NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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555794 |
2loc   |
18206 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 1HT VAL 1 10.408 3.546 -0.149
2 H2 VAL 1 2HT VAL 1 10.800 2.884 1.365
3 H3 VAL 1 3HT VAL 1 9.566 4.038 1.227
4 HA VAL 1 HA VAL 1 8.819 2.038 -0.516
5 HB VAL 1 HB VAL 1 9.781 0.933 2.155
6 HG11 VAL 1 2HG1 VAL 1 9.347 -1.226 0.621
7 HG12 VAL 1 3HG1 VAL 1 8.169 -0.140 -0.114
8 HG13 VAL 1 1HG1 VAL 1 8.072 -0.510 1.608
9 HG21 VAL 1 1HG2 VAL 1 10.948 -0.229 -0.259
10 HG22 VAL 1 2HG2 VAL 1 11.754 0.393 1.178
11 HG23 VAL 1 3HG2 VAL 1 11.314 1.492 -0.126
12 H DAL 2 H ALA 2 6.644 1.331 0.096
13 HA DAL 2 HA ALA 2 5.500 2.652 2.520
14 HB1 DAL 2 1HB ALA 2 4.039 0.866 2.616
15 HB2 DAL 2 2HB ALA 2 5.405 0.086 1.823
16 HB3 DAL 2 3HB ALA 2 4.028 0.643 0.876
17 H GLU 3 H GLU 3 5.726 3.165 -0.802
18 HA GLU 3 HA GLU 3 3.610 5.183 -0.726
19 HB2 GLU 3 2HB GLU 3 4.563 5.808 -2.878
20 HB3 GLU 3 1HB GLU 3 5.873 5.466 -1.753
21 HG2 GLU 3 2HG GLU 3 6.053 3.164 -2.700
22 HG3 GLU 3 1HG GLU 3 4.792 3.571 -3.862
23 H ARG 4 H ARG 4 4.110 2.104 -2.433
24 HA ARG 4 HA ARG 4 2.225 2.110 -4.425
25 HB2 ARG 4 2HB ARG 4 2.755 -0.091 -2.421
26 HB3 ARG 4 1HB ARG 4 1.924 -0.326 -3.950
27 HG2 ARG 4 2HG ARG 4 4.635 0.976 -3.902
28 HG3 ARG 4 1HG ARG 4 4.483 -0.777 -3.829
29 HD2 ARG 4 2HD ARG 4 3.269 -0.837 -5.928
30 HD3 ARG 4 1HD ARG 4 3.198 0.934 -5.980
31 HE ARG 4 HE ARG 4 5.568 -0.715 -6.537
32 HH11 ARG 4 1HH2 ARG 4 4.279 2.430 -5.691
33 HH12 ARG 4 2HH2 ARG 4 5.708 3.284 -6.166
34 HH21 ARG 4 1HH1 ARG 4 7.428 0.396 -7.147
35 HH22 ARG 4 2HH1 ARG 4 7.495 2.122 -7.012
36 H CYS 5 H CYS 5 1.356 1.291 -1.018
37 HA CYS 5 HA CYS 5 -1.384 0.819 -1.454
38 HB2 CYS 5 2HB CYS 5 0.026 0.493 0.626
39 HB3 CYS 5 1HB CYS 5 -0.233 2.202 0.965
40 H CYS 6 H CYS 6 -0.376 3.852 0.151
41 HA CYS 6 HA CYS 6 -2.755 5.255 -0.449
42 HB2 CYS 6 2HB CYS 6 -0.012 5.852 0.490
43 HB3 CYS 6 1HB CYS 6 -0.886 7.225 -0.187
44 H LYS 7 H LYS 7 0.173 4.866 -2.425
45 HA LYS 7 HA LYS 7 -0.410 6.955 -4.335
46 HB2 LYS 7 2HB LYS 7 1.204 4.400 -4.318
47 HB3 LYS 7 1HB LYS 7 1.084 5.381 -5.774
48 HG2 LYS 7 2HG LYS 7 1.754 6.839 -3.279
49 HG3 LYS 7 1HG LYS 7 2.994 5.751 -3.905
50 HD2 LYS 7 2HD LYS 7 1.591 7.627 -5.777
51 HD3 LYS 7 1HD LYS 7 2.901 8.231 -4.762
52 HE2 LYS 7 2HE LYS 7 3.363 5.670 -6.271
53 HE3 LYS 7 1HE LYS 7 3.431 7.199 -7.167
54 HZ1 LYS 7 3HZ LYS 7 5.314 7.789 -6.144
55 HZ2 LYS 7 1HZ LYS 7 5.441 6.175 -5.627
56 HZ3 LYS 7 2HZ LYS 7 4.740 7.345 -4.613
57 H ASN 8 H ASN 8 -0.942 3.425 -4.443
58 HA ASN 8 HA ASN 8 -2.510 3.627 -6.904
59 HB2 ASN 8 2HB ASN 8 -1.386 1.567 -5.099
60 HB3 ASN 8 1HB ASN 8 -2.796 1.093 -6.023
61 HD21 ASN 8 1HD2 ASN 8 0.521 1.158 -6.198
62 HD22 ASN 8 2HD2 ASN 8 0.707 1.181 -7.883
63 H GLY 9 H GLY 9 -3.271 4.004 -3.613
64 HA2 GLY 9 2HA GLY 9 -5.310 4.033 -2.443
65 HA3 GLY 9 1HA GLY 9 -6.028 4.415 -4.009
66 H LYS 10 H LYS 10 -7.381 2.958 -4.840
67 HA LYS 10 HA LYS 10 -8.127 0.557 -3.523
68 HB2 LYS 10 2HB LYS 10 -8.674 1.967 -6.046
69 HB3 LYS 10 1HB LYS 10 -8.876 0.220 -6.161
70 HG2 LYS 10 2HG LYS 10 -10.962 0.734 -5.368
71 HG3 LYS 10 1HG LYS 10 -10.128 0.620 -3.822
72 HD2 LYS 10 2HD LYS 10 -9.607 3.139 -4.157
73 HD3 LYS 10 1HD LYS 10 -10.894 3.095 -5.361
74 HE2 LYS 10 2HE LYS 10 -11.179 2.272 -2.442
75 HE3 LYS 10 1HE LYS 10 -11.816 3.757 -3.171
76 HZ1 LYS 10 3HZ LYS 10 -12.567 0.957 -3.840
77 HZ2 LYS 10 1HZ LYS 10 -12.988 2.281 -4.810
78 HZ3 LYS 10 2HZ LYS 10 -13.567 2.177 -3.222
79 H ARG 11 H ARG 11 -5.648 1.173 -5.894
80 HA ARG 11 HA ARG 11 -5.199 -1.704 -6.433
81 HB2 ARG 11 2HB ARG 11 -3.588 0.731 -7.267
82 HB3 ARG 11 1HB ARG 11 -3.500 -0.872 -7.974
83 HG2 ARG 11 2HG ARG 11 -5.577 -0.678 -9.027
84 HG3 ARG 11 1HG ARG 11 -6.135 0.573 -7.913
85 HD2 ARG 11 2HD ARG 11 -3.801 1.040 -9.785
86 HD3 ARG 11 1HD ARG 11 -5.476 1.387 -10.259
87 HE ARG 11 HE ARG 11 -5.251 2.600 -7.773
88 HH11 ARG 11 1HH2 ARG 11 -3.419 2.702 -10.730
89 HH12 ARG 11 2HH2 ARG 11 -2.920 4.343 -10.519
90 HH21 ARG 11 1HH1 ARG 11 -4.608 4.755 -7.494
91 HH22 ARG 11 2HH1 ARG 11 -3.590 5.510 -8.675
92 H GLY 12 H GLY 12 -4.091 0.677 -4.235
93 HA2 GLY 12 2HA GLY 12 -1.535 -0.679 -3.704
94 HA3 GLY 12 1HA GLY 12 -2.102 0.803 -2.942
95 H CYS 13 H CYS 13 -4.778 -0.579 -2.338
96 HA CYS 13 HA CYS 13 -4.127 -1.440 0.321
97 HB2 CYS 13 2HB CYS 13 -6.343 -0.602 -0.898
98 HB3 CYS 13 1HB CYS 13 -6.620 -2.337 -1.083
99 H GLY 14 H GLY 14 -3.326 -3.420 0.969
100 HA2 GLY 14 2HA GLY 14 -4.192 -5.949 0.078
101 HA3 GLY 14 1HA GLY 14 -2.770 -5.542 -0.882
102 H ARG 15 H ARG 15 -2.480 -7.701 0.674
103 HA ARG 15 HA ARG 15 -1.768 -7.554 3.372
104 HB2 ARG 15 2HB ARG 15 -0.230 -9.460 2.795
105 HB3 ARG 15 1HB ARG 15 -1.841 -9.625 2.099
106 HG2 ARG 15 2HG ARG 15 -1.015 -8.777 -0.061
107 HG3 ARG 15 1HG ARG 15 0.589 -8.544 0.626
108 HD2 ARG 15 2HD ARG 15 0.342 -10.687 -0.702
109 HD3 ARG 15 1HD ARG 15 0.850 -10.938 0.970
110 HE ARG 15 HE ARG 15 -1.932 -11.361 -0.052
111 HH11 ARG 15 1HH2 ARG 15 0.492 -11.641 2.428
112 HH12 ARG 15 2HH2 ARG 15 -0.414 -12.766 3.363
113 HH21 ARG 15 1HH1 ARG 15 -3.120 -12.853 1.195
114 HH22 ARG 15 2HH1 ARG 15 -2.455 -13.457 2.671
115 H TRP 16 H TRP 16 0.283 -6.640 0.579
116 HA TRP 16 HA TRP 16 2.679 -6.144 2.123
117 HB2 TRP 16 2HB TRP 16 2.511 -6.454 -0.368
118 HB3 TRP 16 1HB TRP 16 1.725 -4.877 -0.471
119 HD1 TRP 16 HD TRP 16 5.046 -6.495 0.514
120 HE1 TRP 16 1HE TRP 16 6.888 -4.726 0.354
121 HE3 TRP 16 3HE TRP 16 2.223 -2.350 -0.474
122 HZ2 TRP 16 2HZ TRP 16 7.155 -1.927 -0.149
123 HZ3 TRP 16 3HZ TRP 16 3.315 -0.156 -0.799
124 HH2 TRP 16 HH TRP 16 5.767 0.050 -0.642
125 H CYS 17 H CYS 17 0.256 -3.890 0.756
126 HA CYS 17 HA CYS 17 1.158 -1.517 2.022
127 HB2 CYS 17 2HB CYS 17 -0.477 -1.154 0.421
128 HB3 CYS 17 1HB CYS 17 -1.367 -2.596 0.857
129 H ARG 18 H ARG 18 -1.294 -3.893 3.059
130 HA ARG 18 HA ARG 18 -2.141 -2.894 5.506
131 HB2 ARG 18 2HB ARG 18 -2.035 -5.377 4.134
132 HB3 ARG 18 1HB ARG 18 -1.507 -5.687 5.784
133 HG2 ARG 18 2HG ARG 18 -3.524 -4.474 6.615
134 HG3 ARG 18 1HG ARG 18 -4.066 -4.301 4.948
135 HD2 ARG 18 2HD ARG 18 -5.147 -6.258 6.002
136 HD3 ARG 18 1HD ARG 18 -4.052 -6.788 4.710
137 HE ARG 18 HE ARG 18 -2.577 -7.663 6.352
138 HH11 ARG 18 1HH2 ARG 18 -5.045 -5.659 7.785
139 HH12 ARG 18 2HH2 ARG 18 -4.628 -6.089 9.405
140 HH21 ARG 18 1HH1 ARG 18 -2.015 -8.197 8.472
141 HH22 ARG 18 2HH1 ARG 18 -2.905 -7.523 9.796
142 H ASP 19 H ASP 19 0.946 -4.549 4.856
143 HA ASP 19 HA ASP 19 1.812 -4.241 7.682
144 HB2 ASP 19 2HB ASP 19 2.063 -6.355 6.361
145 HB3 ASP 19 1HB ASP 19 3.149 -5.495 5.270
146 H HIS 20 H HIS 20 2.894 -3.261 4.408
147 HA HIS 20 HA HIS 20 5.094 -1.642 5.550
148 HB2 HIS 20 2HB HIS 20 4.140 -2.390 2.785
149 HB3 HIS 20 1HB HIS 20 5.508 -1.310 3.048
150 HD1 HIS 20 1HD HIS 20 7.541 -2.363 4.493
151 HD2 HIS 20 2HD HIS 20 4.737 -5.089 3.052
152 HE1 HIS 20 1HE HIS 20 8.615 -4.651 4.649
153 H SER 21 H SER 21 1.860 -1.049 4.362
154 HA SER 21 HA SER 21 2.482 1.848 3.965
155 HB2 SER 21 2HB SER 21 0.223 0.014 3.144
156 HB3 SER 21 1HB SER 21 0.217 1.733 2.819
157 HG SER 21 HG SER 21 2.195 1.435 1.692
158 H ARG 22 H ARG 22 1.208 3.452 5.010
159 HA ARG 22 HA ARG 22 0.176 2.743 7.665
160 HB2 ARG 22 2HB ARG 22 0.109 5.357 6.109
161 HB3 ARG 22 1HB ARG 22 -0.116 5.173 7.847
162 HG2 ARG 22 2HG ARG 22 2.393 4.018 6.736
163 HG3 ARG 22 1HG ARG 22 2.286 5.777 6.741
164 HD2 ARG 22 2HD ARG 22 1.467 4.335 9.242
165 HD3 ARG 22 1HD ARG 22 3.199 4.470 8.885
166 HE ARG 22 HE ARG 22 1.948 7.010 8.435
167 HH11 ARG 22 1HH2 ARG 22 2.830 4.794 10.965
168 HH12 ARG 22 2HH2 ARG 22 3.083 6.034 12.144
169 HH21 ARG 22 1HH1 ARG 22 2.284 8.640 9.976
170 HH22 ARG 22 2HH1 ARG 22 2.764 8.219 11.583
171 H CYS 23 H CYS 23 -1.223 4.114 4.662
172 HA CYS 23 HA CYS 23 -3.958 3.950 5.654
173 HB2 CYS 23 2HB CYS 23 -4.387 4.275 3.093
174 HB3 CYS 23 1HB CYS 23 -3.632 5.583 3.994
175 H CYS 24 H CYS 24 -5.534 2.365 5.072
176 HA CYS 24 HA CYS 24 -6.340 0.230 4.464
177 HB2 CYS 24 2HB CYS 24 -4.173 0.847 2.584
178 HB3 CYS 24 1HB CYS 24 -4.454 -0.877 2.794
179 HN1 NH2 25 2H CYS 24 -2.807 -1.240 6.012
180 HN2 NH2 25 1H CYS 24 -2.734 0.056 4.923
Start of MODEL 2
1 H1 VAL 1 1HT VAL 1 10.025 3.751 -0.079
2 H2 VAL 1 2HT VAL 1 10.820 2.681 0.967
3 H3 VAL 1 3HT VAL 1 9.585 3.687 1.549
4 HA VAL 1 HA VAL 1 8.659 2.098 -0.636
5 HB VAL 1 HB VAL 1 9.877 0.772 1.817
6 HG11 VAL 1 2HG1 VAL 1 7.689 -0.240 1.288
7 HG12 VAL 1 3HG1 VAL 1 9.004 -1.346 0.896
8 HG13 VAL 1 1HG1 VAL 1 8.193 -0.453 -0.387
9 HG21 VAL 1 1HG2 VAL 1 10.701 -0.565 -0.470
10 HG22 VAL 1 2HG2 VAL 1 11.659 0.624 0.417
11 HG23 VAL 1 3HG2 VAL 1 10.698 1.121 -0.979
12 H DAL 2 H ALA 2 6.503 1.261 -0.009
13 HA DAL 2 HA ALA 2 5.452 2.317 2.577
14 HB1 DAL 2 1HB ALA 2 5.293 -0.156 1.481
15 HB2 DAL 2 2HB ALA 2 3.822 0.560 0.833
16 HB3 DAL 2 3HB ALA 2 4.069 0.491 2.572
17 H GLU 3 H GLU 3 5.560 3.162 -0.683
18 HA GLU 3 HA GLU 3 3.372 5.100 -0.321
19 HB2 GLU 3 2HB GLU 3 4.329 6.077 -2.344
20 HB3 GLU 3 1HB GLU 3 5.620 5.670 -1.220
21 HG2 GLU 3 2HG GLU 3 6.141 3.646 -2.453
22 HG3 GLU 3 1HG GLU 3 4.749 3.884 -3.512
23 H ARG 4 H ARG 4 4.087 2.290 -2.359
24 HA ARG 4 HA ARG 4 2.245 2.414 -4.401
25 HB2 ARG 4 2HB ARG 4 2.851 0.053 -2.600
26 HB3 ARG 4 1HB ARG 4 2.096 -0.076 -4.179
27 HG2 ARG 4 2HG ARG 4 4.859 1.042 -3.601
28 HG3 ARG 4 1HG ARG 4 4.509 -0.516 -4.346
29 HD2 ARG 4 2HD ARG 4 3.302 0.691 -6.193
30 HD3 ARG 4 1HD ARG 4 3.874 2.212 -5.500
31 HE ARG 4 HE ARG 4 5.659 0.047 -6.541
32 HH11 ARG 4 1HH2 ARG 4 5.124 3.361 -5.532
33 HH12 ARG 4 2HH2 ARG 4 6.681 3.892 -6.050
34 HH21 ARG 4 1HH1 ARG 4 7.686 0.764 -7.207
35 HH22 ARG 4 2HH1 ARG 4 8.130 2.427 -7.000
36 H CYS 5 H CYS 5 1.465 1.499 -1.033
37 HA CYS 5 HA CYS 5 -1.274 0.836 -1.456
38 HB2 CYS 5 2HB CYS 5 0.072 0.384 0.585
39 HB3 CYS 5 1HB CYS 5 0.072 2.111 0.937
40 H CYS 6 H CYS 6 -0.213 3.846 0.187
41 HA CYS 6 HA CYS 6 -2.634 5.268 -0.231
42 HB2 CYS 6 2HB CYS 6 0.094 5.751 0.695
43 HB3 CYS 6 1HB CYS 6 -0.573 7.164 -0.126
44 H LYS 7 H LYS 7 0.197 4.891 -2.342
45 HA LYS 7 HA LYS 7 -0.456 6.980 -4.215
46 HB2 LYS 7 2HB LYS 7 1.152 4.423 -4.278
47 HB3 LYS 7 1HB LYS 7 0.975 5.412 -5.726
48 HG2 LYS 7 2HG LYS 7 1.812 6.743 -3.174
49 HG3 LYS 7 1HG LYS 7 3.003 5.799 -4.074
50 HD2 LYS 7 2HD LYS 7 1.293 7.961 -5.349
51 HD3 LYS 7 1HD LYS 7 2.906 8.259 -4.696
52 HE2 LYS 7 2HE LYS 7 2.732 5.932 -6.540
53 HE3 LYS 7 1HE LYS 7 2.459 7.518 -7.292
54 HZ1 LYS 7 3HZ LYS 7 4.785 6.711 -5.599
55 HZ2 LYS 7 1HZ LYS 7 4.480 8.305 -6.111
56 HZ3 LYS 7 2HZ LYS 7 4.796 7.103 -7.255
57 H ASN 8 H ASN 8 -0.862 3.435 -4.540
58 HA ASN 8 HA ASN 8 -2.594 3.704 -6.863
59 HB2 ASN 8 2HB ASN 8 -1.311 1.619 -5.228
60 HB3 ASN 8 1HB ASN 8 -2.818 1.126 -5.979
61 HD21 ASN 8 1HD2 ASN 8 0.460 1.318 -6.516
62 HD22 ASN 8 2HD2 ASN 8 0.466 1.333 -8.215
63 H GLY 9 H GLY 9 -3.242 3.891 -3.512
64 HA2 GLY 9 2HA GLY 9 -5.260 3.873 -2.307
65 HA3 GLY 9 1HA GLY 9 -6.024 4.288 -3.839
66 H LYS 10 H LYS 10 -7.359 2.836 -4.705
67 HA LYS 10 HA LYS 10 -8.063 0.391 -3.439
68 HB2 LYS 10 2HB LYS 10 -8.448 1.467 -6.245
69 HB3 LYS 10 1HB LYS 10 -9.212 -0.017 -5.684
70 HG2 LYS 10 2HG LYS 10 -9.699 1.929 -3.689
71 HG3 LYS 10 1HG LYS 10 -10.045 2.704 -5.231
72 HD2 LYS 10 2HD LYS 10 -11.374 0.598 -5.824
73 HD3 LYS 10 1HD LYS 10 -11.258 0.171 -4.120
74 HE2 LYS 10 2HE LYS 10 -12.456 2.752 -5.203
75 HE3 LYS 10 1HE LYS 10 -13.370 1.382 -4.546
76 HZ1 LYS 10 3HZ LYS 10 -11.537 1.805 -2.619
77 HZ2 LYS 10 1HZ LYS 10 -13.100 2.440 -2.599
78 HZ3 LYS 10 2HZ LYS 10 -11.811 3.393 -3.157
79 H ARG 11 H ARG 11 -5.636 1.095 -5.864
80 HA ARG 11 HA ARG 11 -5.214 -1.752 -6.521
81 HB2 ARG 11 2HB ARG 11 -3.710 0.793 -7.221
82 HB3 ARG 11 1HB ARG 11 -3.329 -0.797 -7.878
83 HG2 ARG 11 2HG ARG 11 -5.508 -0.961 -8.920
84 HG3 ARG 11 1HG ARG 11 -6.042 0.526 -8.130
85 HD2 ARG 11 2HD ARG 11 -3.541 0.835 -9.675
86 HD3 ARG 11 1HD ARG 11 -4.960 0.441 -10.668
87 HE ARG 11 HE ARG 11 -5.958 2.363 -8.979
88 HH11 ARG 11 1HH2 ARG 11 -3.061 2.183 -10.900
89 HH12 ARG 11 2HH2 ARG 11 -3.003 3.881 -11.215
90 HH21 ARG 11 1HH1 ARG 11 -5.866 4.598 -9.366
91 HH22 ARG 11 2HH1 ARG 11 -4.595 5.253 -10.340
92 H GLY 12 H GLY 12 -4.038 0.470 -4.164
93 HA2 GLY 12 2HA GLY 12 -1.751 -1.356 -3.561
94 HA3 GLY 12 1HA GLY 12 -1.830 0.335 -3.074
95 H CYS 13 H CYS 13 -4.645 -1.745 -2.783
96 HA CYS 13 HA CYS 13 -4.480 -1.420 0.180
97 HB2 CYS 13 2HB CYS 13 -6.447 -0.798 -1.499
98 HB3 CYS 13 1HB CYS 13 -6.858 -2.498 -1.287
99 H GLY 14 H GLY 14 -2.749 -3.388 -0.801
100 HA2 GLY 14 2HA GLY 14 -4.173 -5.963 -0.270
101 HA3 GLY 14 1HA GLY 14 -2.645 -5.828 -1.142
102 H ARG 15 H ARG 15 -2.427 -7.609 0.731
103 HA ARG 15 HA ARG 15 -2.015 -6.958 3.442
104 HB2 ARG 15 2HB ARG 15 -0.390 -8.822 1.671
105 HB3 ARG 15 1HB ARG 15 -0.536 -8.935 3.424
106 HG2 ARG 15 2HG ARG 15 -3.157 -8.936 2.750
107 HG3 ARG 15 1HG ARG 15 -2.473 -9.688 1.308
108 HD2 ARG 15 2HD ARG 15 -1.871 -10.607 4.144
109 HD3 ARG 15 1HD ARG 15 -3.072 -11.369 3.080
110 HE ARG 15 HE ARG 15 -0.856 -11.312 1.474
111 HH11 ARG 15 1HH2 ARG 15 -1.363 -12.332 4.762
112 HH12 ARG 15 2HH2 ARG 15 -0.149 -13.561 4.704
113 HH21 ARG 15 1HH1 ARG 15 0.757 -12.911 1.406
114 HH22 ARG 15 2HH1 ARG 15 1.056 -13.892 2.805
115 H TRP 16 H TRP 16 0.370 -6.824 0.768
116 HA TRP 16 HA TRP 16 2.665 -6.007 2.132
117 HB2 TRP 16 2HB TRP 16 2.369 -6.489 -0.311
118 HB3 TRP 16 1HB TRP 16 1.598 -4.909 -0.485
119 HD1 TRP 16 HD TRP 16 4.957 -6.528 0.357
120 HE1 TRP 16 1HE TRP 16 6.804 -4.777 0.060
121 HE3 TRP 16 3HE TRP 16 2.117 -2.387 -0.561
122 HZ2 TRP 16 2HZ TRP 16 7.063 -1.987 -0.491
123 HZ3 TRP 16 3HZ TRP 16 3.198 -0.197 -0.968
124 HH2 TRP 16 HH TRP 16 5.659 0.004 -0.938
125 H CYS 17 H CYS 17 0.062 -3.898 0.873
126 HA CYS 17 HA CYS 17 1.098 -1.422 1.835
127 HB2 CYS 17 2HB CYS 17 -0.639 -1.135 0.332
128 HB3 CYS 17 1HB CYS 17 -1.479 -2.564 0.888
129 H ARG 18 H ARG 18 -1.261 -3.704 3.224
130 HA ARG 18 HA ARG 18 -1.871 -2.334 5.624
131 HB2 ARG 18 2HB ARG 18 -2.484 -4.738 4.425
132 HB3 ARG 18 1HB ARG 18 -1.563 -5.263 5.838
133 HG2 ARG 18 2HG ARG 18 -3.125 -4.467 7.331
134 HG3 ARG 18 1HG ARG 18 -3.616 -3.140 6.275
135 HD2 ARG 18 2HD ARG 18 -4.204 -5.932 5.362
136 HD3 ARG 18 1HD ARG 18 -5.218 -5.238 6.641
137 HE ARG 18 HE ARG 18 -4.961 -3.222 4.673
138 HH11 ARG 18 1HH2 ARG 18 -6.245 -6.445 4.979
139 HH12 ARG 18 2HH2 ARG 18 -7.455 -6.215 3.759
140 HH21 ARG 18 1HH1 ARG 18 -6.548 -2.922 3.087
141 HH22 ARG 18 2HH1 ARG 18 -7.633 -4.213 2.691
142 H ASP 19 H ASP 19 0.952 -4.389 4.851
143 HA ASP 19 HA ASP 19 1.950 -4.159 7.639
144 HB2 ASP 19 2HB ASP 19 1.986 -6.293 6.363
145 HB3 ASP 19 1HB ASP 19 3.075 -5.555 5.190
146 H HIS 20 H HIS 20 3.042 -3.280 4.338
147 HA HIS 20 HA HIS 20 5.377 -1.823 5.405
148 HB2 HIS 20 2HB HIS 20 4.265 -2.580 2.717
149 HB3 HIS 20 1HB HIS 20 5.447 -1.280 2.803
150 HD1 HIS 20 1HD HIS 20 7.839 -1.894 3.773
151 HD2 HIS 20 2HD HIS 20 5.303 -5.149 3.168
152 HE1 HIS 20 1HE HIS 20 9.297 -3.962 3.864
153 H SER 21 H SER 21 2.112 -1.043 4.414
154 HA SER 21 HA SER 21 2.829 1.863 4.293
155 HB2 SER 21 2HB SER 21 1.524 0.283 2.491
156 HB3 SER 21 1HB SER 21 0.163 0.876 3.439
157 HG SER 21 HG SER 21 2.203 2.523 2.306
158 H ARG 22 H ARG 22 1.211 3.362 5.177
159 HA ARG 22 HA ARG 22 0.047 2.375 7.737
160 HB2 ARG 22 2HB ARG 22 0.534 5.155 6.599
161 HB3 ARG 22 1HB ARG 22 -0.072 4.825 8.222
162 HG2 ARG 22 2HG ARG 22 2.539 3.656 7.241
163 HG3 ARG 22 1HG ARG 22 2.464 5.251 7.985
164 HD2 ARG 22 2HD ARG 22 1.320 2.787 9.348
165 HD3 ARG 22 1HD ARG 22 2.988 3.336 9.596
166 HE ARG 22 HE ARG 22 2.153 5.411 10.533
167 HH11 ARG 22 1HH2 ARG 22 -0.341 3.117 9.711
168 HH12 ARG 22 2HH2 ARG 22 -1.536 3.876 10.696
169 HH21 ARG 22 1HH1 ARG 22 0.583 6.391 11.836
170 HH22 ARG 22 2HH1 ARG 22 -1.020 5.739 11.898
171 H CYS 23 H CYS 23 -0.895 3.193 4.528
172 HA CYS 23 HA CYS 23 -3.649 3.986 5.281
173 HB2 CYS 23 2HB CYS 23 -2.886 3.441 2.452
174 HB3 CYS 23 1HB CYS 23 -3.759 4.810 3.125
175 H CYS 24 H CYS 24 -5.428 2.800 3.932
176 HA CYS 24 HA CYS 24 -6.654 0.787 3.702
177 HB2 CYS 24 2HB CYS 24 -4.199 0.819 2.109
178 HB3 CYS 24 1HB CYS 24 -4.834 -0.808 2.362
179 HN1 NH2 25 2H CYS 24 -4.971 -0.743 6.736
180 HN2 NH2 25 1H CYS 24 -5.396 0.848 6.323
Start of MODEL 3
1 H1 VAL 1 1HT VAL 1 11.016 0.761 0.858
2 H2 VAL 1 2HT VAL 1 10.173 1.185 2.268
3 H3 VAL 1 3HT VAL 1 10.823 2.390 1.270
4 HA VAL 1 HA VAL 1 9.178 2.219 -0.298
5 HB VAL 1 HB VAL 1 7.880 0.055 -0.508
6 HG11 VAL 1 2HG1 VAL 1 10.534 -1.035 -0.787
7 HG12 VAL 1 3HG1 VAL 1 10.514 0.640 -1.319
8 HG13 VAL 1 1HG1 VAL 1 9.409 -0.528 -2.035
9 HG21 VAL 1 1HG2 VAL 1 9.531 -0.576 1.882
10 HG22 VAL 1 2HG2 VAL 1 9.402 -1.853 0.674
11 HG23 VAL 1 3HG2 VAL 1 7.945 -1.186 1.406
12 H DAL 2 H ALA 2 6.617 1.692 -0.034
13 HA DAL 2 HA ALA 2 5.843 2.517 2.743
14 HB1 DAL 2 1HB ALA 2 5.240 0.152 1.696
15 HB2 DAL 2 2HB ALA 2 3.986 1.080 0.872
16 HB3 DAL 2 3HB ALA 2 4.042 1.037 2.632
17 H GLU 3 H GLU 3 4.494 2.405 -0.542
18 HA GLU 3 HA GLU 3 3.213 5.044 -0.150
19 HB2 GLU 3 2HB GLU 3 4.350 5.651 -2.433
20 HB3 GLU 3 1HB GLU 3 5.289 5.798 -0.950
21 HG2 GLU 3 2HG GLU 3 6.742 4.197 -1.620
22 HG3 GLU 3 1HG GLU 3 5.442 3.095 -2.037
23 H ARG 4 H ARG 4 3.847 2.316 -2.347
24 HA ARG 4 HA ARG 4 2.044 2.635 -4.408
25 HB2 ARG 4 2HB ARG 4 2.529 0.163 -2.711
26 HB3 ARG 4 1HB ARG 4 1.807 0.144 -4.316
27 HG2 ARG 4 2HG ARG 4 4.530 1.341 -3.775
28 HG3 ARG 4 1HG ARG 4 4.295 -0.351 -4.207
29 HD2 ARG 4 2HD ARG 4 4.242 0.262 -6.377
30 HD3 ARG 4 1HD ARG 4 2.740 1.144 -6.036
31 HE ARG 4 HE ARG 4 4.604 2.898 -5.084
32 HH11 ARG 4 1HH2 ARG 4 4.371 1.107 -8.061
33 HH12 ARG 4 2HH2 ARG 4 5.267 2.272 -8.965
34 HH21 ARG 4 1HH1 ARG 4 5.771 4.401 -6.267
35 HH22 ARG 4 2HH1 ARG 4 6.055 4.145 -7.958
36 H CYS 5 H CYS 5 1.264 1.453 -1.129
37 HA CYS 5 HA CYS 5 -1.482 0.916 -1.471
38 HB2 CYS 5 2HB CYS 5 0.013 0.430 0.476
39 HB3 CYS 5 1HB CYS 5 -0.121 2.131 0.929
40 H CYS 6 H CYS 6 -0.039 3.961 -0.217
41 HA CYS 6 HA CYS 6 -2.591 5.365 -0.315
42 HB2 CYS 6 2HB CYS 6 0.175 6.574 -0.130
43 HB3 CYS 6 1HB CYS 6 -1.324 7.174 0.573
44 H LYS 7 H LYS 7 -0.060 4.773 -2.628
45 HA LYS 7 HA LYS 7 -0.696 7.101 -4.325
46 HB2 LYS 7 2HB LYS 7 1.077 4.652 -4.550
47 HB3 LYS 7 1HB LYS 7 0.933 5.842 -5.841
48 HG2 LYS 7 2HG LYS 7 1.422 7.071 -3.217
49 HG3 LYS 7 1HG LYS 7 2.716 5.990 -3.732
50 HD2 LYS 7 2HD LYS 7 1.559 8.136 -5.531
51 HD3 LYS 7 1HD LYS 7 2.970 8.395 -4.508
52 HE2 LYS 7 2HE LYS 7 2.889 6.027 -6.383
53 HE3 LYS 7 1HE LYS 7 3.383 7.628 -6.972
54 HZ1 LYS 7 3HZ LYS 7 5.362 6.840 -6.160
55 HZ2 LYS 7 1HZ LYS 7 4.642 5.926 -4.926
56 HZ3 LYS 7 2HZ LYS 7 4.768 7.619 -4.774
57 H ASN 8 H ASN 8 -1.220 3.572 -4.391
58 HA ASN 8 HA ASN 8 -2.698 3.763 -6.937
59 HB2 ASN 8 2HB ASN 8 -1.398 1.758 -5.247
60 HB3 ASN 8 1HB ASN 8 -2.880 1.179 -5.988
61 HD21 ASN 8 1HD2 ASN 8 0.402 1.688 -6.529
62 HD22 ASN 8 2HD2 ASN 8 0.416 1.593 -8.221
63 H GLY 9 H GLY 9 -3.578 4.161 -3.706
64 HA2 GLY 9 2HA GLY 9 -5.660 4.150 -2.631
65 HA3 GLY 9 1HA GLY 9 -6.356 4.292 -4.246
66 H LYS 10 H LYS 10 -7.599 2.618 -4.881
67 HA LYS 10 HA LYS 10 -7.969 0.258 -3.302
68 HB2 LYS 10 2HB LYS 10 -8.931 1.410 -5.838
69 HB3 LYS 10 1HB LYS 10 -8.994 -0.353 -5.769
70 HG2 LYS 10 2HG LYS 10 -10.630 -0.363 -4.188
71 HG3 LYS 10 1HG LYS 10 -9.910 0.985 -3.301
72 HD2 LYS 10 2HD LYS 10 -10.743 2.175 -5.655
73 HD3 LYS 10 1HD LYS 10 -12.021 1.001 -5.345
74 HE2 LYS 10 2HE LYS 10 -11.008 3.037 -3.320
75 HE3 LYS 10 1HE LYS 10 -12.501 3.195 -4.262
76 HZ1 LYS 10 3HZ LYS 10 -13.157 2.173 -2.266
77 HZ2 LYS 10 1HZ LYS 10 -11.833 1.126 -2.245
78 HZ3 LYS 10 2HZ LYS 10 -13.075 0.894 -3.380
79 H ARG 11 H ARG 11 -5.748 0.998 -5.880
80 HA ARG 11 HA ARG 11 -5.107 -1.842 -6.397
81 HB2 ARG 11 2HB ARG 11 -3.724 0.730 -7.262
82 HB3 ARG 11 1HB ARG 11 -3.391 -0.877 -7.889
83 HG2 ARG 11 2HG ARG 11 -5.596 -1.067 -8.833
84 HG3 ARG 11 1HG ARG 11 -6.117 0.419 -8.044
85 HD2 ARG 11 2HD ARG 11 -5.593 1.324 -10.096
86 HD3 ARG 11 1HD ARG 11 -3.967 1.361 -9.396
87 HE ARG 11 HE ARG 11 -4.998 -0.867 -11.129
88 HH11 ARG 11 1HH2 ARG 11 -2.375 1.000 -9.778
89 HH12 ARG 11 2HH2 ARG 11 -1.187 0.259 -10.789
90 HH21 ARG 11 1HH1 ARG 11 -3.420 -1.816 -12.432
91 HH22 ARG 11 2HH1 ARG 11 -1.770 -1.328 -12.274
92 H GLY 12 H GLY 12 -4.234 0.569 -4.161
93 HA2 GLY 12 2HA GLY 12 -1.567 -0.524 -3.590
94 HA3 GLY 12 1HA GLY 12 -2.331 0.852 -2.792
95 H CYS 13 H CYS 13 -4.849 -0.627 -2.234
96 HA CYS 13 HA CYS 13 -4.291 -1.613 0.356
97 HB2 CYS 13 2HB CYS 13 -6.519 -1.465 -1.529
98 HB3 CYS 13 1HB CYS 13 -6.616 -2.905 -0.522
99 H GLY 14 H GLY 14 -3.633 -3.621 1.118
100 HA2 GLY 14 2HA GLY 14 -4.059 -6.156 0.171
101 HA3 GLY 14 1HA GLY 14 -2.721 -5.608 -0.841
102 H ARG 15 H ARG 15 -2.231 -7.738 0.784
103 HA ARG 15 HA ARG 15 -1.403 -7.422 3.435
104 HB2 ARG 15 2HB ARG 15 -1.318 -9.564 2.425
105 HB3 ARG 15 1HB ARG 15 -0.351 -8.980 1.072
106 HG2 ARG 15 2HG ARG 15 1.106 -10.251 2.500
107 HG3 ARG 15 1HG ARG 15 1.526 -8.555 2.708
108 HD2 ARG 15 2HD ARG 15 -0.332 -8.764 4.656
109 HD3 ARG 15 1HD ARG 15 0.262 -10.435 4.637
110 HE ARG 15 HE ARG 15 2.372 -8.376 4.572
111 HH11 ARG 15 1HH2 ARG 15 0.346 -10.434 6.508
112 HH12 ARG 15 2HH2 ARG 15 1.462 -10.518 7.821
113 HH21 ARG 15 1HH1 ARG 15 3.834 -8.486 6.314
114 HH22 ARG 15 2HH1 ARG 15 3.434 -9.419 7.714
115 H TRP 16 H TRP 16 0.677 -6.823 0.548
116 HA TRP 16 HA TRP 16 3.015 -5.935 1.839
117 HB2 TRP 16 2HB TRP 16 2.532 -6.243 -0.646
118 HB3 TRP 16 1HB TRP 16 1.769 -4.654 -0.612
119 HD1 TRP 16 HD TRP 16 5.152 -6.359 -0.133
120 HE1 TRP 16 1HE TRP 16 7.001 -4.594 -0.334
121 HE3 TRP 16 3HE TRP 16 2.315 -2.131 -0.462
122 HZ2 TRP 16 2HZ TRP 16 7.256 -1.760 -0.607
123 HZ3 TRP 16 3HZ TRP 16 3.404 0.090 -0.692
124 HH2 TRP 16 HH TRP 16 5.864 0.266 -0.769
125 H CYS 17 H CYS 17 0.264 -3.885 0.785
126 HA CYS 17 HA CYS 17 1.181 -1.475 2.007
127 HB2 CYS 17 2HB CYS 17 -0.577 -1.263 0.455
128 HB3 CYS 17 1HB CYS 17 -1.456 -2.624 1.130
129 H ARG 18 H ARG 18 -1.167 -3.918 3.148
130 HA ARG 18 HA ARG 18 -1.826 -2.976 5.675
131 HB2 ARG 18 2HB ARG 18 -1.629 -5.516 4.265
132 HB3 ARG 18 1HB ARG 18 -1.357 -5.718 5.994
133 HG2 ARG 18 2HG ARG 18 -3.455 -4.742 6.548
134 HG3 ARG 18 1HG ARG 18 -3.670 -4.095 4.924
135 HD2 ARG 18 2HD ARG 18 -5.079 -6.099 5.235
136 HD3 ARG 18 1HD ARG 18 -3.811 -6.422 4.041
137 HE ARG 18 HE ARG 18 -2.782 -7.899 5.583
138 HH11 ARG 18 1HH2 ARG 18 -5.124 -5.860 7.165
139 HH12 ARG 18 2HH2 ARG 18 -5.020 -6.697 8.674
140 HH21 ARG 18 1HH1 ARG 18 -2.676 -9.009 7.561
141 HH22 ARG 18 2HH1 ARG 18 -3.642 -8.478 8.897
142 H ASP 19 H ASP 19 1.224 -4.586 4.745
143 HA ASP 19 HA ASP 19 2.215 -4.434 7.542
144 HB2 ASP 19 2HB ASP 19 2.447 -6.458 6.076
145 HB3 ASP 19 1HB ASP 19 3.504 -5.520 5.022
146 H HIS 20 H HIS 20 3.162 -3.251 4.294
147 HA HIS 20 HA HIS 20 5.349 -1.628 5.457
148 HB2 HIS 20 2HB HIS 20 4.360 -2.308 2.682
149 HB3 HIS 20 1HB HIS 20 5.632 -1.116 2.939
150 HD1 HIS 20 1HD HIS 20 7.946 -1.955 3.570
151 HD2 HIS 20 2HD HIS 20 5.098 -5.004 3.471
152 HE1 HIS 20 1HE HIS 20 9.224 -4.135 3.706
153 H SER 21 H SER 21 2.048 -1.095 4.448
154 HA SER 21 HA SER 21 2.570 1.830 4.104
155 HB2 SER 21 2HB SER 21 1.410 0.510 2.339
156 HB3 SER 21 1HB SER 21 0.154 0.106 3.501
157 HG SER 21 HG SER 21 -0.652 2.039 3.300
158 H ARG 22 H ARG 22 0.846 3.260 4.880
159 HA ARG 22 HA ARG 22 -0.136 2.542 7.621
160 HB2 ARG 22 2HB ARG 22 1.187 4.790 6.398
161 HB3 ARG 22 1HB ARG 22 -0.397 5.319 6.959
162 HG2 ARG 22 2HG ARG 22 0.052 4.677 9.187
163 HG3 ARG 22 1HG ARG 22 1.429 3.689 8.709
164 HD2 ARG 22 2HD ARG 22 1.439 6.646 8.145
165 HD3 ARG 22 1HD ARG 22 1.902 6.039 9.747
166 HE ARG 22 HE ARG 22 3.450 4.444 8.362
167 HH11 ARG 22 1HH2 ARG 22 2.645 7.718 7.488
168 HH12 ARG 22 2HH2 ARG 22 4.109 7.963 6.607
169 HH21 ARG 22 1HH1 ARG 22 5.327 4.765 7.188
170 HH22 ARG 22 2HH1 ARG 22 5.626 6.290 6.426
171 H CYS 23 H CYS 23 -1.042 3.823 4.449
172 HA CYS 23 HA CYS 23 -3.805 4.438 5.074
173 HB2 CYS 23 2HB CYS 23 -2.630 3.660 2.390
174 HB3 CYS 23 1HB CYS 23 -4.002 4.718 2.689
175 H CYS 24 H CYS 24 -5.537 3.122 3.564
176 HA CYS 24 HA CYS 24 -6.700 1.094 3.227
177 HB2 CYS 24 2HB CYS 24 -3.790 0.435 2.968
178 HB3 CYS 24 1HB CYS 24 -4.921 -0.913 3.055
179 HN1 NH2 25 2H CYS 24 -6.054 0.650 7.043
180 HN2 NH2 25 1H CYS 24 -5.846 2.039 6.088
Start of MODEL 4
1 H1 VAL 1 1HT VAL 1 9.410 1.835 3.201
2 H2 VAL 1 2HT VAL 1 10.207 3.124 2.442
3 H3 VAL 1 3HT VAL 1 10.631 1.524 2.070
4 HA VAL 1 HA VAL 1 9.060 2.917 0.503
5 HB VAL 1 HB VAL 1 8.102 0.692 -0.168
6 HG11 VAL 1 2HG1 VAL 1 10.972 0.197 0.556
7 HG12 VAL 1 3HG1 VAL 1 10.571 1.521 -0.545
8 HG13 VAL 1 1HG1 VAL 1 10.115 -0.129 -0.957
9 HG21 VAL 1 1HG2 VAL 1 7.701 -0.297 2.013
10 HG22 VAL 1 2HG2 VAL 1 9.416 -0.203 2.421
11 HG23 VAL 1 3HG2 VAL 1 8.871 -1.308 1.159
12 H DAL 2 H ALA 2 6.525 1.980 0.120
13 HA DAL 2 HA ALA 2 5.084 3.039 2.505
14 HB1 DAL 2 1HB ALA 2 3.749 0.791 1.178
15 HB2 DAL 2 2HB ALA 2 4.044 1.063 2.889
16 HB3 DAL 2 3HB ALA 2 5.304 0.356 1.881
17 H GLU 3 H GLU 3 5.716 3.951 -0.351
18 HA GLU 3 HA GLU 3 3.446 5.492 -0.877
19 HB2 GLU 3 2HB GLU 3 4.571 5.830 -3.090
20 HB3 GLU 3 1HB GLU 3 5.659 5.985 -1.714
21 HG2 GLU 3 2HG GLU 3 6.700 3.923 -2.143
22 HG3 GLU 3 1HG GLU 3 5.352 3.332 -3.105
23 H ARG 4 H ARG 4 4.230 2.317 -2.293
24 HA ARG 4 HA ARG 4 2.508 2.134 -4.437
25 HB2 ARG 4 2HB ARG 4 3.158 0.130 -2.279
26 HB3 ARG 4 1HB ARG 4 2.233 -0.310 -3.698
27 HG2 ARG 4 2HG ARG 4 4.920 1.049 -3.890
28 HG3 ARG 4 1HG ARG 4 4.746 -0.701 -3.816
29 HD2 ARG 4 2HD ARG 4 3.256 -0.644 -5.790
30 HD3 ARG 4 1HD ARG 4 3.507 1.104 -5.913
31 HE ARG 4 HE ARG 4 5.480 -0.973 -6.568
32 HH11 ARG 4 1HH2 ARG 4 4.938 2.331 -5.627
33 HH12 ARG 4 2HH2 ARG 4 6.420 2.909 -6.306
34 HH21 ARG 4 1HH1 ARG 4 7.411 -0.224 -7.473
35 HH22 ARG 4 2HH1 ARG 4 7.820 1.453 -7.371
36 H CYS 5 H CYS 5 1.465 1.445 -1.057
37 HA CYS 5 HA CYS 5 -1.251 0.918 -1.734
38 HB2 CYS 5 2HB CYS 5 0.065 0.424 0.397
39 HB3 CYS 5 1HB CYS 5 -0.292 2.083 0.868
40 H CYS 6 H CYS 6 0.003 3.883 -0.137
41 HA CYS 6 HA CYS 6 -2.424 5.350 -0.386
42 HB2 CYS 6 2HB CYS 6 0.396 6.462 -0.385
43 HB3 CYS 6 1HB CYS 6 -1.058 7.253 0.214
44 H LYS 7 H LYS 7 0.180 4.768 -2.711
45 HA LYS 7 HA LYS 7 -0.622 6.861 -4.597
46 HB2 LYS 7 2HB LYS 7 1.188 4.453 -4.556
47 HB3 LYS 7 1HB LYS 7 0.815 5.220 -6.096
48 HG2 LYS 7 2HG LYS 7 1.539 7.177 -4.048
49 HG3 LYS 7 1HG LYS 7 2.821 5.999 -4.337
50 HD2 LYS 7 2HD LYS 7 1.415 7.237 -6.680
51 HD3 LYS 7 1HD LYS 7 2.673 8.153 -5.853
52 HE2 LYS 7 2HE LYS 7 3.194 5.295 -6.686
53 HE3 LYS 7 1HE LYS 7 3.381 6.611 -7.857
54 HZ1 LYS 7 3HZ LYS 7 5.185 5.866 -5.890
55 HZ2 LYS 7 1HZ LYS 7 4.510 7.325 -5.349
56 HZ3 LYS 7 2HZ LYS 7 5.253 7.258 -6.871
57 H ASN 8 H ASN 8 -0.959 3.310 -4.494
58 HA ASN 8 HA ASN 8 -2.547 3.144 -6.892
59 HB2 ASN 8 2HB ASN 8 -1.568 1.398 -4.713
60 HB3 ASN 8 1HB ASN 8 -2.955 0.815 -5.606
61 HD21 ASN 8 1HD2 ASN 8 0.408 0.974 -5.665
62 HD22 ASN 8 2HD2 ASN 8 0.650 0.602 -7.299
63 H GLY 9 H GLY 9 -3.423 3.934 -3.661
64 HA2 GLY 9 2HA GLY 9 -5.525 4.193 -2.627
65 HA3 GLY 9 1HA GLY 9 -6.131 4.454 -4.262
66 H LYS 10 H LYS 10 -7.473 2.936 -5.096
67 HA LYS 10 HA LYS 10 -8.432 0.722 -3.567
68 HB2 LYS 10 2HB LYS 10 -8.515 1.331 -6.542
69 HB3 LYS 10 1HB LYS 10 -9.490 0.084 -5.770
70 HG2 LYS 10 2HG LYS 10 -9.611 3.076 -5.311
71 HG3 LYS 10 1HG LYS 10 -10.879 2.043 -5.974
72 HD2 LYS 10 2HD LYS 10 -10.665 0.779 -3.682
73 HD3 LYS 10 1HD LYS 10 -9.913 2.276 -3.139
74 HE2 LYS 10 2HE LYS 10 -12.703 1.962 -4.291
75 HE3 LYS 10 1HE LYS 10 -12.273 2.445 -2.644
76 HZ1 LYS 10 3HZ LYS 10 -12.598 4.477 -3.697
77 HZ2 LYS 10 1HZ LYS 10 -11.935 3.957 -5.159
78 HZ3 LYS 10 2HZ LYS 10 -10.917 4.282 -3.839
79 H ARG 11 H ARG 11 -5.782 1.028 -5.807
80 HA ARG 11 HA ARG 11 -5.376 -1.899 -6.026
81 HB2 ARG 11 2HB ARG 11 -3.667 0.447 -6.950
82 HB3 ARG 11 1HB ARG 11 -3.509 -1.224 -7.467
83 HG2 ARG 11 2HG ARG 11 -5.456 -1.176 -8.730
84 HG3 ARG 11 1HG ARG 11 -6.149 0.157 -7.808
85 HD2 ARG 11 2HD ARG 11 -3.635 0.576 -9.433
86 HD3 ARG 11 1HD ARG 11 -5.235 0.692 -10.188
87 HE ARG 11 HE ARG 11 -5.680 2.264 -8.063
88 HH11 ARG 11 1HH2 ARG 11 -2.804 2.045 -10.026
89 HH12 ARG 11 2HH2 ARG 11 -2.358 3.695 -9.760
90 HH21 ARG 11 1HH1 ARG 11 -5.078 4.413 -7.715
91 HH22 ARG 11 2HH1 ARG 11 -3.646 5.038 -8.459
92 H GLY 12 H GLY 12 -4.478 0.651 -3.954
93 HA2 GLY 12 2HA GLY 12 -1.888 -0.322 -3.143
94 HA3 GLY 12 1HA GLY 12 -2.841 0.903 -2.312
95 H CYS 13 H CYS 13 -5.141 -0.515 -1.657
96 HA CYS 13 HA CYS 13 -4.416 -1.820 0.736
97 HB2 CYS 13 2HB CYS 13 -6.761 -1.187 -0.734
98 HB3 CYS 13 1HB CYS 13 -6.895 -2.877 -0.257
99 H GLY 14 H GLY 14 -3.071 -3.518 0.794
100 HA2 GLY 14 2HA GLY 14 -3.882 -6.105 -0.242
101 HA3 GLY 14 1HA GLY 14 -2.488 -5.452 -1.106
102 H ARG 15 H ARG 15 -2.092 -7.770 0.361
103 HA ARG 15 HA ARG 15 -1.434 -7.651 3.070
104 HB2 ARG 15 2HB ARG 15 -1.354 -9.609 1.502
105 HB3 ARG 15 1HB ARG 15 0.164 -8.985 0.861
106 HG2 ARG 15 2HG ARG 15 1.192 -10.136 2.483
107 HG3 ARG 15 1HG ARG 15 0.545 -8.953 3.619
108 HD2 ARG 15 2HD ARG 15 -0.343 -10.863 4.576
109 HD3 ARG 15 1HD ARG 15 -1.619 -10.572 3.378
110 HE ARG 15 HE ARG 15 0.645 -12.495 3.061
111 HH11 ARG 15 1HH2 ARG 15 -2.384 -11.161 1.954
112 HH12 ARG 15 2HH2 ARG 15 -2.616 -12.366 0.744
113 HH21 ARG 15 1HH1 ARG 15 0.306 -14.107 1.518
114 HH22 ARG 15 2HH1 ARG 15 -1.098 -14.059 0.509
115 H TRP 16 H TRP 16 0.761 -6.790 0.344
116 HA TRP 16 HA TRP 16 3.016 -6.053 1.911
117 HB2 TRP 16 2HB TRP 16 2.886 -6.287 -0.588
118 HB3 TRP 16 1HB TRP 16 2.017 -4.749 -0.642
119 HD1 TRP 16 HD TRP 16 5.411 -6.240 0.298
120 HE1 TRP 16 1HE TRP 16 7.158 -4.357 0.309
121 HE3 TRP 16 3HE TRP 16 2.383 -2.212 -0.494
122 HZ2 TRP 16 2HZ TRP 16 7.259 -1.501 0.027
123 HZ3 TRP 16 3HZ TRP 16 3.336 0.067 -0.606
124 HH2 TRP 16 HH TRP 16 5.760 0.420 -0.354
125 H CYS 17 H CYS 17 0.472 -3.913 0.596
126 HA CYS 17 HA CYS 17 1.256 -1.531 1.954
127 HB2 CYS 17 2HB CYS 17 -0.286 -1.207 0.275
128 HB3 CYS 17 1HB CYS 17 -1.152 -2.683 0.646
129 H ARG 18 H ARG 18 -1.236 -3.939 2.826
130 HA ARG 18 HA ARG 18 -2.179 -2.905 5.234
131 HB2 ARG 18 2HB ARG 18 -2.160 -5.377 3.825
132 HB3 ARG 18 1HB ARG 18 -1.746 -5.750 5.494
133 HG2 ARG 18 2HG ARG 18 -3.775 -4.967 6.317
134 HG3 ARG 18 1HG ARG 18 -4.011 -3.861 4.964
135 HD2 ARG 18 2HD ARG 18 -5.588 -5.706 4.713
136 HD3 ARG 18 1HD ARG 18 -4.335 -5.891 3.472
137 HE ARG 18 HE ARG 18 -3.492 -7.779 4.639
138 HH11 ARG 18 1HH2 ARG 18 -5.771 -5.993 6.567
139 HH12 ARG 18 2HH2 ARG 18 -5.897 -7.216 7.781
140 HH21 ARG 18 1HH1 ARG 18 -3.671 -9.387 6.243
141 HH22 ARG 18 2HH1 ARG 18 -4.705 -9.126 7.604
142 H ASP 19 H ASP 19 0.897 -4.619 4.705
143 HA ASP 19 HA ASP 19 1.526 -4.466 7.605
144 HB2 ASP 19 2HB ASP 19 1.921 -6.423 5.894
145 HB3 ASP 19 1HB ASP 19 3.351 -5.490 5.451
146 H HIS 20 H HIS 20 2.889 -3.340 4.486
147 HA HIS 20 HA HIS 20 4.918 -1.688 5.847
148 HB2 HIS 20 2HB HIS 20 4.100 -2.332 3.019
149 HB3 HIS 20 1HB HIS 20 5.217 -1.009 3.322
150 HD1 HIS 20 1HD HIS 20 7.563 -1.632 4.343
151 HD2 HIS 20 2HD HIS 20 5.148 -4.919 3.468
152 HE1 HIS 20 1HE HIS 20 9.060 -3.676 4.420
153 H SER 21 H SER 21 2.513 -0.830 3.355
154 HA SER 21 HA SER 21 2.536 1.951 3.670
155 HB2 SER 21 2HB SER 21 0.463 -0.054 2.828
156 HB3 SER 21 1HB SER 21 0.161 1.667 2.696
157 HG SER 21 HG SER 21 2.054 1.817 1.404
158 H ARG 22 H ARG 22 1.551 3.400 5.018
159 HA ARG 22 HA ARG 22 0.285 2.433 7.481
160 HB2 ARG 22 2HB ARG 22 0.999 5.117 6.275
161 HB3 ARG 22 1HB ARG 22 0.080 5.008 7.776
162 HG2 ARG 22 2HG ARG 22 2.706 3.550 7.386
163 HG3 ARG 22 1HG ARG 22 2.630 5.188 8.030
164 HD2 ARG 22 2HD ARG 22 0.963 2.970 9.237
165 HD3 ARG 22 1HD ARG 22 2.632 3.261 9.761
166 HE ARG 22 HE ARG 22 1.590 5.785 9.834
167 HH11 ARG 22 1HH2 ARG 22 0.385 2.730 11.004
168 HH12 ARG 22 2HH2 ARG 22 -0.416 3.432 12.367
169 HH21 ARG 22 1HH1 ARG 22 0.549 6.690 11.609
170 HH22 ARG 22 2HH1 ARG 22 -0.328 5.676 12.707
171 H CYS 23 H CYS 23 -0.694 4.070 4.458
172 HA CYS 23 HA CYS 23 -3.475 4.355 5.261
173 HB2 CYS 23 2HB CYS 23 -3.794 4.825 2.817
174 HB3 CYS 23 1HB CYS 23 -2.493 5.775 3.518
175 H CYS 24 H CYS 24 -5.186 2.878 4.780
176 HA CYS 24 HA CYS 24 -6.179 0.782 4.308
177 HB2 CYS 24 2HB CYS 24 -3.886 0.991 2.468
178 HB3 CYS 24 1HB CYS 24 -4.338 -0.664 2.861
179 HN1 NH2 25 2H CYS 24 -3.719 -0.211 7.132
180 HN2 NH2 25 1H CYS 24 -4.234 1.321 6.636
Start of MODEL 5
1 H1 VAL 1 1HT VAL 1 9.535 1.184 2.535
2 H2 VAL 1 2HT VAL 1 10.413 2.278 1.581
3 H3 VAL 1 3HT VAL 1 10.557 0.611 1.308
4 HA VAL 1 HA VAL 1 8.954 2.201 -0.134
5 HB VAL 1 HB VAL 1 7.756 0.015 -0.639
6 HG11 VAL 1 2HG1 VAL 1 9.547 -0.754 -1.842
7 HG12 VAL 1 3HG1 VAL 1 10.648 -0.677 -0.473
8 HG13 VAL 1 1HG1 VAL 1 10.225 0.792 -1.348
9 HG21 VAL 1 1HG2 VAL 1 7.633 -1.428 1.116
10 HG22 VAL 1 2HG2 VAL 1 8.981 -0.667 1.950
11 HG23 VAL 1 3HG2 VAL 1 9.287 -1.865 0.700
12 H DAL 2 H ALA 2 6.381 1.714 -0.292
13 HA DAL 2 HA ALA 2 5.260 2.656 2.286
14 HB1 DAL 2 1HB ALA 2 3.660 0.537 1.044
15 HB2 DAL 2 2HB ALA 2 4.132 0.751 2.722
16 HB3 DAL 2 3HB ALA 2 5.245 -0.008 1.591
17 H GLU 3 H GLU 3 5.635 3.881 -0.364
18 HA GLU 3 HA GLU 3 3.356 5.429 -0.669
19 HB2 GLU 3 2HB GLU 3 4.293 5.874 -2.941
20 HB3 GLU 3 1HB GLU 3 5.501 5.916 -1.662
21 HG2 GLU 3 2HG GLU 3 6.453 3.879 -2.317
22 HG3 GLU 3 1HG GLU 3 4.988 3.346 -3.124
23 H ARG 4 H ARG 4 3.917 2.308 -2.308
24 HA ARG 4 HA ARG 4 2.058 2.308 -4.342
25 HB2 ARG 4 2HB ARG 4 2.431 0.075 -2.345
26 HB3 ARG 4 1HB ARG 4 1.867 -0.107 -3.992
27 HG2 ARG 4 2HG ARG 4 4.638 0.425 -2.980
28 HG3 ARG 4 1HG ARG 4 4.100 -0.645 -4.272
29 HD2 ARG 4 2HD ARG 4 3.744 2.308 -4.673
30 HD3 ARG 4 1HD ARG 4 5.370 1.629 -4.838
31 HE ARG 4 HE ARG 4 3.288 0.095 -6.231
32 HH11 ARG 4 1HH2 ARG 4 5.617 2.695 -6.376
33 HH12 ARG 4 2HH2 ARG 4 5.770 2.611 -8.100
34 HH21 ARG 4 1HH1 ARG 4 3.461 0.048 -8.498
35 HH22 ARG 4 2HH1 ARG 4 4.550 1.132 -9.299
36 H CYS 5 H CYS 5 1.169 1.488 -0.941
37 HA CYS 5 HA CYS 5 -1.597 1.071 -1.442
38 HB2 CYS 5 2HB CYS 5 -0.106 0.644 0.622
39 HB3 CYS 5 1HB CYS 5 -0.518 2.298 1.081
40 H CYS 6 H CYS 6 -0.339 4.006 0.194
41 HA CYS 6 HA CYS 6 -2.706 5.535 -0.165
42 HB2 CYS 6 2HB CYS 6 0.188 6.041 0.431
43 HB3 CYS 6 1HB CYS 6 -0.835 7.426 0.080
44 H LYS 7 H LYS 7 -0.017 4.960 -2.411
45 HA LYS 7 HA LYS 7 -0.727 7.170 -4.191
46 HB2 LYS 7 2HB LYS 7 1.103 4.780 -4.315
47 HB3 LYS 7 1HB LYS 7 0.874 5.816 -5.718
48 HG2 LYS 7 2HG LYS 7 1.377 7.441 -3.384
49 HG3 LYS 7 1HG LYS 7 2.643 6.224 -3.562
50 HD2 LYS 7 2HD LYS 7 1.769 7.656 -6.023
51 HD3 LYS 7 1HD LYS 7 2.748 8.560 -4.866
52 HE2 LYS 7 2HE LYS 7 3.737 5.819 -5.419
53 HE3 LYS 7 1HE LYS 7 3.798 6.928 -6.804
54 HZ1 LYS 7 3HZ LYS 7 4.631 7.949 -4.176
55 HZ2 LYS 7 1HZ LYS 7 5.165 8.378 -5.722
56 HZ3 LYS 7 2HZ LYS 7 5.708 6.934 -5.008
57 H ASN 8 H ASN 8 -1.152 3.632 -4.292
58 HA ASN 8 HA ASN 8 -2.761 3.916 -6.766
59 HB2 ASN 8 2HB ASN 8 -1.170 1.885 -5.355
60 HB3 ASN 8 1HB ASN 8 -2.612 1.256 -6.137
61 HD21 ASN 8 1HD2 ASN 8 0.598 1.943 -6.710
62 HD22 ASN 8 2HD2 ASN 8 0.544 2.142 -8.394
63 H GLY 9 H GLY 9 -3.436 3.967 -3.479
64 HA2 GLY 9 2HA GLY 9 -5.376 3.491 -2.226
65 HA3 GLY 9 1HA GLY 9 -6.204 3.981 -3.702
66 H LYS 10 H LYS 10 -7.420 2.491 -4.689
67 HA LYS 10 HA LYS 10 -7.953 -0.089 -3.670
68 HB2 LYS 10 2HB LYS 10 -8.477 1.483 -6.124
69 HB3 LYS 10 1HB LYS 10 -8.661 -0.260 -6.298
70 HG2 LYS 10 2HG LYS 10 -10.787 0.861 -5.609
71 HG3 LYS 10 1HG LYS 10 -10.233 -0.329 -4.433
72 HD2 LYS 10 2HD LYS 10 -9.407 1.362 -2.968
73 HD3 LYS 10 1HD LYS 10 -9.557 2.608 -4.207
74 HE2 LYS 10 2HE LYS 10 -12.000 1.081 -3.300
75 HE3 LYS 10 1HE LYS 10 -11.410 2.472 -2.373
76 HZ1 LYS 10 3HZ LYS 10 -11.427 3.795 -4.396
77 HZ2 LYS 10 1HZ LYS 10 -12.965 3.179 -4.095
78 HZ3 LYS 10 2HZ LYS 10 -11.996 2.472 -5.294
79 H ARG 11 H ARG 11 -5.535 0.968 -5.940
80 HA ARG 11 HA ARG 11 -4.805 -1.800 -6.713
81 HB2 ARG 11 2HB ARG 11 -3.466 0.859 -7.320
82 HB3 ARG 11 1HB ARG 11 -3.182 -0.665 -8.159
83 HG2 ARG 11 2HG ARG 11 -5.202 -0.573 -9.283
84 HG3 ARG 11 1HG ARG 11 -5.990 0.352 -8.007
85 HD2 ARG 11 2HD ARG 11 -5.644 2.216 -9.252
86 HD3 ARG 11 1HD ARG 11 -3.908 2.005 -8.973
87 HE ARG 11 HE ARG 11 -5.248 0.477 -11.158
88 HH11 ARG 11 1HH2 ARG 11 -2.782 2.684 -10.039
89 HH12 ARG 11 2HH2 ARG 11 -2.018 2.804 -11.585
90 HH21 ARG 11 1HH1 ARG 11 -4.196 0.590 -13.156
91 HH22 ARG 11 2HH1 ARG 11 -2.809 1.607 -13.348
92 H GLY 12 H GLY 12 -3.919 0.545 -4.365
93 HA2 GLY 12 2HA GLY 12 -1.346 -0.793 -3.794
94 HA3 GLY 12 1HA GLY 12 -1.882 0.735 -3.096
95 H CYS 13 H CYS 13 -4.601 -0.498 -2.498
96 HA CYS 13 HA CYS 13 -4.097 -1.316 0.197
97 HB2 CYS 13 2HB CYS 13 -6.209 -0.408 -1.144
98 HB3 CYS 13 1HB CYS 13 -6.579 -2.125 -1.284
99 H GLY 14 H GLY 14 -3.262 -3.256 0.867
100 HA2 GLY 14 2HA GLY 14 -4.247 -5.802 0.142
101 HA3 GLY 14 1HA GLY 14 -2.822 -5.502 -0.854
102 H ARG 15 H ARG 15 -2.388 -7.550 0.737
103 HA ARG 15 HA ARG 15 -1.718 -7.241 3.459
104 HB2 ARG 15 2HB ARG 15 -1.645 -9.419 2.615
105 HB3 ARG 15 1HB ARG 15 -0.751 -8.939 1.172
106 HG2 ARG 15 2HG ARG 15 1.127 -9.656 2.197
107 HG3 ARG 15 1HG ARG 15 0.959 -8.301 3.313
108 HD2 ARG 15 2HD ARG 15 -0.539 -9.765 4.742
109 HD3 ARG 15 1HD ARG 15 -0.121 -11.120 3.676
110 HE ARG 15 HE ARG 15 2.108 -11.073 4.525
111 HH11 ARG 15 1HH2 ARG 15 0.259 -8.315 5.577
112 HH12 ARG 15 2HH2 ARG 15 1.414 -7.846 6.773
113 HH21 ARG 15 1HH1 ARG 15 3.621 -10.438 6.086
114 HH22 ARG 15 2HH1 ARG 15 3.311 -9.045 7.065
115 H TRP 16 H TRP 16 0.448 -6.789 0.635
116 HA TRP 16 HA TRP 16 2.819 -5.994 1.925
117 HB2 TRP 16 2HB TRP 16 2.400 -6.366 -0.534
118 HB3 TRP 16 1HB TRP 16 1.602 -4.790 -0.583
119 HD1 TRP 16 HD TRP 16 5.018 -6.408 -0.040
120 HE1 TRP 16 1HE TRP 16 6.827 -4.609 -0.297
121 HE3 TRP 16 3HE TRP 16 2.089 -2.252 -0.485
122 HZ2 TRP 16 2HZ TRP 16 7.023 -1.777 -0.657
123 HZ3 TRP 16 3HZ TRP 16 3.126 -0.020 -0.781
124 HH2 TRP 16 HH TRP 16 5.585 0.217 -0.867
125 H CYS 17 H CYS 17 0.141 -3.895 0.835
126 HA CYS 17 HA CYS 17 1.147 -1.461 1.942
127 HB2 CYS 17 2HB CYS 17 -0.563 -1.141 0.435
128 HB3 CYS 17 1HB CYS 17 -1.420 -2.581 0.941
129 H ARG 18 H ARG 18 -1.223 -3.807 3.192
130 HA ARG 18 HA ARG 18 -1.879 -2.650 5.652
131 HB2 ARG 18 2HB ARG 18 -2.060 -5.162 4.348
132 HB3 ARG 18 1HB ARG 18 -1.419 -5.482 5.956
133 HG2 ARG 18 2HG ARG 18 -3.371 -4.953 6.965
134 HG3 ARG 18 1HG ARG 18 -3.605 -3.524 5.960
135 HD2 ARG 18 2HD ARG 18 -5.292 -4.739 4.996
136 HD3 ARG 18 1HD ARG 18 -3.983 -5.583 4.142
137 HE ARG 18 HE ARG 18 -4.070 -6.860 6.596
138 HH11 ARG 18 1HH2 ARG 18 -6.358 -6.156 4.080
139 HH12 ARG 18 2HH2 ARG 18 -7.379 -7.493 4.459
140 HH21 ARG 18 1HH1 ARG 18 -5.415 -8.635 7.073
141 HH22 ARG 18 2HH1 ARG 18 -6.849 -8.897 6.139
142 H ASP 19 H ASP 19 1.069 -4.532 4.884
143 HA ASP 19 HA ASP 19 2.045 -4.236 7.675
144 HB2 ASP 19 2HB ASP 19 2.201 -6.211 5.822
145 HB3 ASP 19 1HB ASP 19 3.726 -5.382 5.511
146 H HIS 20 H HIS 20 2.998 -3.208 4.373
147 HA HIS 20 HA HIS 20 5.281 -1.648 5.440
148 HB2 HIS 20 2HB HIS 20 4.135 -2.313 2.722
149 HB3 HIS 20 1HB HIS 20 5.435 -1.134 2.892
150 HD1 HIS 20 1HD HIS 20 7.780 -2.039 3.670
151 HD2 HIS 20 2HD HIS 20 4.865 -4.997 3.270
152 HE1 HIS 20 1HE HIS 20 8.995 -4.267 3.731
153 H SER 21 H SER 21 2.260 -0.967 3.659
154 HA SER 21 HA SER 21 2.625 1.923 3.708
155 HB2 SER 21 2HB SER 21 0.348 0.046 3.036
156 HB3 SER 21 1HB SER 21 0.259 1.780 2.791
157 HG SER 21 HG SER 21 2.059 1.613 1.396
158 H ARG 22 H ARG 22 1.066 3.392 4.727
159 HA ARG 22 HA ARG 22 0.322 2.509 7.464
160 HB2 ARG 22 2HB ARG 22 0.946 5.061 6.045
161 HB3 ARG 22 1HB ARG 22 -0.214 5.166 7.368
162 HG2 ARG 22 2HG ARG 22 2.170 3.522 7.948
163 HG3 ARG 22 1HG ARG 22 2.499 5.236 7.696
164 HD2 ARG 22 2HD ARG 22 1.972 4.631 10.108
165 HD3 ARG 22 1HD ARG 22 0.899 5.860 9.422
166 HE ARG 22 HE ARG 22 -0.871 4.258 9.324
167 HH11 ARG 22 1HH2 ARG 22 2.149 2.832 10.295
168 HH12 ARG 22 2HH2 ARG 22 1.435 1.337 10.777
169 HH21 ARG 22 1HH1 ARG 22 -1.809 2.312 9.965
170 HH22 ARG 22 2HH1 ARG 22 -0.820 1.038 10.601
171 H CYS 23 H CYS 23 -1.152 4.054 4.579
172 HA CYS 23 HA CYS 23 -3.834 4.045 5.713
173 HB2 CYS 23 2HB CYS 23 -4.412 4.415 3.185
174 HB3 CYS 23 1HB CYS 23 -3.498 5.659 4.019
175 H CYS 24 H CYS 24 -5.621 2.677 4.804
176 HA CYS 24 HA CYS 24 -6.561 0.591 4.201
177 HB2 CYS 24 2HB CYS 24 -4.120 0.911 2.590
178 HB3 CYS 24 1HB CYS 24 -4.618 -0.761 2.798
179 HN1 NH2 25 2H CYS 24 -4.203 -0.652 7.073
180 HN2 NH2 25 1H CYS 24 -4.548 0.951 6.637
Start of MODEL 6
1 H1 VAL 1 1HT VAL 1 10.671 0.929 1.959
2 H2 VAL 1 2HT VAL 1 9.626 1.602 3.110
3 H3 VAL 1 3HT VAL 1 10.632 2.602 2.191
4 HA VAL 1 HA VAL 1 9.225 2.668 0.453
5 HB VAL 1 HB VAL 1 8.147 0.556 -0.350
6 HG11 VAL 1 2HG1 VAL 1 10.109 -0.430 -1.138
7 HG12 VAL 1 3HG1 VAL 1 10.983 -0.144 0.366
8 HG13 VAL 1 1HG1 VAL 1 10.654 1.200 -0.730
9 HG21 VAL 1 1HG2 VAL 1 7.604 -0.784 1.455
10 HG22 VAL 1 2HG2 VAL 1 9.080 -0.380 2.331
11 HG23 VAL 1 3HG2 VAL 1 9.139 -1.529 0.997
12 H DAL 2 H ALA 2 6.636 2.158 0.091
13 HA DAL 2 HA ALA 2 5.359 3.084 2.591
14 HB1 DAL 2 1HB ALA 2 3.926 0.834 1.366
15 HB2 DAL 2 2HB ALA 2 4.299 1.141 3.057
16 HB3 DAL 2 3HB ALA 2 5.506 0.400 2.012
17 H GLU 3 H GLU 3 5.783 4.266 -0.030
18 HA GLU 3 HA GLU 3 3.415 5.650 -0.482
19 HB2 GLU 3 2HB GLU 3 4.518 6.242 -2.657
20 HB3 GLU 3 1HB GLU 3 5.567 6.386 -1.249
21 HG2 GLU 3 2HG GLU 3 6.631 4.262 -1.744
22 HG3 GLU 3 1HG GLU 3 5.476 3.935 -3.033
23 H ARG 4 H ARG 4 4.398 2.681 -2.196
24 HA ARG 4 HA ARG 4 2.744 2.599 -4.392
25 HB2 ARG 4 2HB ARG 4 3.226 0.388 -2.384
26 HB3 ARG 4 1HB ARG 4 2.585 0.123 -3.996
27 HG2 ARG 4 2HG ARG 4 5.249 1.420 -3.390
28 HG3 ARG 4 1HG ARG 4 5.027 -0.260 -3.859
29 HD2 ARG 4 2HD ARG 4 5.004 0.328 -6.021
30 HD3 ARG 4 1HD ARG 4 3.603 1.374 -5.727
31 HE ARG 4 HE ARG 4 5.413 3.047 -4.835
32 HH11 ARG 4 1HH2 ARG 4 5.902 0.721 -7.392
33 HH12 ARG 4 2HH2 ARG 4 7.127 1.652 -8.168
34 HH21 ARG 4 1HH1 ARG 4 7.038 4.238 -5.821
35 HH22 ARG 4 2HH1 ARG 4 7.775 3.651 -7.281
36 H CYS 5 H CYS 5 1.637 1.608 -1.122
37 HA CYS 5 HA CYS 5 -0.987 0.898 -1.822
38 HB2 CYS 5 2HB CYS 5 0.117 0.467 0.319
39 HB3 CYS 5 1HB CYS 5 0.058 2.187 0.701
40 H CYS 6 H CYS 6 -0.204 4.023 -0.220
41 HA CYS 6 HA CYS 6 -2.724 5.234 -0.766
42 HB2 CYS 6 2HB CYS 6 -0.097 6.720 -0.555
43 HB3 CYS 6 1HB CYS 6 -1.682 7.223 0.025
44 H LYS 7 H LYS 7 0.234 5.053 -2.723
45 HA LYS 7 HA LYS 7 -0.548 6.971 -4.741
46 HB2 LYS 7 2HB LYS 7 1.382 4.685 -4.453
47 HB3 LYS 7 1HB LYS 7 1.141 5.398 -6.045
48 HG2 LYS 7 2HG LYS 7 1.460 7.455 -4.017
49 HG3 LYS 7 1HG LYS 7 2.838 6.344 -4.035
50 HD2 LYS 7 2HD LYS 7 1.722 7.435 -6.616
51 HD3 LYS 7 1HD LYS 7 2.870 8.384 -5.675
52 HE2 LYS 7 2HE LYS 7 3.527 5.500 -6.246
53 HE3 LYS 7 1HE LYS 7 3.762 6.703 -7.531
54 HZ1 LYS 7 3HZ LYS 7 5.551 6.256 -5.579
55 HZ2 LYS 7 1HZ LYS 7 4.649 7.515 -4.884
56 HZ3 LYS 7 2HZ LYS 7 5.388 7.739 -6.393
57 H ASN 8 H ASN 8 -1.198 3.534 -4.260
58 HA ASN 8 HA ASN 8 -2.321 3.190 -6.957
59 HB2 ASN 8 2HB ASN 8 -1.411 1.606 -4.669
60 HB3 ASN 8 1HB ASN 8 -2.775 0.907 -5.512
61 HD21 ASN 8 1HD2 ASN 8 0.584 1.311 -5.600
62 HD22 ASN 8 2HD2 ASN 8 0.859 0.798 -7.194
63 H GLY 9 H GLY 9 -3.578 4.227 -3.984
64 HA2 GLY 9 2HA GLY 9 -5.786 4.568 -3.264
65 HA3 GLY 9 1HA GLY 9 -6.267 4.343 -4.945
66 H LYS 10 H LYS 10 -7.446 2.548 -5.381
67 HA LYS 10 HA LYS 10 -8.096 0.652 -3.301
68 HB2 LYS 10 2HB LYS 10 -8.603 0.811 -6.280
69 HB3 LYS 10 1HB LYS 10 -9.254 -0.485 -5.278
70 HG2 LYS 10 2HG LYS 10 -9.735 2.476 -4.819
71 HG3 LYS 10 1HG LYS 10 -10.889 1.368 -5.559
72 HD2 LYS 10 2HD LYS 10 -10.703 -0.039 -3.432
73 HD3 LYS 10 1HD LYS 10 -9.850 1.326 -2.717
74 HE2 LYS 10 2HE LYS 10 -12.560 1.680 -4.023
75 HE3 LYS 10 1HE LYS 10 -12.390 1.251 -2.312
76 HZ1 LYS 10 3HZ LYS 10 -11.162 3.600 -3.662
77 HZ2 LYS 10 1HZ LYS 10 -10.875 3.155 -2.053
78 HZ3 LYS 10 2HZ LYS 10 -12.426 3.639 -2.534
79 H ARG 11 H ARG 11 -5.639 0.768 -5.764
80 HA ARG 11 HA ARG 11 -5.078 -2.115 -5.707
81 HB2 ARG 11 2HB ARG 11 -3.432 0.245 -6.710
82 HB3 ARG 11 1HB ARG 11 -3.093 -1.447 -7.027
83 HG2 ARG 11 2HG ARG 11 -4.944 -1.717 -8.407
84 HG3 ARG 11 1HG ARG 11 -5.794 -0.339 -7.715
85 HD2 ARG 11 2HD ARG 11 -3.185 0.155 -9.132
86 HD3 ARG 11 1HD ARG 11 -4.653 -0.113 -10.092
87 HE ARG 11 HE ARG 11 -4.935 1.785 -7.840
88 HH11 ARG 11 1HH2 ARG 11 -4.365 1.298 -11.240
89 HH12 ARG 11 2HH2 ARG 11 -4.920 2.869 -11.684
90 HH21 ARG 11 1HH1 ARG 11 -5.682 3.832 -8.438
91 HH22 ARG 11 2HH1 ARG 11 -5.669 4.303 -10.104
92 H GLY 12 H GLY 12 -4.408 0.546 -3.701
93 HA2 GLY 12 2HA GLY 12 -1.873 -0.333 -2.628
94 HA3 GLY 12 1HA GLY 12 -2.943 0.866 -1.895
95 H CYS 13 H CYS 13 -5.179 -0.353 -1.206
96 HA CYS 13 HA CYS 13 -4.724 -1.833 1.099
97 HB2 CYS 13 2HB CYS 13 -6.925 -1.398 -0.811
98 HB3 CYS 13 1HB CYS 13 -7.111 -2.846 0.170
99 H GLY 14 H GLY 14 -3.347 -3.567 1.132
100 HA2 GLY 14 2HA GLY 14 -4.162 -6.104 0.106
101 HA3 GLY 14 1HA GLY 14 -2.894 -5.445 -0.927
102 H ARG 15 H ARG 15 -2.310 -7.739 0.399
103 HA ARG 15 HA ARG 15 -1.329 -7.782 2.987
104 HB2 ARG 15 2HB ARG 15 0.487 -9.320 1.940
105 HB3 ARG 15 1HB ARG 15 -1.205 -9.769 1.752
106 HG2 ARG 15 2HG ARG 15 -1.242 -9.184 -0.514
107 HG3 ARG 15 1HG ARG 15 0.105 -8.061 -0.349
108 HD2 ARG 15 2HD ARG 15 0.673 -10.253 -1.539
109 HD3 ARG 15 1HD ARG 15 1.689 -9.888 -0.133
110 HE ARG 15 HE ARG 15 0.646 -11.660 1.054
111 HH11 ARG 15 1HH2 ARG 15 -1.104 -10.853 -1.857
112 HH12 ARG 15 2HH2 ARG 15 -2.188 -12.193 -1.721
113 HH21 ARG 15 1HH1 ARG 15 -0.766 -13.412 1.211
114 HH22 ARG 15 2HH1 ARG 15 -2.003 -13.638 0.021
115 H TRP 16 H TRP 16 0.439 -6.400 0.179
116 HA TRP 16 HA TRP 16 2.838 -5.775 1.660
117 HB2 TRP 16 2HB TRP 16 2.511 -5.940 -0.850
118 HB3 TRP 16 1HB TRP 16 1.708 -4.371 -0.776
119 HD1 TRP 16 HD TRP 16 5.104 -6.031 -0.183
120 HE1 TRP 16 1HE TRP 16 6.914 -4.208 -0.207
121 HE3 TRP 16 3HE TRP 16 2.173 -1.861 -0.461
122 HZ2 TRP 16 2HZ TRP 16 7.107 -1.341 -0.348
123 HZ3 TRP 16 3HZ TRP 16 3.193 0.388 -0.539
124 HH2 TRP 16 HH TRP 16 5.648 0.655 -0.493
125 H CYS 17 H CYS 17 0.098 -3.695 0.634
126 HA CYS 17 HA CYS 17 0.937 -1.346 2.003
127 HB2 CYS 17 2HB CYS 17 -0.801 -1.285 0.337
128 HB3 CYS 17 1HB CYS 17 -1.758 -2.463 1.215
129 H ARG 18 H ARG 18 -1.186 -4.020 3.007
130 HA ARG 18 HA ARG 18 -1.974 -3.159 5.568
131 HB2 ARG 18 2HB ARG 18 -2.226 -5.382 4.012
132 HB3 ARG 18 1HB ARG 18 -1.158 -5.987 5.274
133 HG2 ARG 18 2HG ARG 18 -2.825 -4.925 6.939
134 HG3 ARG 18 1HG ARG 18 -3.933 -4.841 5.568
135 HD2 ARG 18 2HD ARG 18 -2.504 -7.416 6.146
136 HD3 ARG 18 1HD ARG 18 -3.951 -6.996 7.072
137 HE ARG 18 HE ARG 18 -3.834 -7.425 4.127
138 HH11 ARG 18 1HH2 ARG 18 -5.683 -6.554 6.962
139 HH12 ARG 18 2HH2 ARG 18 -7.206 -6.866 6.205
140 HH21 ARG 18 1HH1 ARG 18 -5.837 -7.829 3.168
141 HH22 ARG 18 2HH1 ARG 18 -7.299 -7.579 4.067
142 H ASP 19 H ASP 19 1.103 -4.690 4.583
143 HA ASP 19 HA ASP 19 2.066 -4.632 7.393
144 HB2 ASP 19 2HB ASP 19 2.324 -6.594 5.836
145 HB3 ASP 19 1HB ASP 19 3.402 -5.608 4.855
146 H HIS 20 H HIS 20 3.038 -3.294 4.209
147 HA HIS 20 HA HIS 20 5.211 -1.738 5.489
148 HB2 HIS 20 2HB HIS 20 4.247 -2.261 2.677
149 HB3 HIS 20 1HB HIS 20 5.501 -1.069 3.011
150 HD1 HIS 20 1HD HIS 20 7.791 -1.932 3.877
151 HD2 HIS 20 2HD HIS 20 5.058 -4.968 3.037
152 HE1 HIS 20 1HE HIS 20 9.110 -4.090 3.836
153 H SER 21 H SER 21 2.341 -0.991 3.488
154 HA SER 21 HA SER 21 2.694 1.873 3.745
155 HB2 SER 21 2HB SER 21 0.457 0.071 2.822
156 HB3 SER 21 1HB SER 21 0.381 1.814 2.688
157 HG SER 21 HG SER 21 2.267 1.745 1.414
158 H ARG 22 H ARG 22 1.204 3.346 4.711
159 HA ARG 22 HA ARG 22 0.141 2.478 7.343
160 HB2 ARG 22 2HB ARG 22 0.335 5.202 5.990
161 HB3 ARG 22 1HB ARG 22 -0.066 4.918 7.681
162 HG2 ARG 22 2HG ARG 22 2.532 3.936 6.476
163 HG3 ARG 22 1HG ARG 22 2.385 5.550 7.172
164 HD2 ARG 22 2HD ARG 22 1.906 2.911 8.615
165 HD3 ARG 22 1HD ARG 22 3.225 4.059 8.915
166 HE ARG 22 HE ARG 22 0.979 5.629 9.211
167 HH11 ARG 22 1HH2 ARG 22 2.059 2.599 10.546
168 HH12 ARG 22 2HH2 ARG 22 1.150 2.771 12.006
169 HH21 ARG 22 1HH1 ARG 22 -0.202 5.860 11.130
170 HH22 ARG 22 2HH1 ARG 22 -0.130 4.625 12.340
171 H CYS 23 H CYS 23 -0.889 3.721 4.183
172 HA CYS 23 HA CYS 23 -3.627 4.273 4.700
173 HB2 CYS 23 2HB CYS 23 -2.086 3.246 2.293
174 HB3 CYS 23 1HB CYS 23 -3.798 3.653 2.201
175 H CYS 24 H CYS 24 -5.501 2.850 4.166
176 HA CYS 24 HA CYS 24 -6.689 0.812 4.148
177 HB2 CYS 24 2HB CYS 24 -4.637 0.273 2.603
178 HB3 CYS 24 1HB CYS 24 -4.074 -0.668 3.982
179 HN1 NH2 25 2H CYS 24 -4.393 -0.116 7.459
180 HN2 NH2 25 1H CYS 24 -3.620 0.521 6.089
Start of MODEL 7
1 H1 VAL 1 1HT VAL 1 9.866 1.156 2.351
2 H2 VAL 1 2HT VAL 1 10.251 2.696 1.747
3 H3 VAL 1 3HT VAL 1 10.896 1.304 1.021
4 HA VAL 1 HA VAL 1 8.990 2.362 -0.221
5 HB VAL 1 HB VAL 1 8.004 0.123 -0.651
6 HG11 VAL 1 2HG1 VAL 1 10.662 0.878 -0.977
7 HG12 VAL 1 3HG1 VAL 1 9.863 -0.481 -1.768
8 HG13 VAL 1 1HG1 VAL 1 10.766 -0.741 -0.277
9 HG21 VAL 1 1HG2 VAL 1 8.735 -1.808 0.680
10 HG22 VAL 1 2HG2 VAL 1 7.867 -0.657 1.685
11 HG23 VAL 1 3HG2 VAL 1 9.626 -0.749 1.762
12 H DAL 2 H ALA 2 6.466 1.769 -0.253
13 HA DAL 2 HA ALA 2 5.374 2.752 2.317
14 HB1 DAL 2 1HB ALA 2 4.435 0.793 2.887
15 HB2 DAL 2 2HB ALA 2 5.484 0.056 1.679
16 HB3 DAL 2 3HB ALA 2 3.836 0.515 1.259
17 H GLU 3 H GLU 3 5.591 4.023 -0.182
18 HA GLU 3 HA GLU 3 3.380 5.483 -0.631
19 HB2 GLU 3 2HB GLU 3 4.190 5.430 -3.104
20 HB3 GLU 3 1HB GLU 3 5.317 5.946 -1.852
21 HG2 GLU 3 2HG GLU 3 6.677 4.171 -2.213
22 HG3 GLU 3 1HG GLU 3 5.336 3.044 -2.205
23 H ARG 4 H ARG 4 3.753 2.300 -2.212
24 HA ARG 4 HA ARG 4 1.787 2.258 -4.082
25 HB2 ARG 4 2HB ARG 4 2.270 0.090 -2.027
26 HB3 ARG 4 1HB ARG 4 1.540 -0.147 -3.611
27 HG2 ARG 4 2HG ARG 4 4.034 1.298 -3.873
28 HG3 ARG 4 1HG ARG 4 4.279 -0.198 -2.979
29 HD2 ARG 4 2HD ARG 4 2.562 -0.943 -5.066
30 HD3 ARG 4 1HD ARG 4 3.743 0.144 -5.826
31 HE ARG 4 HE ARG 4 4.318 -2.464 -4.652
32 HH11 ARG 4 1HH2 ARG 4 5.579 0.716 -5.285
33 HH12 ARG 4 2HH2 ARG 4 7.218 0.175 -5.379
34 HH21 ARG 4 1HH1 ARG 4 6.461 -3.146 -4.724
35 HH22 ARG 4 2HH1 ARG 4 7.719 -2.007 -5.038
36 H CYS 5 H CYS 5 0.946 1.467 -0.646
37 HA CYS 5 HA CYS 5 -1.826 1.123 -1.098
38 HB2 CYS 5 2HB CYS 5 -0.311 0.790 0.986
39 HB3 CYS 5 1HB CYS 5 -0.775 2.446 1.377
40 H CYS 6 H CYS 6 -0.336 4.137 0.170
41 HA CYS 6 HA CYS 6 -2.795 5.623 -0.261
42 HB2 CYS 6 2HB CYS 6 -0.028 6.100 0.725
43 HB3 CYS 6 1HB CYS 6 -0.928 7.512 0.169
44 H LYS 7 H LYS 7 -0.328 4.657 -2.433
45 HA LYS 7 HA LYS 7 -0.659 7.034 -4.195
46 HB2 LYS 7 2HB LYS 7 1.120 4.606 -4.059
47 HB3 LYS 7 1HB LYS 7 1.006 5.520 -5.558
48 HG2 LYS 7 2HG LYS 7 1.419 7.127 -3.105
49 HG3 LYS 7 1HG LYS 7 2.761 6.094 -3.579
50 HD2 LYS 7 2HD LYS 7 1.387 7.918 -5.559
51 HD3 LYS 7 1HD LYS 7 2.737 8.474 -4.572
52 HE2 LYS 7 2HE LYS 7 2.992 5.916 -6.149
53 HE3 LYS 7 1HE LYS 7 3.255 7.478 -6.948
54 HZ1 LYS 7 3HZ LYS 7 4.947 6.105 -5.108
55 HZ2 LYS 7 1HZ LYS 7 4.541 7.637 -4.494
56 HZ3 LYS 7 2HZ LYS 7 5.270 7.502 -6.020
57 H ASN 8 H ASN 8 -0.974 3.474 -4.384
58 HA ASN 8 HA ASN 8 -2.353 3.614 -6.963
59 HB2 ASN 8 2HB ASN 8 -1.155 1.630 -5.146
60 HB3 ASN 8 1HB ASN 8 -2.524 1.036 -6.070
61 HD21 ASN 8 1HD2 ASN 8 0.784 1.427 -6.211
62 HD22 ASN 8 2HD2 ASN 8 0.980 1.406 -7.901
63 H GLY 9 H GLY 9 -3.482 4.054 -3.834
64 HA2 GLY 9 2HA GLY 9 -5.633 3.958 -2.892
65 HA3 GLY 9 1HA GLY 9 -6.210 4.097 -4.551
66 H LYS 10 H LYS 10 -7.356 2.417 -5.309
67 HA LYS 10 HA LYS 10 -7.946 0.093 -3.778
68 HB2 LYS 10 2HB LYS 10 -8.154 0.620 -6.754
69 HB3 LYS 10 1HB LYS 10 -8.998 -0.667 -5.900
70 HG2 LYS 10 2HG LYS 10 -10.668 0.783 -5.486
71 HG3 LYS 10 1HG LYS 10 -9.560 1.684 -4.452
72 HD2 LYS 10 2HD LYS 10 -9.634 3.397 -5.901
73 HD3 LYS 10 1HD LYS 10 -8.905 2.362 -7.126
74 HE2 LYS 10 2HE LYS 10 -11.886 2.486 -6.547
75 HE3 LYS 10 1HE LYS 10 -11.081 3.320 -7.890
76 HZ1 LYS 10 3HZ LYS 10 -11.862 1.190 -8.650
77 HZ2 LYS 10 1HZ LYS 10 -11.089 0.387 -7.383
78 HZ3 LYS 10 2HZ LYS 10 -10.170 1.150 -8.585
79 H ARG 11 H ARG 11 -5.403 0.753 -6.087
80 HA ARG 11 HA ARG 11 -4.629 -2.097 -6.280
81 HB2 ARG 11 2HB ARG 11 -3.235 0.415 -7.297
82 HB3 ARG 11 1HB ARG 11 -2.874 -1.245 -7.766
83 HG2 ARG 11 2HG ARG 11 -4.737 -1.447 -9.084
84 HG3 ARG 11 1HG ARG 11 -5.709 -0.383 -8.072
85 HD2 ARG 11 2HD ARG 11 -5.100 0.549 -10.382
86 HD3 ARG 11 1HD ARG 11 -4.664 1.589 -9.015
87 HE ARG 11 HE ARG 11 -2.365 1.064 -9.367
88 HH11 ARG 11 1HH2 ARG 11 -4.471 -0.971 -11.285
89 HH12 ARG 11 2HH2 ARG 11 -3.180 -1.598 -12.246
90 HH21 ARG 11 1HH1 ARG 11 -0.704 0.217 -10.645
91 HH22 ARG 11 2HH1 ARG 11 -1.067 -0.940 -11.878
92 H GLY 12 H GLY 12 -3.939 0.660 -4.360
93 HA2 GLY 12 2HA GLY 12 -1.322 -0.198 -3.426
94 HA3 GLY 12 1HA GLY 12 -2.298 1.099 -2.739
95 H CYS 13 H CYS 13 -4.620 -0.186 -2.027
96 HA CYS 13 HA CYS 13 -4.115 -1.339 0.473
97 HB2 CYS 13 2HB CYS 13 -6.277 -0.503 -0.744
98 HB3 CYS 13 1HB CYS 13 -6.435 -2.184 -1.256
99 H GLY 14 H GLY 14 -3.718 -3.431 1.194
100 HA2 GLY 14 2HA GLY 14 -4.188 -5.895 0.119
101 HA3 GLY 14 1HA GLY 14 -2.778 -5.366 -0.804
102 H ARG 15 H ARG 15 -2.348 -7.555 0.710
103 HA ARG 15 HA ARG 15 -1.659 -7.216 3.440
104 HB2 ARG 15 2HB ARG 15 -0.273 -9.217 3.090
105 HB3 ARG 15 1HB ARG 15 -1.801 -9.377 2.235
106 HG2 ARG 15 2HG ARG 15 -0.806 -9.259 0.157
107 HG3 ARG 15 1HG ARG 15 0.492 -8.209 0.720
108 HD2 ARG 15 2HD ARG 15 1.329 -10.498 0.178
109 HD3 ARG 15 1HD ARG 15 1.541 -10.116 1.899
110 HE ARG 15 HE ARG 15 -1.046 -11.363 1.284
111 HH11 ARG 15 1HH2 ARG 15 2.306 -11.887 2.101
112 HH12 ARG 15 2HH2 ARG 15 2.022 -13.450 2.777
113 HH21 ARG 15 1HH1 ARG 15 -1.403 -13.428 2.134
114 HH22 ARG 15 2HH1 ARG 15 -0.083 -14.339 2.772
115 H TRP 16 H TRP 16 0.235 -6.427 0.514
116 HA TRP 16 HA TRP 16 2.714 -5.848 1.871
117 HB2 TRP 16 2HB TRP 16 2.302 -6.173 -0.620
118 HB3 TRP 16 1HB TRP 16 1.575 -4.565 -0.634
119 HD1 TRP 16 HD TRP 16 4.895 -6.348 -0.051
120 HE1 TRP 16 1HE TRP 16 6.799 -4.640 -0.223
121 HE3 TRP 16 3HE TRP 16 2.182 -2.042 -0.490
122 HZ2 TRP 16 2HZ TRP 16 7.143 -1.800 -0.519
123 HZ3 TRP 16 3HZ TRP 16 3.341 0.145 -0.720
124 HH2 TRP 16 HH TRP 16 5.798 0.250 -0.741
125 H CYS 17 H CYS 17 0.025 -3.779 0.790
126 HA CYS 17 HA CYS 17 0.999 -1.336 1.904
127 HB2 CYS 17 2HB CYS 17 -0.758 -0.939 0.483
128 HB3 CYS 17 1HB CYS 17 -1.508 -2.482 0.834
129 H ARG 18 H ARG 18 -1.272 -3.780 3.128
130 HA ARG 18 HA ARG 18 -1.966 -2.718 5.618
131 HB2 ARG 18 2HB ARG 18 -1.878 -5.280 4.268
132 HB3 ARG 18 1HB ARG 18 -1.524 -5.481 5.980
133 HG2 ARG 18 2HG ARG 18 -3.585 -4.606 6.649
134 HG3 ARG 18 1HG ARG 18 -3.826 -3.756 5.120
135 HD2 ARG 18 2HD ARG 18 -5.299 -5.744 5.254
136 HD3 ARG 18 1HD ARG 18 -4.097 -5.951 3.966
137 HE ARG 18 HE ARG 18 -3.048 -7.636 5.263
138 HH11 ARG 18 1HH2 ARG 18 -5.282 -5.770 7.187
139 HH12 ARG 18 2HH2 ARG 18 -5.197 -6.835 8.540
140 HH21 ARG 18 1HH1 ARG 18 -2.936 -9.023 7.059
141 HH22 ARG 18 2HH1 ARG 18 -3.858 -8.664 8.476
142 H ASP 19 H ASP 19 0.983 -4.569 4.795
143 HA ASP 19 HA ASP 19 1.978 -4.301 7.574
144 HB2 ASP 19 2HB ASP 19 2.064 -6.387 6.088
145 HB3 ASP 19 1HB ASP 19 3.326 -5.554 5.182
146 H HIS 20 H HIS 20 2.990 -3.325 4.276
147 HA HIS 20 HA HIS 20 5.284 -1.813 5.370
148 HB2 HIS 20 2HB HIS 20 4.180 -2.308 2.592
149 HB3 HIS 20 1HB HIS 20 5.622 -1.342 2.894
150 HD1 HIS 20 1HD HIS 20 7.748 -2.593 3.743
151 HD2 HIS 20 2HD HIS 20 4.498 -5.097 2.979
152 HE1 HIS 20 1HE HIS 20 8.650 -4.964 3.731
153 H SER 21 H SER 21 2.420 -1.000 3.369
154 HA SER 21 HA SER 21 2.827 1.846 3.458
155 HB2 SER 21 2HB SER 21 0.425 0.086 2.944
156 HB3 SER 21 1HB SER 21 0.448 1.802 2.613
157 HG SER 21 HG SER 21 2.190 1.428 1.172
158 H ARG 22 H ARG 22 1.264 3.384 4.462
159 HA ARG 22 HA ARG 22 0.458 2.502 7.216
160 HB2 ARG 22 2HB ARG 22 0.980 5.289 6.109
161 HB3 ARG 22 1HB ARG 22 0.805 4.845 7.807
162 HG2 ARG 22 2HG ARG 22 2.810 3.147 6.944
163 HG3 ARG 22 1HG ARG 22 3.150 4.633 6.051
164 HD2 ARG 22 2HD ARG 22 3.057 5.907 8.206
165 HD3 ARG 22 1HD ARG 22 2.828 4.370 9.065
166 HE ARG 22 HE ARG 22 5.077 3.775 8.575
167 HH11 ARG 22 1HH2 ARG 22 4.089 6.626 6.832
168 HH12 ARG 22 2HH2 ARG 22 5.684 6.983 6.270
169 HH21 ARG 22 1HH1 ARG 22 7.161 4.250 7.842
170 HH22 ARG 22 2HH1 ARG 22 7.424 5.629 6.834
171 H CYS 23 H CYS 23 -1.078 2.336 4.544
172 HA CYS 23 HA CYS 23 -3.510 3.845 5.440
173 HB2 CYS 23 2HB CYS 23 -3.161 3.194 2.554
174 HB3 CYS 23 1HB CYS 23 -3.828 4.638 3.294
175 H CYS 24 H CYS 24 -5.554 2.721 4.572
176 HA CYS 24 HA CYS 24 -6.889 0.783 4.442
177 HB2 CYS 24 2HB CYS 24 -4.693 0.583 2.607
178 HB3 CYS 24 1HB CYS 24 -5.019 -1.024 3.244
179 HN1 NH2 25 2H CYS 24 -5.370 -0.479 7.596
180 HN2 NH2 25 1H CYS 24 -5.909 1.017 7.002
Start of MODEL 8
1 H1 VAL 1 1HT VAL 1 9.917 3.336 1.943
2 H2 VAL 1 2HT VAL 1 9.323 4.126 0.570
3 H3 VAL 1 3HT VAL 1 10.644 3.076 0.435
4 HA VAL 1 HA VAL 1 8.610 2.010 -0.374
5 HB VAL 1 HB VAL 1 9.696 0.995 2.272
6 HG11 VAL 1 2HG1 VAL 1 9.223 -1.262 1.099
7 HG12 VAL 1 3HG1 VAL 1 8.160 -0.337 0.043
8 HG13 VAL 1 1HG1 VAL 1 7.853 -0.384 1.779
9 HG21 VAL 1 1HG2 VAL 1 11.632 1.137 1.033
10 HG22 VAL 1 2HG2 VAL 1 10.782 1.074 -0.511
11 HG23 VAL 1 3HG2 VAL 1 11.052 -0.402 0.411
12 H DAL 2 H ALA 2 6.408 1.559 0.008
13 HA DAL 2 HA ALA 2 5.241 2.697 2.526
14 HB1 DAL 2 1HB ALA 2 3.766 0.570 1.132
15 HB2 DAL 2 2HB ALA 2 4.151 0.738 2.841
16 HB3 DAL 2 3HB ALA 2 5.343 0.075 1.734
17 H GLU 3 H GLU 3 5.626 3.748 -0.354
18 HA GLU 3 HA GLU 3 3.371 5.410 -0.564
19 HB2 GLU 3 2HB GLU 3 4.362 6.021 -2.684
20 HB3 GLU 3 1HB GLU 3 5.665 5.644 -1.555
21 HG2 GLU 3 2HG GLU 3 5.934 3.429 -2.521
22 HG3 GLU 3 1HG GLU 3 4.520 3.667 -3.545
23 H ARG 4 H ARG 4 3.879 2.280 -2.183
24 HA ARG 4 HA ARG 4 2.042 2.269 -4.219
25 HB2 ARG 4 2HB ARG 4 2.406 0.093 -2.152
26 HB3 ARG 4 1HB ARG 4 1.741 -0.143 -3.759
27 HG2 ARG 4 2HG ARG 4 4.550 0.787 -3.091
28 HG3 ARG 4 1HG ARG 4 4.088 -0.778 -3.760
29 HD2 ARG 4 2HD ARG 4 3.924 0.051 -5.872
30 HD3 ARG 4 1HD ARG 4 3.071 1.501 -5.320
31 HE ARG 4 HE ARG 4 5.153 2.610 -5.152
32 HH11 ARG 4 1HH2 ARG 4 5.560 -0.839 -5.324
33 HH12 ARG 4 2HH2 ARG 4 7.283 -0.760 -5.364
34 HH21 ARG 4 1HH1 ARG 4 7.413 2.706 -5.211
35 HH22 ARG 4 2HH1 ARG 4 8.330 1.241 -5.305
36 H CYS 5 H CYS 5 1.027 1.297 -0.898
37 HA CYS 5 HA CYS 5 -1.732 1.073 -1.459
38 HB2 CYS 5 2HB CYS 5 -0.210 0.616 0.645
39 HB3 CYS 5 1HB CYS 5 -0.805 2.196 1.147
40 H CYS 6 H CYS 6 -0.063 3.956 -0.101
41 HA CYS 6 HA CYS 6 -2.460 5.584 -0.188
42 HB2 CYS 6 2HB CYS 6 0.414 6.536 -0.166
43 HB3 CYS 6 1HB CYS 6 -0.984 7.313 0.572
44 H LYS 7 H LYS 7 0.047 4.837 -2.542
45 HA LYS 7 HA LYS 7 -0.627 7.084 -4.315
46 HB2 LYS 7 2HB LYS 7 1.151 4.643 -4.428
47 HB3 LYS 7 1HB LYS 7 0.945 5.682 -5.831
48 HG2 LYS 7 2HG LYS 7 1.618 6.999 -3.239
49 HG3 LYS 7 1HG LYS 7 2.896 6.083 -4.042
50 HD2 LYS 7 2HD LYS 7 1.214 8.158 -5.470
51 HD3 LYS 7 1HD LYS 7 2.749 8.543 -4.688
52 HE2 LYS 7 2HE LYS 7 2.703 6.215 -6.588
53 HE3 LYS 7 1HE LYS 7 2.670 7.853 -7.272
54 HZ1 LYS 7 3HZ LYS 7 4.528 8.322 -5.590
55 HZ2 LYS 7 1HZ LYS 7 4.927 7.425 -6.975
56 HZ3 LYS 7 2HZ LYS 7 4.700 6.631 -5.486
57 H ASN 8 H ASN 8 -0.949 3.530 -4.441
58 HA ASN 8 HA ASN 8 -2.601 3.667 -6.858
59 HB2 ASN 8 2HB ASN 8 -1.155 1.705 -5.219
60 HB3 ASN 8 1HB ASN 8 -2.618 1.076 -5.957
61 HD21 ASN 8 1HD2 ASN 8 0.628 1.512 -6.536
62 HD22 ASN 8 2HD2 ASN 8 0.605 1.521 -8.232
63 H GLY 9 H GLY 9 -3.245 3.853 -3.525
64 HA2 GLY 9 2HA GLY 9 -5.242 3.682 -2.291
65 HA3 GLY 9 1HA GLY 9 -6.027 4.102 -3.812
66 H LYS 10 H LYS 10 -7.292 2.590 -4.753
67 HA LYS 10 HA LYS 10 -7.947 0.127 -3.488
68 HB2 LYS 10 2HB LYS 10 -8.255 0.903 -6.404
69 HB3 LYS 10 1HB LYS 10 -9.219 -0.293 -5.542
70 HG2 LYS 10 2HG LYS 10 -9.121 2.672 -4.890
71 HG3 LYS 10 1HG LYS 10 -10.407 1.868 -5.784
72 HD2 LYS 10 2HD LYS 10 -10.406 0.285 -3.624
73 HD3 LYS 10 1HD LYS 10 -9.771 1.746 -2.863
74 HE2 LYS 10 2HE LYS 10 -12.428 1.368 -4.285
75 HE3 LYS 10 1HE LYS 10 -12.134 1.970 -2.646
76 HZ1 LYS 10 3HZ LYS 10 -10.728 3.752 -3.929
77 HZ2 LYS 10 1HZ LYS 10 -12.402 3.934 -3.774
78 HZ3 LYS 10 2HZ LYS 10 -11.752 3.336 -5.218
79 H ARG 11 H ARG 11 -5.507 0.915 -5.863
80 HA ARG 11 HA ARG 11 -4.973 -1.915 -6.522
81 HB2 ARG 11 2HB ARG 11 -3.478 0.639 -7.202
82 HB3 ARG 11 1HB ARG 11 -3.221 -0.931 -7.946
83 HG2 ARG 11 2HG ARG 11 -5.354 -0.935 -8.974
84 HG3 ARG 11 1HG ARG 11 -5.940 0.376 -7.951
85 HD2 ARG 11 2HD ARG 11 -5.417 1.708 -9.726
86 HD3 ARG 11 1HD ARG 11 -3.749 1.540 -9.157
87 HE ARG 11 HE ARG 11 -4.978 -0.345 -11.153
88 HH11 ARG 11 1HH2 ARG 11 -2.240 1.412 -9.854
89 HH12 ARG 11 2HH2 ARG 11 -1.193 0.952 -11.150
90 HH21 ARG 11 1HH1 ARG 11 -3.582 -0.965 -12.802
91 HH22 ARG 11 2HH1 ARG 11 -1.947 -0.405 -12.816
92 H GLY 12 H GLY 12 -3.990 0.280 -4.103
93 HA2 GLY 12 2HA GLY 12 -1.503 -1.273 -3.574
94 HA3 GLY 12 1HA GLY 12 -1.794 0.358 -2.992
95 H CYS 13 H CYS 13 -4.693 -0.697 -2.283
96 HA CYS 13 HA CYS 13 -4.090 -1.269 0.491
97 HB2 CYS 13 2HB CYS 13 -6.123 -0.126 -0.501
98 HB3 CYS 13 1HB CYS 13 -6.685 -1.724 -0.995
99 H GLY 14 H GLY 14 -2.598 -3.164 -0.414
100 HA2 GLY 14 2HA GLY 14 -4.184 -5.703 -0.335
101 HA3 GLY 14 1HA GLY 14 -2.661 -5.544 -1.219
102 H ARG 15 H ARG 15 -2.499 -7.554 0.470
103 HA ARG 15 HA ARG 15 -2.037 -7.148 3.225
104 HB2 ARG 15 2HB ARG 15 -0.751 -9.235 3.079
105 HB3 ARG 15 1HB ARG 15 -2.198 -9.334 2.082
106 HG2 ARG 15 2HG ARG 15 -0.782 -8.711 0.089
107 HG3 ARG 15 1HG ARG 15 0.639 -8.806 1.130
108 HD2 ARG 15 2HD ARG 15 -1.269 -11.060 0.408
109 HD3 ARG 15 1HD ARG 15 0.468 -10.963 0.066
110 HE ARG 15 HE ARG 15 -0.752 -11.553 2.693
111 HH11 ARG 15 1HH2 ARG 15 2.069 -10.607 0.883
112 HH12 ARG 15 2HH2 ARG 15 3.177 -11.109 2.109
113 HH21 ARG 15 1HH1 ARG 15 0.696 -12.178 4.309
114 HH22 ARG 15 2HH1 ARG 15 2.397 -12.009 4.054
115 H TRP 16 H TRP 16 0.318 -6.802 0.538
116 HA TRP 16 HA TRP 16 2.661 -6.267 2.074
117 HB2 TRP 16 2HB TRP 16 2.565 -6.580 -0.396
118 HB3 TRP 16 1HB TRP 16 1.735 -5.028 -0.544
119 HD1 TRP 16 HD TRP 16 5.107 -6.535 0.448
120 HE1 TRP 16 1HE TRP 16 6.885 -4.693 0.360
121 HE3 TRP 16 3HE TRP 16 2.145 -2.484 -0.454
122 HZ2 TRP 16 2HZ TRP 16 7.054 -1.869 -0.078
123 HZ3 TRP 16 3HZ TRP 16 3.144 -0.236 -0.702
124 HH2 TRP 16 HH TRP 16 5.587 0.082 -0.512
125 H CYS 17 H CYS 17 0.249 -3.998 0.751
126 HA CYS 17 HA CYS 17 1.265 -1.629 1.994
127 HB2 CYS 17 2HB CYS 17 -0.303 -1.061 0.456
128 HB3 CYS 17 1HB CYS 17 -1.124 -2.602 0.604
129 H ARG 18 H ARG 18 -1.347 -3.852 2.949
130 HA ARG 18 HA ARG 18 -2.228 -2.783 5.356
131 HB2 ARG 18 2HB ARG 18 -1.981 -5.424 4.087
132 HB3 ARG 18 1HB ARG 18 -2.063 -5.513 5.841
133 HG2 ARG 18 2HG ARG 18 -4.171 -4.473 5.924
134 HG3 ARG 18 1HG ARG 18 -3.998 -3.785 4.308
135 HD2 ARG 18 2HD ARG 18 -5.353 -5.551 3.733
136 HD3 ARG 18 1HD ARG 18 -3.820 -6.442 3.721
137 HE ARG 18 HE ARG 18 -4.574 -6.522 6.385
138 HH11 ARG 18 1HH2 ARG 18 -6.042 -7.396 3.350
139 HH12 ARG 18 2HH2 ARG 18 -7.078 -8.584 4.055
140 HH21 ARG 18 1HH1 ARG 18 -5.942 -8.075 7.298
141 HH22 ARG 18 2HH1 ARG 18 -7.026 -8.971 6.288
142 H ASP 19 H ASP 19 0.733 -4.688 4.807
143 HA ASP 19 HA ASP 19 1.528 -4.496 7.662
144 HB2 ASP 19 2HB ASP 19 1.762 -6.527 6.121
145 HB3 ASP 19 1HB ASP 19 3.033 -5.630 5.288
146 H HIS 20 H HIS 20 2.720 -3.388 4.471
147 HA HIS 20 HA HIS 20 4.903 -1.839 5.719
148 HB2 HIS 20 2HB HIS 20 3.922 -2.414 2.916
149 HB3 HIS 20 1HB HIS 20 5.218 -1.254 3.203
150 HD1 HIS 20 1HD HIS 20 7.472 -2.184 4.097
151 HD2 HIS 20 2HD HIS 20 4.614 -5.122 3.355
152 HE1 HIS 20 1HE HIS 20 8.692 -4.407 4.132
153 H SER 21 H SER 21 2.417 -0.937 3.328
154 HA SER 21 HA SER 21 2.624 1.857 3.556
155 HB2 SER 21 2HB SER 21 0.399 -0.037 2.832
156 HB3 SER 21 1HB SER 21 0.232 1.698 2.640
157 HG SER 21 HG SER 21 2.111 1.649 1.308
158 H ARG 22 H ARG 22 1.562 3.432 4.750
159 HA ARG 22 HA ARG 22 0.492 2.685 7.374
160 HB2 ARG 22 2HB ARG 22 0.628 5.345 5.880
161 HB3 ARG 22 1HB ARG 22 0.296 5.162 7.599
162 HG2 ARG 22 2HG ARG 22 2.860 4.315 6.217
163 HG3 ARG 22 1HG ARG 22 2.652 5.772 7.188
164 HD2 ARG 22 2HD ARG 22 3.269 4.512 8.965
165 HD3 ARG 22 1HD ARG 22 1.677 3.742 8.835
166 HE ARG 22 HE ARG 22 3.209 2.433 6.915
167 HH11 ARG 22 1HH2 ARG 22 3.476 3.041 10.339
168 HH12 ARG 22 2HH2 ARG 22 4.367 1.588 10.647
169 HH21 ARG 22 1HH1 ARG 22 4.332 0.531 7.321
170 HH22 ARG 22 2HH1 ARG 22 4.855 0.160 8.937
171 H CYS 23 H CYS 23 -0.733 4.120 4.348
172 HA CYS 23 HA CYS 23 -3.500 4.309 5.136
173 HB2 CYS 23 2HB CYS 23 -2.525 3.811 2.314
174 HB3 CYS 23 1HB CYS 23 -3.859 4.826 2.843
175 H CYS 24 H CYS 24 -5.099 2.688 5.086
176 HA CYS 24 HA CYS 24 -6.049 0.533 4.870
177 HB2 CYS 24 2HB CYS 24 -4.208 0.883 2.603
178 HB3 CYS 24 1HB CYS 24 -4.528 -0.799 3.009
179 HN1 NH2 25 2H CYS 24 -2.794 -0.501 6.842
180 HN2 NH2 25 1H CYS 24 -3.232 1.079 6.425
Start of MODEL 9
1 H1 VAL 1 1HT VAL 1 10.305 3.206 1.292
2 H2 VAL 1 2HT VAL 1 9.677 3.011 2.858
3 H3 VAL 1 3HT VAL 1 8.960 4.102 1.779
4 HA VAL 1 HA VAL 1 8.659 1.980 0.295
5 HB VAL 1 HB VAL 1 8.737 0.913 3.146
6 HG11 VAL 1 2HG1 VAL 1 7.234 -0.431 1.889
7 HG12 VAL 1 3HG1 VAL 1 8.764 -1.299 1.815
8 HG13 VAL 1 1HG1 VAL 1 8.233 -0.336 0.438
9 HG21 VAL 1 1HG2 VAL 1 11.021 1.337 2.512
10 HG22 VAL 1 2HG2 VAL 1 10.751 0.713 0.888
11 HG23 VAL 1 3HG2 VAL 1 10.741 -0.391 2.259
12 H DAL 2 H ALA 2 6.369 1.025 0.510
13 HA DAL 2 HA ALA 2 4.628 2.611 2.341
14 HB1 DAL 2 1HB ALA 2 4.793 -0.112 1.572
15 HB2 DAL 2 2HB ALA 2 3.260 0.506 0.962
16 HB3 DAL 2 3HB ALA 2 3.645 0.621 2.672
17 H GLU 3 H GLU 3 5.708 3.565 -0.313
18 HA GLU 3 HA GLU 3 3.824 5.224 -1.310
19 HB2 GLU 3 2HB GLU 3 4.937 4.632 -3.631
20 HB3 GLU 3 1HB GLU 3 5.906 5.337 -2.339
21 HG2 GLU 3 2HG GLU 3 7.173 3.472 -2.139
22 HG3 GLU 3 1HG GLU 3 5.767 2.420 -2.137
23 H ARG 4 H ARG 4 4.177 2.017 -2.869
24 HA ARG 4 HA ARG 4 2.106 2.009 -4.656
25 HB2 ARG 4 2HB ARG 4 2.880 -0.221 -2.769
26 HB3 ARG 4 1HB ARG 4 1.959 -0.446 -4.241
27 HG2 ARG 4 2HG ARG 4 4.648 0.903 -4.260
28 HG3 ARG 4 1HG ARG 4 4.491 -0.845 -4.346
29 HD2 ARG 4 2HD ARG 4 3.841 -0.784 -6.509
30 HD3 ARG 4 1HD ARG 4 2.657 0.495 -6.185
31 HE ARG 4 HE ARG 4 5.074 1.832 -5.989
32 HH11 ARG 4 1HH2 ARG 4 3.549 -0.196 -8.387
33 HH12 ARG 4 2HH2 ARG 4 4.423 0.491 -9.711
34 HH21 ARG 4 1HH1 ARG 4 6.206 2.730 -7.727
35 HH22 ARG 4 2HH1 ARG 4 5.924 2.157 -9.336
36 H CYS 5 H CYS 5 1.683 1.509 -1.151
37 HA CYS 5 HA CYS 5 -1.051 0.702 -1.211
38 HB2 CYS 5 2HB CYS 5 0.420 0.474 0.718
39 HB3 CYS 5 1HB CYS 5 0.572 2.224 0.844
40 H CYS 6 H CYS 6 -0.244 3.819 0.274
41 HA CYS 6 HA CYS 6 -2.727 5.051 -0.251
42 HB2 CYS 6 2HB CYS 6 -0.025 5.763 0.666
43 HB3 CYS 6 1HB CYS 6 -0.884 7.107 -0.087
44 H LYS 7 H LYS 7 0.044 4.702 -2.410
45 HA LYS 7 HA LYS 7 -0.659 6.882 -4.202
46 HB2 LYS 7 2HB LYS 7 1.072 4.411 -4.362
47 HB3 LYS 7 1HB LYS 7 0.898 5.507 -5.730
48 HG2 LYS 7 2HG LYS 7 1.501 6.770 -3.110
49 HG3 LYS 7 1HG LYS 7 2.793 5.815 -3.832
50 HD2 LYS 7 2HD LYS 7 1.284 8.008 -5.287
51 HD3 LYS 7 1HD LYS 7 2.860 8.224 -4.516
52 HE2 LYS 7 2HE LYS 7 3.887 6.586 -5.988
53 HE3 LYS 7 1HE LYS 7 2.306 6.148 -6.667
54 HZ1 LYS 7 3HZ LYS 7 3.621 8.806 -6.827
55 HZ2 LYS 7 1HZ LYS 7 2.042 8.484 -7.354
56 HZ3 LYS 7 2HZ LYS 7 3.356 7.729 -8.112
57 H ASN 8 H ASN 8 -0.960 3.340 -4.514
58 HA ASN 8 HA ASN 8 -2.525 3.538 -6.948
59 HB2 ASN 8 2HB ASN 8 -1.329 1.507 -5.201
60 HB3 ASN 8 1HB ASN 8 -2.786 0.976 -6.014
61 HD21 ASN 8 1HD2 ASN 8 0.516 1.302 -6.377
62 HD22 ASN 8 2HD2 ASN 8 0.619 1.226 -8.066
63 H GLY 9 H GLY 9 -3.376 3.725 -3.637
64 HA2 GLY 9 2HA GLY 9 -5.470 3.794 -2.577
65 HA3 GLY 9 1HA GLY 9 -6.141 4.124 -4.175
66 H LYS 10 H LYS 10 -7.452 2.586 -5.012
67 HA LYS 10 HA LYS 10 -8.150 0.181 -3.682
68 HB2 LYS 10 2HB LYS 10 -8.426 1.208 -6.507
69 HB3 LYS 10 1HB LYS 10 -9.065 -0.367 -6.044
70 HG2 LYS 10 2HG LYS 10 -10.830 0.556 -5.008
71 HG3 LYS 10 1HG LYS 10 -9.795 1.647 -4.088
72 HD2 LYS 10 2HD LYS 10 -10.640 3.335 -5.346
73 HD3 LYS 10 1HD LYS 10 -9.717 2.668 -6.693
74 HE2 LYS 10 2HE LYS 10 -12.059 2.877 -7.388
75 HE3 LYS 10 1HE LYS 10 -11.691 1.155 -7.196
76 HZ1 LYS 10 3HZ LYS 10 -12.678 2.726 -4.904
77 HZ2 LYS 10 1HZ LYS 10 -12.773 1.054 -5.170
78 HZ3 LYS 10 2HZ LYS 10 -13.770 2.114 -6.038
79 H ARG 11 H ARG 11 -5.633 0.862 -5.998
80 HA ARG 11 HA ARG 11 -5.005 -1.997 -6.424
81 HB2 ARG 11 2HB ARG 11 -3.553 0.536 -7.266
82 HB3 ARG 11 1HB ARG 11 -3.271 -1.083 -7.897
83 HG2 ARG 11 2HG ARG 11 -5.359 -1.149 -9.002
84 HG3 ARG 11 1HG ARG 11 -6.005 0.183 -8.044
85 HD2 ARG 11 2HD ARG 11 -3.635 0.565 -9.896
86 HD3 ARG 11 1HD ARG 11 -5.308 0.789 -10.445
87 HE ARG 11 HE ARG 11 -5.039 2.221 -8.008
88 HH11 ARG 11 1HH2 ARG 11 -3.733 2.245 -11.245
89 HH12 ARG 11 2HH2 ARG 11 -3.508 3.956 -11.276
90 HH21 ARG 11 1HH1 ARG 11 -4.722 4.455 -8.046
91 HH22 ARG 11 2HH1 ARG 11 -4.060 5.215 -9.454
92 H GLY 12 H GLY 12 -4.206 0.421 -4.172
93 HA2 GLY 12 2HA GLY 12 -1.655 -0.907 -3.417
94 HA3 GLY 12 1HA GLY 12 -2.136 0.709 -2.920
95 H CYS 13 H CYS 13 -4.938 -0.832 -2.487
96 HA CYS 13 HA CYS 13 -4.544 -1.114 0.394
97 HB2 CYS 13 2HB CYS 13 -6.643 -0.626 -1.411
98 HB3 CYS 13 1HB CYS 13 -7.033 -2.183 -0.685
99 H GLY 14 H GLY 14 -2.802 -2.955 -0.688
100 HA2 GLY 14 2HA GLY 14 -4.204 -5.587 -0.425
101 HA3 GLY 14 1HA GLY 14 -2.692 -5.353 -1.295
102 H ARG 15 H ARG 15 -2.554 -7.310 0.470
103 HA ARG 15 HA ARG 15 -2.049 -6.764 3.209
104 HB2 ARG 15 2HB ARG 15 -0.625 -8.852 3.048
105 HB3 ARG 15 1HB ARG 15 -2.244 -9.022 2.379
106 HG2 ARG 15 2HG ARG 15 -0.849 -8.177 0.172
107 HG3 ARG 15 1HG ARG 15 0.382 -9.112 1.016
108 HD2 ARG 15 2HD ARG 15 -0.804 -10.649 -0.449
109 HD3 ARG 15 1HD ARG 15 -1.347 -10.994 1.202
110 HE ARG 15 HE ARG 15 -3.413 -9.828 0.754
111 HH11 ARG 15 1HH2 ARG 15 -1.225 -9.896 -1.979
112 HH12 ARG 15 2HH2 ARG 15 -2.448 -9.493 -3.123
113 HH21 ARG 15 1HH1 ARG 15 -4.997 -9.250 -0.754
114 HH22 ARG 15 2HH1 ARG 15 -4.591 -9.126 -2.432
115 H TRP 16 H TRP 16 0.192 -6.472 0.422
116 HA TRP 16 HA TRP 16 2.598 -5.997 1.851
117 HB2 TRP 16 2HB TRP 16 2.379 -6.235 -0.617
118 HB3 TRP 16 1HB TRP 16 1.591 -4.655 -0.684
119 HD1 TRP 16 HD TRP 16 4.923 -6.292 0.262
120 HE1 TRP 16 1HE TRP 16 6.774 -4.520 0.115
121 HE3 TRP 16 3HE TRP 16 2.107 -2.155 -0.724
122 HZ2 TRP 16 2HZ TRP 16 7.038 -1.700 -0.384
123 HZ3 TRP 16 3HZ TRP 16 3.186 0.054 -1.042
124 HH2 TRP 16 HH TRP 16 5.640 0.280 -0.871
125 H CYS 17 H CYS 17 0.170 -3.632 0.721
126 HA CYS 17 HA CYS 17 1.275 -1.311 1.959
127 HB2 CYS 17 2HB CYS 17 -0.462 -0.909 0.447
128 HB3 CYS 17 1HB CYS 17 -1.405 -2.274 1.022
129 H ARG 18 H ARG 18 -1.168 -3.641 3.101
130 HA ARG 18 HA ARG 18 -1.774 -2.629 5.640
131 HB2 ARG 18 2HB ARG 18 -1.796 -5.166 4.206
132 HB3 ARG 18 1HB ARG 18 -1.553 -5.403 5.932
133 HG2 ARG 18 2HG ARG 18 -3.561 -4.294 6.488
134 HG3 ARG 18 1HG ARG 18 -3.683 -3.538 4.899
135 HD2 ARG 18 2HD ARG 18 -3.585 -6.471 4.768
136 HD3 ARG 18 1HD ARG 18 -5.000 -5.856 5.634
137 HE ARG 18 HE ARG 18 -4.376 -5.394 2.792
138 HH11 ARG 18 1HH2 ARG 18 -6.176 -4.449 5.614
139 HH12 ARG 18 2HH2 ARG 18 -7.425 -3.676 4.718
140 HH21 ARG 18 1HH1 ARG 18 -6.027 -4.387 1.612
141 HH22 ARG 18 2HH1 ARG 18 -7.346 -3.635 2.450
142 H ASP 19 H ASP 19 1.105 -4.534 4.688
143 HA ASP 19 HA ASP 19 2.148 -4.424 7.470
144 HB2 ASP 19 2HB ASP 19 2.151 -6.500 6.057
145 HB3 ASP 19 1HB ASP 19 3.294 -5.700 4.973
146 H HIS 20 H HIS 20 2.923 -3.113 4.241
147 HA HIS 20 HA HIS 20 5.389 -1.835 5.352
148 HB2 HIS 20 2HB HIS 20 4.299 -2.542 2.650
149 HB3 HIS 20 1HB HIS 20 5.467 -1.229 2.755
150 HD1 HIS 20 1HD HIS 20 7.826 -1.843 3.894
151 HD2 HIS 20 2HD HIS 20 5.399 -5.091 2.900
152 HE1 HIS 20 1HE HIS 20 9.313 -3.899 3.936
153 H SER 21 H SER 21 2.126 -0.961 4.584
154 HA SER 21 HA SER 21 2.950 1.918 4.422
155 HB2 SER 21 2HB SER 21 1.626 0.507 2.582
156 HB3 SER 21 1HB SER 21 0.250 0.916 3.598
157 HG SER 21 HG SER 21 2.134 2.722 2.429
158 H ARG 22 H ARG 22 1.338 3.444 5.387
159 HA ARG 22 HA ARG 22 0.388 2.425 8.022
160 HB2 ARG 22 2HB ARG 22 0.755 5.197 6.838
161 HB3 ARG 22 1HB ARG 22 0.270 4.878 8.502
162 HG2 ARG 22 2HG ARG 22 2.427 4.636 9.090
163 HG3 ARG 22 1HG ARG 22 2.580 3.295 7.955
164 HD2 ARG 22 2HD ARG 22 3.163 4.827 6.141
165 HD3 ARG 22 1HD ARG 22 2.873 6.220 7.193
166 HE ARG 22 HE ARG 22 5.000 4.168 7.714
167 HH11 ARG 22 1HH2 ARG 22 3.712 7.410 8.009
168 HH12 ARG 22 2HH2 ARG 22 5.159 8.042 8.703
169 HH21 ARG 22 1HH1 ARG 22 6.862 5.012 8.641
170 HH22 ARG 22 2HH1 ARG 22 6.933 6.684 9.079
171 H CYS 23 H CYS 23 -0.848 3.533 4.939
172 HA CYS 23 HA CYS 23 -3.577 3.862 6.108
173 HB2 CYS 23 2HB CYS 23 -4.054 4.707 3.728
174 HB3 CYS 23 1HB CYS 23 -2.981 5.686 4.715
175 H CYS 24 H CYS 24 -5.366 2.942 4.552
176 HA CYS 24 HA CYS 24 -6.413 1.032 3.657
177 HB2 CYS 24 2HB CYS 24 -3.743 1.267 2.443
178 HB3 CYS 24 1HB CYS 24 -4.387 -0.369 2.400
179 HN1 NH2 25 2H CYS 24 -4.906 -0.795 6.681
180 HN2 NH2 25 1H CYS 24 -5.186 0.854 6.417
Start of MODEL 10
1 H1 VAL 1 1HT VAL 1 9.368 2.714 3.648
2 H2 VAL 1 2HT VAL 1 10.570 1.809 2.872
3 H3 VAL 1 3HT VAL 1 9.264 1.029 3.612
4 HA VAL 1 HA VAL 1 9.229 2.691 1.155
5 HB VAL 1 HB VAL 1 8.483 0.619 0.142
6 HG11 VAL 1 2HG1 VAL 1 10.996 0.973 1.190
7 HG12 VAL 1 3HG1 VAL 1 10.532 -0.319 0.082
8 HG13 VAL 1 1HG1 VAL 1 10.551 -0.614 1.826
9 HG21 VAL 1 1HG2 VAL 1 7.142 -0.651 1.462
10 HG22 VAL 1 2HG2 VAL 1 7.912 -0.102 2.944
11 HG23 VAL 1 3HG2 VAL 1 8.650 -1.396 2.005
12 H DAL 2 H ALA 2 6.710 1.649 0.311
13 HA DAL 2 HA ALA 2 4.883 3.033 2.237
14 HB1 DAL 2 1HB ALA 2 5.080 0.276 1.718
15 HB2 DAL 2 2HB ALA 2 3.622 0.822 0.894
16 HB3 DAL 2 3HB ALA 2 3.812 1.099 2.621
17 H GLU 3 H GLU 3 6.120 3.894 -0.247
18 HA GLU 3 HA GLU 3 4.420 5.522 -1.536
19 HB2 GLU 3 2HB GLU 3 5.905 5.034 -3.585
20 HB3 GLU 3 1HB GLU 3 6.718 5.478 -2.083
21 HG2 GLU 3 2HG GLU 3 7.176 3.130 -1.586
22 HG3 GLU 3 1HG GLU 3 6.246 2.620 -2.995
23 H ARG 4 H ARG 4 4.222 2.020 -2.092
24 HA ARG 4 HA ARG 4 2.743 2.378 -4.600
25 HB2 ARG 4 2HB ARG 4 3.148 -0.076 -2.883
26 HB3 ARG 4 1HB ARG 4 2.648 -0.058 -4.563
27 HG2 ARG 4 2HG ARG 4 5.311 0.823 -3.436
28 HG3 ARG 4 1HG ARG 4 4.994 -0.540 -4.502
29 HD2 ARG 4 2HD ARG 4 4.446 0.895 -6.342
30 HD3 ARG 4 1HD ARG 4 4.395 2.322 -5.293
31 HE ARG 4 HE ARG 4 6.783 2.313 -5.172
32 HH11 ARG 4 1HH2 ARG 4 5.512 -0.457 -6.868
33 HH12 ARG 4 2HH2 ARG 4 7.065 -0.979 -7.411
34 HH21 ARG 4 1HH1 ARG 4 8.796 1.611 -5.877
35 HH22 ARG 4 2HH1 ARG 4 8.924 0.182 -6.846
36 H CYS 5 H CYS 5 1.764 1.921 -1.220
37 HA CYS 5 HA CYS 5 -0.887 0.959 -1.942
38 HB2 CYS 5 2HB CYS 5 0.253 0.417 0.160
39 HB3 CYS 5 1HB CYS 5 0.165 2.110 0.643
40 H CYS 6 H CYS 6 -0.260 3.884 -0.008
41 HA CYS 6 HA CYS 6 -2.708 5.119 -0.370
42 HB2 CYS 6 2HB CYS 6 0.018 5.870 0.360
43 HB3 CYS 6 1HB CYS 6 -0.883 7.214 -0.345
44 H LYS 7 H LYS 7 0.021 5.198 -2.668
45 HA LYS 7 HA LYS 7 -1.123 7.191 -4.436
46 HB2 LYS 7 2HB LYS 7 0.890 4.963 -4.851
47 HB3 LYS 7 1HB LYS 7 0.563 6.237 -6.025
48 HG2 LYS 7 2HG LYS 7 0.991 7.605 -3.633
49 HG3 LYS 7 1HG LYS 7 2.202 6.321 -3.623
50 HD2 LYS 7 2HD LYS 7 1.719 8.314 -5.861
51 HD3 LYS 7 1HD LYS 7 3.085 8.318 -4.749
52 HE2 LYS 7 2HE LYS 7 2.447 6.047 -6.676
53 HE3 LYS 7 1HE LYS 7 3.691 7.289 -6.931
54 HZ1 LYS 7 3HZ LYS 7 3.526 5.393 -4.642
55 HZ2 LYS 7 1HZ LYS 7 4.641 6.674 -4.760
56 HZ3 LYS 7 2HZ LYS 7 4.694 5.398 -5.878
57 H ASN 8 H ASN 8 -1.107 3.632 -4.426
58 HA ASN 8 HA ASN 8 -2.537 3.343 -6.916
59 HB2 ASN 8 2HB ASN 8 -1.536 1.672 -4.701
60 HB3 ASN 8 1HB ASN 8 -2.864 0.989 -5.615
61 HD21 ASN 8 1HD2 ASN 8 0.476 1.313 -5.587
62 HD22 ASN 8 2HD2 ASN 8 0.785 0.947 -7.217
63 H GLY 9 H GLY 9 -3.608 3.974 -3.700
64 HA2 GLY 9 2HA GLY 9 -5.769 4.158 -2.785
65 HA3 GLY 9 1HA GLY 9 -6.316 4.371 -4.447
66 H LYS 10 H LYS 10 -7.516 2.763 -5.336
67 HA LYS 10 HA LYS 10 -8.409 0.525 -3.800
68 HB2 LYS 10 2HB LYS 10 -8.449 1.199 -6.750
69 HB3 LYS 10 1HB LYS 10 -9.240 -0.237 -6.109
70 HG2 LYS 10 2HG LYS 10 -9.841 2.645 -5.366
71 HG3 LYS 10 1HG LYS 10 -10.888 1.546 -6.260
72 HD2 LYS 10 2HD LYS 10 -9.980 1.136 -3.390
73 HD3 LYS 10 1HD LYS 10 -11.562 1.742 -3.871
74 HE2 LYS 10 2HE LYS 10 -10.480 -0.961 -4.763
75 HE3 LYS 10 1HE LYS 10 -11.535 -0.739 -3.354
76 HZ1 LYS 10 3HZ LYS 10 -13.070 0.496 -4.871
77 HZ2 LYS 10 1HZ LYS 10 -12.942 -1.157 -5.194
78 HZ3 LYS 10 2HZ LYS 10 -12.127 -0.041 -6.178
79 H ARG 11 H ARG 11 -5.606 0.942 -5.806
80 HA ARG 11 HA ARG 11 -5.096 -1.983 -5.926
81 HB2 ARG 11 2HB ARG 11 -3.508 0.420 -6.890
82 HB3 ARG 11 1HB ARG 11 -3.119 -1.259 -7.233
83 HG2 ARG 11 2HG ARG 11 -5.057 -1.564 -8.558
84 HG3 ARG 11 1HG ARG 11 -5.820 -0.107 -7.929
85 HD2 ARG 11 2HD ARG 11 -4.857 0.131 -10.278
86 HD3 ARG 11 1HD ARG 11 -4.240 1.312 -9.110
87 HE ARG 11 HE ARG 11 -2.150 0.169 -9.065
88 HH11 ARG 11 1HH2 ARG 11 -4.580 -1.606 -10.820
89 HH12 ARG 11 2HH2 ARG 11 -3.442 -2.681 -11.552
90 HH21 ARG 11 1HH1 ARG 11 -0.677 -1.252 -10.015
91 HH22 ARG 11 2HH1 ARG 11 -1.236 -2.483 -11.099
92 H GLY 12 H GLY 12 -4.474 0.620 -3.840
93 HA2 GLY 12 2HA GLY 12 -1.893 -0.237 -2.850
94 HA3 GLY 12 1HA GLY 12 -2.948 0.951 -2.085
95 H CYS 13 H CYS 13 -5.204 -0.386 -1.426
96 HA CYS 13 HA CYS 13 -4.653 -1.787 0.925
97 HB2 CYS 13 2HB CYS 13 -6.913 -1.473 -0.944
98 HB3 CYS 13 1HB CYS 13 -7.008 -2.918 0.059
99 H GLY 14 H GLY 14 -3.374 -3.556 1.107
100 HA2 GLY 14 2HA GLY 14 -4.064 -6.096 -0.023
101 HA3 GLY 14 1HA GLY 14 -2.706 -5.411 -0.920
102 H ARG 15 H ARG 15 -2.297 -7.737 0.504
103 HA ARG 15 HA ARG 15 -1.507 -7.687 3.187
104 HB2 ARG 15 2HB ARG 15 -0.010 -8.963 0.862
105 HB3 ARG 15 1HB ARG 15 0.031 -9.494 2.542
106 HG2 ARG 15 2HG ARG 15 -2.457 -9.888 2.402
107 HG3 ARG 15 1HG ARG 15 -2.358 -9.537 0.676
108 HD2 ARG 15 2HD ARG 15 -0.907 -11.773 2.129
109 HD3 ARG 15 1HD ARG 15 -2.241 -11.954 0.980
110 HE ARG 15 HE ARG 15 -0.779 -11.075 -0.796
111 HH11 ARG 15 1HH2 ARG 15 0.791 -11.722 2.249
112 HH12 ARG 15 2HH2 ARG 15 2.356 -11.854 1.543
113 HH21 ARG 15 1HH1 ARG 15 1.286 -11.272 -1.689
114 HH22 ARG 15 2HH1 ARG 15 2.638 -11.610 -0.663
115 H TRP 16 H TRP 16 0.501 -6.757 0.365
116 HA TRP 16 HA TRP 16 2.860 -6.018 1.797
117 HB2 TRP 16 2HB TRP 16 2.587 -6.299 -0.681
118 HB3 TRP 16 1HB TRP 16 1.702 -4.771 -0.721
119 HD1 TRP 16 HD TRP 16 5.170 -6.214 0.019
120 HE1 TRP 16 1HE TRP 16 6.891 -4.315 -0.102
121 HE3 TRP 16 3HE TRP 16 2.048 -2.223 -0.587
122 HZ2 TRP 16 2HZ TRP 16 6.950 -1.459 -0.431
123 HZ3 TRP 16 3HZ TRP 16 2.966 0.061 -0.812
124 HH2 TRP 16 HH TRP 16 5.409 0.440 -0.740
125 H CYS 17 H CYS 17 0.267 -3.831 0.587
126 HA CYS 17 HA CYS 17 1.134 -1.455 1.882
127 HB2 CYS 17 2HB CYS 17 -0.579 -1.362 0.234
128 HB3 CYS 17 1HB CYS 17 -1.555 -2.563 1.064
129 H ARG 18 H ARG 18 -1.138 -3.956 3.036
130 HA ARG 18 HA ARG 18 -1.868 -2.878 5.528
131 HB2 ARG 18 2HB ARG 18 -2.246 -5.192 4.138
132 HB3 ARG 18 1HB ARG 18 -1.198 -5.760 5.437
133 HG2 ARG 18 2HG ARG 18 -2.795 -4.481 7.018
134 HG3 ARG 18 1HG ARG 18 -3.911 -4.464 5.648
135 HD2 ARG 18 2HD ARG 18 -2.571 -7.027 6.464
136 HD3 ARG 18 1HD ARG 18 -4.031 -6.479 7.315
137 HE ARG 18 HE ARG 18 -4.933 -6.215 4.839
138 HH11 ARG 18 1HH2 ARG 18 -2.808 -8.698 6.082
139 HH12 ARG 18 2HH2 ARG 18 -3.308 -9.873 4.926
140 HH21 ARG 18 1HH1 ARG 18 -5.566 -7.754 3.328
141 HH22 ARG 18 2HH1 ARG 18 -4.871 -9.337 3.359
142 H ASP 19 H ASP 19 1.135 -4.580 4.646
143 HA ASP 19 HA ASP 19 2.102 -4.415 7.453
144 HB2 ASP 19 2HB ASP 19 2.389 -6.178 5.254
145 HB3 ASP 19 1HB ASP 19 3.985 -5.489 5.546
146 H HIS 20 H HIS 20 2.967 -3.179 4.221
147 HA HIS 20 HA HIS 20 5.276 -1.668 5.342
148 HB2 HIS 20 2HB HIS 20 4.167 -2.275 2.590
149 HB3 HIS 20 1HB HIS 20 5.504 -1.156 2.815
150 HD1 HIS 20 1HD HIS 20 7.708 -2.180 3.982
151 HD2 HIS 20 2HD HIS 20 4.881 -4.972 2.705
152 HE1 HIS 20 1HE HIS 20 8.892 -4.417 3.909
153 H SER 21 H SER 21 2.102 -1.033 3.878
154 HA SER 21 HA SER 21 2.584 1.877 3.789
155 HB2 SER 21 2HB SER 21 0.271 0.052 3.104
156 HB3 SER 21 1HB SER 21 0.258 1.779 2.805
157 HG SER 21 HG SER 21 1.978 1.541 1.418
158 H ARG 22 H ARG 22 1.181 3.405 4.842
159 HA ARG 22 HA ARG 22 0.352 2.580 7.568
160 HB2 ARG 22 2HB ARG 22 0.531 5.243 6.114
161 HB3 ARG 22 1HB ARG 22 0.094 5.072 7.812
162 HG2 ARG 22 2HG ARG 22 2.558 3.636 7.101
163 HG3 ARG 22 1HG ARG 22 2.671 5.381 6.859
164 HD2 ARG 22 2HD ARG 22 2.352 5.850 9.125
165 HD3 ARG 22 1HD ARG 22 1.447 4.354 9.406
166 HE ARG 22 HE ARG 22 3.490 3.178 9.612
167 HH11 ARG 22 1HH2 ARG 22 3.988 6.375 8.302
168 HH12 ARG 22 2HH2 ARG 22 5.693 6.350 8.579
169 HH21 ARG 22 1HH1 ARG 22 5.710 3.164 9.958
170 HH22 ARG 22 2HH1 ARG 22 6.665 4.538 9.518
171 H CYS 23 H CYS 23 -1.062 4.061 4.630
172 HA CYS 23 HA CYS 23 -3.756 4.145 5.732
173 HB2 CYS 23 2HB CYS 23 -4.228 4.320 3.105
174 HB3 CYS 23 1HB CYS 23 -3.542 5.667 3.996
175 H CYS 24 H CYS 24 -5.558 2.893 4.427
176 HA CYS 24 HA CYS 24 -6.553 0.812 3.921
177 HB2 CYS 24 2HB CYS 24 -3.819 0.798 2.757
178 HB3 CYS 24 1HB CYS 24 -4.579 -0.785 2.929
179 HN1 NH2 25 2H CYS 24 -5.050 -0.283 7.276
180 HN2 NH2 25 1H CYS 24 -5.396 1.262 6.661
Start of MODEL 11
1 H1 VAL 1 1HT VAL 1 10.488 3.086 -0.818
2 H2 VAL 1 2HT VAL 1 10.243 3.564 0.791
3 H3 VAL 1 3HT VAL 1 9.242 4.168 -0.436
4 HA VAL 1 HA VAL 1 8.626 1.719 -0.866
5 HB VAL 1 HB VAL 1 9.374 1.497 2.051
6 HG11 VAL 1 2HG1 VAL 1 8.566 -0.294 -0.172
7 HG12 VAL 1 3HG1 VAL 1 8.217 -0.405 1.553
8 HG13 VAL 1 1HG1 VAL 1 9.783 -0.930 0.937
9 HG21 VAL 1 1HG2 VAL 1 11.220 1.166 -0.318
10 HG22 VAL 1 2HG2 VAL 1 11.467 0.263 1.176
11 HG23 VAL 1 3HG2 VAL 1 11.518 2.024 1.193
12 H DAL 2 H ALA 2 6.829 0.872 0.982
13 HA DAL 2 HA ALA 2 5.556 2.961 2.516
14 HB1 DAL 2 1HB ALA 2 4.079 0.537 1.615
15 HB2 DAL 2 2HB ALA 2 4.232 1.233 3.226
16 HB3 DAL 2 3HB ALA 2 5.554 0.297 2.544
17 H GLU 3 H GLU 3 5.731 4.307 0.332
18 HA GLU 3 HA GLU 3 3.441 5.492 -0.402
19 HB2 GLU 3 2HB GLU 3 4.598 5.979 -2.578
20 HB3 GLU 3 1HB GLU 3 5.619 6.169 -1.155
21 HG2 GLU 3 2HG GLU 3 6.754 4.113 -1.554
22 HG3 GLU 3 1HG GLU 3 5.543 3.579 -2.708
23 H ARG 4 H ARG 4 4.466 2.475 -2.000
24 HA ARG 4 HA ARG 4 2.837 2.346 -4.208
25 HB2 ARG 4 2HB ARG 4 3.201 0.084 -2.233
26 HB3 ARG 4 1HB ARG 4 2.851 -0.077 -3.943
27 HG2 ARG 4 2HG ARG 4 5.392 0.891 -2.632
28 HG3 ARG 4 1HG ARG 4 5.173 -0.435 -3.771
29 HD2 ARG 4 2HD ARG 4 4.210 1.849 -5.117
30 HD3 ARG 4 1HD ARG 4 5.729 2.339 -4.344
31 HE ARG 4 HE ARG 4 5.565 -0.223 -5.880
32 HH11 ARG 4 1HH2 ARG 4 6.968 2.942 -5.359
33 HH12 ARG 4 2HH2 ARG 4 8.318 2.624 -6.382
34 HH21 ARG 4 1HH1 ARG 4 7.315 -0.583 -7.234
35 HH22 ARG 4 2HH1 ARG 4 8.501 0.650 -7.462
36 H CYS 5 H CYS 5 1.695 1.580 -0.893
37 HA CYS 5 HA CYS 5 -0.955 0.827 -1.676
38 HB2 CYS 5 2HB CYS 5 0.178 0.388 0.494
39 HB3 CYS 5 1HB CYS 5 0.001 2.094 0.898
40 H CYS 6 H CYS 6 -0.092 3.901 -0.007
41 HA CYS 6 HA CYS 6 -2.546 5.207 -0.537
42 HB2 CYS 6 2HB CYS 6 0.187 5.890 0.330
43 HB3 CYS 6 1HB CYS 6 -0.687 7.229 -0.413
44 H LYS 7 H LYS 7 0.405 5.040 -2.557
45 HA LYS 7 HA LYS 7 -0.431 6.982 -4.529
46 HB2 LYS 7 2HB LYS 7 1.375 4.543 -4.652
47 HB3 LYS 7 1HB LYS 7 1.264 5.748 -5.928
48 HG2 LYS 7 2HG LYS 7 1.658 7.268 -3.636
49 HG3 LYS 7 1HG LYS 7 2.701 5.865 -3.394
50 HD2 LYS 7 2HD LYS 7 2.647 7.507 -5.938
51 HD3 LYS 7 1HD LYS 7 3.818 7.745 -4.638
52 HE2 LYS 7 2HE LYS 7 4.176 5.121 -4.943
53 HE3 LYS 7 1HE LYS 7 3.562 5.463 -6.570
54 HZ1 LYS 7 3HZ LYS 7 6.112 5.893 -5.702
55 HZ2 LYS 7 1HZ LYS 7 5.433 7.442 -5.650
56 HZ3 LYS 7 2HZ LYS 7 5.411 6.558 -7.102
57 H ASN 8 H ASN 8 -0.895 3.484 -4.213
58 HA ASN 8 HA ASN 8 -2.203 3.190 -6.800
59 HB2 ASN 8 2HB ASN 8 -1.373 1.566 -4.482
60 HB3 ASN 8 1HB ASN 8 -2.741 0.931 -5.368
61 HD21 ASN 8 1HD2 ASN 8 0.590 0.922 -5.283
62 HD22 ASN 8 2HD2 ASN 8 0.910 0.485 -6.894
63 H GLY 9 H GLY 9 -3.290 4.146 -3.678
64 HA2 GLY 9 2HA GLY 9 -5.446 4.517 -2.811
65 HA3 GLY 9 1HA GLY 9 -5.933 4.717 -4.495
66 H LYS 10 H LYS 10 -7.338 3.242 -5.282
67 HA LYS 10 HA LYS 10 -8.457 1.136 -3.756
68 HB2 LYS 10 2HB LYS 10 -8.298 1.720 -6.715
69 HB3 LYS 10 1HB LYS 10 -9.234 0.364 -6.087
70 HG2 LYS 10 2HG LYS 10 -10.922 1.735 -5.518
71 HG3 LYS 10 1HG LYS 10 -9.830 2.729 -4.552
72 HD2 LYS 10 2HD LYS 10 -9.075 3.831 -6.704
73 HD3 LYS 10 1HD LYS 10 -10.389 2.986 -7.517
74 HE2 LYS 10 2HE LYS 10 -10.714 4.921 -5.192
75 HE3 LYS 10 1HE LYS 10 -11.117 5.256 -6.885
76 HZ1 LYS 10 3HZ LYS 10 -12.547 3.215 -6.794
77 HZ2 LYS 10 1HZ LYS 10 -13.100 4.520 -5.862
78 HZ3 LYS 10 2HZ LYS 10 -12.330 3.212 -5.110
79 H ARG 11 H ARG 11 -5.631 1.194 -5.794
80 HA ARG 11 HA ARG 11 -5.321 -1.743 -5.867
81 HB2 ARG 11 2HB ARG 11 -3.415 0.481 -6.678
82 HB3 ARG 11 1HB ARG 11 -3.340 -1.196 -7.177
83 HG2 ARG 11 2HG ARG 11 -5.736 -0.803 -8.117
84 HG3 ARG 11 1HG ARG 11 -5.337 0.909 -7.980
85 HD2 ARG 11 2HD ARG 11 -4.678 0.308 -10.207
86 HD3 ARG 11 1HD ARG 11 -3.164 0.306 -9.284
87 HE ARG 11 HE ARG 11 -3.192 -2.094 -9.257
88 HH11 ARG 11 1HH2 ARG 11 -6.038 -0.713 -10.741
89 HH12 ARG 11 2HH2 ARG 11 -6.544 -2.209 -11.445
90 HH21 ARG 11 1HH1 ARG 11 -3.889 -4.050 -10.127
91 HH22 ARG 11 2HH1 ARG 11 -5.322 -4.109 -11.095
92 H GLY 12 H GLY 12 -4.499 0.783 -3.728
93 HA2 GLY 12 2HA GLY 12 -1.992 -0.171 -2.729
94 HA3 GLY 12 1HA GLY 12 -3.070 0.932 -1.881
95 H CYS 13 H CYS 13 -5.337 -0.688 -1.526
96 HA CYS 13 HA CYS 13 -4.758 -2.094 0.821
97 HB2 CYS 13 2HB CYS 13 -6.958 -2.055 -1.177
98 HB3 CYS 13 1HB CYS 13 -6.946 -3.415 -0.054
99 H GLY 14 H GLY 14 -3.455 -3.776 1.130
100 HA2 GLY 14 2HA GLY 14 -3.783 -6.318 -0.111
101 HA3 GLY 14 1HA GLY 14 -2.407 -5.503 -0.860
102 H ARG 15 H ARG 15 -1.978 -7.819 0.632
103 HA ARG 15 HA ARG 15 -1.419 -7.552 3.393
104 HB2 ARG 15 2HB ARG 15 0.246 -9.052 1.340
105 HB3 ARG 15 1HB ARG 15 0.046 -9.453 3.046
106 HG2 ARG 15 2HG ARG 15 -2.566 -9.375 2.158
107 HG3 ARG 15 1HG ARG 15 -1.718 -10.045 0.766
108 HD2 ARG 15 2HD ARG 15 -1.645 -11.120 3.607
109 HD3 ARG 15 1HD ARG 15 -2.383 -11.895 2.198
110 HE ARG 15 HE ARG 15 -0.138 -12.129 1.205
111 HH11 ARG 15 1HH2 ARG 15 -0.224 -11.084 4.539
112 HH12 ARG 15 2HH2 ARG 15 1.386 -11.613 4.868
113 HH21 ARG 15 1HH1 ARG 15 1.966 -12.780 1.644
114 HH22 ARG 15 2HH1 ARG 15 2.634 -12.561 3.222
115 H TRP 16 H TRP 16 0.667 -6.710 0.591
116 HA TRP 16 HA TRP 16 2.996 -5.952 2.064
117 HB2 TRP 16 2HB TRP 16 2.731 -6.256 -0.431
118 HB3 TRP 16 1HB TRP 16 1.892 -4.703 -0.472
119 HD1 TRP 16 HD TRP 16 5.303 -6.257 0.258
120 HE1 TRP 16 1HE TRP 16 7.085 -4.426 0.153
121 HE3 TRP 16 3HE TRP 16 2.319 -2.146 -0.281
122 HZ2 TRP 16 2HZ TRP 16 7.255 -1.582 -0.143
123 HZ3 TRP 16 3HZ TRP 16 3.332 0.114 -0.472
124 HH2 TRP 16 HH TRP 16 5.780 0.395 -0.403
125 H CYS 17 H CYS 17 0.322 -3.908 0.826
126 HA CYS 17 HA CYS 17 1.122 -1.478 2.075
127 HB2 CYS 17 2HB CYS 17 -0.545 -1.374 0.400
128 HB3 CYS 17 1HB CYS 17 -1.474 -2.672 1.122
129 H ARG 18 H ARG 18 -1.176 -3.991 3.146
130 HA ARG 18 HA ARG 18 -1.961 -2.926 5.619
131 HB2 ARG 18 2HB ARG 18 -1.982 -5.429 4.206
132 HB3 ARG 18 1HB ARG 18 -1.583 -5.745 5.890
133 HG2 ARG 18 2HG ARG 18 -3.620 -4.990 6.656
134 HG3 ARG 18 1HG ARG 18 -3.788 -3.811 5.355
135 HD2 ARG 18 2HD ARG 18 -5.414 -5.464 4.854
136 HD3 ARG 18 1HD ARG 18 -4.056 -5.881 3.795
137 HE ARG 18 HE ARG 18 -3.359 -7.361 5.885
138 HH11 ARG 18 1HH2 ARG 18 -6.555 -6.772 4.642
139 HH12 ARG 18 2HH2 ARG 18 -7.200 -8.257 5.259
140 HH21 ARG 18 1HH1 ARG 18 -4.200 -9.278 6.696
141 HH22 ARG 18 2HH1 ARG 18 -5.858 -9.687 6.418
142 H ASP 19 H ASP 19 1.061 -4.636 4.836
143 HA ASP 19 HA ASP 19 1.923 -4.525 7.676
144 HB2 ASP 19 2HB ASP 19 2.192 -6.559 6.235
145 HB3 ASP 19 1HB ASP 19 3.279 -5.636 5.197
146 H HIS 20 H HIS 20 3.080 -3.399 4.477
147 HA HIS 20 HA HIS 20 5.217 -1.778 5.719
148 HB2 HIS 20 2HB HIS 20 4.224 -2.303 2.901
149 HB3 HIS 20 1HB HIS 20 5.552 -1.196 3.234
150 HD1 HIS 20 1HD HIS 20 7.822 -2.196 3.837
151 HD2 HIS 20 2HD HIS 20 4.812 -5.066 3.493
152 HE1 HIS 20 1HE HIS 20 8.971 -4.456 3.872
153 H SER 21 H SER 21 2.454 -1.076 3.575
154 HA SER 21 HA SER 21 2.632 1.792 3.873
155 HB2 SER 21 2HB SER 21 0.405 -0.048 2.963
156 HB3 SER 21 1HB SER 21 0.496 1.669 2.623
157 HG SER 21 HG SER 21 2.333 1.310 1.396
158 H ARG 22 H ARG 22 0.965 3.154 4.842
159 HA ARG 22 HA ARG 22 -0.221 1.947 7.306
160 HB2 ARG 22 2HB ARG 22 0.482 4.810 6.558
161 HB3 ARG 22 1HB ARG 22 -0.170 4.301 8.117
162 HG2 ARG 22 2HG ARG 22 2.410 3.207 6.953
163 HG3 ARG 22 1HG ARG 22 2.347 4.560 8.085
164 HD2 ARG 22 2HD ARG 22 1.852 3.203 9.878
165 HD3 ARG 22 1HD ARG 22 0.854 2.120 8.898
166 HE ARG 22 HE ARG 22 3.855 2.126 8.785
167 HH11 ARG 22 1HH2 ARG 22 0.776 0.473 8.556
168 HH12 ARG 22 2HH2 ARG 22 1.495 -1.070 8.302
169 HH21 ARG 22 1HH1 ARG 22 4.757 0.078 8.455
170 HH22 ARG 22 2HH1 ARG 22 3.727 -1.298 8.217
171 H CYS 23 H CYS 23 -1.064 2.946 4.188
172 HA CYS 23 HA CYS 23 -3.692 4.097 4.862
173 HB2 CYS 23 2HB CYS 23 -2.990 3.151 2.104
174 HB3 CYS 23 1HB CYS 23 -3.772 4.645 2.601
175 H CYS 24 H CYS 24 -5.535 2.928 3.362
176 HA CYS 24 HA CYS 24 -6.863 1.020 2.966
177 HB2 CYS 24 2HB CYS 24 -4.739 0.090 2.022
178 HB3 CYS 24 1HB CYS 24 -4.303 -0.490 3.625
179 HN1 NH2 25 2H CYS 24 -8.027 -0.198 6.064
180 HN2 NH2 25 1H CYS 24 -8.346 0.085 4.422
Start of MODEL 12
1 H1 VAL 1 1HT VAL 1 9.799 3.270 -0.760
2 H2 VAL 1 2HT VAL 1 10.971 2.055 -0.602
3 H3 VAL 1 3HT VAL 1 10.606 3.059 0.716
4 HA VAL 1 HA VAL 1 8.856 0.989 -0.501
5 HB VAL 1 HB VAL 1 9.736 1.289 2.386
6 HG11 VAL 1 2HG1 VAL 1 8.347 -0.515 2.455
7 HG12 VAL 1 3HG1 VAL 1 9.661 -1.386 1.656
8 HG13 VAL 1 1HG1 VAL 1 8.359 -0.680 0.696
9 HG21 VAL 1 1HG2 VAL 1 11.832 1.308 1.122
10 HG22 VAL 1 2HG2 VAL 1 11.290 -0.047 0.129
11 HG23 VAL 1 3HG2 VAL 1 11.621 -0.285 1.845
12 H DAL 2 H ALA 2 6.940 0.764 1.323
13 HA DAL 2 HA ALA 2 5.927 2.888 2.818
14 HB1 DAL 2 1HB ALA 2 4.012 1.392 1.096
15 HB2 DAL 2 2HB ALA 2 4.012 1.615 2.846
16 HB3 DAL 2 3HB ALA 2 5.085 0.422 2.115
17 H GLU 3 H GLU 3 5.510 2.359 -0.682
18 HA GLU 3 HA GLU 3 4.546 5.194 -0.943
19 HB2 GLU 3 2HB GLU 3 6.065 5.354 -2.871
20 HB3 GLU 3 1HB GLU 3 6.968 4.831 -1.450
21 HG2 GLU 3 2HG GLU 3 6.417 2.413 -2.306
22 HG3 GLU 3 1HG GLU 3 6.112 3.213 -3.846
23 H ARG 4 H ARG 4 4.005 1.891 -1.817
24 HA ARG 4 HA ARG 4 2.670 2.463 -4.365
25 HB2 ARG 4 2HB ARG 4 2.762 -0.059 -2.693
26 HB3 ARG 4 1HB ARG 4 2.382 0.042 -4.405
27 HG2 ARG 4 2HG ARG 4 5.036 0.645 -3.071
28 HG3 ARG 4 1HG ARG 4 4.681 -0.675 -4.179
29 HD2 ARG 4 2HD ARG 4 4.203 0.986 -5.975
30 HD3 ARG 4 1HD ARG 4 4.664 2.281 -4.858
31 HE ARG 4 HE ARG 4 6.942 1.544 -4.967
32 HH11 ARG 4 1HH2 ARG 4 4.752 -0.629 -6.589
33 HH12 ARG 4 2HH2 ARG 4 6.006 -1.558 -7.325
34 HH21 ARG 4 1HH1 ARG 4 8.589 0.315 -5.922
35 HH22 ARG 4 2HH1 ARG 4 8.192 -1.015 -6.952
36 H CYS 5 H CYS 5 1.624 1.467 -1.107
37 HA CYS 5 HA CYS 5 -1.064 0.927 -1.563
38 HB2 CYS 5 2HB CYS 5 0.221 0.558 0.496
39 HB3 CYS 5 1HB CYS 5 0.169 2.285 0.835
40 H CYS 6 H CYS 6 -0.602 3.879 0.310
41 HA CYS 6 HA CYS 6 -2.986 5.117 -0.295
42 HB2 CYS 6 2HB CYS 6 -0.339 5.889 0.694
43 HB3 CYS 6 1HB CYS 6 -1.225 7.228 -0.022
44 H LYS 7 H LYS 7 -0.224 4.955 -2.468
45 HA LYS 7 HA LYS 7 -1.117 7.151 -4.194
46 HB2 LYS 7 2HB LYS 7 0.911 4.912 -4.396
47 HB3 LYS 7 1HB LYS 7 0.675 6.098 -5.679
48 HG2 LYS 7 2HG LYS 7 0.890 7.527 -3.224
49 HG3 LYS 7 1HG LYS 7 2.207 6.363 -3.278
50 HD2 LYS 7 2HD LYS 7 1.531 8.204 -5.586
51 HD3 LYS 7 1HD LYS 7 2.739 8.596 -4.364
52 HE2 LYS 7 2HE LYS 7 2.794 6.135 -6.164
53 HE3 LYS 7 1HE LYS 7 3.826 7.568 -6.344
54 HZ1 LYS 7 3HZ LYS 7 3.739 5.646 -4.080
55 HZ2 LYS 7 1HZ LYS 7 4.457 7.181 -3.939
56 HZ3 LYS 7 2HZ LYS 7 5.067 6.065 -5.060
57 H ASN 8 H ASN 8 -1.288 3.604 -4.241
58 HA ASN 8 HA ASN 8 -2.519 3.535 -6.886
59 HB2 ASN 8 2HB ASN 8 -1.500 1.709 -4.818
60 HB3 ASN 8 1HB ASN 8 -2.795 1.053 -5.799
61 HD21 ASN 8 1HD2 ASN 8 0.523 1.485 -5.712
62 HD22 ASN 8 2HD2 ASN 8 0.857 1.291 -7.362
63 H GLY 9 H GLY 9 -3.793 3.990 -3.747
64 HA2 GLY 9 2HA GLY 9 -6.030 4.108 -3.019
65 HA3 GLY 9 1HA GLY 9 -6.498 4.055 -4.717
66 H LYS 10 H LYS 10 -7.635 2.287 -5.292
67 HA LYS 10 HA LYS 10 -8.102 0.079 -3.529
68 HB2 LYS 10 2HB LYS 10 -9.066 1.093 -5.975
69 HB3 LYS 10 1HB LYS 10 -8.517 -0.548 -6.332
70 HG2 LYS 10 2HG LYS 10 -10.559 -1.165 -5.531
71 HG3 LYS 10 1HG LYS 10 -9.808 -0.937 -3.950
72 HD2 LYS 10 2HD LYS 10 -10.712 1.273 -3.737
73 HD3 LYS 10 1HD LYS 10 -11.201 1.311 -5.431
74 HE2 LYS 10 2HE LYS 10 -13.198 0.876 -4.100
75 HE3 LYS 10 1HE LYS 10 -12.772 -0.634 -4.919
76 HZ1 LYS 10 3HZ LYS 10 -11.695 -1.432 -2.980
77 HZ2 LYS 10 1HZ LYS 10 -13.204 -0.862 -2.487
78 HZ3 LYS 10 2HZ LYS 10 -11.813 0.072 -2.198
79 H ARG 11 H ARG 11 -5.722 0.661 -6.016
80 HA ARG 11 HA ARG 11 -4.782 -2.122 -6.113
81 HB2 ARG 11 2HB ARG 11 -3.427 0.438 -7.060
82 HB3 ARG 11 1HB ARG 11 -3.047 -1.200 -7.564
83 HG2 ARG 11 2HG ARG 11 -5.157 -1.465 -8.678
84 HG3 ARG 11 1HG ARG 11 -5.799 0.011 -7.955
85 HD2 ARG 11 2HD ARG 11 -3.408 -0.036 -9.827
86 HD3 ARG 11 1HD ARG 11 -5.069 0.314 -10.351
87 HE ARG 11 HE ARG 11 -4.624 1.989 -8.140
88 HH11 ARG 11 1HH2 ARG 11 -3.213 1.453 -11.291
89 HH12 ARG 11 2HH2 ARG 11 -2.651 3.081 -11.449
90 HH21 ARG 11 1HH1 ARG 11 -3.924 4.137 -8.411
91 HH22 ARG 11 2HH1 ARG 11 -3.067 4.586 -9.847
92 H GLY 12 H GLY 12 -4.323 0.569 -4.072
93 HA2 GLY 12 2HA GLY 12 -1.692 -0.280 -3.063
94 HA3 GLY 12 1HA GLY 12 -2.633 1.095 -2.485
95 H CYS 13 H CYS 13 -5.079 -0.711 -2.287
96 HA CYS 13 HA CYS 13 -4.694 -1.476 0.485
97 HB2 CYS 13 2HB CYS 13 -6.801 -0.970 -1.334
98 HB3 CYS 13 1HB CYS 13 -7.045 -2.611 -0.747
99 H GLY 14 H GLY 14 -2.771 -2.932 -0.244
100 HA2 GLY 14 2HA GLY 14 -3.814 -5.698 -0.760
101 HA3 GLY 14 1HA GLY 14 -2.275 -5.136 -1.415
102 H ARG 15 H ARG 15 -2.415 -7.402 0.245
103 HA ARG 15 HA ARG 15 -2.050 -7.107 3.000
104 HB2 ARG 15 2HB ARG 15 -0.358 -9.072 2.634
105 HB3 ARG 15 1HB ARG 15 -2.048 -9.304 2.199
106 HG2 ARG 15 2HG ARG 15 -0.525 -8.148 -0.001
107 HG3 ARG 15 1HG ARG 15 0.157 -9.683 0.538
108 HD2 ARG 15 2HD ARG 15 -2.801 -9.685 0.354
109 HD3 ARG 15 1HD ARG 15 -1.968 -9.503 -1.202
110 HE ARG 15 HE ARG 15 -0.544 -11.519 0.062
111 HH11 ARG 15 1HH2 ARG 15 -3.902 -10.950 -0.679
112 HH12 ARG 15 2HH2 ARG 15 -4.286 -12.627 -0.829
113 HH21 ARG 15 1HH1 ARG 15 -1.050 -13.731 -0.186
114 HH22 ARG 15 2HH1 ARG 15 -2.672 -14.200 -0.563
115 H TRP 16 H TRP 16 0.337 -6.469 0.438
116 HA TRP 16 HA TRP 16 2.641 -6.013 2.059
117 HB2 TRP 16 2HB TRP 16 2.503 -6.147 -0.441
118 HB3 TRP 16 1HB TRP 16 1.746 -4.554 -0.446
119 HD1 TRP 16 HD TRP 16 5.010 -6.311 0.469
120 HE1 TRP 16 1HE TRP 16 6.905 -4.584 0.453
121 HE3 TRP 16 3HE TRP 16 2.309 -2.039 -0.294
122 HZ2 TRP 16 2HZ TRP 16 7.242 -1.759 0.149
123 HZ3 TRP 16 3HZ TRP 16 3.457 0.157 -0.438
124 HH2 TRP 16 HH TRP 16 5.911 0.298 -0.221
125 H CYS 17 H CYS 17 0.223 -3.673 0.830
126 HA CYS 17 HA CYS 17 1.174 -1.379 2.199
127 HB2 CYS 17 2HB CYS 17 -0.448 -1.072 0.515
128 HB3 CYS 17 1HB CYS 17 -1.472 -2.344 1.149
129 H ARG 18 H ARG 18 -1.313 -3.761 3.179
130 HA ARG 18 HA ARG 18 -2.112 -2.741 5.656
131 HB2 ARG 18 2HB ARG 18 -2.601 -4.950 4.277
132 HB3 ARG 18 1HB ARG 18 -1.419 -5.648 5.380
133 HG2 ARG 18 2HG ARG 18 -2.841 -5.567 7.138
134 HG3 ARG 18 1HG ARG 18 -3.411 -3.952 6.720
135 HD2 ARG 18 2HD ARG 18 -4.243 -6.372 5.101
136 HD3 ARG 18 1HD ARG 18 -5.141 -5.864 6.546
137 HE ARG 18 HE ARG 18 -4.723 -3.539 4.987
138 HH11 ARG 18 1HH2 ARG 18 -6.352 -6.610 4.754
139 HH12 ARG 18 2HH2 ARG 18 -7.600 -6.007 3.719
140 HH21 ARG 18 1HH1 ARG 18 -6.368 -2.753 3.679
141 HH22 ARG 18 2HH1 ARG 18 -7.616 -3.815 3.110
142 H ASP 19 H ASP 19 0.873 -4.527 4.908
143 HA ASP 19 HA ASP 19 1.716 -4.401 7.743
144 HB2 ASP 19 2HB ASP 19 1.865 -6.420 6.157
145 HB3 ASP 19 1HB ASP 19 3.207 -5.572 5.385
146 H HIS 20 H HIS 20 2.929 -3.318 4.552
147 HA HIS 20 HA HIS 20 5.147 -1.818 5.819
148 HB2 HIS 20 2HB HIS 20 4.221 -2.522 3.050
149 HB3 HIS 20 1HB HIS 20 5.404 -1.235 3.258
150 HD1 HIS 20 1HD HIS 20 7.707 -1.891 4.348
151 HD2 HIS 20 2HD HIS 20 5.215 -5.129 3.485
152 HE1 HIS 20 1HE HIS 20 9.159 -3.964 4.455
153 H SER 21 H SER 21 2.025 -1.061 4.314
154 HA SER 21 HA SER 21 2.681 1.829 4.224
155 HB2 SER 21 2HB SER 21 0.354 0.116 3.336
156 HB3 SER 21 1HB SER 21 0.366 1.856 3.140
157 HG SER 21 HG SER 21 2.382 0.091 2.172
158 H ARG 22 H ARG 22 0.908 3.363 5.012
159 HA ARG 22 HA ARG 22 0.150 2.636 7.798
160 HB2 ARG 22 2HB ARG 22 0.213 5.264 6.268
161 HB3 ARG 22 1HB ARG 22 -0.163 5.109 7.982
162 HG2 ARG 22 2HG ARG 22 2.381 3.847 7.076
163 HG3 ARG 22 1HG ARG 22 2.343 5.608 7.078
164 HD2 ARG 22 2HD ARG 22 3.136 4.845 9.275
165 HD3 ARG 22 1HD ARG 22 1.503 5.512 9.472
166 HE ARG 22 HE ARG 22 0.648 3.310 9.767
167 HH11 ARG 22 1HH2 ARG 22 4.005 3.297 8.850
168 HH12 ARG 22 2HH2 ARG 22 4.216 1.622 9.210
169 HH21 ARG 22 1HH1 ARG 22 0.938 1.111 10.184
170 HH22 ARG 22 2HH1 ARG 22 2.493 0.388 9.956
171 H CYS 23 H CYS 23 -1.285 3.765 4.738
172 HA CYS 23 HA CYS 23 -3.998 3.714 5.936
173 HB2 CYS 23 2HB CYS 23 -4.583 4.436 3.529
174 HB3 CYS 23 1HB CYS 23 -3.600 5.547 4.465
175 H CYS 24 H CYS 24 -5.722 2.481 4.651
176 HA CYS 24 HA CYS 24 -6.559 0.419 3.847
177 HB2 CYS 24 2HB CYS 24 -4.067 1.023 2.376
178 HB3 CYS 24 1HB CYS 24 -4.547 -0.670 2.334
179 HN1 NH2 25 2H CYS 24 -4.288 -1.114 6.616
180 HN2 NH2 25 1H CYS 24 -4.690 0.515 6.385
Start of MODEL 13
1 H1 VAL 1 1HT VAL 1 10.039 0.958 3.061
2 H2 VAL 1 2HT VAL 1 9.017 2.057 3.843
3 H3 VAL 1 3HT VAL 1 10.337 2.617 2.939
4 HA VAL 1 HA VAL 1 9.032 2.789 1.153
5 HB VAL 1 HB VAL 1 8.295 0.644 0.134
6 HG11 VAL 1 2HG1 VAL 1 11.016 0.633 1.467
7 HG12 VAL 1 3HG1 VAL 1 10.618 1.153 -0.171
8 HG13 VAL 1 1HG1 VAL 1 10.530 -0.553 0.252
9 HG21 VAL 1 1HG2 VAL 1 9.176 -1.372 1.772
10 HG22 VAL 1 2HG2 VAL 1 7.489 -0.869 1.640
11 HG23 VAL 1 3HG2 VAL 1 8.491 -0.245 2.949
12 H DAL 2 H ALA 2 6.607 2.158 0.319
13 HA DAL 2 HA ALA 2 4.829 2.974 2.525
14 HB1 DAL 2 1HB ALA 2 4.053 0.928 2.961
15 HB2 DAL 2 2HB ALA 2 5.282 0.272 1.891
16 HB3 DAL 2 3HB ALA 2 3.682 0.655 1.264
17 H GLU 3 H GLU 3 5.637 4.011 -0.129
18 HA GLU 3 HA GLU 3 3.660 5.485 -1.101
19 HB2 GLU 3 2HB GLU 3 4.641 4.836 -3.461
20 HB3 GLU 3 1HB GLU 3 5.642 5.652 -2.265
21 HG2 GLU 3 2HG GLU 3 7.054 3.889 -2.160
22 HG3 GLU 3 1HG GLU 3 5.726 2.781 -1.850
23 H ARG 4 H ARG 4 3.966 2.191 -2.449
24 HA ARG 4 HA ARG 4 1.972 2.114 -4.299
25 HB2 ARG 4 2HB ARG 4 2.386 -0.065 -2.248
26 HB3 ARG 4 1HB ARG 4 1.817 -0.266 -3.902
27 HG2 ARG 4 2HG ARG 4 4.199 1.145 -4.192
28 HG3 ARG 4 1HG ARG 4 4.541 0.004 -2.903
29 HD2 ARG 4 2HD ARG 4 3.056 -1.175 -5.165
30 HD3 ARG 4 1HD ARG 4 4.691 -0.623 -5.567
31 HE ARG 4 HE ARG 4 4.038 -2.846 -3.801
32 HH11 ARG 4 1HH2 ARG 4 6.278 -0.241 -4.343
33 HH12 ARG 4 2HH2 ARG 4 7.619 -1.096 -3.672
34 HH21 ARG 4 1HH1 ARG 4 5.786 -3.947 -2.899
35 HH22 ARG 4 2HH1 ARG 4 7.345 -3.197 -2.857
36 H CYS 5 H CYS 5 1.183 1.242 -0.884
37 HA CYS 5 HA CYS 5 -1.567 0.873 -1.221
38 HB2 CYS 5 2HB CYS 5 -0.079 0.620 0.821
39 HB3 CYS 5 1HB CYS 5 -0.389 2.328 1.127
40 H CYS 6 H CYS 6 -0.035 4.018 -0.394
41 HA CYS 6 HA CYS 6 -2.588 5.420 -0.692
42 HB2 CYS 6 2HB CYS 6 0.248 6.039 0.016
43 HB3 CYS 6 1HB CYS 6 -0.750 7.381 -0.541
44 H LYS 7 H LYS 7 0.186 4.734 -2.771
45 HA LYS 7 HA LYS 7 -0.441 6.746 -4.797
46 HB2 LYS 7 2HB LYS 7 1.297 4.256 -4.658
47 HB3 LYS 7 1HB LYS 7 1.218 5.282 -6.088
48 HG2 LYS 7 2HG LYS 7 1.625 6.916 -3.743
49 HG3 LYS 7 1HG LYS 7 2.847 5.646 -3.820
50 HD2 LYS 7 2HD LYS 7 2.115 7.414 -6.167
51 HD3 LYS 7 1HD LYS 7 3.467 7.743 -5.089
52 HE2 LYS 7 2HE LYS 7 3.290 5.004 -6.308
53 HE3 LYS 7 1HE LYS 7 3.843 6.340 -7.325
54 HZ1 LYS 7 3HZ LYS 7 4.990 6.498 -4.727
55 HZ2 LYS 7 1HZ LYS 7 5.760 6.441 -6.238
56 HZ3 LYS 7 2HZ LYS 7 5.341 4.997 -5.439
57 H ASN 8 H ASN 8 -1.005 3.230 -4.441
58 HA ASN 8 HA ASN 8 -2.257 2.997 -7.069
59 HB2 ASN 8 2HB ASN 8 -1.441 1.320 -4.806
60 HB3 ASN 8 1HB ASN 8 -2.859 0.734 -5.656
61 HD21 ASN 8 1HD2 ASN 8 0.515 0.835 -5.762
62 HD22 ASN 8 2HD2 ASN 8 0.728 0.337 -7.368
63 H GLY 9 H GLY 9 -3.461 4.160 -4.121
64 HA2 GLY 9 2HA GLY 9 -5.659 4.531 -3.364
65 HA3 GLY 9 1HA GLY 9 -6.118 4.436 -5.062
66 H LYS 10 H LYS 10 -7.468 2.815 -5.574
67 HA LYS 10 HA LYS 10 -8.375 0.859 -3.711
68 HB2 LYS 10 2HB LYS 10 -8.715 1.559 -6.552
69 HB3 LYS 10 1HB LYS 10 -8.982 -0.150 -6.204
70 HG2 LYS 10 2HG LYS 10 -10.873 0.253 -4.992
71 HG3 LYS 10 1HG LYS 10 -10.218 1.721 -4.266
72 HD2 LYS 10 2HD LYS 10 -11.447 2.942 -5.703
73 HD3 LYS 10 1HD LYS 10 -10.521 2.256 -7.037
74 HE2 LYS 10 2HE LYS 10 -12.939 0.880 -5.799
75 HE3 LYS 10 1HE LYS 10 -13.006 1.874 -7.272
76 HZ1 LYS 10 3HZ LYS 10 -11.511 -0.643 -6.818
77 HZ2 LYS 10 1HZ LYS 10 -11.071 0.431 -8.058
78 HZ3 LYS 10 2HZ LYS 10 -12.615 -0.275 -8.055
79 H ARG 11 H ARG 11 -5.743 0.819 -6.008
80 HA ARG 11 HA ARG 11 -5.323 -2.096 -5.785
81 HB2 ARG 11 2HB ARG 11 -3.567 0.101 -6.941
82 HB3 ARG 11 1HB ARG 11 -3.367 -1.627 -7.205
83 HG2 ARG 11 2HG ARG 11 -5.211 -1.774 -8.606
84 HG3 ARG 11 1HG ARG 11 -6.026 -0.404 -7.855
85 HD2 ARG 11 2HD ARG 11 -5.275 0.882 -9.554
86 HD3 ARG 11 1HD ARG 11 -3.629 0.643 -8.951
87 HE ARG 11 HE ARG 11 -4.978 -1.036 -11.019
88 HH11 ARG 11 1HH2 ARG 11 -2.115 -0.163 -9.188
89 HH12 ARG 11 2HH2 ARG 11 -1.050 -0.982 -10.277
90 HH21 ARG 11 1HH1 ARG 11 -3.545 -2.107 -12.389
91 HH22 ARG 11 2HH1 ARG 11 -1.844 -2.079 -12.062
92 H GLY 12 H GLY 12 -4.431 0.713 -4.064
93 HA2 GLY 12 2HA GLY 12 -1.903 -0.105 -3.011
94 HA3 GLY 12 1HA GLY 12 -2.966 1.104 -2.297
95 H CYS 13 H CYS 13 -5.189 -0.311 -1.592
96 HA CYS 13 HA CYS 13 -4.457 -1.562 0.834
97 HB2 CYS 13 2HB CYS 13 -6.742 -0.701 -0.318
98 HB3 CYS 13 1HB CYS 13 -6.963 -2.443 -0.509
99 H GLY 14 H GLY 14 -3.249 -3.380 1.006
100 HA2 GLY 14 2HA GLY 14 -4.089 -5.921 -0.004
101 HA3 GLY 14 1HA GLY 14 -2.780 -5.306 -1.014
102 H ARG 15 H ARG 15 -2.213 -7.574 0.345
103 HA ARG 15 HA ARG 15 -1.329 -7.550 2.990
104 HB2 ARG 15 2HB ARG 15 0.324 -9.274 2.166
105 HB3 ARG 15 1HB ARG 15 -1.334 -9.534 1.633
106 HG2 ARG 15 2HG ARG 15 -0.767 -8.386 -0.530
107 HG3 ARG 15 1HG ARG 15 0.910 -8.297 0.010
108 HD2 ARG 15 2HD ARG 15 0.543 -10.259 -1.457
109 HD3 ARG 15 1HD ARG 15 0.984 -10.769 0.178
110 HE ARG 15 HE ARG 15 -1.803 -10.792 -0.927
111 HH11 ARG 15 1HH2 ARG 15 0.502 -11.695 1.525
112 HH12 ARG 15 2HH2 ARG 15 -0.530 -12.881 2.233
113 HH21 ARG 15 1HH1 ARG 15 -3.150 -12.342 0.008
114 HH22 ARG 15 2HH1 ARG 15 -2.607 -13.251 1.380
115 H TRP 16 H TRP 16 0.628 -6.464 0.153
116 HA TRP 16 HA TRP 16 2.985 -5.817 1.647
117 HB2 TRP 16 2HB TRP 16 2.716 -5.961 -0.862
118 HB3 TRP 16 1HB TRP 16 1.889 -4.400 -0.807
119 HD1 TRP 16 HD TRP 16 5.286 -6.014 -0.052
120 HE1 TRP 16 1HE TRP 16 7.081 -4.168 -0.048
121 HE3 TRP 16 3HE TRP 16 2.327 -1.897 -0.593
122 HZ2 TRP 16 2HZ TRP 16 7.238 -1.303 -0.259
123 HZ3 TRP 16 3HZ TRP 16 3.326 0.367 -0.692
124 HH2 TRP 16 HH TRP 16 5.773 0.665 -0.529
125 H CYS 17 H CYS 17 0.325 -3.691 0.554
126 HA CYS 17 HA CYS 17 1.138 -1.333 1.918
127 HB2 CYS 17 2HB CYS 17 -0.579 -0.981 0.418
128 HB3 CYS 17 1HB CYS 17 -1.356 -2.505 0.786
129 H ARG 18 H ARG 18 -1.095 -3.905 2.932
130 HA ARG 18 HA ARG 18 -1.878 -3.045 5.466
131 HB2 ARG 18 2HB ARG 18 -1.772 -5.439 3.919
132 HB3 ARG 18 1HB ARG 18 -1.233 -5.839 5.546
133 HG2 ARG 18 2HG ARG 18 -3.247 -4.711 6.467
134 HG3 ARG 18 1HG ARG 18 -3.796 -4.393 4.821
135 HD2 ARG 18 2HD ARG 18 -4.922 -6.391 5.390
136 HD3 ARG 18 1HD ARG 18 -3.512 -6.975 4.490
137 HE ARG 18 HE ARG 18 -2.763 -6.702 7.231
138 HH11 ARG 18 1HH2 ARG 18 -4.779 -8.644 5.151
139 HH12 ARG 18 2HH2 ARG 18 -4.728 -10.025 6.190
140 HH21 ARG 18 1HH1 ARG 18 -2.716 -8.510 8.584
141 HH22 ARG 18 2HH1 ARG 18 -3.556 -9.952 8.132
142 H ASP 19 H ASP 19 1.182 -4.693 4.611
143 HA ASP 19 HA ASP 19 2.115 -4.558 7.429
144 HB2 ASP 19 2HB ASP 19 2.309 -6.430 5.531
145 HB3 ASP 19 1HB ASP 19 3.780 -5.532 5.157
146 H HIS 20 H HIS 20 3.056 -3.229 4.231
147 HA HIS 20 HA HIS 20 5.286 -1.725 5.499
148 HB2 HIS 20 2HB HIS 20 4.301 -2.266 2.700
149 HB3 HIS 20 1HB HIS 20 5.605 -1.123 3.008
150 HD1 HIS 20 1HD HIS 20 7.791 -2.141 4.186
151 HD2 HIS 20 2HD HIS 20 5.044 -4.955 2.807
152 HE1 HIS 20 1HE HIS 20 9.001 -4.369 4.152
153 H SER 21 H SER 21 2.267 -1.038 3.713
154 HA SER 21 HA SER 21 2.676 1.854 3.761
155 HB2 SER 21 2HB SER 21 0.401 0.014 3.042
156 HB3 SER 21 1HB SER 21 0.318 1.749 2.820
157 HG SER 21 HG SER 21 2.041 1.629 1.392
158 H ARG 22 H ARG 22 1.355 3.399 4.789
159 HA ARG 22 HA ARG 22 0.338 2.611 7.455
160 HB2 ARG 22 2HB ARG 22 0.722 5.276 6.036
161 HB3 ARG 22 1HB ARG 22 0.166 5.110 7.702
162 HG2 ARG 22 2HG ARG 22 2.228 4.196 8.428
163 HG3 ARG 22 1HG ARG 22 2.738 3.824 6.782
164 HD2 ARG 22 2HD ARG 22 3.914 5.780 6.924
165 HD3 ARG 22 1HD ARG 22 2.341 6.567 6.666
166 HE ARG 22 HE ARG 22 2.263 6.100 9.352
167 HH11 ARG 22 1HH2 ARG 22 4.677 7.465 7.262
168 HH12 ARG 22 2HH2 ARG 22 5.392 8.428 8.500
169 HH21 ARG 22 1HH1 ARG 22 3.195 7.371 10.980
170 HH22 ARG 22 2HH1 ARG 22 4.551 8.386 10.609
171 H CYS 23 H CYS 23 -0.791 3.849 4.327
172 HA CYS 23 HA CYS 23 -3.538 4.286 5.143
173 HB2 CYS 23 2HB CYS 23 -3.488 3.570 2.384
174 HB3 CYS 23 1HB CYS 23 -3.575 5.184 3.061
175 H CYS 24 H CYS 24 -5.326 2.785 4.871
176 HA CYS 24 HA CYS 24 -6.329 0.645 4.962
177 HB2 CYS 24 2HB CYS 24 -4.311 0.630 2.829
178 HB3 CYS 24 1HB CYS 24 -4.711 -0.974 3.444
179 HN1 NH2 25 2H CYS 24 -3.622 -0.136 7.570
180 HN2 NH2 25 1H CYS 24 -4.250 1.341 7.026
Start of MODEL 14
1 H1 VAL 1 1HT VAL 1 9.974 1.288 0.791
2 H2 VAL 1 2HT VAL 1 10.031 2.983 0.752
3 H3 VAL 1 3HT VAL 1 10.865 2.077 -0.412
4 HA VAL 1 HA VAL 1 9.019 2.715 -1.603
5 HB VAL 1 HB VAL 1 8.194 0.137 -0.212
6 HG11 VAL 1 2HG1 VAL 1 6.583 1.211 -1.844
7 HG12 VAL 1 3HG1 VAL 1 7.123 -0.403 -2.299
8 HG13 VAL 1 1HG1 VAL 1 7.817 1.014 -3.085
9 HG21 VAL 1 1HG2 VAL 1 9.526 -0.767 -2.324
10 HG22 VAL 1 2HG2 VAL 1 10.385 -0.368 -0.835
11 HG23 VAL 1 3HG2 VAL 1 10.368 0.773 -2.180
12 H DAL 2 H ALA 2 6.830 1.022 0.538
13 HA DAL 2 HA ALA 2 5.939 3.330 2.047
14 HB1 DAL 2 1HB ALA 2 5.827 0.795 2.539
15 HB2 DAL 2 2HB ALA 2 4.368 0.815 1.556
16 HB3 DAL 2 3HB ALA 2 4.452 1.789 3.014
17 H GLU 3 H GLU 3 5.803 4.416 -0.360
18 HA GLU 3 HA GLU 3 3.316 5.537 -0.685
19 HB2 GLU 3 2HB GLU 3 4.144 6.342 -2.762
20 HB3 GLU 3 1HB GLU 3 5.552 6.110 -1.726
21 HG2 GLU 3 2HG GLU 3 6.091 4.009 -2.823
22 HG3 GLU 3 1HG GLU 3 4.582 4.047 -3.731
23 H ARG 4 H ARG 4 4.324 2.559 -2.392
24 HA ARG 4 HA ARG 4 2.425 2.250 -4.347
25 HB2 ARG 4 2HB ARG 4 3.144 0.073 -2.380
26 HB3 ARG 4 1HB ARG 4 2.596 -0.163 -4.024
27 HG2 ARG 4 2HG ARG 4 5.222 0.969 -3.068
28 HG3 ARG 4 1HG ARG 4 4.938 -0.432 -4.097
29 HD2 ARG 4 2HD ARG 4 4.186 0.982 -5.924
30 HD3 ARG 4 1HD ARG 4 4.291 2.419 -4.887
31 HE ARG 4 HE ARG 4 6.778 0.910 -4.941
32 HH11 ARG 4 1HH2 ARG 4 4.840 3.261 -6.631
33 HH12 ARG 4 2HH2 ARG 4 6.196 4.035 -7.358
34 HH21 ARG 4 1HH1 ARG 4 8.544 1.954 -5.856
35 HH22 ARG 4 2HH1 ARG 4 8.298 3.310 -6.898
36 H CYS 5 H CYS 5 1.721 1.864 -0.866
37 HA CYS 5 HA CYS 5 -0.936 0.789 -1.302
38 HB2 CYS 5 2HB CYS 5 0.203 0.392 0.759
39 HB3 CYS 5 1HB CYS 5 0.476 2.114 1.012
40 H CYS 6 H CYS 6 -0.150 3.947 0.203
41 HA CYS 6 HA CYS 6 -2.719 5.087 -0.318
42 HB2 CYS 6 2HB CYS 6 -0.109 5.829 0.769
43 HB3 CYS 6 1HB CYS 6 -0.893 7.179 -0.050
44 H LYS 7 H LYS 7 0.156 4.855 -2.383
45 HA LYS 7 HA LYS 7 -0.578 7.016 -4.186
46 HB2 LYS 7 2HB LYS 7 1.318 4.695 -4.112
47 HB3 LYS 7 1HB LYS 7 1.010 5.453 -5.667
48 HG2 LYS 7 2HG LYS 7 1.746 7.093 -3.244
49 HG3 LYS 7 1HG LYS 7 2.974 6.382 -4.292
50 HD2 LYS 7 2HD LYS 7 0.716 8.047 -5.396
51 HD3 LYS 7 1HD LYS 7 2.222 8.779 -4.842
52 HE2 LYS 7 2HE LYS 7 2.320 6.453 -6.767
53 HE3 LYS 7 1HE LYS 7 2.015 8.093 -7.372
54 HZ1 LYS 7 3HZ LYS 7 4.359 7.113 -5.817
55 HZ2 LYS 7 1HZ LYS 7 3.996 8.769 -5.945
56 HZ3 LYS 7 2HZ LYS 7 4.340 7.869 -7.344
57 H ASN 8 H ASN 8 -0.892 3.460 -4.326
58 HA ASN 8 HA ASN 8 -2.371 3.558 -6.854
59 HB2 ASN 8 2HB ASN 8 -1.152 1.593 -5.032
60 HB3 ASN 8 1HB ASN 8 -2.565 1.012 -5.894
61 HD21 ASN 8 1HD2 ASN 8 0.754 1.443 -6.161
62 HD22 ASN 8 2HD2 ASN 8 0.892 1.352 -7.856
63 H GLY 9 H GLY 9 -3.294 3.955 -3.614
64 HA2 GLY 9 2HA GLY 9 -5.387 3.928 -2.543
65 HA3 GLY 9 1HA GLY 9 -6.047 4.224 -4.153
66 H LYS 10 H LYS 10 -7.255 2.626 -5.058
67 HA LYS 10 HA LYS 10 -7.945 0.262 -3.612
68 HB2 LYS 10 2HB LYS 10 -8.201 0.994 -6.539
69 HB3 LYS 10 1HB LYS 10 -9.059 -0.342 -5.770
70 HG2 LYS 10 2HG LYS 10 -9.623 1.763 -4.076
71 HG3 LYS 10 1HG LYS 10 -9.603 2.545 -5.656
72 HD2 LYS 10 2HD LYS 10 -11.391 1.309 -6.459
73 HD3 LYS 10 1HD LYS 10 -11.057 -0.059 -5.401
74 HE2 LYS 10 2HE LYS 10 -12.191 2.618 -4.492
75 HE3 LYS 10 1HE LYS 10 -13.103 1.104 -4.655
76 HZ1 LYS 10 3HZ LYS 10 -11.069 0.243 -3.201
77 HZ2 LYS 10 1HZ LYS 10 -12.474 0.884 -2.501
78 HZ3 LYS 10 2HZ LYS 10 -11.094 1.853 -2.667
79 H ARG 11 H ARG 11 -5.379 0.914 -5.896
80 HA ARG 11 HA ARG 11 -4.748 -1.971 -6.242
81 HB2 ARG 11 2HB ARG 11 -3.301 0.543 -7.148
82 HB3 ARG 11 1HB ARG 11 -2.931 -1.093 -7.665
83 HG2 ARG 11 2HG ARG 11 -4.907 -1.304 -8.896
84 HG3 ARG 11 1HG ARG 11 -5.713 -0.015 -8.007
85 HD2 ARG 11 2HD ARG 11 -3.249 0.631 -9.608
86 HD3 ARG 11 1HD ARG 11 -4.814 0.480 -10.433
87 HE ARG 11 HE ARG 11 -5.491 2.064 -8.328
88 HH11 ARG 11 1HH2 ARG 11 -2.805 2.182 -10.533
89 HH12 ARG 11 2HH2 ARG 11 -2.659 3.902 -10.457
90 HH21 ARG 11 1HH1 ARG 11 -5.271 4.287 -8.193
91 HH22 ARG 11 2HH1 ARG 11 -4.047 5.098 -9.113
92 H GLY 12 H GLY 12 -3.977 0.592 -4.119
93 HA2 GLY 12 2HA GLY 12 -1.385 -0.505 -3.277
94 HA3 GLY 12 1HA GLY 12 -2.196 0.899 -2.585
95 H CYS 13 H CYS 13 -4.762 -0.647 -2.298
96 HA CYS 13 HA CYS 13 -4.397 -1.597 0.396
97 HB2 CYS 13 2HB CYS 13 -6.521 -1.384 -1.649
98 HB3 CYS 13 1HB CYS 13 -6.752 -2.713 -0.518
99 H GLY 14 H GLY 14 -3.729 -3.588 1.087
100 HA2 GLY 14 2HA GLY 14 -4.315 -6.112 0.178
101 HA3 GLY 14 1HA GLY 14 -2.962 -5.634 -0.849
102 H ARG 15 H ARG 15 -2.475 -7.749 0.747
103 HA ARG 15 HA ARG 15 -1.655 -7.424 3.394
104 HB2 ARG 15 2HB ARG 15 -0.028 -9.257 2.858
105 HB3 ARG 15 1HB ARG 15 -1.646 -9.564 2.228
106 HG2 ARG 15 2HG ARG 15 -0.970 -8.868 -0.009
107 HG3 ARG 15 1HG ARG 15 0.608 -8.346 0.583
108 HD2 ARG 15 2HD ARG 15 0.615 -10.615 -0.550
109 HD3 ARG 15 1HD ARG 15 1.224 -10.648 1.111
110 HE ARG 15 HE ARG 15 -1.547 -11.450 0.303
111 HH11 ARG 15 1HH2 ARG 15 1.068 -11.437 2.627
112 HH12 ARG 15 2HH2 ARG 15 0.344 -12.646 3.621
113 HH21 ARG 15 1HH1 ARG 15 -2.476 -13.029 1.629
114 HH22 ARG 15 2HH1 ARG 15 -1.660 -13.543 3.065
115 H TRP 16 H TRP 16 0.090 -6.396 0.451
116 HA TRP 16 HA TRP 16 2.601 -5.753 1.657
117 HB2 TRP 16 2HB TRP 16 1.972 -5.832 -0.813
118 HB3 TRP 16 1HB TRP 16 1.225 -4.250 -0.586
119 HD1 TRP 16 HD TRP 16 4.610 -6.007 -0.498
120 HE1 TRP 16 1HE TRP 16 6.461 -4.241 -0.643
121 HE3 TRP 16 3HE TRP 16 1.806 -1.757 -0.175
122 HZ2 TRP 16 2HZ TRP 16 6.734 -1.407 -0.647
123 HZ3 TRP 16 3HZ TRP 16 2.905 0.472 -0.263
124 HH2 TRP 16 HH TRP 16 5.355 0.638 -0.492
125 H CYS 17 H CYS 17 -0.140 -3.550 0.900
126 HA CYS 17 HA CYS 17 0.876 -1.287 2.286
127 HB2 CYS 17 2HB CYS 17 -0.994 -1.136 0.745
128 HB3 CYS 17 1HB CYS 17 -1.947 -2.239 1.732
129 H ARG 18 H ARG 18 -1.391 -3.821 3.387
130 HA ARG 18 HA ARG 18 -1.855 -3.010 6.022
131 HB2 ARG 18 2HB ARG 18 -2.230 -5.264 4.416
132 HB3 ARG 18 1HB ARG 18 -1.314 -5.860 5.799
133 HG2 ARG 18 2HG ARG 18 -2.958 -4.802 7.328
134 HG3 ARG 18 1HG ARG 18 -3.893 -4.264 5.931
135 HD2 ARG 18 2HD ARG 18 -4.756 -6.411 6.930
136 HD3 ARG 18 1HD ARG 18 -4.258 -6.582 5.242
137 HE ARG 18 HE ARG 18 -2.214 -7.676 5.967
138 HH11 ARG 18 1HH2 ARG 18 -4.382 -6.847 8.572
139 HH12 ARG 18 2HH2 ARG 18 -3.631 -7.924 9.695
140 HH21 ARG 18 1HH1 ARG 18 -1.221 -9.040 7.445
141 HH22 ARG 18 2HH1 ARG 18 -1.834 -9.162 9.058
142 H ASP 19 H ASP 19 1.058 -4.583 4.717
143 HA ASP 19 HA ASP 19 2.276 -4.769 7.427
144 HB2 ASP 19 2HB ASP 19 2.313 -6.267 5.054
145 HB3 ASP 19 1HB ASP 19 3.921 -5.554 5.167
146 H HIS 20 H HIS 20 3.022 -3.312 4.244
147 HA HIS 20 HA HIS 20 5.322 -1.841 5.414
148 HB2 HIS 20 2HB HIS 20 4.159 -2.201 2.642
149 HB3 HIS 20 1HB HIS 20 5.565 -1.193 2.962
150 HD1 HIS 20 1HD HIS 20 7.798 -2.368 3.248
151 HD2 HIS 20 2HD HIS 20 4.586 -5.022 3.236
152 HE1 HIS 20 1HE HIS 20 8.792 -4.697 3.148
153 H SER 21 H SER 21 1.994 -1.151 4.566
154 HA SER 21 HA SER 21 2.587 1.790 4.558
155 HB2 SER 21 2HB SER 21 0.323 0.123 3.450
156 HB3 SER 21 1HB SER 21 0.389 1.868 3.339
157 HG SER 21 HG SER 21 2.679 0.559 2.503
158 H ARG 22 H ARG 22 0.687 3.109 5.388
159 HA ARG 22 HA ARG 22 -0.331 1.945 7.953
160 HB2 ARG 22 2HB ARG 22 0.057 4.817 7.018
161 HB3 ARG 22 1HB ARG 22 -0.474 4.334 8.627
162 HG2 ARG 22 2HG ARG 22 2.189 3.571 7.381
163 HG3 ARG 22 1HG ARG 22 1.957 4.849 8.571
164 HD2 ARG 22 2HD ARG 22 1.128 1.973 9.094
165 HD3 ARG 22 1HD ARG 22 2.714 2.613 9.549
166 HE ARG 22 HE ARG 22 0.134 3.344 10.767
167 HH11 ARG 22 1HH2 ARG 22 3.478 4.170 10.266
168 HH12 ARG 22 2HH2 ARG 22 3.570 5.170 11.672
169 HH21 ARG 22 1HH1 ARG 22 0.263 4.643 12.606
170 HH22 ARG 22 2HH1 ARG 22 1.747 5.442 13.000
171 H CYS 23 H CYS 23 -1.322 4.027 5.178
172 HA CYS 23 HA CYS 23 -4.118 4.063 5.962
173 HB2 CYS 23 2HB CYS 23 -4.374 4.881 3.541
174 HB3 CYS 23 1HB CYS 23 -3.371 5.854 4.605
175 H CYS 24 H CYS 24 -5.716 3.293 3.983
176 HA CYS 24 HA CYS 24 -6.689 1.462 2.854
177 HB2 CYS 24 2HB CYS 24 -3.815 1.141 2.558
178 HB3 CYS 24 1HB CYS 24 -4.600 -0.430 2.685
179 HN1 NH2 25 2H CYS 24 -6.324 -0.037 6.486
180 HN2 NH2 25 1H CYS 24 -5.882 1.526 6.003
Start of MODEL 15
1 H1 VAL 1 1HT VAL 1 10.464 2.019 2.099
2 H2 VAL 1 2HT VAL 1 10.942 0.591 1.322
3 H3 VAL 1 3HT VAL 1 9.821 0.531 2.592
4 HA VAL 1 HA VAL 1 9.269 2.022 0.088
5 HB VAL 1 HB VAL 1 8.068 -0.025 -0.625
6 HG11 VAL 1 2HG1 VAL 1 10.808 0.400 -0.717
7 HG12 VAL 1 3HG1 VAL 1 9.918 -0.801 -1.650
8 HG13 VAL 1 1HG1 VAL 1 10.675 -1.262 -0.128
9 HG21 VAL 1 1HG2 VAL 1 7.587 -1.011 1.553
10 HG22 VAL 1 2HG2 VAL 1 9.305 -1.243 1.865
11 HG23 VAL 1 3HG2 VAL 1 8.507 -2.167 0.592
12 H DAL 2 H ALA 2 6.747 1.999 -0.102
13 HA DAL 2 HA ALA 2 5.670 2.778 2.533
14 HB1 DAL 2 1HB ALA 2 4.358 0.962 2.862
15 HB2 DAL 2 2HB ALA 2 5.429 0.170 1.705
16 HB3 DAL 2 3HB ALA 2 3.904 0.870 1.165
17 H GLU 3 H GLU 3 6.083 3.954 -0.264
18 HA GLU 3 HA GLU 3 3.836 5.685 -0.316
19 HB2 GLU 3 2HB GLU 3 4.910 6.519 -2.342
20 HB3 GLU 3 1HB GLU 3 6.140 6.110 -1.149
21 HG2 GLU 3 2HG GLU 3 6.572 3.971 -2.265
22 HG3 GLU 3 1HG GLU 3 5.261 4.269 -3.401
23 H ARG 4 H ARG 4 4.380 2.738 -2.244
24 HA ARG 4 HA ARG 4 2.544 3.099 -4.327
25 HB2 ARG 4 2HB ARG 4 3.136 0.596 -2.725
26 HB3 ARG 4 1HB ARG 4 2.394 0.606 -4.317
27 HG2 ARG 4 2HG ARG 4 5.143 1.660 -3.617
28 HG3 ARG 4 1HG ARG 4 4.797 0.173 -4.497
29 HD2 ARG 4 2HD ARG 4 3.408 1.817 -6.065
30 HD3 ARG 4 1HD ARG 4 4.557 3.011 -5.439
31 HE ARG 4 HE ARG 4 5.235 0.621 -7.059
32 HH11 ARG 4 1HH2 ARG 4 6.279 3.327 -5.135
33 HH12 ARG 4 2HH2 ARG 4 7.903 3.275 -5.716
34 HH21 ARG 4 1HH1 ARG 4 7.364 0.541 -7.805
35 HH22 ARG 4 2HH1 ARG 4 8.528 1.682 -7.220
36 H CYS 5 H CYS 5 1.739 1.773 -1.086
37 HA CYS 5 HA CYS 5 -0.871 0.947 -1.417
38 HB2 CYS 5 2HB CYS 5 0.314 0.769 0.653
39 HB3 CYS 5 1HB CYS 5 0.402 2.518 0.826
40 H CYS 6 H CYS 6 -0.630 4.087 0.211
41 HA CYS 6 HA CYS 6 -3.180 5.004 -0.470
42 HB2 CYS 6 2HB CYS 6 -0.647 6.085 0.537
43 HB3 CYS 6 1HB CYS 6 -1.635 7.294 -0.277
44 H LYS 7 H LYS 7 -0.305 4.996 -2.490
45 HA LYS 7 HA LYS 7 -1.200 6.958 -4.446
46 HB2 LYS 7 2HB LYS 7 1.024 5.212 -3.901
47 HB3 LYS 7 1HB LYS 7 0.524 4.974 -5.574
48 HG2 LYS 7 2HG LYS 7 1.523 6.885 -6.149
49 HG3 LYS 7 1HG LYS 7 0.489 7.777 -5.031
50 HD2 LYS 7 2HD LYS 7 2.733 8.210 -4.330
51 HD3 LYS 7 1HD LYS 7 2.087 7.038 -3.183
52 HE2 LYS 7 2HE LYS 7 4.108 6.009 -3.712
53 HE3 LYS 7 1HE LYS 7 3.069 5.294 -4.958
54 HZ1 LYS 7 3HZ LYS 7 3.940 6.591 -6.573
55 HZ2 LYS 7 1HZ LYS 7 5.297 6.601 -5.542
56 HZ3 LYS 7 2HZ LYS 7 4.213 7.919 -5.544
57 H ASN 8 H ASN 8 -1.006 3.403 -4.523
58 HA ASN 8 HA ASN 8 -2.444 3.082 -6.984
59 HB2 ASN 8 2HB ASN 8 -1.335 1.466 -4.786
60 HB3 ASN 8 1HB ASN 8 -2.642 0.704 -5.669
61 HD21 ASN 8 1HD2 ASN 8 0.665 1.349 -5.740
62 HD22 ASN 8 2HD2 ASN 8 0.970 0.955 -7.354
63 H GLY 9 H GLY 9 -3.590 3.615 -3.768
64 HA2 GLY 9 2HA GLY 9 -5.767 3.738 -2.908
65 HA3 GLY 9 1HA GLY 9 -6.313 3.815 -4.582
66 H LYS 10 H LYS 10 -7.410 2.099 -5.355
67 HA LYS 10 HA LYS 10 -8.096 -0.144 -3.721
68 HB2 LYS 10 2HB LYS 10 -8.796 0.979 -6.219
69 HB3 LYS 10 1HB LYS 10 -8.304 -0.680 -6.559
70 HG2 LYS 10 2HG LYS 10 -10.095 -1.566 -5.492
71 HG3 LYS 10 1HG LYS 10 -10.001 -0.409 -4.165
72 HD2 LYS 10 2HD LYS 10 -10.818 1.265 -6.098
73 HD3 LYS 10 1HD LYS 10 -11.477 -0.233 -6.754
74 HE2 LYS 10 2HE LYS 10 -13.244 0.491 -5.378
75 HE3 LYS 10 1HE LYS 10 -12.362 -0.585 -4.277
76 HZ1 LYS 10 3HZ LYS 10 -12.245 2.370 -4.436
77 HZ2 LYS 10 1HZ LYS 10 -11.016 1.482 -3.677
78 HZ3 LYS 10 2HZ LYS 10 -12.607 1.409 -3.090
79 H ARG 11 H ARG 11 -5.489 0.423 -5.986
80 HA ARG 11 HA ARG 11 -4.633 -2.401 -6.023
81 HB2 ARG 11 2HB ARG 11 -3.253 0.130 -6.992
82 HB3 ARG 11 1HB ARG 11 -2.802 -1.520 -7.412
83 HG2 ARG 11 2HG ARG 11 -4.814 -1.863 -8.652
84 HG3 ARG 11 1HG ARG 11 -5.562 -0.414 -7.982
85 HD2 ARG 11 2HD ARG 11 -4.848 0.608 -9.890
86 HD3 ARG 11 1HD ARG 11 -3.242 0.575 -9.149
87 HE ARG 11 HE ARG 11 -4.289 -1.414 -11.104
88 HH11 ARG 11 1HH2 ARG 11 -1.703 -0.240 -9.060
89 HH12 ARG 11 2HH2 ARG 11 -0.500 -1.223 -9.820
90 HH21 ARG 11 1HH1 ARG 11 -2.699 -2.663 -12.101
91 HH22 ARG 11 2HH1 ARG 11 -1.060 -2.583 -11.554
92 H GLY 12 H GLY 12 -4.144 0.410 -4.113
93 HA2 GLY 12 2HA GLY 12 -1.591 -0.421 -2.971
94 HA3 GLY 12 1HA GLY 12 -2.588 0.928 -2.427
95 H CYS 13 H CYS 13 -5.005 -0.334 -1.901
96 HA CYS 13 HA CYS 13 -4.595 -1.461 0.692
97 HB2 CYS 13 2HB CYS 13 -6.774 -0.935 -1.169
98 HB3 CYS 13 1HB CYS 13 -7.039 -2.426 -0.268
99 H GLY 14 H GLY 14 -3.425 -3.302 0.958
100 HA2 GLY 14 2HA GLY 14 -4.363 -5.852 0.132
101 HA3 GLY 14 1HA GLY 14 -3.089 -5.355 -0.979
102 H ARG 15 H ARG 15 -2.500 -7.538 0.439
103 HA ARG 15 HA ARG 15 -1.498 -7.439 3.039
104 HB2 ARG 15 2HB ARG 15 0.197 -9.149 2.121
105 HB3 ARG 15 1HB ARG 15 -1.508 -9.504 1.858
106 HG2 ARG 15 2HG ARG 15 -1.336 -9.272 -0.402
107 HG3 ARG 15 1HG ARG 15 -0.258 -7.887 -0.276
108 HD2 ARG 15 2HD ARG 15 1.618 -9.171 -0.418
109 HD3 ARG 15 1HD ARG 15 0.939 -10.452 0.602
110 HE ARG 15 HE ARG 15 0.733 -10.289 -2.310
111 HH11 ARG 15 1HH2 ARG 15 -0.751 -11.426 0.626
112 HH12 ARG 15 2HH2 ARG 15 -1.623 -12.692 -0.162
113 HH21 ARG 15 1HH1 ARG 15 -0.374 -11.966 -3.319
114 HH22 ARG 15 2HH1 ARG 15 -1.404 -13.008 -2.393
115 H TRP 16 H TRP 16 0.125 -6.173 0.107
116 HA TRP 16 HA TRP 16 2.645 -5.647 1.387
117 HB2 TRP 16 2HB TRP 16 2.085 -5.727 -1.107
118 HB3 TRP 16 1HB TRP 16 1.410 -4.107 -0.914
119 HD1 TRP 16 HD TRP 16 4.695 -6.038 -0.613
120 HE1 TRP 16 1HE TRP 16 6.643 -4.368 -0.695
121 HE3 TRP 16 3HE TRP 16 2.109 -1.637 -0.607
122 HZ2 TRP 16 2HZ TRP 16 7.058 -1.532 -0.755
123 HZ3 TRP 16 3HZ TRP 16 3.301 0.518 -0.661
124 HH2 TRP 16 HH TRP 16 5.770 0.571 -0.737
125 H CYS 17 H CYS 17 0.039 -3.318 0.523
126 HA CYS 17 HA CYS 17 1.073 -1.121 2.007
127 HB2 CYS 17 2HB CYS 17 -0.671 -0.747 0.442
128 HB3 CYS 17 1HB CYS 17 -1.681 -1.992 1.153
129 H ARG 18 H ARG 18 -1.306 -3.609 2.939
130 HA ARG 18 HA ARG 18 -1.981 -2.835 5.534
131 HB2 ARG 18 2HB ARG 18 -2.003 -5.187 3.886
132 HB3 ARG 18 1HB ARG 18 -1.521 -5.644 5.513
133 HG2 ARG 18 2HG ARG 18 -3.501 -4.313 6.365
134 HG3 ARG 18 1HG ARG 18 -4.023 -4.166 4.688
135 HD2 ARG 18 2HD ARG 18 -3.444 -6.908 5.039
136 HD3 ARG 18 1HD ARG 18 -4.336 -6.419 6.493
137 HE ARG 18 HE ARG 18 -5.568 -5.259 4.164
138 HH11 ARG 18 1HH2 ARG 18 -5.122 -8.300 5.808
139 HH12 ARG 18 2HH2 ARG 18 -6.624 -8.954 5.253
140 HH21 ARG 18 1HH1 ARG 18 -7.536 -6.137 3.453
141 HH22 ARG 18 2HH1 ARG 18 -7.975 -7.743 3.913
142 H ASP 19 H ASP 19 0.966 -4.535 4.471
143 HA ASP 19 HA ASP 19 1.989 -4.636 7.258
144 HB2 ASP 19 2HB ASP 19 1.972 -6.504 5.475
145 HB3 ASP 19 1HB ASP 19 3.318 -5.634 4.740
146 H HIS 20 H HIS 20 2.911 -3.206 4.100
147 HA HIS 20 HA HIS 20 5.299 -1.923 5.321
148 HB2 HIS 20 2HB HIS 20 4.146 -2.202 2.541
149 HB3 HIS 20 1HB HIS 20 5.549 -1.189 2.860
150 HD1 HIS 20 1HD HIS 20 7.743 -2.396 3.643
151 HD2 HIS 20 2HD HIS 20 4.625 -4.965 2.618
152 HE1 HIS 20 1HE HIS 20 8.762 -4.702 3.395
153 H SER 21 H SER 21 2.184 -0.930 3.893
154 HA SER 21 HA SER 21 2.863 1.935 4.154
155 HB2 SER 21 2HB SER 21 0.518 0.332 3.146
156 HB3 SER 21 1HB SER 21 0.528 2.083 3.132
157 HG SER 21 HG SER 21 2.383 2.011 1.832
158 H ARG 22 H ARG 22 1.160 3.386 5.118
159 HA ARG 22 HA ARG 22 0.360 2.363 7.801
160 HB2 ARG 22 2HB ARG 22 0.650 5.121 6.567
161 HB3 ARG 22 1HB ARG 22 0.119 4.844 8.223
162 HG2 ARG 22 2HG ARG 22 2.753 3.871 7.078
163 HG3 ARG 22 1HG ARG 22 2.568 5.329 8.052
164 HD2 ARG 22 2HD ARG 22 2.002 2.469 8.925
165 HD3 ARG 22 1HD ARG 22 3.265 3.539 9.560
166 HE ARG 22 HE ARG 22 0.381 3.705 10.159
167 HH11 ARG 22 1HH2 ARG 22 3.473 5.303 10.124
168 HH12 ARG 22 2HH2 ARG 22 3.042 6.448 11.344
169 HH21 ARG 22 1HH1 ARG 22 -0.183 5.202 11.768
170 HH22 ARG 22 2HH1 ARG 22 0.963 6.394 12.275
171 H CYS 23 H CYS 23 -1.040 4.220 5.037
172 HA CYS 23 HA CYS 23 -3.718 4.113 6.195
173 HB2 CYS 23 2HB CYS 23 -4.359 5.121 4.002
174 HB3 CYS 23 1HB CYS 23 -3.029 5.971 4.774
175 H CYS 24 H CYS 24 -5.545 3.159 4.701
176 HA CYS 24 HA CYS 24 -6.543 1.285 3.667
177 HB2 CYS 24 2HB CYS 24 -3.792 1.342 2.668
178 HB3 CYS 24 1HB CYS 24 -4.417 -0.299 2.777
179 HN1 NH2 25 2H CYS 24 -4.208 -0.992 6.205
180 HN2 NH2 25 1H CYS 24 -3.447 0.134 5.185
Start of MODEL 16
1 H1 VAL 1 1HT VAL 1 9.108 4.053 -0.722
2 H2 VAL 1 2HT VAL 1 10.298 2.913 -1.134
3 H3 VAL 1 3HT VAL 1 10.252 3.563 0.433
4 HA VAL 1 HA VAL 1 8.480 1.561 -0.804
5 HB VAL 1 HB VAL 1 9.604 1.762 2.004
6 HG11 VAL 1 2HG1 VAL 1 9.655 -0.867 1.078
7 HG12 VAL 1 3HG1 VAL 1 8.164 -0.215 0.411
8 HG13 VAL 1 1HG1 VAL 1 8.446 -0.165 2.151
9 HG21 VAL 1 1HG2 VAL 1 10.980 0.853 -0.537
10 HG22 VAL 1 2HG2 VAL 1 11.461 0.256 1.052
11 HG23 VAL 1 3HG2 VAL 1 11.578 1.977 0.692
12 H DAL 2 H ALA 2 6.745 0.939 1.040
13 HA DAL 2 HA ALA 2 5.624 3.129 2.569
14 HB1 DAL 2 1HB ALA 2 3.831 1.472 2.990
15 HB2 DAL 2 2HB ALA 2 5.435 0.793 3.242
16 HB3 DAL 2 3HB ALA 2 4.543 0.410 1.771
17 H GLU 3 H GLU 3 5.765 4.336 0.285
18 HA GLU 3 HA GLU 3 3.474 5.560 -0.399
19 HB2 GLU 3 2HB GLU 3 4.555 5.976 -2.600
20 HB3 GLU 3 1HB GLU 3 5.668 6.110 -1.240
21 HG2 GLU 3 2HG GLU 3 6.117 3.555 -1.719
22 HG3 GLU 3 1HG GLU 3 5.473 3.941 -3.313
23 H ARG 4 H ARG 4 4.364 2.490 -2.033
24 HA ARG 4 HA ARG 4 2.597 2.374 -4.125
25 HB2 ARG 4 2HB ARG 4 2.919 0.096 -2.160
26 HB3 ARG 4 1HB ARG 4 2.539 -0.034 -3.866
27 HG2 ARG 4 2HG ARG 4 4.928 1.505 -3.592
28 HG3 ARG 4 1HG ARG 4 5.095 0.032 -2.655
29 HD2 ARG 4 2HD ARG 4 5.452 -1.138 -4.552
30 HD3 ARG 4 1HD ARG 4 3.848 -0.660 -5.133
31 HE ARG 4 HE ARG 4 4.856 1.076 -6.396
32 HH11 ARG 4 1HH2 ARG 4 7.092 -0.294 -4.092
33 HH12 ARG 4 2HH2 ARG 4 8.460 0.550 -4.725
34 HH21 ARG 4 1HH1 ARG 4 6.663 2.162 -7.243
35 HH22 ARG 4 2HH1 ARG 4 8.216 1.947 -6.510
36 H CYS 5 H CYS 5 1.608 1.497 -0.783
37 HA CYS 5 HA CYS 5 -1.049 0.798 -1.333
38 HB2 CYS 5 2HB CYS 5 0.224 0.658 0.816
39 HB3 CYS 5 1HB CYS 5 -0.053 2.383 1.042
40 H CYS 6 H CYS 6 -0.194 4.043 -0.028
41 HA CYS 6 HA CYS 6 -2.703 5.187 -0.824
42 HB2 CYS 6 2HB CYS 6 -0.070 6.088 0.245
43 HB3 CYS 6 1HB CYS 6 -1.104 7.323 -0.470
44 H LYS 7 H LYS 7 0.358 4.774 -2.532
45 HA LYS 7 HA LYS 7 -0.114 6.699 -4.660
46 HB2 LYS 7 2HB LYS 7 1.970 5.164 -3.817
47 HB3 LYS 7 1HB LYS 7 1.409 4.214 -5.180
48 HG2 LYS 7 2HG LYS 7 2.136 5.722 -6.697
49 HG3 LYS 7 1HG LYS 7 1.544 7.089 -5.750
50 HD2 LYS 7 2HD LYS 7 3.772 7.494 -5.433
51 HD3 LYS 7 1HD LYS 7 3.604 6.271 -4.171
52 HE2 LYS 7 2HE LYS 7 4.585 4.589 -5.487
53 HE3 LYS 7 1HE LYS 7 4.210 5.427 -7.006
54 HZ1 LYS 7 3HZ LYS 7 6.358 5.969 -5.058
55 HZ2 LYS 7 1HZ LYS 7 5.691 7.282 -5.916
56 HZ3 LYS 7 2HZ LYS 7 6.395 5.994 -6.760
57 H ASN 8 H ASN 8 -1.002 3.330 -4.126
58 HA ASN 8 HA ASN 8 -1.908 2.930 -6.884
59 HB2 ASN 8 2HB ASN 8 -1.477 1.397 -4.395
60 HB3 ASN 8 1HB ASN 8 -2.706 0.764 -5.462
61 HD21 ASN 8 1HD2 ASN 8 0.598 0.764 -4.884
62 HD22 ASN 8 2HD2 ASN 8 1.140 0.262 -6.404
63 H GLY 9 H GLY 9 -3.386 4.211 -4.084
64 HA2 GLY 9 2HA GLY 9 -5.640 4.754 -3.659
65 HA3 GLY 9 1HA GLY 9 -5.909 4.528 -5.387
66 H LYS 10 H LYS 10 -7.146 2.807 -5.976
67 HA LYS 10 HA LYS 10 -8.305 1.037 -4.025
68 HB2 LYS 10 2HB LYS 10 -8.161 1.082 -7.047
69 HB3 LYS 10 1HB LYS 10 -9.103 -0.122 -6.162
70 HG2 LYS 10 2HG LYS 10 -9.554 2.663 -5.287
71 HG3 LYS 10 1HG LYS 10 -10.073 2.321 -6.942
72 HD2 LYS 10 2HD LYS 10 -11.249 0.252 -6.006
73 HD3 LYS 10 1HD LYS 10 -10.942 0.919 -4.401
74 HE2 LYS 10 2HE LYS 10 -12.288 2.594 -6.533
75 HE3 LYS 10 1HE LYS 10 -13.223 1.488 -5.510
76 HZ1 LYS 10 3HZ LYS 10 -12.945 3.773 -4.567
77 HZ2 LYS 10 1HZ LYS 10 -11.289 3.462 -4.424
78 HZ3 LYS 10 2HZ LYS 10 -12.410 2.525 -3.558
79 H ARG 11 H ARG 11 -5.427 0.864 -5.962
80 HA ARG 11 HA ARG 11 -5.110 -2.054 -5.608
81 HB2 ARG 11 2HB ARG 11 -3.200 0.052 -6.687
82 HB3 ARG 11 1HB ARG 11 -3.015 -1.683 -6.829
83 HG2 ARG 11 2HG ARG 11 -4.926 -1.889 -8.245
84 HG3 ARG 11 1HG ARG 11 -5.449 -0.246 -7.881
85 HD2 ARG 11 2HD ARG 11 -4.392 0.264 -9.852
86 HD3 ARG 11 1HD ARG 11 -2.927 0.220 -8.860
87 HE ARG 11 HE ARG 11 -3.965 -2.103 -10.442
88 HH11 ARG 11 1HH2 ARG 11 -1.377 -0.440 -8.756
89 HH12 ARG 11 2HH2 ARG 11 -0.160 -1.506 -9.365
90 HH21 ARG 11 1HH1 ARG 11 -2.351 -3.487 -11.189
91 HH22 ARG 11 2HH1 ARG 11 -0.706 -3.229 -10.719
92 H GLY 12 H GLY 12 -4.528 0.697 -3.757
93 HA2 GLY 12 2HA GLY 12 -2.062 0.011 -2.485
94 HA3 GLY 12 1HA GLY 12 -3.284 1.092 -1.814
95 H CYS 13 H CYS 13 -5.403 -0.296 -1.190
96 HA CYS 13 HA CYS 13 -4.893 -1.786 1.105
97 HB2 CYS 13 2HB CYS 13 -7.082 -1.446 -0.837
98 HB3 CYS 13 1HB CYS 13 -7.184 -2.930 0.107
99 H GLY 14 H GLY 14 -3.445 -3.462 1.141
100 HA2 GLY 14 2HA GLY 14 -4.091 -5.996 -0.069
101 HA3 GLY 14 1HA GLY 14 -2.739 -5.232 -0.917
102 H ARG 15 H ARG 15 -2.104 -7.536 0.318
103 HA ARG 15 HA ARG 15 -1.404 -7.550 3.074
104 HB2 ARG 15 2HB ARG 15 0.172 -8.742 0.749
105 HB3 ARG 15 1HB ARG 15 0.154 -9.315 2.415
106 HG2 ARG 15 2HG ARG 15 -2.097 -10.077 2.243
107 HG3 ARG 15 1HG ARG 15 -2.365 -9.184 0.750
108 HD2 ARG 15 2HD ARG 15 -1.197 -10.724 -0.554
109 HD3 ARG 15 1HD ARG 15 -0.210 -11.283 0.812
110 HE ARG 15 HE ARG 15 -2.926 -12.179 0.157
111 HH11 ARG 15 1HH2 ARG 15 -0.468 -11.843 2.597
112 HH12 ARG 15 2HH2 ARG 15 -1.116 -13.097 3.599
113 HH21 ARG 15 1HH1 ARG 15 -3.775 -13.805 1.482
114 HH22 ARG 15 2HH1 ARG 15 -2.983 -14.204 2.968
115 H TRP 16 H TRP 16 0.683 -6.639 0.289
116 HA TRP 16 HA TRP 16 2.991 -5.861 1.713
117 HB2 TRP 16 2HB TRP 16 2.604 -5.996 -0.792
118 HB3 TRP 16 1HB TRP 16 1.795 -4.435 -0.687
119 HD1 TRP 16 HD TRP 16 5.212 -6.064 -0.208
120 HE1 TRP 16 1HE TRP 16 7.007 -4.241 -0.214
121 HE3 TRP 16 3HE TRP 16 2.253 -1.916 -0.362
122 HZ2 TRP 16 2HZ TRP 16 7.178 -1.388 -0.283
123 HZ3 TRP 16 3HZ TRP 16 3.256 0.332 -0.389
124 HH2 TRP 16 HH TRP 16 5.712 0.606 -0.365
125 H CYS 17 H CYS 17 0.305 -3.691 0.688
126 HA CYS 17 HA CYS 17 1.169 -1.399 2.147
127 HB2 CYS 17 2HB CYS 17 -0.497 -1.080 0.517
128 HB3 CYS 17 1HB CYS 17 -1.436 -2.451 1.070
129 H ARG 18 H ARG 18 -1.125 -3.989 2.994
130 HA ARG 18 HA ARG 18 -1.956 -3.210 5.549
131 HB2 ARG 18 2HB ARG 18 -1.575 -5.687 3.993
132 HB3 ARG 18 1HB ARG 18 -1.574 -5.948 5.728
133 HG2 ARG 18 2HG ARG 18 -3.679 -4.171 5.361
134 HG3 ARG 18 1HG ARG 18 -3.793 -5.240 3.961
135 HD2 ARG 18 2HD ARG 18 -5.088 -6.097 5.930
136 HD3 ARG 18 1HD ARG 18 -3.799 -7.212 5.438
137 HE ARG 18 HE ARG 18 -2.753 -5.337 7.342
138 HH11 ARG 18 1HH2 ARG 18 -4.887 -8.067 7.074
139 HH12 ARG 18 2HH2 ARG 18 -4.638 -8.588 8.702
140 HH21 ARG 18 1HH1 ARG 18 -2.429 -6.011 9.482
141 HH22 ARG 18 2HH1 ARG 18 -3.232 -7.425 10.073
142 H ASP 19 H ASP 19 1.141 -4.712 4.633
143 HA ASP 19 HA ASP 19 2.011 -4.778 7.474
144 HB2 ASP 19 2HB ASP 19 2.332 -6.683 5.861
145 HB3 ASP 19 1HB ASP 19 3.423 -5.652 4.941
146 H HIS 20 H HIS 20 3.077 -3.335 4.372
147 HA HIS 20 HA HIS 20 5.222 -1.817 5.744
148 HB2 HIS 20 2HB HIS 20 4.333 -2.381 2.922
149 HB3 HIS 20 1HB HIS 20 5.462 -1.062 3.227
150 HD1 HIS 20 1HD HIS 20 7.855 -1.658 3.585
151 HD2 HIS 20 2HD HIS 20 5.380 -5.002 3.862
152 HE1 HIS 20 1HE HIS 20 9.384 -3.668 3.710
153 H SER 21 H SER 21 2.266 -1.092 3.891
154 HA SER 21 HA SER 21 2.635 1.803 4.170
155 HB2 SER 21 2HB SER 21 0.390 0.081 3.096
156 HB3 SER 21 1HB SER 21 0.530 1.812 2.855
157 HG SER 21 HG SER 21 2.375 1.491 1.654
158 H ARG 22 H ARG 22 1.050 3.209 5.102
159 HA ARG 22 HA ARG 22 -0.213 2.126 7.567
160 HB2 ARG 22 2HB ARG 22 0.553 4.864 6.530
161 HB3 ARG 22 1HB ARG 22 -0.481 4.672 7.943
162 HG2 ARG 22 2HG ARG 22 1.862 2.936 8.088
163 HG3 ARG 22 1HG ARG 22 2.316 4.635 7.945
164 HD2 ARG 22 2HD ARG 22 1.528 5.146 10.036
165 HD3 ARG 22 1HD ARG 22 0.095 4.118 9.847
166 HE ARG 22 HE ARG 22 2.740 3.243 10.828
167 HH11 ARG 22 1HH2 ARG 22 -0.409 2.379 9.620
168 HH12 ARG 22 2HH2 ARG 22 -0.365 0.784 10.280
169 HH21 ARG 22 1HH1 ARG 22 2.805 1.154 11.677
170 HH22 ARG 22 2HH1 ARG 22 1.461 0.084 11.445
171 H CYS 23 H CYS 23 -0.997 3.290 4.376
172 HA CYS 23 HA CYS 23 -3.705 4.163 4.901
173 HB2 CYS 23 2HB CYS 23 -2.942 2.901 2.287
174 HB3 CYS 23 1HB CYS 23 -3.859 4.365 2.579
175 H CYS 24 H CYS 24 -5.628 2.811 3.982
176 HA CYS 24 HA CYS 24 -6.909 0.819 3.985
177 HB2 CYS 24 2HB CYS 24 -4.804 0.150 2.562
178 HB3 CYS 24 1HB CYS 24 -4.302 -0.719 4.006
179 HN1 NH2 25 2H CYS 24 -6.137 0.827 7.689
180 HN2 NH2 25 1H CYS 24 -6.308 2.044 6.519
Start of MODEL 17
1 H1 VAL 1 1HT VAL 1 10.404 3.271 0.521
2 H2 VAL 1 2HT VAL 1 9.696 3.767 1.984
3 H3 VAL 1 3HT VAL 1 9.042 4.273 0.504
4 HA VAL 1 HA VAL 1 8.663 1.812 0.010
5 HB VAL 1 HB VAL 1 8.804 1.641 3.031
6 HG11 VAL 1 2HG1 VAL 1 8.564 -0.249 0.711
7 HG12 VAL 1 3HG1 VAL 1 7.688 -0.231 2.239
8 HG13 VAL 1 1HG1 VAL 1 9.355 -0.816 2.181
9 HG21 VAL 1 1HG2 VAL 1 11.038 1.128 1.041
10 HG22 VAL 1 2HG2 VAL 1 11.041 0.518 2.695
11 HG23 VAL 1 3HG2 VAL 1 11.065 2.254 2.399
12 H DAL 2 H ALA 2 6.503 0.867 0.952
13 HA DAL 2 HA ALA 2 4.775 2.738 2.378
14 HB1 DAL 2 1HB ALA 2 3.395 0.538 1.127
15 HB2 DAL 2 2HB ALA 2 3.737 0.797 2.832
16 HB3 DAL 2 3HB ALA 2 4.913 -0.031 1.819
17 H GLU 3 H GLU 3 5.594 4.048 0.079
18 HA GLU 3 HA GLU 3 3.652 5.399 -1.066
19 HB2 GLU 3 2HB GLU 3 4.943 5.102 -3.325
20 HB3 GLU 3 1HB GLU 3 5.765 5.794 -1.929
21 HG2 GLU 3 2HG GLU 3 7.044 3.893 -1.567
22 HG3 GLU 3 1HG GLU 3 5.863 2.820 -2.300
23 H ARG 4 H ARG 4 4.329 2.186 -2.521
24 HA ARG 4 HA ARG 4 2.455 2.072 -4.532
25 HB2 ARG 4 2HB ARG 4 2.954 -0.099 -2.485
26 HB3 ARG 4 1HB ARG 4 2.318 -0.344 -4.100
27 HG2 ARG 4 2HG ARG 4 5.050 0.776 -3.438
28 HG3 ARG 4 1HG ARG 4 4.719 -0.853 -4.019
29 HD2 ARG 4 2HD ARG 4 4.231 -0.125 -6.176
30 HD3 ARG 4 1HD ARG 4 3.668 1.456 -5.612
31 HE ARG 4 HE ARG 4 5.922 2.223 -5.490
32 HH11 ARG 4 1HH2 ARG 4 5.713 -1.186 -6.156
33 HH12 ARG 4 2HH2 ARG 4 7.385 -1.331 -6.554
34 HH21 ARG 4 1HH1 ARG 4 8.091 2.028 -5.996
35 HH22 ARG 4 2HH1 ARG 4 8.740 0.494 -6.473
36 H CYS 5 H CYS 5 1.722 1.289 -1.104
37 HA CYS 5 HA CYS 5 -1.018 0.694 -1.424
38 HB2 CYS 5 2HB CYS 5 0.395 0.350 0.602
39 HB3 CYS 5 1HB CYS 5 0.332 2.089 0.900
40 H CYS 6 H CYS 6 0.338 3.855 -0.380
41 HA CYS 6 HA CYS 6 -2.217 5.205 -0.613
42 HB2 CYS 6 2HB CYS 6 0.586 6.364 -0.566
43 HB3 CYS 6 1HB CYS 6 -0.900 7.156 -0.037
44 H LYS 7 H LYS 7 0.606 4.885 -2.794
45 HA LYS 7 HA LYS 7 -0.203 6.825 -4.750
46 HB2 LYS 7 2HB LYS 7 1.381 4.239 -4.889
47 HB3 LYS 7 1HB LYS 7 1.255 5.355 -6.243
48 HG2 LYS 7 2HG LYS 7 1.973 7.047 -4.206
49 HG3 LYS 7 1HG LYS 7 2.841 5.573 -3.779
50 HD2 LYS 7 2HD LYS 7 2.894 6.648 -6.593
51 HD3 LYS 7 1HD LYS 7 4.015 7.246 -5.365
52 HE2 LYS 7 2HE LYS 7 5.174 5.247 -5.246
53 HE3 LYS 7 1HE LYS 7 3.744 4.270 -5.632
54 HZ1 LYS 7 3HZ LYS 7 5.489 4.549 -7.445
55 HZ2 LYS 7 1HZ LYS 7 4.917 6.134 -7.603
56 HZ3 LYS 7 2HZ LYS 7 3.870 4.825 -7.872
57 H ASN 8 H ASN 8 -0.902 3.348 -4.432
58 HA ASN 8 HA ASN 8 -2.384 3.174 -6.925
59 HB2 ASN 8 2HB ASN 8 -1.597 1.496 -4.631
60 HB3 ASN 8 1HB ASN 8 -3.041 0.977 -5.471
61 HD21 ASN 8 1HD2 ASN 8 0.294 0.810 -5.519
62 HD22 ASN 8 2HD2 ASN 8 0.510 0.284 -7.116
63 H GLY 9 H GLY 9 -3.273 4.324 -3.830
64 HA2 GLY 9 2HA GLY 9 -5.368 4.941 -2.964
65 HA3 GLY 9 1HA GLY 9 -5.995 4.797 -4.608
66 H LYS 10 H LYS 10 -7.474 3.203 -4.892
67 HA LYS 10 HA LYS 10 -8.090 1.289 -2.821
68 HB2 LYS 10 2HB LYS 10 -9.743 0.473 -4.420
69 HB3 LYS 10 1HB LYS 10 -9.702 2.231 -4.514
70 HG2 LYS 10 2HG LYS 10 -9.548 1.801 -6.769
71 HG3 LYS 10 1HG LYS 10 -7.834 1.645 -6.385
72 HD2 LYS 10 2HD LYS 10 -7.990 -0.428 -7.281
73 HD3 LYS 10 1HD LYS 10 -8.815 -0.874 -5.789
74 HE2 LYS 10 2HE LYS 10 -10.239 0.209 -8.250
75 HE3 LYS 10 1HE LYS 10 -10.102 -1.514 -7.858
76 HZ1 LYS 10 3HZ LYS 10 -11.452 0.611 -6.296
77 HZ2 LYS 10 1HZ LYS 10 -10.989 -0.857 -5.583
78 HZ3 LYS 10 2HZ LYS 10 -12.098 -0.847 -6.867
79 H ARG 11 H ARG 11 -5.901 1.223 -5.523
80 HA ARG 11 HA ARG 11 -5.643 -1.693 -5.616
81 HB2 ARG 11 2HB ARG 11 -3.826 0.504 -6.698
82 HB3 ARG 11 1HB ARG 11 -3.780 -1.192 -7.152
83 HG2 ARG 11 2HG ARG 11 -5.832 -1.089 -8.285
84 HG3 ARG 11 1HG ARG 11 -6.319 0.393 -7.467
85 HD2 ARG 11 2HD ARG 11 -3.827 0.462 -9.142
86 HD3 ARG 11 1HD ARG 11 -5.405 0.479 -9.961
87 HE ARG 11 HE ARG 11 -5.184 2.338 -7.679
88 HH11 ARG 11 1HH2 ARG 11 -4.829 1.856 -11.115
89 HH12 ARG 11 2HH2 ARG 11 -5.019 3.530 -11.494
90 HH21 ARG 11 1HH1 ARG 11 -5.442 4.523 -8.176
91 HH22 ARG 11 2HH1 ARG 11 -5.365 5.050 -9.825
92 H GLY 12 H GLY 12 -4.408 0.809 -3.643
93 HA2 GLY 12 2HA GLY 12 -1.885 -0.379 -2.922
94 HA3 GLY 12 1HA GLY 12 -2.737 0.860 -2.000
95 H CYS 13 H CYS 13 -5.202 -0.735 -1.737
96 HA CYS 13 HA CYS 13 -4.735 -2.026 0.730
97 HB2 CYS 13 2HB CYS 13 -6.849 -1.980 -1.368
98 HB3 CYS 13 1HB CYS 13 -6.959 -3.260 -0.163
99 H GLY 14 H GLY 14 -3.281 -3.685 0.952
100 HA2 GLY 14 2HA GLY 14 -3.788 -6.255 -0.225
101 HA3 GLY 14 1HA GLY 14 -2.414 -5.485 -1.023
102 H ARG 15 H ARG 15 -2.057 -7.830 0.466
103 HA ARG 15 HA ARG 15 -1.424 -7.691 3.184
104 HB2 ARG 15 2HB ARG 15 0.423 -9.398 2.443
105 HB3 ARG 15 1HB ARG 15 -1.267 -9.791 2.150
106 HG2 ARG 15 2HG ARG 15 -0.965 -9.809 -0.087
107 HG3 ARG 15 1HG ARG 15 -0.130 -8.258 -0.058
108 HD2 ARG 15 2HD ARG 15 1.638 -9.581 -0.744
109 HD3 ARG 15 1HD ARG 15 1.821 -9.799 1.003
110 HE ARG 15 HE ARG 15 0.460 -11.724 -0.833
111 HH11 ARG 15 1HH2 ARG 15 1.797 -10.910 2.296
112 HH12 ARG 15 2HH2 ARG 15 1.692 -12.526 2.891
113 HH21 ARG 15 1HH1 ARG 15 0.341 -13.823 -0.037
114 HH22 ARG 15 2HH1 ARG 15 0.872 -14.175 1.571
115 H TRP 16 H TRP 16 0.738 -6.741 0.468
116 HA TRP 16 HA TRP 16 3.012 -6.072 2.077
117 HB2 TRP 16 2HB TRP 16 2.937 -6.371 -0.409
118 HB3 TRP 16 1HB TRP 16 2.085 -4.826 -0.525
119 HD1 TRP 16 HD TRP 16 5.426 -6.296 0.661
120 HE1 TRP 16 1HE TRP 16 7.206 -4.451 0.584
121 HE3 TRP 16 3HE TRP 16 2.493 -2.316 -0.593
122 HZ2 TRP 16 2HZ TRP 16 7.371 -1.641 0.038
123 HZ3 TRP 16 3HZ TRP 16 3.496 -0.070 -0.889
124 HH2 TRP 16 HH TRP 16 5.923 0.260 -0.578
125 H CYS 17 H CYS 17 0.536 -3.874 0.672
126 HA CYS 17 HA CYS 17 1.358 -1.489 1.957
127 HB2 CYS 17 2HB CYS 17 -0.327 -1.225 0.370
128 HB3 CYS 17 1HB CYS 17 -1.209 -2.640 0.930
129 H ARG 18 H ARG 18 -1.073 -3.862 3.045
130 HA ARG 18 HA ARG 18 -1.748 -2.842 5.569
131 HB2 ARG 18 2HB ARG 18 -2.154 -5.138 4.100
132 HB3 ARG 18 1HB ARG 18 -1.259 -5.738 5.494
133 HG2 ARG 18 2HG ARG 18 -3.029 -4.015 6.686
134 HG3 ARG 18 1HG ARG 18 -3.993 -4.648 5.347
135 HD2 ARG 18 2HD ARG 18 -4.325 -6.168 7.174
136 HD3 ARG 18 1HD ARG 18 -3.189 -6.979 6.073
137 HE ARG 18 HE ARG 18 -1.458 -5.629 7.675
138 HH11 ARG 18 1HH2 ARG 18 -4.255 -7.569 8.401
139 HH12 ARG 18 2HH2 ARG 18 -3.680 -8.044 9.959
140 HH21 ARG 18 1HH1 ARG 18 -0.712 -6.245 9.722
141 HH22 ARG 18 2HH1 ARG 18 -1.675 -7.288 10.711
142 H ASP 19 H ASP 19 1.219 -4.573 4.645
143 HA ASP 19 HA ASP 19 2.161 -4.656 7.462
144 HB2 ASP 19 2HB ASP 19 2.330 -6.579 5.838
145 HB3 ASP 19 1HB ASP 19 3.462 -5.612 4.895
146 H HIS 20 H HIS 20 3.037 -3.100 4.366
147 HA HIS 20 HA HIS 20 5.284 -1.650 5.724
148 HB2 HIS 20 2HB HIS 20 4.526 -2.483 2.960
149 HB3 HIS 20 1HB HIS 20 5.474 -1.011 3.116
150 HD1 HIS 20 1HD HIS 20 7.877 -1.219 4.129
151 HD2 HIS 20 2HD HIS 20 5.913 -4.865 3.623
152 HE1 HIS 20 1HE HIS 20 9.650 -3.020 4.286
153 H SER 21 H SER 21 2.025 -1.039 4.747
154 HA SER 21 HA SER 21 2.591 1.917 4.717
155 HB2 SER 21 2HB SER 21 1.679 0.204 2.673
156 HB3 SER 21 1HB SER 21 0.250 1.074 3.213
157 HG SER 21 HG SER 21 2.002 2.932 3.091
158 H ARG 22 H ARG 22 1.080 3.246 5.731
159 HA ARG 22 HA ARG 22 -0.772 1.979 7.650
160 HB2 ARG 22 2HB ARG 22 0.209 4.762 7.016
161 HB3 ARG 22 1HB ARG 22 -1.189 4.541 8.068
162 HG2 ARG 22 2HG ARG 22 1.251 2.907 8.587
163 HG3 ARG 22 1HG ARG 22 1.262 4.604 9.057
164 HD2 ARG 22 2HD ARG 22 0.377 3.630 10.987
165 HD3 ARG 22 1HD ARG 22 -1.113 3.986 10.088
166 HE ARG 22 HE ARG 22 0.207 1.349 9.642
167 HH11 ARG 22 1HH2 ARG 22 -2.449 3.232 10.906
168 HH12 ARG 22 2HH2 ARG 22 -3.469 1.856 11.137
169 HH21 ARG 22 1HH1 ARG 22 -1.154 -0.420 9.914
170 HH22 ARG 22 2HH1 ARG 22 -2.737 -0.205 10.575
171 H CYS 23 H CYS 23 -0.878 3.365 4.467
172 HA CYS 23 HA CYS 23 -3.556 4.312 4.288
173 HB2 CYS 23 2HB CYS 23 -1.515 3.135 2.420
174 HB3 CYS 23 1HB CYS 23 -3.149 3.402 1.821
175 H CYS 24 H CYS 24 -5.321 3.050 3.019
176 HA CYS 24 HA CYS 24 -6.793 1.214 2.880
177 HB2 CYS 24 2HB CYS 24 -4.692 0.194 1.867
178 HB3 CYS 24 1HB CYS 24 -4.304 -0.440 3.464
179 HN1 NH2 25 2H CYS 24 -6.491 1.395 6.741
180 HN2 NH2 25 1H CYS 24 -6.000 2.523 5.575
Start of MODEL 18
1 H1 VAL 1 1HT VAL 1 9.887 1.260 3.377
2 H2 VAL 1 2HT VAL 1 11.076 2.175 2.595
3 H3 VAL 1 3HT VAL 1 10.846 0.550 2.179
4 HA VAL 1 HA VAL 1 9.640 2.809 1.036
5 HB VAL 1 HB VAL 1 8.727 1.082 -0.463
6 HG11 VAL 1 2HG1 VAL 1 11.278 -0.245 0.118
7 HG12 VAL 1 3HG1 VAL 1 11.401 1.520 0.084
8 HG13 VAL 1 1HG1 VAL 1 10.767 0.648 -1.315
9 HG21 VAL 1 1HG2 VAL 1 9.146 -1.338 0.127
10 HG22 VAL 1 2HG2 VAL 1 7.909 -0.551 1.114
11 HG23 VAL 1 3HG2 VAL 1 9.526 -0.811 1.771
12 H DAL 2 H ALA 2 7.160 2.578 0.379
13 HA DAL 2 HA ALA 2 5.636 2.674 2.911
14 HB1 DAL 2 1HB ALA 2 4.342 1.064 0.806
15 HB2 DAL 2 2HB ALA 2 4.364 0.820 2.551
16 HB3 DAL 2 3HB ALA 2 5.745 0.323 1.576
17 H GLU 3 H GLU 3 5.075 2.595 -0.634
18 HA GLU 3 HA GLU 3 3.442 5.088 -0.309
19 HB2 GLU 3 2HB GLU 3 4.507 5.614 -2.641
20 HB3 GLU 3 1HB GLU 3 5.471 5.859 -1.190
21 HG2 GLU 3 2HG GLU 3 6.908 4.156 -1.707
22 HG3 GLU 3 1HG GLU 3 5.629 3.137 -2.342
23 H ARG 4 H ARG 4 4.072 2.252 -2.366
24 HA ARG 4 HA ARG 4 2.245 2.484 -4.411
25 HB2 ARG 4 2HB ARG 4 2.800 0.062 -2.678
26 HB3 ARG 4 1HB ARG 4 2.050 -0.006 -4.264
27 HG2 ARG 4 2HG ARG 4 4.854 0.952 -3.608
28 HG3 ARG 4 1HG ARG 4 4.408 -0.502 -4.504
29 HD2 ARG 4 2HD ARG 4 3.604 0.749 -6.360
30 HD3 ARG 4 1HD ARG 4 3.614 2.260 -5.440
31 HE ARG 4 HE ARG 4 6.000 2.360 -5.635
32 HH11 ARG 4 1HH2 ARG 4 4.688 -0.668 -6.792
33 HH12 ARG 4 2HH2 ARG 4 6.149 -1.139 -7.579
34 HH21 ARG 4 1HH1 ARG 4 7.905 1.713 -6.691
35 HH22 ARG 4 2HH1 ARG 4 7.964 0.193 -7.514
36 H CYS 5 H CYS 5 1.418 1.659 -1.032
37 HA CYS 5 HA CYS 5 -1.279 0.895 -1.469
38 HB2 CYS 5 2HB CYS 5 0.119 0.737 0.626
39 HB3 CYS 5 1HB CYS 5 -0.210 2.449 0.889
40 H CYS 6 H CYS 6 -0.289 4.110 -0.179
41 HA CYS 6 HA CYS 6 -2.799 5.363 -0.766
42 HB2 CYS 6 2HB CYS 6 -0.039 6.166 0.002
43 HB3 CYS 6 1HB CYS 6 -1.014 7.419 -0.759
44 H LYS 7 H LYS 7 0.230 5.095 -2.623
45 HA LYS 7 HA LYS 7 -0.276 6.815 -4.787
46 HB2 LYS 7 2HB LYS 7 1.388 4.556 -4.137
47 HB3 LYS 7 1HB LYS 7 0.831 4.416 -5.800
48 HG2 LYS 7 2HG LYS 7 1.988 6.250 -6.494
49 HG3 LYS 7 1HG LYS 7 1.735 7.118 -4.977
50 HD2 LYS 7 2HD LYS 7 3.871 6.618 -4.502
51 HD3 LYS 7 1HD LYS 7 3.307 4.972 -4.226
52 HE2 LYS 7 2HE LYS 7 4.609 4.277 -5.962
53 HE3 LYS 7 1HE LYS 7 3.619 5.268 -7.055
54 HZ1 LYS 7 3HZ LYS 7 5.830 6.099 -7.194
55 HZ2 LYS 7 1HZ LYS 7 6.017 6.117 -5.506
56 HZ3 LYS 7 2HZ LYS 7 4.962 7.217 -6.264
57 H ASN 8 H ASN 8 -1.320 3.440 -4.349
58 HA ASN 8 HA ASN 8 -2.906 3.561 -6.854
59 HB2 ASN 8 2HB ASN 8 -1.619 1.574 -5.119
60 HB3 ASN 8 1HB ASN 8 -3.151 1.051 -5.803
61 HD21 ASN 8 1HD2 ASN 8 0.070 0.999 -6.439
62 HD22 ASN 8 2HD2 ASN 8 0.036 1.007 -8.132
63 H GLY 9 H GLY 9 -3.560 4.431 -3.735
64 HA2 GLY 9 2HA GLY 9 -5.539 4.541 -2.474
65 HA3 GLY 9 1HA GLY 9 -6.341 4.561 -4.042
66 H LYS 10 H LYS 10 -7.687 2.893 -4.452
67 HA LYS 10 HA LYS 10 -8.020 0.713 -2.596
68 HB2 LYS 10 2HB LYS 10 -9.106 1.483 -5.293
69 HB3 LYS 10 1HB LYS 10 -9.483 -0.101 -4.620
70 HG2 LYS 10 2HG LYS 10 -9.995 2.553 -3.237
71 HG3 LYS 10 1HG LYS 10 -11.224 1.567 -4.035
72 HD2 LYS 10 2HD LYS 10 -9.584 0.100 -2.058
73 HD3 LYS 10 1HD LYS 10 -10.587 1.375 -1.374
74 HE2 LYS 10 2HE LYS 10 -11.898 -0.687 -1.397
75 HE3 LYS 10 1HE LYS 10 -12.555 0.393 -2.641
76 HZ1 LYS 10 3HZ LYS 10 -12.060 -1.959 -3.376
77 HZ2 LYS 10 1HZ LYS 10 -10.421 -1.587 -3.235
78 HZ3 LYS 10 2HZ LYS 10 -11.396 -0.728 -4.328
79 H ARG 11 H ARG 11 -6.086 1.131 -5.472
80 HA ARG 11 HA ARG 11 -5.676 -1.745 -5.917
81 HB2 ARG 11 2HB ARG 11 -4.122 0.662 -6.944
82 HB3 ARG 11 1HB ARG 11 -3.999 -0.978 -7.560
83 HG2 ARG 11 2HG ARG 11 -6.210 -0.949 -8.420
84 HG3 ARG 11 1HG ARG 11 -6.630 0.493 -7.493
85 HD2 ARG 11 2HD ARG 11 -6.199 1.544 -9.507
86 HD3 ARG 11 1HD ARG 11 -4.529 1.460 -8.929
87 HE ARG 11 HE ARG 11 -5.741 -0.697 -10.631
88 HH11 ARG 11 1HH2 ARG 11 -3.066 1.401 -9.754
89 HH12 ARG 11 2HH2 ARG 11 -2.048 0.798 -11.013
90 HH21 ARG 11 1HH1 ARG 11 -4.371 -1.484 -12.224
91 HH22 ARG 11 2HH1 ARG 11 -2.772 -0.845 -12.399
92 H GLY 12 H GLY 12 -4.381 0.661 -3.867
93 HA2 GLY 12 2HA GLY 12 -1.796 -0.591 -3.422
94 HA3 GLY 12 1HA GLY 12 -2.500 0.715 -2.472
95 H CYS 13 H CYS 13 -5.004 -0.740 -1.946
96 HA CYS 13 HA CYS 13 -4.510 -1.938 0.520
97 HB2 CYS 13 2HB CYS 13 -6.645 -2.011 -1.560
98 HB3 CYS 13 1HB CYS 13 -6.718 -3.258 -0.314
99 H GLY 14 H GLY 14 -3.439 -3.770 1.064
100 HA2 GLY 14 2HA GLY 14 -3.786 -6.333 0.014
101 HA3 GLY 14 1HA GLY 14 -2.447 -5.632 -0.902
102 H ARG 15 H ARG 15 -2.022 -7.840 0.797
103 HA ARG 15 HA ARG 15 -1.279 -7.338 3.457
104 HB2 ARG 15 2HB ARG 15 -0.628 -9.483 3.247
105 HB3 ARG 15 1HB ARG 15 -1.022 -9.375 1.543
106 HG2 ARG 15 2HG ARG 15 1.172 -9.321 0.914
107 HG3 ARG 15 1HG ARG 15 1.645 -8.299 2.269
108 HD2 ARG 15 2HD ARG 15 0.930 -10.686 3.513
109 HD3 ARG 15 1HD ARG 15 1.765 -11.210 2.038
110 HE ARG 15 HE ARG 15 3.746 -10.123 2.785
111 HH11 ARG 15 1HH2 ARG 15 1.011 -9.377 4.821
112 HH12 ARG 15 2HH2 ARG 15 1.975 -8.592 6.025
113 HH21 ARG 15 1HH1 ARG 15 4.986 -9.093 4.364
114 HH22 ARG 15 2HH1 ARG 15 4.221 -8.444 5.777
115 H TRP 16 H TRP 16 0.591 -6.593 0.488
116 HA TRP 16 HA TRP 16 3.019 -5.787 1.791
117 HB2 TRP 16 2HB TRP 16 2.598 -6.108 -0.699
118 HB3 TRP 16 1HB TRP 16 1.800 -4.533 -0.689
119 HD1 TRP 16 HD TRP 16 5.185 -6.185 -0.079
120 HE1 TRP 16 1HE TRP 16 7.026 -4.406 -0.220
121 HE3 TRP 16 3HE TRP 16 2.316 -1.990 -0.540
122 HZ2 TRP 16 2HZ TRP 16 7.259 -1.560 -0.491
123 HZ3 TRP 16 3HZ TRP 16 3.385 0.248 -0.723
124 HH2 TRP 16 HH TRP 16 5.852 0.449 -0.701
125 H CYS 17 H CYS 17 0.251 -3.757 0.697
126 HA CYS 17 HA CYS 17 1.154 -1.346 1.932
127 HB2 CYS 17 2HB CYS 17 -0.606 -1.133 0.382
128 HB3 CYS 17 1HB CYS 17 -1.497 -2.480 1.066
129 H ARG 18 H ARG 18 -1.129 -3.838 3.048
130 HA ARG 18 HA ARG 18 -1.810 -2.916 5.582
131 HB2 ARG 18 2HB ARG 18 -1.436 -5.526 4.222
132 HB3 ARG 18 1HB ARG 18 -1.587 -5.582 5.979
133 HG2 ARG 18 2HG ARG 18 -3.612 -3.946 5.578
134 HG3 ARG 18 1HG ARG 18 -3.563 -4.592 3.936
135 HD2 ARG 18 2HD ARG 18 -5.099 -5.953 5.243
136 HD3 ARG 18 1HD ARG 18 -3.644 -6.909 4.928
137 HE ARG 18 HE ARG 18 -3.268 -5.457 7.359
138 HH11 ARG 18 1HH2 ARG 18 -5.123 -8.093 6.017
139 HH12 ARG 18 2HH2 ARG 18 -5.317 -8.890 7.535
140 HH21 ARG 18 1HH1 ARG 18 -3.503 -6.529 9.322
141 HH22 ARG 18 2HH1 ARG 18 -4.397 -8.006 9.402
142 H ASP 19 H ASP 19 1.200 -4.613 4.663
143 HA ASP 19 HA ASP 19 2.204 -4.479 7.456
144 HB2 ASP 19 2HB ASP 19 2.348 -6.323 5.440
145 HB3 ASP 19 1HB ASP 19 3.901 -5.507 5.267
146 H HIS 20 H HIS 20 3.074 -3.195 4.227
147 HA HIS 20 HA HIS 20 5.376 -1.703 5.394
148 HB2 HIS 20 2HB HIS 20 4.305 -2.208 2.605
149 HB3 HIS 20 1HB HIS 20 5.693 -1.168 2.916
150 HD1 HIS 20 1HD HIS 20 7.893 -2.309 3.712
151 HD2 HIS 20 2HD HIS 20 4.774 -4.995 3.023
152 HE1 HIS 20 1HE HIS 20 8.924 -4.625 3.706
153 H SER 21 H SER 21 2.346 -1.035 3.668
154 HA SER 21 HA SER 21 2.760 1.875 3.809
155 HB2 SER 21 2HB SER 21 0.557 0.074 2.786
156 HB3 SER 21 1HB SER 21 0.563 1.813 2.588
157 HG SER 21 HG SER 21 2.584 0.021 1.673
158 H ARG 22 H ARG 22 0.913 3.241 4.590
159 HA ARG 22 HA ARG 22 -0.218 2.146 7.139
160 HB2 ARG 22 2HB ARG 22 0.488 4.952 6.204
161 HB3 ARG 22 1HB ARG 22 -0.320 4.611 7.734
162 HG2 ARG 22 2HG ARG 22 2.401 3.566 6.894
163 HG3 ARG 22 1HG ARG 22 2.109 4.847 8.069
164 HD2 ARG 22 2HD ARG 22 0.506 2.627 8.880
165 HD3 ARG 22 1HD ARG 22 2.126 1.998 8.512
166 HE ARG 22 HE ARG 22 2.486 4.416 9.949
167 HH11 ARG 22 1HH2 ARG 22 1.139 1.237 10.389
168 HH12 ARG 22 2HH2 ARG 22 1.483 1.193 12.087
169 HH21 ARG 22 1HH1 ARG 22 2.911 4.363 12.180
170 HH22 ARG 22 2HH1 ARG 22 2.480 2.958 13.102
171 H CYS 23 H CYS 23 -1.018 3.376 3.991
172 HA CYS 23 HA CYS 23 -3.706 4.315 4.609
173 HB2 CYS 23 2HB CYS 23 -2.902 3.346 1.880
174 HB3 CYS 23 1HB CYS 23 -3.808 4.786 2.322
175 H CYS 24 H CYS 24 -5.491 3.128 3.099
176 HA CYS 24 HA CYS 24 -6.805 1.216 2.695
177 HB2 CYS 24 2HB CYS 24 -4.648 0.307 1.775
178 HB3 CYS 24 1HB CYS 24 -4.274 -0.340 3.363
179 HN1 NH2 25 2H CYS 24 -5.922 0.216 6.591
180 HN2 NH2 25 1H CYS 24 -4.653 0.689 5.570
Start of MODEL 19
1 H1 VAL 1 1HT VAL 1 10.275 3.051 -0.060
2 H2 VAL 1 2HT VAL 1 9.019 4.010 -0.674
3 H3 VAL 1 3HT VAL 1 9.934 3.036 -1.719
4 HA VAL 1 HA VAL 1 8.188 1.624 -1.516
5 HB VAL 1 HB VAL 1 9.614 1.187 1.141
6 HG11 VAL 1 2HG1 VAL 1 7.868 -0.485 -0.625
7 HG12 VAL 1 3HG1 VAL 1 7.973 -0.442 1.138
8 HG13 VAL 1 1HG1 VAL 1 9.207 -1.277 0.204
9 HG21 VAL 1 1HG2 VAL 1 11.511 0.830 -0.035
10 HG22 VAL 1 2HG2 VAL 1 10.670 1.159 -1.550
11 HG23 VAL 1 3HG2 VAL 1 10.696 -0.476 -0.887
12 H DAL 2 H ALA 2 6.500 0.698 0.291
13 HA DAL 2 HA ALA 2 5.603 2.648 2.278
14 HB1 DAL 2 1HB ALA 2 3.780 0.479 1.516
15 HB2 DAL 2 2HB ALA 2 4.540 0.808 3.071
16 HB3 DAL 2 3HB ALA 2 5.420 -0.085 1.833
17 H GLU 3 H GLU 3 5.614 3.881 -0.195
18 HA GLU 3 HA GLU 3 3.334 5.354 -0.423
19 HB2 GLU 3 2HB GLU 3 4.163 5.821 -2.706
20 HB3 GLU 3 1HB GLU 3 5.467 5.743 -1.531
21 HG2 GLU 3 2HG GLU 3 6.246 3.688 -2.327
22 HG3 GLU 3 1HG GLU 3 4.697 3.252 -3.017
23 H ARG 4 H ARG 4 3.742 2.212 -2.036
24 HA ARG 4 HA ARG 4 1.877 2.271 -4.030
25 HB2 ARG 4 2HB ARG 4 2.230 0.048 -2.017
26 HB3 ARG 4 1HB ARG 4 1.490 -0.132 -3.592
27 HG2 ARG 4 2HG ARG 4 4.231 1.061 -3.377
28 HG3 ARG 4 1HG ARG 4 4.027 -0.683 -3.305
29 HD2 ARG 4 2HD ARG 4 3.924 -0.711 -5.558
30 HD3 ARG 4 1HD ARG 4 2.403 0.193 -5.445
31 HE ARG 4 HE ARG 4 4.412 2.107 -5.075
32 HH11 ARG 4 1HH2 ARG 4 3.563 -0.254 -7.500
33 HH12 ARG 4 2HH2 ARG 4 4.190 0.685 -8.809
34 HH21 ARG 4 1HH1 ARG 4 5.233 3.318 -6.767
35 HH22 ARG 4 2HH1 ARG 4 5.142 2.721 -8.395
36 H CYS 5 H CYS 5 0.889 1.337 -0.683
37 HA CYS 5 HA CYS 5 -1.862 1.076 -1.164
38 HB2 CYS 5 2HB CYS 5 -0.326 0.764 0.950
39 HB3 CYS 5 1HB CYS 5 -0.899 2.381 1.351
40 H CYS 6 H CYS 6 -0.524 4.045 0.353
41 HA CYS 6 HA CYS 6 -2.913 5.563 -0.097
42 HB2 CYS 6 2HB CYS 6 -0.119 5.995 0.814
43 HB3 CYS 6 1HB CYS 6 -1.004 7.427 0.285
44 H LYS 7 H LYS 7 -0.091 5.025 -2.187
45 HA LYS 7 HA LYS 7 -0.783 7.288 -3.941
46 HB2 LYS 7 2HB LYS 7 1.191 4.996 -4.159
47 HB3 LYS 7 1HB LYS 7 1.102 6.332 -5.302
48 HG2 LYS 7 2HG LYS 7 1.203 7.397 -2.639
49 HG3 LYS 7 1HG LYS 7 2.505 6.229 -2.843
50 HD2 LYS 7 2HD LYS 7 1.956 8.334 -4.933
51 HD3 LYS 7 1HD LYS 7 2.985 8.671 -3.542
52 HE2 LYS 7 2HE LYS 7 3.696 6.117 -4.790
53 HE3 LYS 7 1HE LYS 7 3.830 7.470 -5.925
54 HZ1 LYS 7 3HZ LYS 7 5.808 7.037 -4.370
55 HZ2 LYS 7 1HZ LYS 7 4.836 7.715 -3.156
56 HZ3 LYS 7 2HZ LYS 7 5.250 8.636 -4.519
57 H ASN 8 H ASN 8 -0.882 3.715 -4.193
58 HA ASN 8 HA ASN 8 -2.229 3.886 -6.810
59 HB2 ASN 8 2HB ASN 8 -0.854 1.910 -5.128
60 HB3 ASN 8 1HB ASN 8 -2.188 1.254 -6.053
61 HD21 ASN 8 1HD2 ASN 8 1.068 2.023 -6.239
62 HD22 ASN 8 2HD2 ASN 8 1.234 2.128 -7.921
63 H GLY 9 H GLY 9 -3.276 3.914 -3.593
64 HA2 GLY 9 2HA GLY 9 -5.380 3.584 -2.606
65 HA3 GLY 9 1HA GLY 9 -6.010 3.973 -4.204
66 H LYS 10 H LYS 10 -7.020 2.410 -5.313
67 HA LYS 10 HA LYS 10 -7.639 -0.123 -4.161
68 HB2 LYS 10 2HB LYS 10 -7.757 0.859 -7.028
69 HB3 LYS 10 1HB LYS 10 -8.603 -0.561 -6.420
70 HG2 LYS 10 2HG LYS 10 -9.051 1.960 -4.904
71 HG3 LYS 10 1HG LYS 10 -9.733 1.900 -6.530
72 HD2 LYS 10 2HD LYS 10 -11.018 -0.039 -6.036
73 HD3 LYS 10 1HD LYS 10 -10.141 -0.329 -4.533
74 HE2 LYS 10 2HE LYS 10 -12.375 0.678 -4.076
75 HE3 LYS 10 1HE LYS 10 -11.078 1.781 -3.590
76 HZ1 LYS 10 3HZ LYS 10 -13.074 2.409 -5.299
77 HZ2 LYS 10 1HZ LYS 10 -11.823 2.003 -6.366
78 HZ3 LYS 10 2HZ LYS 10 -11.585 3.219 -5.206
79 H ARG 11 H ARG 11 -4.987 0.905 -6.186
80 HA ARG 11 HA ARG 11 -4.194 -1.879 -6.826
81 HB2 ARG 11 2HB ARG 11 -2.855 0.795 -7.389
82 HB3 ARG 11 1HB ARG 11 -2.392 -0.756 -8.075
83 HG2 ARG 11 2HG ARG 11 -4.289 -0.911 -9.406
84 HG3 ARG 11 1HG ARG 11 -5.222 0.189 -8.393
85 HD2 ARG 11 2HD ARG 11 -2.766 1.187 -9.840
86 HD3 ARG 11 1HD ARG 11 -4.330 1.098 -10.679
87 HE ARG 11 HE ARG 11 -4.896 2.296 -8.208
88 HH11 ARG 11 1HH2 ARG 11 -2.786 2.943 -10.907
89 HH12 ARG 11 2HH2 ARG 11 -2.902 4.658 -10.746
90 HH21 ARG 11 1HH1 ARG 11 -5.009 4.533 -7.977
91 HH22 ARG 11 2HH1 ARG 11 -4.160 5.564 -9.079
92 H GLY 12 H GLY 12 -3.626 0.428 -4.377
93 HA2 GLY 12 2HA GLY 12 -1.067 -0.875 -3.586
94 HA3 GLY 12 1HA GLY 12 -1.641 0.681 -2.994
95 H CYS 13 H CYS 13 -4.396 -0.344 -2.470
96 HA CYS 13 HA CYS 13 -4.022 -1.155 0.251
97 HB2 CYS 13 2HB CYS 13 -6.035 -0.069 -0.943
98 HB3 CYS 13 1HB CYS 13 -6.472 -1.704 -1.437
99 H GLY 14 H GLY 14 -3.438 -3.133 1.035
100 HA2 GLY 14 2HA GLY 14 -4.505 -5.631 0.330
101 HA3 GLY 14 1HA GLY 14 -3.063 -5.426 -0.673
102 H ARG 15 H ARG 15 -2.760 -7.463 0.990
103 HA ARG 15 HA ARG 15 -2.055 -7.034 3.690
104 HB2 ARG 15 2HB ARG 15 -0.818 -9.139 3.459
105 HB3 ARG 15 1HB ARG 15 -2.319 -9.226 2.541
106 HG2 ARG 15 2HG ARG 15 -1.069 -8.662 0.468
107 HG3 ARG 15 1HG ARG 15 0.430 -8.637 1.398
108 HD2 ARG 15 2HD ARG 15 0.335 -10.819 0.413
109 HD3 ARG 15 1HD ARG 15 -0.174 -11.055 2.092
110 HE ARG 15 HE ARG 15 -2.000 -10.936 -0.264
111 HH11 ARG 15 1HH2 ARG 15 -1.492 -11.412 3.175
112 HH12 ARG 15 2HH2 ARG 15 -3.020 -12.192 3.403
113 HH21 ARG 15 1HH1 ARG 15 -3.963 -11.959 0.065
114 HH22 ARG 15 2HH1 ARG 15 -4.406 -12.509 1.648
115 H TRP 16 H TRP 16 0.026 -6.724 0.787
116 HA TRP 16 HA TRP 16 2.507 -6.161 2.069
117 HB2 TRP 16 2HB TRP 16 2.104 -6.507 -0.368
118 HB3 TRP 16 1HB TRP 16 1.310 -4.932 -0.435
119 HD1 TRP 16 HD TRP 16 4.722 -6.551 0.063
120 HE1 TRP 16 1HE TRP 16 6.533 -4.771 -0.209
121 HE3 TRP 16 3HE TRP 16 1.812 -2.379 -0.268
122 HZ2 TRP 16 2HZ TRP 16 6.743 -1.926 -0.544
123 HZ3 TRP 16 3HZ TRP 16 2.848 -0.137 -0.560
124 HH2 TRP 16 HH TRP 16 5.289 0.084 -0.708
125 H CYS 17 H CYS 17 -0.029 -3.915 0.955
126 HA CYS 17 HA CYS 17 1.110 -1.528 2.032
127 HB2 CYS 17 2HB CYS 17 -0.592 -0.998 0.619
128 HB3 CYS 17 1HB CYS 17 -1.421 -2.513 0.894
129 H ARG 18 H ARG 18 -1.477 -3.645 3.323
130 HA ARG 18 HA ARG 18 -1.900 -2.387 5.809
131 HB2 ARG 18 2HB ARG 18 -2.699 -4.691 4.519
132 HB3 ARG 18 1HB ARG 18 -1.810 -5.325 5.903
133 HG2 ARG 18 2HG ARG 18 -3.141 -3.866 7.405
134 HG3 ARG 18 1HG ARG 18 -4.072 -3.311 6.015
135 HD2 ARG 18 2HD ARG 18 -3.816 -6.255 6.494
136 HD3 ARG 18 1HD ARG 18 -4.968 -5.325 7.463
137 HE ARG 18 HE ARG 18 -5.148 -5.829 4.576
138 HH11 ARG 18 1HH2 ARG 18 -6.063 -3.777 7.232
139 HH12 ARG 18 2HH2 ARG 18 -7.509 -3.220 6.467
140 HH21 ARG 18 1HH1 ARG 18 -7.042 -5.118 3.576
141 HH22 ARG 18 2HH1 ARG 18 -8.068 -3.980 4.380
142 H ASP 19 H ASP 19 0.772 -4.483 4.804
143 HA ASP 19 HA ASP 19 1.885 -4.573 7.551
144 HB2 ASP 19 2HB ASP 19 1.820 -6.516 5.934
145 HB3 ASP 19 1HB ASP 19 2.966 -5.639 4.922
146 H HIS 20 H HIS 20 2.912 -3.397 4.323
147 HA HIS 20 HA HIS 20 5.201 -1.953 5.522
148 HB2 HIS 20 2HB HIS 20 4.146 -2.586 2.769
149 HB3 HIS 20 1HB HIS 20 5.405 -1.373 2.964
150 HD1 HIS 20 1HD HIS 20 7.771 -2.189 3.400
151 HD2 HIS 20 2HD HIS 20 4.952 -5.253 3.674
152 HE1 HIS 20 1HE HIS 20 9.079 -4.346 3.596
153 H SER 21 H SER 21 2.352 -1.091 3.561
154 HA SER 21 HA SER 21 2.751 1.752 3.681
155 HB2 SER 21 2HB SER 21 0.321 0.010 3.166
156 HB3 SER 21 1HB SER 21 0.370 1.734 2.858
157 HG SER 21 HG SER 21 2.095 1.367 1.412
158 H ARG 22 H ARG 22 0.978 3.212 4.658
159 HA ARG 22 HA ARG 22 0.555 2.409 7.504
160 HB2 ARG 22 2HB ARG 22 0.450 5.121 6.131
161 HB3 ARG 22 1HB ARG 22 0.408 4.838 7.873
162 HG2 ARG 22 2HG ARG 22 2.679 3.441 6.989
163 HG3 ARG 22 1HG ARG 22 2.709 4.951 6.077
164 HD2 ARG 22 2HD ARG 22 3.317 6.129 7.922
165 HD3 ARG 22 1HD ARG 22 2.003 5.424 8.876
166 HE ARG 22 HE ARG 22 4.748 4.333 8.630
167 HH11 ARG 22 1HH2 ARG 22 1.443 3.920 9.683
168 HH12 ARG 22 2HH2 ARG 22 1.822 2.655 10.797
169 HH21 ARG 22 1HH1 ARG 22 5.230 2.668 10.085
170 HH22 ARG 22 2HH1 ARG 22 3.970 1.958 11.032
171 H CYS 23 H CYS 23 -1.137 3.758 4.658
172 HA CYS 23 HA CYS 23 -3.732 3.740 6.066
173 HB2 CYS 23 2HB CYS 23 -4.483 4.358 3.653
174 HB3 CYS 23 1HB CYS 23 -3.496 5.514 4.538
175 H CYS 24 H CYS 24 -5.598 2.485 5.109
176 HA CYS 24 HA CYS 24 -6.591 0.455 4.424
177 HB2 CYS 24 2HB CYS 24 -4.431 1.075 2.588
178 HB3 CYS 24 1HB CYS 24 -4.660 -0.660 2.722
179 HN1 NH2 25 2H CYS 24 -4.211 -1.158 6.961
180 HN2 NH2 25 1H CYS 24 -4.777 0.436 6.826
Start of MODEL 20
1 H1 VAL 1 1HT VAL 1 10.265 -0.443 2.823
2 H2 VAL 1 2HT VAL 1 9.909 1.008 3.628
3 H3 VAL 1 3HT VAL 1 11.247 0.920 2.596
4 HA VAL 1 HA VAL 1 9.842 1.908 1.141
5 HB VAL 1 HB VAL 1 8.772 -0.930 0.966
6 HG11 VAL 1 2HG1 VAL 1 7.818 0.475 -0.710
7 HG12 VAL 1 3HG1 VAL 1 9.130 -0.377 -1.522
8 HG13 VAL 1 1HG1 VAL 1 9.348 1.298 -0.998
9 HG21 VAL 1 1HG2 VAL 1 10.979 -1.540 1.033
10 HG22 VAL 1 2HG2 VAL 1 11.546 0.082 0.640
11 HG23 VAL 1 3HG2 VAL 1 10.952 -0.976 -0.634
12 H DAL 2 H ALA 2 7.605 2.445 0.510
13 HA DAL 2 HA ALA 2 5.839 2.760 2.795
14 HB1 DAL 2 1HB ALA 2 5.651 0.346 1.435
15 HB2 DAL 2 2HB ALA 2 4.338 1.312 0.757
16 HB3 DAL 2 3HB ALA 2 4.427 1.022 2.493
17 H GLU 3 H GLU 3 5.470 2.463 -0.764
18 HA GLU 3 HA GLU 3 4.304 5.218 -0.763
19 HB2 GLU 3 2HB GLU 3 5.699 5.596 -2.828
20 HB3 GLU 3 1HB GLU 3 6.633 5.388 -1.348
21 HG2 GLU 3 2HG GLU 3 7.589 3.479 -2.090
22 HG3 GLU 3 1HG GLU 3 6.067 2.850 -2.714
23 H ARG 4 H ARG 4 3.985 1.979 -1.880
24 HA ARG 4 HA ARG 4 2.629 2.648 -4.394
25 HB2 ARG 4 2HB ARG 4 2.935 0.076 -2.814
26 HB3 ARG 4 1HB ARG 4 2.251 0.179 -4.429
27 HG2 ARG 4 2HG ARG 4 5.019 1.215 -3.761
28 HG3 ARG 4 1HG ARG 4 4.720 -0.426 -4.338
29 HD2 ARG 4 2HD ARG 4 4.232 0.268 -6.466
30 HD3 ARG 4 1HD ARG 4 3.431 1.746 -5.899
31 HE ARG 4 HE ARG 4 5.560 2.842 -5.765
32 HH11 ARG 4 1HH2 ARG 4 5.832 -0.560 -6.486
33 HH12 ARG 4 2HH2 ARG 4 7.487 -0.446 -6.984
34 HH21 ARG 4 1HH1 ARG 4 7.719 2.979 -6.387
35 HH22 ARG 4 2HH1 ARG 4 8.565 1.564 -6.920
36 H CYS 5 H CYS 5 1.599 1.430 -1.208
37 HA CYS 5 HA CYS 5 -1.068 0.836 -1.630
38 HB2 CYS 5 2HB CYS 5 0.234 0.553 0.435
39 HB3 CYS 5 1HB CYS 5 0.152 2.287 0.719
40 H CYS 6 H CYS 6 -0.406 3.935 0.007
41 HA CYS 6 HA CYS 6 -2.868 5.125 -0.451
42 HB2 CYS 6 2HB CYS 6 -0.095 6.007 0.090
43 HB3 CYS 6 1HB CYS 6 -1.178 7.259 -0.502
44 H LYS 7 H LYS 7 -0.001 5.365 -2.607
45 HA LYS 7 HA LYS 7 -1.120 7.080 -4.578
46 HB2 LYS 7 2HB LYS 7 0.890 4.817 -4.667
47 HB3 LYS 7 1HB LYS 7 0.569 5.853 -6.059
48 HG2 LYS 7 2HG LYS 7 0.934 7.665 -3.992
49 HG3 LYS 7 1HG LYS 7 2.112 6.406 -3.635
50 HD2 LYS 7 2HD LYS 7 1.807 7.712 -6.346
51 HD3 LYS 7 1HD LYS 7 2.978 8.230 -5.137
52 HE2 LYS 7 2HE LYS 7 2.840 5.399 -6.246
53 HE3 LYS 7 1HE LYS 7 3.953 6.650 -6.837
54 HZ1 LYS 7 3HZ LYS 7 5.095 5.439 -5.141
55 HZ2 LYS 7 1HZ LYS 7 3.772 5.572 -4.072
56 HZ3 LYS 7 2HZ LYS 7 4.675 6.948 -4.485
57 H ASN 8 H ASN 8 -1.207 3.511 -4.368
58 HA ASN 8 HA ASN 8 -2.601 3.156 -6.879
59 HB2 ASN 8 2HB ASN 8 -1.547 1.599 -4.640
60 HB3 ASN 8 1HB ASN 8 -2.977 0.884 -5.352
61 HD21 ASN 8 1HD2 ASN 8 0.347 1.396 -5.755
62 HD22 ASN 8 2HD2 ASN 8 0.505 0.786 -7.332
63 H GLY 9 H GLY 9 -3.782 4.258 -3.903
64 HA2 GLY 9 2HA GLY 9 -5.961 4.514 -3.084
65 HA3 GLY 9 1HA GLY 9 -6.484 4.331 -4.756
66 H LYS 10 H LYS 10 -7.817 2.648 -5.057
67 HA LYS 10 HA LYS 10 -8.375 0.638 -3.115
68 HB2 LYS 10 2HB LYS 10 -9.046 1.294 -5.899
69 HB3 LYS 10 1HB LYS 10 -9.146 -0.428 -5.536
70 HG2 LYS 10 2HG LYS 10 -11.192 0.028 -4.700
71 HG3 LYS 10 1HG LYS 10 -10.338 0.737 -3.332
72 HD2 LYS 10 2HD LYS 10 -10.579 2.928 -4.143
73 HD3 LYS 10 1HD LYS 10 -10.839 2.391 -5.800
74 HE2 LYS 10 2HE LYS 10 -12.961 3.166 -4.828
75 HE3 LYS 10 1HE LYS 10 -13.037 1.412 -5.095
76 HZ1 LYS 10 3HZ LYS 10 -12.296 1.093 -2.789
77 HZ2 LYS 10 1HZ LYS 10 -13.761 1.934 -2.868
78 HZ3 LYS 10 2HZ LYS 10 -12.325 2.774 -2.546
79 H ARG 11 H ARG 11 -6.036 0.790 -5.705
80 HA ARG 11 HA ARG 11 -5.334 -2.044 -5.676
81 HB2 ARG 11 2HB ARG 11 -3.743 0.363 -6.624
82 HB3 ARG 11 1HB ARG 11 -3.446 -1.307 -7.068
83 HG2 ARG 11 2HG ARG 11 -5.360 -1.445 -8.402
84 HG3 ARG 11 1HG ARG 11 -6.137 -0.079 -7.600
85 HD2 ARG 11 2HD ARG 11 -4.697 1.505 -8.676
86 HD3 ARG 11 1HD ARG 11 -3.591 0.232 -9.227
87 HE ARG 11 HE ARG 11 -6.037 -0.520 -10.297
88 HH11 ARG 11 1HH2 ARG 11 -4.024 2.317 -10.402
89 HH12 ARG 11 2HH2 ARG 11 -4.622 2.840 -11.932
90 HH21 ARG 11 1HH1 ARG 11 -6.782 0.166 -12.343
91 HH22 ARG 11 2HH1 ARG 11 -6.156 1.622 -13.036
92 H GLY 12 H GLY 12 -4.576 0.689 -3.744
93 HA2 GLY 12 2HA GLY 12 -2.045 -0.238 -2.719
94 HA3 GLY 12 1HA GLY 12 -3.048 1.016 -1.998
95 H CYS 13 H CYS 13 -5.415 -0.846 -1.865
96 HA CYS 13 HA CYS 13 -4.912 -1.899 0.775
97 HB2 CYS 13 2HB CYS 13 -7.084 -1.926 -1.275
98 HB3 CYS 13 1HB CYS 13 -7.190 -3.100 0.035
99 H GLY 14 H GLY 14 -3.151 -3.322 0.630
100 HA2 GLY 14 2HA GLY 14 -3.807 -6.025 -0.305
101 HA3 GLY 14 1HA GLY 14 -2.439 -5.268 -1.124
102 H ARG 15 H ARG 15 -1.926 -7.544 0.344
103 HA ARG 15 HA ARG 15 -1.314 -7.330 3.100
104 HB2 ARG 15 2HB ARG 15 0.330 -8.679 0.932
105 HB3 ARG 15 1HB ARG 15 0.314 -9.098 2.639
106 HG2 ARG 15 2HG ARG 15 -2.392 -9.100 1.665
107 HG3 ARG 15 1HG ARG 15 -1.404 -10.059 0.569
108 HD2 ARG 15 2HD ARG 15 -2.103 -10.570 3.441
109 HD3 ARG 15 1HD ARG 15 -1.878 -11.728 2.121
110 HE ARG 15 HE ARG 15 0.205 -10.716 3.896
111 HH11 ARG 15 1HH2 ARG 15 -0.499 -11.988 0.726
112 HH12 ARG 15 2HH2 ARG 15 1.109 -12.568 0.472
113 HH21 ARG 15 1HH1 ARG 15 2.316 -11.488 3.533
114 HH22 ARG 15 2HH1 ARG 15 2.688 -12.281 2.039
115 H TRP 16 H TRP 16 0.835 -6.581 0.336
116 HA TRP 16 HA TRP 16 3.120 -5.712 1.725
117 HB2 TRP 16 2HB TRP 16 2.751 -5.998 -0.771
118 HB3 TRP 16 1HB TRP 16 1.949 -4.426 -0.759
119 HD1 TRP 16 HD TRP 16 5.345 -6.069 -0.145
120 HE1 TRP 16 1HE TRP 16 7.166 -4.267 -0.299
121 HE3 TRP 16 3HE TRP 16 2.439 -1.899 -0.580
122 HZ2 TRP 16 2HZ TRP 16 7.371 -1.433 -0.568
123 HZ3 TRP 16 3HZ TRP 16 3.476 0.342 -0.781
124 HH2 TRP 16 HH TRP 16 5.942 0.570 -0.788
125 H CYS 17 H CYS 17 0.425 -3.626 0.580
126 HA CYS 17 HA CYS 17 1.268 -1.243 1.903
127 HB2 CYS 17 2HB CYS 17 -0.431 -1.019 0.291
128 HB3 CYS 17 1HB CYS 17 -1.324 -2.390 0.915
129 H ARG 18 H ARG 18 -1.039 -3.787 2.900
130 HA ARG 18 HA ARG 18 -1.834 -2.895 5.414
131 HB2 ARG 18 2HB ARG 18 -1.488 -5.428 3.978
132 HB3 ARG 18 1HB ARG 18 -1.406 -5.632 5.723
133 HG2 ARG 18 2HG ARG 18 -3.599 -4.960 6.044
134 HG3 ARG 18 1HG ARG 18 -3.589 -3.909 4.628
135 HD2 ARG 18 2HD ARG 18 -4.970 -5.742 3.984
136 HD3 ARG 18 1HD ARG 18 -3.398 -6.104 3.246
137 HE ARG 18 HE ARG 18 -3.571 -7.152 5.959
138 HH11 ARG 18 1HH2 ARG 18 -4.461 -7.714 2.642
139 HH12 ARG 18 2HH2 ARG 18 -4.557 -9.428 2.824
140 HH21 ARG 18 1HH1 ARG 18 -3.687 -9.387 6.202
141 HH22 ARG 18 2HH1 ARG 18 -4.106 -10.387 4.856
142 H ASP 19 H ASP 19 1.280 -4.355 4.537
143 HA ASP 19 HA ASP 19 2.205 -4.287 7.363
144 HB2 ASP 19 2HB ASP 19 2.561 -6.006 5.227
145 HB3 ASP 19 1HB ASP 19 4.066 -5.087 5.227
146 H HIS 20 H HIS 20 3.223 -3.018 4.176
147 HA HIS 20 HA HIS 20 5.333 -1.353 5.392
148 HB2 HIS 20 2HB HIS 20 4.324 -2.087 2.672
149 HB3 HIS 20 1HB HIS 20 5.340 -0.667 2.834
150 HD1 HIS 20 1HD HIS 20 7.788 -0.984 3.524
151 HD2 HIS 20 2HD HIS 20 5.663 -4.559 3.184
152 HE1 HIS 20 1HE HIS 20 9.509 -2.844 3.466
153 H SER 21 H SER 21 2.186 -0.816 3.829
154 HA SER 21 HA SER 21 2.531 2.114 3.979
155 HB2 SER 21 2HB SER 21 0.423 0.238 2.905
156 HB3 SER 21 1HB SER 21 0.323 1.980 2.749
157 HG SER 21 HG SER 21 2.397 1.869 1.688
158 H ARG 22 H ARG 22 0.784 3.456 4.867
159 HA ARG 22 HA ARG 22 -0.225 2.392 7.459
160 HB2 ARG 22 2HB ARG 22 -0.120 5.186 6.266
161 HB3 ARG 22 1HB ARG 22 -0.566 4.797 7.927
162 HG2 ARG 22 2HG ARG 22 2.001 3.608 7.137
163 HG3 ARG 22 1HG ARG 22 2.003 5.371 7.051
164 HD2 ARG 22 2HD ARG 22 2.617 4.911 9.308
165 HD3 ARG 22 1HD ARG 22 0.886 5.275 9.404
166 HE ARG 22 HE ARG 22 1.526 2.432 8.917
167 HH11 ARG 22 1HH2 ARG 22 0.849 4.937 11.252
168 HH12 ARG 22 2HH2 ARG 22 0.309 3.827 12.463
169 HH21 ARG 22 1HH1 ARG 22 0.863 0.990 10.530
170 HH22 ARG 22 2HH1 ARG 22 0.321 1.596 12.058
171 H CYS 23 H CYS 23 -1.413 4.083 4.517
172 HA CYS 23 HA CYS 23 -4.196 4.008 5.328
173 HB2 CYS 23 2HB CYS 23 -4.470 4.382 2.745
174 HB3 CYS 23 1HB CYS 23 -3.716 5.634 3.710
175 H CYS 24 H CYS 24 -5.864 2.713 3.996
176 HA CYS 24 HA CYS 24 -6.739 0.639 3.319
177 HB2 CYS 24 2HB CYS 24 -3.998 0.820 2.198
178 HB3 CYS 24 1HB CYS 24 -4.663 -0.811 2.286
179 HN1 NH2 25 2H CYS 24 -5.445 -2.289 5.191
180 HN2 NH2 25 1H CYS 24 -5.953 -1.967 3.605
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