Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
538529 | 2lr9 RC | 18354 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 1HT PHE 1 4.629 7.374 -6.552
2 H2 PHE 1 2HT PHE 1 3.412 8.298 -5.822
3 H3 PHE 1 3HT PHE 1 3.095 7.469 -7.260
4 HA PHE 1 HA PHE 1 3.305 5.366 -6.187
5 HB2 PHE 1 2HB PHE 1 5.040 5.899 -4.579
6 HB3 PHE 1 1HB PHE 1 3.989 7.049 -3.762
7 HD1 PHE 1 2HD PHE 1 4.126 3.435 -4.675
8 HD2 PHE 1 1HD PHE 1 2.887 6.376 -1.860
9 HE1 PHE 1 2HE PHE 1 3.365 1.657 -3.157
10 HE2 PHE 1 1HE PHE 1 2.124 4.603 -0.336
11 HZ PHE 1 HZ PHE 1 2.361 2.239 -0.986
12 H ASN 2 H ASN 2 1.420 4.415 -5.444
13 HA ASN 2 HA ASN 2 -0.834 6.236 -5.137
14 HB2 ASN 2 2HB ASN 2 -1.023 4.382 -6.755
15 HB3 ASN 2 1HB ASN 2 -0.777 3.223 -5.452
16 HD21 ASN 2 1HD2 ASN 2 -2.739 2.224 -5.728
17 HD22 ASN 2 2HD2 ASN 2 -4.242 2.982 -5.342
18 H TRP 3 H TRP 3 -0.801 6.971 -3.064
19 HA TRP 3 HA TRP 3 -0.142 5.473 -0.788
20 HB2 TRP 3 2HB TRP 3 -1.410 7.304 0.448
21 HB3 TRP 3 1HB TRP 3 -0.083 7.833 -0.580
22 HD1 TRP 3 HD TRP 3 -0.711 9.220 -2.781
23 HE1 TRP 3 1HE TRP 3 -2.832 10.508 -3.456
24 HE3 TRP 3 3HE TRP 3 -3.971 7.280 0.652
25 HZ2 TRP 3 2HZ TRP 3 -5.529 10.682 -2.643
26 HZ3 TRP 3 3HZ TRP 3 -6.302 8.065 0.635
27 HH2 TRP 3 HH TRP 3 -7.063 9.732 -0.978
28 H ARG 4 H ARG 4 -2.994 5.584 -2.667
29 HA ARG 4 HA ARG 4 -4.894 4.792 -0.760
30 HB2 ARG 4 2HB ARG 4 -4.710 4.753 -3.718
31 HB3 ARG 4 1HB ARG 4 -5.918 3.719 -2.976
32 HG2 ARG 4 2HG ARG 4 -7.030 5.565 -1.999
33 HG3 ARG 4 1HG ARG 4 -5.688 6.651 -2.364
34 HD2 ARG 4 2HD ARG 4 -6.124 6.242 -4.790
35 HD3 ARG 4 1HD ARG 4 -7.570 5.350 -4.323
36 HE ARG 4 HE ARG 4 -8.302 7.495 -3.250
37 HH11 ARG 4 1HH1 ARG 4 -6.062 7.476 -5.933
38 HH12 ARG 4 2HH1 ARG 4 -6.509 9.053 -6.493
39 HH21 ARG 4 1HH2 ARG 4 -8.897 9.589 -3.974
40 HH22 ARG 4 2HH2 ARG 4 -8.128 10.261 -5.372
41 H CYS 5 H CYS 5 -2.423 3.120 -2.357
42 HA CYS 5 HA CYS 5 -3.348 0.478 -2.226
43 HB2 CYS 5 2HB CYS 5 -0.663 1.770 -2.318
44 HB3 CYS 5 1HB CYS 5 -0.747 0.062 -1.900
45 H CYS 6 H CYS 6 -1.976 2.615 0.167
46 HA CYS 6 HA CYS 6 -1.425 0.581 2.102
47 HB2 CYS 6 2HB CYS 6 -1.927 3.474 2.769
48 HB3 CYS 6 1HB CYS 6 -0.844 2.327 3.557
49 H LEU 7 H LEU 7 -4.272 2.003 0.998
50 HA LEU 7 HA LEU 7 -5.729 1.450 3.463
51 HB2 LEU 7 2HB LEU 7 -6.779 2.554 0.857
52 HB3 LEU 7 1HB LEU 7 -7.624 2.521 2.393
53 HG LEU 7 HG LEU 7 -5.108 4.111 1.885
54 HD11 LEU 7 1HD1 LEU 7 -6.566 6.068 1.809
55 HD12 LEU 7 2HD1 LEU 7 -7.982 5.021 1.918
56 HD13 LEU 7 3HD1 LEU 7 -6.933 4.941 0.502
57 HD21 LEU 7 3HD2 LEU 7 -5.452 3.514 4.222
58 HD22 LEU 7 1HD2 LEU 7 -7.095 4.152 4.155
59 HD23 LEU 7 2HD2 LEU 7 -5.719 5.239 3.970
60 H ILE 8 H ILE 8 -4.795 -0.024 0.646
61 HA ILE 8 HA ILE 8 -7.020 -1.958 0.706
62 HB ILE 8 HB ILE 8 -5.033 -1.470 -1.527
63 HG12 ILE 8 2HG1 ILE 8 -6.563 0.433 -1.263
64 HG13 ILE 8 1HG1 ILE 8 -6.907 -0.451 -2.745
65 HG21 ILE 8 1HG2 ILE 8 -7.511 -3.188 -1.433
66 HG22 ILE 8 2HG2 ILE 8 -5.844 -3.760 -1.473
67 HG23 ILE 8 3HG2 ILE 8 -6.515 -2.900 -2.859
68 HD11 ILE 8 3HD1 ILE 8 -8.952 0.211 -1.631
69 HD12 ILE 8 1HD1 ILE 8 -8.454 -0.641 -0.170
70 HD13 ILE 8 2HD1 ILE 8 -8.797 -1.546 -1.645
71 HA PRO 9 HA PRO 9 -4.050 -4.481 2.982
72 HB2 PRO 9 2HB PRO 9 -6.073 -6.482 2.065
73 HB3 PRO 9 1HB PRO 9 -5.335 -6.279 3.658
74 HG2 PRO 9 2HG PRO 9 -7.804 -5.412 3.204
75 HG3 PRO 9 1HG PRO 9 -6.680 -4.463 4.194
76 HD2 PRO 9 2HD PRO 9 -7.611 -3.994 1.407
77 HD3 PRO 9 1HD PRO 9 -7.160 -2.822 2.662
78 H ALA 10 H ALA 10 -5.348 -5.345 -0.200
79 HA ALA 10 HA ALA 10 -3.441 -7.361 -0.769
80 HB1 ALA 10 1HB ALA 10 -4.262 -7.238 -3.051
81 HB2 ALA 10 2HB ALA 10 -5.082 -5.718 -2.691
82 HB3 ALA 10 3HB ALA 10 -5.604 -7.210 -1.906
83 H CYS 11 H CYS 11 -3.489 -3.873 -1.366
84 HA CYS 11 HA CYS 11 -1.019 -4.062 -2.904
85 HB2 CYS 11 2HB CYS 11 -3.069 -2.454 -3.332
86 HB3 CYS 11 1HB CYS 11 -2.252 -1.441 -2.146
87 H ARG 12 H ARG 12 -2.179 -3.030 0.225
88 HA ARG 12 HA ARG 12 0.145 -1.690 1.110
89 HB2 ARG 12 2HB ARG 12 -2.116 -1.573 2.165
90 HB3 ARG 12 1HB ARG 12 -1.874 -3.193 2.776
91 HG2 ARG 12 2HG ARG 12 -0.007 -2.461 4.118
92 HG3 ARG 12 1HG ARG 12 -0.132 -0.834 3.445
93 HD2 ARG 12 2HD ARG 12 -1.149 -0.974 5.667
94 HD3 ARG 12 1HD ARG 12 -2.339 -0.576 4.429
95 HE ARG 12 HE ARG 12 -2.029 -3.315 5.474
96 HH11 ARG 12 1HH1 ARG 12 -4.018 -0.557 4.641
97 HH12 ARG 12 2HH1 ARG 12 -5.510 -1.352 5.034
98 HH21 ARG 12 1HH2 ARG 12 -3.998 -4.370 5.998
99 HH22 ARG 12 2HH2 ARG 12 -5.497 -3.523 5.812
100 H ARG 13 H ARG 13 -0.798 -5.023 0.987
101 HA ARG 13 HA ARG 13 1.128 -6.105 2.730
102 HB2 ARG 13 2HB ARG 13 -0.819 -7.372 1.971
103 HB3 ARG 13 1HB ARG 13 -0.226 -7.335 0.320
104 HG2 ARG 13 2HG ARG 13 0.150 -9.504 1.349
105 HG3 ARG 13 1HG ARG 13 1.677 -8.715 0.956
106 HD2 ARG 13 2HD ARG 13 0.621 -8.227 3.669
107 HD3 ARG 13 1HD ARG 13 1.161 -9.871 3.330
108 HE ARG 13 HE ARG 13 3.014 -7.780 2.562
109 HH11 ARG 13 1HH1 ARG 13 2.026 -10.016 5.070
110 HH12 ARG 13 2HH1 ARG 13 3.566 -10.016 5.860
111 HH21 ARG 13 1HH2 ARG 13 5.047 -7.776 3.595
112 HH22 ARG 13 2HH2 ARG 13 5.296 -8.735 5.016
113 H ASN 14 H ASN 14 1.244 -5.220 -0.651
114 HA ASN 14 HA ASN 14 3.912 -6.328 -0.986
115 HB2 ASN 14 2HB ASN 14 2.508 -6.611 -2.882
116 HB3 ASN 14 1HB ASN 14 1.980 -4.934 -2.837
117 HD21 ASN 14 1HD2 ASN 14 4.588 -7.096 -3.665
118 HD22 ASN 14 2HD2 ASN 14 5.444 -5.987 -4.675
119 H HIS 15 H HIS 15 2.380 -3.291 -0.339
120 HA HIS 15 HA HIS 15 4.965 -1.918 -0.688
121 HB2 HIS 15 2HB HIS 15 2.159 -0.789 -0.717
122 HB3 HIS 15 1HB HIS 15 3.623 0.188 -0.774
123 HD1 HIS 15 1HD HIS 15 5.217 -0.361 -2.936
124 HD2 HIS 15 2HD HIS 15 1.250 -1.569 -3.148
125 HE1 HIS 15 1HE HIS 15 4.763 -0.751 -5.375
126 HE2 HIS 15 2HE HIS 15 2.432 -1.702 -5.441
127 H LYS 16 H LYS 16 4.387 -3.492 1.586
128 HA LYS 16 HA LYS 16 3.465 -1.964 3.769
129 HB2 LYS 16 2HB LYS 16 3.596 -4.425 3.796
130 HB3 LYS 16 1HB LYS 16 5.352 -4.328 3.773
131 HG2 LYS 16 2HG LYS 16 4.519 -4.788 6.011
132 HG3 LYS 16 1HG LYS 16 5.332 -3.223 5.945
133 HD2 LYS 16 2HD LYS 16 2.853 -2.393 5.455
134 HD3 LYS 16 1HD LYS 16 2.459 -3.863 6.350
135 HE2 LYS 16 2HE LYS 16 2.561 -2.122 7.949
136 HE3 LYS 16 1HE LYS 16 4.044 -3.055 8.139
137 HZ1 LYS 16 3HZ LYS 16 5.080 -1.331 6.605
138 HZ2 LYS 16 1HZ LYS 16 4.707 -0.828 8.180
139 HZ3 LYS 16 2HZ LYS 16 3.701 -0.391 6.891
140 H LYS 17 H LYS 17 6.474 -2.029 2.104
141 HA LYS 17 HA LYS 17 8.047 -0.930 4.223
142 HB2 LYS 17 2HB LYS 17 8.461 -1.406 1.299
143 HB3 LYS 17 1HB LYS 17 9.569 -0.348 2.160
144 HG2 LYS 17 2HG LYS 17 10.032 -2.188 3.747
145 HG3 LYS 17 1HG LYS 17 8.992 -3.238 2.781
146 HD2 LYS 17 2HD LYS 17 10.449 -2.989 0.870
147 HD3 LYS 17 1HD LYS 17 11.442 -1.819 1.740
148 HE2 LYS 17 2HE LYS 17 12.055 -3.549 3.359
149 HE3 LYS 17 1HE LYS 17 11.059 -4.717 2.491
150 HZ1 LYS 17 3HZ LYS 17 13.370 -4.953 1.882
151 HZ2 LYS 17 1HZ LYS 17 13.457 -3.327 1.420
152 HZ3 LYS 17 2HZ LYS 17 12.486 -4.404 0.549
153 H PHE 18 H PHE 18 6.192 0.343 1.557
154 HA PHE 18 HA PHE 18 7.129 3.039 1.889
155 HB2 PHE 18 2HB PHE 18 4.806 1.908 0.314
156 HB3 PHE 18 1HB PHE 18 5.316 3.592 0.265
157 HD1 PHE 18 1HD PHE 18 7.442 4.214 -0.773
158 HD2 PHE 18 2HD PHE 18 6.022 0.203 -0.835
159 HE1 PHE 18 1HE PHE 18 9.036 3.681 -2.569
160 HE2 PHE 18 2HE PHE 18 7.616 -0.339 -2.630
161 HZ PHE 18 HZ PHE 18 9.126 1.402 -3.499
162 H CYS 19 H CYS 19 4.191 1.232 2.686
163 HA CYS 19 HA CYS 19 3.130 3.549 4.094
164 HB2 CYS 19 2HB CYS 19 1.771 0.873 4.041
165 HB3 CYS 19 1HB CYS 19 1.064 2.480 4.118
166 HN1 NH2 20 1H CYS 19 4.755 3.605 5.705
167 HN2 NH2 20 2H CYS 19 4.720 2.514 7.044
Start of MODEL 2
1 H1 PHE 1 1HT PHE 1 3.290 8.569 -5.491
2 H2 PHE 1 2HT PHE 1 3.113 7.791 -6.980
3 H3 PHE 1 3HT PHE 1 4.607 7.764 -6.187
4 HA PHE 1 HA PHE 1 3.410 5.657 -5.988
5 HB2 PHE 1 2HB PHE 1 5.004 6.250 -4.254
6 HB3 PHE 1 1HB PHE 1 3.811 7.263 -3.449
7 HD1 PHE 1 2HD PHE 1 4.387 3.732 -4.490
8 HD2 PHE 1 1HD PHE 1 2.578 6.394 -1.704
9 HE1 PHE 1 2HE PHE 1 3.688 1.815 -3.116
10 HE2 PHE 1 1HE PHE 1 1.877 4.480 -0.326
11 HZ PHE 1 HZ PHE 1 2.431 2.188 -1.032
12 H ASN 2 H ASN 2 1.562 4.538 -5.355
13 HA ASN 2 HA ASN 2 -0.839 6.173 -5.184
14 HB2 ASN 2 2HB ASN 2 -0.808 4.309 -6.786
15 HB3 ASN 2 1HB ASN 2 -0.511 3.174 -5.471
16 HD21 ASN 2 1HD2 ASN 2 -2.389 2.030 -5.976
17 HD22 ASN 2 2HD2 ASN 2 -3.959 2.641 -5.594
18 H TRP 3 H TRP 3 -0.900 6.943 -3.121
19 HA TRP 3 HA TRP 3 -0.293 5.516 -0.793
20 HB2 TRP 3 2HB TRP 3 -1.582 7.304 0.384
21 HB3 TRP 3 1HB TRP 3 -0.375 7.919 -0.739
22 HD1 TRP 3 HD TRP 3 -1.307 9.037 -3.036
23 HE1 TRP 3 1HE TRP 3 -3.562 10.157 -3.564
24 HE3 TRP 3 3HE TRP 3 -4.047 7.244 0.892
25 HZ2 TRP 3 2HZ TRP 3 -6.156 10.269 -2.462
26 HZ3 TRP 3 3HZ TRP 3 -6.408 7.909 1.083
27 HH2 TRP 3 HH TRP 3 -7.439 9.391 -0.560
28 H ARG 4 H ARG 4 -3.086 5.486 -2.785
29 HA ARG 4 HA ARG 4 -4.999 4.627 -0.926
30 HB2 ARG 4 2HB ARG 4 -4.749 4.573 -3.875
31 HB3 ARG 4 1HB ARG 4 -5.908 3.468 -3.158
32 HG2 ARG 4 2HG ARG 4 -5.864 6.441 -2.678
33 HG3 ARG 4 1HG ARG 4 -6.883 5.632 -3.870
34 HD2 ARG 4 2HD ARG 4 -6.936 5.240 -0.880
35 HD3 ARG 4 1HD ARG 4 -8.157 6.052 -1.858
36 HE ARG 4 HE ARG 4 -7.885 3.470 -2.854
37 HH11 ARG 4 1HH1 ARG 4 -8.943 5.030 0.090
38 HH12 ARG 4 2HH1 ARG 4 -10.035 3.760 0.529
39 HH21 ARG 4 1HH2 ARG 4 -9.330 1.782 -2.283
40 HH22 ARG 4 2HH2 ARG 4 -10.254 1.906 -0.824
41 H CYS 5 H CYS 5 -2.431 3.021 -2.451
42 HA CYS 5 HA CYS 5 -3.277 0.352 -2.269
43 HB2 CYS 5 2HB CYS 5 -0.632 1.721 -2.375
44 HB3 CYS 5 1HB CYS 5 -0.669 0.020 -1.922
45 H CYS 6 H CYS 6 -1.978 2.581 0.083
46 HA CYS 6 HA CYS 6 -1.411 0.567 2.057
47 HB2 CYS 6 2HB CYS 6 -1.861 3.474 2.689
48 HB3 CYS 6 1HB CYS 6 -0.765 2.326 3.457
49 H LEU 7 H LEU 7 -4.223 1.994 0.914
50 HA LEU 7 HA LEU 7 -5.690 1.479 3.395
51 HB2 LEU 7 2HB LEU 7 -6.568 2.836 0.842
52 HB3 LEU 7 1HB LEU 7 -7.576 2.616 2.261
53 HG LEU 7 HG LEU 7 -5.051 4.272 2.142
54 HD11 LEU 7 1HD1 LEU 7 -6.554 6.178 2.398
55 HD12 LEU 7 2HD1 LEU 7 -7.945 5.097 2.316
56 HD13 LEU 7 3HD1 LEU 7 -6.892 5.287 0.914
57 HD21 LEU 7 3HD2 LEU 7 -5.678 5.006 4.386
58 HD22 LEU 7 1HD2 LEU 7 -5.395 3.266 4.339
59 HD23 LEU 7 2HD2 LEU 7 -7.043 3.889 4.375
60 H ILE 8 H ILE 8 -4.672 -0.136 0.796
61 HA ILE 8 HA ILE 8 -7.019 -1.924 0.744
62 HB ILE 8 HB ILE 8 -5.041 -1.461 -1.505
63 HG12 ILE 8 2HG1 ILE 8 -7.969 -0.710 -1.422
64 HG13 ILE 8 1HG1 ILE 8 -6.670 0.422 -1.063
65 HG21 ILE 8 1HG2 ILE 8 -6.559 -2.867 -2.828
66 HG22 ILE 8 2HG2 ILE 8 -7.543 -3.146 -1.391
67 HG23 ILE 8 3HG2 ILE 8 -5.884 -3.742 -1.452
68 HD11 ILE 8 3HD1 ILE 8 -7.460 0.674 -3.344
69 HD12 ILE 8 1HD1 ILE 8 -7.082 -1.017 -3.673
70 HD13 ILE 8 2HD1 ILE 8 -5.785 0.122 -3.314
71 HA PRO 9 HA PRO 9 -4.077 -4.485 3.032
72 HB2 PRO 9 2HB PRO 9 -6.160 -6.436 2.130
73 HB3 PRO 9 1HB PRO 9 -5.390 -6.264 3.713
74 HG2 PRO 9 2HG PRO 9 -7.836 -5.318 3.305
75 HG3 PRO 9 1HG PRO 9 -6.668 -4.408 4.280
76 HD2 PRO 9 2HD PRO 9 -7.643 -3.891 1.519
77 HD3 PRO 9 1HD PRO 9 -7.111 -2.744 2.764
78 H ALA 10 H ALA 10 -5.364 -5.296 -0.165
79 HA ALA 10 HA ALA 10 -3.511 -7.379 -0.700
80 HB1 ALA 10 1HB ALA 10 -4.310 -7.249 -2.992
81 HB2 ALA 10 2HB ALA 10 -5.105 -5.714 -2.643
82 HB3 ALA 10 3HB ALA 10 -5.659 -7.192 -1.856
83 H CYS 11 H CYS 11 -3.508 -3.901 -1.383
84 HA CYS 11 HA CYS 11 -0.998 -4.156 -2.848
85 HB2 CYS 11 2HB CYS 11 -3.008 -2.577 -3.431
86 HB3 CYS 11 1HB CYS 11 -2.286 -1.520 -2.223
87 H ARG 12 H ARG 12 -2.222 -3.087 0.230
88 HA ARG 12 HA ARG 12 0.024 -1.639 1.131
89 HB2 ARG 12 2HB ARG 12 -2.192 -1.570 2.205
90 HB3 ARG 12 1HB ARG 12 -1.987 -3.221 2.735
91 HG2 ARG 12 2HG ARG 12 0.160 -2.311 3.886
92 HG3 ARG 12 1HG ARG 12 -0.644 -0.749 3.714
93 HD2 ARG 12 2HD ARG 12 -1.885 -3.169 5.017
94 HD3 ARG 12 1HD ARG 12 -1.064 -1.880 5.897
95 HE ARG 12 HE ARG 12 -2.887 -0.498 4.514
96 HH11 ARG 12 1HH1 ARG 12 -3.199 -3.406 6.442
97 HH12 ARG 12 2HH1 ARG 12 -4.834 -3.078 6.902
98 HH21 ARG 12 1HH2 ARG 12 -5.029 -0.059 5.109
99 HH22 ARG 12 2HH2 ARG 12 -5.887 -1.162 6.137
100 H ARG 13 H ARG 13 -0.790 -5.027 1.131
101 HA ARG 13 HA ARG 13 1.261 -5.929 2.852
102 HB2 ARG 13 2HB ARG 13 -0.725 -7.270 2.228
103 HB3 ARG 13 1HB ARG 13 -0.092 -7.422 0.597
104 HG2 ARG 13 2HG ARG 13 1.812 -8.668 1.409
105 HG3 ARG 13 1HG ARG 13 1.277 -8.445 3.076
106 HD2 ARG 13 2HD ARG 13 -0.381 -9.826 0.976
107 HD3 ARG 13 1HD ARG 13 0.739 -10.679 2.038
108 HE ARG 13 HE ARG 13 -0.817 -9.280 3.760
109 HH11 ARG 13 1HH1 ARG 13 -1.521 -11.481 1.138
110 HH12 ARG 13 2HH1 ARG 13 -2.978 -12.084 1.855
111 HH21 ARG 13 1HH2 ARG 13 -2.744 -10.072 4.723
112 HH22 ARG 13 2HH2 ARG 13 -3.678 -11.277 3.903
113 H ASN 14 H ASN 14 1.191 -5.128 -0.530
114 HA ASN 14 HA ASN 14 3.811 -6.287 -1.026
115 HB2 ASN 14 2HB ASN 14 2.276 -6.518 -2.836
116 HB3 ASN 14 1HB ASN 14 1.824 -4.819 -2.764
117 HD21 ASN 14 1HD2 ASN 14 4.309 -7.085 -3.706
118 HD22 ASN 14 2HD2 ASN 14 5.148 -6.017 -4.771
119 H HIS 15 H HIS 15 2.373 -3.216 -0.311
120 HA HIS 15 HA HIS 15 4.987 -1.916 -0.707
121 HB2 HIS 15 2HB HIS 15 2.214 -0.707 -0.710
122 HB3 HIS 15 1HB HIS 15 3.703 0.228 -0.780
123 HD1 HIS 15 1HD HIS 15 5.233 -0.265 -2.967
124 HD2 HIS 15 2HD HIS 15 1.287 -1.552 -3.122
125 HE1 HIS 15 1HE HIS 15 4.752 -0.664 -5.400
126 HE2 HIS 15 2HE HIS 15 2.441 -1.663 -5.431
127 H LYS 16 H LYS 16 4.336 -3.487 1.566
128 HA LYS 16 HA LYS 16 3.490 -1.927 3.758
129 HB2 LYS 16 2HB LYS 16 3.521 -4.405 3.743
130 HB3 LYS 16 1HB LYS 16 5.278 -4.366 3.772
131 HG2 LYS 16 2HG LYS 16 4.351 -4.813 5.980
132 HG3 LYS 16 1HG LYS 16 5.241 -3.290 5.950
133 HD2 LYS 16 2HD LYS 16 2.805 -2.355 5.382
134 HD3 LYS 16 1HD LYS 16 2.339 -3.794 6.291
135 HE2 LYS 16 2HE LYS 16 2.484 -2.056 7.879
136 HE3 LYS 16 1HE LYS 16 3.947 -3.017 8.086
137 HZ1 LYS 16 3HZ LYS 16 3.661 -0.355 6.821
138 HZ2 LYS 16 1HZ LYS 16 5.016 -1.330 6.529
139 HZ3 LYS 16 2HZ LYS 16 4.668 -0.814 8.103
140 H LYS 17 H LYS 17 6.462 -2.086 2.064
141 HA LYS 17 HA LYS 17 8.085 -1.062 4.197
142 HB2 LYS 17 2HB LYS 17 8.481 -1.830 1.377
143 HB3 LYS 17 1HB LYS 17 9.531 -0.547 1.959
144 HG2 LYS 17 2HG LYS 17 10.234 -2.010 3.818
145 HG3 LYS 17 1HG LYS 17 9.238 -3.301 3.142
146 HD2 LYS 17 2HD LYS 17 10.568 -3.349 1.139
147 HD3 LYS 17 1HD LYS 17 11.480 -1.931 1.661
148 HE2 LYS 17 2HE LYS 17 11.434 -4.573 3.115
149 HE3 LYS 17 1HE LYS 17 12.692 -4.075 1.984
150 HZ1 LYS 17 3HZ LYS 17 13.378 -3.647 4.240
151 HZ2 LYS 17 1HZ LYS 17 11.993 -2.720 4.534
152 HZ3 LYS 17 2HZ LYS 17 13.158 -2.176 3.435
153 H PHE 18 H PHE 18 6.143 0.259 1.664
154 HA PHE 18 HA PHE 18 7.280 2.915 1.962
155 HB2 PHE 18 2HB PHE 18 6.237 1.685 -0.197
156 HB3 PHE 18 1HB PHE 18 4.797 2.512 0.386
157 HD1 PHE 18 2HD PHE 18 5.076 5.052 0.895
158 HD2 PHE 18 1HD PHE 18 7.712 2.797 -1.569
159 HE1 PHE 18 2HE PHE 18 5.840 7.128 -0.180
160 HE2 PHE 18 1HE PHE 18 8.483 4.870 -2.648
161 HZ PHE 18 HZ PHE 18 7.546 7.039 -1.954
162 H CYS 19 H CYS 19 4.276 1.184 2.657
163 HA CYS 19 HA CYS 19 3.172 3.553 3.944
164 HB2 CYS 19 2HB CYS 19 1.834 0.857 3.901
165 HB3 CYS 19 1HB CYS 19 1.102 2.451 3.994
166 HN1 NH2 20 1H CYS 19 4.670 3.710 5.641
167 HN2 NH2 20 2H CYS 19 4.605 2.656 7.008
Start of MODEL 3
1 H1 PHE 1 1HT PHE 1 3.910 7.970 -4.177
2 H2 PHE 1 2HT PHE 1 3.642 8.182 -5.831
3 H3 PHE 1 3HT PHE 1 5.103 7.523 -5.290
4 HA PHE 1 HA PHE 1 3.629 5.835 -6.203
5 HB2 PHE 1 2HB PHE 1 3.736 4.272 -4.301
6 HB3 PHE 1 1HB PHE 1 5.228 5.188 -4.460
7 HD1 PHE 1 1HD PHE 1 5.763 6.972 -2.840
8 HD2 PHE 1 2HD PHE 1 2.365 4.452 -2.363
9 HE1 PHE 1 1HE PHE 1 5.606 7.637 -0.475
10 HE2 PHE 1 2HE PHE 1 2.200 5.118 -0.000
11 HZ PHE 1 HZ PHE 1 3.821 6.712 0.946
12 H ASN 2 H ASN 2 1.784 4.323 -5.263
13 HA ASN 2 HA ASN 2 -0.543 6.052 -5.033
14 HB2 ASN 2 2HB ASN 2 -0.562 4.212 -6.683
15 HB3 ASN 2 1HB ASN 2 -0.364 3.046 -5.378
16 HD21 ASN 2 1HD2 ASN 2 -2.244 1.962 -5.563
17 HD22 ASN 2 2HD2 ASN 2 -3.803 2.675 -5.350
18 H TRP 3 H TRP 3 -0.518 6.769 -2.938
19 HA TRP 3 HA TRP 3 -0.043 5.202 -0.660
20 HB2 TRP 3 2HB TRP 3 -1.238 7.065 0.560
21 HB3 TRP 3 1HB TRP 3 0.104 7.577 -0.456
22 HD1 TRP 3 HD TRP 3 -0.481 9.008 -2.640
23 HE1 TRP 3 1HE TRP 3 -2.570 10.354 -3.306
24 HE3 TRP 3 3HE TRP 3 -3.798 7.097 0.753
25 HZ2 TRP 3 2HZ TRP 3 -5.264 10.580 -2.501
26 HZ3 TRP 3 3HZ TRP 3 -6.111 7.935 0.738
27 HH2 TRP 3 HH TRP 3 -6.827 9.640 -0.856
28 H ARG 4 H ARG 4 -2.762 5.435 -2.701
29 HA ARG 4 HA ARG 4 -4.817 4.729 -0.934
30 HB2 ARG 4 2HB ARG 4 -4.420 4.603 -3.876
31 HB3 ARG 4 1HB ARG 4 -5.744 3.679 -3.188
32 HG2 ARG 4 2HG ARG 4 -6.881 5.573 -2.506
33 HG3 ARG 4 1HG ARG 4 -5.421 6.565 -2.498
34 HD2 ARG 4 2HD ARG 4 -6.809 7.199 -4.366
35 HD3 ARG 4 1HD ARG 4 -5.344 6.419 -4.959
36 HE ARG 4 HE ARG 4 -7.971 5.080 -4.801
37 HH11 ARG 4 1HH1 ARG 4 -4.875 5.603 -6.350
38 HH12 ARG 4 2HH1 ARG 4 -5.227 4.573 -7.700
39 HH21 ARG 4 1HH2 ARG 4 -8.440 3.699 -6.573
40 HH22 ARG 4 2HH2 ARG 4 -7.262 3.483 -7.825
41 H CYS 5 H CYS 5 -2.334 2.945 -2.414
42 HA CYS 5 HA CYS 5 -3.362 0.340 -2.277
43 HB2 CYS 5 2HB CYS 5 -0.635 1.539 -2.318
44 HB3 CYS 5 1HB CYS 5 -0.782 -0.159 -1.878
45 H CYS 6 H CYS 6 -2.000 2.458 0.125
46 HA CYS 6 HA CYS 6 -1.539 0.436 2.102
47 HB2 CYS 6 2HB CYS 6 -1.993 3.329 2.768
48 HB3 CYS 6 1HB CYS 6 -0.887 2.173 3.508
49 H LEU 7 H LEU 7 -4.328 1.945 0.934
50 HA LEU 7 HA LEU 7 -5.837 1.465 3.385
51 HB2 LEU 7 2HB LEU 7 -6.788 2.590 0.749
52 HB3 LEU 7 1HB LEU 7 -7.687 2.575 2.254
53 HG LEU 7 HG LEU 7 -5.114 4.097 1.835
54 HD11 LEU 7 1HD1 LEU 7 -6.865 5.003 0.415
55 HD12 LEU 7 2HD1 LEU 7 -6.525 6.095 1.759
56 HD13 LEU 7 3HD1 LEU 7 -7.965 5.077 1.793
57 HD21 LEU 7 3HD2 LEU 7 -7.154 4.160 4.055
58 HD22 LEU 7 1HD2 LEU 7 -5.752 5.222 3.915
59 HD23 LEU 7 2HD2 LEU 7 -5.526 3.488 4.154
60 H ILE 8 H ILE 8 -4.842 -0.153 0.713
61 HA ILE 8 HA ILE 8 -7.143 -2.000 0.744
62 HB ILE 8 HB ILE 8 -5.124 -1.653 -1.485
63 HG12 ILE 8 2HG1 ILE 8 -7.997 -0.718 -1.474
64 HG13 ILE 8 1HG1 ILE 8 -6.641 0.339 -1.092
65 HG21 ILE 8 1HG2 ILE 8 -6.713 -2.986 -2.797
66 HG22 ILE 8 2HG2 ILE 8 -7.734 -3.162 -1.369
67 HG23 ILE 8 3HG2 ILE 8 -6.119 -3.872 -1.391
68 HD11 ILE 8 3HD1 ILE 8 -5.718 -0.034 -3.313
69 HD12 ILE 8 1HD1 ILE 8 -7.360 0.602 -3.398
70 HD13 ILE 8 2HD1 ILE 8 -7.062 -1.111 -3.695
71 HA PRO 9 HA PRO 9 -4.210 -4.562 3.038
72 HB2 PRO 9 2HB PRO 9 -6.300 -6.536 2.220
73 HB3 PRO 9 1HB PRO 9 -5.537 -6.293 3.797
74 HG2 PRO 9 2HG PRO 9 -7.989 -5.389 3.353
75 HG3 PRO 9 1HG PRO 9 -6.826 -4.420 4.276
76 HD2 PRO 9 2HD PRO 9 -7.776 -4.076 1.469
77 HD3 PRO 9 1HD PRO 9 -7.335 -2.847 2.672
78 H ALA 10 H ALA 10 -5.511 -5.278 -0.148
79 HA ALA 10 HA ALA 10 -3.736 -7.435 -0.709
80 HB1 ALA 10 1HB ALA 10 -5.892 -7.185 -1.841
81 HB2 ALA 10 2HB ALA 10 -4.555 -7.267 -2.990
82 HB3 ALA 10 3HB ALA 10 -5.307 -5.714 -2.621
83 H CYS 11 H CYS 11 -3.610 -3.950 -1.250
84 HA CYS 11 HA CYS 11 -1.130 -4.259 -2.770
85 HB2 CYS 11 2HB CYS 11 -3.132 -2.669 -3.369
86 HB3 CYS 11 1HB CYS 11 -2.378 -1.598 -2.193
87 H ARG 12 H ARG 12 -2.320 -3.163 0.313
88 HA ARG 12 HA ARG 12 -0.133 -1.637 1.174
89 HB2 ARG 12 2HB ARG 12 -2.280 -1.692 2.348
90 HB3 ARG 12 1HB ARG 12 -2.007 -3.355 2.803
91 HG2 ARG 12 2HG ARG 12 0.116 -2.499 3.955
92 HG3 ARG 12 1HG ARG 12 -0.616 -0.903 3.794
93 HD2 ARG 12 2HD ARG 12 -2.120 -3.191 5.018
94 HD3 ARG 12 1HD ARG 12 -0.998 -2.223 5.973
95 HE ARG 12 HE ARG 12 -2.948 -0.672 4.514
96 HH11 ARG 12 1HH1 ARG 12 -2.304 -2.391 7.500
97 HH12 ARG 12 2HH1 ARG 12 -3.451 -1.475 8.421
98 HH21 ARG 12 1HH2 ARG 12 -4.455 0.532 5.721
99 HH22 ARG 12 2HH2 ARG 12 -4.681 0.189 7.409
100 H ARG 13 H ARG 13 -0.746 -5.078 1.256
101 HA ARG 13 HA ARG 13 1.461 -5.802 2.874
102 HB2 ARG 13 2HB ARG 13 -0.184 -7.357 0.883
103 HB3 ARG 13 1HB ARG 13 1.120 -8.087 1.811
104 HG2 ARG 13 2HG ARG 13 -0.040 -7.456 3.890
105 HG3 ARG 13 1HG ARG 13 -1.365 -6.802 2.926
106 HD2 ARG 13 2HD ARG 13 -0.425 -9.667 2.966
107 HD3 ARG 13 1HD ARG 13 -1.896 -9.042 3.711
108 HE ARG 13 HE ARG 13 -1.716 -8.529 0.887
109 HH11 ARG 13 1HH1 ARG 13 -2.735 -10.817 3.326
110 HH12 ARG 13 2HH1 ARG 13 -3.854 -11.630 2.285
111 HH21 ARG 13 1HH2 ARG 13 -3.185 -9.600 -0.502
112 HH22 ARG 13 2HH2 ARG 13 -4.111 -10.935 0.098
113 H ASN 14 H ASN 14 1.179 -5.026 -0.490
114 HA ASN 14 HA ASN 14 3.768 -6.186 -1.142
115 HB2 ASN 14 2HB ASN 14 2.071 -6.419 -2.834
116 HB3 ASN 14 1HB ASN 14 1.719 -4.697 -2.794
117 HD21 ASN 14 1HD2 ASN 14 4.010 -7.128 -3.802
118 HD22 ASN 14 2HD2 ASN 14 4.849 -6.139 -4.942
119 H HIS 15 H HIS 15 2.355 -3.116 -0.363
120 HA HIS 15 HA HIS 15 4.951 -1.829 -0.888
121 HB2 HIS 15 2HB HIS 15 2.183 -0.605 -0.860
122 HB3 HIS 15 1HB HIS 15 3.676 0.320 -0.994
123 HD1 HIS 15 1HD HIS 15 5.195 -0.408 -3.181
124 HD2 HIS 15 2HD HIS 15 1.157 -1.367 -3.244
125 HE1 HIS 15 1HE HIS 15 4.651 -0.859 -5.590
126 HE2 HIS 15 2HE HIS 15 2.268 -1.672 -5.558
127 H LYS 16 H LYS 16 4.391 -3.337 1.424
128 HA LYS 16 HA LYS 16 3.579 -1.786 3.625
129 HB2 LYS 16 2HB LYS 16 3.720 -4.251 3.654
130 HB3 LYS 16 1HB LYS 16 5.472 -4.147 3.568
131 HG2 LYS 16 2HG LYS 16 4.720 -4.601 5.836
132 HG3 LYS 16 1HG LYS 16 5.528 -3.036 5.734
133 HD2 LYS 16 2HD LYS 16 3.035 -2.210 5.327
134 HD3 LYS 16 1HD LYS 16 2.671 -3.678 6.237
135 HE2 LYS 16 2HE LYS 16 2.828 -1.945 7.834
136 HE3 LYS 16 1HE LYS 16 4.327 -2.863 7.964
137 HZ1 LYS 16 3HZ LYS 16 3.902 -0.192 6.767
138 HZ2 LYS 16 1HZ LYS 16 5.260 -1.122 6.367
139 HZ3 LYS 16 2HZ LYS 16 4.998 -0.652 7.970
140 H LYS 17 H LYS 17 6.481 -1.814 1.815
141 HA LYS 17 HA LYS 17 8.162 -0.703 3.854
142 HB2 LYS 17 2HB LYS 17 8.428 -1.450 1.018
143 HB3 LYS 17 1HB LYS 17 9.431 -0.100 1.527
144 HG2 LYS 17 2HG LYS 17 10.327 -1.510 3.352
145 HG3 LYS 17 1HG LYS 17 9.394 -2.865 2.713
146 HD2 LYS 17 2HD LYS 17 10.621 -2.817 0.653
147 HD3 LYS 17 1HD LYS 17 11.438 -1.325 1.121
148 HE2 LYS 17 2HE LYS 17 11.695 -3.952 2.578
149 HE3 LYS 17 1HE LYS 17 12.842 -3.359 1.377
150 HZ1 LYS 17 3HZ LYS 17 13.234 -1.421 2.791
151 HZ2 LYS 17 1HZ LYS 17 13.609 -2.861 3.596
152 HZ3 LYS 17 2HZ LYS 17 12.174 -2.039 3.955
153 H PHE 18 H PHE 18 6.001 0.517 1.453
154 HA PHE 18 HA PHE 18 7.012 3.229 1.665
155 HB2 PHE 18 2HB PHE 18 4.688 2.052 0.126
156 HB3 PHE 18 1HB PHE 18 5.128 3.755 0.093
157 HD1 PHE 18 1HD PHE 18 7.278 4.455 -0.905
158 HD2 PHE 18 2HD PHE 18 5.876 0.444 -1.144
159 HE1 PHE 18 1HE PHE 18 8.859 4.016 -2.738
160 HE2 PHE 18 2HE PHE 18 7.456 -0.004 -2.976
161 HZ PHE 18 HZ PHE 18 8.950 1.784 -3.776
162 H CYS 19 H CYS 19 4.168 1.351 2.575
163 HA CYS 19 HA CYS 19 3.051 3.647 3.976
164 HB2 CYS 19 2HB CYS 19 1.809 0.919 4.042
165 HB3 CYS 19 1HB CYS 19 1.038 2.498 4.066
166 HN1 NH2 20 1H CYS 19 4.709 3.814 5.541
167 HN2 NH2 20 2H CYS 19 4.770 2.746 6.898
Start of MODEL 4
1 H1 PHE 1 1HT PHE 1 4.581 7.653 -6.453
2 H2 PHE 1 2HT PHE 1 3.346 8.512 -5.680
3 H3 PHE 1 3HT PHE 1 3.031 7.703 -7.129
4 HA PHE 1 HA PHE 1 3.422 5.581 -6.075
5 HB2 PHE 1 2HB PHE 1 5.031 6.342 -4.384
6 HB3 PHE 1 1HB PHE 1 3.772 7.278 -3.586
7 HD1 PHE 1 2HD PHE 1 4.564 3.783 -4.606
8 HD2 PHE 1 1HD PHE 1 2.641 6.349 -1.808
9 HE1 PHE 1 2HE PHE 1 4.009 1.838 -3.209
10 HE2 PHE 1 1HE PHE 1 2.085 4.408 -0.404
11 HZ PHE 1 HZ PHE 1 2.768 2.148 -1.104
12 H ASN 2 H ASN 2 1.574 4.480 -5.427
13 HA ASN 2 HA ASN 2 -0.820 6.126 -5.257
14 HB2 ASN 2 2HB ASN 2 -0.815 4.234 -6.833
15 HB3 ASN 2 1HB ASN 2 -0.526 3.119 -5.500
16 HD21 ASN 2 1HD2 ASN 2 -2.424 1.993 -5.971
17 HD22 ASN 2 2HD2 ASN 2 -3.982 2.631 -5.589
18 H TRP 3 H TRP 3 -0.827 6.932 -3.208
19 HA TRP 3 HA TRP 3 -0.227 5.514 -0.867
20 HB2 TRP 3 2HB TRP 3 -1.532 7.363 0.276
21 HB3 TRP 3 1HB TRP 3 -0.211 7.890 -0.760
22 HD1 TRP 3 HD TRP 3 -0.859 9.170 -3.025
23 HE1 TRP 3 1HE TRP 3 -3.008 10.380 -3.759
24 HE3 TRP 3 3HE TRP 3 -4.082 7.299 0.476
25 HZ2 TRP 3 2HZ TRP 3 -5.710 10.525 -2.959
26 HZ3 TRP 3 3HZ TRP 3 -6.431 8.027 0.424
27 HH2 TRP 3 HH TRP 3 -7.227 9.607 -1.259
28 H ARG 4 H ARG 4 -3.025 5.517 -2.840
29 HA ARG 4 HA ARG 4 -4.952 4.752 -0.949
30 HB2 ARG 4 2HB ARG 4 -4.731 4.645 -3.902
31 HB3 ARG 4 1HB ARG 4 -5.924 3.599 -3.152
32 HG2 ARG 4 2HG ARG 4 -6.922 5.565 -2.054
33 HG3 ARG 4 1HG ARG 4 -5.743 6.592 -2.872
34 HD2 ARG 4 2HD ARG 4 -6.619 5.883 -5.037
35 HD3 ARG 4 1HD ARG 4 -7.780 4.829 -4.231
36 HE ARG 4 HE ARG 4 -7.894 7.645 -3.525
37 HH11 ARG 4 1HH1 ARG 4 -9.181 5.053 -5.488
38 HH12 ARG 4 2HH1 ARG 4 -10.676 5.864 -5.816
39 HH21 ARG 4 1HH2 ARG 4 -9.864 8.729 -3.955
40 HH22 ARG 4 2HH2 ARG 4 -11.065 7.965 -4.941
41 H CYS 5 H CYS 5 -2.444 3.060 -2.490
42 HA CYS 5 HA CYS 5 -3.358 0.413 -2.245
43 HB2 CYS 5 2HB CYS 5 -0.679 1.708 -2.435
44 HB3 CYS 5 1HB CYS 5 -0.756 0.012 -1.969
45 H CYS 6 H CYS 6 -1.987 2.665 0.031
46 HA CYS 6 HA CYS 6 -1.356 0.722 2.036
47 HB2 CYS 6 2HB CYS 6 -1.890 3.635 2.573
48 HB3 CYS 6 1HB CYS 6 -0.807 2.537 3.428
49 H LEU 7 H LEU 7 -4.240 2.049 0.925
50 HA LEU 7 HA LEU 7 -5.655 1.574 3.440
51 HB2 LEU 7 2HB LEU 7 -6.733 2.654 0.834
52 HB3 LEU 7 1HB LEU 7 -7.552 2.654 2.385
53 HG LEU 7 HG LEU 7 -5.029 4.208 1.799
54 HD11 LEU 7 1HD1 LEU 7 -7.889 5.156 1.910
55 HD12 LEU 7 2HD1 LEU 7 -6.895 5.032 0.458
56 HD13 LEU 7 3HD1 LEU 7 -6.462 6.178 1.727
57 HD21 LEU 7 3HD2 LEU 7 -5.332 3.627 4.154
58 HD22 LEU 7 1HD2 LEU 7 -6.955 4.316 4.119
59 HD23 LEU 7 2HD2 LEU 7 -5.551 5.357 3.888
60 H ILE 8 H ILE 8 -4.633 -0.125 0.873
61 HA ILE 8 HA ILE 8 -6.942 -1.959 0.928
62 HB ILE 8 HB ILE 8 -4.976 -1.645 -1.352
63 HG12 ILE 8 2HG1 ILE 8 -7.848 -0.704 -1.277
64 HG13 ILE 8 1HG1 ILE 8 -6.477 0.357 -0.967
65 HG21 ILE 8 1HG2 ILE 8 -7.562 -3.176 -1.110
66 HG22 ILE 8 2HG2 ILE 8 -5.940 -3.855 -1.238
67 HG23 ILE 8 3HG2 ILE 8 -6.639 -2.980 -2.599
68 HD11 ILE 8 3HD1 ILE 8 -7.262 0.575 -3.252
69 HD12 ILE 8 1HD1 ILE 8 -7.007 -1.149 -3.518
70 HD13 ILE 8 2HD1 ILE 8 -5.630 -0.091 -3.212
71 HA PRO 9 HA PRO 9 -3.916 -4.497 3.115
72 HB2 PRO 9 2HB PRO 9 -6.076 -6.491 2.655
73 HB3 PRO 9 1HB PRO 9 -5.238 -6.059 4.150
74 HG2 PRO 9 2HG PRO 9 -7.723 -5.224 3.708
75 HG3 PRO 9 1HG PRO 9 -6.534 -4.160 4.483
76 HD2 PRO 9 2HD PRO 9 -7.554 -4.138 1.672
77 HD3 PRO 9 1HD PRO 9 -7.158 -2.777 2.741
78 H ALA 10 H ALA 10 -5.178 -4.943 -0.035
79 HA ALA 10 HA ALA 10 -3.601 -7.322 -0.574
80 HB1 ALA 10 1HB ALA 10 -5.326 -5.686 -2.431
81 HB2 ALA 10 2HB ALA 10 -5.836 -7.127 -1.553
82 HB3 ALA 10 3HB ALA 10 -4.592 -7.248 -2.797
83 H CYS 11 H CYS 11 -3.517 -3.856 -1.207
84 HA CYS 11 HA CYS 11 -1.167 -4.199 -2.917
85 HB2 CYS 11 2HB CYS 11 -3.135 -2.570 -3.414
86 HB3 CYS 11 1HB CYS 11 -2.365 -1.531 -2.219
87 H ARG 12 H ARG 12 -2.125 -2.974 0.221
88 HA ARG 12 HA ARG 12 0.322 -1.696 0.874
89 HB2 ARG 12 2HB ARG 12 -1.973 -1.523 2.042
90 HB3 ARG 12 1HB ARG 12 -1.493 -2.977 2.899
91 HG2 ARG 12 2HG ARG 12 0.561 -1.774 3.646
92 HG3 ARG 12 1HG ARG 12 -0.115 -0.305 2.941
93 HD2 ARG 12 2HD ARG 12 -2.042 -0.467 4.417
94 HD3 ARG 12 1HD ARG 12 -1.411 -1.967 5.097
95 HE ARG 12 HE ARG 12 0.580 -0.475 5.741
96 HH11 ARG 12 1HH1 ARG 12 -2.739 0.627 5.587
97 HH12 ARG 12 2HH1 ARG 12 -2.541 1.803 6.845
98 HH21 ARG 12 1HH2 ARG 12 0.865 1.092 7.367
99 HH22 ARG 12 2HH2 ARG 12 -0.477 2.073 7.862
100 H ARG 13 H ARG 13 -0.698 -4.945 0.769
101 HA ARG 13 HA ARG 13 1.088 -6.112 2.601
102 HB2 ARG 13 2HB ARG 13 -0.942 -7.152 1.432
103 HB3 ARG 13 1HB ARG 13 0.129 -7.424 0.066
104 HG2 ARG 13 2HG ARG 13 1.538 -8.852 1.385
105 HG3 ARG 13 1HG ARG 13 0.611 -8.481 2.841
106 HD2 ARG 13 2HD ARG 13 -0.344 -9.963 0.396
107 HD3 ARG 13 1HD ARG 13 -0.087 -10.624 2.011
108 HE ARG 13 HE ARG 13 -2.010 -8.465 1.855
109 HH11 ARG 13 1HH1 ARG 13 -1.511 -11.925 1.762
110 HH12 ARG 13 2HH1 ARG 13 -3.142 -12.306 2.202
111 HH21 ARG 13 1HH2 ARG 13 -4.160 -8.950 2.431
112 HH22 ARG 13 2HH2 ARG 13 -4.660 -10.603 2.583
113 H ASN 14 H ASN 14 1.379 -5.226 -0.771
114 HA ASN 14 HA ASN 14 4.076 -6.302 -0.956
115 HB2 ASN 14 2HB ASN 14 2.826 -6.687 -2.917
116 HB3 ASN 14 1HB ASN 14 2.152 -5.063 -2.914
117 HD21 ASN 14 1HD2 ASN 14 4.969 -6.992 -3.616
118 HD22 ASN 14 2HD2 ASN 14 5.758 -5.826 -4.616
119 H HIS 15 H HIS 15 2.442 -3.302 -0.438
120 HA HIS 15 HA HIS 15 4.976 -1.837 -0.774
121 HB2 HIS 15 2HB HIS 15 2.126 -0.826 -0.804
122 HB3 HIS 15 1HB HIS 15 3.545 0.215 -0.858
123 HD1 HIS 15 1HD HIS 15 5.164 -0.255 -3.019
124 HD2 HIS 15 2HD HIS 15 1.261 -1.656 -3.237
125 HE1 HIS 15 1HE HIS 15 4.732 -0.659 -5.460
126 HE2 HIS 15 2HE HIS 15 2.442 -1.708 -5.533
127 H LYS 16 H LYS 16 4.294 -3.445 1.523
128 HA LYS 16 HA LYS 16 3.437 -1.818 3.677
129 HB2 LYS 16 2HB LYS 16 4.391 -3.636 5.105
130 HB3 LYS 16 1HB LYS 16 3.261 -4.199 3.883
131 HG2 LYS 16 2HG LYS 16 5.112 -4.921 2.480
132 HG3 LYS 16 1HG LYS 16 6.263 -4.321 3.676
133 HD2 LYS 16 2HD LYS 16 4.206 -6.473 4.176
134 HD3 LYS 16 1HD LYS 16 5.908 -6.767 3.814
135 HE2 LYS 16 2HE LYS 16 6.549 -5.535 5.827
136 HE3 LYS 16 1HE LYS 16 4.849 -5.234 6.185
137 HZ1 LYS 16 3HZ LYS 16 5.751 -7.098 7.455
138 HZ2 LYS 16 1HZ LYS 16 6.104 -7.919 6.019
139 HZ3 LYS 16 2HZ LYS 16 4.497 -7.593 6.434
140 H LYS 17 H LYS 17 6.360 -1.965 1.975
141 HA LYS 17 HA LYS 17 8.061 -1.138 4.129
142 HB2 LYS 17 2HB LYS 17 8.495 -2.200 1.633
143 HB3 LYS 17 1HB LYS 17 8.986 -0.527 1.424
144 HG2 LYS 17 2HG LYS 17 10.147 -1.257 3.827
145 HG3 LYS 17 1HG LYS 17 10.327 -2.687 2.809
146 HD2 LYS 17 2HD LYS 17 12.255 -1.220 2.573
147 HD3 LYS 17 1HD LYS 17 11.354 -1.305 1.060
148 HE2 LYS 17 2HE LYS 17 12.088 0.985 1.599
149 HE3 LYS 17 1HE LYS 17 10.334 0.841 1.501
150 HZ1 LYS 17 3HZ LYS 17 11.448 2.113 3.461
151 HZ2 LYS 17 1HZ LYS 17 11.636 0.566 4.121
152 HZ3 LYS 17 2HZ LYS 17 10.088 1.147 3.743
153 H PHE 18 H PHE 18 6.008 0.362 1.866
154 HA PHE 18 HA PHE 18 7.167 2.999 2.364
155 HB2 PHE 18 2HB PHE 18 5.061 2.037 0.424
156 HB3 PHE 18 1HB PHE 18 5.447 3.739 0.654
157 HD1 PHE 18 1HD PHE 18 7.749 4.547 0.123
158 HD2 PHE 18 2HD PHE 18 6.400 0.649 -0.927
159 HE1 PHE 18 1HE PHE 18 9.579 4.357 -1.509
160 HE2 PHE 18 2HE PHE 18 8.229 0.452 -2.559
161 HZ PHE 18 HZ PHE 18 9.822 2.308 -2.853
162 H CYS 19 H CYS 19 4.161 1.188 2.741
163 HA CYS 19 HA CYS 19 2.980 3.411 4.220
164 HB2 CYS 19 2HB CYS 19 1.603 0.780 3.791
165 HB3 CYS 19 1HB CYS 19 0.907 2.384 3.957
166 HN1 NH2 20 1H CYS 19 4.940 2.800 5.707
167 HN2 NH2 20 2H CYS 19 4.532 1.786 7.047
Start of MODEL 5
1 H1 PHE 1 1HT PHE 1 4.152 7.570 -3.902
2 H2 PHE 1 2HT PHE 1 3.933 7.868 -5.550
3 H3 PHE 1 3HT PHE 1 5.290 7.006 -5.021
4 HA PHE 1 HA PHE 1 3.653 5.533 -5.987
5 HB2 PHE 1 2HB PHE 1 3.488 3.945 -4.121
6 HB3 PHE 1 1HB PHE 1 5.081 4.688 -4.165
7 HD1 PHE 1 1HD PHE 1 5.683 6.409 -2.483
8 HD2 PHE 1 2HD PHE 1 2.045 4.211 -2.259
9 HE1 PHE 1 1HE PHE 1 5.443 7.053 -0.122
10 HE2 PHE 1 2HE PHE 1 1.797 4.855 0.102
11 HZ PHE 1 HZ PHE 1 3.497 6.278 1.173
12 H ASN 2 H ASN 2 1.573 4.273 -5.157
13 HA ASN 2 HA ASN 2 -0.497 6.309 -4.971
14 HB2 ASN 2 2HB ASN 2 -0.547 4.348 -6.621
15 HB3 ASN 2 1HB ASN 2 -0.930 3.332 -5.234
16 HD21 ASN 2 1HD2 ASN 2 -2.570 3.751 -7.513
17 HD22 ASN 2 2HD2 ASN 2 -4.028 4.505 -6.974
18 H TRP 3 H TRP 3 -0.871 6.980 -2.969
19 HA TRP 3 HA TRP 3 -0.421 5.528 -0.621
20 HB2 TRP 3 2HB TRP 3 -1.694 7.321 0.509
21 HB3 TRP 3 1HB TRP 3 -0.490 7.951 -0.608
22 HD1 TRP 3 HD TRP 3 -1.433 9.032 -2.929
23 HE1 TRP 3 1HE TRP 3 -3.692 10.150 -3.448
24 HE3 TRP 3 3HE TRP 3 -4.142 7.282 1.041
25 HZ2 TRP 3 2HZ TRP 3 -6.279 10.276 -2.324
26 HZ3 TRP 3 3HZ TRP 3 -6.500 7.952 1.246
27 HH2 TRP 3 HH TRP 3 -7.546 9.418 -0.402
28 H ARG 4 H ARG 4 -3.075 5.472 -2.795
29 HA ARG 4 HA ARG 4 -5.095 4.654 -1.022
30 HB2 ARG 4 2HB ARG 4 -4.702 4.548 -3.955
31 HB3 ARG 4 1HB ARG 4 -5.895 3.454 -3.273
32 HG2 ARG 4 2HG ARG 4 -5.859 6.443 -2.901
33 HG3 ARG 4 1HG ARG 4 -6.887 5.561 -4.035
34 HD2 ARG 4 2HD ARG 4 -7.957 4.395 -2.195
35 HD3 ARG 4 1HD ARG 4 -6.887 5.189 -1.042
36 HE ARG 4 HE ARG 4 -8.354 7.065 -2.615
37 HH11 ARG 4 1HH1 ARG 4 -8.576 4.932 0.147
38 HH12 ARG 4 2HH1 ARG 4 -9.818 5.853 0.928
39 HH21 ARG 4 1HH2 ARG 4 -9.998 8.295 -1.592
40 HH22 ARG 4 2HH2 ARG 4 -10.630 7.773 -0.065
41 H CYS 5 H CYS 5 -2.471 3.020 -2.444
42 HA CYS 5 HA CYS 5 -3.333 0.350 -2.180
43 HB2 CYS 5 2HB CYS 5 -0.675 1.705 -2.323
44 HB3 CYS 5 1HB CYS 5 -0.738 0.005 -1.869
45 H CYS 6 H CYS 6 -2.089 2.686 0.067
46 HA CYS 6 HA CYS 6 -1.411 0.812 2.124
47 HB2 CYS 6 2HB CYS 6 -2.061 3.699 2.643
48 HB3 CYS 6 1HB CYS 6 -0.866 2.665 3.427
49 H LEU 7 H LEU 7 -4.315 2.078 0.953
50 HA LEU 7 HA LEU 7 -5.748 1.522 3.447
51 HB2 LEU 7 2HB LEU 7 -6.467 2.988 0.925
52 HB3 LEU 7 1HB LEU 7 -7.724 2.406 1.997
53 HG LEU 7 HG LEU 7 -7.424 4.648 2.594
54 HD11 LEU 7 1HD1 LEU 7 -7.511 3.205 4.536
55 HD12 LEU 7 2HD1 LEU 7 -6.469 4.593 4.850
56 HD13 LEU 7 3HD1 LEU 7 -5.758 3.017 4.502
57 HD21 LEU 7 3HD2 LEU 7 -5.250 5.681 3.024
58 HD22 LEU 7 1HD2 LEU 7 -5.359 5.062 1.376
59 HD23 LEU 7 2HD2 LEU 7 -4.446 4.170 2.593
60 H ILE 8 H ILE 8 -4.651 -0.103 0.888
61 HA ILE 8 HA ILE 8 -6.948 -1.952 0.838
62 HB ILE 8 HB ILE 8 -4.955 -1.506 -1.394
63 HG12 ILE 8 2HG1 ILE 8 -7.883 -0.756 -1.337
64 HG13 ILE 8 1HG1 ILE 8 -6.582 0.383 -1.013
65 HG21 ILE 8 1HG2 ILE 8 -7.452 -3.195 -1.272
66 HG22 ILE 8 2HG2 ILE 8 -5.791 -3.787 -1.308
67 HG23 ILE 8 3HG2 ILE 8 -6.455 -2.941 -2.705
68 HD11 ILE 8 3HD1 ILE 8 -7.383 0.568 -3.298
69 HD12 ILE 8 1HD1 ILE 8 -6.998 -1.129 -3.581
70 HD13 ILE 8 2HD1 ILE 8 -5.705 0.028 -3.257
71 HA PRO 9 HA PRO 9 -3.894 -4.444 3.058
72 HB2 PRO 9 2HB PRO 9 -6.057 -6.433 2.558
73 HB3 PRO 9 1HB PRO 9 -5.199 -6.053 4.055
74 HG2 PRO 9 2HG PRO 9 -7.680 -5.187 3.672
75 HG3 PRO 9 1HG PRO 9 -6.472 -4.153 4.455
76 HD2 PRO 9 2HD PRO 9 -7.549 -4.041 1.672
77 HD3 PRO 9 1HD PRO 9 -7.092 -2.715 2.761
78 H ALA 10 H ALA 10 -5.295 -5.026 -0.061
79 HA ALA 10 HA ALA 10 -3.690 -7.349 -0.635
80 HB1 ALA 10 1HB ALA 10 -5.905 -7.079 -1.640
81 HB2 ALA 10 2HB ALA 10 -4.648 -7.216 -2.869
82 HB3 ALA 10 3HB ALA 10 -5.343 -5.640 -2.491
83 H CYS 11 H CYS 11 -3.518 -3.882 -1.258
84 HA CYS 11 HA CYS 11 -1.163 -4.265 -2.946
85 HB2 CYS 11 2HB CYS 11 -3.051 -2.591 -3.474
86 HB3 CYS 11 1HB CYS 11 -2.349 -1.598 -2.202
87 H ARG 12 H ARG 12 -2.090 -2.971 0.196
88 HA ARG 12 HA ARG 12 0.416 -1.803 0.823
89 HB2 ARG 12 2HB ARG 12 -1.905 -1.550 1.982
90 HB3 ARG 12 1HB ARG 12 -1.387 -2.933 2.926
91 HG2 ARG 12 2HG ARG 12 0.679 -1.658 3.519
92 HG3 ARG 12 1HG ARG 12 -0.046 -0.249 2.745
93 HD2 ARG 12 2HD ARG 12 -1.906 -0.324 4.301
94 HD3 ARG 12 1HD ARG 12 -1.255 -1.786 5.042
95 HE ARG 12 HE ARG 12 0.765 -0.245 5.511
96 HH11 ARG 12 1HH1 ARG 12 -2.588 0.768 5.517
97 HH12 ARG 12 2HH1 ARG 12 -2.345 1.999 6.715
98 HH21 ARG 12 1HH2 ARG 12 1.104 1.393 7.056
99 HH22 ARG 12 2HH2 ARG 12 -0.234 2.358 7.593
100 H ARG 13 H ARG 13 -0.702 -5.012 0.744
101 HA ARG 13 HA ARG 13 0.969 -6.236 2.625
102 HB2 ARG 13 2HB ARG 13 -0.953 -7.314 1.421
103 HB3 ARG 13 1HB ARG 13 0.066 -7.414 -0.007
104 HG2 ARG 13 2HG ARG 13 1.569 -8.915 1.086
105 HG3 ARG 13 1HG ARG 13 0.747 -8.689 2.631
106 HD2 ARG 13 2HD ARG 13 -0.443 -9.929 0.152
107 HD3 ARG 13 1HD ARG 13 0.104 -10.800 1.584
108 HE ARG 13 HE ARG 13 -1.669 -9.294 2.733
109 HH11 ARG 13 1HH1 ARG 13 -1.926 -10.727 -0.445
110 HH12 ARG 13 2HH1 ARG 13 -3.653 -10.842 -0.401
111 HH21 ARG 13 1HH2 ARG 13 -3.953 -9.438 2.805
112 HH22 ARG 13 2HH2 ARG 13 -4.811 -10.107 1.458
113 H ASN 14 H ASN 14 1.497 -5.367 -0.739
114 HA ASN 14 HA ASN 14 4.259 -6.322 -0.610
115 HB2 ASN 14 2HB ASN 14 3.121 -6.980 -2.611
116 HB3 ASN 14 1HB ASN 14 2.513 -5.352 -2.880
117 HD21 ASN 14 1HD2 ASN 14 5.340 -7.407 -2.990
118 HD22 ASN 14 2HD2 ASN 14 6.263 -6.399 -4.046
119 H HIS 15 H HIS 15 2.376 -3.465 -0.437
120 HA HIS 15 HA HIS 15 4.728 -1.752 -0.868
121 HB2 HIS 15 2HB HIS 15 1.775 -1.114 -0.761
122 HB3 HIS 15 1HB HIS 15 3.025 0.122 -0.817
123 HD1 HIS 15 1HD HIS 15 1.548 0.654 -3.095
124 HD2 HIS 15 2HD HIS 15 4.023 -2.680 -3.143
125 HE1 HIS 15 1HE HIS 15 1.881 0.098 -5.524
126 HE2 HIS 15 2HE HIS 15 3.249 -2.017 -5.516
127 H LYS 16 H LYS 16 4.320 -3.397 1.489
128 HA LYS 16 HA LYS 16 3.425 -1.841 3.673
129 HB2 LYS 16 2HB LYS 16 4.600 -3.549 5.057
130 HB3 LYS 16 1HB LYS 16 3.496 -4.232 3.872
131 HG2 LYS 16 2HG LYS 16 5.493 -4.582 2.378
132 HG3 LYS 16 1HG LYS 16 6.499 -4.149 3.761
133 HD2 LYS 16 2HD LYS 16 4.490 -6.401 3.707
134 HD3 LYS 16 1HD LYS 16 6.233 -6.589 3.504
135 HE2 LYS 16 2HE LYS 16 6.604 -5.697 5.738
136 HE3 LYS 16 1HE LYS 16 4.872 -5.440 5.939
137 HZ1 LYS 16 3HZ LYS 16 4.528 -7.818 5.770
138 HZ2 LYS 16 1HZ LYS 16 5.615 -7.474 7.020
139 HZ3 LYS 16 2HZ LYS 16 6.184 -8.075 5.545
140 H LYS 17 H LYS 17 6.353 -1.853 1.896
141 HA LYS 17 HA LYS 17 7.979 -0.738 3.979
142 HB2 LYS 17 2HB LYS 17 8.767 -2.054 1.914
143 HB3 LYS 17 1HB LYS 17 8.562 -0.551 1.038
144 HG2 LYS 17 2HG LYS 17 10.888 -0.962 1.796
145 HG3 LYS 17 1HG LYS 17 10.198 0.552 2.379
146 HD2 LYS 17 2HD LYS 17 9.537 -1.283 4.346
147 HD3 LYS 17 1HD LYS 17 11.171 -1.746 3.868
148 HE2 LYS 17 2HE LYS 17 11.518 -0.184 5.563
149 HE3 LYS 17 1HE LYS 17 11.723 0.757 4.086
150 HZ1 LYS 17 3HZ LYS 17 9.329 0.692 5.843
151 HZ2 LYS 17 1HZ LYS 17 9.368 1.467 4.337
152 HZ3 LYS 17 2HZ LYS 17 10.374 1.995 5.591
153 H PHE 18 H PHE 18 6.218 0.431 1.218
154 HA PHE 18 HA PHE 18 7.018 3.154 1.485
155 HB2 PHE 18 2HB PHE 18 4.603 2.000 0.068
156 HB3 PHE 18 1HB PHE 18 5.255 3.620 -0.153
157 HD1 PHE 18 2HD PHE 18 7.587 3.852 -1.107
158 HD2 PHE 18 1HD PHE 18 5.404 0.200 -1.178
159 HE1 PHE 18 2HE PHE 18 9.050 3.018 -2.901
160 HE2 PHE 18 1HE PHE 18 6.863 -0.642 -2.972
161 HZ PHE 18 HZ PHE 18 8.688 0.768 -3.835
162 H CYS 19 H CYS 19 4.083 1.354 2.340
163 HA CYS 19 HA CYS 19 3.058 3.688 3.759
164 HB2 CYS 19 2HB CYS 19 1.664 1.028 3.579
165 HB3 CYS 19 1HB CYS 19 0.966 2.625 3.803
166 HN1 NH2 20 1H CYS 19 5.111 3.205 5.131
167 HN2 NH2 20 2H CYS 19 4.823 2.282 6.564
Start of MODEL 6
1 H1 PHE 1 1HT PHE 1 3.410 9.193 -6.704
2 H2 PHE 1 2HT PHE 1 1.951 9.470 -5.892
3 H3 PHE 1 3HT PHE 1 1.943 8.725 -7.408
4 HA PHE 1 HA PHE 1 3.040 6.800 -6.549
5 HB2 PHE 1 2HB PHE 1 4.347 8.084 -4.821
6 HB3 PHE 1 1HB PHE 1 2.880 8.171 -3.851
7 HD1 PHE 1 1HD PHE 1 5.292 5.803 -5.371
8 HD2 PHE 1 2HD PHE 1 2.283 6.418 -2.425
9 HE1 PHE 1 1HE PHE 1 5.838 3.627 -4.363
10 HE2 PHE 1 2HE PHE 1 2.825 4.243 -1.412
11 HZ PHE 1 HZ PHE 1 4.605 2.845 -2.380
12 H ASN 2 H ASN 2 1.785 5.071 -5.738
13 HA ASN 2 HA ASN 2 -1.040 5.742 -5.471
14 HB2 ASN 2 2HB ASN 2 -1.222 3.139 -5.591
15 HB3 ASN 2 1HB ASN 2 -0.852 4.050 -7.049
16 HD21 ASN 2 1HD2 ASN 2 0.001 2.093 -7.893
17 HD22 ASN 2 2HD2 ASN 2 1.591 1.573 -7.465
18 H TRP 3 H TRP 3 -0.314 6.636 -3.287
19 HA TRP 3 HA TRP 3 0.359 4.946 -1.150
20 HB2 TRP 3 2HB TRP 3 -0.587 6.813 0.282
21 HB3 TRP 3 1HB TRP 3 0.666 7.291 -0.857
22 HD1 TRP 3 HD TRP 3 -0.044 8.891 -2.867
23 HE1 TRP 3 1HE TRP 3 -2.116 10.365 -3.262
24 HE3 TRP 3 3HE TRP 3 -3.135 6.926 0.702
25 HZ2 TRP 3 2HZ TRP 3 -4.712 10.658 -2.202
26 HZ3 TRP 3 3HZ TRP 3 -5.396 7.862 0.947
27 HH2 TRP 3 HH TRP 3 -6.167 9.691 -0.475
28 H ARG 4 H ARG 4 -2.570 5.427 -2.812
29 HA ARG 4 HA ARG 4 -4.455 4.765 -0.861
30 HB2 ARG 4 2HB ARG 4 -4.383 4.764 -3.823
31 HB3 ARG 4 1HB ARG 4 -5.654 3.829 -3.055
32 HG2 ARG 4 2HG ARG 4 -6.447 5.802 -1.895
33 HG3 ARG 4 1HG ARG 4 -5.113 6.750 -2.557
34 HD2 ARG 4 2HD ARG 4 -5.967 6.333 -4.824
35 HD3 ARG 4 1HD ARG 4 -7.315 5.426 -4.139
36 HE ARG 4 HE ARG 4 -7.849 7.620 -2.963
37 HH11 ARG 4 1HH1 ARG 4 -6.318 7.436 -6.103
38 HH12 ARG 4 2HH1 ARG 4 -6.929 8.963 -6.641
39 HH21 ARG 4 1HH2 ARG 4 -8.674 9.638 -3.665
40 HH22 ARG 4 2HH2 ARG 4 -8.279 10.220 -5.248
41 H CYS 5 H CYS 5 -2.226 2.876 -2.573
42 HA CYS 5 HA CYS 5 -3.374 0.333 -2.446
43 HB2 CYS 5 2HB CYS 5 -0.607 1.401 -2.583
44 HB3 CYS 5 1HB CYS 5 -0.796 -0.282 -2.105
45 H CYS 6 H CYS 6 -1.761 2.275 -0.029
46 HA CYS 6 HA CYS 6 -1.430 0.126 1.844
47 HB2 CYS 6 2HB CYS 6 -1.366 3.106 2.360
48 HB3 CYS 6 1HB CYS 6 -0.707 1.842 3.393
49 H LEU 7 H LEU 7 -4.109 1.786 0.802
50 HA LEU 7 HA LEU 7 -5.531 1.514 3.339
51 HB2 LEU 7 2HB LEU 7 -6.511 2.618 0.702
52 HB3 LEU 7 1HB LEU 7 -7.366 2.688 2.231
53 HG LEU 7 HG LEU 7 -4.741 4.073 1.671
54 HD11 LEU 7 1HD1 LEU 7 -7.539 5.189 1.783
55 HD12 LEU 7 2HD1 LEU 7 -6.545 5.023 0.336
56 HD13 LEU 7 3HD1 LEU 7 -6.055 6.130 1.620
57 HD21 LEU 7 3HD2 LEU 7 -6.650 4.267 4.000
58 HD22 LEU 7 1HD2 LEU 7 -5.210 5.256 3.764
59 HD23 LEU 7 2HD2 LEU 7 -5.053 3.519 4.022
60 H ILE 8 H ILE 8 -4.784 -0.182 0.622
61 HA ILE 8 HA ILE 8 -7.142 -1.944 0.828
62 HB ILE 8 HB ILE 8 -5.229 -1.725 -1.512
63 HG12 ILE 8 2HG1 ILE 8 -8.051 -0.642 -1.374
64 HG13 ILE 8 1HG1 ILE 8 -6.626 0.351 -1.081
65 HG21 ILE 8 1HG2 ILE 8 -6.328 -3.887 -1.324
66 HG22 ILE 8 2HG2 ILE 8 -6.956 -2.997 -2.710
67 HG23 ILE 8 3HG2 ILE 8 -7.903 -3.099 -1.226
68 HD11 ILE 8 3HD1 ILE 8 -5.837 -0.114 -3.340
69 HD12 ILE 8 1HD1 ILE 8 -7.443 0.614 -3.352
70 HD13 ILE 8 2HD1 ILE 8 -7.257 -1.118 -3.631
71 HA PRO 9 HA PRO 9 -4.224 -4.542 3.103
72 HB2 PRO 9 2HB PRO 9 -6.338 -6.469 2.218
73 HB3 PRO 9 1HB PRO 9 -5.549 -6.311 3.793
74 HG2 PRO 9 2HG PRO 9 -7.986 -5.324 3.405
75 HG3 PRO 9 1HG PRO 9 -6.795 -4.440 4.376
76 HD2 PRO 9 2HD PRO 9 -7.794 -3.880 1.636
77 HD3 PRO 9 1HD PRO 9 -7.201 -2.757 2.876
78 H ALA 10 H ALA 10 -5.565 -5.440 -0.058
79 HA ALA 10 HA ALA 10 -3.701 -7.504 -0.592
80 HB1 ALA 10 1HB ALA 10 -5.859 -7.334 -1.735
81 HB2 ALA 10 2HB ALA 10 -4.519 -7.407 -2.878
82 HB3 ALA 10 3HB ALA 10 -5.311 -5.867 -2.546
83 H CYS 11 H CYS 11 -3.734 -4.040 -1.378
84 HA CYS 11 HA CYS 11 -1.206 -4.322 -2.806
85 HB2 CYS 11 2HB CYS 11 -3.263 -2.758 -3.412
86 HB3 CYS 11 1HB CYS 11 -2.459 -1.653 -2.305
87 H ARG 12 H ARG 12 -2.439 -3.359 0.260
88 HA ARG 12 HA ARG 12 -0.312 -1.757 1.185
89 HB2 ARG 12 2HB ARG 12 -2.497 -1.901 2.301
90 HB3 ARG 12 1HB ARG 12 -2.174 -3.561 2.738
91 HG2 ARG 12 2HG ARG 12 -0.138 -2.675 3.983
92 HG3 ARG 12 1HG ARG 12 -0.861 -1.078 3.779
93 HD2 ARG 12 2HD ARG 12 -2.425 -3.353 4.951
94 HD3 ARG 12 1HD ARG 12 -1.341 -2.385 5.948
95 HE ARG 12 HE ARG 12 -3.026 -0.659 4.511
96 HH11 ARG 12 1HH1 ARG 12 -3.211 -3.006 7.110
97 HH12 ARG 12 2HH1 ARG 12 -4.552 -2.233 7.884
98 HH21 ARG 12 1HH2 ARG 12 -4.786 0.360 5.521
99 HH22 ARG 12 2HH2 ARG 12 -5.457 -0.309 6.973
100 H ARG 13 H ARG 13 -0.843 -5.184 1.033
101 HA ARG 13 HA ARG 13 1.233 -6.058 2.700
102 HB2 ARG 13 2HB ARG 13 -0.618 -7.480 1.798
103 HB3 ARG 13 1HB ARG 13 0.183 -7.454 0.233
104 HG2 ARG 13 2HG ARG 13 0.707 -9.510 1.333
105 HG3 ARG 13 1HG ARG 13 2.163 -8.513 1.285
106 HD2 ARG 13 2HD ARG 13 1.627 -7.766 3.611
107 HD3 ARG 13 1HD ARG 13 0.323 -8.951 3.631
108 HE ARG 13 HE ARG 13 3.125 -9.746 3.198
109 HH11 ARG 13 1HH1 ARG 13 0.090 -10.046 4.901
110 HH12 ARG 13 2HH1 ARG 13 0.588 -11.422 5.827
111 HH21 ARG 13 1HH2 ARG 13 3.801 -11.568 4.414
112 HH22 ARG 13 2HH2 ARG 13 2.710 -12.292 5.549
113 H ASN 14 H ASN 14 1.224 -4.997 -0.626
114 HA ASN 14 HA ASN 14 3.988 -5.801 -1.042
115 HB2 ASN 14 2HB ASN 14 2.569 -6.102 -2.939
116 HB3 ASN 14 1HB ASN 14 1.922 -4.472 -2.802
117 HD21 ASN 14 1HD2 ASN 14 4.661 -6.396 -3.771
118 HD22 ASN 14 2HD2 ASN 14 5.433 -5.175 -4.717
119 H HIS 15 H HIS 15 2.146 -2.986 -0.214
120 HA HIS 15 HA HIS 15 4.526 -1.288 -0.547
121 HB2 HIS 15 2HB HIS 15 1.602 -0.578 -0.259
122 HB3 HIS 15 1HB HIS 15 2.895 0.616 -0.217
123 HD1 HIS 15 1HD HIS 15 3.673 1.498 -2.424
124 HD2 HIS 15 2HD HIS 15 1.436 -1.980 -2.813
125 HE1 HIS 15 1HE HIS 15 3.355 1.174 -4.896
126 HE2 HIS 15 2HE HIS 15 2.126 -1.014 -5.105
127 H LYS 16 H LYS 16 4.038 -3.227 1.593
128 HA LYS 16 HA LYS 16 3.372 -1.843 3.982
129 HB2 LYS 16 2HB LYS 16 3.219 -4.315 3.677
130 HB3 LYS 16 1HB LYS 16 4.975 -4.389 3.675
131 HG2 LYS 16 2HG LYS 16 4.091 -5.002 5.844
132 HG3 LYS 16 1HG LYS 16 5.014 -3.503 5.953
133 HD2 LYS 16 2HD LYS 16 2.576 -2.484 5.504
134 HD3 LYS 16 1HD LYS 16 2.116 -3.984 6.311
135 HE2 LYS 16 2HE LYS 16 2.338 -2.272 7.973
136 HE3 LYS 16 1HE LYS 16 3.680 -3.400 8.155
137 HZ1 LYS 16 3HZ LYS 16 3.737 -0.680 6.973
138 HZ2 LYS 16 1HZ LYS 16 4.999 -1.790 6.759
139 HZ3 LYS 16 2HZ LYS 16 4.596 -1.257 8.314
140 H LYS 17 H LYS 17 6.229 -2.076 2.094
141 HA LYS 17 HA LYS 17 8.072 -1.442 4.183
142 HB2 LYS 17 2HB LYS 17 8.674 -2.578 2.018
143 HB3 LYS 17 1HB LYS 17 8.448 -1.036 1.219
144 HG2 LYS 17 2HG LYS 17 10.826 -1.646 1.793
145 HG3 LYS 17 1HG LYS 17 10.275 -0.060 2.334
146 HD2 LYS 17 2HD LYS 17 9.641 -1.522 4.497
147 HD3 LYS 17 1HD LYS 17 11.013 -2.457 3.902
148 HE2 LYS 17 2HE LYS 17 11.731 -0.770 5.512
149 HE3 LYS 17 1HE LYS 17 12.398 -0.445 3.913
150 HZ1 LYS 17 3HZ LYS 17 11.013 1.363 3.612
151 HZ2 LYS 17 1HZ LYS 17 11.385 1.482 5.258
152 HZ3 LYS 17 2HZ LYS 17 9.887 0.855 4.769
153 H PHE 18 H PHE 18 6.557 0.344 1.582
154 HA PHE 18 HA PHE 18 7.685 2.856 2.233
155 HB2 PHE 18 2HB PHE 18 6.596 2.188 0.034
156 HB3 PHE 18 1HB PHE 18 5.046 2.415 0.831
157 HD1 PHE 18 1HD PHE 18 8.025 4.079 -0.482
158 HD2 PHE 18 2HD PHE 18 4.238 4.621 1.383
159 HE1 PHE 18 1HE PHE 18 8.103 6.477 -1.025
160 HE2 PHE 18 2HE PHE 18 4.310 7.020 0.844
161 HZ PHE 18 HZ PHE 18 6.246 7.951 -0.363
162 H CYS 19 H CYS 19 4.511 1.418 2.914
163 HA CYS 19 HA CYS 19 3.907 3.626 4.722
164 HB2 CYS 19 2HB CYS 19 2.206 1.327 3.738
165 HB3 CYS 19 1HB CYS 19 1.656 2.531 4.897
166 HN1 NH2 20 1H CYS 19 5.388 3.185 6.343
167 HN2 NH2 20 2H CYS 19 5.180 1.877 7.452
Start of MODEL 7
1 H1 PHE 1 1HT PHE 1 4.582 7.426 -6.603
2 H2 PHE 1 2HT PHE 1 3.410 8.348 -5.805
3 H3 PHE 1 3HT PHE 1 3.017 7.543 -7.238
4 HA PHE 1 HA PHE 1 3.355 5.413 -6.172
5 HB2 PHE 1 2HB PHE 1 5.017 6.108 -4.517
6 HB3 PHE 1 1HB PHE 1 3.830 7.132 -3.719
7 HD1 PHE 1 1HD PHE 1 4.375 3.571 -4.683
8 HD2 PHE 1 2HD PHE 1 2.708 6.311 -1.887
9 HE1 PHE 1 1HE PHE 1 3.744 1.694 -3.224
10 HE2 PHE 1 2HE PHE 1 2.072 4.440 -0.423
11 HZ PHE 1 HZ PHE 1 2.590 2.128 -1.092
12 H ASN 2 H ASN 2 1.486 4.385 -5.462
13 HA ASN 2 HA ASN 2 -0.849 6.120 -5.257
14 HB2 ASN 2 2HB ASN 2 -0.881 4.198 -6.838
15 HB3 ASN 2 1HB ASN 2 -0.710 3.101 -5.471
16 HD21 ASN 2 1HD2 ASN 2 -2.648 2.073 -5.822
17 HD22 ASN 2 2HD2 ASN 2 -4.177 2.832 -5.560
18 H TRP 3 H TRP 3 -0.742 6.908 -3.183
19 HA TRP 3 HA TRP 3 -0.158 5.440 -0.878
20 HB2 TRP 3 2HB TRP 3 -1.406 7.318 0.307
21 HB3 TRP 3 1HB TRP 3 -0.050 7.793 -0.707
22 HD1 TRP 3 HD TRP 3 -0.583 9.217 -2.889
23 HE1 TRP 3 1HE TRP 3 -2.663 10.537 -3.634
24 HE3 TRP 3 3HE TRP 3 -3.994 7.286 0.398
25 HZ2 TRP 3 2HZ TRP 3 -5.387 10.733 -2.923
26 HZ3 TRP 3 3HZ TRP 3 -6.312 8.098 0.302
27 HH2 TRP 3 HH TRP 3 -6.993 9.788 -1.325
28 H ARG 4 H ARG 4 -2.983 5.515 -2.791
29 HA ARG 4 HA ARG 4 -4.919 4.823 -0.885
30 HB2 ARG 4 2HB ARG 4 -4.691 4.634 -3.833
31 HB3 ARG 4 1HB ARG 4 -5.917 3.643 -3.059
32 HG2 ARG 4 2HG ARG 4 -7.072 5.511 -2.244
33 HG3 ARG 4 1HG ARG 4 -5.700 6.585 -2.520
34 HD2 ARG 4 2HD ARG 4 -7.390 5.252 -4.630
35 HD3 ARG 4 1HD ARG 4 -7.417 6.960 -4.193
36 HE ARG 4 HE ARG 4 -4.920 5.774 -5.188
37 HH11 ARG 4 1HH1 ARG 4 -7.613 7.958 -5.645
38 HH12 ARG 4 2HH1 ARG 4 -6.884 8.786 -6.979
39 HH21 ARG 4 1HH2 ARG 4 -3.952 6.849 -6.943
40 HH22 ARG 4 2HH2 ARG 4 -4.789 8.150 -7.726
41 H CYS 5 H CYS 5 -2.460 3.047 -2.403
42 HA CYS 5 HA CYS 5 -3.414 0.420 -2.116
43 HB2 CYS 5 2HB CYS 5 -0.689 1.650 -2.269
44 HB3 CYS 5 1HB CYS 5 -0.856 -0.065 -1.908
45 H CYS 6 H CYS 6 -2.016 2.677 0.134
46 HA CYS 6 HA CYS 6 -1.376 0.755 2.149
47 HB2 CYS 6 2HB CYS 6 -1.929 3.673 2.660
48 HB3 CYS 6 1HB CYS 6 -0.846 2.589 3.534
49 H LEU 7 H LEU 7 -4.281 2.120 1.067
50 HA LEU 7 HA LEU 7 -5.677 1.581 3.580
51 HB2 LEU 7 2HB LEU 7 -6.785 2.699 1.004
52 HB3 LEU 7 1HB LEU 7 -7.593 2.661 2.558
53 HG LEU 7 HG LEU 7 -5.099 4.260 1.988
54 HD11 LEU 7 1HD1 LEU 7 -6.567 6.209 1.961
55 HD12 LEU 7 2HD1 LEU 7 -7.974 5.155 2.117
56 HD13 LEU 7 3HD1 LEU 7 -6.973 5.082 0.666
57 HD21 LEU 7 3HD2 LEU 7 -5.589 5.353 4.095
58 HD22 LEU 7 1HD2 LEU 7 -5.419 3.615 4.340
59 HD23 LEU 7 2HD2 LEU 7 -7.022 4.347 4.308
60 H ILE 8 H ILE 8 -4.685 -0.015 0.919
61 HA ILE 8 HA ILE 8 -6.950 -1.901 0.982
62 HB ILE 8 HB ILE 8 -5.121 -1.404 -1.373
63 HG12 ILE 8 2HG1 ILE 8 -8.015 -0.579 -1.087
64 HG13 ILE 8 1HG1 ILE 8 -6.665 0.515 -0.816
65 HG21 ILE 8 1HG2 ILE 8 -6.746 -2.766 -2.605
66 HG22 ILE 8 2HG2 ILE 8 -7.650 -3.026 -1.112
67 HG23 ILE 8 3HG2 ILE 8 -6.014 -3.664 -1.275
68 HD11 ILE 8 3HD1 ILE 8 -7.621 0.792 -3.036
69 HD12 ILE 8 1HD1 ILE 8 -7.282 -0.901 -3.396
70 HD13 ILE 8 2HD1 ILE 8 -5.952 0.225 -3.123
71 HA PRO 9 HA PRO 9 -3.753 -4.382 3.011
72 HB2 PRO 9 2HB PRO 9 -5.889 -6.375 2.380
73 HB3 PRO 9 1HB PRO 9 -4.979 -6.137 3.877
74 HG2 PRO 9 2HG PRO 9 -7.480 -5.256 3.654
75 HG3 PRO 9 1HG PRO 9 -6.253 -4.312 4.520
76 HD2 PRO 9 2HD PRO 9 -7.466 -3.845 1.847
77 HD3 PRO 9 1HD PRO 9 -6.844 -2.676 3.029
78 H ALA 10 H ALA 10 -5.421 -5.261 0.011
79 HA ALA 10 HA ALA 10 -3.678 -7.350 -0.741
80 HB1 ALA 10 1HB ALA 10 -4.695 -7.182 -2.935
81 HB2 ALA 10 2HB ALA 10 -5.394 -5.619 -2.510
82 HB3 ALA 10 3HB ALA 10 -5.922 -7.079 -1.674
83 H CYS 11 H CYS 11 -3.604 -3.865 -1.373
84 HA CYS 11 HA CYS 11 -1.284 -4.187 -3.114
85 HB2 CYS 11 2HB CYS 11 -3.221 -2.504 -3.498
86 HB3 CYS 11 1HB CYS 11 -2.433 -1.541 -2.254
87 H ARG 12 H ARG 12 -2.134 -2.999 0.069
88 HA ARG 12 HA ARG 12 0.345 -1.791 0.698
89 HB2 ARG 12 2HB ARG 12 -1.901 -1.540 1.883
90 HB3 ARG 12 1HB ARG 12 -1.524 -3.047 2.693
91 HG2 ARG 12 2HG ARG 12 0.572 -2.001 3.532
92 HG3 ARG 12 1HG ARG 12 0.014 -0.469 2.852
93 HD2 ARG 12 2HD ARG 12 -1.998 -0.596 4.246
94 HD3 ARG 12 1HD ARG 12 -1.423 -2.116 4.930
95 HE ARG 12 HE ARG 12 0.606 -0.546 5.547
96 HH11 ARG 12 1HH1 ARG 12 -2.817 0.166 5.704
97 HH12 ARG 12 2HH1 ARG 12 -2.673 1.201 7.087
98 HH21 ARG 12 1HH2 ARG 12 0.819 0.843 7.341
99 HH22 ARG 12 2HH2 ARG 12 -0.590 1.593 8.021
100 H ARG 13 H ARG 13 -0.795 -5.052 0.755
101 HA ARG 13 HA ARG 13 0.958 -6.285 2.502
102 HB2 ARG 13 2HB ARG 13 -0.904 -7.447 1.414
103 HB3 ARG 13 1HB ARG 13 -0.083 -7.336 -0.135
104 HG2 ARG 13 2HG ARG 13 1.716 -8.760 0.718
105 HG3 ARG 13 1HG ARG 13 0.878 -8.879 2.267
106 HD2 ARG 13 2HD ARG 13 0.507 -10.838 0.797
107 HD3 ARG 13 1HD ARG 13 -0.982 -10.003 1.234
108 HE ARG 13 HE ARG 13 -0.579 -8.864 -1.071
109 HH11 ARG 13 1HH1 ARG 13 0.030 -12.212 -0.259
110 HH12 ARG 13 2HH1 ARG 13 -0.261 -12.794 -1.864
111 HH21 ARG 13 1HH2 ARG 13 -0.979 -9.619 -3.194
112 HH22 ARG 13 2HH2 ARG 13 -0.837 -11.310 -3.544
113 H ASN 14 H ASN 14 1.477 -5.342 -0.864
114 HA ASN 14 HA ASN 14 4.272 -6.235 -0.679
115 HB2 ASN 14 2HB ASN 14 2.755 -6.976 -2.604
116 HB3 ASN 14 1HB ASN 14 2.852 -5.317 -3.182
117 HD21 ASN 14 1HD2 ASN 14 3.848 -6.047 -5.085
118 HD22 ASN 14 2HD2 ASN 14 5.509 -6.520 -5.111
119 H HIS 15 H HIS 15 2.764 -3.653 0.233
120 HA HIS 15 HA HIS 15 4.865 -1.816 -0.702
121 HB2 HIS 15 2HB HIS 15 1.903 -1.243 -0.519
122 HB3 HIS 15 1HB HIS 15 3.117 0.026 -0.608
123 HD1 HIS 15 1HD HIS 15 4.528 -2.297 -2.785
124 HD2 HIS 15 2HD HIS 15 1.132 0.091 -3.028
125 HE1 HIS 15 1HE HIS 15 4.013 -2.094 -5.239
126 HE2 HIS 15 2HE HIS 15 1.839 -0.826 -5.336
127 H LYS 16 H LYS 16 4.386 -3.463 1.694
128 HA LYS 16 HA LYS 16 3.538 -1.908 3.874
129 HB2 LYS 16 2HB LYS 16 3.847 -4.420 3.776
130 HB3 LYS 16 1HB LYS 16 5.570 -4.136 3.975
131 HG2 LYS 16 2HG LYS 16 5.082 -2.983 6.118
132 HG3 LYS 16 1HG LYS 16 3.385 -3.429 5.922
133 HD2 LYS 16 2HD LYS 16 5.705 -5.353 6.098
134 HD3 LYS 16 1HD LYS 16 4.572 -4.987 7.399
135 HE2 LYS 16 2HE LYS 16 2.742 -5.912 6.137
136 HE3 LYS 16 1HE LYS 16 3.777 -6.134 4.727
137 HZ1 LYS 16 3HZ LYS 16 4.086 -7.523 7.334
138 HZ2 LYS 16 1HZ LYS 16 5.080 -7.734 5.983
139 HZ3 LYS 16 2HZ LYS 16 3.458 -8.205 5.920
140 H LYS 17 H LYS 17 6.549 -2.024 2.165
141 HA LYS 17 HA LYS 17 8.147 -0.875 4.212
142 HB2 LYS 17 2HB LYS 17 8.674 -2.060 1.815
143 HB3 LYS 17 1HB LYS 17 8.970 -0.372 1.438
144 HG2 LYS 17 2HG LYS 17 10.248 -0.741 3.864
145 HG3 LYS 17 1HG LYS 17 10.576 -2.227 2.973
146 HD2 LYS 17 2HD LYS 17 12.324 -0.607 2.535
147 HD3 LYS 17 1HD LYS 17 11.378 -0.874 1.072
148 HE2 LYS 17 2HE LYS 17 11.905 1.510 1.446
149 HE3 LYS 17 1HE LYS 17 10.172 1.191 1.418
150 HZ1 LYS 17 3HZ LYS 17 11.240 2.674 3.269
151 HZ2 LYS 17 1HZ LYS 17 11.545 1.183 4.007
152 HZ3 LYS 17 2HZ LYS 17 9.955 1.634 3.631
153 H PHE 18 H PHE 18 6.015 0.372 1.846
154 HA PHE 18 HA PHE 18 7.012 3.091 2.165
155 HB2 PHE 18 2HB PHE 18 4.737 1.990 0.497
156 HB3 PHE 18 1HB PHE 18 5.251 3.674 0.509
157 HD1 PHE 18 2HD PHE 18 7.559 4.239 -0.297
158 HD2 PHE 18 1HD PHE 18 5.817 0.394 -0.843
159 HE1 PHE 18 2HE PHE 18 9.194 3.755 -2.071
160 HE2 PHE 18 1HE PHE 18 7.449 -0.097 -2.618
161 HZ PHE 18 HZ PHE 18 9.138 1.586 -3.236
162 H CYS 19 H CYS 19 4.098 1.194 2.772
163 HA CYS 19 HA CYS 19 2.939 3.423 4.263
164 HB2 CYS 19 2HB CYS 19 1.559 0.790 3.887
165 HB3 CYS 19 1HB CYS 19 0.870 2.399 4.043
166 HN1 NH2 20 1H CYS 19 4.925 2.864 5.703
167 HN2 NH2 20 2H CYS 19 4.569 1.855 7.060
Start of MODEL 8
1 H1 PHE 1 1HT PHE 1 3.107 7.535 -7.193
2 H2 PHE 1 2HT PHE 1 4.620 7.447 -6.442
3 H3 PHE 1 3HT PHE 1 3.374 8.345 -5.734
4 HA PHE 1 HA PHE 1 3.297 5.420 -6.151
5 HB2 PHE 1 2HB PHE 1 5.002 5.951 -4.501
6 HB3 PHE 1 1HB PHE 1 3.911 7.053 -3.672
7 HD1 PHE 1 1HD PHE 1 4.296 3.474 -4.610
8 HD2 PHE 1 2HD PHE 1 2.633 6.297 -1.894
9 HE1 PHE 1 1HE PHE 1 3.545 1.633 -3.161
10 HE2 PHE 1 2HE PHE 1 1.879 4.462 -0.441
11 HZ PHE 1 HZ PHE 1 2.335 2.126 -1.073
12 H ASN 2 H ASN 2 1.408 4.442 -5.428
13 HA ASN 2 HA ASN 2 -0.866 6.241 -5.160
14 HB2 ASN 2 2HB ASN 2 -1.044 4.396 -6.770
15 HB3 ASN 2 1HB ASN 2 -0.751 3.232 -5.481
16 HD21 ASN 2 1HD2 ASN 2 -2.715 2.205 -5.868
17 HD22 ASN 2 2HD2 ASN 2 -4.223 2.911 -5.411
18 H TRP 3 H TRP 3 -0.902 6.989 -3.101
19 HA TRP 3 HA TRP 3 -0.236 5.536 -0.800
20 HB2 TRP 3 2HB TRP 3 -1.435 7.339 0.436
21 HB3 TRP 3 1HB TRP 3 -0.278 7.947 -0.742
22 HD1 TRP 3 HD TRP 3 -1.303 9.105 -2.972
23 HE1 TRP 3 1HE TRP 3 -3.570 10.247 -3.386
24 HE3 TRP 3 3HE TRP 3 -3.880 7.279 1.051
25 HZ2 TRP 3 2HZ TRP 3 -6.113 10.364 -2.167
26 HZ3 TRP 3 3HZ TRP 3 -6.225 7.959 1.354
27 HH2 TRP 3 HH TRP 3 -7.317 9.470 -0.222
28 H ARG 4 H ARG 4 -3.086 5.564 -2.702
29 HA ARG 4 HA ARG 4 -4.959 4.726 -0.788
30 HB2 ARG 4 2HB ARG 4 -4.797 4.694 -3.745
31 HB3 ARG 4 1HB ARG 4 -5.957 3.607 -3.000
32 HG2 ARG 4 2HG ARG 4 -5.837 6.566 -2.463
33 HG3 ARG 4 1HG ARG 4 -6.884 5.819 -3.672
34 HD2 ARG 4 2HD ARG 4 -7.977 4.509 -1.932
35 HD3 ARG 4 1HD ARG 4 -6.911 5.210 -0.717
36 HE ARG 4 HE ARG 4 -8.082 7.375 -1.847
37 HH11 ARG 4 1HH1 ARG 4 -9.334 4.427 -0.444
38 HH12 ARG 4 2HH1 ARG 4 -10.804 5.155 0.110
39 HH21 ARG 4 1HH2 ARG 4 -10.025 8.354 -1.115
40 HH22 ARG 4 2HH2 ARG 4 -11.198 7.398 -0.274
41 H CYS 5 H CYS 5 -2.456 3.103 -2.394
42 HA CYS 5 HA CYS 5 -3.317 0.442 -2.231
43 HB2 CYS 5 2HB CYS 5 -0.664 1.793 -2.354
44 HB3 CYS 5 1HB CYS 5 -0.705 0.087 -1.920
45 H CYS 6 H CYS 6 -1.970 2.625 0.138
46 HA CYS 6 HA CYS 6 -1.371 0.597 2.074
47 HB2 CYS 6 2HB CYS 6 -1.865 3.489 2.744
48 HB3 CYS 6 1HB CYS 6 -0.767 2.345 3.514
49 H LEU 7 H LEU 7 -4.236 1.988 1.001
50 HA LEU 7 HA LEU 7 -5.644 1.403 3.497
51 HB2 LEU 7 2HB LEU 7 -6.640 2.701 0.956
52 HB3 LEU 7 1HB LEU 7 -7.586 2.479 2.416
53 HG LEU 7 HG LEU 7 -5.123 4.210 2.171
54 HD11 LEU 7 1HD1 LEU 7 -6.680 6.072 2.438
55 HD12 LEU 7 2HD1 LEU 7 -8.036 4.943 2.424
56 HD13 LEU 7 3HD1 LEU 7 -7.035 5.137 0.985
57 HD21 LEU 7 3HD2 LEU 7 -5.353 3.250 4.401
58 HD22 LEU 7 1HD2 LEU 7 -7.024 3.806 4.479
59 HD23 LEU 7 2HD2 LEU 7 -5.706 4.978 4.420
60 H ILE 8 H ILE 8 -4.727 -0.046 0.698
61 HA ILE 8 HA ILE 8 -7.003 -1.925 0.700
62 HB ILE 8 HB ILE 8 -5.004 -1.438 -1.523
63 HG12 ILE 8 2HG1 ILE 8 -7.923 -0.651 -1.453
64 HG13 ILE 8 1HG1 ILE 8 -6.613 0.459 -1.069
65 HG21 ILE 8 1HG2 ILE 8 -5.872 -3.708 -1.506
66 HG22 ILE 8 2HG2 ILE 8 -6.527 -2.809 -2.875
67 HG23 ILE 8 3HG2 ILE 8 -7.525 -3.095 -1.449
68 HD11 ILE 8 3HD1 ILE 8 -7.382 0.750 -3.353
69 HD12 ILE 8 1HD1 ILE 8 -7.021 -0.941 -3.701
70 HD13 ILE 8 2HD1 ILE 8 -5.714 0.178 -3.317
71 HA PRO 9 HA PRO 9 -4.084 -4.517 2.964
72 HB2 PRO 9 2HB PRO 9 -6.128 -6.470 1.988
73 HB3 PRO 9 1HB PRO 9 -5.394 -6.316 3.589
74 HG2 PRO 9 2HG PRO 9 -7.844 -5.395 3.144
75 HG3 PRO 9 1HG PRO 9 -6.709 -4.490 4.163
76 HD2 PRO 9 2HD PRO 9 -7.626 -3.932 1.389
77 HD3 PRO 9 1HD PRO 9 -7.143 -2.803 2.669
78 H ALA 10 H ALA 10 -5.363 -5.342 -0.241
79 HA ALA 10 HA ALA 10 -3.464 -7.361 -0.809
80 HB1 ALA 10 1HB ALA 10 -5.615 -7.189 -1.967
81 HB2 ALA 10 2HB ALA 10 -4.262 -7.216 -3.098
82 HB3 ALA 10 3HB ALA 10 -5.078 -5.694 -2.734
83 H CYS 11 H CYS 11 -3.489 -3.871 -1.404
84 HA CYS 11 HA CYS 11 -1.000 -4.073 -2.909
85 HB2 CYS 11 2HB CYS 11 -3.034 -2.466 -3.380
86 HB3 CYS 11 1HB CYS 11 -2.246 -1.451 -2.176
87 H ARG 12 H ARG 12 -2.188 -3.048 0.210
88 HA ARG 12 HA ARG 12 0.121 -1.677 1.094
89 HB2 ARG 12 2HB ARG 12 -2.124 -1.541 2.155
90 HB3 ARG 12 1HB ARG 12 -1.910 -3.169 2.755
91 HG2 ARG 12 2HG ARG 12 -0.023 -2.476 4.097
92 HG3 ARG 12 1HG ARG 12 -0.138 -0.839 3.449
93 HD2 ARG 12 2HD ARG 12 -1.141 -1.014 5.678
94 HD3 ARG 12 1HD ARG 12 -2.328 -0.567 4.456
95 HE ARG 12 HE ARG 12 -2.065 -3.329 5.454
96 HH11 ARG 12 1HH1 ARG 12 -3.999 -0.531 4.624
97 HH12 ARG 12 2HH1 ARG 12 -5.509 -1.303 5.000
98 HH21 ARG 12 1HH2 ARG 12 -4.057 -4.353 5.958
99 HH22 ARG 12 2HH2 ARG 12 -5.540 -3.480 5.765
100 H ARG 13 H ARG 13 -0.795 -5.030 1.036
101 HA ARG 13 HA ARG 13 1.163 -6.011 2.812
102 HB2 ARG 13 2HB ARG 13 -0.733 -7.137 0.901
103 HB3 ARG 13 1HB ARG 13 0.758 -8.064 1.005
104 HG2 ARG 13 2HG ARG 13 -0.951 -7.302 3.364
105 HG3 ARG 13 1HG ARG 13 -1.002 -8.861 2.539
106 HD2 ARG 13 2HD ARG 13 1.509 -7.719 3.748
107 HD3 ARG 13 1HD ARG 13 0.402 -8.764 4.637
108 HE ARG 13 HE ARG 13 0.849 -10.425 2.789
109 HH11 ARG 13 1HH1 ARG 13 3.194 -7.994 3.694
110 HH12 ARG 13 2HH1 ARG 13 4.561 -8.943 3.222
111 HH21 ARG 13 1HH2 ARG 13 2.654 -11.691 2.161
112 HH22 ARG 13 2HH2 ARG 13 4.253 -11.055 2.348
113 H ASN 14 H ASN 14 1.262 -5.213 -0.582
114 HA ASN 14 HA ASN 14 3.918 -6.354 -0.903
115 HB2 ASN 14 2HB ASN 14 2.505 -6.666 -2.791
116 HB3 ASN 14 1HB ASN 14 1.994 -4.984 -2.782
117 HD21 ASN 14 1HD2 ASN 14 4.580 -7.189 -3.567
118 HD22 ASN 14 2HD2 ASN 14 5.444 -6.112 -4.603
119 H HIS 15 H HIS 15 2.398 -3.289 -0.340
120 HA HIS 15 HA HIS 15 4.998 -1.945 -0.696
121 HB2 HIS 15 2HB HIS 15 2.204 -0.791 -0.796
122 HB3 HIS 15 1HB HIS 15 3.679 0.167 -0.870
123 HD1 HIS 15 1HD HIS 15 5.240 -0.329 -3.020
124 HD2 HIS 15 2HD HIS 15 1.346 -1.764 -3.192
125 HE1 HIS 15 1HE HIS 15 4.809 -0.813 -5.447
126 HE2 HIS 15 2HE HIS 15 2.526 -1.873 -5.488
127 H LYS 16 H LYS 16 4.261 -3.449 1.647
128 HA LYS 16 HA LYS 16 3.388 -1.740 3.721
129 HB2 LYS 16 2HB LYS 16 3.545 -4.333 3.665
130 HB3 LYS 16 1HB LYS 16 5.202 -4.088 4.198
131 HG2 LYS 16 2HG LYS 16 3.140 -2.643 5.727
132 HG3 LYS 16 1HG LYS 16 3.119 -4.400 5.868
133 HD2 LYS 16 2HD LYS 16 5.083 -4.465 6.996
134 HD3 LYS 16 1HD LYS 16 5.769 -3.116 6.090
135 HE2 LYS 16 2HE LYS 16 3.638 -2.810 8.198
136 HE3 LYS 16 1HE LYS 16 5.364 -2.665 8.524
137 HZ1 LYS 16 3HZ LYS 16 3.596 -0.857 7.032
138 HZ2 LYS 16 1HZ LYS 16 5.223 -0.952 6.567
139 HZ3 LYS 16 2HZ LYS 16 4.816 -0.497 8.145
140 H LYS 17 H LYS 17 6.392 -2.090 2.123
141 HA LYS 17 HA LYS 17 8.061 -1.074 4.197
142 HB2 LYS 17 2HB LYS 17 8.572 -2.323 1.866
143 HB3 LYS 17 1HB LYS 17 8.842 -0.662 1.367
144 HG2 LYS 17 2HG LYS 17 10.477 -0.384 3.167
145 HG3 LYS 17 1HG LYS 17 10.219 -2.060 3.652
146 HD2 LYS 17 2HD LYS 17 11.146 -1.248 0.901
147 HD3 LYS 17 1HD LYS 17 12.247 -1.655 2.218
148 HE2 LYS 17 2HE LYS 17 11.185 -3.875 2.381
149 HE3 LYS 17 1HE LYS 17 10.150 -3.461 1.016
150 HZ1 LYS 17 3HZ LYS 17 13.115 -3.633 0.953
151 HZ2 LYS 17 1HZ LYS 17 12.129 -3.219 -0.359
152 HZ3 LYS 17 2HZ LYS 17 12.044 -4.771 0.308
153 H PHE 18 H PHE 18 6.219 0.302 1.582
154 HA PHE 18 HA PHE 18 7.267 2.962 1.980
155 HB2 PHE 18 2HB PHE 18 6.255 1.796 -0.199
156 HB3 PHE 18 1HB PHE 18 4.765 2.494 0.426
157 HD1 PHE 18 2HD PHE 18 4.855 5.024 1.019
158 HD2 PHE 18 1HD PHE 18 7.641 3.064 -1.531
159 HE1 PHE 18 2HE PHE 18 5.453 7.189 0.016
160 HE2 PHE 18 1HE PHE 18 8.246 5.226 -2.538
161 HZ PHE 18 HZ PHE 18 7.151 7.292 -1.766
162 H CYS 19 H CYS 19 4.272 1.201 2.660
163 HA CYS 19 HA CYS 19 3.187 3.529 4.035
164 HB2 CYS 19 2HB CYS 19 1.830 0.849 3.930
165 HB3 CYS 19 1HB CYS 19 1.114 2.447 4.050
166 HN1 NH2 20 1H CYS 19 4.710 3.620 5.714
167 HN2 NH2 20 2H CYS 19 4.650 2.527 7.051
Start of MODEL 9
1 H1 PHE 1 1HT PHE 1 4.495 7.715 -6.468
2 H2 PHE 1 2HT PHE 1 3.217 8.537 -5.723
3 H3 PHE 1 3HT PHE 1 2.966 7.738 -7.192
4 HA PHE 1 HA PHE 1 3.309 5.616 -6.181
5 HB2 PHE 1 2HB PHE 1 4.969 6.234 -4.517
6 HB3 PHE 1 1HB PHE 1 3.809 7.263 -3.685
7 HD1 PHE 1 2HD PHE 1 4.385 3.716 -4.661
8 HD2 PHE 1 1HD PHE 1 2.598 6.421 -1.903
9 HE1 PHE 1 2HE PHE 1 3.739 1.824 -3.228
10 HE2 PHE 1 1HE PHE 1 1.950 4.533 -0.466
11 HZ PHE 1 HZ PHE 1 2.519 2.231 -1.129
12 H ASN 2 H ASN 2 1.482 4.513 -5.491
13 HA ASN 2 HA ASN 2 -0.907 6.154 -5.223
14 HB2 ASN 2 2HB ASN 2 -0.897 4.253 -6.817
15 HB3 ASN 2 1HB ASN 2 -0.631 3.147 -5.473
16 HD21 ASN 2 1HD2 ASN 2 -2.494 2.007 -5.667
17 HD22 ASN 2 2HD2 ASN 2 -4.062 2.680 -5.399
18 H TRP 3 H TRP 3 -0.781 6.931 -3.136
19 HA TRP 3 HA TRP 3 -0.139 5.450 -0.851
20 HB2 TRP 3 2HB TRP 3 -1.331 7.278 0.393
21 HB3 TRP 3 1HB TRP 3 -0.114 7.846 -0.745
22 HD1 TRP 3 HD TRP 3 -0.995 9.127 -2.945
23 HE1 TRP 3 1HE TRP 3 -3.212 10.331 -3.443
24 HE3 TRP 3 3HE TRP 3 -3.835 7.212 0.853
25 HZ2 TRP 3 2HZ TRP 3 -5.818 10.458 -2.368
26 HZ3 TRP 3 3HZ TRP 3 -6.179 7.929 1.048
27 HH2 TRP 3 HH TRP 3 -7.149 9.518 -0.530
28 H ARG 4 H ARG 4 -2.976 5.531 -2.739
29 HA ARG 4 HA ARG 4 -4.899 4.754 -0.858
30 HB2 ARG 4 2HB ARG 4 -4.652 4.616 -3.816
31 HB3 ARG 4 1HB ARG 4 -5.906 3.657 -3.048
32 HG2 ARG 4 2HG ARG 4 -7.094 5.501 -2.376
33 HG3 ARG 4 1HG ARG 4 -5.666 6.537 -2.341
34 HD2 ARG 4 2HD ARG 4 -7.031 7.209 -4.188
35 HD3 ARG 4 1HD ARG 4 -5.594 6.413 -4.825
36 HE ARG 4 HE ARG 4 -8.219 5.081 -4.610
37 HH11 ARG 4 1HH1 ARG 4 -5.225 5.712 -6.309
38 HH12 ARG 4 2HH1 ARG 4 -5.648 4.747 -7.684
39 HH21 ARG 4 1HH2 ARG 4 -8.780 3.788 -6.418
40 HH22 ARG 4 2HH2 ARG 4 -7.675 3.645 -7.744
41 H CYS 5 H CYS 5 -2.414 3.056 -2.419
42 HA CYS 5 HA CYS 5 -3.326 0.417 -2.232
43 HB2 CYS 5 2HB CYS 5 -0.641 1.710 -2.336
44 HB3 CYS 5 1HB CYS 5 -0.731 0.005 -1.909
45 H CYS 6 H CYS 6 -1.958 2.601 0.123
46 HA CYS 6 HA CYS 6 -1.391 0.597 2.086
47 HB2 CYS 6 2HB CYS 6 -1.899 3.495 2.722
48 HB3 CYS 6 1HB CYS 6 -0.810 2.362 3.518
49 H LEU 7 H LEU 7 -4.249 2.008 0.978
50 HA LEU 7 HA LEU 7 -5.693 1.481 3.456
51 HB2 LEU 7 2HB LEU 7 -6.740 2.560 0.840
52 HB3 LEU 7 1HB LEU 7 -7.604 2.517 2.364
53 HG LEU 7 HG LEU 7 -5.110 4.144 1.869
54 HD11 LEU 7 1HD1 LEU 7 -8.000 5.000 1.927
55 HD12 LEU 7 2HD1 LEU 7 -6.957 4.953 0.505
56 HD13 LEU 7 3HD1 LEU 7 -6.606 6.076 1.820
57 HD21 LEU 7 3HD2 LEU 7 -5.434 3.518 4.205
58 HD22 LEU 7 1HD2 LEU 7 -7.083 4.145 4.152
59 HD23 LEU 7 2HD2 LEU 7 -5.715 5.243 3.966
60 H ILE 8 H ILE 8 -4.792 -0.016 0.631
61 HA ILE 8 HA ILE 8 -7.015 -1.950 0.742
62 HB ILE 8 HB ILE 8 -5.057 -1.483 -1.519
63 HG12 ILE 8 2HG1 ILE 8 -6.584 0.420 -1.258
64 HG13 ILE 8 1HG1 ILE 8 -6.951 -0.481 -2.724
65 HG21 ILE 8 1HG2 ILE 8 -6.550 -2.928 -2.820
66 HG22 ILE 8 2HG2 ILE 8 -7.530 -3.204 -1.379
67 HG23 ILE 8 3HG2 ILE 8 -5.862 -3.774 -1.433
68 HD11 ILE 8 3HD1 ILE 8 -8.456 -0.651 -0.122
69 HD12 ILE 8 1HD1 ILE 8 -8.824 -1.560 -1.587
70 HD13 ILE 8 2HD1 ILE 8 -8.977 0.197 -1.579
71 HA PRO 9 HA PRO 9 -4.025 -4.449 3.019
72 HB2 PRO 9 2HB PRO 9 -6.069 -6.452 2.150
73 HB3 PRO 9 1HB PRO 9 -5.307 -6.235 3.730
74 HG2 PRO 9 2HG PRO 9 -7.776 -5.359 3.301
75 HG3 PRO 9 1HG PRO 9 -6.635 -4.409 4.269
76 HD2 PRO 9 2HD PRO 9 -7.605 -3.950 1.495
77 HD3 PRO 9 1HD PRO 9 -7.117 -2.775 2.732
78 H ALA 10 H ALA 10 -5.358 -5.343 -0.140
79 HA ALA 10 HA ALA 10 -3.474 -7.378 -0.703
80 HB1 ALA 10 1HB ALA 10 -5.643 -7.225 -1.826
81 HB2 ALA 10 2HB ALA 10 -4.311 -7.273 -2.980
82 HB3 ALA 10 3HB ALA 10 -5.119 -5.745 -2.629
83 H CYS 11 H CYS 11 -3.512 -3.900 -1.370
84 HA CYS 11 HA CYS 11 -1.038 -4.134 -2.895
85 HB2 CYS 11 2HB CYS 11 -3.058 -2.544 -3.412
86 HB3 CYS 11 1HB CYS 11 -2.305 -1.505 -2.206
87 H ARG 12 H ARG 12 -2.201 -3.057 0.213
88 HA ARG 12 HA ARG 12 0.112 -1.674 1.061
89 HB2 ARG 12 2HB ARG 12 -2.129 -1.551 2.144
90 HB3 ARG 12 1HB ARG 12 -1.880 -3.165 2.771
91 HG2 ARG 12 2HG ARG 12 0.023 -2.412 4.064
92 HG3 ARG 12 1HG ARG 12 -0.139 -0.789 3.391
93 HD2 ARG 12 2HD ARG 12 -1.095 -0.940 5.639
94 HD3 ARG 12 1HD ARG 12 -2.318 -0.550 4.432
95 HE ARG 12 HE ARG 12 -1.963 -3.282 5.484
96 HH11 ARG 12 1HH1 ARG 12 -3.986 -0.555 4.631
97 HH12 ARG 12 2HH1 ARG 12 -5.468 -1.356 5.053
98 HH21 ARG 12 1HH2 ARG 12 -3.916 -4.344 6.052
99 HH22 ARG 12 2HH2 ARG 12 -5.425 -3.515 5.869
100 H ARG 13 H ARG 13 -0.787 -5.023 1.002
101 HA ARG 13 HA ARG 13 1.182 -6.016 2.762
102 HB2 ARG 13 2HB ARG 13 -0.801 -7.307 1.994
103 HB3 ARG 13 1HB ARG 13 -0.069 -7.432 0.401
104 HG2 ARG 13 2HG ARG 13 0.277 -9.475 1.629
105 HG3 ARG 13 1HG ARG 13 1.823 -8.657 1.387
106 HD2 ARG 13 2HD ARG 13 1.437 -7.644 3.705
107 HD3 ARG 13 1HD ARG 13 0.181 -8.867 3.895
108 HE ARG 13 HE ARG 13 2.913 -9.685 3.200
109 HH11 ARG 13 1HH1 ARG 13 0.246 -9.655 5.461
110 HH12 ARG 13 2HH1 ARG 13 0.918 -10.881 6.481
111 HH21 ARG 13 1HH2 ARG 13 3.816 -11.311 4.540
112 HH22 ARG 13 2HH2 ARG 13 2.960 -11.828 5.955
113 H ASN 14 H ASN 14 1.249 -5.167 -0.620
114 HA ASN 14 HA ASN 14 3.904 -6.292 -0.996
115 HB2 ASN 14 2HB ASN 14 2.449 -6.569 -2.864
116 HB3 ASN 14 1HB ASN 14 1.962 -4.879 -2.826
117 HD21 ASN 14 1HD2 ASN 14 4.517 -7.104 -3.663
118 HD22 ASN 14 2HD2 ASN 14 5.379 -6.025 -4.698
119 H HIS 15 H HIS 15 2.389 -3.249 -0.334
120 HA HIS 15 HA HIS 15 4.981 -1.892 -0.695
121 HB2 HIS 15 2HB HIS 15 2.182 -0.747 -0.756
122 HB3 HIS 15 1HB HIS 15 3.652 0.221 -0.812
123 HD1 HIS 15 1HD HIS 15 5.232 -0.274 -2.965
124 HD2 HIS 15 2HD HIS 15 1.311 -1.628 -3.177
125 HE1 HIS 15 1HE HIS 15 4.801 -0.705 -5.402
126 HE2 HIS 15 2HE HIS 15 2.501 -1.731 -5.467
127 H LYS 16 H LYS 16 4.265 -3.447 1.617
128 HA LYS 16 HA LYS 16 3.402 -1.790 3.737
129 HB2 LYS 16 2HB LYS 16 3.577 -4.388 3.597
130 HB3 LYS 16 1HB LYS 16 5.223 -4.139 4.164
131 HG2 LYS 16 2HG LYS 16 3.111 -2.764 5.694
132 HG3 LYS 16 1HG LYS 16 3.124 -4.525 5.792
133 HD2 LYS 16 2HD LYS 16 5.056 -4.573 6.965
134 HD3 LYS 16 1HD LYS 16 5.748 -3.212 6.079
135 HE2 LYS 16 2HE LYS 16 3.593 -2.957 8.174
136 HE3 LYS 16 1HE LYS 16 5.315 -2.761 8.497
137 HZ1 LYS 16 3HZ LYS 16 3.515 -1.024 6.942
138 HZ2 LYS 16 1HZ LYS 16 5.171 -1.032 6.593
139 HZ3 LYS 16 2HZ LYS 16 4.631 -0.607 8.139
140 H LYS 17 H LYS 17 6.407 -2.114 2.120
141 HA LYS 17 HA LYS 17 8.042 -1.098 4.231
142 HB2 LYS 17 2HB LYS 17 8.407 -1.901 1.430
143 HB3 LYS 17 1HB LYS 17 9.449 -0.581 1.942
144 HG2 LYS 17 2HG LYS 17 10.224 -1.966 3.830
145 HG3 LYS 17 1HG LYS 17 9.233 -3.296 3.228
146 HD2 LYS 17 2HD LYS 17 10.513 -3.414 1.204
147 HD3 LYS 17 1HD LYS 17 11.401 -1.948 1.623
148 HE2 LYS 17 2HE LYS 17 11.475 -4.527 3.187
149 HE3 LYS 17 1HE LYS 17 12.696 -4.019 2.021
150 HZ1 LYS 17 3HZ LYS 17 13.373 -3.501 4.276
151 HZ2 LYS 17 1HZ LYS 17 11.977 -2.575 4.517
152 HZ3 LYS 17 2HZ LYS 17 13.141 -2.075 3.395
153 H PHE 18 H PHE 18 6.083 0.271 1.753
154 HA PHE 18 HA PHE 18 7.254 2.915 2.060
155 HB2 PHE 18 2HB PHE 18 6.208 1.730 -0.113
156 HB3 PHE 18 1HB PHE 18 4.755 2.517 0.496
157 HD1 PHE 18 1HD PHE 18 4.885 5.035 0.953
158 HD2 PHE 18 2HD PHE 18 7.752 2.915 -1.369
159 HE1 PHE 18 1HE PHE 18 5.596 7.147 -0.091
160 HE2 PHE 18 2HE PHE 18 8.470 5.023 -2.415
161 HZ PHE 18 HZ PHE 18 7.392 7.143 -1.776
162 H CYS 19 H CYS 19 4.238 1.192 2.721
163 HA CYS 19 HA CYS 19 3.161 3.531 4.084
164 HB2 CYS 19 2HB CYS 19 1.776 0.865 3.970
165 HB3 CYS 19 1HB CYS 19 1.076 2.473 4.071
166 HN1 NH2 20 1H CYS 19 4.591 3.646 5.814
167 HN2 NH2 20 2H CYS 19 4.540 2.530 7.131
Start of MODEL 10
1 H1 PHE 1 1HT PHE 1 2.813 7.586 -7.487
2 H2 PHE 1 2HT PHE 1 4.353 7.592 -6.786
3 H3 PHE 1 3HT PHE 1 3.098 8.482 -6.082
4 HA PHE 1 HA PHE 1 3.121 5.538 -6.344
5 HB2 PHE 1 2HB PHE 1 4.854 6.207 -4.783
6 HB3 PHE 1 1HB PHE 1 3.758 7.326 -3.982
7 HD1 PHE 1 1HD PHE 1 4.218 3.709 -4.720
8 HD2 PHE 1 2HD PHE 1 2.562 6.643 -2.121
9 HE1 PHE 1 1HE PHE 1 3.573 1.938 -3.140
10 HE2 PHE 1 2HE PHE 1 1.914 4.876 -0.535
11 HZ PHE 1 HZ PHE 1 2.419 2.521 -1.044
12 H ASN 2 H ASN 2 1.277 4.537 -5.590
13 HA ASN 2 HA ASN 2 -1.038 6.275 -5.269
14 HB2 ASN 2 2HB ASN 2 -1.196 4.391 -6.850
15 HB3 ASN 2 1HB ASN 2 -0.869 3.262 -5.538
16 HD21 ASN 2 1HD2 ASN 2 -2.795 2.180 -5.747
17 HD22 ASN 2 2HD2 ASN 2 -4.318 2.881 -5.328
18 H TRP 3 H TRP 3 -0.966 7.052 -3.212
19 HA TRP 3 HA TRP 3 -0.219 5.620 -0.924
20 HB2 TRP 3 2HB TRP 3 -1.508 7.436 0.305
21 HB3 TRP 3 1HB TRP 3 -0.226 7.984 -0.769
22 HD1 TRP 3 HD TRP 3 -0.953 9.304 -2.980
23 HE1 TRP 3 1HE TRP 3 -3.128 10.517 -3.622
24 HE3 TRP 3 3HE TRP 3 -4.060 7.338 0.574
25 HZ2 TRP 3 2HZ TRP 3 -5.807 10.629 -2.738
26 HZ3 TRP 3 3HZ TRP 3 -6.413 8.053 0.608
27 HH2 TRP 3 HH TRP 3 -7.267 9.665 -1.015
28 H ARG 4 H ARG 4 -3.111 5.593 -2.741
29 HA ARG 4 HA ARG 4 -4.942 4.795 -0.770
30 HB2 ARG 4 2HB ARG 4 -4.826 4.678 -3.729
31 HB3 ARG 4 1HB ARG 4 -5.986 3.632 -2.928
32 HG2 ARG 4 2HG ARG 4 -7.142 5.462 -1.995
33 HG3 ARG 4 1HG ARG 4 -5.831 6.579 -2.382
34 HD2 ARG 4 2HD ARG 4 -6.270 6.115 -4.801
35 HD3 ARG 4 1HD ARG 4 -7.696 5.205 -4.307
36 HE ARG 4 HE ARG 4 -8.445 7.364 -3.257
37 HH11 ARG 4 1HH1 ARG 4 -6.277 7.306 -5.998
38 HH12 ARG 4 2HH1 ARG 4 -6.764 8.861 -6.587
39 HH21 ARG 4 1HH2 ARG 4 -9.095 9.426 -4.021
40 HH22 ARG 4 2HH2 ARG 4 -8.373 10.073 -5.456
41 H CYS 5 H CYS 5 -2.472 3.150 -2.411
42 HA CYS 5 HA CYS 5 -3.301 0.484 -2.169
43 HB2 CYS 5 2HB CYS 5 -0.668 1.863 -2.396
44 HB3 CYS 5 1HB CYS 5 -0.676 0.166 -1.929
45 H CYS 6 H CYS 6 -1.934 2.736 0.112
46 HA CYS 6 HA CYS 6 -1.211 0.788 2.076
47 HB2 CYS 6 2HB CYS 6 -1.812 3.682 2.659
48 HB3 CYS 6 1HB CYS 6 -0.683 2.606 3.478
49 H LEU 7 H LEU 7 -4.163 2.066 1.063
50 HA LEU 7 HA LEU 7 -5.484 1.456 3.605
51 HB2 LEU 7 2HB LEU 7 -6.635 2.714 1.112
52 HB3 LEU 7 1HB LEU 7 -7.436 2.568 2.664
53 HG LEU 7 HG LEU 7 -4.943 4.205 2.195
54 HD11 LEU 7 1HD1 LEU 7 -6.414 6.152 2.305
55 HD12 LEU 7 2HD1 LEU 7 -7.819 5.090 2.389
56 HD13 LEU 7 3HD1 LEU 7 -6.820 5.118 0.936
57 HD21 LEU 7 3HD2 LEU 7 -6.856 4.081 4.525
58 HD22 LEU 7 1HD2 LEU 7 -5.477 5.169 4.375
59 HD23 LEU 7 2HD2 LEU 7 -5.219 3.429 4.493
60 H ILE 8 H ILE 8 -4.536 -0.096 0.926
61 HA ILE 8 HA ILE 8 -6.863 -1.908 0.922
62 HB ILE 8 HB ILE 8 -4.928 -1.467 -1.361
63 HG12 ILE 8 2HG1 ILE 8 -7.807 -0.558 -1.177
64 HG13 ILE 8 1HG1 ILE 8 -6.432 0.495 -0.860
65 HG21 ILE 8 1HG2 ILE 8 -6.667 -2.724 -2.650
66 HG22 ILE 8 2HG2 ILE 8 -7.454 -3.090 -1.114
67 HG23 ILE 8 3HG2 ILE 8 -5.821 -3.677 -1.430
68 HD11 ILE 8 3HD1 ILE 8 -7.291 0.808 -3.109
69 HD12 ILE 8 1HD1 ILE 8 -7.022 -0.899 -3.461
70 HD13 ILE 8 2HD1 ILE 8 -5.650 0.163 -3.143
71 HA PRO 9 HA PRO 9 -3.824 -4.611 2.870
72 HB2 PRO 9 2HB PRO 9 -5.513 -6.809 2.798
73 HB3 PRO 9 1HB PRO 9 -5.456 -5.610 4.093
74 HG2 PRO 9 2HG PRO 9 -7.334 -5.817 1.777
75 HG3 PRO 9 1HG PRO 9 -7.669 -5.364 3.460
76 HD2 PRO 9 2HD PRO 9 -7.508 -3.515 1.531
77 HD3 PRO 9 1HD PRO 9 -6.881 -3.199 3.164
78 H ALA 10 H ALA 10 -5.242 -4.881 -0.233
79 HA ALA 10 HA ALA 10 -3.795 -7.276 -0.973
80 HB1 ALA 10 1HB ALA 10 -4.809 -6.971 -3.168
81 HB2 ALA 10 2HB ALA 10 -5.430 -5.396 -2.674
82 HB3 ALA 10 3HB ALA 10 -6.025 -6.862 -1.895
83 H CYS 11 H CYS 11 -3.458 -3.803 -1.276
84 HA CYS 11 HA CYS 11 -1.148 -4.151 -3.050
85 HB2 CYS 11 2HB CYS 11 -3.032 -2.437 -3.494
86 HB3 CYS 11 1HB CYS 11 -2.289 -1.495 -2.207
87 H ARG 12 H ARG 12 -2.061 -2.889 0.120
88 HA ARG 12 HA ARG 12 0.479 -1.829 0.797
89 HB2 ARG 12 2HB ARG 12 -1.838 -1.508 1.939
90 HB3 ARG 12 1HB ARG 12 -1.402 -2.946 2.843
91 HG2 ARG 12 2HG ARG 12 0.730 -1.770 3.485
92 HG3 ARG 12 1HG ARG 12 0.026 -0.303 2.800
93 HD2 ARG 12 2HD ARG 12 -1.856 -0.487 4.350
94 HD3 ARG 12 1HD ARG 12 -1.153 -1.953 5.033
95 HE ARG 12 HE ARG 12 0.831 -0.320 5.490
96 HH11 ARG 12 1HH1 ARG 12 -2.579 0.441 5.707
97 HH12 ARG 12 2HH1 ARG 12 -2.373 1.584 6.994
98 HH21 ARG 12 1HH2 ARG 12 1.122 1.210 7.154
99 HH22 ARG 12 2HH2 ARG 12 -0.258 2.026 7.820
100 H ARG 13 H ARG 13 -0.745 -4.973 0.591
101 HA ARG 13 HA ARG 13 0.689 -6.414 2.458
102 HB2 ARG 13 2HB ARG 13 -1.060 -7.267 0.845
103 HB3 ARG 13 1HB ARG 13 0.196 -7.307 -0.383
104 HG2 ARG 13 2HG ARG 13 1.453 -8.923 0.931
105 HG3 ARG 13 1HG ARG 13 0.223 -8.861 2.197
106 HD2 ARG 13 2HD ARG 13 -0.101 -9.853 -0.631
107 HD3 ARG 13 1HD ARG 13 -0.182 -10.802 0.852
108 HE ARG 13 HE ARG 13 -2.157 -9.055 1.246
109 HH11 ARG 13 1HH1 ARG 13 -1.350 -10.980 -1.559
110 HH12 ARG 13 2HH1 ARG 13 -2.988 -11.115 -2.103
111 HH21 ARG 13 1HH2 ARG 13 -4.325 -9.225 0.539
112 HH22 ARG 13 2HH2 ARG 13 -4.690 -10.113 -0.902
113 H ASN 14 H ASN 14 1.691 -5.495 -0.826
114 HA ASN 14 HA ASN 14 4.416 -6.376 -0.217
115 HB2 ASN 14 2HB ASN 14 3.338 -7.076 -2.364
116 HB3 ASN 14 1HB ASN 14 3.291 -5.385 -2.847
117 HD21 ASN 14 1HD2 ASN 14 4.556 -5.999 -4.670
118 HD22 ASN 14 2HD2 ASN 14 6.262 -6.229 -4.521
119 H HIS 15 H HIS 15 2.516 -3.578 -0.273
120 HA HIS 15 HA HIS 15 4.853 -1.830 -0.619
121 HB2 HIS 15 2HB HIS 15 1.893 -1.297 -0.775
122 HB3 HIS 15 1HB HIS 15 3.061 0.011 -0.631
123 HD1 HIS 15 1HD HIS 15 4.698 0.350 -2.674
124 HD2 HIS 15 2HD HIS 15 1.639 -2.395 -3.292
125 HE1 HIS 15 1HE HIS 15 4.626 -0.031 -5.157
126 HE2 HIS 15 2HE HIS 15 2.651 -1.553 -5.517
127 H LYS 16 H LYS 16 4.086 -3.459 1.759
128 HA LYS 16 HA LYS 16 3.209 -1.765 3.837
129 HB2 LYS 16 2HB LYS 16 3.216 -4.269 3.893
130 HB3 LYS 16 1HB LYS 16 4.963 -4.217 4.073
131 HG2 LYS 16 2HG LYS 16 4.672 -2.953 6.175
132 HG3 LYS 16 1HG LYS 16 2.923 -3.133 6.003
133 HD2 LYS 16 2HD LYS 16 3.123 -5.540 6.120
134 HD3 LYS 16 1HD LYS 16 4.884 -5.421 6.163
135 HE2 LYS 16 2HE LYS 16 4.720 -4.189 8.290
136 HE3 LYS 16 1HE LYS 16 2.969 -4.385 8.251
137 HZ1 LYS 16 3HZ LYS 16 4.938 -6.605 8.341
138 HZ2 LYS 16 1HZ LYS 16 3.254 -6.769 8.357
139 HZ3 LYS 16 2HZ LYS 16 4.046 -6.038 9.661
140 H LYS 17 H LYS 17 6.218 -2.157 2.265
141 HA LYS 17 HA LYS 17 7.939 -1.210 4.297
142 HB2 LYS 17 2HB LYS 17 8.277 -1.117 1.295
143 HB3 LYS 17 1HB LYS 17 9.556 -0.886 2.472
144 HG2 LYS 17 2HG LYS 17 9.952 -3.065 2.388
145 HG3 LYS 17 1HG LYS 17 8.364 -3.343 3.107
146 HD2 LYS 17 2HD LYS 17 7.401 -3.239 0.790
147 HD3 LYS 17 1HD LYS 17 9.055 -3.210 0.174
148 HE2 LYS 17 2HE LYS 17 9.481 -5.364 1.298
149 HE3 LYS 17 1HE LYS 17 7.804 -5.393 1.842
150 HZ1 LYS 17 3HZ LYS 17 8.031 -6.735 -0.115
151 HZ2 LYS 17 1HZ LYS 17 8.746 -5.465 -0.973
152 HZ3 LYS 17 2HZ LYS 17 7.121 -5.365 -0.514
153 H PHE 18 H PHE 18 6.365 0.343 1.556
154 HA PHE 18 HA PHE 18 7.361 2.946 2.173
155 HB2 PHE 18 2HB PHE 18 6.485 1.954 -0.101
156 HB3 PHE 18 1HB PHE 18 4.922 2.506 0.488
157 HD1 PHE 18 2HD PHE 18 4.555 4.920 0.929
158 HD2 PHE 18 1HD PHE 18 8.096 3.469 -0.930
159 HE1 PHE 18 2HE PHE 18 5.053 7.189 0.116
160 HE2 PHE 18 1HE PHE 18 8.601 5.734 -1.745
161 HZ PHE 18 HZ PHE 18 7.079 7.597 -1.223
162 H CYS 19 H CYS 19 4.296 1.243 2.657
163 HA CYS 19 HA CYS 19 3.221 3.539 4.100
164 HB2 CYS 19 2HB CYS 19 1.781 0.923 3.759
165 HB3 CYS 19 1HB CYS 19 1.111 2.534 3.957
166 HN1 NH2 20 1H CYS 19 5.249 2.845 5.514
167 HN2 NH2 20 2H CYS 19 4.836 1.910 6.908
Start of MODEL 11
1 H1 PHE 1 1HT PHE 1 3.515 8.163 -5.900
2 H2 PHE 1 2HT PHE 1 3.221 7.233 -7.281
3 H3 PHE 1 3HT PHE 1 4.750 7.206 -6.554
4 HA PHE 1 HA PHE 1 3.483 5.209 -6.049
5 HB2 PHE 1 2HB PHE 1 5.136 5.957 -4.430
6 HB3 PHE 1 1HB PHE 1 3.991 7.097 -3.733
7 HD1 PHE 1 2HD PHE 1 4.392 3.445 -4.375
8 HD2 PHE 1 1HD PHE 1 2.818 6.489 -1.850
9 HE1 PHE 1 2HE PHE 1 3.663 1.732 -2.767
10 HE2 PHE 1 1HE PHE 1 2.088 4.780 -0.239
11 HZ PHE 1 HZ PHE 1 2.510 2.399 -0.697
12 H ASN 2 H ASN 2 1.592 4.257 -5.332
13 HA ASN 2 HA ASN 2 -0.715 6.037 -5.215
14 HB2 ASN 2 2HB ASN 2 -0.812 4.127 -6.764
15 HB3 ASN 2 1HB ASN 2 -0.577 3.018 -5.416
16 HD21 ASN 2 1HD2 ASN 2 -2.534 1.994 -5.908
17 HD22 ASN 2 2HD2 ASN 2 -4.056 2.713 -5.521
18 H TRP 3 H TRP 3 -0.775 6.860 -3.190
19 HA TRP 3 HA TRP 3 -0.178 5.491 -0.822
20 HB2 TRP 3 2HB TRP 3 -1.413 7.351 0.308
21 HB3 TRP 3 1HB TRP 3 -0.193 7.896 -0.837
22 HD1 TRP 3 HD TRP 3 -1.099 8.967 -3.167
23 HE1 TRP 3 1HE TRP 3 -3.324 10.136 -3.723
24 HE3 TRP 3 3HE TRP 3 -3.873 7.381 0.825
25 HZ2 TRP 3 2HZ TRP 3 -5.910 10.359 -2.615
26 HZ3 TRP 3 3HZ TRP 3 -6.213 8.119 1.003
27 HH2 TRP 3 HH TRP 3 -7.209 9.578 -0.682
28 H ARG 4 H ARG 4 -2.993 5.478 -2.789
29 HA ARG 4 HA ARG 4 -4.906 4.726 -0.884
30 HB2 ARG 4 2HB ARG 4 -4.702 4.576 -3.832
31 HB3 ARG 4 1HB ARG 4 -5.873 3.518 -3.063
32 HG2 ARG 4 2HG ARG 4 -5.749 6.519 -2.831
33 HG3 ARG 4 1HG ARG 4 -6.917 5.588 -3.768
34 HD2 ARG 4 2HD ARG 4 -6.614 5.713 -0.774
35 HD3 ARG 4 1HD ARG 4 -7.994 6.220 -1.746
36 HE ARG 4 HE ARG 4 -7.467 3.453 -2.102
37 HH11 ARG 4 1HH1 ARG 4 -8.861 5.735 0.148
38 HH12 ARG 4 2HH1 ARG 4 -9.903 4.569 0.892
39 HH21 ARG 4 1HH2 ARG 4 -8.837 1.897 -1.118
40 HH22 ARG 4 2HH2 ARG 4 -9.886 2.377 0.172
41 H CYS 5 H CYS 5 -2.393 3.004 -2.376
42 HA CYS 5 HA CYS 5 -3.319 0.368 -2.113
43 HB2 CYS 5 2HB CYS 5 -0.602 1.619 -2.207
44 HB3 CYS 5 1HB CYS 5 -0.759 -0.096 -1.843
45 H CYS 6 H CYS 6 -1.973 2.625 0.175
46 HA CYS 6 HA CYS 6 -1.398 0.680 2.195
47 HB2 CYS 6 2HB CYS 6 -1.921 3.591 2.748
48 HB3 CYS 6 1HB CYS 6 -0.824 2.484 3.574
49 H LEU 7 H LEU 7 -4.249 2.111 1.057
50 HA LEU 7 HA LEU 7 -5.695 1.510 3.537
51 HB2 LEU 7 2HB LEU 7 -6.506 3.022 1.052
52 HB3 LEU 7 1HB LEU 7 -7.620 2.628 2.349
53 HG LEU 7 HG LEU 7 -5.722 3.874 3.783
54 HD11 LEU 7 1HD1 LEU 7 -4.918 5.827 2.569
55 HD12 LEU 7 2HD1 LEU 7 -5.644 5.213 1.084
56 HD13 LEU 7 3HD1 LEU 7 -4.316 4.337 1.844
57 HD21 LEU 7 3HD2 LEU 7 -7.930 5.223 2.234
58 HD22 LEU 7 1HD2 LEU 7 -7.131 5.874 3.665
59 HD23 LEU 7 2HD2 LEU 7 -8.097 4.403 3.787
60 H ILE 8 H ILE 8 -4.639 -0.099 1.003
61 HA ILE 8 HA ILE 8 -6.993 -1.866 0.885
62 HB ILE 8 HB ILE 8 -5.074 -1.325 -1.396
63 HG12 ILE 8 2HG1 ILE 8 -8.005 -0.600 -1.219
64 HG13 ILE 8 1HG1 ILE 8 -6.704 0.534 -0.874
65 HG21 ILE 8 1HG2 ILE 8 -5.892 -3.612 -1.388
66 HG22 ILE 8 2HG2 ILE 8 -6.619 -2.708 -2.718
67 HG23 ILE 8 3HG2 ILE 8 -7.555 -3.038 -1.260
68 HD11 ILE 8 3HD1 ILE 8 -5.888 0.307 -3.152
69 HD12 ILE 8 1HD1 ILE 8 -7.576 0.816 -3.128
70 HD13 ILE 8 2HD1 ILE 8 -7.164 -0.858 -3.501
71 HA PRO 9 HA PRO 9 -3.914 -4.399 3.049
72 HB2 PRO 9 2HB PRO 9 -6.065 -6.337 2.291
73 HB3 PRO 9 1HB PRO 9 -5.194 -6.166 3.821
74 HG2 PRO 9 2HG PRO 9 -7.657 -5.202 3.558
75 HG3 PRO 9 1HG PRO 9 -6.424 -4.307 4.466
76 HD2 PRO 9 2HD PRO 9 -7.566 -3.757 1.780
77 HD3 PRO 9 1HD PRO 9 -6.922 -2.629 2.989
78 H ALA 10 H ALA 10 -5.444 -5.258 -0.029
79 HA ALA 10 HA ALA 10 -3.670 -7.351 -0.696
80 HB1 ALA 10 1HB ALA 10 -5.873 -7.084 -1.727
81 HB2 ALA 10 2HB ALA 10 -4.592 -7.182 -2.936
82 HB3 ALA 10 3HB ALA 10 -5.312 -5.621 -2.537
83 H CYS 11 H CYS 11 -3.587 -3.870 -1.347
84 HA CYS 11 HA CYS 11 -1.182 -4.191 -2.964
85 HB2 CYS 11 2HB CYS 11 -3.138 -2.547 -3.449
86 HB3 CYS 11 1HB CYS 11 -2.383 -1.538 -2.220
87 H ARG 12 H ARG 12 -2.167 -3.056 0.200
88 HA ARG 12 HA ARG 12 0.233 -1.731 0.884
89 HB2 ARG 12 2HB ARG 12 -2.022 -1.619 2.072
90 HB3 ARG 12 1HB ARG 12 -1.565 -3.119 2.855
91 HG2 ARG 12 2HG ARG 12 0.460 -2.014 3.727
92 HG3 ARG 12 1HG ARG 12 -0.102 -0.498 3.022
93 HD2 ARG 12 2HD ARG 12 -2.103 -0.584 4.409
94 HD3 ARG 12 1HD ARG 12 -1.572 -2.122 5.092
95 HE ARG 12 HE ARG 12 0.474 -0.699 5.800
96 HH11 ARG 12 1HH1 ARG 12 -2.840 0.421 5.670
97 HH12 ARG 12 2HH1 ARG 12 -2.647 1.541 6.980
98 HH21 ARG 12 1HH2 ARG 12 0.751 0.788 7.499
99 HH22 ARG 12 2HH2 ARG 12 -0.591 1.753 8.027
100 H ARG 13 H ARG 13 -0.724 -5.060 0.906
101 HA ARG 13 HA ARG 13 1.239 -6.096 2.622
102 HB2 ARG 13 2HB ARG 13 -0.417 -7.224 0.411
103 HB3 ARG 13 1HB ARG 13 0.936 -8.175 1.008
104 HG2 ARG 13 2HG ARG 13 0.014 -8.175 3.233
105 HG3 ARG 13 1HG ARG 13 -1.292 -7.102 2.723
106 HD2 ARG 13 2HD ARG 13 -2.125 -8.810 1.205
107 HD3 ARG 13 1HD ARG 13 -0.794 -9.876 1.652
108 HE ARG 13 HE ARG 13 -2.406 -9.027 3.878
109 HH11 ARG 13 1HH1 ARG 13 -2.047 -11.389 1.327
110 HH12 ARG 13 2HH1 ARG 13 -2.979 -12.604 2.136
111 HH21 ARG 13 1HH2 ARG 13 -3.639 -10.628 4.963
112 HH22 ARG 13 2HH2 ARG 13 -3.888 -12.169 4.213
113 H ASN 14 H ASN 14 1.337 -5.198 -0.750
114 HA ASN 14 HA ASN 14 4.033 -6.240 -1.083
115 HB2 ASN 14 2HB ASN 14 2.631 -6.562 -2.982
116 HB3 ASN 14 1HB ASN 14 2.071 -4.895 -2.943
117 HD21 ASN 14 1HD2 ASN 14 4.714 -7.013 -3.763
118 HD22 ASN 14 2HD2 ASN 14 5.560 -5.890 -4.765
119 H HIS 15 H HIS 15 2.402 -3.249 -0.446
120 HA HIS 15 HA HIS 15 4.929 -1.789 -0.830
121 HB2 HIS 15 2HB HIS 15 2.083 -0.772 -0.794
122 HB3 HIS 15 1HB HIS 15 3.502 0.270 -0.859
123 HD1 HIS 15 1HD HIS 15 5.124 -0.278 -3.035
124 HD2 HIS 15 2HD HIS 15 1.155 -1.485 -3.233
125 HE1 HIS 15 1HE HIS 15 4.656 -0.652 -5.475
126 HE2 HIS 15 2HE HIS 15 2.320 -1.589 -5.537
127 H LYS 16 H LYS 16 4.453 -3.401 1.442
128 HA LYS 16 HA LYS 16 3.619 -1.845 3.670
129 HB2 LYS 16 2HB LYS 16 4.613 -3.653 5.026
130 HB3 LYS 16 1HB LYS 16 3.561 -4.271 3.761
131 HG2 LYS 16 2HG LYS 16 5.442 -4.914 2.423
132 HG3 LYS 16 1HG LYS 16 6.559 -4.128 3.538
133 HD2 LYS 16 2HD LYS 16 6.571 -6.525 3.898
134 HD3 LYS 16 1HD LYS 16 5.882 -5.708 5.300
135 HE2 LYS 16 2HE LYS 16 3.657 -6.287 4.618
136 HE3 LYS 16 1HE LYS 16 4.244 -6.925 3.083
137 HZ1 LYS 16 3HZ LYS 16 3.802 -8.728 4.570
138 HZ2 LYS 16 1HZ LYS 16 4.765 -8.044 5.782
139 HZ3 LYS 16 2HZ LYS 16 5.476 -8.617 4.359
140 H LYS 17 H LYS 17 6.336 -1.640 1.763
141 HA LYS 17 HA LYS 17 8.199 -0.933 3.837
142 HB2 LYS 17 2HB LYS 17 8.331 -1.530 1.031
143 HB3 LYS 17 1HB LYS 17 9.151 -0.009 1.347
144 HG2 LYS 17 2HG LYS 17 9.713 -2.587 2.799
145 HG3 LYS 17 1HG LYS 17 10.648 -1.970 1.436
146 HD2 LYS 17 2HD LYS 17 11.289 -0.017 2.696
147 HD3 LYS 17 1HD LYS 17 10.233 -0.486 4.029
148 HE2 LYS 17 2HE LYS 17 12.519 -2.191 3.070
149 HE3 LYS 17 1HE LYS 17 12.697 -0.972 4.330
150 HZ1 LYS 17 3HZ LYS 17 10.932 -2.144 5.578
151 HZ2 LYS 17 1HZ LYS 17 12.321 -3.083 5.346
152 HZ3 LYS 17 2HZ LYS 17 10.944 -3.364 4.407
153 H PHE 18 H PHE 18 5.904 0.642 1.848
154 HA PHE 18 HA PHE 18 6.951 3.277 2.591
155 HB2 PHE 18 2HB PHE 18 4.944 2.385 0.522
156 HB3 PHE 18 1HB PHE 18 5.127 4.075 0.979
157 HD1 PHE 18 1HD PHE 18 7.216 5.269 0.490
158 HD2 PHE 18 2HD PHE 18 6.538 1.294 -0.869
159 HE1 PHE 18 1HE PHE 18 9.049 5.515 -1.134
160 HE2 PHE 18 2HE PHE 18 8.371 1.531 -2.493
161 HZ PHE 18 HZ PHE 18 9.629 3.645 -2.625
162 H CYS 19 H CYS 19 4.089 1.232 2.758
163 HA CYS 19 HA CYS 19 2.751 3.195 4.459
164 HB2 CYS 19 2HB CYS 19 1.520 0.561 3.758
165 HB3 CYS 19 1HB CYS 19 0.755 2.119 4.017
166 HN1 NH2 20 1H CYS 19 4.875 2.372 5.761
167 HN2 NH2 20 2H CYS 19 4.482 1.252 7.018
Start of MODEL 12
1 H1 PHE 1 1HT PHE 1 3.124 6.312 -7.843
2 H2 PHE 1 2HT PHE 1 4.668 6.019 -7.217
3 H3 PHE 1 3HT PHE 1 3.775 7.352 -6.680
4 HA PHE 1 HA PHE 1 3.020 4.521 -6.274
5 HB2 PHE 1 2HB PHE 1 4.984 5.135 -4.936
6 HB3 PHE 1 1HB PHE 1 4.157 6.572 -4.348
7 HD1 PHE 1 2HD PHE 1 3.754 2.865 -4.454
8 HD2 PHE 1 1HD PHE 1 3.098 6.481 -2.307
9 HE1 PHE 1 2HE PHE 1 2.871 1.574 -2.555
10 HE2 PHE 1 1HE PHE 1 2.217 5.195 -0.405
11 HZ PHE 1 HZ PHE 1 2.101 2.739 -0.528
12 H ASN 2 H ASN 2 1.100 4.240 -5.058
13 HA ASN 2 HA ASN 2 -0.608 6.636 -4.925
14 HB2 ASN 2 2HB ASN 2 -1.210 4.856 -6.667
15 HB3 ASN 2 1HB ASN 2 -1.619 3.815 -5.307
16 HD21 ASN 2 1HD2 ASN 2 -3.342 4.802 -7.394
17 HD22 ASN 2 2HD2 ASN 2 -4.589 5.713 -6.620
18 H TRP 3 H TRP 3 -1.002 7.202 -2.909
19 HA TRP 3 HA TRP 3 -0.360 5.675 -0.656
20 HB2 TRP 3 2HB TRP 3 -1.640 7.423 0.610
21 HB3 TRP 3 1HB TRP 3 -0.409 8.061 -0.473
22 HD1 TRP 3 HD TRP 3 -1.272 9.348 -2.685
23 HE1 TRP 3 1HE TRP 3 -3.504 10.524 -3.201
24 HE3 TRP 3 3HE TRP 3 -4.139 7.323 1.035
25 HZ2 TRP 3 2HZ TRP 3 -6.130 10.587 -2.166
26 HZ3 TRP 3 3HZ TRP 3 -6.498 7.995 1.204
27 HH2 TRP 3 HH TRP 3 -7.472 9.594 -0.363
28 H ARG 4 H ARG 4 -3.168 5.673 -2.613
29 HA ARG 4 HA ARG 4 -5.072 4.805 -0.749
30 HB2 ARG 4 2HB ARG 4 -4.832 4.753 -3.698
31 HB3 ARG 4 1HB ARG 4 -5.985 3.641 -2.977
32 HG2 ARG 4 2HG ARG 4 -5.946 6.613 -2.492
33 HG3 ARG 4 1HG ARG 4 -6.979 5.799 -3.669
34 HD2 ARG 4 2HD ARG 4 -8.033 4.519 -1.892
35 HD3 ARG 4 1HD ARG 4 -6.965 5.260 -0.702
36 HE ARG 4 HE ARG 4 -8.228 7.359 -1.932
37 HH11 ARG 4 1HH1 ARG 4 -9.256 4.510 -0.183
38 HH12 ARG 4 2HH1 ARG 4 -10.687 5.250 0.451
39 HH21 ARG 4 1HH2 ARG 4 -10.122 8.351 -1.097
40 HH22 ARG 4 2HH2 ARG 4 -11.180 7.444 -0.070
41 H CYS 5 H CYS 5 -2.511 3.201 -2.291
42 HA CYS 5 HA CYS 5 -3.358 0.533 -2.097
43 HB2 CYS 5 2HB CYS 5 -0.693 1.881 -2.194
44 HB3 CYS 5 1HB CYS 5 -0.773 0.157 -1.849
45 H CYS 6 H CYS 6 -2.080 2.767 0.249
46 HA CYS 6 HA CYS 6 -1.407 0.789 2.209
47 HB2 CYS 6 2HB CYS 6 -2.035 3.670 2.824
48 HB3 CYS 6 1HB CYS 6 -0.918 2.581 3.649
49 H LEU 7 H LEU 7 -4.325 2.102 1.126
50 HA LEU 7 HA LEU 7 -5.729 1.412 3.602
51 HB2 LEU 7 2HB LEU 7 -6.774 2.768 1.112
52 HB3 LEU 7 1HB LEU 7 -7.665 2.529 2.603
53 HG LEU 7 HG LEU 7 -5.189 4.238 2.335
54 HD11 LEU 7 1HD1 LEU 7 -7.058 5.197 1.112
55 HD12 LEU 7 2HD1 LEU 7 -6.720 6.131 2.569
56 HD13 LEU 7 3HD1 LEU 7 -8.093 5.025 2.530
57 HD21 LEU 7 3HD2 LEU 7 -5.779 5.027 4.569
58 HD22 LEU 7 1HD2 LEU 7 -5.483 3.288 4.568
59 HD23 LEU 7 2HD2 LEU 7 -7.137 3.902 4.615
60 H ILE 8 H ILE 8 -4.662 -0.036 0.926
61 HA ILE 8 HA ILE 8 -6.936 -1.907 0.789
62 HB ILE 8 HB ILE 8 -4.968 -1.289 -1.428
63 HG12 ILE 8 2HG1 ILE 8 -7.908 -0.596 -1.307
64 HG13 ILE 8 1HG1 ILE 8 -6.626 0.543 -0.912
65 HG21 ILE 8 1HG2 ILE 8 -6.446 -2.662 -2.820
66 HG22 ILE 8 2HG2 ILE 8 -7.435 -3.025 -1.405
67 HG23 ILE 8 3HG2 ILE 8 -5.764 -3.586 -1.480
68 HD11 ILE 8 3HD1 ILE 8 -5.751 0.349 -3.177
69 HD12 ILE 8 1HD1 ILE 8 -7.437 0.868 -3.177
70 HD13 ILE 8 2HD1 ILE 8 -7.028 -0.802 -3.573
71 HA PRO 9 HA PRO 9 -3.838 -4.439 2.917
72 HB2 PRO 9 2HB PRO 9 -5.953 -6.418 2.179
73 HB3 PRO 9 1HB PRO 9 -5.104 -6.196 3.714
74 HG2 PRO 9 2HG PRO 9 -7.588 -5.307 3.419
75 HG3 PRO 9 1HG PRO 9 -6.386 -4.354 4.311
76 HD2 PRO 9 2HD PRO 9 -7.495 -3.928 1.578
77 HD3 PRO 9 1HD PRO 9 -6.969 -2.737 2.785
78 H ALA 10 H ALA 10 -5.327 -5.143 -0.199
79 HA ALA 10 HA ALA 10 -3.556 -7.252 -0.906
80 HB1 ALA 10 1HB ALA 10 -5.779 -7.005 -1.904
81 HB2 ALA 10 2HB ALA 10 -4.512 -7.057 -3.130
82 HB3 ALA 10 3HB ALA 10 -5.253 -5.518 -2.693
83 H CYS 11 H CYS 11 -3.521 -3.751 -1.446
84 HA CYS 11 HA CYS 11 -1.153 -3.996 -3.129
85 HB2 CYS 11 2HB CYS 11 -3.100 -2.334 -3.521
86 HB3 CYS 11 1HB CYS 11 -2.356 -1.387 -2.237
87 H ARG 12 H ARG 12 -2.083 -2.929 0.081
88 HA ARG 12 HA ARG 12 0.403 -1.745 0.772
89 HB2 ARG 12 2HB ARG 12 -1.887 -1.526 1.934
90 HB3 ARG 12 1HB ARG 12 -1.465 -3.016 2.752
91 HG2 ARG 12 2HG ARG 12 0.602 -1.921 3.581
92 HG3 ARG 12 1HG ARG 12 0.032 -0.411 2.870
93 HD2 ARG 12 2HD ARG 12 -1.965 -0.502 4.278
94 HD3 ARG 12 1HD ARG 12 -1.401 -2.016 4.984
95 HE ARG 12 HE ARG 12 0.639 -0.482 5.595
96 HH11 ARG 12 1HH1 ARG 12 -2.757 0.367 5.668
97 HH12 ARG 12 2HH1 ARG 12 -2.589 1.451 7.013
98 HH21 ARG 12 1HH2 ARG 12 0.879 0.970 7.338
99 HH22 ARG 12 2HH2 ARG 12 -0.512 1.796 7.964
100 H ARG 13 H ARG 13 -0.740 -4.967 0.596
101 HA ARG 13 HA ARG 13 0.896 -6.324 2.380
102 HB2 ARG 13 2HB ARG 13 -0.990 -7.125 0.699
103 HB3 ARG 13 1HB ARG 13 0.393 -7.508 -0.315
104 HG2 ARG 13 2HG ARG 13 -0.184 -9.478 0.867
105 HG3 ARG 13 1HG ARG 13 1.302 -8.857 1.589
106 HD2 ARG 13 2HD ARG 13 0.090 -7.935 3.441
107 HD3 ARG 13 1HD ARG 13 -1.454 -8.317 2.682
108 HE ARG 13 HE ARG 13 0.080 -10.668 3.021
109 HH11 ARG 13 1HH1 ARG 13 -1.799 -8.350 4.839
110 HH12 ARG 13 2HH1 ARG 13 -2.236 -9.474 6.081
111 HH21 ARG 13 1HH2 ARG 13 -0.494 -12.170 4.657
112 HH22 ARG 13 2HH2 ARG 13 -1.491 -11.654 5.977
113 H ASN 14 H ASN 14 1.554 -5.326 -0.946
114 HA ASN 14 HA ASN 14 4.285 -6.323 -0.792
115 HB2 ASN 14 2HB ASN 14 3.132 -6.727 -2.870
116 HB3 ASN 14 1HB ASN 14 2.699 -5.027 -3.018
117 HD21 ASN 14 1HD2 ASN 14 5.283 -7.355 -3.252
118 HD22 ASN 14 2HD2 ASN 14 6.364 -6.354 -4.150
119 H HIS 15 H HIS 15 2.541 -3.411 -0.349
120 HA HIS 15 HA HIS 15 5.006 -1.822 -0.579
121 HB2 HIS 15 2HB HIS 15 2.124 -0.904 -0.492
122 HB3 HIS 15 1HB HIS 15 3.524 0.156 -0.627
123 HD1 HIS 15 1HD HIS 15 5.019 -1.711 -2.761
124 HD2 HIS 15 2HD HIS 15 1.110 -0.321 -2.998
125 HE1 HIS 15 1HE HIS 15 4.438 -1.751 -5.203
126 HE2 HIS 15 2HE HIS 15 2.003 -1.117 -5.289
127 H LYS 16 H LYS 16 4.680 -3.519 1.605
128 HA LYS 16 HA LYS 16 3.630 -2.222 3.892
129 HB2 LYS 16 2HB LYS 16 5.456 -4.547 3.428
130 HB3 LYS 16 1HB LYS 16 5.296 -3.894 5.051
131 HG2 LYS 16 2HG LYS 16 2.947 -4.353 5.072
132 HG3 LYS 16 1HG LYS 16 2.979 -4.827 3.372
133 HD2 LYS 16 2HD LYS 16 2.933 -6.781 4.847
134 HD3 LYS 16 1HD LYS 16 4.428 -6.714 3.914
135 HE2 LYS 16 2HE LYS 16 5.469 -5.580 5.929
136 HE3 LYS 16 1HE LYS 16 4.015 -6.035 6.817
137 HZ1 LYS 16 3HZ LYS 16 5.825 -7.936 5.428
138 HZ2 LYS 16 1HZ LYS 16 4.474 -8.344 6.360
139 HZ3 LYS 16 2HZ LYS 16 5.824 -7.639 7.093
140 H LYS 17 H LYS 17 6.651 -1.972 2.217
141 HA LYS 17 HA LYS 17 8.042 -0.785 4.430
142 HB2 LYS 17 2HB LYS 17 8.710 -1.667 1.737
143 HB3 LYS 17 1HB LYS 17 9.489 -0.147 2.157
144 HG2 LYS 17 2HG LYS 17 9.657 -2.716 3.726
145 HG3 LYS 17 1HG LYS 17 10.920 -2.035 2.697
146 HD2 LYS 17 2HD LYS 17 11.093 -0.094 4.141
147 HD3 LYS 17 1HD LYS 17 9.757 -0.681 5.133
148 HE2 LYS 17 2HE LYS 17 11.108 -2.668 5.712
149 HE3 LYS 17 1HE LYS 17 12.450 -1.998 4.784
150 HZ1 LYS 17 3HZ LYS 17 12.706 -1.519 7.125
151 HZ2 LYS 17 1HZ LYS 17 11.196 -0.757 7.175
152 HZ3 LYS 17 2HZ LYS 17 12.455 -0.080 6.272
153 H PHE 18 H PHE 18 6.090 0.310 1.833
154 HA PHE 18 HA PHE 18 6.969 3.055 2.041
155 HB2 PHE 18 2HB PHE 18 4.670 1.802 0.520
156 HB3 PHE 18 1HB PHE 18 5.125 3.499 0.423
157 HD1 PHE 18 2HD PHE 18 7.352 4.107 -0.528
158 HD2 PHE 18 1HD PHE 18 5.773 0.163 -0.747
159 HE1 PHE 18 2HE PHE 18 8.932 3.580 -2.337
160 HE2 PHE 18 1HE PHE 18 7.350 -0.374 -2.558
161 HZ PHE 18 HZ PHE 18 8.933 1.338 -3.354
162 H CYS 19 H CYS 19 4.052 1.185 2.774
163 HA CYS 19 HA CYS 19 2.970 3.457 4.255
164 HB2 CYS 19 2HB CYS 19 1.550 0.835 3.898
165 HB3 CYS 19 1HB CYS 19 0.873 2.439 4.128
166 HN1 NH2 20 1H CYS 19 5.007 2.831 5.645
167 HN2 NH2 20 2H CYS 19 4.646 1.855 7.025
Start of MODEL 13
1 H1 PHE 1 1HT PHE 1 5.315 7.108 -4.798
2 H2 PHE 1 2HT PHE 1 4.086 7.652 -3.771
3 H3 PHE 1 3HT PHE 1 3.955 7.887 -5.438
4 HA PHE 1 HA PHE 1 3.787 5.544 -5.822
5 HB2 PHE 1 2HB PHE 1 3.646 3.975 -3.945
6 HB3 PHE 1 1HB PHE 1 5.190 4.815 -3.926
7 HD1 PHE 1 1HD PHE 1 5.574 6.632 -2.258
8 HD2 PHE 1 2HD PHE 1 2.140 4.121 -2.134
9 HE1 PHE 1 1HE PHE 1 5.189 7.279 0.084
10 HE2 PHE 1 2HE PHE 1 1.749 4.766 0.207
11 HZ PHE 1 HZ PHE 1 3.273 6.347 1.319
12 H ASN 2 H ASN 2 1.752 4.186 -5.005
13 HA ASN 2 HA ASN 2 -0.433 6.107 -4.972
14 HB2 ASN 2 2HB ASN 2 -0.282 4.059 -6.533
15 HB3 ASN 2 1HB ASN 2 -0.718 3.108 -5.117
16 HD21 ASN 2 1HD2 ASN 2 -2.200 3.393 -7.547
17 HD22 ASN 2 2HD2 ASN 2 -3.721 4.095 -7.135
18 H TRP 3 H TRP 3 -0.727 6.849 -2.952
19 HA TRP 3 HA TRP 3 -0.366 5.423 -0.578
20 HB2 TRP 3 2HB TRP 3 -1.764 7.263 0.450
21 HB3 TRP 3 1HB TRP 3 -0.361 7.797 -0.467
22 HD1 TRP 3 HD TRP 3 -0.827 9.060 -2.798
23 HE1 TRP 3 1HE TRP 3 -2.905 10.287 -3.688
24 HE3 TRP 3 3HE TRP 3 -4.314 7.234 0.468
25 HZ2 TRP 3 2HZ TRP 3 -5.656 10.461 -3.087
26 HZ3 TRP 3 3HZ TRP 3 -6.646 7.984 0.243
27 HH2 TRP 3 HH TRP 3 -7.302 9.565 -1.498
28 H ARG 4 H ARG 4 -2.993 5.428 -2.791
29 HA ARG 4 HA ARG 4 -5.055 4.650 -1.047
30 HB2 ARG 4 2HB ARG 4 -4.624 4.545 -3.978
31 HB3 ARG 4 1HB ARG 4 -5.865 3.496 -3.313
32 HG2 ARG 4 2HG ARG 4 -6.848 5.541 -2.219
33 HG3 ARG 4 1HG ARG 4 -5.718 6.495 -3.183
34 HD2 ARG 4 2HD ARG 4 -7.890 6.371 -4.274
35 HD3 ARG 4 1HD ARG 4 -6.662 5.543 -5.229
36 HE ARG 4 HE ARG 4 -7.971 3.713 -3.514
37 HH11 ARG 4 1HH1 ARG 4 -8.482 5.557 -6.440
38 HH12 ARG 4 2HH1 ARG 4 -9.624 4.439 -7.106
39 HH21 ARG 4 1HH2 ARG 4 -9.480 2.223 -4.382
40 HH22 ARG 4 2HH2 ARG 4 -10.193 2.532 -5.931
41 H CYS 5 H CYS 5 -2.458 2.967 -2.459
42 HA CYS 5 HA CYS 5 -3.400 0.323 -2.241
43 HB2 CYS 5 2HB CYS 5 -0.697 1.593 -2.346
44 HB3 CYS 5 1HB CYS 5 -0.821 -0.114 -1.929
45 H CYS 6 H CYS 6 -2.093 2.585 0.052
46 HA CYS 6 HA CYS 6 -1.518 0.640 2.083
47 HB2 CYS 6 2HB CYS 6 -2.057 3.534 2.676
48 HB3 CYS 6 1HB CYS 6 -0.894 2.438 3.420
49 H LEU 7 H LEU 7 -4.348 2.043 0.890
50 HA LEU 7 HA LEU 7 -5.848 1.596 3.351
51 HB2 LEU 7 2HB LEU 7 -6.844 2.583 0.678
52 HB3 LEU 7 1HB LEU 7 -7.723 2.614 2.193
53 HG LEU 7 HG LEU 7 -5.207 4.194 1.655
54 HD11 LEU 7 1HD1 LEU 7 -8.088 5.083 1.646
55 HD12 LEU 7 2HD1 LEU 7 -7.036 4.957 0.235
56 HD13 LEU 7 3HD1 LEU 7 -6.680 6.135 1.499
57 HD21 LEU 7 3HD2 LEU 7 -7.208 4.325 3.910
58 HD22 LEU 7 1HD2 LEU 7 -5.815 5.385 3.697
59 HD23 LEU 7 2HD2 LEU 7 -5.574 3.668 4.014
60 H ILE 8 H ILE 8 -4.819 -0.063 0.701
61 HA ILE 8 HA ILE 8 -7.053 -1.988 0.837
62 HB ILE 8 HB ILE 8 -5.140 -1.593 -1.477
63 HG12 ILE 8 2HG1 ILE 8 -8.059 -0.809 -1.358
64 HG13 ILE 8 1HG1 ILE 8 -6.743 0.326 -1.071
65 HG21 ILE 8 1HG2 ILE 8 -6.709 -3.039 -2.694
66 HG22 ILE 8 2HG2 ILE 8 -7.655 -3.242 -1.220
67 HG23 ILE 8 3HG2 ILE 8 -6.005 -3.859 -1.299
68 HD11 ILE 8 3HD1 ILE 8 -7.212 -1.216 -3.613
69 HD12 ILE 8 1HD1 ILE 8 -5.910 -0.063 -3.325
70 HD13 ILE 8 2HD1 ILE 8 -7.584 0.486 -3.345
71 HA PRO 9 HA PRO 9 -3.917 -4.342 3.099
72 HB2 PRO 9 2HB PRO 9 -5.981 -6.401 2.435
73 HB3 PRO 9 1HB PRO 9 -5.143 -6.099 3.963
74 HG2 PRO 9 2HG PRO 9 -7.643 -5.272 3.616
75 HG3 PRO 9 1HG PRO 9 -6.468 -4.264 4.480
76 HD2 PRO 9 2HD PRO 9 -7.578 -3.952 1.737
77 HD3 PRO 9 1HD PRO 9 -7.052 -2.712 2.891
78 H ALA 10 H ALA 10 -5.396 -5.329 0.039
79 HA ALA 10 HA ALA 10 -3.560 -7.398 -0.554
80 HB1 ALA 10 1HB ALA 10 -4.472 -7.318 -2.804
81 HB2 ALA 10 2HB ALA 10 -5.244 -5.772 -2.454
82 HB3 ALA 10 3HB ALA 10 -5.764 -7.229 -1.608
83 H CYS 11 H CYS 11 -3.583 -3.934 -1.294
84 HA CYS 11 HA CYS 11 -1.156 -4.218 -2.885
85 HB2 CYS 11 2HB CYS 11 -3.176 -2.623 -3.377
86 HB3 CYS 11 1HB CYS 11 -2.388 -1.568 -2.209
87 H ARG 12 H ARG 12 -2.206 -3.074 0.242
88 HA ARG 12 HA ARG 12 0.140 -1.691 0.991
89 HB2 ARG 12 2HB ARG 12 -2.072 -1.565 2.151
90 HB3 ARG 12 1HB ARG 12 -1.780 -3.163 2.799
91 HG2 ARG 12 2HG ARG 12 0.419 -2.093 3.705
92 HG3 ARG 12 1HG ARG 12 -0.466 -0.581 3.484
93 HD2 ARG 12 2HD ARG 12 -1.436 -2.948 5.085
94 HD3 ARG 12 1HD ARG 12 -0.696 -1.499 5.765
95 HE ARG 12 HE ARG 12 -2.705 -0.404 4.447
96 HH11 ARG 12 1HH1 ARG 12 -2.700 -3.280 6.443
97 HH12 ARG 12 2HH1 ARG 12 -4.353 -3.102 6.926
98 HH21 ARG 12 1HH2 ARG 12 -4.869 -0.160 5.069
99 HH22 ARG 12 2HH2 ARG 12 -5.599 -1.314 6.140
100 H ARG 13 H ARG 13 -0.794 -5.036 1.051
101 HA ARG 13 HA ARG 13 1.194 -6.066 2.733
102 HB2 ARG 13 2HB ARG 13 -0.790 -7.333 1.984
103 HB3 ARG 13 1HB ARG 13 -0.130 -7.391 0.357
104 HG2 ARG 13 2HG ARG 13 1.808 -8.662 1.250
105 HG3 ARG 13 1HG ARG 13 1.002 -8.700 2.820
106 HD2 ARG 13 2HD ARG 13 -0.888 -9.881 1.839
107 HD3 ARG 13 1HD ARG 13 -0.129 -9.804 0.249
108 HE ARG 13 HE ARG 13 1.136 -11.239 2.489
109 HH11 ARG 13 1HH1 ARG 13 -0.087 -11.157 -0.785
110 HH12 ARG 13 2HH1 ARG 13 0.521 -12.725 -1.196
111 HH21 ARG 13 1HH2 ARG 13 1.944 -13.323 1.959
112 HH22 ARG 13 2HH2 ARG 13 1.681 -13.962 0.370
113 H ASN 14 H ASN 14 1.247 -5.203 -0.647
114 HA ASN 14 HA ASN 14 3.916 -6.304 -1.020
115 HB2 ASN 14 2HB ASN 14 2.469 -6.654 -2.876
116 HB3 ASN 14 1HB ASN 14 1.931 -4.979 -2.868
117 HD21 ASN 14 1HD2 ASN 14 4.533 -7.149 -3.692
118 HD22 ASN 14 2HD2 ASN 14 5.364 -6.064 -4.746
119 H HIS 15 H HIS 15 2.349 -3.269 -0.420
120 HA HIS 15 HA HIS 15 4.903 -1.868 -0.878
121 HB2 HIS 15 2HB HIS 15 2.082 -0.779 -0.877
122 HB3 HIS 15 1HB HIS 15 3.530 0.216 -0.999
123 HD1 HIS 15 1HD HIS 15 5.137 -0.584 -3.150
124 HD2 HIS 15 2HD HIS 15 1.078 -1.452 -3.285
125 HE1 HIS 15 1HE HIS 15 4.620 -1.002 -5.572
126 HE2 HIS 15 2HE HIS 15 2.214 -1.744 -5.588
127 H LYS 16 H LYS 16 4.405 -3.372 1.443
128 HA LYS 16 HA LYS 16 3.548 -1.785 3.622
129 HB2 LYS 16 2HB LYS 16 4.760 -3.525 4.991
130 HB3 LYS 16 1HB LYS 16 3.546 -4.152 3.882
131 HG2 LYS 16 2HG LYS 16 5.323 -4.717 2.282
132 HG3 LYS 16 1HG LYS 16 6.524 -4.137 3.436
133 HD2 LYS 16 2HD LYS 16 5.821 -5.831 5.039
134 HD3 LYS 16 1HD LYS 16 4.579 -6.392 3.918
135 HE2 LYS 16 2HE LYS 16 6.302 -7.010 2.305
136 HE3 LYS 16 1HE LYS 16 7.551 -6.422 3.402
137 HZ1 LYS 16 3HZ LYS 16 7.296 -8.828 3.514
138 HZ2 LYS 16 1HZ LYS 16 5.678 -8.652 3.976
139 HZ3 LYS 16 2HZ LYS 16 6.912 -8.106 4.995
140 H LYS 17 H LYS 17 6.396 -1.752 1.781
141 HA LYS 17 HA LYS 17 8.077 -0.696 3.877
142 HB2 LYS 17 2HB LYS 17 8.467 -1.797 1.260
143 HB3 LYS 17 1HB LYS 17 9.246 -0.224 1.348
144 HG2 LYS 17 2HG LYS 17 9.712 -2.557 3.194
145 HG3 LYS 17 1HG LYS 17 10.813 -1.955 1.952
146 HD2 LYS 17 2HD LYS 17 11.094 0.123 3.138
147 HD3 LYS 17 1HD LYS 17 9.867 -0.340 4.318
148 HE2 LYS 17 2HE LYS 17 11.304 -2.242 4.994
149 HE3 LYS 17 1HE LYS 17 12.545 -1.657 3.886
150 HZ1 LYS 17 3HZ LYS 17 11.456 -0.163 6.211
151 HZ2 LYS 17 1HZ LYS 17 12.643 0.405 5.147
152 HZ3 LYS 17 2HZ LYS 17 12.965 -0.922 6.146
153 H PHE 18 H PHE 18 5.954 0.475 1.472
154 HA PHE 18 HA PHE 18 7.020 3.184 1.590
155 HB2 PHE 18 2HB PHE 18 4.687 2.022 0.046
156 HB3 PHE 18 1HB PHE 18 5.221 3.696 -0.055
157 HD1 PHE 18 1HD PHE 18 7.396 4.240 -1.077
158 HD2 PHE 18 2HD PHE 18 5.829 0.283 -1.099
159 HE1 PHE 18 1HE PHE 18 8.971 3.629 -2.867
160 HE2 PHE 18 2HE PHE 18 7.402 -0.335 -2.886
161 HZ PHE 18 HZ PHE 18 8.975 1.339 -3.772
162 H CYS 19 H CYS 19 4.120 1.363 2.448
163 HA CYS 19 HA CYS 19 3.000 3.697 3.788
164 HB2 CYS 19 2HB CYS 19 1.727 0.970 3.722
165 HB3 CYS 19 1HB CYS 19 0.958 2.543 3.874
166 HN1 NH2 20 1H CYS 19 5.007 3.456 5.211
167 HN2 NH2 20 2H CYS 19 4.809 2.522 6.651
Start of MODEL 14
1 H1 PHE 1 1HT PHE 1 2.749 7.517 -7.587
2 H2 PHE 1 2HT PHE 1 4.307 7.647 -6.941
3 H3 PHE 1 3HT PHE 1 3.025 8.502 -6.242
4 HA PHE 1 HA PHE 1 3.247 5.554 -6.336
5 HB2 PHE 1 2HB PHE 1 4.921 6.466 -4.829
6 HB3 PHE 1 1HB PHE 1 3.731 7.529 -4.089
7 HD1 PHE 1 2HD PHE 1 4.427 3.913 -4.656
8 HD2 PHE 1 1HD PHE 1 2.676 6.871 -2.146
9 HE1 PHE 1 2HE PHE 1 3.935 2.189 -2.971
10 HE2 PHE 1 1HE PHE 1 2.184 5.153 -0.457
11 HZ PHE 1 HZ PHE 1 2.813 2.808 -0.868
12 H ASN 2 H ASN 2 1.460 4.468 -5.620
13 HA ASN 2 HA ASN 2 -0.954 6.071 -5.280
14 HB2 ASN 2 2HB ASN 2 -1.000 4.228 -6.925
15 HB3 ASN 2 1HB ASN 2 -0.645 3.079 -5.637
16 HD21 ASN 2 1HD2 ASN 2 -2.571 1.968 -6.091
17 HD22 ASN 2 2HD2 ASN 2 -4.108 2.589 -5.604
18 H TRP 3 H TRP 3 -0.740 6.802 -3.185
19 HA TRP 3 HA TRP 3 -0.027 5.242 -0.968
20 HB2 TRP 3 2HB TRP 3 -1.074 7.058 0.383
21 HB3 TRP 3 1HB TRP 3 0.055 7.649 -0.829
22 HD1 TRP 3 HD TRP 3 -1.031 8.898 -2.995
23 HE1 TRP 3 1HE TRP 3 -3.245 10.185 -3.246
24 HE3 TRP 3 3HE TRP 3 -3.463 7.150 1.151
25 HZ2 TRP 3 2HZ TRP 3 -5.696 10.430 -1.867
26 HZ3 TRP 3 3HZ TRP 3 -5.737 7.964 1.615
27 HH2 TRP 3 HH TRP 3 -6.830 9.570 0.135
28 H ARG 4 H ARG 4 -2.957 5.479 -2.727
29 HA ARG 4 HA ARG 4 -4.778 4.669 -0.758
30 HB2 ARG 4 2HB ARG 4 -4.765 4.754 -3.713
31 HB3 ARG 4 1HB ARG 4 -5.934 3.682 -2.962
32 HG2 ARG 4 2HG ARG 4 -5.650 6.622 -2.367
33 HG3 ARG 4 1HG ARG 4 -6.852 5.914 -3.450
34 HD2 ARG 4 2HD ARG 4 -7.811 4.658 -1.612
35 HD3 ARG 4 1HD ARG 4 -6.565 5.257 -0.520
36 HE ARG 4 HE ARG 4 -7.864 7.467 -1.611
37 HH11 ARG 4 1HH1 ARG 4 -8.608 4.760 0.475
38 HH12 ARG 4 2HH1 ARG 4 -9.828 5.608 1.365
39 HH21 ARG 4 1HH2 ARG 4 -9.476 8.602 -0.437
40 HH22 ARG 4 2HH2 ARG 4 -10.323 7.801 0.844
41 H CYS 5 H CYS 5 -2.440 2.955 -2.519
42 HA CYS 5 HA CYS 5 -3.449 0.345 -2.378
43 HB2 CYS 5 2HB CYS 5 -0.743 1.552 -2.597
44 HB3 CYS 5 1HB CYS 5 -0.832 -0.136 -2.110
45 H CYS 6 H CYS 6 -1.877 2.388 -0.026
46 HA CYS 6 HA CYS 6 -1.396 0.277 1.864
47 HB2 CYS 6 2HB CYS 6 -1.463 3.258 2.369
48 HB3 CYS 6 1HB CYS 6 -0.674 2.028 3.356
49 H LEU 7 H LEU 7 -4.147 1.898 0.883
50 HA LEU 7 HA LEU 7 -5.513 1.535 3.441
51 HB2 LEU 7 2HB LEU 7 -6.215 2.956 0.890
52 HB3 LEU 7 1HB LEU 7 -7.476 2.509 2.020
53 HG LEU 7 HG LEU 7 -6.970 4.755 2.497
54 HD11 LEU 7 1HD1 LEU 7 -6.029 4.703 4.753
55 HD12 LEU 7 2HD1 LEU 7 -5.445 3.063 4.470
56 HD13 LEU 7 3HD1 LEU 7 -7.178 3.391 4.494
57 HD21 LEU 7 3HD2 LEU 7 -4.707 5.596 2.883
58 HD22 LEU 7 1HD2 LEU 7 -4.879 4.922 1.262
59 HD23 LEU 7 2HD2 LEU 7 -4.051 4.000 2.517
60 H ILE 8 H ILE 8 -4.745 -0.124 0.729
61 HA ILE 8 HA ILE 8 -7.127 -1.856 0.863
62 HB ILE 8 HB ILE 8 -5.144 -1.630 -1.411
63 HG12 ILE 8 2HG1 ILE 8 -7.987 -0.605 -1.337
64 HG13 ILE 8 1HG1 ILE 8 -6.582 0.414 -1.040
65 HG21 ILE 8 1HG2 ILE 8 -7.784 -3.074 -1.205
66 HG22 ILE 8 2HG2 ILE 8 -6.186 -3.818 -1.265
67 HG23 ILE 8 3HG2 ILE 8 -6.803 -2.938 -2.664
68 HD11 ILE 8 3HD1 ILE 8 -7.385 0.632 -3.325
69 HD12 ILE 8 1HD1 ILE 8 -7.152 -1.096 -3.580
70 HD13 ILE 8 2HD1 ILE 8 -5.761 -0.055 -3.283
71 HA PRO 9 HA PRO 9 -4.318 -4.570 3.104
72 HB2 PRO 9 2HB PRO 9 -6.499 -6.462 2.353
73 HB3 PRO 9 1HB PRO 9 -5.724 -6.200 3.919
74 HG2 PRO 9 2HG PRO 9 -8.144 -5.217 3.441
75 HG3 PRO 9 1HG PRO 9 -6.948 -4.273 4.351
76 HD2 PRO 9 2HD PRO 9 -7.862 -3.961 1.528
77 HD3 PRO 9 1HD PRO 9 -7.396 -2.720 2.709
78 H ALA 10 H ALA 10 -5.558 -5.091 -0.120
79 HA ALA 10 HA ALA 10 -3.884 -7.386 -0.623
80 HB1 ALA 10 1HB ALA 10 -4.788 -7.312 -2.875
81 HB2 ALA 10 2HB ALA 10 -5.526 -5.745 -2.545
82 HB3 ALA 10 3HB ALA 10 -6.081 -7.179 -1.682
83 H CYS 11 H CYS 11 -3.742 -3.915 -1.261
84 HA CYS 11 HA CYS 11 -1.346 -4.309 -2.903
85 HB2 CYS 11 2HB CYS 11 -3.317 -2.681 -3.464
86 HB3 CYS 11 1HB CYS 11 -2.526 -1.613 -2.311
87 H ARG 12 H ARG 12 -2.337 -3.265 0.236
88 HA ARG 12 HA ARG 12 -0.080 -1.751 0.970
89 HB2 ARG 12 2HB ARG 12 -2.237 -1.855 2.215
90 HB3 ARG 12 1HB ARG 12 -1.799 -3.453 2.772
91 HG2 ARG 12 2HG ARG 12 0.015 -2.629 4.043
92 HG3 ARG 12 1HG ARG 12 -0.091 -1.039 3.288
93 HD2 ARG 12 2HD ARG 12 -1.011 -1.038 5.558
94 HD3 ARG 12 1HD ARG 12 -2.235 -0.649 4.351
95 HE ARG 12 HE ARG 12 -1.992 -3.348 5.509
96 HH11 ARG 12 1HH1 ARG 12 -3.888 -0.537 4.642
97 HH12 ARG 12 2HH1 ARG 12 -5.397 -1.240 5.136
98 HH21 ARG 12 1HH2 ARG 12 -3.983 -4.285 6.169
99 HH22 ARG 12 2HH2 ARG 12 -5.448 -3.376 6.010
100 H ARG 13 H ARG 13 -0.678 -5.154 0.818
101 HA ARG 13 HA ARG 13 1.371 -6.130 2.443
102 HB2 ARG 13 2HB ARG 13 0.093 -7.264 -0.040
103 HB3 ARG 13 1HB ARG 13 1.297 -8.147 0.886
104 HG2 ARG 13 2HG ARG 13 -0.134 -8.153 2.824
105 HG3 ARG 13 1HG ARG 13 -1.318 -7.144 1.988
106 HD2 ARG 13 2HD ARG 13 -1.673 -8.910 0.342
107 HD3 ARG 13 1HD ARG 13 -0.467 -9.913 1.144
108 HE ARG 13 HE ARG 13 -2.444 -9.202 3.005
109 HH11 ARG 13 1HH1 ARG 13 -2.038 -11.175 0.150
110 HH12 ARG 13 2HH1 ARG 13 -3.252 -12.324 0.604
111 HH21 ARG 13 1HH2 ARG 13 -4.055 -10.720 3.623
112 HH22 ARG 13 2HH2 ARG 13 -4.404 -12.063 2.588
113 H ASN 14 H ASN 14 1.454 -4.974 -0.865
114 HA ASN 14 HA ASN 14 4.224 -5.784 -1.212
115 HB2 ASN 14 2HB ASN 14 2.834 -6.083 -3.131
116 HB3 ASN 14 1HB ASN 14 2.206 -4.444 -3.015
117 HD21 ASN 14 1HD2 ASN 14 4.913 -6.418 -3.951
118 HD22 ASN 14 2HD2 ASN 14 5.723 -5.211 -4.884
119 H HIS 15 H HIS 15 2.422 -2.972 -0.323
120 HA HIS 15 HA HIS 15 4.855 -1.338 -0.626
121 HB2 HIS 15 2HB HIS 15 1.977 -0.415 -0.514
122 HB3 HIS 15 1HB HIS 15 3.381 0.638 -0.654
123 HD1 HIS 15 1HD HIS 15 4.832 0.259 -2.929
124 HD2 HIS 15 2HD HIS 15 0.979 -1.290 -2.885
125 HE1 HIS 15 1HE HIS 15 4.245 -0.148 -5.336
126 HE2 HIS 15 2HE HIS 15 1.996 -1.280 -5.260
127 H LYS 16 H LYS 16 4.104 -3.140 1.580
128 HA LYS 16 HA LYS 16 3.374 -1.514 3.814
129 HB2 LYS 16 2HB LYS 16 3.273 -4.150 3.440
130 HB3 LYS 16 1HB LYS 16 4.851 -4.071 4.214
131 HG2 LYS 16 2HG LYS 16 3.386 -2.518 5.882
132 HG3 LYS 16 1HG LYS 16 2.172 -3.678 5.341
133 HD2 LYS 16 2HD LYS 16 3.193 -4.547 7.322
134 HD3 LYS 16 1HD LYS 16 3.756 -5.509 5.954
135 HE2 LYS 16 2HE LYS 16 5.552 -4.931 7.564
136 HE3 LYS 16 1HE LYS 16 5.859 -4.346 5.930
137 HZ1 LYS 16 3HZ LYS 16 4.643 -2.631 8.016
138 HZ2 LYS 16 1HZ LYS 16 5.346 -2.154 6.550
139 HZ3 LYS 16 2HZ LYS 16 6.316 -2.745 7.807
140 H LYS 17 H LYS 17 6.173 -1.811 2.042
141 HA LYS 17 HA LYS 17 8.062 -1.449 4.166
142 HB2 LYS 17 2HB LYS 17 8.282 -1.174 1.167
143 HB3 LYS 17 1HB LYS 17 9.634 -0.906 2.256
144 HG2 LYS 17 2HG LYS 17 9.515 -3.199 3.024
145 HG3 LYS 17 1HG LYS 17 8.088 -3.480 2.026
146 HD2 LYS 17 2HD LYS 17 9.412 -3.040 0.012
147 HD3 LYS 17 1HD LYS 17 10.839 -2.760 1.013
148 HE2 LYS 17 2HE LYS 17 10.727 -5.055 1.832
149 HE3 LYS 17 1HE LYS 17 9.280 -5.339 0.865
150 HZ1 LYS 17 3HZ LYS 17 10.565 -4.986 -1.132
151 HZ2 LYS 17 1HZ LYS 17 11.289 -6.196 -0.197
152 HZ3 LYS 17 2HZ LYS 17 11.953 -4.640 -0.228
153 H PHE 18 H PHE 18 6.510 0.578 1.759
154 HA PHE 18 HA PHE 18 7.753 2.989 2.684
155 HB2 PHE 18 2HB PHE 18 6.894 2.561 0.325
156 HB3 PHE 18 1HB PHE 18 5.270 2.747 0.974
157 HD1 PHE 18 2HD PHE 18 8.481 4.492 0.434
158 HD2 PHE 18 1HD PHE 18 4.344 4.876 1.350
159 HE1 PHE 18 2HE PHE 18 8.644 6.927 0.127
160 HE2 PHE 18 1HE PHE 18 4.499 7.313 1.043
161 HZ PHE 18 HZ PHE 18 6.650 8.341 0.431
162 H CYS 19 H CYS 19 4.563 1.488 2.919
163 HA CYS 19 HA CYS 19 3.733 3.513 4.850
164 HB2 CYS 19 2HB CYS 19 2.204 1.300 3.471
165 HB3 CYS 19 1HB CYS 19 1.507 2.335 4.713
166 HN1 NH2 20 1H CYS 19 5.094 2.927 6.542
167 HN2 NH2 20 2H CYS 19 4.818 1.515 7.497
Start of MODEL 15
1 H1 PHE 1 1HT PHE 1 4.769 6.545 -6.894
2 H2 PHE 1 2HT PHE 1 3.759 7.747 -6.256
3 H3 PHE 1 3HT PHE 1 3.253 6.836 -7.587
4 HA PHE 1 HA PHE 1 3.077 4.871 -6.305
5 HB2 PHE 1 2HB PHE 1 4.995 5.181 -4.846
6 HB3 PHE 1 1HB PHE 1 4.244 6.580 -4.089
7 HD1 PHE 1 1HD PHE 1 3.596 2.951 -4.672
8 HD2 PHE 1 2HD PHE 1 3.184 6.295 -2.071
9 HE1 PHE 1 1HE PHE 1 2.611 1.491 -2.954
10 HE2 PHE 1 2HE PHE 1 2.198 4.840 -0.349
11 HZ PHE 1 HZ PHE 1 1.910 2.434 -0.791
12 H ASN 2 H ASN 2 1.112 4.401 -5.276
13 HA ASN 2 HA ASN 2 -0.615 6.745 -4.860
14 HB2 ASN 2 2HB ASN 2 -1.170 4.991 -6.672
15 HB3 ASN 2 1HB ASN 2 -1.600 3.935 -5.330
16 HD21 ASN 2 1HD2 ASN 2 -3.274 5.018 -7.441
17 HD22 ASN 2 2HD2 ASN 2 -4.526 5.913 -6.657
18 H TRP 3 H TRP 3 -0.859 7.213 -2.794
19 HA TRP 3 HA TRP 3 -0.218 5.527 -0.655
20 HB2 TRP 3 2HB TRP 3 -1.178 7.242 0.778
21 HB3 TRP 3 1HB TRP 3 -0.231 7.987 -0.503
22 HD1 TRP 3 HD TRP 3 -1.717 9.092 -2.577
23 HE1 TRP 3 1HE TRP 3 -4.006 10.261 -2.481
24 HE3 TRP 3 3HE TRP 3 -3.349 7.313 1.929
25 HZ2 TRP 3 2HZ TRP 3 -6.215 10.408 -0.727
26 HZ3 TRP 3 3HZ TRP 3 -5.560 8.017 2.745
27 HH2 TRP 3 HH TRP 3 -6.962 9.534 1.443
28 H ARG 4 H ARG 4 -3.044 5.697 -2.555
29 HA ARG 4 HA ARG 4 -4.962 4.839 -0.698
30 HB2 ARG 4 2HB ARG 4 -4.746 4.849 -3.652
31 HB3 ARG 4 1HB ARG 4 -5.938 3.774 -2.940
32 HG2 ARG 4 2HG ARG 4 -6.575 5.970 -1.601
33 HG3 ARG 4 1HG ARG 4 -5.847 6.736 -3.017
34 HD2 ARG 4 2HD ARG 4 -8.229 6.482 -3.355
35 HD3 ARG 4 1HD ARG 4 -7.350 5.431 -4.466
36 HE ARG 4 HE ARG 4 -8.484 4.394 -1.952
37 HH11 ARG 4 1HH1 ARG 4 -8.187 4.288 -5.435
38 HH12 ARG 4 2HH1 ARG 4 -9.057 2.801 -5.598
39 HH21 ARG 4 1HH2 ARG 4 -9.643 2.426 -2.156
40 HH22 ARG 4 2HH2 ARG 4 -9.891 1.739 -3.727
41 H CYS 5 H CYS 5 -2.457 3.203 -2.299
42 HA CYS 5 HA CYS 5 -3.367 0.550 -2.194
43 HB2 CYS 5 2HB CYS 5 -0.709 1.873 -2.306
44 HB3 CYS 5 1HB CYS 5 -0.750 0.174 -1.850
45 H CYS 6 H CYS 6 -2.042 2.677 0.220
46 HA CYS 6 HA CYS 6 -1.440 0.637 2.132
47 HB2 CYS 6 2HB CYS 6 -2.017 3.505 2.839
48 HB3 CYS 6 1HB CYS 6 -0.898 2.377 3.606
49 H LEU 7 H LEU 7 -4.313 2.082 1.069
50 HA LEU 7 HA LEU 7 -5.775 1.409 3.510
51 HB2 LEU 7 2HB LEU 7 -6.847 2.632 0.967
52 HB3 LEU 7 1HB LEU 7 -7.648 2.563 2.524
53 HG LEU 7 HG LEU 7 -5.131 4.141 1.986
54 HD11 LEU 7 1HD1 LEU 7 -6.578 6.111 2.016
55 HD12 LEU 7 2HD1 LEU 7 -7.996 5.068 2.133
56 HD13 LEU 7 3HD1 LEU 7 -6.988 5.027 0.686
57 HD21 LEU 7 3HD2 LEU 7 -5.638 5.205 4.119
58 HD22 LEU 7 1HD2 LEU 7 -5.429 3.465 4.319
59 HD23 LEU 7 2HD2 LEU 7 -7.048 4.164 4.316
60 H ILE 8 H ILE 8 -4.696 -0.087 0.842
61 HA ILE 8 HA ILE 8 -6.979 -1.952 0.736
62 HB ILE 8 HB ILE 8 -5.009 -1.397 -1.495
63 HG12 ILE 8 2HG1 ILE 8 -7.927 -0.613 -1.378
64 HG13 ILE 8 1HG1 ILE 8 -6.613 0.491 -0.983
65 HG21 ILE 8 1HG2 ILE 8 -5.883 -3.668 -1.512
66 HG22 ILE 8 2HG2 ILE 8 -6.544 -2.741 -2.859
67 HG23 ILE 8 3HG2 ILE 8 -7.534 -3.049 -1.432
68 HD11 ILE 8 3HD1 ILE 8 -7.045 -0.856 -3.640
69 HD12 ILE 8 1HD1 ILE 8 -5.741 0.264 -3.246
70 HD13 ILE 8 2HD1 ILE 8 -7.413 0.826 -3.252
71 HA PRO 9 HA PRO 9 -3.914 -4.501 2.886
72 HB2 PRO 9 2HB PRO 9 -6.033 -6.460 2.097
73 HB3 PRO 9 1HB PRO 9 -5.193 -6.273 3.642
74 HG2 PRO 9 2HG PRO 9 -7.664 -5.355 3.351
75 HG3 PRO 9 1HG PRO 9 -6.456 -4.419 4.253
76 HD2 PRO 9 2HD PRO 9 -7.553 -3.964 1.521
77 HD3 PRO 9 1HD PRO 9 -7.023 -2.785 2.737
78 H ALA 10 H ALA 10 -5.414 -5.271 -0.219
79 HA ALA 10 HA ALA 10 -3.663 -7.362 -0.943
80 HB1 ALA 10 1HB ALA 10 -5.249 -5.531 -2.736
81 HB2 ALA 10 2HB ALA 10 -5.844 -7.017 -1.996
82 HB3 ALA 10 3HB ALA 10 -4.547 -7.084 -3.189
83 H CYS 11 H CYS 11 -3.509 -3.864 -1.417
84 HA CYS 11 HA CYS 11 -1.090 -4.117 -3.024
85 HB2 CYS 11 2HB CYS 11 -3.026 -2.412 -3.411
86 HB3 CYS 11 1HB CYS 11 -2.250 -1.494 -2.126
87 H ARG 12 H ARG 12 -2.116 -2.919 0.141
88 HA ARG 12 HA ARG 12 0.347 -1.814 0.945
89 HB2 ARG 12 2HB ARG 12 -2.027 -1.669 2.018
90 HB3 ARG 12 1HB ARG 12 -1.537 -3.111 2.886
91 HG2 ARG 12 2HG ARG 12 0.371 -0.868 2.941
92 HG3 ARG 12 1HG ARG 12 -1.150 -0.623 3.801
93 HD2 ARG 12 2HD ARG 12 -0.776 -2.584 5.134
94 HD3 ARG 12 1HD ARG 12 0.644 -3.014 4.182
95 HE ARG 12 HE ARG 12 1.547 -0.787 5.074
96 HH11 ARG 12 1HH1 ARG 12 -0.621 -2.884 6.842
97 HH12 ARG 12 2HH1 ARG 12 -0.039 -2.396 8.398
98 HH21 ARG 12 1HH2 ARG 12 2.325 -0.123 7.115
99 HH22 ARG 12 2HH2 ARG 12 1.647 -0.821 8.555
100 H ARG 13 H ARG 13 -0.812 -5.045 0.766
101 HA ARG 13 HA ARG 13 0.873 -6.374 2.541
102 HB2 ARG 13 2HB ARG 13 -0.980 -7.511 1.527
103 HB3 ARG 13 1HB ARG 13 -0.345 -7.228 -0.083
104 HG2 ARG 13 2HG ARG 13 1.623 -8.676 0.595
105 HG3 ARG 13 1HG ARG 13 0.660 -9.132 2.004
106 HD2 ARG 13 2HD ARG 13 0.491 -10.692 0.038
107 HD3 ARG 13 1HD ARG 13 -1.045 -10.071 0.644
108 HE ARG 13 HE ARG 13 -0.802 -8.379 -1.249
109 HH11 ARG 13 1HH1 ARG 13 0.450 -11.642 -1.407
110 HH12 ARG 13 2HH1 ARG 13 0.327 -11.747 -3.131
111 HH21 ARG 13 1HH2 ARG 13 -0.965 -8.501 -3.522
112 HH22 ARG 13 2HH2 ARG 13 -0.484 -9.951 -4.340
113 H ASN 14 H ASN 14 1.422 -5.246 -0.719
114 HA ASN 14 HA ASN 14 4.114 -6.391 -0.751
115 HB2 ASN 14 2HB ASN 14 3.066 -6.811 -2.800
116 HB3 ASN 14 1HB ASN 14 2.285 -5.235 -2.836
117 HD21 ASN 14 1HD2 ASN 14 5.231 -6.992 -3.425
118 HD22 ASN 14 2HD2 ASN 14 6.006 -5.764 -4.359
119 H HIS 15 H HIS 15 2.450 -3.427 -0.265
120 HA HIS 15 HA HIS 15 4.956 -1.916 -0.568
121 HB2 HIS 15 2HB HIS 15 2.085 -0.978 -0.611
122 HB3 HIS 15 1HB HIS 15 3.468 0.111 -0.598
123 HD1 HIS 15 1HD HIS 15 5.126 -0.169 -2.735
124 HD2 HIS 15 2HD HIS 15 1.337 -1.828 -3.085
125 HE1 HIS 15 1HE HIS 15 4.781 -0.541 -5.196
126 HE2 HIS 15 2HE HIS 15 2.564 -1.723 -5.355
127 H LYS 16 H LYS 16 4.646 -3.495 1.684
128 HA LYS 16 HA LYS 16 3.610 -2.150 3.932
129 HB2 LYS 16 2HB LYS 16 5.799 -4.220 3.704
130 HB3 LYS 16 1HB LYS 16 5.148 -3.654 5.235
131 HG2 LYS 16 2HG LYS 16 2.972 -4.531 4.687
132 HG3 LYS 16 1HG LYS 16 3.535 -4.998 3.079
133 HD2 LYS 16 2HD LYS 16 5.164 -6.523 4.115
134 HD3 LYS 16 1HD LYS 16 4.549 -6.079 5.709
135 HE2 LYS 16 2HE LYS 16 2.383 -6.994 5.172
136 HE3 LYS 16 1HE LYS 16 2.892 -7.320 3.517
137 HZ1 LYS 16 3HZ LYS 16 4.474 -8.922 4.326
138 HZ2 LYS 16 1HZ LYS 16 2.940 -9.303 4.930
139 HZ3 LYS 16 2HZ LYS 16 4.085 -8.567 5.933
140 H LYS 17 H LYS 17 6.748 -2.083 2.371
141 HA LYS 17 HA LYS 17 8.112 -0.621 4.362
142 HB2 LYS 17 2HB LYS 17 8.627 -1.049 1.426
143 HB3 LYS 17 1HB LYS 17 9.695 -0.081 2.430
144 HG2 LYS 17 2HG LYS 17 10.075 -2.033 3.878
145 HG3 LYS 17 1HG LYS 17 9.035 -2.993 2.825
146 HD2 LYS 17 2HD LYS 17 11.528 -1.578 1.889
147 HD3 LYS 17 1HD LYS 17 11.492 -3.263 2.409
148 HE2 LYS 17 2HE LYS 17 9.822 -3.734 0.652
149 HE3 LYS 17 1HE LYS 17 9.949 -2.060 0.112
150 HZ1 LYS 17 3HZ LYS 17 12.169 -4.035 0.140
151 HZ2 LYS 17 1HZ LYS 17 12.278 -2.434 -0.397
152 HZ3 LYS 17 2HZ LYS 17 11.310 -3.544 -1.230
153 H PHE 18 H PHE 18 6.323 0.338 1.506
154 HA PHE 18 HA PHE 18 6.975 3.093 1.640
155 HB2 PHE 18 2HB PHE 18 4.779 1.548 0.272
156 HB3 PHE 18 1HB PHE 18 4.848 3.305 0.202
157 HD1 PHE 18 2HD PHE 18 6.581 4.433 -1.046
158 HD2 PHE 18 1HD PHE 18 6.398 0.185 -0.892
159 HE1 PHE 18 2HE PHE 18 8.133 4.302 -2.949
160 HE2 PHE 18 1HE PHE 18 7.951 0.045 -2.796
161 HZ PHE 18 HZ PHE 18 8.821 2.107 -3.826
162 H CYS 19 H CYS 19 4.132 1.230 2.654
163 HA CYS 19 HA CYS 19 3.113 3.569 4.070
164 HB2 CYS 19 2HB CYS 19 1.718 0.912 3.992
165 HB3 CYS 19 1HB CYS 19 1.031 2.525 4.127
166 HN1 NH2 20 1H CYS 19 5.098 3.275 5.462
167 HN2 NH2 20 2H CYS 19 4.925 2.284 6.866
Start of MODEL 16
1 H1 PHE 1 1HT PHE 1 2.693 9.163 -5.555
2 H2 PHE 1 2HT PHE 1 2.837 8.200 -6.935
3 H3 PHE 1 3HT PHE 1 4.216 8.618 -6.051
4 HA PHE 1 HA PHE 1 3.512 6.325 -5.655
5 HB2 PHE 1 2HB PHE 1 4.773 7.435 -3.917
6 HB3 PHE 1 1HB PHE 1 3.337 8.274 -3.344
7 HD1 PHE 1 2HD PHE 1 4.423 4.755 -3.980
8 HD2 PHE 1 1HD PHE 1 2.415 7.488 -1.411
9 HE1 PHE 1 2HE PHE 1 3.993 2.933 -2.385
10 HE2 PHE 1 1HE PHE 1 1.982 5.671 0.190
11 HZ PHE 1 HZ PHE 1 2.769 3.391 -0.297
12 H ASN 2 H ASN 2 1.895 4.883 -5.121
13 HA ASN 2 HA ASN 2 -0.812 5.957 -5.206
14 HB2 ASN 2 2HB ASN 2 -0.036 4.006 -6.652
15 HB3 ASN 2 1HB ASN 2 -0.014 3.043 -5.179
16 HD21 ASN 2 1HD2 ASN 2 -1.614 2.560 -7.476
17 HD22 ASN 2 2HD2 ASN 2 -3.267 2.687 -6.993
18 H TRP 3 H TRP 3 -0.754 6.865 -3.083
19 HA TRP 3 HA TRP 3 -0.250 5.396 -0.745
20 HB2 TRP 3 2HB TRP 3 -1.570 7.218 0.397
21 HB3 TRP 3 1HB TRP 3 -0.238 7.781 -0.606
22 HD1 TRP 3 HD TRP 3 -0.880 9.059 -2.891
23 HE1 TRP 3 1HE TRP 3 -3.020 10.296 -3.605
24 HE3 TRP 3 3HE TRP 3 -4.105 7.201 0.618
25 HZ2 TRP 3 2HZ TRP 3 -5.713 10.467 -2.790
26 HZ3 TRP 3 3HZ TRP 3 -6.446 7.959 0.583
27 HH2 TRP 3 HH TRP 3 -7.231 9.558 -1.087
28 H ARG 4 H ARG 4 -2.930 5.428 -2.860
29 HA ARG 4 HA ARG 4 -4.959 4.645 -1.086
30 HB2 ARG 4 2HB ARG 4 -4.580 4.575 -4.025
31 HB3 ARG 4 1HB ARG 4 -5.812 3.519 -3.355
32 HG2 ARG 4 2HG ARG 4 -5.681 6.479 -2.837
33 HG3 ARG 4 1HG ARG 4 -6.639 5.741 -4.123
34 HD2 ARG 4 2HD ARG 4 -7.878 4.449 -2.460
35 HD3 ARG 4 1HD ARG 4 -6.914 5.174 -1.173
36 HE ARG 4 HE ARG 4 -8.023 7.284 -2.540
37 HH11 ARG 4 1HH1 ARG 4 -9.226 4.492 -0.818
38 HH12 ARG 4 2HH1 ARG 4 -10.694 5.264 -0.317
39 HH21 ARG 4 1HH2 ARG 4 -9.964 8.322 -1.885
40 HH22 ARG 4 2HH2 ARG 4 -11.115 7.452 -0.928
41 H CYS 5 H CYS 5 -2.399 2.965 -2.583
42 HA CYS 5 HA CYS 5 -3.324 0.322 -2.349
43 HB2 CYS 5 2HB CYS 5 -0.660 1.625 -2.551
44 HB3 CYS 5 1HB CYS 5 -0.704 -0.047 -2.004
45 H CYS 6 H CYS 6 -1.962 2.573 -0.071
46 HA CYS 6 HA CYS 6 -1.368 0.624 1.947
47 HB2 CYS 6 2HB CYS 6 -1.846 3.539 2.509
48 HB3 CYS 6 1HB CYS 6 -0.737 2.421 3.304
49 H LEU 7 H LEU 7 -4.216 2.026 0.821
50 HA LEU 7 HA LEU 7 -5.645 1.585 3.329
51 HB2 LEU 7 2HB LEU 7 -6.622 2.711 0.703
52 HB3 LEU 7 1HB LEU 7 -7.560 2.620 2.181
53 HG LEU 7 HG LEU 7 -5.068 4.280 1.786
54 HD11 LEU 7 1HD1 LEU 7 -6.579 6.187 1.895
55 HD12 LEU 7 2HD1 LEU 7 -7.961 5.097 2.008
56 HD13 LEU 7 3HD1 LEU 7 -6.985 5.134 0.540
57 HD21 LEU 7 3HD2 LEU 7 -5.319 3.495 4.089
58 HD22 LEU 7 1HD2 LEU 7 -6.967 4.123 4.125
59 HD23 LEU 7 2HD2 LEU 7 -5.604 5.231 3.967
60 H ILE 8 H ILE 8 -4.716 -0.063 0.651
61 HA ILE 8 HA ILE 8 -7.019 -1.901 0.761
62 HB ILE 8 HB ILE 8 -5.033 -1.577 -1.501
63 HG12 ILE 8 2HG1 ILE 8 -7.934 -0.729 -1.457
64 HG13 ILE 8 1HG1 ILE 8 -6.601 0.377 -1.141
65 HG21 ILE 8 1HG2 ILE 8 -5.958 -3.826 -1.340
66 HG22 ILE 8 2HG2 ILE 8 -6.595 -2.992 -2.759
67 HG23 ILE 8 3HG2 ILE 8 -7.593 -3.165 -1.316
68 HD11 ILE 8 3HD1 ILE 8 -7.063 -1.160 -3.686
69 HD12 ILE 8 1HD1 ILE 8 -5.718 -0.062 -3.377
70 HD13 ILE 8 2HD1 ILE 8 -7.369 0.559 -3.432
71 HA PRO 9 HA PRO 9 -4.080 -4.440 3.043
72 HB2 PRO 9 2HB PRO 9 -6.195 -6.430 2.349
73 HB3 PRO 9 1HB PRO 9 -5.412 -6.113 3.902
74 HG2 PRO 9 2HG PRO 9 -7.870 -5.230 3.446
75 HG3 PRO 9 1HG PRO 9 -6.698 -4.219 4.312
76 HD2 PRO 9 2HD PRO 9 -7.660 -4.017 1.493
77 HD3 PRO 9 1HD PRO 9 -7.242 -2.727 2.639
78 H ALA 10 H ALA 10 -5.475 -5.241 -0.086
79 HA ALA 10 HA ALA 10 -3.737 -7.428 -0.632
80 HB1 ALA 10 1HB ALA 10 -5.918 -7.182 -1.716
81 HB2 ALA 10 2HB ALA 10 -4.612 -7.320 -2.894
82 HB3 ALA 10 3HB ALA 10 -5.334 -5.746 -2.557
83 H CYS 11 H CYS 11 -3.552 -3.960 -1.222
84 HA CYS 11 HA CYS 11 -1.133 -4.340 -2.825
85 HB2 CYS 11 2HB CYS 11 -3.074 -2.692 -3.399
86 HB3 CYS 11 1HB CYS 11 -2.313 -1.651 -2.200
87 H ARG 12 H ARG 12 -2.219 -2.974 0.231
88 HA ARG 12 HA ARG 12 0.152 -1.690 1.006
89 HB2 ARG 12 2HB ARG 12 -2.058 -1.468 2.130
90 HB3 ARG 12 1HB ARG 12 -1.852 -3.076 2.792
91 HG2 ARG 12 2HG ARG 12 0.088 -2.355 4.043
92 HG3 ARG 12 1HG ARG 12 -0.025 -0.745 3.330
93 HD2 ARG 12 2HD ARG 12 -0.967 -0.777 5.579
94 HD3 ARG 12 1HD ARG 12 -2.206 -0.427 4.375
95 HE ARG 12 HE ARG 12 -1.859 -3.117 5.534
96 HH11 ARG 12 1HH1 ARG 12 -3.879 -0.400 4.629
97 HH12 ARG 12 2HH1 ARG 12 -5.358 -1.177 5.105
98 HH21 ARG 12 1HH2 ARG 12 -3.810 -4.148 6.162
99 HH22 ARG 12 2HH2 ARG 12 -5.315 -3.312 5.981
100 H ARG 13 H ARG 13 -0.881 -5.002 1.187
101 HA ARG 13 HA ARG 13 1.027 -6.074 2.905
102 HB2 ARG 13 2HB ARG 13 -0.881 -7.352 2.191
103 HB3 ARG 13 1HB ARG 13 -0.374 -7.267 0.512
104 HG2 ARG 13 2HG ARG 13 1.648 -8.597 1.146
105 HG3 ARG 13 1HG ARG 13 0.920 -8.818 2.740
106 HD2 ARG 13 2HD ARG 13 0.524 -10.688 1.098
107 HD3 ARG 13 1HD ARG 13 -0.925 -9.999 1.833
108 HE ARG 13 HE ARG 13 -0.123 -8.916 -0.747
109 HH11 ARG 13 1HH1 ARG 13 -2.203 -11.111 1.019
110 HH12 ARG 13 2HH1 ARG 13 -3.375 -11.231 -0.250
111 HH21 ARG 13 1HH2 ARG 13 -1.675 -9.052 -2.424
112 HH22 ARG 13 2HH2 ARG 13 -3.071 -10.059 -2.219
113 H ASN 14 H ASN 14 1.230 -5.279 -0.498
114 HA ASN 14 HA ASN 14 3.887 -6.443 -0.742
115 HB2 ASN 14 2HB ASN 14 2.621 -6.822 -2.678
116 HB3 ASN 14 1HB ASN 14 1.933 -5.204 -2.662
117 HD21 ASN 14 1HD2 ASN 14 4.761 -7.106 -3.429
118 HD22 ASN 14 2HD2 ASN 14 5.501 -5.937 -4.461
119 H HIS 15 H HIS 15 2.387 -3.381 -0.197
120 HA HIS 15 HA HIS 15 4.962 -2.019 -0.629
121 HB2 HIS 15 2HB HIS 15 2.157 -0.892 -0.563
122 HB3 HIS 15 1HB HIS 15 3.616 0.088 -0.677
123 HD1 HIS 15 1HD HIS 15 5.036 -0.215 -2.920
124 HD2 HIS 15 2HD HIS 15 1.252 -1.926 -2.931
125 HE1 HIS 15 1HE HIS 15 4.514 -0.679 -5.333
126 HE2 HIS 15 2HE HIS 15 2.312 -1.899 -5.284
127 H LYS 16 H LYS 16 4.511 -3.561 1.686
128 HA LYS 16 HA LYS 16 3.645 -2.039 3.899
129 HB2 LYS 16 2HB LYS 16 5.328 -4.496 3.576
130 HB3 LYS 16 1HB LYS 16 5.192 -3.731 5.153
131 HG2 LYS 16 2HG LYS 16 2.799 -4.032 5.138
132 HG3 LYS 16 1HG LYS 16 2.866 -4.693 3.502
133 HD2 LYS 16 2HD LYS 16 2.674 -6.478 5.154
134 HD3 LYS 16 1HD LYS 16 4.224 -6.562 4.315
135 HE2 LYS 16 2HE LYS 16 5.253 -5.351 6.231
136 HE3 LYS 16 1HE LYS 16 3.708 -5.457 7.075
137 HZ1 LYS 16 3HZ LYS 16 5.203 -7.220 7.759
138 HZ2 LYS 16 1HZ LYS 16 5.345 -7.761 6.163
139 HZ3 LYS 16 2HZ LYS 16 3.860 -7.869 6.962
140 H LYS 17 H LYS 17 6.577 -2.030 2.107
141 HA LYS 17 HA LYS 17 8.199 -0.880 4.176
142 HB2 LYS 17 2HB LYS 17 8.867 -2.240 2.018
143 HB3 LYS 17 1HB LYS 17 8.893 -0.648 1.286
144 HG2 LYS 17 2HG LYS 17 10.503 0.100 2.975
145 HG3 LYS 17 1HG LYS 17 10.507 -1.521 3.671
146 HD2 LYS 17 2HD LYS 17 11.491 -2.452 1.726
147 HD3 LYS 17 1HD LYS 17 11.207 -0.980 0.795
148 HE2 LYS 17 2HE LYS 17 13.559 -1.209 1.465
149 HE3 LYS 17 1HE LYS 17 12.808 0.227 2.158
150 HZ1 LYS 17 3HZ LYS 17 14.178 -0.975 3.765
151 HZ2 LYS 17 1HZ LYS 17 13.203 -2.346 3.588
152 HZ3 LYS 17 2HZ LYS 17 12.557 -0.927 4.246
153 H PHE 18 H PHE 18 6.303 0.243 1.507
154 HA PHE 18 HA PHE 18 7.216 2.969 1.730
155 HB2 PHE 18 2HB PHE 18 4.933 1.785 0.136
156 HB3 PHE 18 1HB PHE 18 5.520 3.439 -0.002
157 HD1 PHE 18 2HD PHE 18 7.812 3.854 -0.877
158 HD2 PHE 18 1HD PHE 18 6.000 0.007 -0.980
159 HE1 PHE 18 2HE PHE 18 9.443 3.136 -2.574
160 HE2 PHE 18 1HE PHE 18 7.626 -0.720 -2.677
161 HZ PHE 18 HZ PHE 18 9.350 0.846 -3.476
162 H CYS 19 H CYS 19 4.281 1.148 2.504
163 HA CYS 19 HA CYS 19 3.143 3.514 3.783
164 HB2 CYS 19 2HB CYS 19 1.808 0.819 3.667
165 HB3 CYS 19 1HB CYS 19 1.074 2.410 3.796
166 HN1 NH2 20 1H CYS 19 5.154 3.147 5.239
167 HN2 NH2 20 2H CYS 19 4.857 2.250 6.687
Start of MODEL 17
1 H1 PHE 1 1HT PHE 1 3.929 5.823 -6.909
2 H2 PHE 1 2HT PHE 1 5.286 6.391 -6.075
3 H3 PHE 1 3HT PHE 1 3.977 7.423 -6.366
4 HA PHE 1 HA PHE 1 3.868 4.991 -4.687
5 HB2 PHE 1 2HB PHE 1 5.249 6.672 -3.604
6 HB3 PHE 1 1HB PHE 1 4.063 7.924 -3.950
7 HD1 PHE 1 1HD PHE 1 4.317 4.646 -2.183
8 HD2 PHE 1 2HD PHE 1 2.619 8.547 -2.279
9 HE1 PHE 1 1HE PHE 1 3.246 4.230 -0.007
10 HE2 PHE 1 2HE PHE 1 1.548 8.138 -0.102
11 HZ PHE 1 HZ PHE 1 1.860 5.978 1.036
12 H ASN 2 H ASN 2 1.843 4.564 -3.812
13 HA ASN 2 HA ASN 2 -0.366 6.316 -4.613
14 HB2 ASN 2 2HB ASN 2 -0.093 4.337 -6.211
15 HB3 ASN 2 1HB ASN 2 -0.549 3.310 -4.855
16 HD21 ASN 2 1HD2 ASN 2 -1.949 3.603 -7.324
17 HD22 ASN 2 2HD2 ASN 2 -3.513 4.235 -6.954
18 H TRP 3 H TRP 3 -0.883 7.016 -2.632
19 HA TRP 3 HA TRP 3 -0.674 5.585 -0.248
20 HB2 TRP 3 2HB TRP 3 -2.185 7.355 0.689
21 HB3 TRP 3 1HB TRP 3 -0.779 7.972 -0.170
22 HD1 TRP 3 HD TRP 3 -1.253 9.047 -2.647
23 HE1 TRP 3 1HE TRP 3 -3.351 10.212 -3.573
24 HE3 TRP 3 3HE TRP 3 -4.676 7.400 0.777
25 HZ2 TRP 3 2HZ TRP 3 -6.094 10.412 -2.934
26 HZ3 TRP 3 3HZ TRP 3 -7.015 8.129 0.550
27 HH2 TRP 3 HH TRP 3 -7.708 9.604 -1.269
28 H ARG 4 H ARG 4 -3.127 5.528 -2.663
29 HA ARG 4 HA ARG 4 -5.268 4.630 -1.081
30 HB2 ARG 4 2HB ARG 4 -4.640 4.585 -3.984
31 HB3 ARG 4 1HB ARG 4 -5.915 3.522 -3.410
32 HG2 ARG 4 2HG ARG 4 -5.836 6.497 -2.947
33 HG3 ARG 4 1HG ARG 4 -6.732 5.703 -4.244
34 HD2 ARG 4 2HD ARG 4 -8.038 4.467 -2.586
35 HD3 ARG 4 1HD ARG 4 -7.134 5.248 -1.289
36 HE ARG 4 HE ARG 4 -8.217 7.272 -2.841
37 HH11 ARG 4 1HH1 ARG 4 -9.390 4.638 -0.863
38 HH12 ARG 4 2HH1 ARG 4 -10.853 5.450 -0.415
39 HH21 ARG 4 1HH2 ARG 4 -10.151 8.356 -2.257
40 HH22 ARG 4 2HH2 ARG 4 -11.287 7.573 -1.212
41 H CYS 5 H CYS 5 -2.561 3.061 -2.461
42 HA CYS 5 HA CYS 5 -3.445 0.383 -2.245
43 HB2 CYS 5 2HB CYS 5 -0.795 1.735 -2.449
44 HB3 CYS 5 1HB CYS 5 -0.838 0.036 -1.993
45 H CYS 6 H CYS 6 -2.178 2.702 -0.006
46 HA CYS 6 HA CYS 6 -1.460 0.791 2.017
47 HB2 CYS 6 2HB CYS 6 -2.059 3.682 2.577
48 HB3 CYS 6 1HB CYS 6 -0.879 2.619 3.344
49 H LEU 7 H LEU 7 -4.362 2.089 0.895
50 HA LEU 7 HA LEU 7 -5.767 1.578 3.410
51 HB2 LEU 7 2HB LEU 7 -6.841 2.688 0.813
52 HB3 LEU 7 1HB LEU 7 -7.696 2.616 2.341
53 HG LEU 7 HG LEU 7 -5.221 4.271 1.833
54 HD11 LEU 7 1HD1 LEU 7 -8.114 5.100 2.012
55 HD12 LEU 7 2HD1 LEU 7 -7.123 5.094 0.553
56 HD13 LEU 7 3HD1 LEU 7 -6.732 6.188 1.880
57 HD21 LEU 7 3HD2 LEU 7 -5.463 3.579 4.161
58 HD22 LEU 7 1HD2 LEU 7 -7.118 4.191 4.178
59 HD23 LEU 7 2HD2 LEU 7 -5.767 5.307 3.978
60 H ILE 8 H ILE 8 -4.734 -0.054 0.794
61 HA ILE 8 HA ILE 8 -6.977 -1.964 0.884
62 HB ILE 8 HB ILE 8 -5.133 -1.430 -1.456
63 HG12 ILE 8 2HG1 ILE 8 -6.776 0.376 -1.113
64 HG13 ILE 8 1HG1 ILE 8 -7.103 -0.526 -2.589
65 HG21 ILE 8 1HG2 ILE 8 -5.800 -3.764 -1.331
66 HG22 ILE 8 2HG2 ILE 8 -6.586 -2.966 -2.693
67 HG23 ILE 8 3HG2 ILE 8 -7.495 -3.290 -1.218
68 HD11 ILE 8 3HD1 ILE 8 -8.551 -0.841 0.033
69 HD12 ILE 8 1HD1 ILE 8 -8.882 -1.747 -1.444
70 HD13 ILE 8 2HD1 ILE 8 -9.152 -0.005 -1.399
71 HA PRO 9 HA PRO 9 -3.731 -4.309 2.996
72 HB2 PRO 9 2HB PRO 9 -5.291 -6.648 2.848
73 HB3 PRO 9 1HB PRO 9 -5.194 -5.527 4.206
74 HG2 PRO 9 2HG PRO 9 -7.229 -5.714 2.045
75 HG3 PRO 9 1HG PRO 9 -7.428 -5.247 3.743
76 HD2 PRO 9 2HD PRO 9 -7.469 -3.424 1.791
77 HD3 PRO 9 1HD PRO 9 -6.708 -3.071 3.356
78 H ALA 10 H ALA 10 -5.366 -5.259 0.027
79 HA ALA 10 HA ALA 10 -3.611 -7.372 -0.660
80 HB1 ALA 10 1HB ALA 10 -5.855 -7.154 -1.609
81 HB2 ALA 10 2HB ALA 10 -4.624 -7.250 -2.868
82 HB3 ALA 10 3HB ALA 10 -5.351 -5.695 -2.463
83 H CYS 11 H CYS 11 -3.578 -3.899 -1.339
84 HA CYS 11 HA CYS 11 -1.236 -4.225 -3.047
85 HB2 CYS 11 2HB CYS 11 -3.179 -2.574 -3.506
86 HB3 CYS 11 1HB CYS 11 -2.429 -1.572 -2.267
87 H ARG 12 H ARG 12 -2.133 -3.014 0.124
88 HA ARG 12 HA ARG 12 0.349 -1.776 0.714
89 HB2 ARG 12 2HB ARG 12 -1.934 -1.539 1.912
90 HB3 ARG 12 1HB ARG 12 -1.433 -2.953 2.820
91 HG2 ARG 12 2HG ARG 12 0.622 -1.746 3.491
92 HG3 ARG 12 1HG ARG 12 -0.005 -0.308 2.684
93 HD2 ARG 12 2HD ARG 12 -1.943 -0.317 4.173
94 HD3 ARG 12 1HD ARG 12 -1.324 -1.763 4.973
95 HE ARG 12 HE ARG 12 0.710 -0.188 5.397
96 HH11 ARG 12 1HH1 ARG 12 -2.672 0.718 5.466
97 HH12 ARG 12 2HH1 ARG 12 -2.449 1.945 6.671
98 HH21 ARG 12 1HH2 ARG 12 1.021 1.453 6.951
99 HH22 ARG 12 2HH2 ARG 12 -0.341 2.368 7.516
100 H ARG 13 H ARG 13 -0.764 -5.044 0.818
101 HA ARG 13 HA ARG 13 1.023 -6.175 2.627
102 HB2 ARG 13 2HB ARG 13 -0.849 -7.413 1.620
103 HB3 ARG 13 1HB ARG 13 -0.030 -7.392 0.065
104 HG2 ARG 13 2HG ARG 13 0.237 -9.544 1.130
105 HG3 ARG 13 1HG ARG 13 1.795 -8.723 1.020
106 HD2 ARG 13 2HD ARG 13 1.355 -7.917 3.395
107 HD3 ARG 13 1HD ARG 13 0.050 -9.100 3.439
108 HE ARG 13 HE ARG 13 2.638 -10.133 2.654
109 HH11 ARG 13 1HH1 ARG 13 0.393 -9.567 5.275
110 HH12 ARG 13 2HH1 ARG 13 1.099 -10.757 6.317
111 HH21 ARG 13 1HH2 ARG 13 3.583 -11.712 4.022
112 HH22 ARG 13 2HH2 ARG 13 2.921 -11.983 5.601
113 H ASN 14 H ASN 14 1.440 -5.502 -0.826
114 HA ASN 14 HA ASN 14 4.245 -6.328 -0.657
115 HB2 ASN 14 2HB ASN 14 2.692 -7.071 -2.549
116 HB3 ASN 14 1HB ASN 14 2.780 -5.414 -3.135
117 HD21 ASN 14 1HD2 ASN 14 3.728 -6.198 -5.059
118 HD22 ASN 14 2HD2 ASN 14 5.392 -6.659 -5.110
119 H HIS 15 H HIS 15 2.700 -3.713 0.198
120 HA HIS 15 HA HIS 15 4.826 -1.902 -0.732
121 HB2 HIS 15 2HB HIS 15 1.862 -1.314 -0.602
122 HB3 HIS 15 1HB HIS 15 3.081 -0.051 -0.684
123 HD1 HIS 15 1HD HIS 15 4.455 -2.491 -2.800
124 HD2 HIS 15 2HD HIS 15 1.203 0.081 -3.146
125 HE1 HIS 15 1HE HIS 15 4.013 -2.287 -5.267
126 HE2 HIS 15 2HE HIS 15 1.902 -0.917 -5.425
127 H LYS 16 H LYS 16 4.412 -3.499 1.682
128 HA LYS 16 HA LYS 16 3.559 -1.844 3.821
129 HB2 LYS 16 2HB LYS 16 3.848 -4.428 3.717
130 HB3 LYS 16 1HB LYS 16 5.514 -4.095 4.171
131 HG2 LYS 16 2HG LYS 16 4.227 -2.626 6.020
132 HG3 LYS 16 1HG LYS 16 3.042 -3.906 5.759
133 HD2 LYS 16 2HD LYS 16 4.486 -4.577 7.548
134 HD3 LYS 16 1HD LYS 16 4.861 -5.571 6.138
135 HE2 LYS 16 2HE LYS 16 6.885 -4.798 7.312
136 HE3 LYS 16 1HE LYS 16 6.803 -4.212 5.652
137 HZ1 LYS 16 3HZ LYS 16 5.927 -2.595 7.978
138 HZ2 LYS 16 1HZ LYS 16 6.189 -2.064 6.391
139 HZ3 LYS 16 2HZ LYS 16 7.497 -2.535 7.358
140 H LYS 17 H LYS 17 6.268 -1.673 1.905
141 HA LYS 17 HA LYS 17 8.057 -0.682 3.953
142 HB2 LYS 17 2HB LYS 17 8.311 -1.027 0.971
143 HB3 LYS 17 1HB LYS 17 9.539 -0.210 1.924
144 HG2 LYS 17 2HG LYS 17 9.885 -2.237 3.234
145 HG3 LYS 17 1HG LYS 17 8.631 -3.057 2.301
146 HD2 LYS 17 2HD LYS 17 9.947 -2.784 0.268
147 HD3 LYS 17 1HD LYS 17 11.188 -1.915 1.174
148 HE2 LYS 17 2HE LYS 17 11.605 -3.908 2.522
149 HE3 LYS 17 1HE LYS 17 10.351 -4.776 1.637
150 HZ1 LYS 17 3HZ LYS 17 11.647 -4.519 -0.384
151 HZ2 LYS 17 1HZ LYS 17 12.553 -5.311 0.806
152 HZ3 LYS 17 2HZ LYS 17 12.849 -3.681 0.461
153 H PHE 18 H PHE 18 6.183 0.512 1.251
154 HA PHE 18 HA PHE 18 7.032 3.227 1.547
155 HB2 PHE 18 2HB PHE 18 4.639 2.123 0.058
156 HB3 PHE 18 1HB PHE 18 5.350 3.719 -0.146
157 HD1 PHE 18 2HD PHE 18 7.741 3.853 -1.007
158 HD2 PHE 18 1HD PHE 18 5.384 0.316 -1.200
159 HE1 PHE 18 2HE PHE 18 9.220 2.966 -2.761
160 HE2 PHE 18 1HE PHE 18 6.858 -0.578 -2.954
161 HZ PHE 18 HZ PHE 18 8.781 0.749 -3.738
162 H CYS 19 H CYS 19 4.114 1.388 2.347
163 HA CYS 19 HA CYS 19 3.013 3.712 3.727
164 HB2 CYS 19 2HB CYS 19 1.674 1.023 3.551
165 HB3 CYS 19 1HB CYS 19 0.942 2.607 3.756
166 HN1 NH2 20 1H CYS 19 5.015 3.346 5.157
167 HN2 NH2 20 2H CYS 19 4.745 2.412 6.586
Start of MODEL 18
1 H1 PHE 1 1HT PHE 1 4.246 8.124 -6.628
2 H2 PHE 1 2HT PHE 1 2.859 8.805 -5.935
3 H3 PHE 1 3HT PHE 1 2.737 7.910 -7.363
4 HA PHE 1 HA PHE 1 3.331 5.902 -6.250
5 HB2 PHE 1 2HB PHE 1 4.888 6.882 -4.623
6 HB3 PHE 1 1HB PHE 1 3.551 7.676 -3.800
7 HD1 PHE 1 2HD PHE 1 4.861 4.321 -4.713
8 HD2 PHE 1 1HD PHE 1 2.455 6.611 -2.053
9 HE1 PHE 1 2HE PHE 1 4.588 2.349 -3.266
10 HE2 PHE 1 1HE PHE 1 2.179 4.644 -0.602
11 HZ PHE 1 HZ PHE 1 3.244 2.509 -1.210
12 H ASN 2 H ASN 2 1.613 4.625 -5.649
13 HA ASN 2 HA ASN 2 -0.927 6.015 -5.300
14 HB2 ASN 2 2HB ASN 2 -0.661 4.169 -7.002
15 HB3 ASN 2 1HB ASN 2 -0.475 3.046 -5.658
16 HD21 ASN 2 1HD2 ASN 2 -2.309 1.883 -6.134
17 HD22 ASN 2 2HD2 ASN 2 -3.903 2.519 -5.932
18 H TRP 3 H TRP 3 -0.532 6.691 -3.139
19 HA TRP 3 HA TRP 3 0.075 4.987 -1.000
20 HB2 TRP 3 2HB TRP 3 -1.035 6.812 0.400
21 HB3 TRP 3 1HB TRP 3 0.316 7.307 -0.613
22 HD1 TRP 3 HD TRP 3 -0.208 8.944 -2.650
23 HE1 TRP 3 1HE TRP 3 -2.238 10.423 -3.208
24 HE3 TRP 3 3HE TRP 3 -3.613 6.907 0.579
25 HZ2 TRP 3 2HZ TRP 3 -4.924 10.693 -2.389
26 HZ3 TRP 3 3HZ TRP 3 -5.890 7.838 0.630
27 HH2 TRP 3 HH TRP 3 -6.531 9.692 -0.825
28 H ARG 4 H ARG 4 -2.782 5.371 -2.802
29 HA ARG 4 HA ARG 4 -4.736 4.652 -0.945
30 HB2 ARG 4 2HB ARG 4 -4.512 4.523 -3.912
31 HB3 ARG 4 1HB ARG 4 -5.839 3.679 -3.134
32 HG2 ARG 4 2HG ARG 4 -6.672 5.719 -2.197
33 HG3 ARG 4 1HG ARG 4 -5.245 6.602 -2.743
34 HD2 ARG 4 2HD ARG 4 -7.375 5.343 -4.464
35 HD3 ARG 4 1HD ARG 4 -7.077 7.065 -4.234
36 HE ARG 4 HE ARG 4 -4.817 5.609 -5.282
37 HH11 ARG 4 1HH1 ARG 4 -7.749 7.343 -6.095
38 HH12 ARG 4 2HH1 ARG 4 -7.232 7.720 -7.704
39 HH21 ARG 4 1HH2 ARG 4 -4.131 6.094 -7.394
40 HH22 ARG 4 2HH2 ARG 4 -5.161 7.008 -8.448
41 H CYS 5 H CYS 5 -2.404 2.821 -2.611
42 HA CYS 5 HA CYS 5 -3.483 0.243 -2.428
43 HB2 CYS 5 2HB CYS 5 -0.748 1.386 -2.641
44 HB3 CYS 5 1HB CYS 5 -0.881 -0.296 -2.141
45 H CYS 6 H CYS 6 -1.887 2.290 -0.103
46 HA CYS 6 HA CYS 6 -1.436 0.201 1.821
47 HB2 CYS 6 2HB CYS 6 -1.444 3.198 2.248
48 HB3 CYS 6 1HB CYS 6 -0.709 1.983 3.294
49 H LEU 7 H LEU 7 -4.158 1.912 0.838
50 HA LEU 7 HA LEU 7 -5.508 1.617 3.405
51 HB2 LEU 7 2HB LEU 7 -6.216 2.956 0.815
52 HB3 LEU 7 1HB LEU 7 -7.475 2.562 1.967
53 HG LEU 7 HG LEU 7 -6.946 4.814 2.372
54 HD11 LEU 7 1HD1 LEU 7 -5.972 4.828 4.614
55 HD12 LEU 7 2HD1 LEU 7 -5.405 3.175 4.375
56 HD13 LEU 7 3HD1 LEU 7 -7.134 3.518 4.414
57 HD21 LEU 7 3HD2 LEU 7 -4.671 5.649 2.702
58 HD22 LEU 7 1HD2 LEU 7 -4.875 4.933 1.103
59 HD23 LEU 7 2HD2 LEU 7 -4.032 4.039 2.370
60 H ILE 8 H ILE 8 -4.815 -0.112 0.698
61 HA ILE 8 HA ILE 8 -7.203 -1.821 0.944
62 HB ILE 8 HB ILE 8 -5.265 -1.675 -1.377
63 HG12 ILE 8 2HG1 ILE 8 -6.572 0.397 -1.185
64 HG13 ILE 8 1HG1 ILE 8 -7.056 -0.530 -2.601
65 HG21 ILE 8 1HG2 ILE 8 -6.253 -3.842 -1.261
66 HG22 ILE 8 2HG2 ILE 8 -7.060 -2.958 -2.555
67 HG23 ILE 8 3HG2 ILE 8 -7.856 -3.161 -0.994
68 HD11 ILE 8 3HD1 ILE 8 -8.529 -0.406 0.022
69 HD12 ILE 8 1HD1 ILE 8 -9.015 -1.346 -1.388
70 HD13 ILE 8 2HD1 ILE 8 -8.981 0.415 -1.472
71 HA PRO 9 HA PRO 9 -4.365 -4.506 3.184
72 HB2 PRO 9 2HB PRO 9 -6.622 -6.380 2.672
73 HB3 PRO 9 1HB PRO 9 -5.780 -6.013 4.181
74 HG2 PRO 9 2HG PRO 9 -8.201 -5.025 3.720
75 HG3 PRO 9 1HG PRO 9 -6.958 -4.038 4.510
76 HD2 PRO 9 2HD PRO 9 -7.955 -3.938 1.695
77 HD3 PRO 9 1HD PRO 9 -7.469 -2.610 2.769
78 H ALA 10 H ALA 10 -5.547 -4.917 -0.006
79 HA ALA 10 HA ALA 10 -4.071 -7.380 -0.460
80 HB1 ALA 10 1HB ALA 10 -6.276 -7.107 -1.485
81 HB2 ALA 10 2HB ALA 10 -5.015 -7.315 -2.700
82 HB3 ALA 10 3HB ALA 10 -5.682 -5.713 -2.386
83 H CYS 11 H CYS 11 -3.817 -3.936 -1.193
84 HA CYS 11 HA CYS 11 -1.455 -4.447 -2.856
85 HB2 CYS 11 2HB CYS 11 -3.387 -2.812 -3.475
86 HB3 CYS 11 1HB CYS 11 -2.600 -1.717 -2.346
87 H ARG 12 H ARG 12 -2.369 -3.331 0.266
88 HA ARG 12 HA ARG 12 -0.133 -1.776 0.952
89 HB2 ARG 12 2HB ARG 12 -2.280 -1.999 2.239
90 HB3 ARG 12 1HB ARG 12 -1.715 -3.554 2.803
91 HG2 ARG 12 2HG ARG 12 0.323 -2.319 3.698
92 HG3 ARG 12 1HG ARG 12 -0.601 -0.843 3.418
93 HD2 ARG 12 2HD ARG 12 -1.555 -3.161 5.094
94 HD3 ARG 12 1HD ARG 12 -0.771 -1.721 5.742
95 HE ARG 12 HE ARG 12 -2.765 -0.594 4.434
96 HH11 ARG 12 1HH1 ARG 12 -2.814 -3.442 6.473
97 HH12 ARG 12 2HH1 ARG 12 -4.457 -3.216 6.967
98 HH21 ARG 12 1HH2 ARG 12 -4.919 -0.290 5.071
99 HH22 ARG 12 2HH2 ARG 12 -5.667 -1.412 6.163
100 H ARG 13 H ARG 13 -0.614 -5.182 0.736
101 HA ARG 13 HA ARG 13 1.448 -6.167 2.334
102 HB2 ARG 13 2HB ARG 13 0.569 -7.347 -0.303
103 HB3 ARG 13 1HB ARG 13 1.319 -8.196 1.038
104 HG2 ARG 13 2HG ARG 13 -0.635 -7.905 2.393
105 HG3 ARG 13 1HG ARG 13 -1.379 -6.875 1.168
106 HD2 ARG 13 2HD ARG 13 -1.206 -8.844 -0.407
107 HD3 ARG 13 1HD ARG 13 -0.777 -9.819 0.997
108 HE ARG 13 HE ARG 13 -3.146 -8.428 1.558
109 HH11 ARG 13 1HH1 ARG 13 -1.993 -10.987 -0.530
110 HH12 ARG 13 2HH1 ARG 13 -3.519 -11.802 -0.601
111 HH21 ARG 13 1HH2 ARG 13 -5.170 -9.499 1.476
112 HH22 ARG 13 2HH2 ARG 13 -5.336 -10.951 0.546
113 H ASN 14 H ASN 14 1.533 -4.956 -0.972
114 HA ASN 14 HA ASN 14 4.334 -5.667 -1.278
115 HB2 ASN 14 2HB ASN 14 2.996 -6.027 -3.216
116 HB3 ASN 14 1HB ASN 14 2.288 -4.420 -3.114
117 HD21 ASN 14 1HD2 ASN 14 5.155 -6.240 -3.936
118 HD22 ASN 14 2HD2 ASN 14 5.898 -5.004 -4.887
119 H HIS 15 H HIS 15 2.484 -2.963 -0.273
120 HA HIS 15 HA HIS 15 4.848 -1.238 -0.613
121 HB2 HIS 15 2HB HIS 15 1.946 -0.399 -0.452
122 HB3 HIS 15 1HB HIS 15 3.319 0.694 -0.605
123 HD1 HIS 15 1HD HIS 15 4.774 0.299 -2.899
124 HD2 HIS 15 2HD HIS 15 0.905 -1.210 -2.821
125 HE1 HIS 15 1HE HIS 15 4.156 -0.092 -5.302
126 HE2 HIS 15 2HE HIS 15 1.902 -1.212 -5.204
127 H LYS 16 H LYS 16 4.202 -3.102 1.548
128 HA LYS 16 HA LYS 16 3.410 -1.590 3.838
129 HB2 LYS 16 2HB LYS 16 3.192 -4.098 3.547
130 HB3 LYS 16 1HB LYS 16 4.926 -4.202 3.814
131 HG2 LYS 16 2HG LYS 16 4.579 -3.100 6.024
132 HG3 LYS 16 1HG LYS 16 2.841 -3.228 5.749
133 HD2 LYS 16 2HD LYS 16 2.994 -5.636 5.642
134 HD3 LYS 16 1HD LYS 16 4.752 -5.560 5.770
135 HE2 LYS 16 2HE LYS 16 4.505 -4.514 7.998
136 HE3 LYS 16 1HE LYS 16 2.757 -4.711 7.866
137 HZ1 LYS 16 3HZ LYS 16 4.740 -6.921 7.834
138 HZ2 LYS 16 1HZ LYS 16 3.061 -7.097 7.748
139 HZ3 LYS 16 2HZ LYS 16 3.776 -6.491 9.155
140 H LYS 17 H LYS 17 6.314 -1.929 2.101
141 HA LYS 17 HA LYS 17 8.062 -1.361 4.304
142 HB2 LYS 17 2HB LYS 17 8.354 -2.003 1.473
143 HB3 LYS 17 1HB LYS 17 9.490 -0.774 2.013
144 HG2 LYS 17 2HG LYS 17 9.126 -3.505 3.231
145 HG3 LYS 17 1HG LYS 17 10.460 -2.992 2.194
146 HD2 LYS 17 2HD LYS 17 11.181 -1.384 3.844
147 HD3 LYS 17 1HD LYS 17 9.778 -1.739 4.853
148 HE2 LYS 17 2HE LYS 17 10.590 -4.062 5.096
149 HE3 LYS 17 1HE LYS 17 12.028 -3.627 4.171
150 HZ1 LYS 17 3HZ LYS 17 12.433 -3.558 6.558
151 HZ2 LYS 17 1HZ LYS 17 11.211 -2.404 6.752
152 HZ3 LYS 17 2HZ LYS 17 12.604 -2.021 5.872
153 H PHE 18 H PHE 18 6.265 0.429 1.999
154 HA PHE 18 HA PHE 18 7.694 2.899 2.560
155 HB2 PHE 18 2HB PHE 18 6.777 2.280 0.256
156 HB3 PHE 18 1HB PHE 18 5.174 2.571 0.921
157 HD1 PHE 18 1HD PHE 18 8.362 4.125 -0.023
158 HD2 PHE 18 2HD PHE 18 4.381 4.791 1.321
159 HE1 PHE 18 1HE PHE 18 8.592 6.519 -0.540
160 HE2 PHE 18 2HE PHE 18 4.603 7.186 0.807
161 HZ PHE 18 HZ PHE 18 6.711 8.053 -0.126
162 H CYS 19 H CYS 19 4.497 1.466 2.967
163 HA CYS 19 HA CYS 19 3.711 3.642 4.746
164 HB2 CYS 19 2HB CYS 19 2.147 1.347 3.555
165 HB3 CYS 19 1HB CYS 19 1.469 2.504 4.698
166 HN1 NH2 20 1H CYS 19 5.446 2.804 6.213
167 HN2 NH2 20 2H CYS 19 4.997 1.594 7.362
Start of MODEL 19
1 H1 PHE 1 1HT PHE 1 3.351 8.379 -5.784
2 H2 PHE 1 2HT PHE 1 3.052 7.561 -7.232
3 H3 PHE 1 3HT PHE 1 4.587 7.491 -6.525
4 HA PHE 1 HA PHE 1 3.343 5.448 -6.174
5 HB2 PHE 1 2HB PHE 1 5.016 6.099 -4.517
6 HB3 PHE 1 1HB PHE 1 3.846 7.128 -3.701
7 HD1 PHE 1 2HD PHE 1 4.366 3.576 -4.697
8 HD2 PHE 1 1HD PHE 1 2.697 6.297 -1.883
9 HE1 PHE 1 2HE PHE 1 3.708 1.687 -3.264
10 HE2 PHE 1 1HE PHE 1 2.037 4.414 -0.445
11 HZ PHE 1 HZ PHE 1 2.542 2.104 -1.137
12 H ASN 2 H ASN 2 1.466 4.422 -5.501
13 HA ASN 2 HA ASN 2 -0.864 6.151 -5.269
14 HB2 ASN 2 2HB ASN 2 -0.952 4.276 -6.858
15 HB3 ASN 2 1HB ASN 2 -0.664 3.140 -5.543
16 HD21 ASN 2 1HD2 ASN 2 -2.595 2.063 -5.963
17 HD22 ASN 2 2HD2 ASN 2 -4.129 2.740 -5.550
18 H TRP 3 H TRP 3 -0.823 6.937 -3.210
19 HA TRP 3 HA TRP 3 -0.203 5.492 -0.893
20 HB2 TRP 3 2HB TRP 3 -1.416 7.349 0.302
21 HB3 TRP 3 1HB TRP 3 -0.153 7.879 -0.804
22 HD1 TRP 3 HD TRP 3 -0.936 9.141 -3.049
23 HE1 TRP 3 1HE TRP 3 -3.115 10.373 -3.642
24 HE3 TRP 3 3HE TRP 3 -3.936 7.334 0.680
25 HZ2 TRP 3 2HZ TRP 3 -5.753 10.559 -2.659
26 HZ3 TRP 3 3HZ TRP 3 -6.273 8.093 0.784
27 HH2 TRP 3 HH TRP 3 -7.161 9.673 -0.852
28 H ARG 4 H ARG 4 -3.049 5.569 -2.801
29 HA ARG 4 HA ARG 4 -4.950 4.829 -0.877
30 HB2 ARG 4 2HB ARG 4 -4.782 4.715 -3.834
31 HB3 ARG 4 1HB ARG 4 -5.985 3.697 -3.061
32 HG2 ARG 4 2HG ARG 4 -6.871 5.722 -1.916
33 HG3 ARG 4 1HG ARG 4 -5.739 6.690 -2.861
34 HD2 ARG 4 2HD ARG 4 -7.890 6.732 -3.935
35 HD3 ARG 4 1HD ARG 4 -6.770 5.799 -4.928
36 HE ARG 4 HE ARG 4 -8.220 4.112 -3.162
37 HH11 ARG 4 1HH1 ARG 4 -8.534 5.924 -6.138
38 HH12 ARG 4 2HH1 ARG 4 -9.779 4.907 -6.783
39 HH21 ARG 4 1HH2 ARG 4 -9.867 2.757 -4.006
40 HH22 ARG 4 2HH2 ARG 4 -10.540 3.098 -5.566
41 H CYS 5 H CYS 5 -2.504 3.093 -2.462
42 HA CYS 5 HA CYS 5 -3.448 0.458 -2.221
43 HB2 CYS 5 2HB CYS 5 -0.753 1.722 -2.420
44 HB3 CYS 5 1HB CYS 5 -0.852 0.021 -1.982
45 H CYS 6 H CYS 6 -2.029 2.674 0.056
46 HA CYS 6 HA CYS 6 -1.389 0.716 2.039
47 HB2 CYS 6 2HB CYS 6 -1.895 3.638 2.579
48 HB3 CYS 6 1HB CYS 6 -0.833 2.528 3.447
49 H LEU 7 H LEU 7 -4.285 2.079 0.982
50 HA LEU 7 HA LEU 7 -5.663 1.562 3.511
51 HB2 LEU 7 2HB LEU 7 -6.773 2.698 0.941
52 HB3 LEU 7 1HB LEU 7 -7.578 2.657 2.498
53 HG LEU 7 HG LEU 7 -5.069 4.235 1.929
54 HD11 LEU 7 1HD1 LEU 7 -6.519 6.201 1.932
55 HD12 LEU 7 2HD1 LEU 7 -7.935 5.158 2.081
56 HD13 LEU 7 3HD1 LEU 7 -6.940 5.092 0.625
57 HD21 LEU 7 3HD2 LEU 7 -5.345 3.594 4.272
58 HD22 LEU 7 1HD2 LEU 7 -6.972 4.275 4.270
59 HD23 LEU 7 2HD2 LEU 7 -5.575 5.329 4.052
60 H ILE 8 H ILE 8 -4.663 -0.109 0.935
61 HA ILE 8 HA ILE 8 -6.978 -1.936 0.977
62 HB ILE 8 HB ILE 8 -5.051 -1.577 -1.328
63 HG12 ILE 8 2HG1 ILE 8 -7.920 -0.632 -1.184
64 HG13 ILE 8 1HG1 ILE 8 -6.539 0.419 -0.890
65 HG21 ILE 8 1HG2 ILE 8 -6.003 -3.786 -1.257
66 HG22 ILE 8 2HG2 ILE 8 -6.755 -2.881 -2.570
67 HG23 ILE 8 3HG2 ILE 8 -7.625 -3.124 -1.056
68 HD11 ILE 8 3HD1 ILE 8 -7.114 -1.052 -3.451
69 HD12 ILE 8 1HD1 ILE 8 -5.745 0.019 -3.157
70 HD13 ILE 8 2HD1 ILE 8 -7.386 0.665 -3.154
71 HA PRO 9 HA PRO 9 -3.886 -4.492 3.056
72 HB2 PRO 9 2HB PRO 9 -6.072 -6.470 2.636
73 HB3 PRO 9 1HB PRO 9 -5.179 -6.072 4.108
74 HG2 PRO 9 2HG PRO 9 -7.668 -5.212 3.776
75 HG3 PRO 9 1HG PRO 9 -6.442 -4.164 4.515
76 HD2 PRO 9 2HD PRO 9 -7.568 -4.107 1.744
77 HD3 PRO 9 1HD PRO 9 -7.128 -2.758 2.811
78 H ALA 10 H ALA 10 -5.270 -4.914 -0.054
79 HA ALA 10 HA ALA 10 -3.732 -7.293 -0.677
80 HB1 ALA 10 1HB ALA 10 -5.460 -5.583 -2.464
81 HB2 ALA 10 2HB ALA 10 -5.985 -7.030 -1.603
82 HB3 ALA 10 3HB ALA 10 -4.771 -7.152 -2.876
83 H CYS 11 H CYS 11 -3.587 -3.819 -1.233
84 HA CYS 11 HA CYS 11 -1.288 -4.174 -3.011
85 HB2 CYS 11 2HB CYS 11 -3.235 -2.519 -3.462
86 HB3 CYS 11 1HB CYS 11 -2.454 -1.506 -2.253
87 H ARG 12 H ARG 12 -2.146 -2.962 0.166
88 HA ARG 12 HA ARG 12 0.317 -1.694 0.752
89 HB2 ARG 12 2HB ARG 12 -1.949 -1.566 1.999
90 HB3 ARG 12 1HB ARG 12 -1.397 -3.004 2.839
91 HG2 ARG 12 2HG ARG 12 0.628 -1.776 3.546
92 HG3 ARG 12 1HG ARG 12 -0.032 -0.322 2.796
93 HD2 ARG 12 2HD ARG 12 -1.961 -0.425 4.293
94 HD3 ARG 12 1HD ARG 12 -1.313 -1.888 5.035
95 HE ARG 12 HE ARG 12 0.693 -0.285 5.509
96 HH11 ARG 12 1HH1 ARG 12 -2.707 0.536 5.631
97 HH12 ARG 12 2HH1 ARG 12 -2.506 1.720 6.881
98 HH21 ARG 12 1HH2 ARG 12 0.976 1.297 7.123
99 HH22 ARG 12 2HH2 ARG 12 -0.403 2.159 7.732
100 H ARG 13 H ARG 13 -0.689 -4.952 0.664
101 HA ARG 13 HA ARG 13 1.074 -6.191 2.427
102 HB2 ARG 13 2HB ARG 13 -0.862 -7.203 1.104
103 HB3 ARG 13 1HB ARG 13 0.263 -7.341 -0.238
104 HG2 ARG 13 2HG ARG 13 1.675 -8.816 1.035
105 HG3 ARG 13 1HG ARG 13 0.671 -8.590 2.471
106 HD2 ARG 13 2HD ARG 13 -0.067 -9.954 -0.110
107 HD3 ARG 13 1HD ARG 13 0.047 -10.671 1.497
108 HE ARG 13 HE ARG 13 -1.849 -8.821 1.867
109 HH11 ARG 13 1HH1 ARG 13 -1.439 -11.217 -0.647
110 HH12 ARG 13 2HH1 ARG 13 -3.136 -11.390 -0.944
111 HH21 ARG 13 1HH2 ARG 13 -4.090 -9.034 1.482
112 HH22 ARG 13 2HH2 ARG 13 -4.653 -10.144 0.276
113 H ASN 14 H ASN 14 1.501 -5.356 -0.993
114 HA ASN 14 HA ASN 14 4.301 -6.180 -0.883
115 HB2 ASN 14 2HB ASN 14 2.737 -6.738 -2.828
116 HB3 ASN 14 1HB ASN 14 2.842 -5.038 -3.269
117 HD21 ASN 14 1HD2 ASN 14 3.785 -5.622 -5.252
118 HD22 ASN 14 2HD2 ASN 14 5.440 -6.107 -5.351
119 H HIS 15 H HIS 15 2.797 -3.637 0.203
120 HA HIS 15 HA HIS 15 4.940 -1.775 -0.571
121 HB2 HIS 15 2HB HIS 15 1.997 -1.108 -0.311
122 HB3 HIS 15 1HB HIS 15 3.275 0.092 -0.444
123 HD1 HIS 15 1HD HIS 15 4.657 -1.995 -2.711
124 HD2 HIS 15 2HD HIS 15 0.998 -0.021 -2.760
125 HE1 HIS 15 1HE HIS 15 4.010 -1.823 -5.134
126 HE2 HIS 15 2HE HIS 15 1.697 -0.829 -5.110
127 H LYS 16 H LYS 16 4.531 -3.577 1.672
128 HA LYS 16 HA LYS 16 3.630 -2.267 3.979
129 HB2 LYS 16 2HB LYS 16 5.240 -4.668 3.363
130 HB3 LYS 16 1HB LYS 16 5.455 -3.996 4.974
131 HG2 LYS 16 2HG LYS 16 2.724 -4.551 3.876
132 HG3 LYS 16 1HG LYS 16 3.688 -5.820 4.636
133 HD2 LYS 16 2HD LYS 16 2.992 -3.187 5.938
134 HD3 LYS 16 1HD LYS 16 2.110 -4.694 6.196
135 HE2 LYS 16 2HE LYS 16 4.060 -5.738 7.140
136 HE3 LYS 16 1HE LYS 16 5.056 -4.341 6.734
137 HZ1 LYS 16 3HZ LYS 16 3.779 -3.013 8.285
138 HZ2 LYS 16 1HZ LYS 16 4.433 -4.359 9.072
139 HZ3 LYS 16 2HZ LYS 16 2.794 -4.335 8.659
140 H LYS 17 H LYS 17 6.593 -1.974 2.240
141 HA LYS 17 HA LYS 17 8.058 -0.837 4.437
142 HB2 LYS 17 2HB LYS 17 8.611 -1.234 1.516
143 HB3 LYS 17 1HB LYS 17 9.655 -0.206 2.486
144 HG2 LYS 17 2HG LYS 17 10.121 -2.085 3.978
145 HG3 LYS 17 1HG LYS 17 9.068 -3.115 3.006
146 HD2 LYS 17 2HD LYS 17 10.520 -2.805 1.076
147 HD3 LYS 17 1HD LYS 17 11.556 -1.724 2.012
148 HE2 LYS 17 2HE LYS 17 12.095 -3.555 3.537
149 HE3 LYS 17 1HE LYS 17 11.044 -4.635 2.620
150 HZ1 LYS 17 3HZ LYS 17 13.495 -3.306 1.592
151 HZ2 LYS 17 1HZ LYS 17 12.479 -4.316 0.692
152 HZ3 LYS 17 2HZ LYS 17 13.349 -4.941 1.999
153 H PHE 18 H PHE 18 6.289 0.318 1.660
154 HA PHE 18 HA PHE 18 7.056 3.052 1.991
155 HB2 PHE 18 2HB PHE 18 4.758 1.840 0.435
156 HB3 PHE 18 1HB PHE 18 5.295 3.511 0.319
157 HD1 PHE 18 2HD PHE 18 7.532 4.017 -0.636
158 HD2 PHE 18 1HD PHE 18 5.846 0.111 -0.748
159 HE1 PHE 18 2HE PHE 18 9.121 3.387 -2.407
160 HE2 PHE 18 1HE PHE 18 7.429 -0.526 -2.520
161 HZ PHE 18 HZ PHE 18 9.070 1.113 -3.352
162 H CYS 19 H CYS 19 4.145 1.153 2.703
163 HA CYS 19 HA CYS 19 3.032 3.435 4.149
164 HB2 CYS 19 2HB CYS 19 1.614 0.810 3.880
165 HB3 CYS 19 1HB CYS 19 0.948 2.433 3.988
166 HN1 NH2 20 1H CYS 19 5.097 2.813 5.522
167 HN2 NH2 20 2H CYS 19 4.744 1.862 6.921
Start of MODEL 20
1 H1 PHE 1 1HT PHE 1 3.274 8.527 -5.647
2 H2 PHE 1 2HT PHE 1 2.979 7.783 -7.136
3 H3 PHE 1 3HT PHE 1 4.513 7.681 -6.431
4 HA PHE 1 HA PHE 1 3.270 5.618 -6.186
5 HB2 PHE 1 2HB PHE 1 4.942 6.183 -4.499
6 HB3 PHE 1 1HB PHE 1 3.775 7.177 -3.635
7 HD1 PHE 1 2HD PHE 1 4.383 3.675 -4.737
8 HD2 PHE 1 1HD PHE 1 2.525 6.262 -1.911
9 HE1 PHE 1 2HE PHE 1 3.723 1.726 -3.389
10 HE2 PHE 1 1HE PHE 1 1.862 4.316 -0.559
11 HZ PHE 1 HZ PHE 1 2.460 2.045 -1.299
12 H ASN 2 H ASN 2 1.411 4.545 -5.490
13 HA ASN 2 HA ASN 2 -0.934 6.245 -5.228
14 HB2 ASN 2 2HB ASN 2 -1.021 4.387 -6.831
15 HB3 ASN 2 1HB ASN 2 -0.695 3.240 -5.534
16 HD21 ASN 2 1HD2 ASN 2 -2.624 2.146 -5.971
17 HD22 ASN 2 2HD2 ASN 2 -4.159 2.793 -5.516
18 H TRP 3 H TRP 3 -0.920 7.011 -3.162
19 HA TRP 3 HA TRP 3 -0.253 5.558 -0.862
20 HB2 TRP 3 2HB TRP 3 -1.374 7.368 0.386
21 HB3 TRP 3 1HB TRP 3 -0.307 7.993 -0.865
22 HD1 TRP 3 HD TRP 3 -1.549 8.988 -3.114
23 HE1 TRP 3 1HE TRP 3 -3.843 10.129 -3.355
24 HE3 TRP 3 3HE TRP 3 -3.696 7.435 1.263
25 HZ2 TRP 3 2HZ TRP 3 -6.244 10.346 -1.884
26 HZ3 TRP 3 3HZ TRP 3 -5.992 8.158 1.771
27 HH2 TRP 3 HH TRP 3 -7.238 9.584 0.230
28 H ARG 4 H ARG 4 -3.108 5.587 -2.757
29 HA ARG 4 HA ARG 4 -4.970 4.768 -0.821
30 HB2 ARG 4 2HB ARG 4 -4.848 4.741 -3.779
31 HB3 ARG 4 1HB ARG 4 -6.004 3.660 -3.020
32 HG2 ARG 4 2HG ARG 4 -5.846 6.635 -2.573
33 HG3 ARG 4 1HG ARG 4 -6.998 5.819 -3.633
34 HD2 ARG 4 2HD ARG 4 -7.948 4.639 -1.740
35 HD3 ARG 4 1HD ARG 4 -6.748 5.352 -0.663
36 HE ARG 4 HE ARG 4 -8.238 7.354 -2.023
37 HH11 ARG 4 1HH1 ARG 4 -8.426 5.067 0.615
38 HH12 ARG 4 2HH1 ARG 4 -9.579 5.993 1.515
39 HH21 ARG 4 1HH2 ARG 4 -9.767 8.591 -0.843
40 HH22 ARG 4 2HH2 ARG 4 -10.345 8.007 0.682
41 H CYS 5 H CYS 5 -2.495 3.129 -2.452
42 HA CYS 5 HA CYS 5 -3.367 0.472 -2.270
43 HB2 CYS 5 2HB CYS 5 -0.722 1.822 -2.453
44 HB3 CYS 5 1HB CYS 5 -0.741 0.131 -1.965
45 H CYS 6 H CYS 6 -1.989 2.663 0.068
46 HA CYS 6 HA CYS 6 -1.377 0.660 2.024
47 HB2 CYS 6 2HB CYS 6 -1.896 3.560 2.655
48 HB3 CYS 6 1HB CYS 6 -0.791 2.436 3.445
49 H LEU 7 H LEU 7 -4.254 2.076 0.956
50 HA LEU 7 HA LEU 7 -5.664 1.521 3.451
51 HB2 LEU 7 2HB LEU 7 -6.449 2.901 0.897
52 HB3 LEU 7 1HB LEU 7 -7.658 2.393 2.058
53 HG LEU 7 HG LEU 7 -7.300 4.656 2.528
54 HD11 LEU 7 1HD1 LEU 7 -7.294 3.299 4.540
55 HD12 LEU 7 2HD1 LEU 7 -6.244 4.702 4.731
56 HD13 LEU 7 3HD1 LEU 7 -5.544 3.112 4.428
57 HD21 LEU 7 3HD2 LEU 7 -5.090 5.674 2.798
58 HD22 LEU 7 1HD2 LEU 7 -5.303 4.991 1.187
59 HD23 LEU 7 2HD2 LEU 7 -4.334 4.134 2.385
60 H ILE 8 H ILE 8 -4.714 -0.017 0.713
61 HA ILE 8 HA ILE 8 -6.964 -1.923 0.784
62 HB ILE 8 HB ILE 8 -4.997 -1.497 -1.476
63 HG12 ILE 8 2HG1 ILE 8 -7.911 -0.696 -1.403
64 HG13 ILE 8 1HG1 ILE 8 -6.595 0.422 -1.053
65 HG21 ILE 8 1HG2 ILE 8 -5.880 -3.760 -1.375
66 HG22 ILE 8 2HG2 ILE 8 -6.545 -2.900 -2.765
67 HG23 ILE 8 3HG2 ILE 8 -7.528 -3.131 -1.319
68 HD11 ILE 8 3HD1 ILE 8 -5.708 0.075 -3.300
69 HD12 ILE 8 1HD1 ILE 8 -7.372 0.658 -3.339
70 HD13 ILE 8 2HD1 ILE 8 -7.026 -1.045 -3.647
71 HA PRO 9 HA PRO 9 -3.932 -4.407 3.028
72 HB2 PRO 9 2HB PRO 9 -6.010 -6.418 2.276
73 HB3 PRO 9 1HB PRO 9 -5.210 -6.153 3.831
74 HG2 PRO 9 2HG PRO 9 -7.690 -5.289 3.433
75 HG3 PRO 9 1HG PRO 9 -6.525 -4.307 4.341
76 HD2 PRO 9 2HD PRO 9 -7.547 -3.954 1.565
77 HD3 PRO 9 1HD PRO 9 -7.066 -2.731 2.758
78 H ALA 10 H ALA 10 -5.342 -5.233 -0.100
79 HA ALA 10 HA ALA 10 -3.532 -7.336 -0.706
80 HB1 ALA 10 1HB ALA 10 -4.420 -7.198 -2.965
81 HB2 ALA 10 2HB ALA 10 -5.187 -5.656 -2.583
82 HB3 ALA 10 3HB ALA 10 -5.723 -7.131 -1.778
83 H CYS 11 H CYS 11 -3.496 -3.852 -1.314
84 HA CYS 11 HA CYS 11 -1.080 -4.119 -2.926
85 HB2 CYS 11 2HB CYS 11 -3.073 -2.458 -3.334
86 HB3 CYS 11 1HB CYS 11 -2.240 -1.469 -2.140
87 H ARG 12 H ARG 12 -2.116 -2.988 0.227
88 HA ARG 12 HA ARG 12 0.310 -1.758 1.008
89 HB2 ARG 12 2HB ARG 12 -1.959 -1.550 2.119
90 HB3 ARG 12 1HB ARG 12 -1.661 -3.114 2.841
91 HG2 ARG 12 2HG ARG 12 0.567 -1.958 3.634
92 HG3 ARG 12 1HG ARG 12 -0.396 -0.495 3.422
93 HD2 ARG 12 2HD ARG 12 -1.185 -2.876 5.098
94 HD3 ARG 12 1HD ARG 12 -0.505 -1.374 5.722
95 HE ARG 12 HE ARG 12 -2.622 -0.437 4.430
96 HH11 ARG 12 1HH1 ARG 12 -2.354 -3.190 6.575
97 HH12 ARG 12 2HH1 ARG 12 -3.995 -3.086 7.123
98 HH21 ARG 12 1HH2 ARG 12 -4.769 -0.286 5.138
99 HH22 ARG 12 2HH2 ARG 12 -5.381 -1.420 6.299
100 H ARG 13 H ARG 13 -0.768 -5.018 0.854
101 HA ARG 13 HA ARG 13 0.985 -6.271 2.632
102 HB2 ARG 13 2HB ARG 13 -0.978 -7.315 1.449
103 HB3 ARG 13 1HB ARG 13 0.015 -7.398 0.001
104 HG2 ARG 13 2HG ARG 13 0.132 -9.530 0.944
105 HG3 ARG 13 1HG ARG 13 1.653 -8.755 1.392
106 HD2 ARG 13 2HD ARG 13 0.883 -8.344 3.605
107 HD3 ARG 13 1HD ARG 13 -0.765 -8.805 3.183
108 HE ARG 13 HE ARG 13 0.976 -10.968 2.703
109 HH11 ARG 13 1HH1 ARG 13 -0.470 -9.188 5.340
110 HH12 ARG 13 2HH1 ARG 13 -0.452 -10.529 6.437
111 HH21 ARG 13 1HH2 ARG 13 1.005 -12.756 4.144
112 HH22 ARG 13 2HH2 ARG 13 0.392 -12.566 5.752
113 H ASN 14 H ASN 14 1.402 -5.338 -0.731
114 HA ASN 14 HA ASN 14 4.114 -6.387 -0.797
115 HB2 ASN 14 2HB ASN 14 2.976 -6.787 -2.816
116 HB3 ASN 14 1HB ASN 14 2.256 -5.183 -2.835
117 HD21 ASN 14 1HD2 ASN 14 5.128 -7.046 -3.471
118 HD22 ASN 14 2HD2 ASN 14 5.934 -5.847 -4.417
119 H HIS 15 H HIS 15 2.444 -3.400 -0.335
120 HA HIS 15 HA HIS 15 4.966 -1.909 -0.629
121 HB2 HIS 15 2HB HIS 15 2.104 -0.943 -0.679
122 HB3 HIS 15 1HB HIS 15 3.501 0.128 -0.687
123 HD1 HIS 15 1HD HIS 15 5.180 -0.292 -2.818
124 HD2 HIS 15 2HD HIS 15 1.297 -1.728 -3.144
125 HE1 HIS 15 1HE HIS 15 4.809 -0.674 -5.273
126 HE2 HIS 15 2HE HIS 15 2.527 -1.728 -5.417
127 H LYS 16 H LYS 16 4.338 -3.531 1.653
128 HA LYS 16 HA LYS 16 3.441 -1.976 3.835
129 HB2 LYS 16 2HB LYS 16 4.541 -3.757 5.219
130 HB3 LYS 16 1HB LYS 16 3.408 -4.363 4.019
131 HG2 LYS 16 2HG LYS 16 5.241 -4.976 2.557
132 HG3 LYS 16 1HG LYS 16 6.402 -4.299 3.699
133 HD2 LYS 16 2HD LYS 16 5.723 -5.939 5.374
134 HD3 LYS 16 1HD LYS 16 4.533 -6.603 4.252
135 HE2 LYS 16 2HE LYS 16 6.289 -7.278 2.733
136 HE3 LYS 16 1HE LYS 16 7.506 -6.515 3.755
137 HZ1 LYS 16 3HZ LYS 16 5.801 -8.822 4.515
138 HZ2 LYS 16 1HZ LYS 16 6.949 -8.083 5.514
139 HZ3 LYS 16 2HZ LYS 16 7.442 -8.893 4.113
140 H LYS 17 H LYS 17 6.409 -2.067 2.147
141 HA LYS 17 HA LYS 17 8.014 -1.043 4.306
142 HB2 LYS 17 2HB LYS 17 8.451 -1.857 1.506
143 HB3 LYS 17 1HB LYS 17 9.497 -0.572 2.089
144 HG2 LYS 17 2HG LYS 17 10.064 -2.064 4.035
145 HG3 LYS 17 1HG LYS 17 9.209 -3.355 3.188
146 HD2 LYS 17 2HD LYS 17 11.551 -3.550 2.702
147 HD3 LYS 17 1HD LYS 17 10.726 -2.994 1.243
148 HE2 LYS 17 2HE LYS 17 11.399 -0.691 1.754
149 HE3 LYS 17 1HE LYS 17 12.237 -1.259 3.198
150 HZ1 LYS 17 3HZ LYS 17 13.757 -0.932 1.345
151 HZ2 LYS 17 1HZ LYS 17 12.889 -2.043 0.407
152 HZ3 LYS 17 2HZ LYS 17 13.705 -2.561 1.796
153 H PHE 18 H PHE 18 6.075 0.226 1.779
154 HA PHE 18 HA PHE 18 7.229 2.886 1.998
155 HB2 PHE 18 2HB PHE 18 6.242 1.646 -0.151
156 HB3 PHE 18 1HB PHE 18 4.748 2.378 0.424
157 HD1 PHE 18 1HD PHE 18 4.824 4.924 0.899
158 HD2 PHE 18 2HD PHE 18 7.684 2.858 -1.481
159 HE1 PHE 18 1HE PHE 18 5.457 7.045 -0.177
160 HE2 PHE 18 2HE PHE 18 8.322 4.975 -2.559
161 HZ PHE 18 HZ PHE 18 7.208 7.073 -1.909
162 H CYS 19 H CYS 19 4.218 1.171 2.682
163 HA CYS 19 HA CYS 19 3.121 3.540 3.980
164 HB2 CYS 19 2HB CYS 19 1.749 0.867 3.828
165 HB3 CYS 19 1HB CYS 19 1.034 2.466 3.964
166 HN1 NH2 20 1H CYS 19 5.080 3.169 5.477
167 HN2 NH2 20 2H CYS 19 4.762 2.249 6.906