG 9 1HD ARG 9 -14.078 -1.614 -0.720
82 HE ARG 9 HE ARG 9 -14.246 -4.291 -0.514
83 HH11 ARG 9 1HH1 ARG 9 -16.702 -1.780 -0.975
84 HH12 ARG 9 2HH1 ARG 9 -17.769 -2.768 -1.850
85 HH21 ARG 9 1HH2 ARG 9 -15.734 -5.658 -1.748
86 HH22 ARG 9 2HH2 ARG 9 -17.200 -5.021 -2.317
87 H GLY 10 HN GLY 10 -10.748 1.790 0.616
88 HA2 GLY 10 2HA GLY 10 -11.280 4.122 1.234
89 HA3 GLY 10 1HA GLY 10 -11.990 3.474 2.705
90 H ILE 11 HN ILE 11 -9.805 1.526 3.042
91 HA ILE 11 HA ILE 11 -8.038 3.318 4.453
92 HB ILE 11 HB ILE 11 -7.948 0.272 4.314
93 HG12 ILE 11 2HG1 ILE 11 -8.771 0.426 6.741
94 HG13 ILE 11 1HG1 ILE 11 -9.203 2.089 6.391
95 HG21 ILE 11 1HG2 ILE 11 -5.794 1.224 4.889
96 HG22 ILE 11 2HG2 ILE 11 -6.488 0.374 6.266
97 HG23 ILE 11 3HG2 ILE 11 -6.528 2.137 6.208
98 HD11 ILE 11 1HD1 ILE 11 -11.123 0.586 6.267
99 HD12 ILE 11 2HD1 ILE 11 -10.308 -0.349 5.009
100 HD13 ILE 11 3HD1 ILE 11 -10.782 1.320 4.699
101 H CYS 12 HN CYS 12 -6.585 4.280 3.173
102 HA CYS 12 HA CYS 12 -5.177 2.633 1.199
103 HB2 CYS 12 2HB CYS 12 -5.155 5.638 1.491
104 HB3 CYS 12 1HB CYS 12 -4.395 4.681 0.219
105 H TYR 13 HN TYR 13 -3.407 1.778 1.827
106 HA TYR 13 HA TYR 13 -1.761 3.246 3.740
107 HB2 TYR 13 2HB TYR 13 -1.116 1.088 4.760
108 HB3 TYR 13 1HB TYR 13 -2.822 1.469 4.938
109 HD1 TYR 13 1HD TYR 13 -0.389 -0.792 3.399
110 HD2 TYR 13 2HD TYR 13 -4.519 0.140 3.778
111 HE1 TYR 13 1HE TYR 13 -0.967 -3.000 2.510
112 HE2 TYR 13 2HE TYR 13 -5.112 -2.048 2.900
113 HH TYR 13 HH TYR 13 -2.973 -4.541 2.751
114 H ARG 14 HN ARG 14 0.431 3.060 3.514
115 HA ARG 14 HA ARG 14 1.333 2.387 0.866
116 HB2 ARG 14 2HB ARG 14 2.180 4.400 1.955
117 HB3 ARG 14 1HB ARG 14 2.822 3.432 3.274
118 HG2 ARG 14 2HG ARG 14 4.375 2.355 1.742
119 HG3 ARG 14 1HG ARG 14 3.725 3.309 0.406
120 HD2 ARG 14 2HD ARG 14 5.798 4.265 1.258
121 HD3 ARG 14 1HD ARG 14 4.442 5.359 1.508
122 HE ARG 14 HE ARG 14 4.900 3.712 3.786
123 HH11 ARG 14 1HH1 ARG 14 6.127 6.580 2.140
124 HH12 ARG 14 2HH1 ARG 14 6.786 7.280 3.552
125 HH21 ARG 14 1HH2 ARG 14 5.750 4.661 5.701
126 HH22 ARG 14 2HH2 ARG 14 6.538 6.178 5.628
127 H LYS 15 HN LYS 15 2.117 0.504 0.298
128 HA LYS 15 HA LYS 15 2.997 -1.338 2.400
129 HB2 LYS 15 2HB LYS 15 0.912 -1.882 1.004
130 HB3 LYS 15 1HB LYS 15 2.001 -2.042 -0.363
131 HG2 LYS 15 2HG LYS 15 3.200 -3.819 0.804
132 HG3 LYS 15 1HG LYS 15 2.081 -3.672 2.161
133 HD2 LYS 15 2HD LYS 15 0.219 -4.157 0.547
134 HD3 LYS 15 1HD LYS 15 1.454 -4.520 -0.661
135 HE2 LYS 15 2HE LYS 15 1.036 -5.924 1.977
136 HE3 LYS 15 1HE LYS 15 0.677 -6.558 0.377
137 HZ1 LYS 15 1HZ LYS 15 3.387 -5.912 1.428
138 HZ2 LYS 15 2HZ LYS 15 3.060 -6.478 -0.125
139 HZ3 LYS 15 3HZ LYS 15 2.729 -7.443 1.205
140 H CYS 16 HN CYS 16 5.050 -2.207 2.095
141 HA CYS 16 HA CYS 16 6.478 -1.138 -0.224
142 HB2 CYS 16 2HB CYS 16 7.511 -1.692 2.552
143 HB3 CYS 16 1HB CYS 16 8.505 -1.177 1.190
144 H ARG 17 HN ARG 17 7.664 -2.457 -1.456
145 HA ARG 17 HA ARG 17 7.854 -5.264 -0.667
146 HB2 ARG 17 2HB ARG 17 5.903 -5.043 -2.102
147 HB3 ARG 17 1HB ARG 17 6.849 -4.163 -3.289
148 HG2 ARG 17 2HG ARG 17 8.161 -6.165 -3.743
149 HG3 ARG 17 1HG ARG 17 7.234 -7.053 -2.532
150 HD2 ARG 17 2HD ARG 17 6.416 -7.478 -4.804
151 HD3 ARG 17 1HD ARG 17 5.201 -6.708 -3.788
152 HE ARG 17 HE ARG 17 6.757 -4.861 -5.340
153 HH11 ARG 17 1HH1 ARG 17 3.864 -6.886 -5.310
154 HH12 ARG 17 2HH1 ARG 17 3.070 -5.995 -6.522
155 HH21 ARG 17 1HH2 ARG 17 5.678 -3.651 -6.976
156 HH22 ARG 17 2HH2 ARG 17 4.104 -4.102 -7.484
157 HN1 NH2 18 1H ARG 17 9.992 -5.185 -0.347
158 HN2 NH2 18 2H ARG 17 11.166 -4.773 -1.542
Start of MODEL 14
1 H1 ARG 1 1HT ARG 1 12.425 -0.985 -0.918
2 H2 ARG 1 2HT ARG 1 11.922 -0.261 0.505
3 H3 ARG 1 3HT ARG 1 13.566 -0.416 0.191
4 HA ARG 1 HA ARG 1 12.792 1.826 -0.106
5 HB2 ARG 1 2HB ARG 1 13.762 0.332 -2.511
6 HB3 ARG 1 1HB ARG 1 13.439 2.051 -2.598
7 HG2 ARG 1 2HG ARG 1 15.069 2.437 -0.820
8 HG3 ARG 1 1HG ARG 1 15.400 0.702 -0.757
9 HD2 ARG 1 2HD ARG 1 17.032 1.998 -2.106
10 HD3 ARG 1 1HD ARG 1 16.218 0.718 -3.010
11 HE ARG 1 HE ARG 1 14.842 3.170 -3.279
12 HH11 ARG 1 1HH1 ARG 1 17.869 1.702 -4.304
13 HH12 ARG 1 2HH1 ARG 1 17.888 2.397 -5.841
14 HH21 ARG 1 1HH2 ARG 1 14.820 4.165 -5.400
15 HH22 ARG 1 2HH2 ARG 1 16.103 3.874 -6.479
16 H TRP 2 HN TRP 2 11.507 -0.096 -2.834
17 HA TRP 2 HA TRP 2 9.717 1.943 -3.583
18 HB2 TRP 2 2HB TRP 2 10.645 0.325 -5.176
19 HB3 TRP 2 1HB TRP 2 9.735 -0.958 -4.383
20 HD1 TRP 2 1HD TRP 2 7.330 -1.290 -5.097
21 HE1 TRP 2 1HE TRP 2 5.700 -0.114 -6.779
22 HE3 TRP 2 3HE TRP 2 10.117 2.827 -6.138
23 HZ2 TRP 2 2HZ TRP 2 5.657 2.259 -8.292
24 HZ3 TRP 2 3HZ TRP 2 9.228 4.510 -7.698
25 HH2 TRP 2 2HH TRP 2 7.043 4.222 -8.750
26 H CYS 3 HN CYS 3 8.035 2.531 -2.654
27 HA CYS 3 HA CYS 3 6.249 0.545 -1.494
28 HB2 CYS 3 2HB CYS 3 6.769 3.319 -0.391
29 HB3 CYS 3 1HB CYS 3 5.694 2.094 0.270
30 H PHE 4 HN PHE 4 4.182 0.812 -1.942
31 HA PHE 4 HA PHE 4 3.451 3.056 -3.631
32 HB2 PHE 4 2HB PHE 4 2.169 1.406 -5.068
33 HB3 PHE 4 1HB PHE 4 3.930 1.311 -5.146
34 HD1 PHE 4 1HD PHE 4 5.080 -0.661 -4.629
35 HD2 PHE 4 2HD PHE 4 0.944 -0.335 -3.732
36 HE1 PHE 4 1HE PHE 4 5.006 -3.067 -4.128
37 HE2 PHE 4 2HE PHE 4 0.848 -2.711 -3.215
38 HZ PHE 4 HZ PHE 4 2.887 -4.107 -3.418
39 H ARG 5 HN ARG 5 1.183 3.507 -3.619
40 HA ARG 5 HA ARG 5 0.075 3.028 -0.978
41 HB2 ARG 5 2HB ARG 5 0.232 5.301 -2.099
42 HB3 ARG 5 1HB ARG 5 -1.028 4.747 -3.188
43 HG2 ARG 5 2HG ARG 5 -2.548 4.475 -1.303
44 HG3 ARG 5 1HG ARG 5 -1.290 5.068 -0.213
45 HD2 ARG 5 2HD ARG 5 -1.195 7.167 -1.520
46 HD3 ARG 5 1HD ARG 5 -2.523 6.578 -2.515
47 HE ARG 5 HE ARG 5 -2.774 6.994 0.383
48 HH11 ARG 5 1HH1 ARG 5 -4.042 7.472 -2.911
49 HH12 ARG 5 2HH1 ARG 5 -5.398 8.336 -2.389
50 HH21 ARG 5 1HH2 ARG 5 -4.693 8.183 1.060
51 HH22 ARG 5 2HH2 ARG 5 -5.798 8.720 -0.097
52 H VAL 6 HN VAL 6 -1.400 1.516 -0.624
53 HA VAL 6 HA VAL 6 -3.042 0.550 -2.865
54 HB VAL 6 HB VAL 6 -2.085 -1.020 -0.424
55 HG11 VAL 6 1HG1 VAL 6 -3.195 -2.956 -1.430
56 HG12 VAL 6 2HG1 VAL 6 -3.828 -1.932 -2.717
57 HG13 VAL 6 3HG1 VAL 6 -4.359 -1.686 -1.054
58 HG21 VAL 6 1HG2 VAL 6 -1.452 -1.337 -3.338
59 HG22 VAL 6 2HG2 VAL 6 -0.940 -2.413 -2.038
60 HG23 VAL 6 3HG2 VAL 6 -0.367 -0.745 -2.078
61 H CYS 7 HN CYS 7 -5.185 0.691 -2.580
62 HA CYS 7 HA CYS 7 -6.126 1.552 0.052
63 HB2 CYS 7 2HB CYS 7 -7.368 1.960 -2.676
64 HB3 CYS 7 1HB CYS 7 -8.052 2.498 -1.146
65 H TYR 8 HN TYR 8 -7.365 0.308 1.135
66 HA TYR 8 HA TYR 8 -8.697 -1.942 -0.195
67 HB2 TYR 8 2HB TYR 8 -6.783 -2.675 1.197
68 HB3 TYR 8 1HB TYR 8 -7.472 -1.799 2.562
69 HD1 TYR 8 1HD TYR 8 -7.902 -4.740 0.356
70 HD2 TYR 8 2HD TYR 8 -9.222 -2.761 3.887
71 HE1 TYR 8 1HE TYR 8 -9.149 -6.747 1.016
72 HE2 TYR 8 2HE TYR 8 -10.467 -4.758 4.548
73 HH TYR 8 HH TYR 8 -10.035 -7.768 3.064
74 H ARG 9 HN ARG 9 -10.710 -1.055 -0.366
75 HA ARG 9 HA ARG 9 -12.818 -0.471 0.211
76 HB2 ARG 9 2HB ARG 9 -12.015 -1.464 2.951
77 HB3 ARG 9 1HB ARG 9 -13.660 -1.171 2.417
78 HG2 ARG 9 2HG ARG 9 -11.784 -3.244 1.276
79 HG3 ARG 9 1HG ARG 9 -13.086 -3.556 2.418
80 HD2 ARG 9 2HD ARG 9 -13.394 -2.488 -0.392
81 HD3 ARG 9 1HD ARG 9 -13.747 -4.127 0.147
82 HE ARG 9 HE ARG 9 -15.169 -1.981 1.487
83 HH11 ARG 9 1HH1 ARG 9 -15.303 -4.491 -1.009
84 HH12 ARG 9 2HH1 ARG 9 -17.006 -4.486 -1.102
85 HH21 ARG 9 1HH2 ARG 9 -17.471 -1.985 1.354
86 HH22 ARG 9 2HH2 ARG 9 -18.278 -3.022 0.275
87 H GLY 10 HN GLY 10 -10.547 1.452 0.666
88 HA2 GLY 10 2HA GLY 10 -11.188 3.811 1.056
89 HA3 GLY 10 1HA GLY 10 -11.933 3.255 2.548
90 H ILE 11 HN ILE 11 -9.688 1.387 3.081
91 HA ILE 11 HA ILE 11 -8.011 3.314 4.413
92 HB ILE 11 HB ILE 11 -7.796 0.275 4.385
93 HG12 ILE 11 2HG1 ILE 11 -8.564 0.486 6.808
94 HG13 ILE 11 1HG1 ILE 11 -9.032 2.137 6.428
95 HG21 ILE 11 1HG2 ILE 11 -6.361 2.251 6.149
96 HG22 ILE 11 2HG2 ILE 11 -5.655 1.284 4.855
97 HG23 ILE 11 3HG2 ILE 11 -6.290 0.492 6.297
98 HD11 ILE 11 1HD1 ILE 11 -10.109 -0.357 5.141
99 HD12 ILE 11 2HD1 ILE 11 -10.618 1.294 4.781
100 HD13 ILE 11 3HD1 ILE 11 -10.913 0.606 6.383
101 H CYS 12 HN CYS 12 -6.610 4.315 3.121
102 HA CYS 12 HA CYS 12 -5.138 2.696 1.195
103 HB2 CYS 12 2HB CYS 12 -5.210 5.703 1.490
104 HB3 CYS 12 1HB CYS 12 -4.387 4.783 0.233
105 H TYR 13 HN TYR 13 -3.392 1.885 1.871
106 HA TYR 13 HA TYR 13 -1.747 3.353 3.801
107 HB2 TYR 13 2HB TYR 13 -0.973 1.103 4.614
108 HB3 TYR 13 1HB TYR 13 -2.664 1.437 4.951
109 HD1 TYR 13 1HD TYR 13 -0.321 -0.747 3.178
110 HD2 TYR 13 2HD TYR 13 -4.430 0.261 3.667
111 HE1 TYR 13 1HE TYR 13 -0.966 -2.862 2.139
112 HE2 TYR 13 2HE TYR 13 -5.083 -1.832 2.640
113 HH TYR 13 HH TYR 13 -2.984 -4.378 2.227
114 H ARG 14 HN ARG 14 0.581 2.790 3.588
115 HA ARG 14 HA ARG 14 1.088 2.442 0.746
116 HB2 ARG 14 2HB ARG 14 1.827 4.580 1.947
117 HB3 ARG 14 1HB ARG 14 3.041 3.579 2.735
118 HG2 ARG 14 2HG ARG 14 3.971 2.973 0.595
119 HG3 ARG 14 1HG ARG 14 2.733 3.911 -0.231
120 HD2 ARG 14 2HD ARG 14 3.573 5.946 0.908
121 HD3 ARG 14 1HD ARG 14 4.876 4.976 1.599
122 HE ARG 14 HE ARG 14 4.565 4.933 -1.279
123 HH11 ARG 14 1HH1 ARG 14 6.318 6.321 1.452
124 HH12 ARG 14 2HH1 ARG 14 7.666 6.792 0.535
125 HH21 ARG 14 1HH2 ARG 14 6.430 5.577 -2.551
126 HH22 ARG 14 2HH2 ARG 14 7.729 6.353 -1.802
127 H LYS 15 HN LYS 15 1.756 0.596 0.159
128 HA LYS 15 HA LYS 15 2.814 -1.283 2.119
129 HB2 LYS 15 2HB LYS 15 0.813 -1.903 0.805
130 HB3 LYS 15 1HB LYS 15 1.723 -1.675 -0.676
131 HG2 LYS 15 2HG LYS 15 3.169 -3.527 -0.105
132 HG3 LYS 15 1HG LYS 15 2.338 -3.709 1.441
133 HD2 LYS 15 2HD LYS 15 0.252 -4.215 0.266
134 HD3 LYS 15 1HD LYS 15 1.075 -4.017 -1.281
135 HE2 LYS 15 2HE LYS 15 0.858 -6.376 -0.700
136 HE3 LYS 15 1HE LYS 15 2.549 -5.885 -0.741
137 HZ1 LYS 15 1HZ LYS 15 2.519 -5.751 1.684
138 HZ2 LYS 15 2HZ LYS 15 2.049 -7.284 1.165
139 HZ3 LYS 15 3HZ LYS 15 0.899 -6.189 1.710
140 H CYS 16 HN CYS 16 4.830 -2.215 1.814
141 HA CYS 16 HA CYS 16 6.438 -0.974 -0.298
142 HB2 CYS 16 2HB CYS 16 7.267 -1.871 2.462
143 HB3 CYS 16 1HB CYS 16 8.365 -1.247 1.233
144 H ARG 17 HN ARG 17 8.021 -2.219 -1.302
145 HA ARG 17 HA ARG 17 7.276 -5.027 -1.495
146 HB2 ARG 17 2HB ARG 17 7.772 -3.332 -3.451
147 HB3 ARG 17 1HB ARG 17 9.452 -3.672 -3.086
148 HG2 ARG 17 2HG ARG 17 7.389 -5.708 -3.947
149 HG3 ARG 17 1HG ARG 17 8.615 -4.992 -4.978
150 HD2 ARG 17 2HD ARG 17 10.362 -6.043 -3.610
151 HD3 ARG 17 1HD ARG 17 9.127 -6.746 -2.568
152 HE ARG 17 HE ARG 17 9.072 -7.323 -5.422
153 HH11 ARG 17 1HH1 ARG 17 9.569 -8.557 -2.124
154 HH12 ARG 17 2HH1 ARG 17 9.592 -10.181 -2.608
155 HH21 ARG 17 1HH2 ARG 17 9.063 -9.528 -6.039
156 HH22 ARG 17 2HH2 ARG 17 9.274 -10.768 -4.894
157 HN1 NH2 18 1H ARG 17 8.101 -5.829 0.417
158 HN2 NH2 18 2H ARG 17 9.780 -5.894 0.808
Start of MODEL 15
1 H1 ARG 1 1HT ARG 1 14.766 0.514 -1.161
2 H2 ARG 1 2HT ARG 1 13.374 1.299 -0.562
3 H3 ARG 1 3HT ARG 1 14.146 1.877 -1.930
4 HA ARG 1 HA ARG 1 13.555 0.034 -3.203
5 HB2 ARG 1 2HB ARG 1 12.051 -0.875 -0.725
6 HB3 ARG 1 1HB ARG 1 11.918 -1.600 -2.309
7 HG2 ARG 1 2HG ARG 1 14.453 -1.524 -0.695
8 HG3 ARG 1 1HG ARG 1 13.320 -2.872 -0.710
9 HD2 ARG 1 2HD ARG 1 13.691 -3.115 -3.137
10 HD3 ARG 1 1HD ARG 1 14.843 -1.786 -3.077
11 HE ARG 1 HE ARG 1 15.578 -3.701 -1.194
12 HH11 ARG 1 1HH1 ARG 1 15.526 -3.310 -4.728
13 HH12 ARG 1 2HH1 ARG 1 16.797 -4.411 -4.984
14 HH21 ARG 1 1HH2 ARG 1 17.286 -5.202 -1.584
15 HH22 ARG 1 2HH2 ARG 1 17.824 -5.500 -3.182
16 H TRP 2 HN TRP 2 11.346 -0.125 -4.138
17 HA TRP 2 HA TRP 2 10.046 2.409 -3.850
18 HB2 TRP 2 2HB TRP 2 9.362 0.060 -5.625
19 HB3 TRP 2 1HB TRP 2 8.606 1.652 -5.702
20 HD1 TRP 2 1HD TRP 2 10.433 3.729 -6.217
21 HE1 TRP 2 1HE TRP 2 12.380 3.737 -7.878
22 HE3 TRP 2 3HE TRP 2 10.961 -1.313 -6.823
23 HZ2 TRP 2 2HZ TRP 2 13.941 1.829 -9.284
24 HZ3 TRP 2 3HZ TRP 2 12.700 -2.136 -8.353
25 HH2 TRP 2 2HH TRP 2 14.153 -0.595 -9.556
26 H CYS 3 HN CYS 3 8.098 2.841 -3.024
27 HA CYS 3 HA CYS 3 6.696 0.649 -1.661
28 HB2 CYS 3 2HB CYS 3 6.942 3.513 -0.686
29 HB3 CYS 3 1HB CYS 3 6.231 2.161 0.183
30 H PHE 4 HN PHE 4 4.392 0.826 -1.697
31 HA PHE 4 HA PHE 4 3.369 2.822 -3.569
32 HB2 PHE 4 2HB PHE 4 2.014 0.958 -4.627
33 HB3 PHE 4 1HB PHE 4 3.753 0.893 -4.905
34 HD1 PHE 4 1HD PHE 4 5.092 -0.908 -4.080
35 HD2 PHE 4 2HD PHE 4 0.962 -0.669 -3.112
36 HE1 PHE 4 1HE PHE 4 5.165 -3.209 -3.233
37 HE2 PHE 4 2HE PHE 4 1.019 -2.961 -2.254
38 HZ PHE 4 HZ PHE 4 3.132 -4.245 -2.313
39 H ARG 5 HN ARG 5 0.972 2.997 -3.455
40 HA ARG 5 HA ARG 5 0.090 2.432 -0.711
41 HB2 ARG 5 2HB ARG 5 0.425 4.869 -1.445
42 HB3 ARG 5 1HB ARG 5 -0.972 4.627 -2.483
43 HG2 ARG 5 2HG ARG 5 -2.349 4.122 -0.541
44 HG3 ARG 5 1HG ARG 5 -0.949 4.324 0.512
45 HD2 ARG 5 2HD ARG 5 -0.759 6.676 -0.377
46 HD3 ARG 5 1HD ARG 5 -2.315 6.432 -1.160
47 HE ARG 5 HE ARG 5 -2.064 5.974 1.698
48 HH11 ARG 5 1HH1 ARG 5 -3.423 7.978 -0.896
49 HH12 ARG 5 2HH1 ARG 5 -4.449 8.851 0.142
50 HH21 ARG 5 1HH2 ARG 5 -3.498 7.213 3.119
51 HH22 ARG 5 2HH2 ARG 5 -4.504 8.402 2.457
52 H VAL 6 HN VAL 6 -1.557 1.103 -0.520
53 HA VAL 6 HA VAL 6 -3.166 0.495 -2.904
54 HB VAL 6 HB VAL 6 -2.591 -1.281 -0.497
55 HG11 VAL 6 1HG1 VAL 6 -3.692 -3.057 -1.767
56 HG12 VAL 6 2HG1 VAL 6 -4.083 -1.902 -3.040
57 HG13 VAL 6 3HG1 VAL 6 -4.799 -1.720 -1.437
58 HG21 VAL 6 1HG2 VAL 6 -0.640 -1.067 -1.879
59 HG22 VAL 6 2HG2 VAL 6 -1.576 -1.453 -3.323
60 HG23 VAL 6 3HG2 VAL 6 -1.332 -2.678 -2.075
61 H CYS 7 HN CYS 7 -5.337 0.788 -2.736
62 HA CYS 7 HA CYS 7 -6.339 1.556 -0.103
63 HB2 CYS 7 2HB CYS 7 -7.148 2.587 -2.825
64 HB3 CYS 7 1HB CYS 7 -8.013 2.934 -1.331
65 H TYR 8 HN TYR 8 -7.890 0.446 0.697
66 HA TYR 8 HA TYR 8 -9.566 -1.215 -1.033
67 HB2 TYR 8 2HB TYR 8 -7.860 -2.668 -0.027
68 HB3 TYR 8 1HB TYR 8 -8.249 -1.998 1.560
69 HD1 TYR 8 1HD TYR 8 -9.762 -3.955 -1.251
70 HD2 TYR 8 2HD TYR 8 -9.857 -3.054 2.910
71 HE1 TYR 8 1HE TYR 8 -11.435 -5.715 -0.911
72 HE2 TYR 8 2HE TYR 8 -11.527 -4.805 3.263
73 HH TYR 8 HH TYR 8 -13.215 -6.034 2.004
74 H ARG 9 HN ARG 9 -11.355 -0.008 -0.833
75 HA ARG 9 HA ARG 9 -13.359 0.694 0.018
76 HB2 ARG 9 2HB ARG 9 -12.588 -0.996 2.403
77 HB3 ARG 9 1HB ARG 9 -14.189 -0.346 2.109
78 HG2 ARG 9 2HG ARG 9 -12.736 -2.387 0.433
79 HG3 ARG 9 1HG ARG 9 -14.115 -2.677 1.495
80 HD2 ARG 9 2HD ARG 9 -15.483 -1.200 0.106
81 HD3 ARG 9 1HD ARG 9 -14.102 -0.929 -0.953
82 HE ARG 9 HE ARG 9 -14.789 -3.682 -0.635
83 HH11 ARG 9 1HH1 ARG 9 -15.327 -0.755 -2.560
84 HH12 ARG 9 2HH1 ARG 9 -16.064 -1.589 -3.856
85 HH21 ARG 9 1HH2 ARG 9 -15.782 -4.795 -2.435
86 HH22 ARG 9 2HH2 ARG 9 -16.326 -3.908 -3.785
87 H GLY 10 HN GLY 10 -10.830 2.138 0.661
88 HA2 GLY 10 2HA GLY 10 -10.960 4.401 1.562
89 HA3 GLY 10 1HA GLY 10 -11.911 3.743 2.890
90 H ILE 11 HN ILE 11 -9.981 1.349 2.854
91 HA ILE 11 HA ILE 11 -8.092 2.494 4.688
92 HB ILE 11 HB ILE 11 -8.397 -0.382 3.710
93 HG12 ILE 11 2HG1 ILE 11 -9.101 -0.825 6.113
94 HG13 ILE 11 1HG1 ILE 11 -9.269 0.915 6.306
95 HG21 ILE 11 1HG2 ILE 11 -6.596 0.679 5.864
96 HG22 ILE 11 2HG2 ILE 11 -6.117 -0.007 4.317
97 HG23 ILE 11 3HG2 ILE 11 -6.885 -1.030 5.534
98 HD11 ILE 11 1HD1 ILE 11 -10.771 -0.827 4.379
99 HD12 ILE 11 2HD1 ILE 11 -10.987 0.912 4.575
100 HD13 ILE 11 3HD1 ILE 11 -11.404 -0.185 5.899
101 H CYS 12 HN CYS 12 -6.643 3.674 3.590
102 HA CYS 12 HA CYS 12 -5.302 2.365 1.369
103 HB2 CYS 12 2HB CYS 12 -5.239 5.261 2.247
104 HB3 CYS 12 1HB CYS 12 -4.307 4.582 0.915
105 H TYR 13 HN TYR 13 -3.459 1.454 1.768
106 HA TYR 13 HA TYR 13 -1.912 2.438 4.036
107 HB2 TYR 13 2HB TYR 13 -1.241 0.101 4.533
108 HB3 TYR 13 1HB TYR 13 -2.962 0.369 4.747
109 HD1 TYR 13 1HD TYR 13 -4.579 -0.649 3.128
110 HD2 TYR 13 2HD TYR 13 -0.407 -1.445 2.907
111 HE1 TYR 13 1HE TYR 13 -5.042 -2.610 1.742
112 HE2 TYR 13 2HE TYR 13 -0.850 -3.405 1.511
113 HH TYR 13 HH TYR 13 -3.856 -4.092 0.082
114 H ARG 14 HN ARG 14 0.240 2.595 3.728
115 HA ARG 14 HA ARG 14 1.133 2.225 1.000
116 HB2 ARG 14 2HB ARG 14 1.705 4.343 2.173
117 HB3 ARG 14 1HB ARG 14 2.591 3.404 3.369
118 HG2 ARG 14 2HG ARG 14 4.110 2.610 1.610
119 HG3 ARG 14 1HG ARG 14 3.247 3.596 0.435
120 HD2 ARG 14 2HD ARG 14 5.271 4.702 1.153
121 HD3 ARG 14 1HD ARG 14 3.865 5.614 1.698
122 HE ARG 14 HE ARG 14 4.427 4.062 3.816
123 HH11 ARG 14 1HH1 ARG 14 6.491 6.168 1.862
124 HH12 ARG 14 2HH1 ARG 14 7.524 6.601 3.136
125 HH21 ARG 14 1HH2 ARG 14 5.820 4.669 5.594
126 HH22 ARG 14 2HH2 ARG 14 7.110 5.751 5.330
127 H LYS 15 HN LYS 15 1.855 0.355 0.495
128 HA LYS 15 HA LYS 15 3.139 -1.275 2.546
129 HB2 LYS 15 2HB LYS 15 1.105 -2.200 1.361
130 HB3 LYS 15 1HB LYS 15 2.030 -2.146 -0.130
131 HG2 LYS 15 2HG LYS 15 3.662 -3.702 0.824
132 HG3 LYS 15 1HG LYS 15 2.714 -3.751 2.314
133 HD2 LYS 15 2HD LYS 15 0.797 -4.602 1.021
134 HD3 LYS 15 1HD LYS 15 1.813 -4.641 -0.417
135 HE2 LYS 15 2HE LYS 15 3.323 -6.218 0.706
136 HE3 LYS 15 1HE LYS 15 2.289 -6.178 2.135
137 HZ1 LYS 15 1HZ LYS 15 1.540 -7.156 -0.555
138 HZ2 LYS 15 2HZ LYS 15 0.473 -6.993 0.715
139 HZ3 LYS 15 3HZ LYS 15 1.735 -8.105 0.828
140 H CYS 16 HN CYS 16 5.170 -2.113 2.042
141 HA CYS 16 HA CYS 16 6.340 -1.109 -0.413
142 HB2 CYS 16 2HB CYS 16 6.769 0.451 1.560
143 HB3 CYS 16 1HB CYS 16 7.685 -0.863 2.283
144 H ARG 17 HN ARG 17 8.563 -2.194 -0.639
145 HA ARG 17 HA ARG 17 8.209 -4.953 0.241
146 HB2 ARG 17 2HB ARG 17 9.874 -3.908 -2.060
147 HB3 ARG 17 1HB ARG 17 9.696 -5.598 -1.618
148 HG2 ARG 17 2HG ARG 17 7.606 -3.758 -2.767
149 HG3 ARG 17 1HG ARG 17 8.290 -5.214 -3.491
150 HD2 ARG 17 2HD ARG 17 6.467 -5.052 -1.086
151 HD3 ARG 17 1HD ARG 17 6.068 -5.692 -2.673
152 HE ARG 17 HE ARG 17 7.741 -7.457 -2.215
153 HH11 ARG 17 1HH1 ARG 17 6.306 -5.744 0.580
154 HH12 ARG 17 2HH1 ARG 17 6.415 -7.096 1.596
155 HH21 ARG 17 1HH2 ARG 17 7.885 -9.271 -0.748
156 HH22 ARG 17 2HH2 ARG 17 7.322 -9.119 0.859
157 HN1 NH2 18 1H ARG 17 9.118 -4.949 2.163
158 HN2 NH2 18 2H ARG 17 10.752 -4.506 2.495
Start of MODEL 16
1 H1 ARG 1 1HT ARG 1 11.878 -1.269 -3.594
2 H2 ARG 1 2HT ARG 1 13.381 -1.540 -4.251
3 H3 ARG 1 3HT ARG 1 12.339 -0.454 -4.999
4 HA ARG 1 HA ARG 1 13.594 -0.191 -2.327
5 HB2 ARG 1 2HB ARG 1 15.134 0.236 -4.232
6 HB3 ARG 1 1HB ARG 1 13.999 1.416 -4.853
7 HG2 ARG 1 2HG ARG 1 15.871 2.492 -3.762
8 HG3 ARG 1 1HG ARG 1 14.358 2.834 -2.923
9 HD2 ARG 1 2HD ARG 1 16.172 2.381 -1.354
10 HD3 ARG 1 1HD ARG 1 14.914 1.151 -1.248
11 HE ARG 1 HE ARG 1 16.699 0.134 -3.024
12 HH11 ARG 1 1HH1 ARG 1 16.979 1.284 0.304
13 HH12 ARG 1 2HH1 ARG 1 18.261 0.250 0.697
14 HH21 ARG 1 1HH2 ARG 1 18.361 -1.282 -2.510
15 HH22 ARG 1 2HH2 ARG 1 19.086 -1.272 -0.949
16 H TRP 2 HN TRP 2 10.884 0.754 -4.332
17 HA TRP 2 HA TRP 2 10.501 3.091 -2.619
18 HB2 TRP 2 2HB TRP 2 8.810 3.815 -4.232
19 HB3 TRP 2 1HB TRP 2 10.346 3.521 -5.033
20 HD1 TRP 2 1HD TRP 2 6.959 1.733 -4.507
21 HE1 TRP 2 1HE TRP 2 6.452 0.336 -6.639
22 HE3 TRP 2 3HE TRP 2 11.249 2.625 -7.105
23 HZ2 TRP 2 2HZ TRP 2 7.712 -0.279 -9.055
24 HZ3 TRP 2 3HZ TRP 2 11.519 1.601 -9.325
25 HH2 TRP 2 2HH TRP 2 9.776 0.179 -10.272
26 H CYS 3 HN CYS 3 8.171 3.491 -2.043
27 HA CYS 3 HA CYS 3 6.910 0.955 -1.332
28 HB2 CYS 3 2HB CYS 3 6.825 3.608 0.125
29 HB3 CYS 3 1HB CYS 3 5.861 2.202 0.558
30 H PHE 4 HN PHE 4 4.488 1.114 -1.252
31 HA PHE 4 HA PHE 4 3.466 3.103 -3.105
32 HB2 PHE 4 2HB PHE 4 2.224 1.248 -4.268
33 HB3 PHE 4 1HB PHE 4 3.967 1.256 -4.522
34 HD1 PHE 4 1HD PHE 4 5.308 -0.592 -3.899
35 HD2 PHE 4 2HD PHE 4 1.235 -0.431 -2.699
36 HE1 PHE 4 1HE PHE 4 5.439 -2.927 -3.158
37 HE2 PHE 4 2HE PHE 4 1.348 -2.749 -1.950
38 HZ PHE 4 HZ PHE 4 3.464 -4.019 -2.180
39 H ARG 5 HN ARG 5 1.069 3.166 -3.033
40 HA ARG 5 HA ARG 5 0.229 2.391 -0.345
41 HB2 ARG 5 2HB ARG 5 0.331 4.880 -1.055
42 HB3 ARG 5 1HB ARG 5 -1.095 4.517 -2.015
43 HG2 ARG 5 2HG ARG 5 -2.317 3.885 -0.030
44 HG3 ARG 5 1HG ARG 5 -0.880 4.119 0.962
45 HD2 ARG 5 2HD ARG 5 -0.856 6.505 0.208
46 HD3 ARG 5 1HD ARG 5 -2.418 6.211 -0.555
47 HE ARG 5 HE ARG 5 -2.161 5.620 2.288
48 HH11 ARG 5 1HH1 ARG 5 -3.419 7.838 -0.172
49 HH12 ARG 5 2HH1 ARG 5 -4.487 8.623 0.900
50 HH21 ARG 5 1HH2 ARG 5 -3.624 6.712 3.734
51 HH22 ARG 5 2HH2 ARG 5 -4.590 7.977 3.159
52 H VAL 6 HN VAL 6 -1.358 1.022 -0.128
53 HA VAL 6 HA VAL 6 -2.756 0.077 -2.530
54 HB VAL 6 HB VAL 6 -2.219 -1.313 0.134
55 HG11 VAL 6 1HG1 VAL 6 -4.394 -1.989 -0.804
56 HG12 VAL 6 2HG1 VAL 6 -3.220 -3.302 -0.842
57 HG13 VAL 6 3HG1 VAL 6 -3.591 -2.413 -2.318
58 HG21 VAL 6 1HG2 VAL 6 -1.158 -1.866 -2.620
59 HG22 VAL 6 2HG2 VAL 6 -0.857 -2.840 -1.181
60 HG23 VAL 6 3HG2 VAL 6 -0.262 -1.182 -1.265
61 H CYS 7 HN CYS 7 -4.947 0.312 -2.586
62 HA CYS 7 HA CYS 7 -6.170 1.403 -0.173
63 HB2 CYS 7 2HB CYS 7 -6.872 1.857 -3.075
64 HB3 CYS 7 1HB CYS 7 -7.884 2.367 -1.726
65 H TYR 8 HN TYR 8 -7.668 0.351 0.755
66 HA TYR 8 HA TYR 8 -9.068 -1.774 -0.676
67 HB2 TYR 8 2HB TYR 8 -7.395 -2.819 0.739
68 HB3 TYR 8 1HB TYR 8 -7.912 -1.813 2.095
69 HD1 TYR 8 1HD TYR 8 -9.005 -2.949 3.711
70 HD2 TYR 8 2HD TYR 8 -9.661 -4.066 -0.333
71 HE1 TYR 8 1HE TYR 8 -10.600 -4.643 4.441
72 HE2 TYR 8 2HE TYR 8 -11.233 -5.769 0.378
73 HH TYR 8 HH TYR 8 -11.737 -7.068 2.386
74 H ARG 9 HN ARG 9 -10.928 -0.696 -0.929
75 HA ARG 9 HA ARG 9 -12.922 0.249 -0.502
76 HB2 ARG 9 2HB ARG 9 -12.631 -1.400 2.005
77 HB3 ARG 9 1HB ARG 9 -14.123 -0.610 1.514
78 HG2 ARG 9 2HG ARG 9 -13.983 -1.951 -0.636
79 HG3 ARG 9 1HG ARG 9 -12.657 -2.819 0.112
80 HD2 ARG 9 2HD ARG 9 -15.363 -2.587 1.396
81 HD3 ARG 9 1HD ARG 9 -14.912 -3.919 0.343
82 HE ARG 9 HE ARG 9 -13.150 -4.437 1.938
83 HH11 ARG 9 1HH1 ARG 9 -15.802 -2.408 3.165
84 HH12 ARG 9 2HH1 ARG 9 -15.640 -2.953 4.755
85 HH21 ARG 9 1HH2 ARG 9 -12.985 -5.189 4.111
86 HH22 ARG 9 2HH2 ARG 9 -14.022 -4.559 5.312
87 H GLY 10 HN GLY 10 -10.817 1.935 0.091
88 HA2 GLY 10 2HA GLY 10 -11.162 4.214 0.799
89 HA3 GLY 10 1HA GLY 10 -12.123 3.603 2.138
90 H ILE 11 HN ILE 11 -10.007 1.469 2.551
91 HA ILE 11 HA ILE 11 -8.329 3.077 4.267
92 HB ILE 11 HB ILE 11 -8.447 0.055 3.906
93 HG12 ILE 11 2HG1 ILE 11 -9.383 0.114 6.281
94 HG13 ILE 11 1HG1 ILE 11 -9.664 1.831 6.029
95 HG21 ILE 11 1HG2 ILE 11 -6.250 0.721 4.651
96 HG22 ILE 11 2HG2 ILE 11 -7.104 -0.135 5.930
97 HG23 ILE 11 3HG2 ILE 11 -6.950 1.620 6.000
98 HD11 ILE 11 1HD1 ILE 11 -11.178 1.297 4.204
99 HD12 ILE 11 2HD1 ILE 11 -11.665 0.468 5.689
100 HD13 ILE 11 3HD1 ILE 11 -10.821 -0.413 4.409
101 H CYS 12 HN CYS 12 -6.762 4.046 3.133
102 HA CYS 12 HA CYS 12 -5.249 2.413 1.248
103 HB2 CYS 12 2HB CYS 12 -5.339 5.422 1.539
104 HB3 CYS 12 1HB CYS 12 -4.385 4.522 0.370
105 H TYR 13 HN TYR 13 -3.485 1.602 1.975
106 HA TYR 13 HA TYR 13 -2.037 3.023 4.086
107 HB2 TYR 13 2HB TYR 13 -1.399 0.804 5.012
108 HB3 TYR 13 1HB TYR 13 -3.126 1.114 5.088
109 HD1 TYR 13 1HD TYR 13 -0.505 -0.971 3.657
110 HD2 TYR 13 2HD TYR 13 -4.678 -0.153 3.641
111 HE1 TYR 13 1HE TYR 13 -0.923 -3.118 2.557
112 HE2 TYR 13 2HE TYR 13 -5.107 -2.289 2.543
113 HH TYR 13 HH TYR 13 -2.749 -4.719 2.298
114 H ARG 14 HN ARG 14 0.187 2.934 4.000
115 HA ARG 14 HA ARG 14 1.230 2.382 1.359
116 HB2 ARG 14 2HB ARG 14 1.821 4.527 2.337
117 HB3 ARG 14 1HB ARG 14 2.509 3.726 3.743
118 HG2 ARG 14 2HG ARG 14 4.244 2.738 2.358
119 HG3 ARG 14 1HG ARG 14 3.529 3.466 0.920
120 HD2 ARG 14 2HD ARG 14 4.588 4.994 3.288
121 HD3 ARG 14 1HD ARG 14 5.477 4.721 1.791
122 HE ARG 14 HE ARG 14 3.094 5.826 1.041
123 HH11 ARG 14 1HH1 ARG 14 5.810 6.813 3.080
124 HH12 ARG 14 2HH1 ARG 14 5.606 8.469 2.794
125 HH21 ARG 14 1HH2 ARG 14 2.811 8.129 0.635
126 HH22 ARG 14 2HH2 ARG 14 3.886 9.233 1.365
127 H LYS 15 HN LYS 15 2.264 0.684 0.873
128 HA LYS 15 HA LYS 15 3.264 -1.058 3.000
129 HB2 LYS 15 2HB LYS 15 1.119 -1.804 1.926
130 HB3 LYS 15 1HB LYS 15 1.963 -1.855 0.392
131 HG2 LYS 15 2HG LYS 15 3.451 -3.586 1.281
132 HG3 LYS 15 1HG LYS 15 2.574 -3.531 2.813
133 HD2 LYS 15 2HD LYS 15 0.502 -4.133 1.606
134 HD3 LYS 15 1HD LYS 15 1.441 -4.275 0.123
135 HE2 LYS 15 2HE LYS 15 2.795 -6.027 1.175
136 HE3 LYS 15 1HE LYS 15 1.820 -5.882 2.635
137 HZ1 LYS 15 1HZ LYS 15 0.828 -6.711 -0.034
138 HZ2 LYS 15 2HZ LYS 15 -0.111 -6.531 1.353
139 HZ3 LYS 15 3HZ LYS 15 1.075 -7.719 1.295
140 H CYS 16 HN CYS 16 5.201 -2.084 2.469
141 HA CYS 16 HA CYS 16 6.484 -1.170 -0.001
142 HB2 CYS 16 2HB CYS 16 7.890 -1.681 2.632
143 HB3 CYS 16 1HB CYS 16 8.549 -0.938 1.178
144 H ARG 17 HN ARG 17 7.261 -2.793 -1.222
145 HA ARG 17 HA ARG 17 7.089 -5.490 -0.155
146 HB2 ARG 17 2HB ARG 17 5.850 -5.031 -2.240
147 HB3 ARG 17 1HB ARG 17 7.331 -4.495 -3.006
148 HG2 ARG 17 2HG ARG 17 8.258 -6.724 -2.871
149 HG3 ARG 17 1HG ARG 17 6.835 -7.279 -1.995
150 HD2 ARG 17 2HD ARG 17 5.441 -6.820 -3.894
151 HD3 ARG 17 1HD ARG 17 6.811 -6.170 -4.794
152 HE ARG 17 HE ARG 17 7.285 -8.813 -3.882
153 HH11 ARG 17 1HH1 ARG 17 5.563 -7.060 -6.428
154 HH12 ARG 17 2HH1 ARG 17 5.689 -8.327 -7.564
155 HH21 ARG 17 1HH2 ARG 17 7.409 -10.552 -5.428
156 HH22 ARG 17 2HH2 ARG 17 6.726 -10.339 -6.977
157 HN1 NH2 18 1H ARG 17 8.960 -5.470 1.025
158 HN2 NH2 18 2H ARG 17 10.523 -5.442 0.295
Start of MODEL 17
1 H1 ARG 1 1HT ARG 1 12.279 -1.445 -2.337
2 H2 ARG 1 2HT ARG 1 13.918 -1.263 -2.024
3 H3 ARG 1 3HT ARG 1 13.230 -0.454 -3.312
4 HA ARG 1 HA ARG 1 12.484 -0.017 -0.504
5 HB2 ARG 1 2HB ARG 1 14.827 0.692 -0.857
6 HB3 ARG 1 1HB ARG 1 14.355 1.601 -2.272
7 HG2 ARG 1 2HG ARG 1 14.849 3.016 -0.326
8 HG3 ARG 1 1HG ARG 1 13.193 3.204 -0.895
9 HD2 ARG 1 2HD ARG 1 12.457 1.642 0.871
10 HD3 ARG 1 1HD ARG 1 14.116 1.593 1.481
11 HE ARG 1 HE ARG 1 13.872 4.022 1.813
12 HH11 ARG 1 1HH1 ARG 1 10.983 1.919 1.892
13 HH12 ARG 1 2HH1 ARG 1 10.061 3.030 2.767
14 HH21 ARG 1 1HH2 ARG 1 12.585 5.500 3.034
15 HH22 ARG 1 2HH2 ARG 1 10.974 5.116 3.430
16 H TRP 2 HN TRP 2 11.107 -0.232 -3.375
17 HA TRP 2 HA TRP 2 9.899 2.362 -3.428
18 HB2 TRP 2 2HB TRP 2 10.382 1.197 -5.550
19 HB3 TRP 2 1HB TRP 2 9.322 -0.121 -5.069
20 HD1 TRP 2 1HD TRP 2 8.985 3.713 -5.564
21 HE1 TRP 2 1HE TRP 2 6.688 4.175 -6.640
22 HE3 TRP 2 3HE TRP 2 7.229 -1.074 -5.797
23 HZ2 TRP 2 2HZ TRP 2 4.445 2.696 -7.491
24 HZ3 TRP 2 3HZ TRP 2 5.003 -1.463 -6.763
25 HH2 TRP 2 2HH TRP 2 3.646 0.393 -7.588
26 H CYS 3 HN CYS 3 7.924 2.867 -2.698
27 HA CYS 3 HA CYS 3 6.404 0.762 -1.334
28 HB2 CYS 3 2HB CYS 3 6.696 3.670 -0.542
29 HB3 CYS 3 1HB CYS 3 5.664 2.492 0.256
30 H PHE 4 HN PHE 4 4.311 0.634 -1.699
31 HA PHE 4 HA PHE 4 3.260 2.613 -3.525
32 HB2 PHE 4 2HB PHE 4 1.914 0.772 -4.581
33 HB3 PHE 4 1HB PHE 4 3.663 0.668 -4.780
34 HD1 PHE 4 1HD PHE 4 0.825 -0.751 -2.897
35 HD2 PHE 4 2HD PHE 4 4.844 -1.234 -4.160
36 HE1 PHE 4 1HE PHE 4 0.773 -3.078 -2.136
37 HE2 PHE 4 2HE PHE 4 4.809 -3.573 -3.394
38 HZ PHE 4 HZ PHE 4 2.775 -4.502 -2.384
39 H ARG 5 HN ARG 5 0.903 2.750 -3.506
40 HA ARG 5 HA ARG 5 -0.017 2.558 -0.713
41 HB2 ARG 5 2HB ARG 5 0.340 4.850 -1.709
42 HB3 ARG 5 1HB ARG 5 -0.933 4.470 -2.856
43 HG2 ARG 5 2HG ARG 5 -2.513 4.228 -0.987
44 HG3 ARG 5 1HG ARG 5 -1.232 4.695 0.134
45 HD2 ARG 5 2HD ARG 5 -0.971 6.813 -1.201
46 HD3 ARG 5 1HD ARG 5 -2.414 6.331 -2.093
47 HE ARG 5 HE ARG 5 -2.426 6.745 0.810
48 HH11 ARG 5 1HH1 ARG 5 -3.843 7.443 -2.373
49 HH12 ARG 5 2HH1 ARG 5 -5.130 8.358 -1.728
50 HH21 ARG 5 1HH2 ARG 5 -4.167 8.047 1.644
51 HH22 ARG 5 2HH2 ARG 5 -5.328 8.700 0.594
52 H VAL 6 HN VAL 6 -1.541 1.079 -0.477
53 HA VAL 6 HA VAL 6 -3.192 0.401 -2.817
54 HB VAL 6 HB VAL 6 -2.732 -1.278 -0.317
55 HG11 VAL 6 1HG1 VAL 6 -4.924 -1.674 -1.323
56 HG12 VAL 6 2HG1 VAL 6 -3.867 -3.070 -1.540
57 HG13 VAL 6 3HG1 VAL 6 -4.162 -1.969 -2.887
58 HG21 VAL 6 1HG2 VAL 6 -0.731 -1.198 -1.637
59 HG22 VAL 6 2HG2 VAL 6 -1.636 -1.611 -3.095
60 HG23 VAL 6 3HG2 VAL 6 -1.481 -2.787 -1.788
61 H CYS 7 HN CYS 7 -5.313 0.810 -2.690
62 HA CYS 7 HA CYS 7 -6.300 1.645 -0.078
63 HB2 CYS 7 2HB CYS 7 -7.248 2.412 -2.847
64 HB3 CYS 7 1HB CYS 7 -8.041 2.882 -1.347
65 H TYR 8 HN TYR 8 -7.748 0.480 0.817
66 HA TYR 8 HA TYR 8 -9.224 -1.485 -0.770
67 HB2 TYR 8 2HB TYR 8 -7.339 -2.553 0.443
68 HB3 TYR 8 1HB TYR 8 -7.952 -1.839 1.936
69 HD1 TYR 8 1HD TYR 8 -8.800 -4.269 -0.752
70 HD2 TYR 8 2HD TYR 8 -9.571 -2.939 3.210
71 HE1 TYR 8 1HE TYR 8 -10.196 -6.244 -0.367
72 HE2 TYR 8 2HE TYR 8 -10.961 -4.894 3.611
73 HH TYR 8 HH TYR 8 -11.014 -7.583 1.542
74 H ARG 9 HN ARG 9 -11.156 -0.511 -0.714
75 HA ARG 9 HA ARG 9 -13.190 0.180 0.034
76 HB2 ARG 9 2HB ARG 9 -12.294 -1.104 2.621
77 HB3 ARG 9 1HB ARG 9 -13.927 -0.553 2.305
78 HG2 ARG 9 2HG ARG 9 -12.487 -2.751 0.817
79 HG3 ARG 9 1HG ARG 9 -13.700 -2.985 2.070
80 HD2 ARG 9 2HD ARG 9 -14.849 -3.274 0.033
81 HD3 ARG 9 1HD ARG 9 -15.274 -1.660 0.576
82 HE ARG 9 HE ARG 9 -13.050 -1.870 -1.272
83 HH11 ARG 9 1HH1 ARG 9 -16.470 -1.091 -0.846
84 HH12 ARG 9 2HH1 ARG 9 -16.647 -0.394 -2.382
85 HH21 ARG 9 1HH2 ARG 9 -13.270 -0.877 -3.367
86 HH22 ARG 9 2HH2 ARG 9 -14.767 -0.257 -3.852
87 H GLY 10 HN GLY 10 -10.810 1.883 0.338
88 HA2 GLY 10 2HA GLY 10 -11.022 4.226 0.868
89 HA3 GLY 10 1HA GLY 10 -11.948 3.767 2.292
90 H ILE 11 HN ILE 11 -9.972 1.525 2.758
91 HA ILE 11 HA ILE 11 -8.190 3.053 4.409
92 HB ILE 11 HB ILE 11 -8.312 0.052 3.905
93 HG12 ILE 11 2HG1 ILE 11 -9.104 0.024 6.365
94 HG13 ILE 11 1HG1 ILE 11 -9.443 1.733 6.148
95 HG21 ILE 11 1HG2 ILE 11 -6.668 1.523 5.952
96 HG22 ILE 11 2HG2 ILE 11 -6.087 0.618 4.549
97 HG23 ILE 11 3HG2 ILE 11 -6.875 -0.230 5.872
98 HD11 ILE 11 1HD1 ILE 11 -11.036 1.182 4.384
99 HD12 ILE 11 2HD1 ILE 11 -11.438 0.328 5.882
100 HD13 ILE 11 3HD1 ILE 11 -10.633 -0.522 4.558
101 H CYS 12 HN CYS 12 -6.607 4.085 3.333
102 HA CYS 12 HA CYS 12 -5.201 2.582 1.268
103 HB2 CYS 12 2HB CYS 12 -5.107 5.547 1.867
104 HB3 CYS 12 1HB CYS 12 -4.249 4.720 0.569
105 H TYR 13 HN TYR 13 -3.453 1.620 1.849
106 HA TYR 13 HA TYR 13 -1.951 2.739 4.093
107 HB2 TYR 13 2HB TYR 13 -1.331 0.416 4.723
108 HB3 TYR 13 1HB TYR 13 -3.043 0.763 4.895
109 HD1 TYR 13 1HD TYR 13 -4.674 -0.323 3.459
110 HD2 TYR 13 2HD TYR 13 -0.524 -1.146 3.029
111 HE1 TYR 13 1HE TYR 13 -5.222 -2.258 2.125
112 HE2 TYR 13 2HE TYR 13 -1.052 -3.107 1.670
113 HH TYR 13 HH TYR 13 -2.849 -4.623 1.284
114 H ARG 14 HN ARG 14 0.247 2.292 4.171
115 HA ARG 14 HA ARG 14 1.531 2.356 1.572
116 HB2 ARG 14 2HB ARG 14 2.210 4.007 3.233
117 HB3 ARG 14 1HB ARG 14 2.514 2.732 4.395
118 HG2 ARG 14 2HG ARG 14 4.327 1.890 2.902
119 HG3 ARG 14 1HG ARG 14 4.087 3.319 1.895
120 HD2 ARG 14 2HD ARG 14 5.934 3.574 3.528
121 HD3 ARG 14 1HD ARG 14 4.654 4.770 3.741
122 HE ARG 14 HE ARG 14 3.800 3.229 5.533
123 HH11 ARG 14 1HH1 ARG 14 7.272 3.296 4.788
124 HH12 ARG 14 2HH1 ARG 14 7.752 2.901 6.362
125 HH21 ARG 14 1HH2 ARG 14 4.439 2.678 7.657
126 HH22 ARG 14 2HH2 ARG 14 6.097 2.547 8.061
127 H LYS 15 HN LYS 15 2.365 0.540 0.743
128 HA LYS 15 HA LYS 15 3.301 -1.513 2.592
129 HB2 LYS 15 2HB LYS 15 1.109 -2.114 1.491
130 HB3 LYS 15 1HB LYS 15 1.919 -2.003 -0.061
131 HG2 LYS 15 2HG LYS 15 3.331 -3.851 0.473
132 HG3 LYS 15 1HG LYS 15 2.716 -3.907 2.129
133 HD2 LYS 15 2HD LYS 15 0.464 -4.396 1.241
134 HD3 LYS 15 1HD LYS 15 1.135 -4.417 -0.392
135 HE2 LYS 15 2HE LYS 15 2.555 -6.288 0.202
136 HE3 LYS 15 1HE LYS 15 1.966 -6.236 1.863
137 HZ1 LYS 15 1HZ LYS 15 -0.240 -6.774 1.057
138 HZ2 LYS 15 2HZ LYS 15 0.867 -7.942 0.549
139 HZ3 LYS 15 3HZ LYS 15 0.313 -6.786 -0.537
140 H CYS 16 HN CYS 16 5.372 -2.136 2.137
141 HA CYS 16 HA CYS 16 6.554 -0.775 -0.173
142 HB2 CYS 16 2HB CYS 16 7.769 -1.316 2.525
143 HB3 CYS 16 1HB CYS 16 8.614 -0.600 1.159
144 H ARG 17 HN ARG 17 8.300 -1.689 -1.213
145 HA ARG 17 HA ARG 17 8.626 -4.575 -0.875
146 HB2 ARG 17 2HB ARG 17 9.219 -2.748 -3.205
147 HB3 ARG 17 1HB ARG 17 9.630 -4.456 -3.173
148 HG2 ARG 17 2HG ARG 17 6.863 -3.288 -3.052
149 HG3 ARG 17 1HG ARG 17 7.620 -3.996 -4.478
150 HD2 ARG 17 2HD ARG 17 6.982 -5.427 -1.897
151 HD3 ARG 17 1HD ARG 17 6.102 -5.575 -3.411
152 HE ARG 17 HE ARG 17 8.897 -6.231 -3.619
153 HH11 ARG 17 1HH1 ARG 17 5.646 -7.489 -3.072
154 HH12 ARG 17 2HH1 ARG 17 6.059 -9.107 -3.309
155 HH21 ARG 17 1HH2 ARG 17 9.487 -8.485 -3.944
156 HH22 ARG 17 2HH2 ARG 17 8.280 -9.679 -3.802
157 HN1 NH2 18 1H ARG 17 10.189 -4.774 0.574
158 HN2 NH2 18 2H ARG 17 11.697 -3.928 0.557
Start of MODEL 18
1 H1 ARG 1 1HT ARG 1 14.227 1.825 -1.284
2 H2 ARG 1 2HT ARG 1 14.011 0.921 -2.664
3 H3 ARG 1 3HT ARG 1 14.826 0.239 -1.345
4 HA ARG 1 HA ARG 1 12.580 -0.616 -1.535
5 HB2 ARG 1 2HB ARG 1 13.475 -0.381 0.737
6 HB3 ARG 1 1HB ARG 1 12.951 1.298 0.775
7 HG2 ARG 1 2HG ARG 1 10.600 0.513 0.519
8 HG3 ARG 1 1HG ARG 1 11.185 -1.140 0.685
9 HD2 ARG 1 2HD ARG 1 11.579 1.042 2.711
10 HD3 ARG 1 1HD ARG 1 10.297 -0.162 2.794
11 HE ARG 1 HE ARG 1 12.718 -1.489 2.563
12 HH11 ARG 1 1HH1 ARG 1 11.095 0.640 4.886
13 HH12 ARG 1 2HH1 ARG 1 11.810 -0.079 6.254
14 HH21 ARG 1 1HH2 ARG 1 13.699 -2.482 4.459
15 HH22 ARG 1 2HH2 ARG 1 13.329 -1.876 5.998
16 H TRP 2 HN TRP 2 11.103 0.007 -3.013
17 HA TRP 2 HA TRP 2 9.974 2.675 -2.695
18 HB2 TRP 2 2HB TRP 2 10.572 2.040 -5.019
19 HB3 TRP 2 1HB TRP 2 9.487 0.655 -4.924
20 HD1 TRP 2 1HD TRP 2 9.020 4.435 -4.187
21 HE1 TRP 2 1HE TRP 2 6.843 5.215 -5.270
22 HE3 TRP 2 3HE TRP 2 7.624 0.051 -6.422
23 HZ2 TRP 2 2HZ TRP 2 4.788 4.124 -6.894
24 HZ3 TRP 2 3HZ TRP 2 5.537 0.011 -7.722
25 HH2 TRP 2 2HH TRP 2 4.154 2.009 -7.950
26 H CYS 3 HN CYS 3 7.793 3.015 -2.256
27 HA CYS 3 HA CYS 3 6.323 0.651 -1.354
28 HB2 CYS 3 2HB CYS 3 6.250 3.427 -0.147
29 HB3 CYS 3 1HB CYS 3 5.394 2.006 0.429
30 H PHE 4 HN PHE 4 4.353 0.447 -2.063
31 HA PHE 4 HA PHE 4 3.261 2.612 -3.695
32 HB2 PHE 4 2HB PHE 4 2.129 0.863 -5.054
33 HB3 PHE 4 1HB PHE 4 3.880 0.657 -5.018
34 HD1 PHE 4 1HD PHE 4 0.679 -0.751 -3.894
35 HD2 PHE 4 2HD PHE 4 4.888 -1.279 -4.052
36 HE1 PHE 4 1HE PHE 4 0.400 -3.098 -3.245
37 HE2 PHE 4 2HE PHE 4 4.630 -3.633 -3.402
38 HZ PHE 4 HZ PHE 4 2.387 -4.554 -2.999
39 H ARG 5 HN ARG 5 0.786 2.601 -3.629
40 HA ARG 5 HA ARG 5 0.066 1.806 -0.902
41 HB2 ARG 5 2HB ARG 5 0.479 4.300 -1.325
42 HB3 ARG 5 1HB ARG 5 -1.031 4.270 -2.222
43 HG2 ARG 5 2HG ARG 5 -2.247 3.610 -0.255
44 HG3 ARG 5 1HG ARG 5 -0.748 3.456 0.662
45 HD2 ARG 5 2HD ARG 5 -0.324 5.876 0.186
46 HD3 ARG 5 1HD ARG 5 -1.955 5.963 -0.476
47 HE ARG 5 HE ARG 5 -1.989 4.889 2.149
48 HH11 ARG 5 1HH1 ARG 5 -1.507 7.971 0.470
49 HH12 ARG 5 2HH1 ARG 5 -2.078 8.917 1.766
50 HH21 ARG 5 1HH2 ARG 5 -2.752 6.181 3.921
51 HH22 ARG 5 2HH2 ARG 5 -2.778 7.874 3.784
52 H VAL 6 HN VAL 6 -1.686 0.689 -0.625
53 HA VAL 6 HA VAL 6 -3.418 0.191 -2.940
54 HB VAL 6 HB VAL 6 -2.719 -1.616 -0.586
55 HG11 VAL 6 1HG1 VAL 6 -4.476 -2.204 -2.972
56 HG12 VAL 6 2HG1 VAL 6 -5.050 -1.951 -1.324
57 HG13 VAL 6 3HG1 VAL 6 -4.036 -3.344 -1.701
58 HG21 VAL 6 1HG2 VAL 6 -2.051 -1.824 -3.507
59 HG22 VAL 6 2HG2 VAL 6 -1.667 -3.021 -2.269
60 HG23 VAL 6 3HG2 VAL 6 -0.939 -1.416 -2.204
61 H CYS 7 HN CYS 7 -5.573 0.504 -2.670
62 HA CYS 7 HA CYS 7 -6.374 1.465 -0.032
63 HB2 CYS 7 2HB CYS 7 -7.486 2.224 -2.731
64 HB3 CYS 7 1HB CYS 7 -8.036 2.821 -1.166
65 H TYR 8 HN TYR 8 -7.844 0.474 0.996
66 HA TYR 8 HA TYR 8 -9.599 -1.450 -0.361
67 HB2 TYR 8 2HB TYR 8 -7.785 -2.550 0.937
68 HB3 TYR 8 1HB TYR 8 -8.298 -1.622 2.346
69 HD1 TYR 8 1HD TYR 8 -10.149 -2.340 3.683
70 HD2 TYR 8 2HD TYR 8 -9.255 -4.344 0.053
71 HE1 TYR 8 1HE TYR 8 -11.662 -4.144 4.328
72 HE2 TYR 8 2HE TYR 8 -10.772 -6.163 0.671
73 HH TYR 8 HH TYR 8 -11.707 -7.128 2.750
74 H ARG 9 HN ARG 9 -11.461 -0.258 -0.337
75 HA ARG 9 HA ARG 9 -13.407 0.623 0.478
76 HB2 ARG 9 2HB ARG 9 -12.399 -0.454 3.113
77 HB3 ARG 9 1HB ARG 9 -14.014 0.173 2.850
78 HG2 ARG 9 2HG ARG 9 -14.348 -1.619 1.150
79 HG3 ARG 9 1HG ARG 9 -12.778 -2.265 1.611
80 HD2 ARG 9 2HD ARG 9 -14.635 -3.407 2.772
81 HD3 ARG 9 1HD ARG 9 -13.515 -2.612 3.880
82 HE ARG 9 HE ARG 9 -15.649 -0.895 3.207
83 HH11 ARG 9 1HH1 ARG 9 -14.953 -3.729 5.212
84 HH12 ARG 9 2HH1 ARG 9 -16.118 -3.363 6.396
85 HH21 ARG 9 1HH2 ARG 9 -17.261 -0.376 4.856
86 HH22 ARG 9 2HH2 ARG 9 -17.462 -1.420 6.173
87 H GLY 10 HN GLY 10 -10.846 2.204 0.566
88 HA2 GLY 10 2HA GLY 10 -10.891 4.586 0.913
89 HA3 GLY 10 1HA GLY 10 -11.818 4.306 2.385
90 H ILE 11 HN ILE 11 -9.968 1.939 2.889
91 HA ILE 11 HA ILE 11 -8.028 3.440 4.380
92 HB ILE 11 HB ILE 11 -8.401 0.423 4.169
93 HG12 ILE 11 2HG1 ILE 11 -9.180 0.644 6.598
94 HG13 ILE 11 1HG1 ILE 11 -9.340 2.368 6.297
95 HG21 ILE 11 1HG2 ILE 11 -6.125 0.973 4.742
96 HG22 ILE 11 2HG2 ILE 11 -6.942 0.234 6.115
97 HG23 ILE 11 3HG2 ILE 11 -6.672 1.980 6.083
98 HD11 ILE 11 1HD1 ILE 11 -11.025 1.897 4.599
99 HD12 ILE 11 2HD1 ILE 11 -11.476 1.167 6.147
100 HD13 ILE 11 3HD1 ILE 11 -10.794 0.172 4.852
101 H CYS 12 HN CYS 12 -6.489 4.230 3.144
102 HA CYS 12 HA CYS 12 -5.272 2.494 1.148
103 HB2 CYS 12 2HB CYS 12 -4.919 5.459 1.630
104 HB3 CYS 12 1HB CYS 12 -4.120 4.509 0.380
105 H TYR 13 HN TYR 13 -3.667 1.365 1.793
106 HA TYR 13 HA TYR 13 -1.906 2.467 3.851
107 HB2 TYR 13 2HB TYR 13 -1.525 0.104 4.613
108 HB3 TYR 13 1HB TYR 13 -3.156 0.692 4.883
109 HD1 TYR 13 1HD TYR 13 -1.059 -1.619 2.970
110 HD2 TYR 13 2HD TYR 13 -5.025 -0.286 3.689
111 HE1 TYR 13 1HE TYR 13 -1.918 -3.597 1.854
112 HE2 TYR 13 2HE TYR 13 -5.910 -2.251 2.571
113 HH TYR 13 HH TYR 13 -3.934 -4.929 1.854
114 H ARG 14 HN ARG 14 0.291 1.980 3.665
115 HA ARG 14 HA ARG 14 1.028 1.646 0.887
116 HB2 ARG 14 2HB ARG 14 3.108 2.686 1.468
117 HB3 ARG 14 1HB ARG 14 1.785 3.654 2.093
118 HG2 ARG 14 2HG ARG 14 2.193 2.551 4.323
119 HG3 ARG 14 1HG ARG 14 3.659 1.866 3.622
120 HD2 ARG 14 2HD ARG 14 2.989 4.774 4.044
121 HD3 ARG 14 1HD ARG 14 4.267 3.844 4.811
122 HE ARG 14 HE ARG 14 4.227 4.535 1.947
123 HH11 ARG 14 1HH1 ARG 14 6.063 3.959 4.917
124 HH12 ARG 14 2HH1 ARG 14 7.519 4.574 4.289
125 HH21 ARG 14 1HH2 ARG 14 6.219 5.426 1.110
126 HH22 ARG 14 2HH2 ARG 14 7.611 5.433 2.084
127 H LYS 15 HN LYS 15 2.293 0.099 0.141
128 HA LYS 15 HA LYS 15 3.215 -1.943 2.022
129 HB2 LYS 15 2HB LYS 15 2.324 -2.322 -0.848
130 HB3 LYS 15 1HB LYS 15 2.899 -3.590 0.229
131 HG2 LYS 15 2HG LYS 15 0.992 -3.155 1.725
132 HG3 LYS 15 1HG LYS 15 0.406 -1.941 0.597
133 HD2 LYS 15 2HD LYS 15 -0.824 -3.977 0.228
134 HD3 LYS 15 1HD LYS 15 0.255 -3.716 -1.134
135 HE2 LYS 15 2HE LYS 15 1.792 -5.355 -0.330
136 HE3 LYS 15 1HE LYS 15 0.919 -5.502 1.195
137 HZ1 LYS 15 1HZ LYS 15 0.392 -7.325 -0.326
138 HZ2 LYS 15 2HZ LYS 15 -0.172 -6.222 -1.471
139 HZ3 LYS 15 3HZ LYS 15 -0.960 -6.377 -0.009
140 H CYS 16 HN CYS 16 5.341 -2.445 1.869
141 HA CYS 16 HA CYS 16 6.846 -0.821 -0.042
142 HB2 CYS 16 2HB CYS 16 7.506 -1.588 2.790
143 HB3 CYS 16 1HB CYS 16 8.619 -0.788 1.682
144 H ARG 17 HN ARG 17 8.568 -1.643 -1.062
145 HA ARG 17 HA ARG 17 9.265 -4.443 -0.562
146 HB2 ARG 17 2HB ARG 17 9.109 -3.082 -3.259
147 HB3 ARG 17 1HB ARG 17 9.641 -4.733 -2.981
148 HG2 ARG 17 2HG ARG 17 6.862 -3.638 -2.567
149 HG3 ARG 17 1HG ARG 17 7.391 -4.725 -3.854
150 HD2 ARG 17 2HD ARG 17 7.916 -6.433 -2.186
151 HD3 ARG 17 1HD ARG 17 7.406 -5.339 -0.904
152 HE ARG 17 HE ARG 17 5.584 -6.243 -3.008
153 HH11 ARG 17 1HH1 ARG 17 6.261 -5.651 0.439
154 HH12 ARG 17 2HH1 ARG 17 4.809 -6.327 0.993
155 HH21 ARG 17 1HH2 ARG 17 3.571 -7.174 -2.228
156 HH22 ARG 17 2HH2 ARG 17 3.254 -7.242 -0.561
157 HN1 NH2 18 1H ARG 17 11.056 -4.031 0.524
158 HN2 NH2 18 2H ARG 17 12.378 -3.064 -0.021
Start of MODEL 19
1 H1 ARG 1 1HT ARG 1 14.251 1.734 -1.370
2 H2 ARG 1 2HT ARG 1 12.773 2.494 -1.002
3 H3 ARG 1 3HT ARG 1 13.501 2.775 -2.467
4 HA ARG 1 HA ARG 1 13.128 0.529 -3.164
5 HB2 ARG 1 2HB ARG 1 11.711 0.299 -0.485
6 HB3 ARG 1 1HB ARG 1 11.620 -0.881 -1.775
7 HG2 ARG 1 2HG ARG 1 14.142 -0.132 -0.313
8 HG3 ARG 1 1HG ARG 1 13.126 -1.526 0.042
9 HD2 ARG 1 2HD ARG 1 14.479 -1.010 -2.608
10 HD3 ARG 1 1HD ARG 1 15.084 -2.102 -1.367
11 HE ARG 1 HE ARG 1 12.664 -3.099 -1.739
12 HH11 ARG 1 1HH1 ARG 1 14.991 -2.065 -4.170
13 HH12 ARG 1 2HH1 ARG 1 14.522 -3.221 -5.315
14 HH21 ARG 1 1HH2 ARG 1 12.011 -4.679 -3.305
15 HH22 ARG 1 2HH2 ARG 1 12.794 -4.742 -4.823
16 H TRP 2 HN TRP 2 11.028 0.018 -4.124
17 HA TRP 2 HA TRP 2 9.450 2.379 -4.217
18 HB2 TRP 2 2HB TRP 2 8.123 1.241 -5.973
19 HB3 TRP 2 1HB TRP 2 9.841 1.219 -6.319
20 HD1 TRP 2 1HD TRP 2 11.049 -1.286 -5.609
21 HE1 TRP 2 1HE TRP 2 10.109 -3.637 -6.136
22 HE3 TRP 2 3HE TRP 2 6.144 -0.063 -6.319
23 HZ2 TRP 2 2HZ TRP 2 7.623 -4.795 -6.770
24 HZ3 TRP 2 3HZ TRP 2 4.551 -1.849 -6.889
25 HH2 TRP 2 2HH TRP 2 5.281 -4.165 -7.107
26 H CYS 3 HN CYS 3 8.130 2.821 -2.734
27 HA CYS 3 HA CYS 3 6.615 0.720 -1.378
28 HB2 CYS 3 2HB CYS 3 7.026 3.622 -0.611
29 HB3 CYS 3 1HB CYS 3 6.239 2.396 0.368
30 H PHE 4 HN PHE 4 4.444 0.637 -1.607
31 HA PHE 4 HA PHE 4 3.308 2.691 -3.310
32 HB2 PHE 4 2HB PHE 4 2.011 0.879 -4.453
33 HB3 PHE 4 1HB PHE 4 3.755 0.827 -4.698
34 HD1 PHE 4 1HD PHE 4 5.069 -1.022 -3.923
35 HD2 PHE 4 2HD PHE 4 0.914 -0.813 -3.075
36 HE1 PHE 4 1HE PHE 4 5.101 -3.378 -3.232
37 HE2 PHE 4 2HE PHE 4 0.924 -3.145 -2.369
38 HZ PHE 4 HZ PHE 4 3.028 -4.455 -2.449
39 H ARG 5 HN ARG 5 1.009 2.810 -3.250
40 HA ARG 5 HA ARG 5 0.019 2.504 -0.510
41 HB2 ARG 5 2HB ARG 5 0.232 4.793 -1.318
42 HB3 ARG 5 1HB ARG 5 -0.713 4.397 -2.739
43 HG2 ARG 5 2HG ARG 5 -2.684 4.078 -1.374
44 HG3 ARG 5 1HG ARG 5 -1.738 4.413 0.083
45 HD2 ARG 5 2HD ARG 5 -1.233 6.644 -0.720
46 HD3 ARG 5 1HD ARG 5 -2.074 6.317 -2.228
47 HE ARG 5 HE ARG 5 -4.128 6.241 -1.010
48 HH11 ARG 5 1HH1 ARG 5 -1.373 7.664 0.744
49 HH12 ARG 5 2HH1 ARG 5 -2.341 8.543 1.815
50 HH21 ARG 5 1HH2 ARG 5 -5.443 7.513 0.457
51 HH22 ARG 5 2HH2 ARG 5 -4.695 8.463 1.655
52 H VAL 6 HN VAL 6 -1.315 0.827 -0.307
53 HA VAL 6 HA VAL 6 -2.986 0.051 -2.585
54 HB VAL 6 HB VAL 6 -2.380 -1.489 -0.024
55 HG11 VAL 6 1HG1 VAL 6 -3.885 -2.346 -2.496
56 HG12 VAL 6 2HG1 VAL 6 -4.598 -2.022 -0.916
57 HG13 VAL 6 3HG1 VAL 6 -3.484 -3.377 -1.121
58 HG21 VAL 6 1HG2 VAL 6 -1.434 -1.928 -2.838
59 HG22 VAL 6 2HG2 VAL 6 -1.126 -2.984 -1.458
60 HG23 VAL 6 3HG2 VAL 6 -0.466 -1.349 -1.482
61 H CYS 7 HN CYS 7 -5.119 0.466 -2.531
62 HA CYS 7 HA CYS 7 -6.205 1.417 0.014
63 HB2 CYS 7 2HB CYS 7 -6.933 2.263 -2.787
64 HB3 CYS 7 1HB CYS 7 -7.769 2.778 -1.328
65 H TYR 8 HN TYR 8 -7.835 0.410 0.831
66 HA TYR 8 HA TYR 8 -9.483 -1.305 -0.881
67 HB2 TYR 8 2HB TYR 8 -7.995 -2.694 0.490
68 HB3 TYR 8 1HB TYR 8 -8.549 -1.819 1.925
69 HD1 TYR 8 1HD TYR 8 -9.730 -4.068 -0.814
70 HD2 TYR 8 2HD TYR 8 -10.478 -2.557 3.089
71 HE1 TYR 8 1HE TYR 8 -11.570 -5.663 -0.559
72 HE2 TYR 8 2HE TYR 8 -12.321 -4.140 3.361
73 HH TYR 8 HH TYR 8 -13.791 -5.530 2.131
74 H ARG 9 HN ARG 9 -11.236 -0.063 -1.032
75 HA ARG 9 HA ARG 9 -13.175 0.949 -0.521
76 HB2 ARG 9 2HB ARG 9 -12.862 -0.718 1.972
77 HB3 ARG 9 1HB ARG 9 -14.331 0.158 1.576
78 HG2 ARG 9 2HG ARG 9 -13.077 -2.020 -0.093
79 HG3 ARG 9 1HG ARG 9 -14.489 -2.207 0.951
80 HD2 ARG 9 2HD ARG 9 -15.697 -0.556 -0.397
81 HD3 ARG 9 1HD ARG 9 -14.288 -0.354 -1.428
82 HE ARG 9 HE ARG 9 -15.020 -3.043 -1.379
83 HH11 ARG 9 1HH1 ARG 9 -16.185 0.084 -2.594
84 HH12 ARG 9 2HH1 ARG 9 -16.987 -0.563 -3.940
85 HH21 ARG 9 1HH2 ARG 9 -16.143 -3.944 -3.271
86 HH22 ARG 9 2HH2 ARG 9 -16.973 -2.890 -4.328
87 H GLY 10 HN GLY 10 -10.732 2.324 0.180
88 HA2 GLY 10 2HA GLY 10 -10.867 4.666 0.870
89 HA3 GLY 10 1HA GLY 10 -11.861 4.124 2.214
90 H ILE 11 HN ILE 11 -10.053 1.767 2.620
91 HA ILE 11 HA ILE 11 -8.236 3.159 4.368
92 HB ILE 11 HB ILE 11 -8.632 0.174 3.962
93 HG12 ILE 11 2HG1 ILE 11 -9.595 0.280 6.314
94 HG13 ILE 11 1HG1 ILE 11 -9.665 2.026 6.121
95 HG21 ILE 11 1HG2 ILE 11 -7.357 -0.088 6.074
96 HG22 ILE 11 2HG2 ILE 11 -6.946 1.628 5.987
97 HG23 ILE 11 3HG2 ILE 11 -6.413 0.523 4.719
98 HD11 ILE 11 1HD1 ILE 11 -11.215 1.757 4.281
99 HD12 ILE 11 2HD1 ILE 11 -11.818 0.906 5.711
100 HD13 ILE 11 3HD1 ILE 11 -11.053 0.011 4.390
101 H CYS 12 HN CYS 12 -6.477 3.908 3.460
102 HA CYS 12 HA CYS 12 -5.156 2.219 1.495
103 HB2 CYS 12 2HB CYS 12 -4.774 5.170 2.023
104 HB3 CYS 12 1HB CYS 12 -3.968 4.238 0.771
105 H TYR 13 HN TYR 13 -3.300 1.332 2.045
106 HA TYR 13 HA TYR 13 -1.805 2.484 4.265
107 HB2 TYR 13 2HB TYR 13 -1.177 0.143 4.956
108 HB3 TYR 13 1HB TYR 13 -2.865 0.547 5.219
109 HD1 TYR 13 1HD TYR 13 -4.615 -0.547 3.932
110 HD2 TYR 13 2HD TYR 13 -0.523 -1.517 3.273
111 HE1 TYR 13 1HE TYR 13 -5.302 -2.522 2.705
112 HE2 TYR 13 2HE TYR 13 -1.193 -3.516 2.030
113 HH TYR 13 HH TYR 13 -3.138 -5.024 1.834
114 H ARG 14 HN ARG 14 0.422 2.220 4.160
115 HA ARG 14 HA ARG 14 1.377 2.001 1.441
116 HB2 ARG 14 2HB ARG 14 2.149 3.940 2.642
117 HB3 ARG 14 1HB ARG 14 2.704 2.953 3.982
118 HG2 ARG 14 2HG ARG 14 4.483 2.029 2.629
119 HG3 ARG 14 1HG ARG 14 3.869 2.856 1.199
120 HD2 ARG 14 2HD ARG 14 4.856 4.246 3.692
121 HD3 ARG 14 1HD ARG 14 5.823 3.993 2.239
122 HE ARG 14 HE ARG 14 3.523 5.183 1.392
123 HH11 ARG 14 1HH1 ARG 14 6.140 6.116 3.589
124 HH12 ARG 14 2HH1 ARG 14 5.977 7.782 3.310
125 HH21 ARG 14 1HH2 ARG 14 3.308 7.482 0.998
126 HH22 ARG 14 2HH2 ARG 14 4.340 8.572 1.779
127 H LYS 15 HN LYS 15 2.081 0.207 0.697
128 HA LYS 15 HA LYS 15 3.231 -1.755 2.532
129 HB2 LYS 15 2HB LYS 15 1.067 -2.379 1.341
130 HB3 LYS 15 1HB LYS 15 1.954 -2.263 -0.170
131 HG2 LYS 15 2HG LYS 15 3.404 -4.059 0.495
132 HG3 LYS 15 1HG LYS 15 2.638 -4.129 2.084
133 HD2 LYS 15 2HD LYS 15 0.495 -4.698 0.965
134 HD3 LYS 15 1HD LYS 15 1.353 -4.742 -0.576
135 HE2 LYS 15 2HE LYS 15 1.105 -6.990 0.322
136 HE3 LYS 15 1HE LYS 15 2.803 -6.520 0.290
137 HZ1 LYS 15 1HZ LYS 15 2.628 -6.004 2.684
138 HZ2 LYS 15 2HZ LYS 15 2.248 -7.611 2.375
139 HZ3 LYS 15 3HZ LYS 15 1.030 -6.503 2.673
140 H CYS 16 HN CYS 16 5.313 -2.445 2.006
141 HA CYS 16 HA CYS 16 6.443 -1.416 -0.453
142 HB2 CYS 16 2HB CYS 16 6.585 0.413 1.239
143 HB3 CYS 16 1HB CYS 16 7.544 -0.659 2.250
144 H ARG 17 HN ARG 17 7.925 -2.749 -1.192
145 HA ARG 17 HA ARG 17 8.816 -4.846 0.612
146 HB2 ARG 17 2HB ARG 17 9.435 -6.114 -1.474
147 HB3 ARG 17 1HB ARG 17 7.721 -5.811 -1.278
148 HG2 ARG 17 2HG ARG 17 7.801 -4.076 -2.953
149 HG3 ARG 17 1HG ARG 17 9.557 -4.234 -3.069
150 HD2 ARG 17 2HD ARG 17 7.549 -6.393 -3.716
151 HD3 ARG 17 1HD ARG 17 8.420 -5.411 -4.895
152 HE ARG 17 HE ARG 17 10.222 -6.704 -3.137
153 HH11 ARG 17 1HH1 ARG 17 8.134 -7.422 -5.912
154 HH12 ARG 17 2HH1 ARG 17 9.124 -8.683 -6.481
155 HH21 ARG 17 1HH2 ARG 17 11.544 -8.441 -3.916
156 HH22 ARG 17 2HH2 ARG 17 11.092 -9.277 -5.336
157 HN1 NH2 18 1H ARG 17 10.292 -3.411 1.559
158 HN2 NH2 18 2H ARG 17 11.824 -3.101 0.827
Start of MODEL 20
1 H1 ARG 1 1HT ARG 1 14.037 0.615 -0.779
2 H2 ARG 1 2HT ARG 1 13.327 0.483 -2.287
3 H3 ARG 1 3HT ARG 1 12.438 0.120 -0.895
4 HA ARG 1 HA ARG 1 12.537 2.359 -0.141
5 HB2 ARG 1 2HB ARG 1 13.460 4.125 -1.481
6 HB3 ARG 1 1HB ARG 1 14.707 2.900 -1.306
7 HG2 ARG 1 2HG ARG 1 14.199 2.079 -3.569
8 HG3 ARG 1 1HG ARG 1 12.949 3.306 -3.716
9 HD2 ARG 1 2HD ARG 1 14.906 4.072 -4.847
10 HD3 ARG 1 1HD ARG 1 14.679 5.046 -3.396
11 HE ARG 1 HE ARG 1 16.410 2.862 -2.885
12 HH11 ARG 1 1HH1 ARG 1 16.350 6.088 -4.331
13 HH12 ARG 1 2HH1 ARG 1 18.035 6.303 -4.264
14 HH21 ARG 1 1HH2 ARG 1 18.733 3.164 -2.770
15 HH22 ARG 1 2HH2 ARG 1 19.407 4.609 -3.352
16 H TRP 2 HN TRP 2 11.332 0.403 -2.562
17 HA TRP 2 HA TRP 2 9.591 2.458 -3.602
18 HB2 TRP 2 2HB TRP 2 10.195 -0.322 -4.599
19 HB3 TRP 2 1HB TRP 2 8.981 0.752 -5.294
20 HD1 TRP 2 1HD TRP 2 9.907 3.038 -6.435
21 HE1 TRP 2 1HE TRP 2 12.116 3.511 -7.627
22 HE3 TRP 2 3HE TRP 2 12.633 -0.905 -4.671
23 HZ2 TRP 2 2HZ TRP 2 14.686 2.364 -7.808
24 HZ3 TRP 2 3HZ TRP 2 14.963 -1.142 -5.405
25 HH2 TRP 2 2HH TRP 2 15.965 0.461 -6.944
26 H CYS 3 HN CYS 3 7.661 2.615 -2.915
27 HA CYS 3 HA CYS 3 6.365 0.316 -1.689
28 HB2 CYS 3 2HB CYS 3 6.333 3.150 -0.644
29 HB3 CYS 3 1HB CYS 3 5.523 1.757 0.058
30 H PHE 4 HN PHE 4 4.173 0.319 -1.929
31 HA PHE 4 HA PHE 4 3.134 2.329 -3.733
32 HB2 PHE 4 2HB PHE 4 1.799 0.516 -4.839
33 HB3 PHE 4 1HB PHE 4 3.544 0.390 -5.053
34 HD1 PHE 4 1HD PHE 4 0.626 -1.062 -3.394
35 HD2 PHE 4 2HD PHE 4 4.760 -1.488 -4.236
36 HE1 PHE 4 1HE PHE 4 0.518 -3.368 -2.629
37 HE2 PHE 4 2HE PHE 4 4.671 -3.833 -3.469
38 HZ PHE 4 HZ PHE 4 2.558 -4.780 -2.670
39 H ARG 5 HN ARG 5 1.025 2.912 -3.397
40 HA ARG 5 HA ARG 5 0.143 2.268 -0.690
41 HB2 ARG 5 2HB ARG 5 0.642 4.642 -1.340
42 HB3 ARG 5 1HB ARG 5 -0.718 4.571 -2.443
43 HG2 ARG 5 2HG ARG 5 -2.211 4.171 -0.547
44 HG3 ARG 5 1HG ARG 5 -0.828 4.254 0.548
45 HD2 ARG 5 2HD ARG 5 -0.373 6.549 -0.325
46 HD3 ARG 5 1HD ARG 5 -1.886 6.440 -1.224
47 HE ARG 5 HE ARG 5 -1.875 6.088 1.671
48 HH11 ARG 5 1HH1 ARG 5 -2.973 7.958 -1.150
49 HH12 ARG 5 2HH1 ARG 5 -3.966 8.999 -0.251
50 HH21 ARG 5 1HH2 ARG 5 -3.233 7.522 2.910
51 HH22 ARG 5 2HH2 ARG 5 -4.135 8.732 2.132
52 H VAL 6 HN VAL 6 -1.407 0.872 -0.532
53 HA VAL 6 HA VAL 6 -3.132 0.331 -2.835
54 HB VAL 6 HB VAL 6 -2.636 -1.360 -0.348
55 HG11 VAL 6 1HG1 VAL 6 -3.883 -3.123 -1.504
56 HG12 VAL 6 2HG1 VAL 6 -4.229 -2.016 -2.831
57 HG13 VAL 6 3HG1 VAL 6 -4.898 -1.708 -1.230
58 HG21 VAL 6 1HG2 VAL 6 -0.727 -1.314 -1.792
59 HG22 VAL 6 2HG2 VAL 6 -1.731 -1.720 -3.184
60 HG23 VAL 6 3HG2 VAL 6 -1.517 -2.887 -1.875
61 H CYS 7 HN CYS 7 -5.243 0.839 -2.713
62 HA CYS 7 HA CYS 7 -6.236 1.659 -0.094
63 HB2 CYS 7 2HB CYS 7 -7.156 2.440 -2.866
64 HB3 CYS 7 1HB CYS 7 -7.960 2.911 -1.371
65 H TYR 8 HN TYR 8 -7.710 0.522 0.809
66 HA TYR 8 HA TYR 8 -9.298 -1.343 -0.785
67 HB2 TYR 8 2HB TYR 8 -7.389 -2.507 0.321
68 HB3 TYR 8 1HB TYR 8 -7.966 -1.875 1.863
69 HD1 TYR 8 1HD TYR 8 -9.799 -2.878 3.000
70 HD2 TYR 8 2HD TYR 8 -8.692 -4.230 -0.871
71 HE1 TYR 8 1HE TYR 8 -11.228 -4.812 3.293
72 HE2 TYR 8 2HE TYR 8 -10.129 -6.194 -0.603
73 HH TYR 8 HH TYR 8 -12.413 -6.445 1.865
74 H ARG 9 HN ARG 9 -11.206 -0.344 -0.579
75 HA ARG 9 HA ARG 9 -13.202 0.368 0.301
76 HB2 ARG 9 2HB ARG 9 -12.156 -0.827 2.881
77 HB3 ARG 9 1HB ARG 9 -13.806 -0.301 2.609
78 HG2 ARG 9 2HG ARG 9 -12.404 -2.553 1.180
79 HG3 ARG 9 1HG ARG 9 -13.598 -2.711 2.469
80 HD2 ARG 9 2HD ARG 9 -14.050 -1.529 -0.266
81 HD3 ARG 9 1HD ARG 9 -14.628 -3.086 0.320
82 HE ARG 9 HE ARG 9 -15.564 -1.180 2.074
83 HH11 ARG 9 1HH1 ARG 9 -16.047 -2.069 -1.317
84 HH12 ARG 9 2HH1 ARG 9 -17.595 -1.398 -1.436
85 HH21 ARG 9 1HH2 ARG 9 -17.714 -0.191 1.890
86 HH22 ARG 9 2HH2 ARG 9 -18.530 -0.256 0.404
87 H GLY 10 HN GLY 10 -10.700 1.972 0.471
88 HA2 GLY 10 2HA GLY 10 -10.761 4.327 1.014
89 HA3 GLY 10 1HA GLY 10 -11.689 3.903 2.450
90 H ILE 11 HN ILE 11 -9.828 1.544 2.875
91 HA ILE 11 HA ILE 11 -7.949 2.981 4.484
92 HB ILE 11 HB ILE 11 -8.158 -0.015 3.981
93 HG12 ILE 11 2HG1 ILE 11 -8.935 -0.031 6.448
94 HG13 ILE 11 1HG1 ILE 11 -9.263 1.682 6.224
95 HG21 ILE 11 1HG2 ILE 11 -5.922 0.527 4.625
96 HG22 ILE 11 2HG2 ILE 11 -6.721 -0.302 5.958
97 HG23 ILE 11 3HG2 ILE 11 -6.494 1.448 6.016
98 HD11 ILE 11 1HD1 ILE 11 -10.481 -0.582 4.662
99 HD12 ILE 11 2HD1 ILE 11 -10.858 1.129 4.461
100 HD13 ILE 11 3HD1 ILE 11 -11.260 0.304 5.973
101 H CYS 12 HN CYS 12 -6.488 3.986 3.280
102 HA CYS 12 HA CYS 12 -5.076 2.452 1.240
103 HB2 CYS 12 2HB CYS 12 -4.892 5.414 1.858
104 HB3 CYS 12 1HB CYS 12 -4.117 4.547 0.533
105 H TYR 13 HN TYR 13 -3.194 1.648 1.703
106 HA TYR 13 HA TYR 13 -1.708 2.845 3.902
107 HB2 TYR 13 2HB TYR 13 -1.062 0.575 4.681
108 HB3 TYR 13 1HB TYR 13 -2.781 0.907 4.849
109 HD1 TYR 13 1HD TYR 13 -0.263 -1.140 3.191
110 HD2 TYR 13 2HD TYR 13 -4.409 -0.224 3.401
111 HE1 TYR 13 1HE TYR 13 -0.773 -3.192 1.976
112 HE2 TYR 13 2HE TYR 13 -4.941 -2.263 2.190
113 HH TYR 13 HH TYR 13 -2.566 -4.698 1.630
114 H ARG 14 HN ARG 14 0.498 2.576 3.803
115 HA ARG 14 HA ARG 14 1.470 2.320 1.084
116 HB2 ARG 14 2HB ARG 14 2.172 4.225 2.520
117 HB3 ARG 14 1HB ARG 14 2.942 3.081 3.607
118 HG2 ARG 14 2HG ARG 14 4.376 2.337 1.758
119 HG3 ARG 14 1HG ARG 14 3.669 3.587 0.736
120 HD2 ARG 14 2HD ARG 14 5.751 4.362 1.599
121 HD3 ARG 14 1HD ARG 14 4.459 5.280 2.378
122 HE ARG 14 HE ARG 14 4.846 3.385 4.171
123 HH11 ARG 14 1HH1 ARG 14 7.275 5.284 2.384
124 HH12 ARG 14 2HH1 ARG 14 8.437 5.140 3.618
125 HH21 ARG 14 1HH2 ARG 14 6.476 3.249 5.829
126 HH22 ARG 14 2HH2 ARG 14 7.992 4.002 5.568
127 H LYS 15 HN LYS 15 2.002 0.345 0.432
128 HA LYS 15 HA LYS 15 3.070 -1.525 2.408
129 HB2 LYS 15 2HB LYS 15 0.967 -2.107 1.101
130 HB3 LYS 15 1HB LYS 15 1.965 -2.129 -0.342
131 HG2 LYS 15 2HG LYS 15 3.279 -3.953 0.563
132 HG3 LYS 15 1HG LYS 15 2.342 -3.907 2.060
133 HD2 LYS 15 2HD LYS 15 0.292 -4.365 0.677
134 HD3 LYS 15 1HD LYS 15 1.362 -4.608 -0.698
135 HE2 LYS 15 2HE LYS 15 1.470 -6.171 1.876
136 HE3 LYS 15 1HE LYS 15 0.688 -6.723 0.403
137 HZ1 LYS 15 1HZ LYS 15 2.877 -7.662 0.669
138 HZ2 LYS 15 2HZ LYS 15 3.588 -6.145 0.708
139 HZ3 LYS 15 3HZ LYS 15 2.851 -6.694 -0.696
140 H CYS 16 HN CYS 16 5.145 -2.199 2.126
141 HA CYS 16 HA CYS 16 6.552 -1.091 -0.200
142 HB2 CYS 16 2HB CYS 16 7.579 -1.597 2.596
143 HB3 CYS 16 1HB CYS 16 8.544 -1.012 1.244
144 H ARG 17 HN ARG 17 7.946 -2.374 -1.301
145 HA ARG 17 HA ARG 17 7.607 -5.208 -0.939
146 HB2 ARG 17 2HB ARG 17 9.172 -3.621 -2.970
147 HB3 ARG 17 1HB ARG 17 9.064 -5.376 -2.991
148 HG2 ARG 17 2HG ARG 17 6.633 -5.194 -3.299
149 HG3 ARG 17 1HG ARG 17 6.783 -3.435 -3.306
150 HD2 ARG 17 2HD ARG 17 6.640 -4.297 -5.593
151 HD3 ARG 17 1HD ARG 17 8.210 -3.559 -5.281
152 HE ARG 17 HE ARG 17 8.559 -6.204 -4.742
153 HH11 ARG 17 1HH1 ARG 17 7.380 -4.461 -7.589
154 HH12 ARG 17 2HH1 ARG 17 8.068 -5.514 -8.723
155 HH21 ARG 17 1HH2 ARG 17 9.550 -7.687 -6.346
156 HH22 ARG 17 2HH2 ARG 17 9.302 -7.381 -7.997
157 HN1 NH2 18 1H ARG 17 10.596 -3.439 -1.581
158 HN2 NH2 18 2H ARG 17 11.521 -4.233 -0.356