Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608528 | 5kwp RC | 30141 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR 1 1HT THR 1 -4.707 -7.192 1.046
2 H2 THR 1 2HT THR 1 -3.691 -8.209 1.980
3 H3 THR 1 3HT THR 1 -3.033 -7.110 0.877
4 HA THR 1 HA THR 1 -4.592 -6.334 3.212
5 HB THR 1 HB THR 1 -1.596 -6.187 2.833
6 HG1 THR 1 1HG THR 1 -2.823 -8.086 4.524
7 HG21 THR 1 1HG2 THR 1 -1.669 -5.979 5.304
8 HG22 THR 1 2HG2 THR 1 -3.431 -6.015 5.232
9 HG23 THR 1 3HG2 THR 1 -2.542 -4.684 4.489
10 H CYS 2 H CYS 2 -5.115 -4.183 3.100
11 HA CYS 2 HA CYS 2 -3.974 -2.645 0.883
12 HB2 CYS 2 2HB CYS 2 -6.673 -2.361 2.204
13 HB3 CYS 2 1HB CYS 2 -6.057 -1.353 0.904
14 H VAL 3 H VAL 3 -2.636 -1.150 1.512
15 HA VAL 3 HA VAL 3 -3.081 0.135 4.095
16 HB VAL 3 HB VAL 3 -0.754 1.026 3.899
17 HG11 VAL 3 1HG1 VAL 3 -0.929 -1.970 3.627
18 HG12 VAL 3 2HG1 VAL 3 -1.091 -1.039 5.118
19 HG13 VAL 3 3HG1 VAL 3 0.452 -1.080 4.267
20 HG21 VAL 3 1HG2 VAL 3 -0.607 -0.687 1.421
21 HG22 VAL 3 2HG2 VAL 3 0.769 0.107 2.185
22 HG23 VAL 3 3HG2 VAL 3 -0.529 1.075 1.479
23 H GLU 4 H GLU 4 -3.505 2.283 4.163
24 HA GLU 4 HA GLU 4 -3.922 3.545 1.548
25 HB2 GLU 4 2HB GLU 4 -5.721 3.740 3.970
26 HB3 GLU 4 1HB GLU 4 -5.996 4.494 2.404
27 HG2 GLU 4 2HG GLU 4 -6.206 2.328 1.354
28 HG3 GLU 4 1HG GLU 4 -5.825 1.526 2.870
29 H CYS 5 H CYS 5 -2.952 5.402 1.330
30 HA CYS 5 HA CYS 5 -2.362 7.019 3.682
31 HB2 CYS 5 2HB CYS 5 -0.084 7.464 2.739
32 HB3 CYS 5 1HB CYS 5 -0.309 5.814 3.311
33 H DAL 6 H DAL 6 -3.236 8.915 3.362
34 HA DAL 6 HA DAL 6 -2.662 10.641 1.295
35 HB1 DAL 6 1HB DAL 6 -4.361 12.107 2.149
36 HB2 DAL 6 2HB DAL 6 -3.511 11.342 3.493
37 HB3 DAL 6 3HB DAL 6 -5.117 10.780 3.029
38 HA DPR 7 HA DPR 7 -6.653 9.600 -1.103
39 HB2 DPR 7 1HB DPR 7 -8.138 7.445 -0.542
40 HB3 DPR 7 2HB DPR 7 -8.329 8.951 0.368
41 HG2 DPR 7 1HG DPR 7 -6.787 6.481 1.095
42 HG3 DPR 7 2HG DPR 7 -7.922 7.411 2.090
43 HD2 DPR 7 1HD DPR 7 -5.222 7.711 2.250
44 HD3 DPR 7 2HD DPR 7 -6.363 9.031 2.569
45 H VAL 8 H VAL 8 -4.000 7.758 -0.590
46 HA VAL 8 HA VAL 8 -4.347 6.298 -3.073
47 HB VAL 8 HB VAL 8 -1.901 6.502 -1.261
48 HG11 VAL 8 1HG1 VAL 8 -2.131 5.464 -4.089
49 HG12 VAL 8 2HG1 VAL 8 -1.861 4.489 -2.646
50 HG13 VAL 8 3HG1 VAL 8 -0.632 5.640 -3.175
51 HG21 VAL 8 1HG2 VAL 8 -2.480 8.672 -2.197
52 HG22 VAL 8 2HG2 VAL 8 -2.538 7.978 -3.816
53 HG23 VAL 8 3HG2 VAL 8 -1.006 8.056 -2.948
54 H LYS 9 H LYS 9 -4.705 4.162 -3.150
55 HA LYS 9 HA LYS 9 -4.949 2.739 -0.588
56 HB2 LYS 9 2HB LYS 9 -7.054 3.428 -1.863
57 HB3 LYS 9 1HB LYS 9 -6.542 2.319 -3.116
58 HG2 LYS 9 2HG LYS 9 -6.626 0.489 -1.411
59 HG3 LYS 9 1HG LYS 9 -7.348 1.655 -0.296
60 HD2 LYS 9 2HD LYS 9 -9.079 2.107 -2.078
61 HD3 LYS 9 1HD LYS 9 -8.446 0.702 -2.930
62 HE2 LYS 9 2HE LYS 9 -10.324 -0.027 -1.690
63 HE3 LYS 9 1HE LYS 9 -8.900 -0.626 -0.837
64 HZ1 LYS 9 1HZ LYS 9 -10.517 1.758 -0.114
65 HZ2 LYS 9 2HZ LYS 9 -9.148 1.297 0.717
66 HZ3 LYS 9 3HZ LYS 9 -10.501 0.294 0.701
67 H VAL 10 H VAL 10 -3.173 1.389 -0.589
68 HA VAL 10 HA VAL 10 -2.495 0.114 -3.135
69 HB VAL 10 HB VAL 10 -0.760 0.394 -0.663
70 HG11 VAL 10 1HG1 VAL 10 -0.090 -0.642 -3.418
71 HG12 VAL 10 2HG1 VAL 10 -0.236 -1.604 -1.947
72 HG13 VAL 10 3HG1 VAL 10 1.057 -0.413 -2.095
73 HG21 VAL 10 1HG2 VAL 10 -0.644 1.862 -3.300
74 HG22 VAL 10 2HG2 VAL 10 0.549 1.989 -2.011
75 HG23 VAL 10 3HG2 VAL 10 -1.103 2.547 -1.741
76 H CYS 11 H CYS 11 -3.389 -1.787 -3.335
77 HA CYS 11 HA CYS 11 -3.648 -3.487 -0.961
78 HB2 CYS 11 2HB CYS 11 -5.223 -3.484 -3.539
79 HB3 CYS 11 1HB CYS 11 -5.415 -4.677 -2.260
80 H ARG 12 H ARG 12 -2.049 -4.854 -0.856
81 HA ARG 12 HA ARG 12 -1.353 -6.422 -3.232
82 HB2 ARG 12 2HB ARG 12 0.687 -5.319 -1.250
83 HB3 ARG 12 1HB ARG 12 1.044 -6.396 -2.577
84 HG2 ARG 12 2HG ARG 12 0.082 -3.551 -2.822
85 HG3 ARG 12 1HG ARG 12 1.733 -4.113 -3.063
86 HD2 ARG 12 2HD ARG 12 0.958 -5.475 -4.976
87 HD3 ARG 12 1HD ARG 12 -0.679 -4.858 -4.731
88 HE ARG 12 HE ARG 12 1.480 -2.945 -5.132
89 HH11 ARG 12 1HH1 ARG 12 -1.278 -4.605 -6.644
90 HH12 ARG 12 2HH1 ARG 12 -1.502 -3.384 -7.812
91 HH21 ARG 12 1HH2 ARG 12 1.115 -1.300 -6.689
92 HH22 ARG 12 2HH2 ARG 12 -0.116 -1.474 -7.859
93 HA PRO 13 HA PRO 13 -1.959 -9.920 -0.580
94 HB2 PRO 13 2HB PRO 13 0.787 -10.856 -1.222
95 HB3 PRO 13 1HB PRO 13 -0.759 -11.701 -1.376
96 HG2 PRO 13 2HG PRO 13 0.492 -10.766 -3.528
97 HG3 PRO 13 1HG PRO 13 -1.271 -10.678 -3.383
98 HD2 PRO 13 2HD PRO 13 0.769 -8.534 -3.041
99 HD3 PRO 13 1HD PRO 13 -0.855 -8.441 -3.761
100 H ASP 14 H ASP 14 1.373 -8.731 -0.373
101 HA ASP 14 HA ASP 14 1.316 -9.320 2.484
102 HB2 ASP 14 2HB ASP 14 3.668 -8.740 0.678
103 HB3 ASP 14 1HB ASP 14 3.776 -8.980 2.417
104 HA PRO 15 HA PRO 15 0.710 -5.015 3.391
105 HB2 PRO 15 2HB PRO 15 1.908 -5.088 5.892
106 HB3 PRO 15 1HB PRO 15 0.220 -5.484 5.577
107 HG2 PRO 15 2HG PRO 15 2.567 -7.291 5.930
108 HG3 PRO 15 1HG PRO 15 0.896 -7.509 6.473
109 HD2 PRO 15 2HD PRO 15 1.873 -8.808 4.363
110 HD3 PRO 15 1HD PRO 15 0.190 -8.238 4.394
111 H GLU 16 H GLU 16 3.764 -6.585 3.960
112 HA GLU 16 HA GLU 16 5.350 -4.259 4.215
113 HB2 GLU 16 2HB GLU 16 6.096 -7.078 3.462
114 HB3 GLU 16 1HB GLU 16 7.234 -5.821 3.934
115 HG2 GLU 16 2HG GLU 16 6.348 -5.724 6.136
116 HG3 GLU 16 1HG GLU 16 4.987 -6.751 5.696
117 H GLU 17 H GLU 17 4.579 -6.384 1.487
118 HA GLU 17 HA GLU 17 6.199 -5.052 -0.416
119 HB2 GLU 17 2HB GLU 17 5.244 -7.336 -0.727
120 HB3 GLU 17 1HB GLU 17 3.649 -6.616 -0.882
121 HG2 GLU 17 2HG GLU 17 4.507 -7.130 -3.067
122 HG3 GLU 17 1HG GLU 17 4.430 -5.379 -2.861
123 H ALA 18 H ALA 18 2.867 -4.729 0.628
124 HA ALA 18 HA ALA 18 2.002 -2.777 -1.171
125 HB1 ALA 18 1HB ALA 18 1.135 -3.136 1.704
126 HB2 ALA 18 2HB ALA 18 0.495 -4.042 0.337
127 HB3 ALA 18 3HB ALA 18 0.234 -2.303 0.435
128 H ARG 19 H ARG 19 3.310 -2.419 2.108
129 HA ARG 19 HA ARG 19 3.440 0.354 2.193
130 HB2 ARG 19 2HB ARG 19 4.967 -1.793 3.556
131 HB3 ARG 19 1HB ARG 19 5.412 -0.110 3.773
132 HG2 ARG 19 2HG ARG 19 3.224 0.383 4.662
133 HG3 ARG 19 1HG ARG 19 2.712 -1.286 4.364
134 HD2 ARG 19 2HD ARG 19 3.445 -0.801 6.715
135 HD3 ARG 19 1HD ARG 19 4.276 -2.135 5.905
136 HE ARG 19 HE ARG 19 5.596 0.432 5.707
137 HH11 ARG 19 1HH1 ARG 19 5.330 -2.594 7.525
138 HH12 ARG 19 2HH1 ARG 19 6.888 -2.475 8.187
139 HH21 ARG 19 1HH2 ARG 19 7.693 0.581 6.590
140 HH22 ARG 19 2HH2 ARG 19 8.257 -0.612 7.681
141 H ARG 20 H ARG 20 5.795 -1.975 0.991
142 HA ARG 20 HA ARG 20 7.926 -0.285 0.674
143 HB2 ARG 20 2HB ARG 20 8.177 -2.690 0.456
144 HB3 ARG 20 1HB ARG 20 7.194 -2.705 -0.995
145 HG2 ARG 20 2HG ARG 20 8.877 -1.778 -2.297
146 HG3 ARG 20 1HG ARG 20 9.720 -1.109 -0.903
147 HD2 ARG 20 2HD ARG 20 10.941 -3.003 -1.847
148 HD3 ARG 20 1HD ARG 20 10.397 -3.346 -0.217
149 HE ARG 20 HE ARG 20 8.504 -4.415 -2.002
150 HH11 ARG 20 1HH1 ARG 20 11.878 -4.914 -1.072
151 HH12 ARG 20 2HH1 ARG 20 11.893 -6.566 -1.480
152 HH21 ARG 20 1HH2 ARG 20 8.523 -6.703 -2.553
153 HH22 ARG 20 2HH2 ARG 20 9.953 -7.590 -2.318
154 H GLU 21 H GLU 21 5.239 -0.701 -1.587
155 HA GLU 21 HA GLU 21 6.427 1.408 -3.186
156 HB2 GLU 21 2HB GLU 21 4.565 1.131 -4.774
157 HB3 GLU 21 1HB GLU 21 5.419 -0.371 -4.492
158 HG2 GLU 21 2HG GLU 21 3.610 -1.081 -2.984
159 HG3 GLU 21 1HG GLU 21 2.763 0.427 -3.333
160 H ALA 22 H ALA 22 3.756 0.995 -0.952
161 HA ALA 22 HA ALA 22 2.390 3.383 -1.438
162 HB1 ALA 22 1HB ALA 22 1.511 1.522 -0.070
163 HB2 ALA 22 2HB ALA 22 1.361 3.096 0.709
164 HB3 ALA 22 3HB ALA 22 2.631 1.983 1.213
165 H GLU 23 H GLU 23 4.920 2.730 0.989
166 HA GLU 23 HA GLU 23 4.898 5.434 1.926
167 HB2 GLU 23 2HB GLU 23 6.962 3.277 2.368
168 HB3 GLU 23 1HB GLU 23 6.825 4.771 3.281
169 HG2 GLU 23 2HG GLU 23 4.600 4.057 4.062
170 HG3 GLU 23 1HG GLU 23 4.815 2.535 3.203
171 H GLU 24 H GLU 24 6.278 3.867 -0.684
172 HA GLU 24 HA GLU 24 8.517 5.616 -1.071
173 HB2 GLU 24 2HB GLU 24 8.503 3.341 -2.013
174 HB3 GLU 24 1HB GLU 24 7.077 3.721 -2.955
175 HG2 GLU 24 2HG GLU 24 9.135 3.669 -4.293
176 HG3 GLU 24 1HG GLU 24 8.340 5.239 -4.333
177 H ARG 25 H ARG 25 5.149 5.688 -1.650
178 HA ARG 25 HA ARG 25 5.416 8.076 -3.332
179 HB2 ARG 25 2HB ARG 25 2.946 6.457 -2.662
180 HB3 ARG 25 1HB ARG 25 2.992 7.834 -3.739
181 HG2 ARG 25 2HG ARG 25 4.363 5.183 -4.199
182 HG3 ARG 25 1HG ARG 25 2.869 5.718 -4.957
183 HD2 ARG 25 2HD ARG 25 4.619 6.028 -6.551
184 HD3 ARG 25 1HD ARG 25 4.186 7.629 -5.959
185 HE ARG 25 HE ARG 25 6.248 6.914 -4.359
186 HH11 ARG 25 1HH1 ARG 25 5.924 7.086 -7.871
187 HH12 ARG 25 2HH1 ARG 25 7.589 7.334 -8.127
188 HH21 ARG 25 1HH2 ARG 25 8.503 7.226 -4.724
189 HH22 ARG 25 2HH2 ARG 25 9.096 7.357 -6.315
190 H CYS 26 H CYS 26 3.876 6.865 -0.411
191 HA CYS 26 HA CYS 26 3.200 9.552 0.442
192 HB2 CYS 26 2HB CYS 26 2.637 6.879 1.729
193 HB3 CYS 26 1HB CYS 26 1.898 8.422 2.140
194 HN1 NH2 27 HN1 NH2 27 5.330 10.225 0.817
195 HN2 NH2 27 HN2 NH2 27 6.238 9.718 2.200
Start of MODEL 2
1 H1 THR 1 1HT THR 1 -4.826 -7.259 0.811
2 H2 THR 1 2HT THR 1 -3.993 -8.251 1.920
3 H3 THR 1 3HT THR 1 -3.142 -7.304 0.797
4 HA THR 1 HA THR 1 -4.815 -6.262 2.964
5 HB THR 1 HB THR 1 -1.803 -6.341 2.617
6 HG1 THR 1 1HG THR 1 -3.551 -7.715 4.404
7 HG21 THR 1 1HG2 THR 1 -1.739 -5.381 4.887
8 HG22 THR 1 2HG2 THR 1 -3.502 -5.283 4.890
9 HG23 THR 1 3HG2 THR 1 -2.567 -4.306 3.761
10 H CYS 2 H CYS 2 -5.632 -4.348 2.347
11 HA CYS 2 HA CYS 2 -4.159 -2.756 0.399
12 HB2 CYS 2 2HB CYS 2 -7.024 -2.546 1.346
13 HB3 CYS 2 1HB CYS 2 -6.271 -1.502 0.146
14 H VAL 3 H VAL 3 -2.979 -1.218 1.147
15 HA VAL 3 HA VAL 3 -3.581 -0.133 3.787
16 HB VAL 3 HB VAL 3 -1.280 0.739 3.818
17 HG11 VAL 3 1HG1 VAL 3 -0.102 -1.414 4.012
18 HG12 VAL 3 2HG1 VAL 3 -1.466 -2.207 3.223
19 HG13 VAL 3 3HG1 VAL 3 -1.684 -1.430 4.792
20 HG21 VAL 3 1HG2 VAL 3 -0.916 1.062 1.442
21 HG22 VAL 3 2HG2 VAL 3 -0.996 -0.676 1.170
22 HG23 VAL 3 3HG2 VAL 3 0.342 0.010 2.096
23 H GLU 4 H GLU 4 -3.393 2.147 4.091
24 HA GLU 4 HA GLU 4 -3.939 3.686 1.663
25 HB2 GLU 4 2HB GLU 4 -6.027 3.037 2.826
26 HB3 GLU 4 1HB GLU 4 -5.438 3.840 4.273
27 HG2 GLU 4 2HG GLU 4 -5.310 5.942 2.931
28 HG3 GLU 4 1HG GLU 4 -6.150 5.086 1.641
29 H CYS 5 H CYS 5 -2.986 5.646 1.662
30 HA CYS 5 HA CYS 5 -2.431 7.048 4.114
31 HB2 CYS 5 2HB CYS 5 -0.319 5.812 3.921
32 HB3 CYS 5 1HB CYS 5 -0.126 6.374 2.260
33 H DAL 6 H DAL 6 -3.430 8.880 3.657
34 HA DAL 6 HA DAL 6 -2.319 10.739 1.959
35 HB1 DAL 6 1HB DAL 6 -4.182 12.188 2.392
36 HB2 DAL 6 2HB DAL 6 -3.715 11.343 3.863
37 HB3 DAL 6 3HB DAL 6 -5.149 10.833 2.973
38 HA DPR 7 HA DPR 7 -5.285 9.985 -1.603
39 HB2 DPR 7 1HB DPR 7 -7.271 8.267 -1.575
40 HB3 DPR 7 2HB DPR 7 -7.395 9.759 -0.628
41 HG2 DPR 7 1HG DPR 7 -6.663 6.988 0.274
42 HG3 DPR 7 2HG DPR 7 -7.818 8.114 1.002
43 HD2 DPR 7 1HD DPR 7 -5.200 7.804 1.841
44 HD3 DPR 7 2HD DPR 7 -6.159 9.276 2.085
45 H VAL 8 H VAL 8 -3.209 7.939 -0.420
46 HA VAL 8 HA VAL 8 -3.019 6.414 -2.856
47 HB VAL 8 HB VAL 8 -1.237 6.384 -0.399
48 HG11 VAL 8 1HG1 VAL 8 -0.704 5.337 -3.176
49 HG12 VAL 8 2HG1 VAL 8 -0.993 4.360 -1.737
50 HG13 VAL 8 3HG1 VAL 8 0.451 5.368 -1.841
51 HG21 VAL 8 1HG2 VAL 8 0.259 7.818 -1.706
52 HG22 VAL 8 2HG2 VAL 8 -1.308 8.579 -1.427
53 HG23 VAL 8 3HG2 VAL 8 -0.938 7.874 -3.001
54 H LYS 9 H LYS 9 -3.967 4.545 -3.124
55 HA LYS 9 HA LYS 9 -4.537 2.771 -0.837
56 HB2 LYS 9 2HB LYS 9 -5.806 2.959 -3.578
57 HB3 LYS 9 1HB LYS 9 -6.186 1.736 -2.388
58 HG2 LYS 9 2HG LYS 9 -6.545 4.651 -1.858
59 HG3 LYS 9 1HG LYS 9 -7.799 3.679 -2.639
60 HD2 LYS 9 2HD LYS 9 -7.628 2.151 -0.606
61 HD3 LYS 9 1HD LYS 9 -6.677 3.432 0.150
62 HE2 LYS 9 2HE LYS 9 -8.497 4.997 -0.072
63 HE3 LYS 9 1HE LYS 9 -9.444 3.838 -0.997
64 HZ1 LYS 9 1HZ LYS 9 -9.425 2.416 1.080
65 HZ2 LYS 9 2HZ LYS 9 -10.280 3.848 1.175
66 HZ3 LYS 9 3HZ LYS 9 -8.778 3.762 1.900
67 H VAL 10 H VAL 10 -3.262 1.039 -0.797
68 HA VAL 10 HA VAL 10 -2.206 -0.046 -3.340
69 HB VAL 10 HB VAL 10 -0.636 0.253 -0.754
70 HG11 VAL 10 1HG1 VAL 10 -0.205 -1.895 -1.910
71 HG12 VAL 10 2HG1 VAL 10 1.193 -0.839 -1.831
72 HG13 VAL 10 3HG1 VAL 10 0.294 -0.989 -3.346
73 HG21 VAL 10 1HG2 VAL 10 -0.176 1.442 -3.489
74 HG22 VAL 10 2HG2 VAL 10 0.881 1.637 -2.089
75 HG23 VAL 10 3HG2 VAL 10 -0.753 2.305 -2.065
76 H CYS 11 H CYS 11 -2.850 -2.108 -3.610
77 HA CYS 11 HA CYS 11 -3.460 -3.666 -1.206
78 HB2 CYS 11 2HB CYS 11 -4.583 -3.931 -4.001
79 HB3 CYS 11 1HB CYS 11 -4.979 -4.973 -2.640
80 H ARG 12 H ARG 12 -2.010 -5.112 -0.745
81 HA ARG 12 HA ARG 12 -0.846 -6.728 -2.865
82 HB2 ARG 12 2HB ARG 12 0.728 -5.255 -0.750
83 HB3 ARG 12 1HB ARG 12 1.362 -6.656 -1.590
84 HG2 ARG 12 2HG ARG 12 0.467 -4.125 -2.944
85 HG3 ARG 12 1HG ARG 12 2.135 -4.485 -2.492
86 HD2 ARG 12 2HD ARG 12 2.046 -6.503 -3.900
87 HD3 ARG 12 1HD ARG 12 0.412 -6.064 -4.408
88 HE ARG 12 HE ARG 12 1.885 -3.864 -4.908
89 HH11 ARG 12 1HH1 ARG 12 2.252 -7.243 -5.886
90 HH12 ARG 12 2HH1 ARG 12 2.935 -6.900 -7.398
91 HH21 ARG 12 1HH2 ARG 12 2.891 -3.358 -6.912
92 HH22 ARG 12 2HH2 ARG 12 3.312 -4.584 -8.020
93 HA PRO 13 HA PRO 13 -1.812 -10.105 -0.137
94 HB2 PRO 13 2HB PRO 13 0.825 -11.243 -0.927
95 HB3 PRO 13 1HB PRO 13 -0.784 -11.954 -1.055
96 HG2 PRO 13 2HG PRO 13 0.462 -11.063 -3.220
97 HG3 PRO 13 1HG PRO 13 -1.283 -10.836 -3.009
98 HD2 PRO 13 2HD PRO 13 0.933 -8.864 -2.673
99 HD3 PRO 13 1HD PRO 13 -0.688 -8.653 -3.369
100 H ASP 14 H ASP 14 1.587 -9.111 -0.102
101 HA ASP 14 HA ASP 14 1.728 -9.584 2.774
102 HB2 ASP 14 2HB ASP 14 3.831 -8.859 0.736
103 HB3 ASP 14 1HB ASP 14 4.134 -8.750 2.455
104 HA PRO 15 HA PRO 15 1.090 -5.259 3.664
105 HB2 PRO 15 2HB PRO 15 2.252 -5.195 6.130
106 HB3 PRO 15 1HB PRO 15 0.650 -5.889 5.860
107 HG2 PRO 15 2HG PRO 15 3.296 -7.278 6.056
108 HG3 PRO 15 1HG PRO 15 1.757 -7.700 6.827
109 HD2 PRO 15 2HD PRO 15 2.591 -8.965 4.626
110 HD3 PRO 15 1HD PRO 15 0.875 -8.581 4.873
111 H GLU 16 H GLU 16 4.060 -6.966 3.695
112 HA GLU 16 HA GLU 16 5.990 -4.966 3.948
113 HB2 GLU 16 2HB GLU 16 6.440 -7.368 3.948
114 HB3 GLU 16 1HB GLU 16 5.974 -7.472 2.258
115 HG2 GLU 16 2HG GLU 16 8.310 -7.530 2.349
116 HG3 GLU 16 1HG GLU 16 7.863 -5.928 1.757
117 H GLU 17 H GLU 17 4.657 -6.431 0.993
118 HA GLU 17 HA GLU 17 5.855 -4.552 -0.729
119 HB2 GLU 17 2HB GLU 17 3.674 -6.571 -1.169
120 HB3 GLU 17 1HB GLU 17 4.300 -5.553 -2.457
121 HG2 GLU 17 2HG GLU 17 6.536 -6.477 -2.098
122 HG3 GLU 17 1HG GLU 17 5.898 -7.487 -0.803
123 H ALA 18 H ALA 18 2.732 -4.742 0.785
124 HA ALA 18 HA ALA 18 1.427 -2.716 -0.630
125 HB1 ALA 18 1HB ALA 18 0.271 -4.243 0.935
126 HB2 ALA 18 2HB ALA 18 -0.049 -2.556 1.320
127 HB3 ALA 18 3HB ALA 18 1.110 -3.471 2.280
128 H ARG 19 H ARG 19 3.286 -2.599 2.389
129 HA ARG 19 HA ARG 19 3.163 0.142 2.814
130 HB2 ARG 19 2HB ARG 19 3.927 -1.338 4.561
131 HB3 ARG 19 1HB ARG 19 5.300 -1.838 3.581
132 HG2 ARG 19 2HG ARG 19 6.143 0.479 3.640
133 HG3 ARG 19 1HG ARG 19 4.819 0.902 4.720
134 HD2 ARG 19 2HD ARG 19 5.646 -0.589 6.397
135 HD3 ARG 19 1HD ARG 19 6.875 -1.214 5.292
136 HE ARG 19 HE ARG 19 7.560 1.248 5.233
137 HH11 ARG 19 1HH1 ARG 19 6.506 -0.567 8.112
138 HH12 ARG 19 2HH1 ARG 19 7.476 0.279 9.207
139 HH21 ARG 19 1HH2 ARG 19 8.861 2.514 6.799
140 HH22 ARG 19 2HH2 ARG 19 8.815 2.115 8.444
141 H ARG 20 H ARG 20 5.520 -1.797 1.017
142 HA ARG 20 HA ARG 20 7.314 0.346 0.681
143 HB2 ARG 20 2HB ARG 20 7.140 -2.104 -1.071
144 HB3 ARG 20 1HB ARG 20 8.513 -1.015 -0.938
145 HG2 ARG 20 2HG ARG 20 7.440 -2.887 1.162
146 HG3 ARG 20 1HG ARG 20 9.001 -2.958 0.350
147 HD2 ARG 20 2HD ARG 20 9.737 -0.957 1.482
148 HD3 ARG 20 1HD ARG 20 8.130 -0.700 2.160
149 HE ARG 20 HE ARG 20 9.041 -3.227 2.950
150 HH11 ARG 20 1HH1 ARG 20 9.423 0.205 3.767
151 HH12 ARG 20 2HH1 ARG 20 10.255 -0.126 5.211
152 HH21 ARG 20 1HH2 ARG 20 10.014 -3.639 4.898
153 HH22 ARG 20 2HH2 ARG 20 10.602 -2.401 5.922
154 H GLU 21 H GLU 21 4.689 -0.750 -1.402
155 HA GLU 21 HA GLU 21 5.348 1.190 -3.398
156 HB2 GLU 21 2HB GLU 21 2.714 -0.184 -2.920
157 HB3 GLU 21 1HB GLU 21 3.146 0.734 -4.348
158 HG2 GLU 21 2HG GLU 21 4.967 -0.923 -4.750
159 HG3 GLU 21 1HG GLU 21 4.289 -1.881 -3.431
160 H ALA 22 H ALA 22 3.253 1.092 -0.592
161 HA ALA 22 HA ALA 22 1.904 3.502 -1.082
162 HB1 ALA 22 1HB ALA 22 2.499 2.224 1.582
163 HB2 ALA 22 2HB ALA 22 1.126 1.839 0.546
164 HB3 ALA 22 3HB ALA 22 1.268 3.446 1.262
165 H GLU 23 H GLU 23 4.824 2.821 0.836
166 HA GLU 23 HA GLU 23 5.073 5.526 1.654
167 HB2 GLU 23 2HB GLU 23 7.197 4.912 2.681
168 HB3 GLU 23 1HB GLU 23 5.951 3.744 3.064
169 HG2 GLU 23 2HG GLU 23 6.876 2.179 1.495
170 HG3 GLU 23 1HG GLU 23 8.071 3.364 0.961
171 H GLU 24 H GLU 24 5.825 4.085 -1.247
172 HA GLU 24 HA GLU 24 8.024 5.724 -1.997
173 HB2 GLU 24 2HB GLU 24 7.460 3.655 -3.202
174 HB3 GLU 24 1HB GLU 24 5.931 4.358 -3.701
175 HG2 GLU 24 2HG GLU 24 7.139 6.064 -4.974
176 HG3 GLU 24 1HG GLU 24 8.665 5.327 -4.494
177 H ARG 25 H ARG 25 4.542 5.999 -2.193
178 HA ARG 25 HA ARG 25 4.751 8.668 -3.362
179 HB2 ARG 25 2HB ARG 25 3.112 7.066 -4.306
180 HB3 ARG 25 1HB ARG 25 2.301 6.997 -2.755
181 HG2 ARG 25 2HG ARG 25 1.066 8.403 -4.285
182 HG3 ARG 25 1HG ARG 25 1.710 9.371 -2.965
183 HD2 ARG 25 2HD ARG 25 3.482 10.207 -4.378
184 HD3 ARG 25 1HD ARG 25 2.990 9.138 -5.692
185 HE ARG 25 HE ARG 25 0.796 10.437 -5.492
186 HH11 ARG 25 1HH1 ARG 25 4.044 11.858 -5.189
187 HH12 ARG 25 2HH1 ARG 25 3.554 13.421 -5.642
188 HH21 ARG 25 1HH2 ARG 25 0.163 12.606 -6.175
189 HH22 ARG 25 2HH2 ARG 25 1.297 13.863 -6.229
190 H CYS 26 H CYS 26 3.728 6.997 -0.483
191 HA CYS 26 HA CYS 26 3.083 9.459 0.924
192 HB2 CYS 26 2HB CYS 26 1.486 7.722 1.270
193 HB3 CYS 26 1HB CYS 26 2.739 6.520 1.532
194 HN1 NH2 27 HN1 NH2 27 5.136 10.348 1.154
195 HN2 NH2 27 HN2 NH2 27 6.344 9.649 2.168
Start of MODEL 3
1 H1 THR 1 1HT THR 1 -4.165 -7.411 0.100
2 H2 THR 1 2HT THR 1 -4.338 -8.407 1.455
3 H3 THR 1 3HT THR 1 -3.069 -7.283 1.365
4 HA THR 1 HA THR 1 -5.907 -6.576 1.438
5 HB THR 1 HB THR 1 -3.821 -6.240 3.627
6 HG1 THR 1 1HG THR 1 -3.974 -8.299 3.848
7 HG21 THR 1 1HG2 THR 1 -5.805 -6.046 5.073
8 HG22 THR 1 2HG2 THR 1 -6.855 -6.268 3.677
9 HG23 THR 1 3HG2 THR 1 -5.837 -4.831 3.802
10 H CYS 2 H CYS 2 -5.843 -4.014 2.171
11 HA CYS 2 HA CYS 2 -3.755 -2.808 0.509
12 HB2 CYS 2 2HB CYS 2 -6.499 -1.671 1.051
13 HB3 CYS 2 1HB CYS 2 -5.344 -1.185 -0.180
14 H VAL 3 H VAL 3 -2.882 -0.869 1.227
15 HA VAL 3 HA VAL 3 -3.458 -0.206 4.027
16 HB VAL 3 HB VAL 3 -1.185 0.816 4.156
17 HG11 VAL 3 1HG1 VAL 3 -1.172 -2.080 3.341
18 HG12 VAL 3 2HG1 VAL 3 -1.491 -1.450 4.957
19 HG13 VAL 3 3HG1 VAL 3 0.108 -1.263 4.235
20 HG21 VAL 3 1HG2 VAL 3 -0.826 1.313 1.798
21 HG22 VAL 3 2HG2 VAL 3 -0.784 -0.408 1.425
22 HG23 VAL 3 3HG2 VAL 3 0.488 0.308 2.413
23 H GLU 4 H GLU 4 -3.743 1.942 4.574
24 HA GLU 4 HA GLU 4 -4.666 3.594 2.352
25 HB2 GLU 4 2HB GLU 4 -4.850 4.270 5.277
26 HB3 GLU 4 1HB GLU 4 -5.879 4.810 3.969
27 HG2 GLU 4 2HG GLU 4 -5.826 2.036 5.143
28 HG3 GLU 4 1HG GLU 4 -7.020 3.273 5.492
29 H CYS 5 H CYS 5 -3.055 4.903 1.542
30 HA CYS 5 HA CYS 5 -1.437 6.317 3.524
31 HB2 CYS 5 2HB CYS 5 -0.094 4.516 2.457
32 HB3 CYS 5 1HB CYS 5 -0.396 5.259 0.889
33 H DAL 6 H DAL 6 -2.281 8.256 3.435
34 HA DAL 6 HA DAL 6 -1.724 10.037 1.403
35 HB1 DAL 6 1HB DAL 6 -3.877 10.388 3.478
36 HB2 DAL 6 2HB DAL 6 -3.060 11.663 2.574
37 HB3 DAL 6 3HB DAL 6 -2.159 10.682 3.730
38 HA DPR 7 HA DPR 7 -6.113 9.745 -0.455
39 HB2 DPR 7 1HB DPR 7 -7.806 7.785 0.231
40 HB3 DPR 7 2HB DPR 7 -7.704 9.283 1.156
41 HG2 DPR 7 1HG DPR 7 -6.507 6.597 1.725
42 HG3 DPR 7 2HG DPR 7 -7.291 7.731 2.840
43 HD2 DPR 7 1HD DPR 7 -4.582 7.479 2.595
44 HD3 DPR 7 2HD DPR 7 -5.399 8.961 3.123
45 H VAL 8 H VAL 8 -3.772 7.496 -0.336
46 HA VAL 8 HA VAL 8 -4.753 6.146 -2.729
47 HB VAL 8 HB VAL 8 -1.930 6.315 -1.616
48 HG11 VAL 8 1HG1 VAL 8 -1.217 5.424 -3.783
49 HG12 VAL 8 2HG1 VAL 8 -2.903 5.263 -4.270
50 HG13 VAL 8 3HG1 VAL 8 -2.279 4.298 -2.936
51 HG21 VAL 8 1HG2 VAL 8 -2.692 8.489 -2.382
52 HG22 VAL 8 2HG2 VAL 8 -3.172 7.799 -3.932
53 HG23 VAL 8 3HG2 VAL 8 -1.468 7.849 -3.477
54 H LYS 9 H LYS 9 -5.445 4.149 -2.482
55 HA LYS 9 HA LYS 9 -4.652 2.688 -0.089
56 HB2 LYS 9 2HB LYS 9 -6.957 2.242 -1.992
57 HB3 LYS 9 1HB LYS 9 -6.616 1.246 -0.580
58 HG2 LYS 9 2HG LYS 9 -6.958 3.164 0.884
59 HG3 LYS 9 1HG LYS 9 -7.253 4.192 -0.513
60 HD2 LYS 9 2HD LYS 9 -8.925 1.809 0.284
61 HD3 LYS 9 1HD LYS 9 -9.330 3.489 0.630
62 HE2 LYS 9 2HE LYS 9 -9.333 3.930 -1.810
63 HE3 LYS 9 1HE LYS 9 -9.054 2.213 -2.087
64 HZ1 LYS 9 1HZ LYS 9 -11.418 3.402 -0.747
65 HZ2 LYS 9 2HZ LYS 9 -11.143 1.752 -0.930
66 HZ3 LYS 9 3HZ LYS 9 -11.364 2.730 -2.294
67 H VAL 10 H VAL 10 -2.945 1.575 -0.438
68 HA VAL 10 HA VAL 10 -2.395 0.475 -3.088
69 HB VAL 10 HB VAL 10 -0.594 0.672 -0.652
70 HG11 VAL 10 1HG1 VAL 10 1.232 0.046 -2.149
71 HG12 VAL 10 2HG1 VAL 10 0.089 -0.158 -3.474
72 HG13 VAL 10 3HG1 VAL 10 0.019 -1.235 -2.076
73 HG21 VAL 10 1HG2 VAL 10 -1.091 2.843 -1.606
74 HG22 VAL 10 2HG2 VAL 10 -0.654 2.260 -3.212
75 HG23 VAL 10 3HG2 VAL 10 0.578 2.392 -1.960
76 H CYS 11 H CYS 11 -3.121 -1.449 -3.468
77 HA CYS 11 HA CYS 11 -3.495 -3.352 -1.301
78 HB2 CYS 11 2HB CYS 11 -4.411 -3.419 -4.173
79 HB3 CYS 11 1HB CYS 11 -4.869 -4.543 -2.897
80 H ARG 12 H ARG 12 -2.389 -5.225 -1.183
81 HA ARG 12 HA ARG 12 -0.733 -6.222 -3.304
82 HB2 ARG 12 2HB ARG 12 0.493 -4.210 -2.311
83 HB3 ARG 12 1HB ARG 12 0.534 -5.108 -0.812
84 HG2 ARG 12 2HG ARG 12 2.633 -5.290 -1.818
85 HG3 ARG 12 1HG ARG 12 1.852 -6.865 -1.988
86 HD2 ARG 12 2HD ARG 12 1.374 -6.420 -4.301
87 HD3 ARG 12 1HD ARG 12 1.897 -4.741 -4.128
88 HE ARG 12 HE ARG 12 3.807 -6.894 -3.612
89 HH11 ARG 12 1HH1 ARG 12 2.806 -4.180 -5.703
90 HH12 ARG 12 2HH1 ARG 12 4.306 -4.049 -6.479
91 HH21 ARG 12 1HH2 ARG 12 5.874 -6.681 -4.649
92 HH22 ARG 12 2HH2 ARG 12 6.123 -5.497 -5.845
93 HA PRO 13 HA PRO 13 -1.829 -9.778 -0.682
94 HB2 PRO 13 2HB PRO 13 0.672 -10.943 -1.811
95 HB3 PRO 13 1HB PRO 13 -0.957 -11.625 -1.763
96 HG2 PRO 13 2HG PRO 13 0.014 -10.662 -4.035
97 HG3 PRO 13 1HG PRO 13 -1.678 -10.385 -3.588
98 HD2 PRO 13 2HD PRO 13 0.640 -8.499 -3.476
99 HD3 PRO 13 1HD PRO 13 -1.052 -8.195 -3.918
100 H ASP 14 H ASP 14 1.477 -8.610 -0.815
101 HA ASP 14 HA ASP 14 1.959 -9.481 1.933
102 HB2 ASP 14 2HB ASP 14 3.771 -8.366 -0.193
103 HB3 ASP 14 1HB ASP 14 4.265 -8.384 1.489
104 HA PRO 15 HA PRO 15 0.717 -5.310 3.196
105 HB2 PRO 15 2HB PRO 15 1.392 -5.650 5.838
106 HB3 PRO 15 1HB PRO 15 -0.146 -6.171 5.145
107 HG2 PRO 15 2HG PRO 15 2.325 -7.776 5.674
108 HG3 PRO 15 1HG PRO 15 0.633 -8.199 5.983
109 HD2 PRO 15 2HD PRO 15 1.930 -9.168 3.877
110 HD3 PRO 15 1HD PRO 15 0.225 -8.695 3.747
111 H GLU 16 H GLU 16 3.689 -6.934 3.837
112 HA GLU 16 HA GLU 16 5.284 -4.763 4.664
113 HB2 GLU 16 2HB GLU 16 6.046 -7.275 3.169
114 HB3 GLU 16 1HB GLU 16 7.186 -6.177 3.932
115 HG2 GLU 16 2HG GLU 16 6.240 -6.665 6.110
116 HG3 GLU 16 1HG GLU 16 5.032 -7.708 5.369
117 H GLU 17 H GLU 17 4.875 -6.258 1.446
118 HA GLU 17 HA GLU 17 6.325 -4.270 0.064
119 HB2 GLU 17 2HB GLU 17 4.186 -6.119 -0.948
120 HB3 GLU 17 1HB GLU 17 5.186 -5.109 -1.975
121 HG2 GLU 17 2HG GLU 17 7.148 -6.395 -1.054
122 HG3 GLU 17 1HG GLU 17 5.963 -7.499 -0.340
123 H ALA 18 H ALA 18 2.926 -4.637 0.908
124 HA ALA 18 HA ALA 18 1.787 -2.606 -0.606
125 HB1 ALA 18 1HB ALA 18 0.016 -2.512 1.047
126 HB2 ALA 18 2HB ALA 18 1.059 -3.262 2.244
127 HB3 ALA 18 3HB ALA 18 0.504 -4.201 0.868
128 H ARG 19 H ARG 19 3.214 -2.440 2.613
129 HA ARG 19 HA ARG 19 2.912 0.315 2.967
130 HB2 ARG 19 2HB ARG 19 3.368 -1.273 4.788
131 HB3 ARG 19 1HB ARG 19 4.989 -1.513 4.142
132 HG2 ARG 19 2HG ARG 19 5.528 0.800 4.533
133 HG3 ARG 19 1HG ARG 19 3.898 1.104 5.120
134 HD2 ARG 19 2HD ARG 19 4.278 -0.442 6.968
135 HD3 ARG 19 1HD ARG 19 5.904 -0.767 6.361
136 HE ARG 19 HE ARG 19 5.810 1.930 6.607
137 HH11 ARG 19 1HH1 ARG 19 5.146 -0.697 8.865
138 HH12 ARG 19 2HH1 ARG 19 5.758 0.122 10.227
139 HH21 ARG 19 1HH2 ARG 19 6.616 3.054 8.409
140 HH22 ARG 19 2HH2 ARG 19 6.636 2.357 9.958
141 H ARG 20 H ARG 20 5.672 -1.606 1.800
142 HA ARG 20 HA ARG 20 7.417 0.538 1.476
143 HB2 ARG 20 2HB ARG 20 7.329 -2.143 0.133
144 HB3 ARG 20 1HB ARG 20 8.578 -0.968 -0.239
145 HG2 ARG 20 2HG ARG 20 8.035 -1.967 2.549
146 HG3 ARG 20 1HG ARG 20 9.193 -2.723 1.458
147 HD2 ARG 20 2HD ARG 20 10.378 -1.223 2.943
148 HD3 ARG 20 1HD ARG 20 10.409 -0.575 1.309
149 HE ARG 20 HE ARG 20 8.490 0.422 3.310
150 HH11 ARG 20 1HH1 ARG 20 11.203 1.071 1.099
151 HH12 ARG 20 2HH1 ARG 20 11.061 2.758 1.196
152 HH21 ARG 20 1HH2 ARG 20 8.363 2.751 3.488
153 HH22 ARG 20 2HH2 ARG 20 9.411 3.754 2.592
154 H GLU 21 H GLU 21 5.168 -0.852 -0.867
155 HA GLU 21 HA GLU 21 5.830 0.864 -2.982
156 HB2 GLU 21 2HB GLU 21 3.309 -0.624 -2.292
157 HB3 GLU 21 1HB GLU 21 3.444 0.360 -3.743
158 HG2 GLU 21 2HG GLU 21 5.237 -1.962 -3.067
159 HG3 GLU 21 1HG GLU 21 3.835 -2.047 -4.135
160 H ALA 22 H ALA 22 3.366 1.110 -0.463
161 HA ALA 22 HA ALA 22 2.164 3.478 -1.298
162 HB1 ALA 22 1HB ALA 22 2.450 2.465 1.520
163 HB2 ALA 22 2HB ALA 22 1.209 1.962 0.374
164 HB3 ALA 22 3HB ALA 22 1.264 3.632 0.939
165 H GLU 23 H GLU 23 4.678 3.065 1.181
166 HA GLU 23 HA GLU 23 4.821 5.787 1.818
167 HB2 GLU 23 2HB GLU 23 6.912 3.657 2.217
168 HB3 GLU 23 1HB GLU 23 6.917 5.247 2.967
169 HG2 GLU 23 2HG GLU 23 4.833 4.723 4.113
170 HG3 GLU 23 1HG GLU 23 4.814 3.133 3.355
171 H GLU 24 H GLU 24 6.666 3.928 -0.564
172 HA GLU 24 HA GLU 24 8.484 6.022 -1.161
173 HB2 GLU 24 2HB GLU 24 7.580 3.670 -2.809
174 HB3 GLU 24 1HB GLU 24 8.834 4.786 -3.325
175 HG2 GLU 24 2HG GLU 24 8.925 3.087 -0.842
176 HG3 GLU 24 1HG GLU 24 9.728 2.727 -2.369
177 H ARG 25 H ARG 25 5.324 5.179 -2.401
178 HA ARG 25 HA ARG 25 5.351 7.111 -4.516
179 HB2 ARG 25 2HB ARG 25 2.989 5.778 -3.182
180 HB3 ARG 25 1HB ARG 25 2.927 6.690 -4.680
181 HG2 ARG 25 2HG ARG 25 4.347 5.039 -5.760
182 HG3 ARG 25 1HG ARG 25 4.471 4.148 -4.244
183 HD2 ARG 25 2HD ARG 25 1.949 3.976 -4.289
184 HD3 ARG 25 1HD ARG 25 2.032 4.575 -5.946
185 HE ARG 25 HE ARG 25 3.804 2.481 -5.739
186 HH11 ARG 25 1HH1 ARG 25 0.286 2.988 -5.726
187 HH12 ARG 25 2HH1 ARG 25 -0.078 1.362 -6.044
188 HH21 ARG 25 1HH2 ARG 25 3.262 0.185 -6.198
189 HH22 ARG 25 2HH2 ARG 25 1.618 -0.232 -6.347
190 H CYS 26 H CYS 26 3.919 6.969 -1.301
191 HA CYS 26 HA CYS 26 2.728 9.490 -1.293
192 HB2 CYS 26 2HB CYS 26 3.729 7.777 0.982
193 HB3 CYS 26 1HB CYS 26 2.751 9.220 1.204
194 HN1 NH2 27 HN1 NH2 27 5.622 8.671 0.636
195 HN2 NH2 27 HN2 NH2 27 6.372 10.208 0.412
Start of MODEL 4
1 H1 THR 1 1HT THR 1 -2.182 -5.811 3.526
2 H2 THR 1 2HT THR 1 -2.973 -7.324 3.568
3 H3 THR 1 3HT THR 1 -3.828 -5.914 3.858
4 HA THR 1 HA THR 1 -2.512 -6.681 1.358
5 HB THR 1 HB THR 1 -5.456 -6.590 2.027
6 HG1 THR 1 1HG THR 1 -4.716 -9.041 1.519
7 HG21 THR 1 1HG2 THR 1 -4.931 -6.239 -0.356
8 HG22 THR 1 2HG2 THR 1 -5.691 -7.812 -0.107
9 HG23 THR 1 3HG2 THR 1 -3.950 -7.703 -0.358
10 H CYS 2 H CYS 2 -4.876 -4.358 2.873
11 HA CYS 2 HA CYS 2 -4.145 -2.561 0.697
12 HB2 CYS 2 2HB CYS 2 -6.660 -2.606 2.352
13 HB3 CYS 2 1HB CYS 2 -6.277 -1.402 1.126
14 H VAL 3 H VAL 3 -2.748 -1.187 1.206
15 HA VAL 3 HA VAL 3 -2.827 0.015 3.862
16 HB VAL 3 HB VAL 3 -0.460 0.729 3.421
17 HG11 VAL 3 1HG1 VAL 3 0.568 -1.485 3.675
18 HG12 VAL 3 2HG1 VAL 3 -0.943 -2.237 3.169
19 HG13 VAL 3 3HG1 VAL 3 -0.876 -1.319 4.675
20 HG21 VAL 3 1HG2 VAL 3 -0.752 -0.987 0.963
21 HG22 VAL 3 2HG2 VAL 3 0.758 -0.286 1.559
22 HG23 VAL 3 3HG2 VAL 3 -0.557 0.765 1.019
23 H GLU 4 H GLU 4 -2.242 2.394 3.819
24 HA GLU 4 HA GLU 4 -3.595 3.581 1.500
25 HB2 GLU 4 2HB GLU 4 -3.812 4.390 4.389
26 HB3 GLU 4 1HB GLU 4 -4.589 5.193 3.034
27 HG2 GLU 4 2HG GLU 4 -5.910 3.221 2.586
28 HG3 GLU 4 1HG GLU 4 -5.080 2.350 3.873
29 H CYS 5 H CYS 5 -2.843 5.472 0.754
30 HA CYS 5 HA CYS 5 -0.862 6.905 2.300
31 HB2 CYS 5 2HB CYS 5 0.461 5.506 0.734
32 HB3 CYS 5 1HB CYS 5 -0.428 6.204 -0.620
33 H DAL 6 H DAL 6 -2.090 8.594 2.657
34 HA DAL 6 HA DAL 6 -2.404 10.593 0.809
35 HB1 DAL 6 1HB DAL 6 -3.730 11.790 2.432
36 HB2 DAL 6 2HB DAL 6 -2.403 10.957 3.238
37 HB3 DAL 6 3HB DAL 6 -4.035 10.304 3.330
38 HA DPR 7 HA DPR 7 -6.889 9.490 -0.218
39 HB2 DPR 7 1HB DPR 7 -8.199 7.437 0.819
40 HB3 DPR 7 2HB DPR 7 -7.932 8.899 1.776
41 HG2 DPR 7 1HG DPR 7 -6.485 6.275 1.853
42 HG3 DPR 7 2HG DPR 7 -7.015 7.293 3.203
43 HD2 DPR 7 1HD DPR 7 -4.445 7.255 2.154
44 HD3 DPR 7 2HD DPR 7 -5.139 8.580 3.105
45 H VAL 8 H VAL 8 -4.315 7.709 -0.808
46 HA VAL 8 HA VAL 8 -5.615 6.217 -2.921
47 HB VAL 8 HB VAL 8 -2.656 6.400 -2.240
48 HG11 VAL 8 1HG1 VAL 8 -2.299 5.563 -4.534
49 HG12 VAL 8 2HG1 VAL 8 -4.042 5.388 -4.720
50 HG13 VAL 8 3HG1 VAL 8 -3.182 4.407 -3.536
51 HG21 VAL 8 1HG2 VAL 8 -4.253 7.902 -4.314
52 HG22 VAL 8 2HG2 VAL 8 -2.502 7.977 -4.113
53 HG23 VAL 8 3HG2 VAL 8 -3.564 8.581 -2.840
54 H LYS 9 H LYS 9 -5.967 4.090 -2.899
55 HA LYS 9 HA LYS 9 -5.307 2.624 -0.461
56 HB2 LYS 9 2HB LYS 9 -7.233 1.970 -2.690
57 HB3 LYS 9 1HB LYS 9 -7.059 1.103 -1.176
58 HG2 LYS 9 2HG LYS 9 -7.829 3.971 -1.319
59 HG3 LYS 9 1HG LYS 9 -9.034 2.670 -1.370
60 HD2 LYS 9 2HD LYS 9 -8.132 1.902 0.833
61 HD3 LYS 9 1HD LYS 9 -7.090 3.329 0.848
62 HE2 LYS 9 2HE LYS 9 -8.963 4.800 0.902
63 HE3 LYS 9 1HE LYS 9 -10.094 3.486 0.603
64 HZ1 LYS 9 1HZ LYS 9 -8.482 3.923 3.076
65 HZ2 LYS 9 2HZ LYS 9 -9.411 2.562 2.784
66 HZ3 LYS 9 3HZ LYS 9 -10.152 4.056 2.916
67 H VAL 10 H VAL 10 -3.529 1.520 -0.681
68 HA VAL 10 HA VAL 10 -2.845 0.414 -3.307
69 HB VAL 10 HB VAL 10 -1.042 0.685 -0.882
70 HG11 VAL 10 1HG1 VAL 10 0.794 0.191 -2.438
71 HG12 VAL 10 2HG1 VAL 10 -0.382 -0.061 -3.729
72 HG13 VAL 10 3HG1 VAL 10 -0.362 -1.138 -2.334
73 HG21 VAL 10 1HG2 VAL 10 0.069 2.513 -2.101
74 HG22 VAL 10 2HG2 VAL 10 -1.618 2.889 -1.751
75 HG23 VAL 10 3HG2 VAL 10 -1.145 2.387 -3.374
76 H CYS 11 H CYS 11 -3.900 -1.447 -3.424
77 HA CYS 11 HA CYS 11 -3.773 -3.239 -1.144
78 HB2 CYS 11 2HB CYS 11 -5.560 -3.306 -3.582
79 HB3 CYS 11 1HB CYS 11 -5.568 -4.505 -2.294
80 H ARG 12 H ARG 12 -2.229 -4.559 -1.122
81 HA ARG 12 HA ARG 12 -1.498 -6.077 -3.470
82 HB2 ARG 12 2HB ARG 12 -0.094 -4.012 -3.303
83 HB3 ARG 12 1HB ARG 12 0.477 -4.606 -1.757
84 HG2 ARG 12 2HG ARG 12 1.638 -6.379 -2.745
85 HG3 ARG 12 1HG ARG 12 0.783 -6.179 -4.288
86 HD2 ARG 12 2HD ARG 12 1.771 -4.048 -4.632
87 HD3 ARG 12 1HD ARG 12 2.423 -4.107 -2.998
88 HE ARG 12 HE ARG 12 3.716 -6.119 -3.964
89 HH11 ARG 12 1HH1 ARG 12 2.857 -3.348 -5.964
90 HH12 ARG 12 2HH1 ARG 12 4.350 -3.311 -6.798
91 HH21 ARG 12 1HH2 ARG 12 5.810 -6.011 -5.054
92 HH22 ARG 12 2HH2 ARG 12 6.029 -4.874 -6.299
93 HA PRO 13 HA PRO 13 -2.394 -9.216 -0.455
94 HB2 PRO 13 2HB PRO 13 -0.159 -10.578 -1.879
95 HB3 PRO 13 1HB PRO 13 -1.739 -11.215 -1.401
96 HG2 PRO 13 2HG PRO 13 -1.337 -10.484 -3.896
97 HG3 PRO 13 1HG PRO 13 -2.857 -10.055 -3.086
98 HD2 PRO 13 2HD PRO 13 -0.519 -8.339 -3.773
99 HD3 PRO 13 1HD PRO 13 -2.251 -7.943 -3.719
100 H ASP 14 H ASP 14 1.051 -8.628 -0.972
101 HA ASP 14 HA ASP 14 1.603 -9.734 1.640
102 HB2 ASP 14 2HB ASP 14 3.391 -8.798 -0.594
103 HB3 ASP 14 1HB ASP 14 4.042 -9.195 0.987
104 HA PRO 15 HA PRO 15 1.067 -5.865 3.702
105 HB2 PRO 15 2HB PRO 15 2.593 -6.487 5.935
106 HB3 PRO 15 1HB PRO 15 0.892 -6.902 5.704
107 HG2 PRO 15 2HG PRO 15 3.330 -8.562 5.243
108 HG3 PRO 15 1HG PRO 15 1.772 -9.030 5.952
109 HD2 PRO 15 2HD PRO 15 2.389 -9.684 3.465
110 HD3 PRO 15 1HD PRO 15 0.742 -9.163 3.887
111 H GLU 16 H GLU 16 4.463 -7.035 4.042
112 HA GLU 16 HA GLU 16 5.560 -4.432 4.519
113 HB2 GLU 16 2HB GLU 16 6.512 -6.855 4.971
114 HB3 GLU 16 1HB GLU 16 7.112 -6.728 3.333
115 HG2 GLU 16 2HG GLU 16 7.798 -4.855 5.579
116 HG3 GLU 16 1HG GLU 16 8.764 -6.236 5.068
117 H GLU 17 H GLU 17 5.373 -6.562 1.855
118 HA GLU 17 HA GLU 17 6.514 -5.272 -0.301
119 HB2 GLU 17 2HB GLU 17 5.444 -7.543 -0.152
120 HB3 GLU 17 1HB GLU 17 3.897 -6.742 -0.291
121 HG2 GLU 17 2HG GLU 17 4.399 -7.622 -2.396
122 HG3 GLU 17 1HG GLU 17 4.664 -5.882 -2.499
123 H ALA 18 H ALA 18 3.129 -4.967 0.855
124 HA ALA 18 HA ALA 18 2.371 -2.948 -0.993
125 HB1 ALA 18 1HB ALA 18 0.309 -2.799 0.225
126 HB2 ALA 18 2HB ALA 18 1.040 -3.533 1.647
127 HB3 ALA 18 3HB ALA 18 0.776 -4.504 0.204
128 H ARG 19 H ARG 19 3.410 -2.865 2.369
129 HA ARG 19 HA ARG 19 3.113 -0.141 2.940
130 HB2 ARG 19 2HB ARG 19 5.196 -2.109 3.885
131 HB3 ARG 19 1HB ARG 19 5.063 -0.481 4.519
132 HG2 ARG 19 2HG ARG 19 2.866 -2.530 4.633
133 HG3 ARG 19 1HG ARG 19 4.018 -2.224 5.933
134 HD2 ARG 19 2HD ARG 19 2.079 -0.225 4.769
135 HD3 ARG 19 1HD ARG 19 1.922 -1.044 6.320
136 HE ARG 19 HE ARG 19 4.168 0.773 5.699
137 HH11 ARG 19 1HH1 ARG 19 1.660 -0.323 7.954
138 HH12 ARG 19 2HH1 ARG 19 2.107 0.772 9.168
139 HH21 ARG 19 1HH2 ARG 19 4.753 2.227 7.330
140 HH22 ARG 19 2HH2 ARG 19 3.926 2.280 8.809
141 H ARG 20 H ARG 20 5.766 -1.875 1.507
142 HA ARG 20 HA ARG 20 7.714 0.057 1.172
143 HB2 ARG 20 2HB ARG 20 7.825 -2.392 0.732
144 HB3 ARG 20 1HB ARG 20 6.921 -2.120 -0.741
145 HG2 ARG 20 2HG ARG 20 8.737 -0.755 -1.603
146 HG3 ARG 20 1HG ARG 20 9.657 -1.042 -0.117
147 HD2 ARG 20 2HD ARG 20 8.736 -3.081 -2.125
148 HD3 ARG 20 1HD ARG 20 10.401 -2.598 -1.776
149 HE ARG 20 HE ARG 20 9.753 -3.480 0.586
150 HH11 ARG 20 1HH1 ARG 20 9.016 -4.975 -2.536
151 HH12 ARG 20 2HH1 ARG 20 8.665 -6.500 -1.874
152 HH21 ARG 20 1HH2 ARG 20 9.346 -5.621 1.480
153 HH22 ARG 20 2HH2 ARG 20 8.928 -6.893 0.433
154 H GLU 21 H GLU 21 5.107 -0.857 -1.001
155 HA GLU 21 HA GLU 21 5.601 1.016 -3.016
156 HB2 GLU 21 2HB GLU 21 3.113 -0.457 -2.200
157 HB3 GLU 21 1HB GLU 21 3.196 0.571 -3.624
158 HG2 GLU 21 2HG GLU 21 5.011 -1.770 -3.143
159 HG3 GLU 21 1HG GLU 21 3.503 -1.862 -4.057
160 H ALA 22 H ALA 22 3.239 1.057 -0.382
161 HA ALA 22 HA ALA 22 2.064 3.515 -1.032
162 HB1 ALA 22 1HB ALA 22 2.194 2.207 1.667
163 HB2 ALA 22 2HB ALA 22 1.023 1.851 0.396
164 HB3 ALA 22 3HB ALA 22 1.045 3.444 1.154
165 H GLU 23 H GLU 23 4.553 2.802 1.408
166 HA GLU 23 HA GLU 23 4.642 5.481 2.273
167 HB2 GLU 23 2HB GLU 23 6.534 3.194 2.743
168 HB3 GLU 23 1HB GLU 23 6.651 4.758 3.550
169 HG2 GLU 23 2HG GLU 23 4.433 4.470 4.475
170 HG3 GLU 23 1HG GLU 23 4.272 2.924 3.657
171 H GLU 24 H GLU 24 6.337 3.787 -0.217
172 HA GLU 24 HA GLU 24 8.284 5.801 -0.720
173 HB2 GLU 24 2HB GLU 24 8.538 3.570 -1.680
174 HB3 GLU 24 1HB GLU 24 7.037 3.753 -2.570
175 HG2 GLU 24 2HG GLU 24 8.052 5.579 -3.870
176 HG3 GLU 24 1HG GLU 24 9.567 5.329 -3.008
177 H ARG 25 H ARG 25 5.007 5.205 -1.814
178 HA ARG 25 HA ARG 25 4.834 7.316 -3.705
179 HB2 ARG 25 2HB ARG 25 2.642 5.926 -2.157
180 HB3 ARG 25 1HB ARG 25 2.368 7.041 -3.480
181 HG2 ARG 25 2HG ARG 25 3.808 4.409 -3.668
182 HG3 ARG 25 1HG ARG 25 2.142 4.698 -4.148
183 HD2 ARG 25 2HD ARG 25 4.579 6.015 -5.356
184 HD3 ARG 25 1HD ARG 25 3.652 4.702 -6.074
185 HE ARG 25 HE ARG 25 2.073 7.000 -5.444
186 HH11 ARG 25 1HH1 ARG 25 4.130 5.512 -7.925
187 HH12 ARG 25 2HH1 ARG 25 3.485 6.430 -9.196
188 HH21 ARG 25 1HH2 ARG 25 1.183 8.257 -7.202
189 HH22 ARG 25 2HH2 ARG 25 1.776 8.022 -8.781
190 H CYS 26 H CYS 26 4.317 7.105 -0.276
191 HA CYS 26 HA CYS 26 3.127 9.651 0.008
192 HB2 CYS 26 2HB CYS 26 4.633 7.989 2.041
193 HB3 CYS 26 1HB CYS 26 3.673 9.412 2.420
194 HN1 NH2 27 HN1 NH2 27 6.304 8.814 1.358
195 HN2 NH2 27 HN2 NH2 27 7.080 10.255 0.819
Start of MODEL 5
1 H1 THR 1 1HT THR 1 -2.980 -6.931 0.920
2 H2 THR 1 2HT THR 1 -4.624 -6.952 0.546
3 H3 THR 1 3HT THR 1 -4.040 -7.962 1.758
4 HA THR 1 HA THR 1 -5.218 -6.067 2.611
5 HB THR 1 HB THR 1 -3.435 -7.000 4.014
6 HG1 THR 1 1HG THR 1 -3.953 -5.374 5.213
7 HG21 THR 1 1HG2 THR 1 -1.565 -5.095 2.591
8 HG22 THR 1 2HG2 THR 1 -1.552 -6.853 2.453
9 HG23 THR 1 3HG2 THR 1 -1.148 -6.085 3.990
10 H CYS 2 H CYS 2 -5.474 -3.817 2.725
11 HA CYS 2 HA CYS 2 -4.075 -2.364 0.601
12 HB2 CYS 2 2HB CYS 2 -6.898 -1.967 1.604
13 HB3 CYS 2 1HB CYS 2 -6.097 -0.961 0.407
14 H VAL 3 H VAL 3 -2.689 -1.023 1.415
15 HA VAL 3 HA VAL 3 -3.224 0.196 4.001
16 HB VAL 3 HB VAL 3 -0.873 1.092 3.837
17 HG11 VAL 3 1HG1 VAL 3 0.270 -1.068 4.153
18 HG12 VAL 3 2HG1 VAL 3 -1.149 -1.894 3.509
19 HG13 VAL 3 3HG1 VAL 3 -1.264 -0.985 5.015
20 HG21 VAL 3 1HG2 VAL 3 -0.644 1.167 1.420
21 HG22 VAL 3 2HG2 VAL 3 -0.771 -0.589 1.335
22 HG23 VAL 3 3HG2 VAL 3 0.626 0.154 2.116
23 H GLU 4 H GLU 4 -3.692 2.337 4.220
24 HA GLU 4 HA GLU 4 -4.235 3.697 1.678
25 HB2 GLU 4 2HB GLU 4 -5.696 3.947 4.309
26 HB3 GLU 4 1HB GLU 4 -6.131 4.717 2.791
27 HG2 GLU 4 2HG GLU 4 -6.642 2.579 1.793
28 HG3 GLU 4 1HG GLU 4 -6.051 1.742 3.222
29 H CYS 5 H CYS 5 -2.642 5.166 1.437
30 HA CYS 5 HA CYS 5 -2.062 6.814 3.768
31 HB2 CYS 5 2HB CYS 5 0.136 7.342 2.665
32 HB3 CYS 5 1HB CYS 5 -0.039 5.661 3.139
33 H DAL 6 H DAL 6 -3.412 8.424 3.625
34 HA DAL 6 HA DAL 6 -2.884 10.540 1.990
35 HB1 DAL 6 1HB DAL 6 -5.501 10.112 3.416
36 HB2 DAL 6 2HB DAL 6 -4.845 11.647 2.853
37 HB3 DAL 6 3HB DAL 6 -4.024 10.757 4.133
38 HA DPR 7 HA DPR 7 -6.342 9.674 -1.106
39 HB2 DPR 7 1HB DPR 7 -7.964 7.572 -1.004
40 HB3 DPR 7 2HB DPR 7 -8.207 8.948 0.080
41 HG2 DPR 7 1HG DPR 7 -6.949 6.284 0.629
42 HG3 DPR 7 2HG DPR 7 -8.058 7.230 1.639
43 HD2 DPR 7 1HD DPR 7 -5.291 7.176 1.931
44 HD3 DPR 7 2HD DPR 7 -6.361 8.452 2.541
45 H VAL 8 H VAL 8 -3.824 7.727 -0.461
46 HA VAL 8 HA VAL 8 -4.030 6.340 -3.016
47 HB VAL 8 HB VAL 8 -1.619 6.745 -1.204
48 HG11 VAL 8 1HG1 VAL 8 -0.283 5.952 -3.102
49 HG12 VAL 8 2HG1 VAL 8 -1.761 5.645 -4.011
50 HG13 VAL 8 3HG1 VAL 8 -1.418 4.719 -2.549
51 HG21 VAL 8 1HG2 VAL 8 -0.838 8.344 -2.902
52 HG22 VAL 8 2HG2 VAL 8 -2.362 8.855 -2.177
53 HG23 VAL 8 3HG2 VAL 8 -2.349 8.133 -3.785
54 H LYS 9 H LYS 9 -4.832 4.333 -2.871
55 HA LYS 9 HA LYS 9 -4.367 2.842 -0.396
56 HB2 LYS 9 2HB LYS 9 -6.369 2.286 -2.581
57 HB3 LYS 9 1HB LYS 9 -6.239 1.442 -1.049
58 HG2 LYS 9 2HG LYS 9 -6.803 3.633 0.076
59 HG3 LYS 9 1HG LYS 9 -7.140 4.271 -1.526
60 HD2 LYS 9 2HD LYS 9 -8.528 1.928 -0.209
61 HD3 LYS 9 1HD LYS 9 -9.209 3.531 -0.478
62 HE2 LYS 9 2HE LYS 9 -9.029 3.170 -2.924
63 HE3 LYS 9 1HE LYS 9 -8.360 1.574 -2.616
64 HZ1 LYS 9 1HZ LYS 9 -10.690 1.451 -3.126
65 HZ2 LYS 9 2HZ LYS 9 -11.078 2.484 -1.859
66 HZ3 LYS 9 3HZ LYS 9 -10.433 0.955 -1.537
67 H VAL 10 H VAL 10 -2.706 1.553 -0.554
68 HA VAL 10 HA VAL 10 -2.106 0.338 -3.143
69 HB VAL 10 HB VAL 10 -0.387 0.466 -0.643
70 HG11 VAL 10 1HG1 VAL 10 0.046 -1.567 -1.939
71 HG12 VAL 10 2HG1 VAL 10 1.400 -0.443 -2.017
72 HG13 VAL 10 3HG1 VAL 10 0.298 -0.590 -3.389
73 HG21 VAL 10 1HG2 VAL 10 1.030 1.970 -1.985
74 HG22 VAL 10 2HG2 VAL 10 -0.582 2.632 -1.714
75 HG23 VAL 10 3HG2 VAL 10 -0.170 1.925 -3.277
76 H CYS 11 H CYS 11 -3.025 -1.517 -3.447
77 HA CYS 11 HA CYS 11 -3.513 -3.265 -1.157
78 HB2 CYS 11 2HB CYS 11 -4.779 -3.272 -3.907
79 HB3 CYS 11 1HB CYS 11 -5.172 -4.375 -2.596
80 H ARG 12 H ARG 12 -2.159 -4.858 -0.899
81 HA ARG 12 HA ARG 12 -1.201 -6.355 -3.201
82 HB2 ARG 12 2HB ARG 12 0.491 -4.486 -2.534
83 HB3 ARG 12 1HB ARG 12 0.719 -5.408 -1.058
84 HG2 ARG 12 2HG ARG 12 2.496 -5.920 -2.566
85 HG3 ARG 12 1HG ARG 12 1.456 -7.338 -2.432
86 HD2 ARG 12 2HD ARG 12 2.066 -6.980 -4.756
87 HD3 ARG 12 1HD ARG 12 0.345 -6.678 -4.553
88 HE ARG 12 HE ARG 12 2.242 -4.447 -4.485
89 HH11 ARG 12 1HH1 ARG 12 -0.414 -6.097 -6.175
90 HH12 ARG 12 2HH1 ARG 12 -0.767 -4.777 -7.195
91 HH21 ARG 12 1HH2 ARG 12 1.810 -2.708 -5.913
92 HH22 ARG 12 2HH2 ARG 12 0.540 -2.800 -7.059
93 HA PRO 13 HA PRO 13 -2.258 -9.561 -0.206
94 HB2 PRO 13 2HB PRO 13 -0.621 -11.583 -1.123
95 HB3 PRO 13 1HB PRO 13 -2.193 -11.187 -1.821
96 HG2 PRO 13 2HG PRO 13 0.540 -10.398 -2.734
97 HG3 PRO 13 1HG PRO 13 -0.856 -10.909 -3.699
98 HD2 PRO 13 2HD PRO 13 -0.163 -8.337 -3.500
99 HD3 PRO 13 1HD PRO 13 -1.869 -8.827 -3.560
100 H ASP 14 H ASP 14 1.020 -8.654 -0.814
101 HA ASP 14 HA ASP 14 1.852 -9.796 1.736
102 HB2 ASP 14 2HB ASP 14 3.534 -8.583 -0.468
103 HB3 ASP 14 1HB ASP 14 4.159 -9.323 1.000
104 HA PRO 15 HA PRO 15 1.054 -5.719 3.381
105 HB2 PRO 15 2HB PRO 15 2.170 -6.186 5.852
106 HB3 PRO 15 1HB PRO 15 0.530 -6.653 5.396
107 HG2 PRO 15 2HG PRO 15 3.024 -8.301 5.451
108 HG3 PRO 15 1HG PRO 15 1.385 -8.736 5.968
109 HD2 PRO 15 2HD PRO 15 2.391 -9.570 3.645
110 HD3 PRO 15 1HD PRO 15 0.678 -9.130 3.797
111 H GLU 16 H GLU 16 4.235 -7.209 3.734
112 HA GLU 16 HA GLU 16 5.627 -4.847 4.437
113 HB2 GLU 16 2HB GLU 16 6.771 -7.195 2.931
114 HB3 GLU 16 1HB GLU 16 7.641 -6.059 3.950
115 HG2 GLU 16 2HG GLU 16 5.628 -8.096 4.877
116 HG3 GLU 16 1HG GLU 16 7.375 -8.217 5.059
117 H GLU 17 H GLU 17 5.036 -6.467 1.369
118 HA GLU 17 HA GLU 17 6.427 -4.758 -0.366
119 HB2 GLU 17 2HB GLU 17 3.928 -6.392 -0.826
120 HB3 GLU 17 1HB GLU 17 4.883 -5.650 -2.100
121 HG2 GLU 17 2HG GLU 17 5.946 -7.702 -0.178
122 HG3 GLU 17 1HG GLU 17 5.289 -8.088 -1.764
123 H ALA 18 H ALA 18 3.042 -4.788 0.678
124 HA ALA 18 HA ALA 18 2.095 -2.587 -0.738
125 HB1 ALA 18 1HB ALA 18 0.281 -2.504 0.885
126 HB2 ALA 18 2HB ALA 18 1.210 -3.502 1.998
127 HB3 ALA 18 3HB ALA 18 0.640 -4.182 0.480
128 H ARG 19 H ARG 19 3.526 -2.757 2.470
129 HA ARG 19 HA ARG 19 3.282 -0.083 3.247
130 HB2 ARG 19 2HB ARG 19 3.896 -1.977 4.711
131 HB3 ARG 19 1HB ARG 19 5.445 -2.061 3.889
132 HG2 ARG 19 2HG ARG 19 6.103 0.058 4.772
133 HG3 ARG 19 1HG ARG 19 4.503 0.313 5.479
134 HD2 ARG 19 2HD ARG 19 6.438 -1.887 6.187
135 HD3 ARG 19 1HD ARG 19 6.090 -0.461 7.165
136 HE ARG 19 HE ARG 19 3.786 -1.272 7.308
137 HH11 ARG 19 1HH1 ARG 19 6.388 -3.618 6.732
138 HH12 ARG 19 2HH1 ARG 19 5.470 -4.966 7.206
139 HH21 ARG 19 1HH2 ARG 19 2.559 -3.142 8.041
140 HH22 ARG 19 2HH2 ARG 19 3.267 -4.689 8.015
141 H ARG 20 H ARG 20 5.919 -1.769 1.587
142 HA ARG 20 HA ARG 20 7.668 0.406 1.389
143 HB2 ARG 20 2HB ARG 20 8.357 -1.914 0.965
144 HB3 ARG 20 1HB ARG 20 7.388 -1.928 -0.503
145 HG2 ARG 20 2HG ARG 20 8.790 -0.055 -1.365
146 HG3 ARG 20 1HG ARG 20 9.845 -0.267 0.033
147 HD2 ARG 20 2HD ARG 20 10.756 -1.463 -1.852
148 HD3 ARG 20 1HD ARG 20 10.178 -2.616 -0.643
149 HE ARG 20 HE ARG 20 8.647 -1.858 -3.030
150 HH11 ARG 20 1HH1 ARG 20 9.869 -4.355 -0.830
151 HH12 ARG 20 2HH1 ARG 20 8.933 -5.606 -1.499
152 HH21 ARG 20 1HH2 ARG 20 7.400 -3.642 -4.022
153 HH22 ARG 20 2HH2 ARG 20 7.565 -5.207 -3.350
154 H GLU 21 H GLU 21 5.306 -0.873 -0.932
155 HA GLU 21 HA GLU 21 5.745 1.030 -2.939
156 HB2 GLU 21 2HB GLU 21 3.331 -0.651 -2.313
157 HB3 GLU 21 1HB GLU 21 3.476 0.322 -3.774
158 HG2 GLU 21 2HG GLU 21 5.468 -1.007 -4.391
159 HG3 GLU 21 1HG GLU 21 5.220 -1.993 -2.950
160 H ALA 22 H ALA 22 3.533 1.005 -0.196
161 HA ALA 22 HA ALA 22 2.057 3.289 -0.779
162 HB1 ALA 22 1HB ALA 22 2.913 2.306 1.939
163 HB2 ALA 22 2HB ALA 22 1.506 1.743 1.036
164 HB3 ALA 22 3HB ALA 22 1.581 3.413 1.600
165 H GLU 23 H GLU 23 5.009 3.030 1.204
166 HA GLU 23 HA GLU 23 5.070 5.878 1.354
167 HB2 GLU 23 2HB GLU 23 7.094 3.889 2.332
168 HB3 GLU 23 1HB GLU 23 7.219 5.629 2.583
169 HG2 GLU 23 2HG GLU 23 4.994 5.569 3.672
170 HG3 GLU 23 1HG GLU 23 5.038 3.815 3.563
171 H GLU 24 H GLU 24 6.081 3.833 -0.992
172 HA GLU 24 HA GLU 24 8.212 5.428 -2.050
173 HB2 GLU 24 2HB GLU 24 7.830 3.007 -2.628
174 HB3 GLU 24 1HB GLU 24 6.396 3.496 -3.517
175 HG2 GLU 24 2HG GLU 24 8.242 3.135 -5.032
176 HG3 GLU 24 1HG GLU 24 7.793 4.839 -5.010
177 H ARG 25 H ARG 25 4.760 5.434 -2.192
178 HA ARG 25 HA ARG 25 4.805 7.638 -4.109
179 HB2 ARG 25 2HB ARG 25 3.187 5.848 -4.559
180 HB3 ARG 25 1HB ARG 25 2.477 6.071 -2.970
181 HG2 ARG 25 2HG ARG 25 1.084 7.079 -4.682
182 HG3 ARG 25 1HG ARG 25 1.741 8.318 -3.614
183 HD2 ARG 25 2HD ARG 25 3.478 8.817 -5.291
184 HD3 ARG 25 1HD ARG 25 2.782 7.595 -6.357
185 HE ARG 25 HE ARG 25 0.846 9.477 -5.545
186 HH11 ARG 25 1HH1 ARG 25 3.561 9.119 -7.815
187 HH12 ARG 25 2HH1 ARG 25 2.953 10.265 -8.912
188 HH21 ARG 25 1HH2 ARG 25 0.024 11.036 -7.119
189 HH22 ARG 25 2HH2 ARG 25 0.908 11.362 -8.523
190 H CYS 26 H CYS 26 3.700 6.820 -0.864
191 HA CYS 26 HA CYS 26 3.105 9.610 -0.286
192 HB2 CYS 26 2HB CYS 26 2.634 7.122 1.375
193 HB3 CYS 26 1HB CYS 26 1.977 8.729 1.677
194 HN1 NH2 27 HN1 NH2 27 5.201 10.400 -0.094
195 HN2 NH2 27 HN2 NH2 27 6.256 9.975 1.206
Start of MODEL 6
1 H1 THR 1 1HT THR 1 -2.920 -7.381 0.563
2 H2 THR 1 2HT THR 1 -4.566 -7.395 0.146
3 H3 THR 1 3HT THR 1 -3.995 -8.478 1.291
4 HA THR 1 HA THR 1 -5.231 -6.658 2.216
5 HB THR 1 HB THR 1 -3.507 -7.750 3.600
6 HG1 THR 1 1HG THR 1 -3.207 -6.059 5.061
7 HG21 THR 1 1HG2 THR 1 -1.538 -7.367 2.188
8 HG22 THR 1 2HG2 THR 1 -1.250 -6.773 3.824
9 HG23 THR 1 3HG2 THR 1 -1.622 -5.640 2.526
10 H CYS 2 H CYS 2 -5.511 -4.467 2.509
11 HA CYS 2 HA CYS 2 -4.081 -2.808 0.550
12 HB2 CYS 2 2HB CYS 2 -6.872 -2.425 1.658
13 HB3 CYS 2 1HB CYS 2 -6.074 -1.383 0.492
14 H VAL 3 H VAL 3 -3.071 -1.046 1.228
15 HA VAL 3 HA VAL 3 -3.589 -0.165 3.961
16 HB VAL 3 HB VAL 3 -1.261 0.547 4.209
17 HG11 VAL 3 1HG1 VAL 3 -1.395 -2.319 3.317
18 HG12 VAL 3 2HG1 VAL 3 -1.678 -1.698 4.945
19 HG13 VAL 3 3HG1 VAL 3 -0.071 -1.603 4.231
20 HG21 VAL 3 1HG2 VAL 3 0.465 0.008 2.551
21 HG22 VAL 3 2HG2 VAL 3 -0.758 1.111 1.912
22 HG23 VAL 3 3HG2 VAL 3 -0.791 -0.595 1.468
23 H GLU 4 H GLU 4 -3.495 2.124 4.224
24 HA GLU 4 HA GLU 4 -3.765 3.546 1.686
25 HB2 GLU 4 2HB GLU 4 -5.364 3.933 4.209
26 HB3 GLU 4 1HB GLU 4 -5.458 4.960 2.784
27 HG2 GLU 4 2HG GLU 4 -6.221 3.066 1.461
28 HG3 GLU 4 1HG GLU 4 -6.112 2.031 2.877
29 H CYS 5 H CYS 5 -2.609 5.252 1.454
30 HA CYS 5 HA CYS 5 -1.466 6.616 3.768
31 HB2 CYS 5 2HB CYS 5 0.247 5.040 3.004
32 HB3 CYS 5 1HB CYS 5 0.081 5.626 1.355
33 H DAL 6 H DAL 6 -2.311 8.549 3.546
34 HA DAL 6 HA DAL 6 -1.517 10.306 1.573
35 HB1 DAL 6 1HB DAL 6 -2.234 10.996 3.816
36 HB2 DAL 6 2HB DAL 6 -3.903 10.668 3.359
37 HB3 DAL 6 3HB DAL 6 -3.001 11.943 2.538
38 HA DPR 7 HA DPR 7 -5.634 9.967 -0.856
39 HB2 DPR 7 1HB DPR 7 -7.439 8.091 -0.337
40 HB3 DPR 7 2HB DPR 7 -7.335 9.534 0.683
41 HG2 DPR 7 1HG DPR 7 -6.168 6.802 1.148
42 HG3 DPR 7 2HG DPR 7 -7.152 7.783 2.249
43 HD2 DPR 7 1HD DPR 7 -4.444 7.713 2.377
44 HD3 DPR 7 2HD DPR 7 -5.386 9.156 2.800
45 H VAL 8 H VAL 8 -3.281 7.822 -0.469
46 HA VAL 8 HA VAL 8 -3.884 6.463 -2.941
47 HB VAL 8 HB VAL 8 -1.375 6.338 -1.233
48 HG11 VAL 8 1HG1 VAL 8 -1.631 4.364 -2.638
49 HG12 VAL 8 2HG1 VAL 8 -0.304 5.377 -3.205
50 HG13 VAL 8 3HG1 VAL 8 -1.846 5.389 -4.060
51 HG21 VAL 8 1HG2 VAL 8 -0.365 7.808 -2.927
52 HG22 VAL 8 2HG2 VAL 8 -1.723 8.580 -2.110
53 HG23 VAL 8 3HG2 VAL 8 -1.926 7.933 -3.738
54 H LYS 9 H LYS 9 -4.858 4.613 -2.909
55 HA LYS 9 HA LYS 9 -4.798 2.920 -0.505
56 HB2 LYS 9 2HB LYS 9 -6.677 2.922 -2.878
57 HB3 LYS 9 1HB LYS 9 -6.797 1.863 -1.487
58 HG2 LYS 9 2HG LYS 9 -7.398 3.697 -0.064
59 HG3 LYS 9 1HG LYS 9 -7.047 4.863 -1.344
60 HD2 LYS 9 2HD LYS 9 -8.836 3.899 -2.704
61 HD3 LYS 9 1HD LYS 9 -9.174 2.730 -1.435
62 HE2 LYS 9 2HE LYS 9 -9.346 5.713 -1.062
63 HE3 LYS 9 1HE LYS 9 -10.715 4.706 -1.516
64 HZ1 LYS 9 1HZ LYS 9 -10.442 3.487 0.556
65 HZ2 LYS 9 2HZ LYS 9 -10.672 5.132 0.840
66 HZ3 LYS 9 3HZ LYS 9 -9.154 4.471 1.028
67 H VAL 10 H VAL 10 -3.227 1.416 -0.756
68 HA VAL 10 HA VAL 10 -2.989 0.262 -3.416
69 HB VAL 10 HB VAL 10 -1.019 1.625 -3.057
70 HG11 VAL 10 1HG1 VAL 10 -1.008 1.746 -0.646
71 HG12 VAL 10 2HG1 VAL 10 0.568 1.237 -1.255
72 HG13 VAL 10 3HG1 VAL 10 -0.531 0.051 -0.550
73 HG21 VAL 10 1HG2 VAL 10 -0.350 -1.288 -2.741
74 HG22 VAL 10 2HG2 VAL 10 0.758 -0.038 -3.308
75 HG23 VAL 10 3HG2 VAL 10 -0.671 -0.448 -4.256
76 H CYS 11 H CYS 11 -3.042 -1.859 -3.613
77 HA CYS 11 HA CYS 11 -3.312 -3.421 -1.149
78 HB2 CYS 11 2HB CYS 11 -4.758 -3.830 -3.768
79 HB3 CYS 11 1HB CYS 11 -4.995 -4.732 -2.274
80 H ARG 12 H ARG 12 -1.902 -4.984 -0.954
81 HA ARG 12 HA ARG 12 -0.787 -6.306 -3.310
82 HB2 ARG 12 2HB ARG 12 0.867 -5.249 -0.985
83 HB3 ARG 12 1HB ARG 12 1.478 -6.278 -2.256
84 HG2 ARG 12 2HG ARG 12 0.434 -3.476 -2.606
85 HG3 ARG 12 1HG ARG 12 2.131 -3.937 -2.563
86 HD2 ARG 12 2HD ARG 12 1.768 -5.322 -4.579
87 HD3 ARG 12 1HD ARG 12 0.088 -4.786 -4.623
88 HE ARG 12 HE ARG 12 2.460 -3.128 -5.040
89 HH11 ARG 12 1HH1 ARG 12 -1.044 -3.611 -5.442
90 HH12 ARG 12 2HH1 ARG 12 -1.263 -2.225 -6.392
91 HH21 ARG 12 1HH2 ARG 12 2.116 -1.154 -6.263
92 HH22 ARG 12 2HH2 ARG 12 0.554 -0.792 -6.853
93 HA PRO 13 HA PRO 13 -1.633 -9.950 -0.877
94 HB2 PRO 13 2HB PRO 13 1.101 -10.896 -1.580
95 HB3 PRO 13 1HB PRO 13 -0.450 -11.709 -1.809
96 HG2 PRO 13 2HG PRO 13 0.799 -10.648 -3.887
97 HG3 PRO 13 1HG PRO 13 -0.959 -10.480 -3.720
98 HD2 PRO 13 2HD PRO 13 1.190 -8.467 -3.172
99 HD3 PRO 13 1HD PRO 13 -0.395 -8.254 -3.939
100 H ASP 14 H ASP 14 1.802 -9.040 -0.583
101 HA ASP 14 HA ASP 14 1.672 -9.776 2.217
102 HB2 ASP 14 2HB ASP 14 4.032 -8.970 0.508
103 HB3 ASP 14 1HB ASP 14 4.141 -9.384 2.215
104 HA PRO 15 HA PRO 15 0.931 -5.665 3.600
105 HB2 PRO 15 2HB PRO 15 2.104 -5.864 6.086
106 HB3 PRO 15 1HB PRO 15 0.487 -6.464 5.702
107 HG2 PRO 15 2HG PRO 15 3.079 -7.955 5.826
108 HG3 PRO 15 1HG PRO 15 1.490 -8.435 6.443
109 HD2 PRO 15 2HD PRO 15 2.437 -9.424 4.158
110 HD3 PRO 15 1HD PRO 15 0.712 -9.020 4.325
111 H GLU 16 H GLU 16 4.109 -7.062 3.847
112 HA GLU 16 HA GLU 16 5.608 -4.748 4.398
113 HB2 GLU 16 2HB GLU 16 6.420 -7.185 2.830
114 HB3 GLU 16 1HB GLU 16 7.520 -6.001 3.520
115 HG2 GLU 16 2HG GLU 16 6.701 -6.603 5.757
116 HG3 GLU 16 1HG GLU 16 5.686 -7.846 5.025
117 H GLU 17 H GLU 17 4.740 -6.312 1.370
118 HA GLU 17 HA GLU 17 6.054 -4.545 -0.373
119 HB2 GLU 17 2HB GLU 17 5.222 -6.820 -0.946
120 HB3 GLU 17 1HB GLU 17 3.582 -6.208 -0.850
121 HG2 GLU 17 2HG GLU 17 4.346 -6.374 -3.154
122 HG3 GLU 17 1HG GLU 17 4.011 -4.704 -2.699
123 H ALA 18 H ALA 18 2.776 -4.714 0.866
124 HA ALA 18 HA ALA 18 1.662 -2.568 -0.528
125 HB1 ALA 18 1HB ALA 18 0.337 -4.221 0.725
126 HB2 ALA 18 2HB ALA 18 -0.085 -2.572 1.176
127 HB3 ALA 18 3HB ALA 18 0.936 -3.543 2.238
128 H ARG 19 H ARG 19 3.215 -2.649 2.658
129 HA ARG 19 HA ARG 19 3.016 0.054 3.319
130 HB2 ARG 19 2HB ARG 19 5.071 -2.012 4.003
131 HB3 ARG 19 1HB ARG 19 5.164 -0.376 4.612
132 HG2 ARG 19 2HG ARG 19 3.011 -0.681 5.732
133 HG3 ARG 19 1HG ARG 19 2.941 -2.338 5.115
134 HD2 ARG 19 2HD ARG 19 3.808 -2.223 7.434
135 HD3 ARG 19 1HD ARG 19 4.958 -2.907 6.282
136 HE ARG 19 HE ARG 19 5.416 -0.161 6.467
137 HH11 ARG 19 1HH1 ARG 19 5.846 -3.049 8.461
138 HH12 ARG 19 2HH1 ARG 19 7.122 -2.403 9.380
139 HH21 ARG 19 1HH2 ARG 19 7.168 0.713 7.677
140 HH22 ARG 19 2HH2 ARG 19 7.888 -0.196 8.931
141 H ARG 20 H ARG 20 5.585 -1.680 1.631
142 HA ARG 20 HA ARG 20 7.290 0.506 1.322
143 HB2 ARG 20 2HB ARG 20 8.125 -1.746 1.074
144 HB3 ARG 20 1HB ARG 20 7.073 -2.032 -0.300
145 HG2 ARG 20 2HG ARG 20 8.919 0.237 -0.604
146 HG3 ARG 20 1HG ARG 20 9.683 -1.345 -0.479
147 HD2 ARG 20 2HD ARG 20 7.474 -0.665 -2.417
148 HD3 ARG 20 1HD ARG 20 9.194 -0.655 -2.811
149 HE ARG 20 HE ARG 20 7.477 -2.951 -2.475
150 HH11 ARG 20 1HH1 ARG 20 10.822 -1.797 -2.763
151 HH12 ARG 20 2HH1 ARG 20 11.477 -3.367 -2.929
152 HH21 ARG 20 1HH2 ARG 20 8.415 -5.086 -2.702
153 HH22 ARG 20 2HH2 ARG 20 10.107 -5.256 -2.877
154 H GLU 21 H GLU 21 4.832 -0.778 -0.851
155 HA GLU 21 HA GLU 21 5.180 1.052 -2.914
156 HB2 GLU 21 2HB GLU 21 2.738 -0.403 -1.938
157 HB3 GLU 21 1HB GLU 21 2.732 0.627 -3.363
158 HG2 GLU 21 2HG GLU 21 4.592 -1.703 -3.038
159 HG3 GLU 21 1HG GLU 21 2.995 -1.830 -3.775
160 H ALA 22 H ALA 22 3.112 1.205 -0.053
161 HA ALA 22 HA ALA 22 1.810 3.598 -0.578
162 HB1 ALA 22 1HB ALA 22 1.281 3.655 1.783
163 HB2 ALA 22 2HB ALA 22 2.549 2.474 2.111
164 HB3 ALA 22 3HB ALA 22 1.139 2.010 1.158
165 H GLU 23 H GLU 23 4.780 3.090 1.341
166 HA GLU 23 HA GLU 23 5.068 5.836 1.967
167 HB2 GLU 23 2HB GLU 23 7.358 5.285 2.686
168 HB3 GLU 23 1HB GLU 23 6.172 4.177 3.352
169 HG2 GLU 23 2HG GLU 23 6.797 2.484 1.771
170 HG3 GLU 23 1HG GLU 23 7.890 3.598 0.953
171 H GLU 24 H GLU 24 6.223 3.951 -0.762
172 HA GLU 24 HA GLU 24 7.871 6.082 -1.685
173 HB2 GLU 24 2HB GLU 24 6.769 3.734 -3.188
174 HB3 GLU 24 1HB GLU 24 7.968 4.852 -3.824
175 HG2 GLU 24 2HG GLU 24 9.431 4.174 -1.888
176 HG3 GLU 24 1HG GLU 24 8.260 2.894 -1.567
177 H ARG 25 H ARG 25 4.547 5.146 -2.172
178 HA ARG 25 HA ARG 25 4.059 6.952 -4.320
179 HB2 ARG 25 2HB ARG 25 2.060 5.913 -2.294
180 HB3 ARG 25 1HB ARG 25 1.663 6.723 -3.790
181 HG2 ARG 25 2HG ARG 25 2.869 3.980 -3.452
182 HG3 ARG 25 1HG ARG 25 1.257 4.364 -4.028
183 HD2 ARG 25 2HD ARG 25 2.303 3.937 -6.005
184 HD3 ARG 25 1HD ARG 25 2.609 5.666 -5.875
185 HE ARG 25 HE ARG 25 4.591 3.730 -4.923
186 HH11 ARG 25 1HH1 ARG 25 3.783 6.426 -7.094
187 HH12 ARG 25 2HH1 ARG 25 5.313 6.481 -7.811
188 HH21 ARG 25 1HH2 ARG 25 6.650 3.790 -5.937
189 HH22 ARG 25 2HH2 ARG 25 6.997 4.934 -7.163
190 H CYS 26 H CYS 26 3.839 7.176 -0.841
191 HA CYS 26 HA CYS 26 2.923 9.896 -0.875
192 HB2 CYS 26 2HB CYS 26 3.825 8.052 1.325
193 HB3 CYS 26 1HB CYS 26 3.222 9.669 1.633
194 HN1 NH2 27 HN1 NH2 27 4.500 11.037 -1.930
195 HN2 NH2 27 HN2 NH2 27 6.070 11.336 -1.267
Start of MODEL 7
1 H1 THR 1 1HT THR 1 -2.822 -6.403 3.179
2 H2 THR 1 2HT THR 1 -3.958 -7.652 3.400
3 H3 THR 1 3HT THR 1 -4.403 -6.061 3.672
4 HA THR 1 HA THR 1 -3.644 -7.283 1.101
5 HB THR 1 HB THR 1 -6.312 -6.141 1.924
6 HG1 THR 1 1HG THR 1 -5.593 -8.911 1.904
7 HG21 THR 1 1HG2 THR 1 -5.478 -8.057 -0.270
8 HG22 THR 1 2HG2 THR 1 -5.887 -6.357 -0.490
9 HG23 THR 1 3HG2 THR 1 -7.123 -7.500 0.035
10 H CYS 2 H CYS 2 -5.185 -4.335 2.551
11 HA CYS 2 HA CYS 2 -3.757 -2.828 0.486
12 HB2 CYS 2 2HB CYS 2 -6.548 -2.320 1.528
13 HB3 CYS 2 1HB CYS 2 -5.684 -1.310 0.375
14 H VAL 3 H VAL 3 -2.914 -0.899 1.091
15 HA VAL 3 HA VAL 3 -3.314 -0.101 3.871
16 HB VAL 3 HB VAL 3 -1.023 0.863 3.895
17 HG11 VAL 3 1HG1 VAL 3 -1.052 -2.076 3.251
18 HG12 VAL 3 2HG1 VAL 3 -1.327 -1.343 4.831
19 HG13 VAL 3 3HG1 VAL 3 0.257 -1.218 4.064
20 HG21 VAL 3 1HG2 VAL 3 0.613 0.236 2.158
21 HG22 VAL 3 2HG2 VAL 3 -0.695 1.234 1.523
22 HG23 VAL 3 3HG2 VAL 3 -0.693 -0.504 1.228
23 H GLU 4 H GLU 4 -3.950 1.888 4.146
24 HA GLU 4 HA GLU 4 -4.357 3.513 1.782
25 HB2 GLU 4 2HB GLU 4 -5.385 3.957 4.600
26 HB3 GLU 4 1HB GLU 4 -5.854 4.865 3.176
27 HG2 GLU 4 2HG GLU 4 -7.652 3.461 3.407
28 HG3 GLU 4 1HG GLU 4 -6.650 2.521 2.312
29 H CYS 5 H CYS 5 -2.855 4.946 1.313
30 HA CYS 5 HA CYS 5 -1.618 6.401 3.536
31 HB2 CYS 5 2HB CYS 5 0.009 4.743 2.625
32 HB3 CYS 5 1HB CYS 5 -0.166 5.485 1.037
33 H DAL 6 H DAL 6 -2.183 8.429 3.381
34 HA DAL 6 HA DAL 6 -1.825 10.051 1.173
35 HB1 DAL 6 1HB DAL 6 -3.078 11.758 2.334
36 HB2 DAL 6 2HB DAL 6 -2.050 10.897 3.477
37 HB3 DAL 6 3HB DAL 6 -3.778 10.560 3.419
38 HA DPR 7 HA DPR 7 -6.407 9.509 -0.166
39 HB2 DPR 7 1HB DPR 7 -7.501 7.123 1.092
40 HB3 DPR 7 2HB DPR 7 -8.112 8.779 1.154
41 HG2 DPR 7 1HG DPR 7 -7.074 7.532 3.318
42 HG3 DPR 7 2HG DPR 7 -6.932 9.281 3.065
43 HD2 DPR 7 1HD DPR 7 -4.926 7.125 2.493
44 HD3 DPR 7 2HD DPR 7 -4.691 8.680 3.317
45 H VAL 8 H VAL 8 -3.889 7.547 -0.397
46 HA VAL 8 HA VAL 8 -4.967 6.245 -2.740
47 HB VAL 8 HB VAL 8 -2.117 6.339 -1.709
48 HG11 VAL 8 1HG1 VAL 8 -1.476 5.677 -3.980
49 HG12 VAL 8 2HG1 VAL 8 -3.177 5.543 -4.420
50 HG13 VAL 8 3HG1 VAL 8 -2.493 4.456 -3.211
51 HG21 VAL 8 1HG2 VAL 8 -1.746 8.052 -3.436
52 HG22 VAL 8 2HG2 VAL 8 -2.919 8.572 -2.227
53 HG23 VAL 8 3HG2 VAL 8 -3.469 8.029 -3.811
54 H LYS 9 H LYS 9 -5.630 4.205 -2.708
55 HA LYS 9 HA LYS 9 -4.914 2.504 -0.461
56 HB2 LYS 9 2HB LYS 9 -6.763 1.946 -2.792
57 HB3 LYS 9 1HB LYS 9 -6.507 0.885 -1.424
58 HG2 LYS 9 2HG LYS 9 -7.461 2.681 0.036
59 HG3 LYS 9 1HG LYS 9 -7.868 3.570 -1.436
60 HD2 LYS 9 2HD LYS 9 -9.160 1.595 -2.223
61 HD3 LYS 9 1HD LYS 9 -8.815 0.799 -0.694
62 HE2 LYS 9 2HE LYS 9 -11.014 1.724 -0.560
63 HE3 LYS 9 1HE LYS 9 -9.947 2.684 0.464
64 HZ1 LYS 9 1HZ LYS 9 -9.840 4.351 -1.315
65 HZ2 LYS 9 2HZ LYS 9 -11.430 4.082 -0.833
66 HZ3 LYS 9 3HZ LYS 9 -10.869 3.418 -2.260
67 H VAL 10 H VAL 10 -3.091 1.460 -0.642
68 HA VAL 10 HA VAL 10 -2.258 0.472 -3.278
69 HB VAL 10 HB VAL 10 -0.641 0.692 -0.711
70 HG11 VAL 10 1HG1 VAL 10 0.140 -1.112 -2.154
71 HG12 VAL 10 2HG1 VAL 10 1.294 0.222 -2.113
72 HG13 VAL 10 3HG1 VAL 10 0.242 0.011 -3.513
73 HG21 VAL 10 1HG2 VAL 10 0.543 2.533 -1.825
74 HG22 VAL 10 2HG2 VAL 10 -1.169 2.897 -1.607
75 HG23 VAL 10 3HG2 VAL 10 -0.564 2.413 -3.191
76 H CYS 11 H CYS 11 -2.611 -1.651 -3.640
77 HA CYS 11 HA CYS 11 -3.092 -3.317 -1.290
78 HB2 CYS 11 2HB CYS 11 -4.438 -3.518 -3.983
79 HB3 CYS 11 1HB CYS 11 -4.727 -4.569 -2.600
80 H ARG 12 H ARG 12 -2.086 -5.147 -1.097
81 HA ARG 12 HA ARG 12 -0.914 -6.561 -3.276
82 HB2 ARG 12 2HB ARG 12 0.750 -4.689 -2.620
83 HB3 ARG 12 1HB ARG 12 0.877 -5.499 -1.069
84 HG2 ARG 12 2HG ARG 12 2.744 -6.095 -2.435
85 HG3 ARG 12 1HG ARG 12 1.710 -7.513 -2.230
86 HD2 ARG 12 2HD ARG 12 2.455 -7.329 -4.537
87 HD3 ARG 12 1HD ARG 12 0.714 -7.074 -4.425
88 HE ARG 12 HE ARG 12 2.280 -4.653 -4.360
89 HH11 ARG 12 1HH1 ARG 12 0.596 -6.949 -6.485
90 HH12 ARG 12 2HH1 ARG 12 0.512 -5.865 -7.798
91 HH21 ARG 12 1HH2 ARG 12 2.174 -3.217 -6.094
92 HH22 ARG 12 2HH2 ARG 12 1.440 -3.643 -7.578
93 HA PRO 13 HA PRO 13 -2.221 -9.682 -0.195
94 HB2 PRO 13 2HB PRO 13 -0.118 -11.318 -1.541
95 HB3 PRO 13 1HB PRO 13 -1.807 -11.723 -1.212
96 HG2 PRO 13 2HG PRO 13 -1.053 -11.087 -3.668
97 HG3 PRO 13 1HG PRO 13 -2.591 -10.485 -3.021
98 HD2 PRO 13 2HD PRO 13 0.007 -9.043 -3.378
99 HD3 PRO 13 1HD PRO 13 -1.653 -8.473 -3.645
100 H ASP 14 H ASP 14 0.901 -8.505 -0.657
101 HA ASP 14 HA ASP 14 1.874 -9.584 1.885
102 HB2 ASP 14 2HB ASP 14 3.444 -8.274 -0.351
103 HB3 ASP 14 1HB ASP 14 4.122 -9.003 1.099
104 HA PRO 15 HA PRO 15 0.578 -5.395 3.025
105 HB2 PRO 15 2HB PRO 15 1.262 -5.613 5.673
106 HB3 PRO 15 1HB PRO 15 -0.257 -6.204 4.991
107 HG2 PRO 15 2HG PRO 15 2.264 -7.689 5.568
108 HG3 PRO 15 1HG PRO 15 0.595 -8.175 5.906
109 HD2 PRO 15 2HD PRO 15 1.928 -9.160 3.834
110 HD3 PRO 15 1HD PRO 15 0.201 -8.771 3.683
111 H GLU 16 H GLU 16 3.706 -6.807 3.883
112 HA GLU 16 HA GLU 16 4.974 -4.385 4.573
113 HB2 GLU 16 2HB GLU 16 5.932 -6.560 5.160
114 HB3 GLU 16 1HB GLU 16 6.149 -6.930 3.453
115 HG2 GLU 16 2HG GLU 16 7.718 -5.093 3.254
116 HG3 GLU 16 1HG GLU 16 7.517 -4.740 4.970
117 H GLU 17 H GLU 17 4.719 -6.164 1.534
118 HA GLU 17 HA GLU 17 6.265 -4.372 -0.014
119 HB2 GLU 17 2HB GLU 17 4.110 -6.315 -0.836
120 HB3 GLU 17 1HB GLU 17 5.155 -5.462 -1.963
121 HG2 GLU 17 2HG GLU 17 6.100 -7.365 0.165
122 HG3 GLU 17 1HG GLU 17 5.858 -7.789 -1.527
123 H ALA 18 H ALA 18 2.845 -4.585 0.746
124 HA ALA 18 HA ALA 18 1.908 -2.551 -0.943
125 HB1 ALA 18 1HB ALA 18 0.841 -3.319 1.781
126 HB2 ALA 18 2HB ALA 18 0.407 -4.108 0.267
127 HB3 ALA 18 3HB ALA 18 -0.034 -2.425 0.540
128 H ARG 19 H ARG 19 2.945 -2.406 2.453
129 HA ARG 19 HA ARG 19 2.686 0.369 2.861
130 HB2 ARG 19 2HB ARG 19 3.152 -1.423 4.600
131 HB3 ARG 19 1HB ARG 19 4.822 -1.399 4.057
132 HG2 ARG 19 2HG ARG 19 4.679 1.146 4.559
133 HG3 ARG 19 1HG ARG 19 3.292 0.686 5.551
134 HD2 ARG 19 2HD ARG 19 5.199 0.667 6.972
135 HD3 ARG 19 1HD ARG 19 4.790 -1.021 6.640
136 HE ARG 19 HE ARG 19 6.825 0.425 5.104
137 HH11 ARG 19 1HH1 ARG 19 5.944 -2.381 7.097
138 HH12 ARG 19 2HH1 ARG 19 7.408 -3.205 6.877
139 HH21 ARG 19 1HH2 ARG 19 8.844 -0.728 4.729
140 HH22 ARG 19 2HH2 ARG 19 9.134 -2.230 5.467
141 H ARG 20 H ARG 20 5.366 -1.612 1.776
142 HA ARG 20 HA ARG 20 7.422 0.198 1.466
143 HB2 ARG 20 2HB ARG 20 7.624 -2.214 1.289
144 HB3 ARG 20 1HB ARG 20 6.661 -2.203 -0.170
145 HG2 ARG 20 2HG ARG 20 8.451 -0.985 -1.316
146 HG3 ARG 20 1HG ARG 20 9.421 -1.064 0.164
147 HD2 ARG 20 2HD ARG 20 9.278 -3.497 0.135
148 HD3 ARG 20 1HD ARG 20 8.318 -3.428 -1.337
149 HE ARG 20 HE ARG 20 10.654 -2.079 -1.855
150 HH11 ARG 20 1HH1 ARG 20 9.703 -5.411 -1.003
151 HH12 ARG 20 2HH1 ARG 20 11.093 -6.093 -1.713
152 HH21 ARG 20 1HH2 ARG 20 12.458 -3.066 -2.891
153 HH22 ARG 20 2HH2 ARG 20 12.662 -4.761 -2.850
154 H GLU 21 H GLU 21 5.028 -0.820 -0.972
155 HA GLU 21 HA GLU 21 5.820 0.976 -2.975
156 HB2 GLU 21 2HB GLU 21 3.194 -0.403 -2.459
157 HB3 GLU 21 1HB GLU 21 3.500 0.560 -3.898
158 HG2 GLU 21 2HG GLU 21 5.307 -0.970 -4.511
159 HG3 GLU 21 1HG GLU 21 4.991 -1.918 -3.060
160 H ALA 22 H ALA 22 3.433 1.235 -0.405
161 HA ALA 22 HA ALA 22 2.279 3.674 -1.164
162 HB1 ALA 22 1HB ALA 22 1.280 2.153 0.480
163 HB2 ALA 22 2HB ALA 22 1.421 3.798 1.103
164 HB3 ALA 22 3HB ALA 22 2.563 2.558 1.620
165 H GLU 23 H GLU 23 4.866 3.078 1.222
166 HA GLU 23 HA GLU 23 5.301 5.756 1.926
167 HB2 GLU 23 2HB GLU 23 7.263 3.461 1.916
168 HB3 GLU 23 1HB GLU 23 7.506 4.992 2.740
169 HG2 GLU 23 2HG GLU 23 5.598 4.518 4.183
170 HG3 GLU 23 1HG GLU 23 5.342 2.993 3.336
171 H GLU 24 H GLU 24 6.519 3.882 -0.749
172 HA GLU 24 HA GLU 24 8.567 5.719 -1.527
173 HB2 GLU 24 2HB GLU 24 8.529 3.256 -2.032
174 HB3 GLU 24 1HB GLU 24 7.228 3.554 -3.168
175 HG2 GLU 24 2HG GLU 24 9.340 3.304 -4.325
176 HG3 GLU 24 1HG GLU 24 8.729 4.947 -4.513
177 H ARG 25 H ARG 25 5.202 5.723 -1.845
178 HA ARG 25 HA ARG 25 5.297 7.570 -4.129
179 HB2 ARG 25 2HB ARG 25 2.939 6.075 -2.962
180 HB3 ARG 25 1HB ARG 25 2.870 7.155 -4.354
181 HG2 ARG 25 2HG ARG 25 4.305 5.721 -5.617
182 HG3 ARG 25 1HG ARG 25 4.587 4.699 -4.215
183 HD2 ARG 25 2HD ARG 25 2.154 4.158 -4.219
184 HD3 ARG 25 1HD ARG 25 2.015 5.052 -5.739
185 HE ARG 25 HE ARG 25 3.950 3.444 -6.381
186 HH11 ARG 25 1HH1 ARG 25 0.873 2.676 -4.897
187 HH12 ARG 25 2HH1 ARG 25 0.998 0.994 -5.164
188 HH21 ARG 25 1HH2 ARG 25 4.129 1.182 -6.781
189 HH22 ARG 25 2HH2 ARG 25 2.954 0.092 -6.214
190 H CYS 26 H CYS 26 4.250 7.215 -0.826
191 HA CYS 26 HA CYS 26 3.149 9.851 -0.646
192 HB2 CYS 26 2HB CYS 26 3.867 7.814 1.467
193 HB3 CYS 26 1HB CYS 26 3.037 9.328 1.796
194 HN1 NH2 27 HN1 NH2 27 4.763 11.258 -1.235
195 HN2 NH2 27 HN2 NH2 27 6.178 11.535 -0.279
Start of MODEL 8
1 H1 THR 1 1HT THR 1 -2.332 -7.336 1.373
2 H2 THR 1 2HT THR 1 -3.245 -8.339 2.427
3 H3 THR 1 3HT THR 1 -2.846 -6.763 2.899
4 HA THR 1 HA THR 1 -4.475 -7.537 0.616
5 HB THR 1 HB THR 1 -5.467 -6.322 3.193
6 HG1 THR 1 1HG THR 1 -6.213 -8.834 3.010
7 HG21 THR 1 1HG2 THR 1 -7.630 -7.141 2.347
8 HG22 THR 1 2HG2 THR 1 -6.827 -7.813 0.933
9 HG23 THR 1 3HG2 THR 1 -6.876 -6.067 1.169
10 H CYS 2 H CYS 2 -4.679 -4.649 2.790
11 HA CYS 2 HA CYS 2 -3.803 -3.007 0.558
12 HB2 CYS 2 2HB CYS 2 -6.530 -2.685 1.840
13 HB3 CYS 2 1HB CYS 2 -5.808 -1.576 0.689
14 H VAL 3 H VAL 3 -2.868 -1.166 1.177
15 HA VAL 3 HA VAL 3 -3.122 -0.346 3.980
16 HB VAL 3 HB VAL 3 -0.832 0.552 3.904
17 HG11 VAL 3 1HG1 VAL 3 0.449 -1.542 3.871
18 HG12 VAL 3 2HG1 VAL 3 -0.926 -2.350 3.116
19 HG13 VAL 3 3HG1 VAL 3 -1.076 -1.692 4.744
20 HG21 VAL 3 1HG2 VAL 3 0.683 0.012 2.020
21 HG22 VAL 3 2HG2 VAL 3 -0.647 1.068 1.550
22 HG23 VAL 3 3HG2 VAL 3 -0.699 -0.645 1.142
23 H GLU 4 H GLU 4 -3.068 1.979 4.291
24 HA GLU 4 HA GLU 4 -3.625 3.456 1.834
25 HB2 GLU 4 2HB GLU 4 -5.318 3.541 4.334
26 HB3 GLU 4 1HB GLU 4 -5.518 4.598 2.943
27 HG2 GLU 4 2HG GLU 4 -5.999 2.656 1.540
28 HG3 GLU 4 1HG GLU 4 -5.816 1.602 2.940
29 H CYS 5 H CYS 5 -2.345 5.079 1.671
30 HA CYS 5 HA CYS 5 -1.489 6.513 4.094
31 HB2 CYS 5 2HB CYS 5 0.395 5.222 3.101
32 HB3 CYS 5 1HB CYS 5 0.131 6.047 1.571
33 H DAL 6 H DAL 6 -2.724 8.307 4.019
34 HA DAL 6 HA DAL 6 -2.161 10.370 2.309
35 HB1 DAL 6 1HB DAL 6 -4.016 11.592 3.232
36 HB2 DAL 6 2HB DAL 6 -3.236 10.656 4.506
37 HB3 DAL 6 3HB DAL 6 -4.759 10.106 3.819
38 HA DPR 7 HA DPR 7 -5.848 9.619 -0.610
39 HB2 DPR 7 1HB DPR 7 -7.544 7.593 -0.353
40 HB3 DPR 7 2HB DPR 7 -7.661 9.004 0.708
41 HG2 DPR 7 1HG DPR 7 -6.443 6.314 1.245
42 HG3 DPR 7 2HG DPR 7 -7.503 7.288 2.280
43 HD2 DPR 7 1HD DPR 7 -4.763 7.207 2.515
44 HD3 DPR 7 2HD DPR 7 -5.785 8.548 3.063
45 H VAL 8 H VAL 8 -3.370 7.676 -0.116
46 HA VAL 8 HA VAL 8 -3.629 6.345 -2.676
47 HB VAL 8 HB VAL 8 -1.275 6.458 -0.754
48 HG11 VAL 8 1HG1 VAL 8 -1.154 4.549 -2.252
49 HG12 VAL 8 2HG1 VAL 8 0.076 5.745 -2.667
50 HG13 VAL 8 3HG1 VAL 8 -1.389 5.610 -3.641
51 HG21 VAL 8 1HG2 VAL 8 -1.799 8.097 -3.233
52 HG22 VAL 8 2HG2 VAL 8 -0.325 8.136 -2.264
53 HG23 VAL 8 3HG2 VAL 8 -1.850 8.683 -1.571
54 H LYS 9 H LYS 9 -4.616 4.459 -2.631
55 HA LYS 9 HA LYS 9 -4.356 2.696 -0.297
56 HB2 LYS 9 2HB LYS 9 -6.648 3.352 -1.025
57 HB3 LYS 9 1HB LYS 9 -6.328 2.636 -2.596
58 HG2 LYS 9 2HG LYS 9 -5.914 0.455 -1.340
59 HG3 LYS 9 1HG LYS 9 -6.647 1.251 0.051
60 HD2 LYS 9 2HD LYS 9 -7.939 0.843 -2.649
61 HD3 LYS 9 1HD LYS 9 -8.285 -0.075 -1.190
62 HE2 LYS 9 2HE LYS 9 -8.716 2.900 -1.484
63 HE3 LYS 9 1HE LYS 9 -9.958 1.679 -1.736
64 HZ1 LYS 9 1HZ LYS 9 -8.590 2.324 0.839
65 HZ2 LYS 9 2HZ LYS 9 -9.555 0.973 0.590
66 HZ3 LYS 9 3HZ LYS 9 -10.213 2.503 0.434
67 H VAL 10 H VAL 10 -2.882 1.153 -0.582
68 HA VAL 10 HA VAL 10 -2.384 0.185 -3.313
69 HB VAL 10 HB VAL 10 -0.439 0.185 -0.979
70 HG11 VAL 10 1HG1 VAL 10 -0.148 -1.719 -2.484
71 HG12 VAL 10 2HG1 VAL 10 1.205 -0.599 -2.593
72 HG13 VAL 10 3HG1 VAL 10 -0.025 -0.623 -3.860
73 HG21 VAL 10 1HG2 VAL 10 -0.769 2.429 -1.864
74 HG22 VAL 10 2HG2 VAL 10 -0.461 1.842 -3.499
75 HG23 VAL 10 3HG2 VAL 10 0.831 1.824 -2.299
76 H CYS 11 H CYS 11 -3.094 -1.784 -3.638
77 HA CYS 11 HA CYS 11 -3.404 -3.513 -1.323
78 HB2 CYS 11 2HB CYS 11 -4.927 -3.505 -3.923
79 HB3 CYS 11 1HB CYS 11 -5.145 -4.675 -2.622
80 H ARG 12 H ARG 12 -2.005 -4.980 -1.104
81 HA ARG 12 HA ARG 12 -1.024 -6.564 -3.358
82 HB2 ARG 12 2HB ARG 12 0.795 -5.546 -1.133
83 HB3 ARG 12 1HB ARG 12 1.244 -6.605 -2.440
84 HG2 ARG 12 2HG ARG 12 0.412 -3.741 -2.751
85 HG3 ARG 12 1HG ARG 12 2.069 -4.347 -2.782
86 HD2 ARG 12 2HD ARG 12 1.584 -5.650 -4.750
87 HD3 ARG 12 1HD ARG 12 -0.114 -5.169 -4.672
88 HE ARG 12 HE ARG 12 2.042 -3.221 -5.003
89 HH11 ARG 12 1HH1 ARG 12 -1.018 -4.650 -6.119
90 HH12 ARG 12 2HH1 ARG 12 -1.306 -3.428 -7.276
91 HH21 ARG 12 1HH2 ARG 12 1.571 -1.528 -6.475
92 HH22 ARG 12 2HH2 ARG 12 0.209 -1.606 -7.503
93 HA PRO 13 HA PRO 13 -2.112 -9.873 -0.585
94 HB2 PRO 13 2HB PRO 13 0.560 -11.003 -1.278
95 HB3 PRO 13 1HB PRO 13 -1.025 -11.787 -1.341
96 HG2 PRO 13 2HG PRO 13 0.139 -11.029 -3.578
97 HG3 PRO 13 1HG PRO 13 -1.595 -10.734 -3.344
98 HD2 PRO 13 2HD PRO 13 0.695 -8.827 -3.130
99 HD3 PRO 13 1HD PRO 13 -0.915 -8.579 -3.838
100 H ASP 14 H ASP 14 1.285 -8.961 -0.568
101 HA ASP 14 HA ASP 14 1.513 -9.428 2.265
102 HB2 ASP 14 2HB ASP 14 3.510 -8.453 0.217
103 HB3 ASP 14 1HB ASP 14 3.883 -8.653 1.924
104 HA PRO 15 HA PRO 15 0.099 -5.219 3.013
105 HB2 PRO 15 2HB PRO 15 0.768 -5.224 5.692
106 HB3 PRO 15 1HB PRO 15 -0.746 -5.859 5.042
107 HG2 PRO 15 2HG PRO 15 1.757 -7.310 5.794
108 HG3 PRO 15 1HG PRO 15 0.070 -7.773 6.079
109 HD2 PRO 15 2HD PRO 15 1.512 -8.878 4.143
110 HD3 PRO 15 1HD PRO 15 -0.210 -8.521 3.896
111 H GLU 16 H GLU 16 3.184 -6.404 4.252
112 HA GLU 16 HA GLU 16 4.289 -3.825 4.631
113 HB2 GLU 16 2HB GLU 16 5.618 -6.531 4.450
114 HB3 GLU 16 1HB GLU 16 6.413 -5.050 4.986
115 HG2 GLU 16 2HG GLU 16 4.916 -4.867 6.860
116 HG3 GLU 16 1HG GLU 16 3.990 -6.252 6.297
117 H GLU 17 H GLU 17 4.270 -6.096 1.977
118 HA GLU 17 HA GLU 17 6.141 -4.832 0.289
119 HB2 GLU 17 2HB GLU 17 5.290 -7.076 -0.182
120 HB3 GLU 17 1HB GLU 17 3.663 -6.432 -0.365
121 HG2 GLU 17 2HG GLU 17 4.402 -5.159 -2.316
122 HG3 GLU 17 1HG GLU 17 6.012 -5.850 -2.147
123 H ALA 18 H ALA 18 2.666 -4.555 0.667
124 HA ALA 18 HA ALA 18 2.173 -2.556 -1.224
125 HB1 ALA 18 1HB ALA 18 0.389 -3.904 -0.172
126 HB2 ALA 18 2HB ALA 18 0.083 -2.182 -0.035
127 HB3 ALA 18 3HB ALA 18 0.691 -3.078 1.357
128 H ARG 19 H ARG 19 2.807 -2.381 2.237
129 HA ARG 19 HA ARG 19 2.659 0.351 2.652
130 HB2 ARG 19 2HB ARG 19 2.890 -1.338 4.442
131 HB3 ARG 19 1HB ARG 19 4.562 -1.588 3.971
132 HG2 ARG 19 2HG ARG 19 5.039 0.773 4.531
133 HG3 ARG 19 1HG ARG 19 3.375 0.945 5.090
134 HD2 ARG 19 2HD ARG 19 4.802 0.541 6.988
135 HD3 ARG 19 1HD ARG 19 3.783 -0.873 6.719
136 HE ARG 19 HE ARG 19 6.303 -1.098 5.406
137 HH11 ARG 19 1HH1 ARG 19 4.779 -1.474 8.576
138 HH12 ARG 19 2HH1 ARG 19 5.938 -2.583 9.145
139 HH21 ARG 19 1HH2 ARG 19 7.894 -2.593 6.202
140 HH22 ARG 19 2HH2 ARG 19 7.740 -3.236 7.774
141 H ARG 20 H ARG 20 5.413 -1.571 1.548
142 HA ARG 20 HA ARG 20 7.277 0.516 1.674
143 HB2 ARG 20 2HB ARG 20 7.989 -1.815 1.567
144 HB3 ARG 20 1HB ARG 20 7.336 -1.963 -0.052
145 HG2 ARG 20 2HG ARG 20 9.842 -1.726 0.105
146 HG3 ARG 20 1HG ARG 20 9.035 -0.583 -0.967
147 HD2 ARG 20 2HD ARG 20 10.830 0.410 0.500
148 HD3 ARG 20 1HD ARG 20 9.251 1.180 0.606
149 HE ARG 20 HE ARG 20 9.867 -0.857 2.576
150 HH11 ARG 20 1HH1 ARG 20 9.817 2.601 1.824
151 HH12 ARG 20 2HH1 ARG 20 9.656 3.106 3.442
152 HH21 ARG 20 1HH2 ARG 20 9.584 -0.147 4.839
153 HH22 ARG 20 2HH2 ARG 20 9.468 1.518 5.160
154 H GLU 21 H GLU 21 5.406 -0.624 -1.157
155 HA GLU 21 HA GLU 21 6.527 1.480 -2.721
156 HB2 GLU 21 2HB GLU 21 4.930 0.818 -4.487
157 HB3 GLU 21 1HB GLU 21 5.867 -0.533 -3.877
158 HG2 GLU 21 2HG GLU 21 3.981 -1.318 -2.606
159 HG3 GLU 21 1HG GLU 21 3.059 0.119 -3.058
160 H ALA 22 H ALA 22 3.761 1.175 -0.688
161 HA ALA 22 HA ALA 22 2.310 3.418 -1.554
162 HB1 ALA 22 1HB ALA 22 1.378 1.773 0.023
163 HB2 ALA 22 2HB ALA 22 1.277 3.413 0.664
164 HB3 ALA 22 3HB ALA 22 2.523 2.312 1.250
165 H GLU 23 H GLU 23 4.660 3.103 1.112
166 HA GLU 23 HA GLU 23 4.787 5.815 1.797
167 HB2 GLU 23 2HB GLU 23 6.910 3.681 2.031
168 HB3 GLU 23 1HB GLU 23 7.020 5.267 2.773
169 HG2 GLU 23 2HG GLU 23 4.942 3.174 3.360
170 HG3 GLU 23 1HG GLU 23 6.329 3.576 4.368
171 H GLU 24 H GLU 24 6.382 4.027 -0.697
172 HA GLU 24 HA GLU 24 8.391 5.866 -1.361
173 HB2 GLU 24 2HB GLU 24 8.280 3.462 -2.035
174 HB3 GLU 24 1HB GLU 24 7.023 3.894 -3.184
175 HG2 GLU 24 2HG GLU 24 9.153 3.706 -4.297
176 HG3 GLU 24 1HG GLU 24 8.595 5.379 -4.326
177 H ARG 25 H ARG 25 5.053 5.499 -2.508
178 HA ARG 25 HA ARG 25 5.471 7.782 -4.304
179 HB2 ARG 25 2HB ARG 25 3.179 5.817 -4.210
180 HB3 ARG 25 1HB ARG 25 3.352 7.124 -5.376
181 HG2 ARG 25 2HG ARG 25 5.425 6.102 -6.201
182 HG3 ARG 25 1HG ARG 25 5.221 4.785 -5.049
183 HD2 ARG 25 2HD ARG 25 3.340 5.498 -7.298
184 HD3 ARG 25 1HD ARG 25 4.456 4.143 -7.291
185 HE ARG 25 HE ARG 25 2.035 4.444 -5.682
186 HH11 ARG 25 1HH1 ARG 25 4.722 2.361 -6.705
187 HH12 ARG 25 2HH1 ARG 25 3.894 0.907 -6.322
188 HH21 ARG 25 1HH2 ARG 25 0.944 2.377 -5.181
189 HH22 ARG 25 2HH2 ARG 25 1.829 0.915 -5.447
190 H CYS 26 H CYS 26 4.045 7.027 -1.351
191 HA CYS 26 HA CYS 26 2.089 9.121 -1.351
192 HB2 CYS 26 2HB CYS 26 1.766 7.061 -0.028
193 HB3 CYS 26 1HB CYS 26 3.192 7.441 0.919
194 HN1 NH2 27 HN1 NH2 27 4.912 8.633 0.787
195 HN2 NH2 27 HN2 NH2 27 5.330 10.301 0.857
Start of MODEL 9
1 H1 THR 1 1HT THR 1 -4.210 -5.818 4.116
2 H2 THR 1 2HT THR 1 -2.535 -5.702 3.996
3 H3 THR 1 3HT THR 1 -3.284 -7.224 4.066
4 HA THR 1 HA THR 1 -2.540 -6.768 1.886
5 HB THR 1 HB THR 1 -5.567 -6.654 2.093
6 HG1 THR 1 1HG THR 1 -4.470 -9.130 1.854
7 HG21 THR 1 1HG2 THR 1 -4.690 -6.472 -0.210
8 HG22 THR 1 2HG2 THR 1 -5.503 -8.017 0.043
9 HG23 THR 1 3HG2 THR 1 -3.742 -7.938 0.040
10 H CYS 2 H CYS 2 -5.007 -4.325 2.945
11 HA CYS 2 HA CYS 2 -3.916 -2.587 0.875
12 HB2 CYS 2 2HB CYS 2 -6.711 -2.706 2.002
13 HB3 CYS 2 1HB CYS 2 -6.125 -1.444 0.925
14 H VAL 3 H VAL 3 -3.158 -0.728 1.470
15 HA VAL 3 HA VAL 3 -3.842 0.331 4.093
16 HB VAL 3 HB VAL 3 -1.475 1.298 4.224
17 HG11 VAL 3 1HG1 VAL 3 -2.123 -0.565 5.633
18 HG12 VAL 3 2HG1 VAL 3 -0.460 -0.769 5.070
19 HG13 VAL 3 3HG1 VAL 3 -1.761 -1.698 4.328
20 HG21 VAL 3 1HG2 VAL 3 0.292 0.130 2.970
21 HG22 VAL 3 2HG2 VAL 3 -0.823 0.972 1.893
22 HG23 VAL 3 3HG2 VAL 3 -0.940 -0.776 2.091
23 H GLU 4 H GLU 4 -4.439 2.420 4.061
24 HA GLU 4 HA GLU 4 -4.235 3.778 1.479
25 HB2 GLU 4 2HB GLU 4 -6.183 4.345 3.729
26 HB3 GLU 4 1HB GLU 4 -6.146 5.141 2.173
27 HG2 GLU 4 2HG GLU 4 -7.956 3.636 2.094
28 HG3 GLU 4 1HG GLU 4 -6.676 2.885 1.150
29 H CYS 5 H CYS 5 -2.669 5.180 1.448
30 HA CYS 5 HA CYS 5 -2.190 6.753 3.875
31 HB2 CYS 5 2HB CYS 5 -0.355 5.133 3.430
32 HB3 CYS 5 1HB CYS 5 -0.126 5.860 1.846
33 H DAL 6 H DAL 6 -2.930 8.699 3.480
34 HA DAL 6 HA DAL 6 -1.787 10.442 1.708
35 HB1 DAL 6 1HB DAL 6 -4.549 10.797 2.845
36 HB2 DAL 6 2HB DAL 6 -3.465 12.059 2.267
37 HB3 DAL 6 3HB DAL 6 -3.044 11.127 3.700
38 HA DPR 7 HA DPR 7 -5.089 10.049 -1.646
39 HB2 DPR 7 1HB DPR 7 -7.137 8.349 -1.543
40 HB3 DPR 7 2HB DPR 7 -7.166 9.861 -0.628
41 HG2 DPR 7 1HG DPR 7 -6.612 7.077 0.309
42 HG3 DPR 7 2HG DPR 7 -7.535 8.365 1.103
43 HD2 DPR 7 1HD DPR 7 -4.891 7.700 1.660
44 HD3 DPR 7 2HD DPR 7 -5.675 9.233 2.079
45 H VAL 8 H VAL 8 -3.072 7.807 -0.652
46 HA VAL 8 HA VAL 8 -3.252 6.287 -3.139
47 HB VAL 8 HB VAL 8 -0.963 6.435 -1.150
48 HG11 VAL 8 1HG1 VAL 8 -0.924 4.407 -2.489
49 HG12 VAL 8 2HG1 VAL 8 0.397 5.480 -2.947
50 HG13 VAL 8 3HG1 VAL 8 -1.036 5.362 -3.967
51 HG21 VAL 8 1HG2 VAL 8 -1.345 8.621 -2.147
52 HG22 VAL 8 2HG2 VAL 8 -1.308 7.908 -3.759
53 HG23 VAL 8 3HG2 VAL 8 0.149 7.917 -2.766
54 H LYS 9 H LYS 9 -4.391 4.492 -2.909
55 HA LYS 9 HA LYS 9 -4.156 2.985 -0.427
56 HB2 LYS 9 2HB LYS 9 -6.181 1.748 -1.284
57 HB3 LYS 9 1HB LYS 9 -6.444 3.436 -0.882
58 HG2 LYS 9 2HG LYS 9 -6.406 4.047 -3.230
59 HG3 LYS 9 1HG LYS 9 -6.030 2.385 -3.678
60 HD2 LYS 9 2HD LYS 9 -8.522 3.210 -2.202
61 HD3 LYS 9 1HD LYS 9 -8.445 3.032 -3.954
62 HE2 LYS 9 2HE LYS 9 -7.825 0.686 -3.687
63 HE3 LYS 9 1HE LYS 9 -7.858 0.858 -1.942
64 HZ1 LYS 9 1HZ LYS 9 -10.227 1.308 -2.050
65 HZ2 LYS 9 2HZ LYS 9 -9.877 -0.149 -2.791
66 HZ3 LYS 9 3HZ LYS 9 -10.206 1.195 -3.737
67 H VAL 10 H VAL 10 -2.690 1.507 -0.463
68 HA VAL 10 HA VAL 10 -2.014 0.245 -3.022
69 HB VAL 10 HB VAL 10 -0.436 0.288 -0.435
70 HG11 VAL 10 1HG1 VAL 10 -0.074 -1.720 -1.826
71 HG12 VAL 10 2HG1 VAL 10 1.351 -0.712 -1.663
72 HG13 VAL 10 3HG1 VAL 10 0.419 -0.676 -3.167
73 HG21 VAL 10 1HG2 VAL 10 -0.013 1.799 -3.011
74 HG22 VAL 10 2HG2 VAL 10 1.105 1.766 -1.652
75 HG23 VAL 10 3HG2 VAL 10 -0.497 2.486 -1.458
76 H CYS 11 H CYS 11 -2.679 -1.743 -3.349
77 HA CYS 11 HA CYS 11 -3.251 -3.413 -1.028
78 HB2 CYS 11 2HB CYS 11 -4.696 -3.303 -3.671
79 HB3 CYS 11 1HB CYS 11 -4.974 -4.519 -2.430
80 H ARG 12 H ARG 12 -1.790 -4.896 -0.869
81 HA ARG 12 HA ARG 12 -0.993 -6.409 -3.242
82 HB2 ARG 12 2HB ARG 12 0.891 -5.521 -1.023
83 HB3 ARG 12 1HB ARG 12 1.304 -6.608 -2.324
84 HG2 ARG 12 2HG ARG 12 0.606 -3.690 -2.619
85 HG3 ARG 12 1HG ARG 12 2.228 -4.376 -2.660
86 HD2 ARG 12 2HD ARG 12 -0.007 -4.883 -4.618
87 HD3 ARG 12 1HD ARG 12 1.436 -3.920 -4.906
88 HE ARG 12 HE ARG 12 1.530 -6.824 -4.389
89 HH11 ARG 12 1HH1 ARG 12 2.883 -4.003 -6.035
90 HH12 ARG 12 2HH1 ARG 12 3.599 -4.897 -7.287
91 HH21 ARG 12 1HH2 ARG 12 2.554 -8.068 -6.082
92 HH22 ARG 12 2HH2 ARG 12 3.441 -7.277 -7.299
93 HA PRO 13 HA PRO 13 -2.199 -9.727 -0.501
94 HB2 PRO 13 2HB PRO 13 -0.585 -11.730 -1.491
95 HB3 PRO 13 1HB PRO 13 -2.107 -11.235 -2.236
96 HG2 PRO 13 2HG PRO 13 0.690 -10.479 -2.960
97 HG3 PRO 13 1HG PRO 13 -0.672 -10.874 -4.021
98 HD2 PRO 13 2HD PRO 13 0.088 -8.330 -3.596
99 HD3 PRO 13 1HD PRO 13 -1.617 -8.768 -3.799
100 H ASP 14 H ASP 14 0.992 -8.627 -0.858
101 HA ASP 14 HA ASP 14 1.886 -9.916 1.619
102 HB2 ASP 14 2HB ASP 14 3.425 -8.509 -0.556
103 HB3 ASP 14 1HB ASP 14 4.152 -9.088 0.936
104 HA PRO 15 HA PRO 15 1.048 -5.897 3.458
105 HB2 PRO 15 2HB PRO 15 2.420 -6.347 5.799
106 HB3 PRO 15 1HB PRO 15 0.786 -6.950 5.490
107 HG2 PRO 15 2HG PRO 15 3.403 -8.369 5.206
108 HG3 PRO 15 1HG PRO 15 1.901 -8.944 5.950
109 HD2 PRO 15 2HD PRO 15 2.595 -9.691 3.497
110 HD3 PRO 15 1HD PRO 15 0.895 -9.340 3.879
111 H GLU 16 H GLU 16 4.180 -7.375 3.282
112 HA GLU 16 HA GLU 16 5.779 -5.168 3.922
113 HB2 GLU 16 2HB GLU 16 6.437 -7.552 2.196
114 HB3 GLU 16 1HB GLU 16 7.614 -6.419 2.840
115 HG2 GLU 16 2HG GLU 16 5.835 -8.244 4.442
116 HG3 GLU 16 1HG GLU 16 7.565 -8.438 4.163
117 H GLU 17 H GLU 17 4.817 -6.513 0.806
118 HA GLU 17 HA GLU 17 6.123 -4.639 -0.838
119 HB2 GLU 17 2HB GLU 17 3.605 -6.191 -1.457
120 HB3 GLU 17 1HB GLU 17 4.740 -5.519 -2.616
121 HG2 GLU 17 2HG GLU 17 5.331 -7.744 -0.672
122 HG3 GLU 17 1HG GLU 17 4.977 -7.946 -2.386
123 H ALA 18 H ALA 18 2.929 -4.802 0.604
124 HA ALA 18 HA ALA 18 1.774 -2.612 -0.691
125 HB1 ALA 18 1HB ALA 18 0.447 -4.269 0.527
126 HB2 ALA 18 2HB ALA 18 0.115 -2.641 1.117
127 HB3 ALA 18 3HB ALA 18 1.155 -3.723 2.044
128 H ARG 19 H ARG 19 3.480 -2.836 2.426
129 HA ARG 19 HA ARG 19 3.154 -0.136 3.126
130 HB2 ARG 19 2HB ARG 19 3.841 -1.893 4.753
131 HB3 ARG 19 1HB ARG 19 5.386 -1.994 3.913
132 HG2 ARG 19 2HG ARG 19 5.984 0.224 4.559
133 HG3 ARG 19 1HG ARG 19 4.388 0.513 5.242
134 HD2 ARG 19 2HD ARG 19 6.325 -1.575 6.237
135 HD3 ARG 19 1HD ARG 19 6.151 0.031 6.930
136 HE ARG 19 HE ARG 19 3.648 -1.227 6.850
137 HH11 ARG 19 1HH1 ARG 19 6.733 -1.488 8.579
138 HH12 ARG 19 2HH1 ARG 19 6.076 -2.095 10.010
139 HH21 ARG 19 1HH2 ARG 19 2.708 -2.086 8.834
140 HH22 ARG 19 2HH2 ARG 19 3.724 -2.468 10.148
141 H ARG 20 H ARG 20 5.662 -1.848 1.353
142 HA ARG 20 HA ARG 20 7.582 0.122 1.081
143 HB2 ARG 20 2HB ARG 20 7.914 -2.176 0.313
144 HB3 ARG 20 1HB ARG 20 6.741 -1.927 -0.970
145 HG2 ARG 20 2HG ARG 20 8.279 -0.067 -1.800
146 HG3 ARG 20 1HG ARG 20 9.489 -0.742 -0.707
147 HD2 ARG 20 2HD ARG 20 9.765 -1.661 -2.933
148 HD3 ARG 20 1HD ARG 20 9.240 -2.921 -1.812
149 HE ARG 20 HE ARG 20 7.286 -1.503 -3.470
150 HH11 ARG 20 1HH1 ARG 20 8.995 -4.485 -2.731
151 HH12 ARG 20 2HH1 ARG 20 7.866 -5.535 -3.430
152 HH21 ARG 20 1HH2 ARG 20 5.675 -2.940 -4.569
153 HH22 ARG 20 2HH2 ARG 20 5.966 -4.607 -4.582
154 H GLU 21 H GLU 21 4.958 -0.666 -1.216
155 HA GLU 21 HA GLU 21 5.430 1.543 -2.910
156 HB2 GLU 21 2HB GLU 21 2.983 -0.169 -2.567
157 HB3 GLU 21 1HB GLU 21 3.136 1.065 -3.805
158 HG2 GLU 21 2HG GLU 21 5.086 -0.180 -4.703
159 HG3 GLU 21 1HG GLU 21 4.773 -1.442 -3.511
160 H ALA 22 H ALA 22 3.406 1.087 -0.099
161 HA ALA 22 HA ALA 22 1.751 3.303 -0.339
162 HB1 ALA 22 1HB ALA 22 1.373 3.117 2.048
163 HB2 ALA 22 2HB ALA 22 2.799 2.092 2.211
164 HB3 ALA 22 3HB ALA 22 1.399 1.515 1.308
165 H GLU 23 H GLU 23 4.737 3.074 1.607
166 HA GLU 23 HA GLU 23 4.605 5.896 2.015
167 HB2 GLU 23 2HB GLU 23 6.777 5.657 3.184
168 HB3 GLU 23 1HB GLU 23 5.529 4.585 3.788
169 HG2 GLU 23 2HG GLU 23 6.514 2.755 2.473
170 HG3 GLU 23 1HG GLU 23 7.799 3.853 1.967
171 H GLU 24 H GLU 24 5.835 4.046 -0.489
172 HA GLU 24 HA GLU 24 7.917 5.799 -1.362
173 HB2 GLU 24 2HB GLU 24 7.746 3.413 -2.029
174 HB3 GLU 24 1HB GLU 24 6.288 3.796 -2.922
175 HG2 GLU 24 2HG GLU 24 7.606 5.332 -4.331
176 HG3 GLU 24 1HG GLU 24 9.061 4.794 -3.490
177 H ARG 25 H ARG 25 4.521 5.302 -2.230
178 HA ARG 25 HA ARG 25 4.670 7.639 -3.950
179 HB2 ARG 25 2HB ARG 25 2.668 5.413 -3.784
180 HB3 ARG 25 1HB ARG 25 2.362 6.872 -4.721
181 HG2 ARG 25 2HG ARG 25 4.375 6.450 -6.043
182 HG3 ARG 25 1HG ARG 25 4.693 5.000 -5.095
183 HD2 ARG 25 2HD ARG 25 2.168 5.423 -6.665
184 HD3 ARG 25 1HD ARG 25 3.603 4.669 -7.347
185 HE ARG 25 HE ARG 25 3.394 2.964 -5.641
186 HH11 ARG 25 1HH1 ARG 25 0.472 4.896 -6.302
187 HH12 ARG 25 2HH1 ARG 25 -0.593 3.608 -5.962
188 HH21 ARG 25 1HH2 ARG 25 1.835 1.151 -5.263
189 HH22 ARG 25 2HH2 ARG 25 0.179 1.509 -5.359
190 H CYS 26 H CYS 26 3.604 6.848 -0.886
191 HA CYS 26 HA CYS 26 1.863 9.180 -0.782
192 HB2 CYS 26 2HB CYS 26 0.955 7.204 0.289
193 HB3 CYS 26 1HB CYS 26 2.420 6.986 1.213
194 HN1 NH2 27 HN1 NH2 27 4.138 7.939 1.646
195 HN2 NH2 27 HN2 NH2 27 5.008 9.414 1.823
Start of MODEL 10
1 H1 THR 1 1HT THR 1 -2.053 -6.954 1.559
2 H2 THR 1 2HT THR 1 -2.737 -8.000 2.715
3 H3 THR 1 3HT THR 1 -2.487 -6.369 3.092
4 HA THR 1 HA THR 1 -4.289 -7.389 1.052
5 HB THR 1 HB THR 1 -6.007 -6.293 2.621
6 HG1 THR 1 1HG THR 1 -5.307 -6.279 4.838
7 HG21 THR 1 1HG2 THR 1 -5.776 -8.762 2.323
8 HG22 THR 1 2HG2 THR 1 -6.275 -8.315 3.945
9 HG23 THR 1 3HG2 THR 1 -4.603 -8.778 3.643
10 H CYS 2 H CYS 2 -4.707 -4.459 2.962
11 HA CYS 2 HA CYS 2 -3.828 -2.833 0.726
12 HB2 CYS 2 2HB CYS 2 -6.640 -2.732 1.832
13 HB3 CYS 2 1HB CYS 2 -5.944 -1.542 0.746
14 H VAL 3 H VAL 3 -3.163 -0.844 1.276
15 HA VAL 3 HA VAL 3 -3.678 0.108 3.970
16 HB VAL 3 HB VAL 3 -1.399 1.107 4.080
17 HG11 VAL 3 1HG1 VAL 3 -1.338 -1.868 3.682
18 HG12 VAL 3 2HG1 VAL 3 -1.739 -1.011 5.171
19 HG13 VAL 3 3HG1 VAL 3 -0.105 -0.918 4.512
20 HG21 VAL 3 1HG2 VAL 3 0.371 0.330 2.537
21 HG22 VAL 3 2HG2 VAL 3 -0.864 1.310 1.757
22 HG23 VAL 3 3HG2 VAL 3 -0.873 -0.446 1.548
23 H GLU 4 H GLU 4 -4.081 2.265 4.060
24 HA GLU 4 HA GLU 4 -4.338 3.561 1.457
25 HB2 GLU 4 2HB GLU 4 -6.011 3.760 3.942
26 HB3 GLU 4 1HB GLU 4 -6.158 4.887 2.599
27 HG2 GLU 4 2HG GLU 4 -6.817 3.140 1.119
28 HG3 GLU 4 1HG GLU 4 -6.463 1.913 2.331
29 H CYS 5 H CYS 5 -2.774 4.895 1.205
30 HA CYS 5 HA CYS 5 -1.751 6.324 3.551
31 HB2 CYS 5 2HB CYS 5 -0.137 4.814 2.427
32 HB3 CYS 5 1HB CYS 5 -0.357 5.721 0.937
33 H DAL 6 H DAL 6 -2.745 8.213 3.607
34 HA DAL 6 HA DAL 6 -2.214 10.242 1.819
35 HB1 DAL 6 1HB DAL 6 -3.815 11.600 3.001
36 HB2 DAL 6 2HB DAL 6 -2.909 10.611 4.145
37 HB3 DAL 6 3HB DAL 6 -4.559 10.167 3.711
38 HA DPR 7 HA DPR 7 -6.305 9.686 -0.526
39 HB2 DPR 7 1HB DPR 7 -7.974 7.649 -0.107
40 HB3 DPR 7 2HB DPR 7 -7.975 9.052 0.971
41 HG2 DPR 7 1HG DPR 7 -6.676 6.380 1.326
42 HG3 DPR 7 2HG DPR 7 -7.653 7.297 2.491
43 HD2 DPR 7 1HD DPR 7 -4.911 7.285 2.488
44 HD3 DPR 7 2HD DPR 7 -5.885 8.646 3.078
45 H VAL 8 H VAL 8 -3.735 7.823 -0.447
46 HA VAL 8 HA VAL 8 -4.287 6.647 -3.003
47 HB VAL 8 HB VAL 8 -1.761 6.441 -1.319
48 HG11 VAL 8 1HG1 VAL 8 -0.647 5.816 -3.415
49 HG12 VAL 8 2HG1 VAL 8 -2.199 5.865 -4.251
50 HG13 VAL 8 3HG1 VAL 8 -1.916 4.664 -2.992
51 HG21 VAL 8 1HG2 VAL 8 -0.852 8.187 -2.785
52 HG22 VAL 8 2HG2 VAL 8 -2.261 8.762 -1.893
53 HG23 VAL 8 3HG2 VAL 8 -2.413 8.320 -3.593
54 H LYS 9 H LYS 9 -5.110 4.795 -3.269
55 HA LYS 9 HA LYS 9 -5.523 2.917 -1.106
56 HB2 LYS 9 2HB LYS 9 -7.229 3.653 -2.869
57 HB3 LYS 9 1HB LYS 9 -6.314 2.692 -4.010
58 HG2 LYS 9 2HG LYS 9 -8.216 1.435 -3.302
59 HG3 LYS 9 1HG LYS 9 -6.780 0.690 -2.594
60 HD2 LYS 9 2HD LYS 9 -7.242 1.554 -0.466
61 HD3 LYS 9 1HD LYS 9 -8.390 2.736 -1.095
62 HE2 LYS 9 2HE LYS 9 -9.598 0.990 0.003
63 HE3 LYS 9 1HE LYS 9 -9.886 0.872 -1.724
64 HZ1 LYS 9 1HZ LYS 9 -8.065 -0.834 -0.119
65 HZ2 LYS 9 2HZ LYS 9 -8.280 -0.972 -1.803
66 HZ3 LYS 9 3HZ LYS 9 -9.554 -1.264 -0.759
67 H VAL 10 H VAL 10 -3.630 1.772 -0.722
68 HA VAL 10 HA VAL 10 -2.240 0.679 -3.051
69 HB VAL 10 HB VAL 10 -1.282 0.999 -0.204
70 HG11 VAL 10 1HG1 VAL 10 0.210 0.098 -2.662
71 HG12 VAL 10 2HG1 VAL 10 -0.253 -0.910 -1.290
72 HG13 VAL 10 3HG1 VAL 10 0.920 0.388 -1.072
73 HG21 VAL 10 1HG2 VAL 10 -1.496 3.145 -1.325
74 HG22 VAL 10 2HG2 VAL 10 -0.541 2.550 -2.684
75 HG23 VAL 10 3HG2 VAL 10 0.201 2.733 -1.094
76 H CYS 11 H CYS 11 -2.924 -1.323 -3.486
77 HA CYS 11 HA CYS 11 -3.336 -3.098 -1.214
78 HB2 CYS 11 2HB CYS 11 -4.732 -3.131 -3.895
79 HB3 CYS 11 1HB CYS 11 -4.882 -4.405 -2.685
80 H ARG 12 H ARG 12 -2.400 -5.028 -1.172
81 HA ARG 12 HA ARG 12 -0.869 -6.175 -3.293
82 HB2 ARG 12 2HB ARG 12 0.493 -4.139 -2.426
83 HB3 ARG 12 1HB ARG 12 0.616 -5.040 -0.926
84 HG2 ARG 12 2HG ARG 12 2.619 -5.338 -2.112
85 HG3 ARG 12 1HG ARG 12 1.732 -6.865 -2.193
86 HD2 ARG 12 2HD ARG 12 0.971 -6.302 -4.436
87 HD3 ARG 12 1HD ARG 12 1.783 -4.742 -4.315
88 HE ARG 12 HE ARG 12 3.478 -7.046 -3.957
89 HH11 ARG 12 1HH1 ARG 12 2.271 -4.549 -6.191
90 HH12 ARG 12 2HH1 ARG 12 3.455 -4.867 -7.383
91 HH21 ARG 12 1HH2 ARG 12 5.092 -7.433 -5.589
92 HH22 ARG 12 2HH2 ARG 12 5.100 -6.532 -7.024
93 HA PRO 13 HA PRO 13 -1.950 -9.541 -0.451
94 HB2 PRO 13 2HB PRO 13 0.577 -10.789 -1.420
95 HB3 PRO 13 1HB PRO 13 -1.051 -11.464 -1.359
96 HG2 PRO 13 2HG PRO 13 -0.005 -10.663 -3.670
97 HG3 PRO 13 1HG PRO 13 -1.720 -10.409 -3.301
98 HD2 PRO 13 2HD PRO 13 0.530 -8.449 -3.308
99 HD3 PRO 13 1HD PRO 13 -1.172 -8.224 -3.760
100 H ASP 14 H ASP 14 1.574 -9.060 -0.645
101 HA ASP 14 HA ASP 14 1.867 -9.542 2.170
102 HB2 ASP 14 2HB ASP 14 3.812 -8.623 0.069
103 HB3 ASP 14 1HB ASP 14 4.243 -8.588 1.770
104 HA PRO 15 HA PRO 15 0.849 -5.408 3.334
105 HB2 PRO 15 2HB PRO 15 1.705 -5.547 5.910
106 HB3 PRO 15 1HB PRO 15 0.172 -6.245 5.379
107 HG2 PRO 15 2HG PRO 15 2.817 -7.581 5.790
108 HG3 PRO 15 1HG PRO 15 1.210 -8.132 6.293
109 HD2 PRO 15 2HD PRO 15 2.406 -9.111 4.109
110 HD3 PRO 15 1HD PRO 15 0.651 -8.835 4.141
111 H GLU 16 H GLU 16 3.970 -6.898 3.787
112 HA GLU 16 HA GLU 16 5.335 -4.472 4.311
113 HB2 GLU 16 2HB GLU 16 6.406 -7.144 3.421
114 HB3 GLU 16 1HB GLU 16 7.397 -5.792 3.969
115 HG2 GLU 16 2HG GLU 16 5.339 -7.283 5.583
116 HG3 GLU 16 1HG GLU 16 7.092 -7.372 5.768
117 H GLU 17 H GLU 17 4.681 -6.337 1.408
118 HA GLU 17 HA GLU 17 6.189 -4.595 -0.261
119 HB2 GLU 17 2HB GLU 17 3.920 -6.459 -0.964
120 HB3 GLU 17 1HB GLU 17 4.883 -5.595 -2.148
121 HG2 GLU 17 2HG GLU 17 6.868 -6.802 -1.200
122 HG3 GLU 17 1HG GLU 17 5.724 -7.810 -0.316
123 H ALA 18 H ALA 18 2.913 -4.696 0.926
124 HA ALA 18 HA ALA 18 1.818 -2.619 -0.611
125 HB1 ALA 18 1HB ALA 18 0.115 -2.433 1.124
126 HB2 ALA 18 2HB ALA 18 1.128 -3.339 2.240
127 HB3 ALA 18 3HB ALA 18 0.454 -4.140 0.827
128 H ARG 19 H ARG 19 3.278 -2.550 2.650
129 HA ARG 19 HA ARG 19 3.202 0.232 2.937
130 HB2 ARG 19 2HB ARG 19 5.191 -1.687 4.174
131 HB3 ARG 19 1HB ARG 19 4.974 -0.016 4.654
132 HG2 ARG 19 2HG ARG 19 2.570 -0.649 5.191
133 HG3 ARG 19 1HG ARG 19 3.097 -2.324 5.022
134 HD2 ARG 19 2HD ARG 19 4.260 -0.279 6.902
135 HD3 ARG 19 1HD ARG 19 3.164 -1.577 7.364
136 HE ARG 19 HE ARG 19 5.057 -3.098 6.540
137 HH11 ARG 19 1HH1 ARG 19 5.617 0.055 8.051
138 HH12 ARG 19 2HH1 ARG 19 7.124 -0.342 8.700
139 HH21 ARG 19 1HH2 ARG 19 7.122 -3.678 7.439
140 HH22 ARG 19 2HH2 ARG 19 8.020 -2.545 8.340
141 H ARG 20 H ARG 20 5.583 -1.876 1.485
142 HA ARG 20 HA ARG 20 7.704 -0.123 1.156
143 HB2 ARG 20 2HB ARG 20 7.766 -2.551 0.616
144 HB3 ARG 20 1HB ARG 20 6.834 -2.220 -0.834
145 HG2 ARG 20 2HG ARG 20 8.652 -0.803 -1.677
146 HG3 ARG 20 1HG ARG 20 9.592 -1.164 -0.229
147 HD2 ARG 20 2HD ARG 20 9.408 -3.596 -0.842
148 HD3 ARG 20 1HD ARG 20 8.699 -3.085 -2.367
149 HE ARG 20 HE ARG 20 10.881 -1.722 -2.533
150 HH11 ARG 20 1HH1 ARG 20 10.619 -5.008 -1.188
151 HH12 ARG 20 2HH1 ARG 20 12.202 -5.448 -1.625
152 HH21 ARG 20 1HH2 ARG 20 13.036 -2.328 -3.081
153 HH22 ARG 20 2HH2 ARG 20 13.618 -3.904 -2.711
154 H GLU 21 H GLU 21 5.010 -0.707 -1.108
155 HA GLU 21 HA GLU 21 5.961 1.450 -2.721
156 HB2 GLU 21 2HB GLU 21 3.999 1.017 -4.174
157 HB3 GLU 21 1HB GLU 21 5.072 -0.354 -3.952
158 HG2 GLU 21 2HG GLU 21 3.497 -1.343 -2.399
159 HG3 GLU 21 1HG GLU 21 2.444 0.065 -2.567
160 H ALA 22 H ALA 22 3.559 1.085 -0.252
161 HA ALA 22 HA ALA 22 2.123 3.457 -0.744
162 HB1 ALA 22 1HB ALA 22 1.477 3.361 1.616
163 HB2 ALA 22 2HB ALA 22 2.745 2.176 1.923
164 HB3 ALA 22 3HB ALA 22 1.381 1.758 0.885
165 H GLU 23 H GLU 23 4.949 2.812 1.272
166 HA GLU 23 HA GLU 23 5.394 5.480 2.026
167 HB2 GLU 23 2HB GLU 23 7.256 3.123 1.850
168 HB3 GLU 23 1HB GLU 23 7.699 4.665 2.561
169 HG2 GLU 23 2HG GLU 23 5.583 2.773 3.516
170 HG3 GLU 23 1HG GLU 23 7.152 3.095 4.255
171 H GLU 24 H GLU 24 6.356 3.607 -0.755
172 HA GLU 24 HA GLU 24 8.280 5.445 -1.755
173 HB2 GLU 24 2HB GLU 24 8.085 3.071 -2.517
174 HB3 GLU 24 1HB GLU 24 6.579 3.487 -3.319
175 HG2 GLU 24 2HG GLU 24 8.357 3.394 -4.937
176 HG3 GLU 24 1HG GLU 24 7.805 5.057 -4.763
177 H ARG 25 H ARG 25 4.832 4.965 -2.394
178 HA ARG 25 HA ARG 25 4.616 7.145 -4.211
179 HB2 ARG 25 2HB ARG 25 2.514 5.601 -2.696
180 HB3 ARG 25 1HB ARG 25 2.131 6.876 -3.836
181 HG2 ARG 25 2HG ARG 25 3.586 4.313 -4.480
182 HG3 ARG 25 1HG ARG 25 1.897 4.671 -4.850
183 HD2 ARG 25 2HD ARG 25 2.679 6.609 -6.212
184 HD3 ARG 25 1HD ARG 25 4.334 6.080 -5.930
185 HE ARG 25 HE ARG 25 2.997 3.913 -6.965
186 HH11 ARG 25 1HH1 ARG 25 3.955 7.163 -8.006
187 HH12 ARG 25 2HH1 ARG 25 3.881 6.826 -9.660
188 HH21 ARG 25 1HH2 ARG 25 2.965 3.415 -9.268
189 HH22 ARG 25 2HH2 ARG 25 3.334 4.633 -10.403
190 H CYS 26 H CYS 26 4.283 6.873 -0.763
191 HA CYS 26 HA CYS 26 3.364 9.612 -0.614
192 HB2 CYS 26 2HB CYS 26 3.793 7.501 1.491
193 HB3 CYS 26 1HB CYS 26 3.229 9.122 1.864
194 HN1 NH2 27 HN1 NH2 27 5.581 8.336 1.793
195 HN2 NH2 27 HN2 NH2 27 6.858 9.434 1.426
Start of MODEL 11
1 H1 THR 1 1HT THR 1 -2.683 -5.835 3.663
2 H2 THR 1 2HT THR 1 -3.517 -7.318 3.652
3 H3 THR 1 3HT THR 1 -4.374 -5.875 3.602
4 HA THR 1 HA THR 1 -2.525 -6.864 1.544
5 HB THR 1 HB THR 1 -5.553 -6.702 1.434
6 HG1 THR 1 1HG THR 1 -4.097 -9.123 1.669
7 HG21 THR 1 1HG2 THR 1 -5.265 -8.197 -0.500
8 HG22 THR 1 2HG2 THR 1 -3.516 -8.148 -0.278
9 HG23 THR 1 3HG2 THR 1 -4.386 -6.686 -0.737
10 H CYS 2 H CYS 2 -5.260 -4.564 2.177
11 HA CYS 2 HA CYS 2 -3.948 -2.748 0.315
12 HB2 CYS 2 2HB CYS 2 -6.814 -2.822 1.256
13 HB3 CYS 2 1HB CYS 2 -6.139 -1.627 0.158
14 H VAL 3 H VAL 3 -2.750 -1.350 1.268
15 HA VAL 3 HA VAL 3 -3.516 -0.287 3.880
16 HB VAL 3 HB VAL 3 -1.284 0.767 3.938
17 HG11 VAL 3 1HG1 VAL 3 0.102 -1.239 4.105
18 HG12 VAL 3 2HG1 VAL 3 -1.136 -2.155 3.248
19 HG13 VAL 3 3HG1 VAL 3 -1.487 -1.474 4.835
20 HG21 VAL 3 1HG2 VAL 3 -0.861 -0.536 1.253
21 HG22 VAL 3 2HG2 VAL 3 0.395 0.250 2.208
22 HG23 VAL 3 3HG2 VAL 3 -0.958 1.195 1.580
23 H GLU 4 H GLU 4 -3.343 2.127 4.080
24 HA GLU 4 HA GLU 4 -3.974 3.399 1.535
25 HB2 GLU 4 2HB GLU 4 -6.007 2.703 2.913
26 HB3 GLU 4 1HB GLU 4 -5.502 3.911 4.078
27 HG2 GLU 4 2HG GLU 4 -5.885 5.665 2.544
28 HG3 GLU 4 1HG GLU 4 -6.117 4.534 1.205
29 H CYS 5 H CYS 5 -2.736 5.092 1.248
30 HA CYS 5 HA CYS 5 -1.661 6.485 3.587
31 HB2 CYS 5 2HB CYS 5 0.014 4.863 2.701
32 HB3 CYS 5 1HB CYS 5 -0.074 5.662 1.138
33 H DAL 6 H DAL 6 -2.287 8.495 3.435
34 HA DAL 6 HA DAL 6 -1.704 10.184 1.301
35 HB1 DAL 6 1HB DAL 6 -2.021 10.969 3.614
36 HB2 DAL 6 2HB DAL 6 -3.760 10.735 3.446
37 HB3 DAL 6 3HB DAL 6 -2.928 11.918 2.441
38 HA DPR 7 HA DPR 7 -6.238 9.933 -0.299
39 HB2 DPR 7 1HB DPR 7 -7.458 7.515 0.772
40 HB3 DPR 7 2HB DPR 7 -8.040 9.181 0.848
41 HG2 DPR 7 1HG DPR 7 -7.177 7.840 3.030
42 HG3 DPR 7 2HG DPR 7 -7.003 9.595 2.850
43 HD2 DPR 7 1HD DPR 7 -4.964 7.445 2.405
44 HD3 DPR 7 2HD DPR 7 -4.802 9.004 3.231
45 H VAL 8 H VAL 8 -3.869 7.632 -0.263
46 HA VAL 8 HA VAL 8 -4.854 6.489 -2.773
47 HB VAL 8 HB VAL 8 -2.018 6.567 -1.703
48 HG11 VAL 8 1HG1 VAL 8 -1.364 5.989 -4.002
49 HG12 VAL 8 2HG1 VAL 8 -3.062 5.896 -4.449
50 HG13 VAL 8 3HG1 VAL 8 -2.398 4.751 -3.283
51 HG21 VAL 8 1HG2 VAL 8 -1.601 8.358 -3.308
52 HG22 VAL 8 2HG2 VAL 8 -2.845 8.825 -2.147
53 HG23 VAL 8 3HG2 VAL 8 -3.300 8.336 -3.780
54 H LYS 9 H LYS 9 -5.563 4.471 -2.674
55 HA LYS 9 HA LYS 9 -4.828 2.784 -0.421
56 HB2 LYS 9 2HB LYS 9 -6.710 2.205 -2.719
57 HB3 LYS 9 1HB LYS 9 -6.525 1.253 -1.257
58 HG2 LYS 9 2HG LYS 9 -7.408 3.131 0.065
59 HG3 LYS 9 1HG LYS 9 -7.616 4.065 -1.418
60 HD2 LYS 9 2HD LYS 9 -9.742 3.127 -0.899
61 HD3 LYS 9 1HD LYS 9 -9.093 2.198 -2.249
62 HE2 LYS 9 2HE LYS 9 -10.037 0.641 -0.717
63 HE3 LYS 9 1HE LYS 9 -8.291 0.500 -0.563
64 HZ1 LYS 9 1HZ LYS 9 -9.111 0.567 1.635
65 HZ2 LYS 9 2HZ LYS 9 -10.228 1.733 1.238
66 HZ3 LYS 9 3HZ LYS 9 -8.650 2.198 1.402
67 H VAL 10 H VAL 10 -3.362 1.234 -0.580
68 HA VAL 10 HA VAL 10 -2.343 0.523 -3.244
69 HB VAL 10 HB VAL 10 -0.818 0.709 -0.623
70 HG11 VAL 10 1HG1 VAL 10 0.007 -1.131 -1.980
71 HG12 VAL 10 2HG1 VAL 10 1.168 0.198 -1.931
72 HG13 VAL 10 3HG1 VAL 10 0.169 -0.047 -3.365
73 HG21 VAL 10 1HG2 VAL 10 0.443 2.503 -1.728
74 HG22 VAL 10 2HG2 VAL 10 -1.268 2.901 -1.575
75 HG23 VAL 10 3HG2 VAL 10 -0.620 2.378 -3.129
76 H CYS 11 H CYS 11 -2.709 -1.542 -3.725
77 HA CYS 11 HA CYS 11 -3.219 -3.389 -1.505
78 HB2 CYS 11 2HB CYS 11 -4.417 -3.386 -4.277
79 HB3 CYS 11 1HB CYS 11 -4.678 -4.641 -3.072
80 H ARG 12 H ARG 12 -1.627 -4.725 -1.216
81 HA ARG 12 HA ARG 12 -0.423 -6.048 -3.522
82 HB2 ARG 12 2HB ARG 12 1.078 -4.908 -1.137
83 HB3 ARG 12 1HB ARG 12 1.792 -5.978 -2.321
84 HG2 ARG 12 2HG ARG 12 0.740 -3.195 -2.846
85 HG3 ARG 12 1HG ARG 12 2.436 -3.661 -2.719
86 HD2 ARG 12 2HD ARG 12 2.088 -5.182 -4.667
87 HD3 ARG 12 1HD ARG 12 0.456 -4.533 -4.816
88 HE ARG 12 HE ARG 12 2.179 -2.374 -4.827
89 HH11 ARG 12 1HH1 ARG 12 1.291 -5.064 -6.895
90 HH12 ARG 12 2HH1 ARG 12 2.017 -4.441 -8.289
91 HH21 ARG 12 1HH2 ARG 12 3.250 -1.492 -6.741
92 HH22 ARG 12 2HH2 ARG 12 3.114 -2.325 -8.216
93 HA PRO 13 HA PRO 13 -1.394 -9.738 -1.334
94 HB2 PRO 13 2HB PRO 13 1.409 -10.699 -1.535
95 HB3 PRO 13 1HB PRO 13 -0.080 -11.456 -2.095
96 HG2 PRO 13 2HG PRO 13 1.586 -10.333 -3.834
97 HG3 PRO 13 1HG PRO 13 -0.169 -10.197 -4.031
98 HD2 PRO 13 2HD PRO 13 1.784 -8.172 -3.017
99 HD3 PRO 13 1HD PRO 13 0.375 -7.948 -4.074
100 H ASP 14 H ASP 14 1.931 -8.905 -0.327
101 HA ASP 14 HA ASP 14 1.126 -9.492 2.416
102 HB2 ASP 14 2HB ASP 14 3.869 -9.051 1.222
103 HB3 ASP 14 1HB ASP 14 3.587 -9.144 2.951
104 HA PRO 15 HA PRO 15 0.618 -5.314 3.599
105 HB2 PRO 15 2HB PRO 15 1.629 -5.403 6.158
106 HB3 PRO 15 1HB PRO 15 0.033 -6.014 5.720
107 HG2 PRO 15 2HG PRO 15 2.601 -7.520 6.032
108 HG3 PRO 15 1HG PRO 15 0.987 -7.931 6.640
109 HD2 PRO 15 2HD PRO 15 1.943 -9.093 4.454
110 HD3 PRO 15 1HD PRO 15 0.238 -8.606 4.539
111 H GLU 16 H GLU 16 3.718 -6.859 4.008
112 HA GLU 16 HA GLU 16 5.307 -4.630 4.564
113 HB2 GLU 16 2HB GLU 16 5.863 -7.092 4.779
114 HB3 GLU 16 1HB GLU 16 6.124 -7.093 3.040
115 HG2 GLU 16 2HG GLU 16 8.210 -6.890 4.115
116 HG3 GLU 16 1HG GLU 16 7.824 -5.333 3.360
117 H GLU 17 H GLU 17 4.631 -6.318 1.487
118 HA GLU 17 HA GLU 17 6.004 -4.467 -0.151
119 HB2 GLU 17 2HB GLU 17 3.905 -6.531 -0.781
120 HB3 GLU 17 1HB GLU 17 4.499 -5.437 -2.015
121 HG2 GLU 17 2HG GLU 17 5.631 -7.558 -2.158
122 HG3 GLU 17 1HG GLU 17 6.760 -6.301 -1.680
123 H ALA 18 H ALA 18 2.736 -4.661 0.985
124 HA ALA 18 HA ALA 18 1.638 -2.643 -0.635
125 HB1 ALA 18 1HB ALA 18 0.268 -4.205 0.690
126 HB2 ALA 18 2HB ALA 18 -0.158 -2.528 1.016
127 HB3 ALA 18 3HB ALA 18 0.829 -3.427 2.171
128 H ARG 19 H ARG 19 3.080 -2.552 2.579
129 HA ARG 19 HA ARG 19 2.917 0.203 3.030
130 HB2 ARG 19 2HB ARG 19 3.474 -1.417 4.784
131 HB3 ARG 19 1HB ARG 19 4.998 -1.770 3.978
132 HG2 ARG 19 2HG ARG 19 5.639 0.602 4.273
133 HG3 ARG 19 1HG ARG 19 4.170 0.830 5.218
134 HD2 ARG 19 2HD ARG 19 6.068 0.491 6.667
135 HD3 ARG 19 1HD ARG 19 4.944 -0.858 6.803
136 HE ARG 19 HE ARG 19 6.493 -2.226 5.661
137 HH11 ARG 19 1HH1 ARG 19 7.853 1.040 5.793
138 HH12 ARG 19 2HH1 ARG 19 9.436 0.505 6.106
139 HH21 ARG 19 1HH2 ARG 19 8.592 -2.925 5.971
140 HH22 ARG 19 2HH2 ARG 19 9.908 -1.847 6.201
141 H ARG 20 H ARG 20 5.441 -1.791 1.591
142 HA ARG 20 HA ARG 20 7.472 0.037 1.210
143 HB2 ARG 20 2HB ARG 20 7.438 -2.472 0.742
144 HB3 ARG 20 1HB ARG 20 6.720 -2.072 -0.809
145 HG2 ARG 20 2HG ARG 20 9.034 -2.371 -1.185
146 HG3 ARG 20 1HG ARG 20 8.740 -0.629 -1.234
147 HD2 ARG 20 2HD ARG 20 10.743 -1.134 0.063
148 HD3 ARG 20 1HD ARG 20 9.495 -0.431 1.088
149 HE ARG 20 HE ARG 20 9.398 -3.280 1.041
150 HH11 ARG 20 1HH1 ARG 20 10.990 -0.539 2.592
151 HH12 ARG 20 2HH1 ARG 20 11.495 -1.406 3.957
152 HH21 ARG 20 1HH2 ARG 20 10.088 -4.502 2.916
153 HH22 ARG 20 2HH2 ARG 20 10.974 -3.719 4.141
154 H GLU 21 H GLU 21 4.900 -0.844 -1.043
155 HA GLU 21 HA GLU 21 5.524 1.055 -3.040
156 HB2 GLU 21 2HB GLU 21 2.989 -0.446 -2.440
157 HB3 GLU 21 1HB GLU 21 3.270 0.486 -3.909
158 HG2 GLU 21 2HG GLU 21 4.931 -1.846 -3.009
159 HG3 GLU 21 1HG GLU 21 3.603 -1.973 -4.148
160 H ALA 22 H ALA 22 3.374 1.123 -0.244
161 HA ALA 22 HA ALA 22 2.024 3.518 -0.885
162 HB1 ALA 22 1HB ALA 22 1.334 3.557 1.445
163 HB2 ALA 22 2HB ALA 22 2.547 2.338 1.840
164 HB3 ALA 22 3HB ALA 22 1.192 1.926 0.788
165 H GLU 23 H GLU 23 4.890 2.889 1.095
166 HA GLU 23 HA GLU 23 5.246 5.646 1.691
167 HB2 GLU 23 2HB GLU 23 7.171 3.342 1.955
168 HB3 GLU 23 1HB GLU 23 7.442 4.957 2.599
169 HG2 GLU 23 2HG GLU 23 5.386 4.698 3.961
170 HG3 GLU 23 1HG GLU 23 5.268 3.037 3.388
171 H GLU 24 H GLU 24 6.119 3.667 -0.939
172 HA GLU 24 HA GLU 24 8.106 5.363 -2.070
173 HB2 GLU 24 2HB GLU 24 7.768 3.022 -2.773
174 HB3 GLU 24 1HB GLU 24 6.175 3.437 -3.382
175 HG2 GLU 24 2HG GLU 24 7.292 5.013 -4.967
176 HG3 GLU 24 1HG GLU 24 8.834 4.341 -4.440
177 H ARG 25 H ARG 25 4.641 5.132 -2.155
178 HA ARG 25 HA ARG 25 4.146 7.151 -4.115
179 HB2 ARG 25 2HB ARG 25 2.541 5.359 -3.688
180 HB3 ARG 25 1HB ARG 25 2.378 5.873 -2.022
181 HG2 ARG 25 2HG ARG 25 0.453 6.561 -3.269
182 HG3 ARG 25 1HG ARG 25 1.379 7.983 -2.803
183 HD2 ARG 25 2HD ARG 25 2.349 8.101 -5.040
184 HD3 ARG 25 1HD ARG 25 1.459 6.648 -5.504
185 HE ARG 25 HE ARG 25 -0.444 8.344 -4.607
186 HH11 ARG 25 1HH1 ARG 25 2.022 8.567 -7.124
187 HH12 ARG 25 2HH1 ARG 25 1.133 9.637 -8.097
188 HH21 ARG 25 1HH2 ARG 25 -1.688 9.827 -5.969
189 HH22 ARG 25 2HH2 ARG 25 -0.998 10.362 -7.420
190 H CYS 26 H CYS 26 4.000 6.992 -0.601
191 HA CYS 26 HA CYS 26 3.528 9.835 -0.390
192 HB2 CYS 26 2HB CYS 26 3.880 7.704 1.726
193 HB3 CYS 26 1HB CYS 26 3.358 9.355 2.027
194 HN1 NH2 27 HN1 NH2 27 5.534 10.459 -1.338
195 HN2 NH2 27 HN2 NH2 27 7.003 10.450 -0.434
Start of MODEL 12
1 H1 THR 1 1HT THR 1 -4.952 -5.749 3.630
2 H2 THR 1 2HT THR 1 -3.342 -6.219 3.360
3 H3 THR 1 3HT THR 1 -4.532 -7.378 3.557
4 HA THR 1 HA THR 1 -3.894 -7.232 1.303
5 HB THR 1 HB THR 1 -6.668 -6.088 1.668
6 HG1 THR 1 1HG THR 1 -5.834 -8.810 1.979
7 HG21 THR 1 1HG2 THR 1 -5.917 -6.477 -0.647
8 HG22 THR 1 2HG2 THR 1 -7.199 -7.599 -0.185
9 HG23 THR 1 3HG2 THR 1 -5.524 -8.148 -0.235
10 H CYS 2 H CYS 2 -5.287 -4.105 2.470
11 HA CYS 2 HA CYS 2 -3.743 -2.807 0.363
12 HB2 CYS 2 2HB CYS 2 -6.542 -2.038 1.224
13 HB3 CYS 2 1HB CYS 2 -5.581 -1.268 -0.028
14 H VAL 3 H VAL 3 -2.617 -1.111 1.092
15 HA VAL 3 HA VAL 3 -3.251 -0.176 3.792
16 HB VAL 3 HB VAL 3 -0.940 0.688 3.957
17 HG11 VAL 3 1HG1 VAL 3 0.260 -1.447 4.124
18 HG12 VAL 3 2HG1 VAL 3 -1.044 -2.232 3.234
19 HG13 VAL 3 3HG1 VAL 3 -1.359 -1.527 4.819
20 HG21 VAL 3 1HG2 VAL 3 -0.462 1.113 1.613
21 HG22 VAL 3 2HG2 VAL 3 -0.517 -0.611 1.264
22 HG23 VAL 3 3HG2 VAL 3 0.770 0.039 2.283
23 H GLU 4 H GLU 4 -3.648 1.986 4.077
24 HA GLU 4 HA GLU 4 -4.006 3.419 1.560
25 HB2 GLU 4 2HB GLU 4 -5.373 3.768 4.221
26 HB3 GLU 4 1HB GLU 4 -5.679 4.732 2.786
27 HG2 GLU 4 2HG GLU 4 -6.527 2.820 1.617
28 HG3 GLU 4 1HG GLU 4 -6.088 1.761 2.956
29 H CYS 5 H CYS 5 -2.586 4.913 1.175
30 HA CYS 5 HA CYS 5 -1.482 6.338 3.448
31 HB2 CYS 5 2HB CYS 5 0.453 6.886 1.898
32 HB3 CYS 5 1HB CYS 5 0.337 5.211 2.408
33 H DAL 6 H DAL 6 -2.765 8.003 3.682
34 HA DAL 6 HA DAL 6 -2.472 10.213 2.040
35 HB1 DAL 6 1HB DAL 6 -4.087 11.347 3.414
36 HB2 DAL 6 2HB DAL 6 -3.040 10.352 4.423
37 HB3 DAL 6 3HB DAL 6 -4.677 9.815 4.054
38 HA DPR 7 HA DPR 7 -6.594 9.541 -0.136
39 HB2 DPR 7 1HB DPR 7 -8.255 7.519 0.348
40 HB3 DPR 7 2HB DPR 7 -8.158 8.889 1.461
41 HG2 DPR 7 1HG DPR 7 -6.955 6.160 1.685
42 HG3 DPR 7 2HG DPR 7 -7.723 7.150 2.939
43 HD2 DPR 7 1HD DPR 7 -4.976 6.936 2.528
44 HD3 DPR 7 2HD DPR 7 -5.789 8.246 3.405
45 H VAL 8 H VAL 8 -4.063 7.551 -0.209
46 HA VAL 8 HA VAL 8 -4.968 6.281 -2.679
47 HB VAL 8 HB VAL 8 -2.142 6.610 -1.615
48 HG11 VAL 8 1HG1 VAL 8 -1.432 6.019 -3.889
49 HG12 VAL 8 2HG1 VAL 8 -3.116 5.761 -4.344
50 HG13 VAL 8 3HG1 VAL 8 -2.359 4.719 -3.138
51 HG21 VAL 8 1HG2 VAL 8 -1.885 8.369 -3.323
52 HG22 VAL 8 2HG2 VAL 8 -3.106 8.787 -2.123
53 HG23 VAL 8 3HG2 VAL 8 -3.596 8.220 -3.719
54 H LYS 9 H LYS 9 -5.647 4.226 -2.476
55 HA LYS 9 HA LYS 9 -4.528 2.717 -0.274
56 HB2 LYS 9 2HB LYS 9 -6.330 1.096 -0.628
57 HB3 LYS 9 1HB LYS 9 -6.965 2.710 -0.370
58 HG2 LYS 9 2HG LYS 9 -7.436 2.936 -2.720
59 HG3 LYS 9 1HG LYS 9 -6.692 1.369 -3.046
60 HD2 LYS 9 2HD LYS 9 -8.372 0.297 -1.602
61 HD3 LYS 9 1HD LYS 9 -9.119 1.878 -1.345
62 HE2 LYS 9 2HE LYS 9 -9.589 2.070 -3.700
63 HE3 LYS 9 1HE LYS 9 -8.780 0.534 -4.009
64 HZ1 LYS 9 1HZ LYS 9 -10.458 -0.587 -2.716
65 HZ2 LYS 9 2HZ LYS 9 -11.191 0.339 -3.932
66 HZ3 LYS 9 3HZ LYS 9 -11.203 0.882 -2.342
67 H VAL 10 H VAL 10 -2.923 1.513 -0.603
68 HA VAL 10 HA VAL 10 -2.343 0.576 -3.297
69 HB VAL 10 HB VAL 10 -0.585 0.670 -0.825
70 HG11 VAL 10 1HG1 VAL 10 1.241 0.083 -2.307
71 HG12 VAL 10 2HG1 VAL 10 0.125 -0.067 -3.666
72 HG13 VAL 10 3HG1 VAL 10 0.020 -1.190 -2.306
73 HG21 VAL 10 1HG2 VAL 10 0.618 2.438 -2.028
74 HG22 VAL 10 2HG2 VAL 10 -1.062 2.882 -1.727
75 HG23 VAL 10 3HG2 VAL 10 -0.564 2.349 -3.333
76 H CYS 11 H CYS 11 -3.377 -1.214 -3.619
77 HA CYS 11 HA CYS 11 -3.618 -3.196 -1.538
78 HB2 CYS 11 2HB CYS 11 -4.760 -3.085 -4.324
79 HB3 CYS 11 1HB CYS 11 -5.062 -4.382 -3.169
80 H ARG 12 H ARG 12 -2.174 -4.614 -1.229
81 HA ARG 12 HA ARG 12 -0.973 -6.103 -3.362
82 HB2 ARG 12 2HB ARG 12 0.549 -4.077 -2.923
83 HB3 ARG 12 1HB ARG 12 0.763 -4.708 -1.299
84 HG2 ARG 12 2HG ARG 12 2.653 -5.360 -2.583
85 HG3 ARG 12 1HG ARG 12 1.666 -6.799 -2.313
86 HD2 ARG 12 2HD ARG 12 2.454 -6.683 -4.638
87 HD3 ARG 12 1HD ARG 12 0.695 -6.557 -4.559
88 HE ARG 12 HE ARG 12 2.297 -4.114 -4.620
89 HH11 ARG 12 1HH1 ARG 12 0.195 -6.293 -6.476
90 HH12 ARG 12 2HH1 ARG 12 -0.328 -5.073 -7.537
91 HH21 ARG 12 1HH2 ARG 12 1.575 -2.499 -6.037
92 HH22 ARG 12 2HH2 ARG 12 0.505 -2.836 -7.318
93 HA PRO 13 HA PRO 13 -2.327 -9.019 -0.228
94 HB2 PRO 13 2HB PRO 13 -0.121 -10.567 -1.527
95 HB3 PRO 13 1HB PRO 13 -1.745 -11.102 -1.060
96 HG2 PRO 13 2HG PRO 13 -1.308 -10.535 -3.573
97 HG3 PRO 13 1HG PRO 13 -2.768 -9.908 -2.790
98 HD2 PRO 13 2HD PRO 13 -0.234 -8.463 -3.465
99 HD3 PRO 13 1HD PRO 13 -1.920 -7.914 -3.576
100 H ASP 14 H ASP 14 1.190 -8.798 -0.744
101 HA ASP 14 HA ASP 14 1.716 -9.546 1.981
102 HB2 ASP 14 2HB ASP 14 3.554 -8.531 -0.202
103 HB3 ASP 14 1HB ASP 14 4.120 -8.947 1.412
104 HA PRO 15 HA PRO 15 0.673 -5.504 3.457
105 HB2 PRO 15 2HB PRO 15 1.650 -5.817 6.006
106 HB3 PRO 15 1HB PRO 15 0.086 -6.425 5.458
107 HG2 PRO 15 2HG PRO 15 2.693 -7.872 5.722
108 HG3 PRO 15 1HG PRO 15 1.068 -8.417 6.168
109 HD2 PRO 15 2HD PRO 15 2.245 -9.252 3.927
110 HD3 PRO 15 1HD PRO 15 0.500 -8.918 3.972
111 H GLU 16 H GLU 16 3.928 -6.743 4.058
112 HA GLU 16 HA GLU 16 4.927 -4.127 4.599
113 HB2 GLU 16 2HB GLU 16 6.402 -6.694 4.051
114 HB3 GLU 16 1HB GLU 16 7.127 -5.218 4.664
115 HG2 GLU 16 2HG GLU 16 5.873 -5.336 6.686
116 HG3 GLU 16 1HG GLU 16 4.910 -6.679 6.070
117 H GLU 17 H GLU 17 4.809 -6.248 1.803
118 HA GLU 17 HA GLU 17 6.385 -4.606 0.122
119 HB2 GLU 17 2HB GLU 17 4.258 -6.639 -0.469
120 HB3 GLU 17 1HB GLU 17 5.039 -5.723 -1.747
121 HG2 GLU 17 2HG GLU 17 6.463 -7.471 0.235
122 HG3 GLU 17 1HG GLU 17 6.046 -7.935 -1.414
123 H ALA 18 H ALA 18 2.973 -4.708 0.887
124 HA ALA 18 HA ALA 18 2.049 -2.737 -0.848
125 HB1 ALA 18 1HB ALA 18 1.086 -3.240 1.973
126 HB2 ALA 18 2HB ALA 18 0.611 -4.207 0.592
127 HB3 ALA 18 3HB ALA 18 0.164 -2.501 0.663
128 H ARG 19 H ARG 19 3.207 -2.469 2.474
129 HA ARG 19 HA ARG 19 3.134 0.310 2.811
130 HB2 ARG 19 2HB ARG 19 3.525 -1.226 4.652
131 HB3 ARG 19 1HB ARG 19 5.041 -1.738 3.933
132 HG2 ARG 19 2HG ARG 19 5.907 0.572 4.236
133 HG3 ARG 19 1HG ARG 19 4.417 0.968 5.093
134 HD2 ARG 19 2HD ARG 19 6.316 -1.230 5.868
135 HD3 ARG 19 1HD ARG 19 6.301 0.365 6.609
136 HE ARG 19 HE ARG 19 3.811 -0.360 6.996
137 HH11 ARG 19 1HH1 ARG 19 6.795 -2.231 7.497
138 HH12 ARG 19 2HH1 ARG 19 6.161 -3.200 8.740
139 HH21 ARG 19 1HH2 ARG 19 2.960 -1.659 8.766
140 HH22 ARG 19 2HH2 ARG 19 3.937 -2.877 9.463
141 H ARG 20 H ARG 20 5.752 -1.769 1.719
142 HA ARG 20 HA ARG 20 7.835 -0.006 1.429
143 HB2 ARG 20 2HB ARG 20 7.903 -2.469 1.343
144 HB3 ARG 20 1HB ARG 20 7.163 -2.415 -0.240
145 HG2 ARG 20 2HG ARG 20 9.135 -1.354 -1.153
146 HG3 ARG 20 1HG ARG 20 9.871 -1.302 0.457
147 HD2 ARG 20 2HD ARG 20 9.731 -3.737 0.603
148 HD3 ARG 20 1HD ARG 20 9.010 -3.799 -0.997
149 HE ARG 20 HE ARG 20 11.514 -2.479 -1.026
150 HH11 ARG 20 1HH1 ARG 20 10.013 -5.696 -0.935
151 HH12 ARG 20 2HH1 ARG 20 11.386 -6.486 -1.577
152 HH21 ARG 20 1HH2 ARG 20 13.347 -3.565 -1.903
153 HH22 ARG 20 2HH2 ARG 20 13.317 -5.250 -2.162
154 H GLU 21 H GLU 21 5.461 -0.937 -1.072
155 HA GLU 21 HA GLU 21 6.592 1.017 -2.847
156 HB2 GLU 21 2HB GLU 21 4.787 0.329 -4.421
157 HB3 GLU 21 1HB GLU 21 5.801 -1.001 -3.877
158 HG2 GLU 21 2HG GLU 21 4.042 -1.676 -2.320
159 HG3 GLU 21 1HG GLU 21 3.059 -0.320 -2.870
160 H ALA 22 H ALA 22 4.011 0.933 -0.566
161 HA ALA 22 HA ALA 22 2.545 3.135 -1.568
162 HB1 ALA 22 1HB ALA 22 1.446 3.206 0.589
163 HB2 ALA 22 2HB ALA 22 2.685 2.156 1.276
164 HB3 ALA 22 3HB ALA 22 1.593 1.534 0.039
165 H GLU 23 H GLU 23 4.891 2.948 1.111
166 HA GLU 23 HA GLU 23 4.687 5.711 1.673
167 HB2 GLU 23 2HB GLU 23 6.528 5.410 3.195
168 HB3 GLU 23 1HB GLU 23 5.413 4.064 3.341
169 HG2 GLU 23 2HG GLU 23 6.931 2.688 1.989
170 HG3 GLU 23 1HG GLU 23 8.054 4.045 1.899
171 H GLU 24 H GLU 24 6.578 4.010 -0.613
172 HA GLU 24 HA GLU 24 8.549 6.050 -0.983
173 HB2 GLU 24 2HB GLU 24 8.991 3.721 -1.632
174 HB3 GLU 24 1HB GLU 24 7.708 3.802 -2.830
175 HG2 GLU 24 2HG GLU 24 8.943 5.502 -4.057
176 HG3 GLU 24 1HG GLU 24 10.217 5.462 -2.843
177 H ARG 25 H ARG 25 5.384 5.407 -2.202
178 HA ARG 25 HA ARG 25 5.683 7.539 -4.166
179 HB2 ARG 25 2HB ARG 25 3.581 5.401 -3.882
180 HB3 ARG 25 1HB ARG 25 3.481 6.718 -5.051
181 HG2 ARG 25 2HG ARG 25 5.510 5.989 -6.127
182 HG3 ARG 25 1HG ARG 25 5.752 4.750 -4.899
183 HD2 ARG 25 2HD ARG 25 3.406 4.874 -6.787
184 HD3 ARG 25 1HD ARG 25 4.845 3.876 -7.010
185 HE ARG 25 HE ARG 25 3.889 3.288 -4.512
186 HH11 ARG 25 1HH1 ARG 25 2.769 2.937 -7.863
187 HH12 ARG 25 2HH1 ARG 25 1.753 1.609 -7.513
188 HH21 ARG 25 1HH2 ARG 25 2.463 1.445 -4.081
189 HH22 ARG 25 2HH2 ARG 25 1.612 0.737 -5.364
190 H CYS 26 H CYS 26 3.970 6.741 -1.260
191 HA CYS 26 HA CYS 26 2.561 9.281 -1.354
192 HB2 CYS 26 2HB CYS 26 2.449 6.947 0.562
193 HB3 CYS 26 1HB CYS 26 1.544 8.433 0.805
194 HN1 NH2 27 HN1 NH2 27 4.436 10.575 -1.201
195 HN2 NH2 27 HN2 NH2 27 5.264 10.782 0.301
Start of MODEL 13
1 H1 THR 1 1HT THR 1 -2.747 -7.223 0.506
2 H2 THR 1 2HT THR 1 -4.427 -7.244 0.351
3 H3 THR 1 3HT THR 1 -3.660 -8.301 1.439
4 HA THR 1 HA THR 1 -4.662 -6.524 2.601
5 HB THR 1 HB THR 1 -1.647 -6.211 2.515
6 HG1 THR 1 1HG THR 1 -3.016 -8.001 4.227
7 HG21 THR 1 1HG2 THR 1 -2.822 -4.580 3.938
8 HG22 THR 1 2HG2 THR 1 -1.910 -5.725 4.923
9 HG23 THR 1 3HG2 THR 1 -3.655 -5.897 4.761
10 H CYS 2 H CYS 2 -5.451 -4.506 2.351
11 HA CYS 2 HA CYS 2 -4.142 -2.743 0.421
12 HB2 CYS 2 2HB CYS 2 -6.939 -2.665 1.571
13 HB3 CYS 2 1HB CYS 2 -6.283 -1.489 0.442
14 H VAL 3 H VAL 3 -2.814 -1.377 1.293
15 HA VAL 3 HA VAL 3 -3.483 -0.273 3.920
16 HB VAL 3 HB VAL 3 -1.102 0.331 4.183
17 HG11 VAL 3 1HG1 VAL 3 -1.821 -1.808 5.076
18 HG12 VAL 3 2HG1 VAL 3 -0.166 -1.919 4.478
19 HG13 VAL 3 3HG1 VAL 3 -1.493 -2.585 3.528
20 HG21 VAL 3 1HG2 VAL 3 -0.714 -1.104 1.564
21 HG22 VAL 3 2HG2 VAL 3 0.584 -0.553 2.622
22 HG23 VAL 3 3HG2 VAL 3 -0.492 0.621 1.859
23 H GLU 4 H GLU 4 -3.075 2.011 4.186
24 HA GLU 4 HA GLU 4 -3.283 3.448 1.646
25 HB2 GLU 4 2HB GLU 4 -5.496 2.960 2.609
26 HB3 GLU 4 1HB GLU 4 -5.028 3.817 4.066
27 HG2 GLU 4 2HG GLU 4 -4.734 5.855 2.709
28 HG3 GLU 4 1HG GLU 4 -5.358 4.965 1.318
29 H CYS 5 H CYS 5 -2.165 5.308 1.604
30 HA CYS 5 HA CYS 5 -1.580 6.759 4.017
31 HB2 CYS 5 2HB CYS 5 0.288 5.082 3.844
32 HB3 CYS 5 1HB CYS 5 0.726 5.775 2.295
33 H DAL 6 H DAL 6 -1.704 8.845 3.565
34 HA DAL 6 HA DAL 6 -0.615 10.184 1.421
35 HB1 DAL 6 1HB DAL 6 -2.925 11.127 3.097
36 HB2 DAL 6 2HB DAL 6 -1.822 12.125 2.149
37 HB3 DAL 6 3HB DAL 6 -1.221 11.225 3.543
38 HA DPR 7 HA DPR 7 -4.766 10.242 -0.963
39 HB2 DPR 7 1HB DPR 7 -6.680 8.420 -0.376
40 HB3 DPR 7 2HB DPR 7 -6.620 10.030 0.349
41 HG2 DPR 7 1HG DPR 7 -5.764 7.409 1.472
42 HG3 DPR 7 2HG DPR 7 -6.583 8.762 2.269
43 HD2 DPR 7 1HD DPR 7 -3.916 8.262 2.511
44 HD3 DPR 7 2HD DPR 7 -4.640 9.872 2.669
45 H VAL 8 H VAL 8 -2.795 7.653 -0.214
46 HA VAL 8 HA VAL 8 -3.414 6.423 -2.782
47 HB VAL 8 HB VAL 8 -0.834 6.261 -1.206
48 HG11 VAL 8 1HG1 VAL 8 -1.489 5.394 -4.016
49 HG12 VAL 8 2HG1 VAL 8 -1.211 4.335 -2.637
50 HG13 VAL 8 3HG1 VAL 8 0.106 5.322 -3.270
51 HG21 VAL 8 1HG2 VAL 8 0.104 7.770 -2.901
52 HG22 VAL 8 2HG2 VAL 8 -1.210 8.535 -2.008
53 HG23 VAL 8 3HG2 VAL 8 -1.491 7.927 -3.638
54 H LYS 9 H LYS 9 -4.193 4.450 -2.785
55 HA LYS 9 HA LYS 9 -4.009 2.799 -0.356
56 HB2 LYS 9 2HB LYS 9 -6.277 3.622 -0.839
57 HB3 LYS 9 1HB LYS 9 -6.175 2.955 -2.458
58 HG2 LYS 9 2HG LYS 9 -5.948 0.691 -1.421
59 HG3 LYS 9 1HG LYS 9 -6.288 1.443 0.141
60 HD2 LYS 9 2HD LYS 9 -8.412 2.300 -0.758
61 HD3 LYS 9 1HD LYS 9 -8.077 1.491 -2.287
62 HE2 LYS 9 2HE LYS 9 -8.016 -0.666 -1.051
63 HE3 LYS 9 1HE LYS 9 -8.516 0.200 0.399
64 HZ1 LYS 9 1HZ LYS 9 -10.037 -0.017 -2.132
65 HZ2 LYS 9 2HZ LYS 9 -10.535 0.907 -0.829
66 HZ3 LYS 9 3HZ LYS 9 -10.418 -0.771 -0.685
67 H VAL 10 H VAL 10 -2.626 1.165 -0.756
68 HA VAL 10 HA VAL 10 -2.571 0.041 -3.476
69 HB VAL 10 HB VAL 10 -0.260 0.110 -1.492
70 HG11 VAL 10 1HG1 VAL 10 -0.222 -1.948 -2.808
71 HG12 VAL 10 2HG1 VAL 10 1.087 -0.877 -3.308
72 HG13 VAL 10 3HG1 VAL 10 -0.363 -1.014 -4.295
73 HG21 VAL 10 1HG2 VAL 10 -0.620 1.525 -4.136
74 HG22 VAL 10 2HG2 VAL 10 0.839 1.555 -3.147
75 HG23 VAL 10 3HG2 VAL 10 -0.653 2.273 -2.539
76 H CYS 11 H CYS 11 -2.876 -2.095 -3.702
77 HA CYS 11 HA CYS 11 -3.317 -3.624 -1.244
78 HB2 CYS 11 2HB CYS 11 -4.724 -3.907 -3.907
79 HB3 CYS 11 1HB CYS 11 -5.030 -4.877 -2.468
80 H ARG 12 H ARG 12 -1.764 -5.009 -0.964
81 HA ARG 12 HA ARG 12 -0.826 -6.626 -3.208
82 HB2 ARG 12 2HB ARG 12 0.747 -4.628 -2.671
83 HB3 ARG 12 1HB ARG 12 1.060 -5.440 -1.149
84 HG2 ARG 12 2HG ARG 12 2.845 -5.918 -2.648
85 HG3 ARG 12 1HG ARG 12 1.901 -7.393 -2.430
86 HD2 ARG 12 2HD ARG 12 2.472 -7.100 -4.777
87 HD3 ARG 12 1HD ARG 12 0.735 -6.937 -4.559
88 HE ARG 12 HE ARG 12 2.321 -4.483 -4.564
89 HH11 ARG 12 1HH1 ARG 12 0.202 -6.638 -6.421
90 HH12 ARG 12 2HH1 ARG 12 -0.117 -5.489 -7.629
91 HH21 ARG 12 1HH2 ARG 12 1.902 -2.946 -6.209
92 HH22 ARG 12 2HH2 ARG 12 0.838 -3.319 -7.492
93 HA PRO 13 HA PRO 13 -1.743 -9.909 -0.268
94 HB2 PRO 13 2HB PRO 13 0.807 -11.067 -1.312
95 HB3 PRO 13 1HB PRO 13 -0.767 -11.847 -1.075
96 HG2 PRO 13 2HG PRO 13 -0.042 -11.146 -3.499
97 HG3 PRO 13 1HG PRO 13 -1.695 -10.814 -2.951
98 HD2 PRO 13 2HD PRO 13 0.609 -8.934 -3.248
99 HD3 PRO 13 1HD PRO 13 -1.116 -8.682 -3.592
100 H ASP 14 H ASP 14 1.641 -8.882 -0.436
101 HA ASP 14 HA ASP 14 1.967 -9.525 2.379
102 HB2 ASP 14 2HB ASP 14 3.922 -8.503 0.312
103 HB3 ASP 14 1HB ASP 14 4.320 -8.626 2.017
104 HA PRO 15 HA PRO 15 0.619 -5.384 3.437
105 HB2 PRO 15 2HB PRO 15 1.594 -5.476 6.038
106 HB3 PRO 15 1HB PRO 15 0.008 -6.069 5.547
107 HG2 PRO 15 2HG PRO 15 2.541 -7.579 5.997
108 HG3 PRO 15 1HG PRO 15 0.878 -8.038 6.400
109 HD2 PRO 15 2HD PRO 15 2.160 -9.067 4.302
110 HD3 PRO 15 1HD PRO 15 0.416 -8.723 4.232
111 H GLU 16 H GLU 16 3.750 -6.700 4.076
112 HA GLU 16 HA GLU 16 5.216 -4.371 4.630
113 HB2 GLU 16 2HB GLU 16 6.158 -6.878 3.245
114 HB3 GLU 16 1HB GLU 16 7.166 -5.705 4.076
115 HG2 GLU 16 2HG GLU 16 6.112 -6.284 6.193
116 HG3 GLU 16 1HG GLU 16 5.073 -7.437 5.361
117 H GLU 17 H GLU 17 4.875 -6.223 1.616
118 HA GLU 17 HA GLU 17 6.278 -4.349 0.049
119 HB2 GLU 17 2HB GLU 17 4.368 -6.512 -0.821
120 HB3 GLU 17 1HB GLU 17 5.474 -5.643 -1.876
121 HG2 GLU 17 2HG GLU 17 7.349 -6.501 -0.452
122 HG3 GLU 17 1HG GLU 17 6.167 -7.535 0.347
123 H ALA 18 H ALA 18 2.913 -4.769 0.847
124 HA ALA 18 HA ALA 18 1.775 -2.986 -0.989
125 HB1 ALA 18 1HB ALA 18 0.448 -4.506 0.483
126 HB2 ALA 18 2HB ALA 18 -0.104 -2.840 0.543
127 HB3 ALA 18 3HB ALA 18 0.877 -3.485 1.857
128 H ARG 19 H ARG 19 3.032 -2.471 2.287
129 HA ARG 19 HA ARG 19 2.623 0.307 2.347
130 HB2 ARG 19 2HB ARG 19 4.510 -1.452 3.872
131 HB3 ARG 19 1HB ARG 19 4.418 0.282 4.118
132 HG2 ARG 19 2HG ARG 19 2.040 0.026 4.712
133 HG3 ARG 19 1HG ARG 19 2.231 -1.724 4.560
134 HD2 ARG 19 2HD ARG 19 2.433 -0.991 6.883
135 HD3 ARG 19 1HD ARG 19 3.932 -1.713 6.289
136 HE ARG 19 HE ARG 19 4.360 0.902 5.845
137 HH11 ARG 19 1HH1 ARG 19 3.403 -0.872 8.733
138 HH12 ARG 19 2HH1 ARG 19 3.965 0.285 9.839
139 HH21 ARG 19 1HH2 ARG 19 5.125 2.514 7.291
140 HH22 ARG 19 2HH2 ARG 19 5.027 2.284 8.983
141 H ARG 20 H ARG 20 5.319 -1.640 1.281
142 HA ARG 20 HA ARG 20 7.202 0.392 0.998
143 HB2 ARG 20 2HB ARG 20 7.673 -2.046 0.867
144 HB3 ARG 20 1HB ARG 20 6.929 -2.072 -0.722
145 HG2 ARG 20 2HG ARG 20 8.637 -0.610 -1.590
146 HG3 ARG 20 1HG ARG 20 9.369 -0.463 0.011
147 HD2 ARG 20 2HD ARG 20 10.617 -2.074 -1.269
148 HD3 ARG 20 1HD ARG 20 9.729 -2.907 0.006
149 HE ARG 20 HE ARG 20 8.689 -2.758 -2.718
150 HH11 ARG 20 1HH1 ARG 20 9.591 -4.703 0.113
151 HH12 ARG 20 2HH1 ARG 20 9.209 -6.174 -0.612
152 HH21 ARG 20 1HH2 ARG 20 8.064 -4.800 -3.665
153 HH22 ARG 20 2HH2 ARG 20 8.229 -6.241 -2.778
154 H GLU 21 H GLU 21 4.610 -0.591 -1.108
155 HA GLU 21 HA GLU 21 5.377 1.282 -3.170
156 HB2 GLU 21 2HB GLU 21 2.967 -0.486 -2.813
157 HB3 GLU 21 1HB GLU 21 3.200 0.554 -4.218
158 HG2 GLU 21 2HG GLU 21 5.211 -0.676 -4.804
159 HG3 GLU 21 1HG GLU 21 5.051 -1.654 -3.349
160 H ALA 22 H ALA 22 2.798 0.983 -0.749
161 HA ALA 22 HA ALA 22 1.388 3.304 -1.436
162 HB1 ALA 22 1HB ALA 22 1.525 2.013 1.278
163 HB2 ALA 22 2HB ALA 22 0.459 1.519 -0.037
164 HB3 ALA 22 3HB ALA 22 0.274 3.113 0.697
165 H GLU 23 H GLU 23 3.887 2.866 1.072
166 HA GLU 23 HA GLU 23 3.667 5.534 1.971
167 HB2 GLU 23 2HB GLU 23 5.865 3.512 2.407
168 HB3 GLU 23 1HB GLU 23 5.735 5.049 3.255
169 HG2 GLU 23 2HG GLU 23 3.593 4.352 4.193
170 HG3 GLU 23 1HG GLU 23 3.719 2.816 3.341
171 H GLU 24 H GLU 24 5.431 4.029 -0.542
172 HA GLU 24 HA GLU 24 7.371 6.087 -0.923
173 HB2 GLU 24 2HB GLU 24 7.757 3.831 -1.718
174 HB3 GLU 24 1HB GLU 24 6.350 3.923 -2.759
175 HG2 GLU 24 2HG GLU 24 7.428 5.595 -4.125
176 HG3 GLU 24 1HG GLU 24 8.820 5.617 -3.041
177 H ARG 25 H ARG 25 4.182 5.418 -2.129
178 HA ARG 25 HA ARG 25 4.214 7.662 -3.947
179 HB2 ARG 25 2HB ARG 25 2.032 5.783 -3.083
180 HB3 ARG 25 1HB ARG 25 1.821 7.028 -4.314
181 HG2 ARG 25 2HG ARG 25 3.512 5.935 -5.703
182 HG3 ARG 25 1HG ARG 25 3.752 4.715 -4.452
183 HD2 ARG 25 2HD ARG 25 2.317 3.881 -6.244
184 HD3 ARG 25 1HD ARG 25 1.446 3.977 -4.718
185 HE ARG 25 HE ARG 25 0.905 6.349 -5.901
186 HH11 ARG 25 1HH1 ARG 25 0.590 3.014 -7.074
187 HH12 ARG 25 2HH1 ARG 25 -0.808 3.348 -7.991
188 HH21 ARG 25 1HH2 ARG 25 -0.974 6.774 -7.141
189 HH22 ARG 25 2HH2 ARG 25 -1.728 5.530 -8.032
190 H CYS 26 H CYS 26 3.257 6.924 -0.774
191 HA CYS 26 HA CYS 26 1.580 9.099 -0.187
192 HB2 CYS 26 2HB CYS 26 1.751 7.022 1.135
193 HB3 CYS 26 1HB CYS 26 3.384 7.474 1.597
194 HN1 NH2 27 HN1 NH2 27 4.863 8.608 1.109
195 HN2 NH2 27 HN2 NH2 27 5.342 10.260 0.976
Start of MODEL 14
1 H1 THR 1 1HT THR 1 -4.047 -7.127 4.105
2 H2 THR 1 2HT THR 1 -5.235 -6.207 3.371
3 H3 THR 1 3HT THR 1 -3.890 -5.435 4.082
4 HA THR 1 HA THR 1 -2.500 -6.587 2.443
5 HB THR 1 HB THR 1 -3.830 -7.419 0.433
6 HG1 THR 1 1HG THR 1 -5.928 -7.543 0.633
7 HG21 THR 1 1HG2 THR 1 -4.070 -8.869 3.057
8 HG22 THR 1 2HG2 THR 1 -2.665 -8.912 1.985
9 HG23 THR 1 3HG2 THR 1 -4.205 -9.616 1.465
10 H CYS 2 H CYS 2 -5.054 -4.318 2.742
11 HA CYS 2 HA CYS 2 -3.880 -2.789 0.553
12 HB2 CYS 2 2HB CYS 2 -6.727 -2.720 1.576
13 HB3 CYS 2 1HB CYS 2 -6.063 -1.644 0.354
14 H VAL 3 H VAL 3 -2.820 -1.117 1.207
15 HA VAL 3 HA VAL 3 -3.489 0.024 3.814
16 HB VAL 3 HB VAL 3 -1.134 0.933 3.869
17 HG11 VAL 3 1HG1 VAL 3 -0.034 -1.187 4.414
18 HG12 VAL 3 2HG1 VAL 3 -1.343 -2.067 3.625
19 HG13 VAL 3 3HG1 VAL 3 -1.668 -1.120 5.076
20 HG21 VAL 3 1HG2 VAL 3 -0.677 0.891 1.476
21 HG22 VAL 3 2HG2 VAL 3 -0.744 -0.871 1.488
22 HG23 VAL 3 3HG2 VAL 3 0.539 -0.031 2.362
23 H GLU 4 H GLU 4 -3.829 2.182 3.980
24 HA GLU 4 HA GLU 4 -4.014 3.652 1.444
25 HB2 GLU 4 2HB GLU 4 -6.212 2.822 2.279
26 HB3 GLU 4 1HB GLU 4 -5.938 3.695 3.771
27 HG2 GLU 4 2HG GLU 4 -6.046 5.800 2.622
28 HG3 GLU 4 1HG GLU 4 -6.217 4.991 1.064
29 H CYS 5 H CYS 5 -2.455 5.094 1.589
30 HA CYS 5 HA CYS 5 -2.113 6.587 4.110
31 HB2 CYS 5 2HB CYS 5 -0.228 4.987 3.585
32 HB3 CYS 5 1HB CYS 5 0.066 5.916 2.132
33 H DAL 6 H DAL 6 -2.773 8.568 3.783
34 HA DAL 6 HA DAL 6 -1.639 10.330 2.001
35 HB1 DAL 6 1HB DAL 6 -2.771 10.989 4.081
36 HB2 DAL 6 2HB DAL 6 -4.328 10.708 3.304
37 HB3 DAL 6 3HB DAL 6 -3.251 11.962 2.695
38 HA DPR 7 HA DPR 7 -5.185 9.947 -1.144
39 HB2 DPR 7 1HB DPR 7 -6.863 7.658 -0.636
40 HB3 DPR 7 2HB DPR 7 -7.317 9.362 -0.618
41 HG2 DPR 7 1HG DPR 7 -7.277 7.777 1.617
42 HG3 DPR 7 2HG DPR 7 -7.065 9.535 1.650
43 HD2 DPR 7 1HD DPR 7 -4.981 7.383 1.741
44 HD3 DPR 7 2HD DPR 7 -5.103 8.871 2.703
45 H VAL 8 H VAL 8 -2.930 7.838 -0.329
46 HA VAL 8 HA VAL 8 -3.069 6.457 -2.878
47 HB VAL 8 HB VAL 8 -0.820 6.526 -0.841
48 HG11 VAL 8 1HG1 VAL 8 -0.750 4.531 -2.246
49 HG12 VAL 8 2HG1 VAL 8 0.575 5.625 -2.633
50 HG13 VAL 8 3HG1 VAL 8 -0.831 5.535 -3.695
51 HG21 VAL 8 1HG2 VAL 8 -1.243 8.729 -1.811
52 HG22 VAL 8 2HG2 VAL 8 -1.118 8.034 -3.431
53 HG23 VAL 8 3HG2 VAL 8 0.292 8.065 -2.373
54 H LYS 9 H LYS 9 -4.132 4.625 -2.824
55 HA LYS 9 HA LYS 9 -3.700 2.888 -0.534
56 HB2 LYS 9 2HB LYS 9 -5.992 3.698 -0.509
57 HB3 LYS 9 1HB LYS 9 -6.207 3.176 -2.172
58 HG2 LYS 9 2HG LYS 9 -6.251 0.916 -1.593
59 HG3 LYS 9 1HG LYS 9 -5.484 1.208 -0.032
60 HD2 LYS 9 2HD LYS 9 -7.873 0.710 0.198
61 HD3 LYS 9 1HD LYS 9 -7.473 2.323 0.771
62 HE2 LYS 9 2HE LYS 9 -8.220 3.185 -1.473
63 HE3 LYS 9 1HE LYS 9 -8.831 1.561 -1.798
64 HZ1 LYS 9 1HZ LYS 9 -9.592 3.311 0.439
65 HZ2 LYS 9 2HZ LYS 9 -10.202 1.758 0.203
66 HZ3 LYS 9 3HZ LYS 9 -10.576 2.987 -0.896
67 H VAL 10 H VAL 10 -2.744 1.171 -0.934
68 HA VAL 10 HA VAL 10 -2.782 0.098 -3.641
69 HB VAL 10 HB VAL 10 -0.378 -0.628 -3.243
70 HG11 VAL 10 1HG1 VAL 10 0.588 1.580 -3.787
71 HG12 VAL 10 2HG1 VAL 10 -0.933 2.346 -3.322
72 HG13 VAL 10 3HG1 VAL 10 -0.878 1.259 -4.709
73 HG21 VAL 10 1HG2 VAL 10 -0.327 -0.374 -0.832
74 HG22 VAL 10 2HG2 VAL 10 -0.603 1.357 -0.993
75 HG23 VAL 10 3HG2 VAL 10 0.904 0.653 -1.568
76 H CYS 11 H CYS 11 -2.680 -2.130 -3.802
77 HA CYS 11 HA CYS 11 -3.115 -3.572 -1.297
78 HB2 CYS 11 2HB CYS 11 -4.531 -3.965 -3.942
79 HB3 CYS 11 1HB CYS 11 -4.709 -5.008 -2.540
80 H ARG 12 H ARG 12 -1.974 -5.412 -1.062
81 HA ARG 12 HA ARG 12 -0.734 -6.727 -3.305
82 HB2 ARG 12 2HB ARG 12 0.734 -4.717 -2.615
83 HB3 ARG 12 1HB ARG 12 0.965 -5.549 -1.094
84 HG2 ARG 12 2HG ARG 12 2.862 -5.908 -2.450
85 HG3 ARG 12 1HG ARG 12 1.984 -7.435 -2.338
86 HD2 ARG 12 2HD ARG 12 2.770 -7.039 -4.599
87 HD3 ARG 12 1HD ARG 12 1.008 -6.995 -4.556
88 HE ARG 12 HE ARG 12 1.503 -4.432 -4.350
89 HH11 ARG 12 1HH1 ARG 12 3.157 -6.747 -6.476
90 HH12 ARG 12 2HH1 ARG 12 3.441 -5.600 -7.695
91 HH21 ARG 12 1HH2 ARG 12 1.910 -2.892 -6.026
92 HH22 ARG 12 2HH2 ARG 12 2.758 -3.369 -7.431
93 HA PRO 13 HA PRO 13 -1.593 -10.260 -0.640
94 HB2 PRO 13 2HB PRO 13 1.236 -10.963 -1.340
95 HB3 PRO 13 1HB PRO 13 -0.189 -12.008 -1.283
96 HG2 PRO 13 2HG PRO 13 0.650 -11.115 -3.611
97 HG3 PRO 13 1HG PRO 13 -1.083 -11.123 -3.241
98 HD2 PRO 13 2HD PRO 13 0.814 -8.834 -3.362
99 HD3 PRO 13 1HD PRO 13 -0.916 -8.892 -3.754
100 H ASP 14 H ASP 14 1.710 -8.939 -0.219
101 HA ASP 14 HA ASP 14 1.400 -9.481 2.646
102 HB2 ASP 14 2HB ASP 14 3.926 -8.842 1.095
103 HB3 ASP 14 1HB ASP 14 3.858 -9.020 2.840
104 HA PRO 15 HA PRO 15 0.526 -5.235 3.565
105 HB2 PRO 15 2HB PRO 15 1.785 -5.194 6.062
106 HB3 PRO 15 1HB PRO 15 0.120 -5.693 5.782
107 HG2 PRO 15 2HG PRO 15 2.573 -7.361 6.084
108 HG3 PRO 15 1HG PRO 15 0.928 -7.668 6.666
109 HD2 PRO 15 2HD PRO 15 1.895 -8.938 4.542
110 HD3 PRO 15 1HD PRO 15 0.199 -8.407 4.580
111 H GLU 16 H GLU 16 3.750 -6.460 4.255
112 HA GLU 16 HA GLU 16 5.044 -3.957 4.282
113 HB2 GLU 16 2HB GLU 16 7.130 -5.303 4.031
114 HB3 GLU 16 1HB GLU 16 6.088 -5.780 5.363
115 HG2 GLU 16 2HG GLU 16 5.337 -7.707 4.217
116 HG3 GLU 16 1HG GLU 16 6.066 -7.168 2.705
117 H GLU 17 H GLU 17 4.353 -6.237 1.725
118 HA GLU 17 HA GLU 17 6.084 -4.963 -0.170
119 HB2 GLU 17 2HB GLU 17 5.256 -7.419 -0.096
120 HB3 GLU 17 1HB GLU 17 3.796 -6.802 -0.844
121 HG2 GLU 17 2HG GLU 17 5.159 -7.638 -2.593
122 HG3 GLU 17 1HG GLU 17 5.261 -5.882 -2.675
123 H ALA 18 H ALA 18 2.754 -4.787 0.842
124 HA ALA 18 HA ALA 18 1.826 -3.047 -1.204
125 HB1 ALA 18 1HB ALA 18 0.845 -3.332 1.649
126 HB2 ALA 18 2HB ALA 18 0.269 -4.285 0.288
127 HB3 ALA 18 3HB ALA 18 -0.028 -2.550 0.334
128 H ARG 19 H ARG 19 3.141 -2.580 2.037
129 HA ARG 19 HA ARG 19 3.051 0.196 2.014
130 HB2 ARG 19 2HB ARG 19 4.808 -1.658 3.569
131 HB3 ARG 19 1HB ARG 19 4.896 0.085 3.750
132 HG2 ARG 19 2HG ARG 19 2.500 0.113 4.358
133 HG3 ARG 19 1HG ARG 19 2.493 -1.650 4.274
134 HD2 ARG 19 2HD ARG 19 2.754 -0.873 6.564
135 HD3 ARG 19 1HD ARG 19 4.189 -1.744 6.019
136 HE ARG 19 HE ARG 19 4.402 1.070 5.614
137 HH11 ARG 19 1HH1 ARG 19 4.642 -1.396 8.134
138 HH12 ARG 19 2HH1 ARG 19 5.801 -0.532 9.055
139 HH21 ARG 19 1HH2 ARG 19 5.976 2.270 6.900
140 HH22 ARG 19 2HH2 ARG 19 6.538 1.567 8.361
141 H ARG 20 H ARG 20 5.387 -1.971 0.663
142 HA ARG 20 HA ARG 20 7.552 -0.360 0.129
143 HB2 ARG 20 2HB ARG 20 7.285 -2.724 -0.606
144 HB3 ARG 20 1HB ARG 20 6.205 -2.175 -1.876
145 HG2 ARG 20 2HG ARG 20 8.149 -0.739 -2.683
146 HG3 ARG 20 1HG ARG 20 9.156 -1.714 -1.612
147 HD2 ARG 20 2HD ARG 20 9.276 -2.731 -3.742
148 HD3 ARG 20 1HD ARG 20 8.198 -3.745 -2.784
149 HE ARG 20 HE ARG 20 6.921 -1.704 -4.404
150 HH11 ARG 20 1HH1 ARG 20 7.535 -5.152 -3.979
151 HH12 ARG 20 2HH1 ARG 20 6.782 -5.612 -5.427
152 HH21 ARG 20 1HH2 ARG 20 5.874 -2.271 -6.274
153 HH22 ARG 20 2HH2 ARG 20 5.742 -3.888 -6.815
154 H GLU 21 H GLU 21 4.490 -0.537 -1.574
155 HA GLU 21 HA GLU 21 5.098 1.489 -3.512
156 HB2 GLU 21 2HB GLU 21 2.486 0.193 -2.745
157 HB3 GLU 21 1HB GLU 21 2.781 1.148 -4.191
158 HG2 GLU 21 2HG GLU 21 4.151 -1.444 -3.534
159 HG3 GLU 21 1HG GLU 21 2.746 -1.286 -4.586
160 H ALA 22 H ALA 22 3.156 1.154 -0.598
161 HA ALA 22 HA ALA 22 1.862 3.629 -0.651
162 HB1 ALA 22 1HB ALA 22 1.213 1.714 0.784
163 HB2 ALA 22 2HB ALA 22 1.253 3.269 1.609
164 HB3 ALA 22 3HB ALA 22 2.567 2.121 1.847
165 H GLU 23 H GLU 23 4.784 2.745 1.208
166 HA GLU 23 HA GLU 23 5.137 5.235 2.460
167 HB2 GLU 23 2HB GLU 23 7.319 3.303 1.664
168 HB3 GLU 23 1HB GLU 23 7.401 4.507 2.935
169 HG2 GLU 23 2HG GLU 23 5.585 2.105 2.925
170 HG3 GLU 23 1HG GLU 23 7.125 2.220 3.764
171 H GLU 24 H GLU 24 6.083 4.029 -0.613
172 HA GLU 24 HA GLU 24 7.958 6.053 -1.284
173 HB2 GLU 24 2HB GLU 24 8.025 3.761 -2.102
174 HB3 GLU 24 1HB GLU 24 6.510 4.006 -2.940
175 HG2 GLU 24 2HG GLU 24 7.550 5.571 -4.438
176 HG3 GLU 24 1HG GLU 24 9.062 5.474 -3.530
177 H ARG 25 H ARG 25 4.532 5.518 -1.949
178 HA ARG 25 HA ARG 25 4.481 7.912 -3.633
179 HB2 ARG 25 2HB ARG 25 2.502 5.682 -3.253
180 HB3 ARG 25 1HB ARG 25 2.179 7.096 -4.257
181 HG2 ARG 25 2HG ARG 25 3.965 6.524 -5.738
182 HG3 ARG 25 1HG ARG 25 4.524 5.255 -4.650
183 HD2 ARG 25 2HD ARG 25 3.324 4.347 -6.570
184 HD3 ARG 25 1HD ARG 25 2.487 3.984 -5.062
185 HE ARG 25 HE ARG 25 1.426 6.334 -6.127
186 HH11 ARG 25 1HH1 ARG 25 1.608 2.941 -7.081
187 HH12 ARG 25 2HH1 ARG 25 0.087 2.911 -7.845
188 HH21 ARG 25 1HH2 ARG 25 -0.618 6.322 -7.145
189 HH22 ARG 25 2HH2 ARG 25 -1.247 4.893 -7.846
190 H CYS 26 H CYS 26 3.881 7.148 -0.460
191 HA CYS 26 HA CYS 26 1.783 9.148 -0.147
192 HB2 CYS 26 2HB CYS 26 1.554 6.991 1.052
193 HB3 CYS 26 1HB CYS 26 3.062 7.313 1.883
194 HN1 NH2 27 HN1 NH2 27 2.759 11.087 -0.386
195 HN2 NH2 27 HN2 NH2 27 4.098 11.639 0.555
Start of MODEL 15
1 H1 THR 1 1HT THR 1 -4.367 -6.964 4.347
2 H2 THR 1 2HT THR 1 -5.536 -6.074 3.548
3 H3 THR 1 3HT THR 1 -4.205 -5.273 4.252
4 HA THR 1 HA THR 1 -2.785 -6.553 2.698
5 HB THR 1 HB THR 1 -4.111 -7.396 0.681
6 HG1 THR 1 1HG THR 1 -6.263 -7.850 1.063
7 HG21 THR 1 1HG2 THR 1 -4.522 -9.564 1.745
8 HG22 THR 1 2HG2 THR 1 -4.435 -8.787 3.329
9 HG23 THR 1 3HG2 THR 1 -2.998 -8.866 2.307
10 H CYS 2 H CYS 2 -5.248 -4.205 2.825
11 HA CYS 2 HA CYS 2 -4.061 -2.855 0.514
12 HB2 CYS 2 2HB CYS 2 -6.835 -2.479 1.657
13 HB3 CYS 2 1HB CYS 2 -6.174 -1.695 0.228
14 H VAL 3 H VAL 3 -2.674 -1.440 1.270
15 HA VAL 3 HA VAL 3 -3.291 -0.218 3.823
16 HB VAL 3 HB VAL 3 -1.068 0.768 3.874
17 HG11 VAL 3 1HG1 VAL 3 0.321 -1.246 3.945
18 HG12 VAL 3 2HG1 VAL 3 -0.959 -2.134 3.119
19 HG13 VAL 3 3HG1 VAL 3 -1.246 -1.463 4.725
20 HG21 VAL 3 1HG2 VAL 3 0.606 0.308 2.125
21 HG22 VAL 3 2HG2 VAL 3 -0.748 1.271 1.529
22 HG23 VAL 3 3HG2 VAL 3 -0.658 -0.449 1.155
23 H GLU 4 H GLU 4 -3.512 1.912 4.144
24 HA GLU 4 HA GLU 4 -4.248 3.440 1.758
25 HB2 GLU 4 2HB GLU 4 -5.626 3.382 4.462
26 HB3 GLU 4 1HB GLU 4 -6.126 4.333 3.065
27 HG2 GLU 4 2HG GLU 4 -6.648 2.350 1.815
28 HG3 GLU 4 1HG GLU 4 -5.964 1.329 3.066
29 H CYS 5 H CYS 5 -2.826 5.026 1.566
30 HA CYS 5 HA CYS 5 -1.878 6.413 3.974
31 HB2 CYS 5 2HB CYS 5 -0.126 4.902 3.169
32 HB3 CYS 5 1HB CYS 5 -0.273 5.565 1.551
33 H DAL 6 H DAL 6 -3.063 8.254 3.748
34 HA DAL 6 HA DAL 6 -2.209 10.234 2.005
35 HB1 DAL 6 1HB DAL 6 -4.861 10.197 3.442
36 HB2 DAL 6 2HB DAL 6 -4.022 11.612 2.813
37 HB3 DAL 6 3HB DAL 6 -3.323 10.696 4.146
38 HA DPR 7 HA DPR 7 -5.796 9.481 -1.026
39 HB2 DPR 7 1HB DPR 7 -7.500 7.453 -0.782
40 HB3 DPR 7 2HB DPR 7 -7.681 8.896 0.229
41 HG2 DPR 7 1HG DPR 7 -6.424 6.257 0.901
42 HG3 DPR 7 2HG DPR 7 -7.597 7.195 1.840
43 HD2 DPR 7 1HD DPR 7 -4.905 7.251 2.292
44 HD3 DPR 7 2HD DPR 7 -5.991 8.608 2.653
45 H VAL 8 H VAL 8 -3.239 7.749 -0.473
46 HA VAL 8 HA VAL 8 -3.418 6.264 -2.939
47 HB VAL 8 HB VAL 8 -1.120 6.425 -0.950
48 HG11 VAL 8 1HG1 VAL 8 0.288 5.652 -2.807
49 HG12 VAL 8 2HG1 VAL 8 -1.142 5.499 -3.825
50 HG13 VAL 8 3HG1 VAL 8 -0.960 4.473 -2.403
51 HG21 VAL 8 1HG2 VAL 8 -1.580 8.014 -3.477
52 HG22 VAL 8 2HG2 VAL 8 -0.116 8.059 -2.494
53 HG23 VAL 8 3HG2 VAL 8 -1.643 8.637 -1.829
54 H LYS 9 H LYS 9 -4.364 4.329 -2.905
55 HA LYS 9 HA LYS 9 -4.006 2.694 -0.509
56 HB2 LYS 9 2HB LYS 9 -6.296 2.604 -2.464
57 HB3 LYS 9 1HB LYS 9 -6.117 1.650 -1.006
58 HG2 LYS 9 2HG LYS 9 -6.155 3.829 0.273
59 HG3 LYS 9 1HG LYS 9 -6.644 4.593 -1.240
60 HD2 LYS 9 2HD LYS 9 -8.570 3.071 -1.367
61 HD3 LYS 9 1HD LYS 9 -8.104 2.368 0.182
62 HE2 LYS 9 2HE LYS 9 -8.234 4.734 1.105
63 HE3 LYS 9 1HE LYS 9 -9.048 5.155 -0.401
64 HZ1 LYS 9 1HZ LYS 9 -9.886 3.220 1.644
65 HZ2 LYS 9 2HZ LYS 9 -10.685 3.353 0.160
66 HZ3 LYS 9 3HZ LYS 9 -10.675 4.652 1.256
67 H VAL 10 H VAL 10 -3.067 0.809 -0.810
68 HA VAL 10 HA VAL 10 -3.115 -0.292 -3.484
69 HB VAL 10 HB VAL 10 -0.945 0.699 -3.440
70 HG11 VAL 10 1HG1 VAL 10 -0.654 0.965 -1.058
71 HG12 VAL 10 2HG1 VAL 10 0.751 0.169 -1.780
72 HG13 VAL 10 3HG1 VAL 10 -0.441 -0.777 -0.887
73 HG21 VAL 10 1HG2 VAL 10 -1.044 -1.484 -4.495
74 HG22 VAL 10 2HG2 VAL 10 -0.703 -2.263 -2.951
75 HG23 VAL 10 3HG2 VAL 10 0.523 -1.254 -3.716
76 H CYS 11 H CYS 11 -3.883 -2.183 -3.550
77 HA CYS 11 HA CYS 11 -3.853 -3.860 -1.179
78 HB2 CYS 11 2HB CYS 11 -5.233 -4.218 -3.845
79 HB3 CYS 11 1HB CYS 11 -5.385 -5.302 -2.469
80 H ARG 12 H ARG 12 -2.444 -5.392 -0.925
81 HA ARG 12 HA ARG 12 -1.063 -6.574 -3.209
82 HB2 ARG 12 2HB ARG 12 0.013 -4.425 -1.981
83 HB3 ARG 12 1HB ARG 12 0.473 -5.664 -0.831
84 HG2 ARG 12 2HG ARG 12 2.294 -5.212 -2.308
85 HG3 ARG 12 1HG ARG 12 1.685 -6.837 -2.624
86 HD2 ARG 12 2HD ARG 12 0.714 -6.201 -4.656
87 HD3 ARG 12 1HD ARG 12 0.714 -4.490 -4.226
88 HE ARG 12 HE ARG 12 2.991 -4.365 -4.656
89 HH11 ARG 12 1HH1 ARG 12 1.611 -7.483 -5.708
90 HH12 ARG 12 2HH1 ARG 12 2.984 -7.940 -6.580
91 HH21 ARG 12 1HH2 ARG 12 4.874 -5.022 -5.910
92 HH22 ARG 12 2HH2 ARG 12 4.886 -6.526 -6.688
93 HA PRO 13 HA PRO 13 -1.949 -10.089 -0.479
94 HB2 PRO 13 2HB PRO 13 0.667 -11.138 -1.442
95 HB3 PRO 13 1HB PRO 13 -0.917 -11.922 -1.441
96 HG2 PRO 13 2HG PRO 13 0.102 -10.987 -3.704
97 HG3 PRO 13 1HG PRO 13 -1.624 -10.787 -3.348
98 HD2 PRO 13 2HD PRO 13 0.594 -8.788 -3.189
99 HD3 PRO 13 1HD PRO 13 -1.084 -8.586 -3.739
100 H ASP 14 H ASP 14 1.323 -8.827 -0.599
101 HA ASP 14 HA ASP 14 1.658 -9.468 2.226
102 HB2 ASP 14 2HB ASP 14 3.714 -8.583 0.180
103 HB3 ASP 14 1HB ASP 14 4.058 -8.853 1.880
104 HA PRO 15 HA PRO 15 0.501 -5.161 2.863
105 HB2 PRO 15 2HB PRO 15 1.108 -5.145 5.558
106 HB3 PRO 15 1HB PRO 15 -0.426 -5.716 4.895
107 HG2 PRO 15 2HG PRO 15 1.986 -7.288 5.705
108 HG3 PRO 15 1HG PRO 15 0.277 -7.647 6.003
109 HD2 PRO 15 2HD PRO 15 1.654 -8.883 4.107
110 HD3 PRO 15 1HD PRO 15 -0.045 -8.428 3.838
111 H GLU 16 H GLU 16 3.439 -6.672 3.860
112 HA GLU 16 HA GLU 16 5.103 -4.497 4.468
113 HB2 GLU 16 2HB GLU 16 5.890 -6.991 2.981
114 HB3 GLU 16 1HB GLU 16 6.931 -5.954 3.937
115 HG2 GLU 16 2HG GLU 16 5.799 -6.625 5.949
116 HG3 GLU 16 1HG GLU 16 4.673 -7.610 5.010
117 H GLU 17 H GLU 17 4.537 -6.242 1.457
118 HA GLU 17 HA GLU 17 6.228 -4.719 -0.211
119 HB2 GLU 17 2HB GLU 17 5.336 -7.036 -0.664
120 HB3 GLU 17 1HB GLU 17 3.776 -6.309 -1.003
121 HG2 GLU 17 2HG GLU 17 4.779 -6.694 -3.092
122 HG3 GLU 17 1HG GLU 17 4.941 -4.965 -2.797
123 H ALA 18 H ALA 18 2.845 -4.576 0.652
124 HA ALA 18 HA ALA 18 1.946 -2.591 -1.105
125 HB1 ALA 18 1HB ALA 18 0.436 -3.989 0.258
126 HB2 ALA 18 2HB ALA 18 0.097 -2.275 0.461
127 HB3 ALA 18 3HB ALA 18 0.989 -3.147 1.705
128 H ARG 19 H ARG 19 3.019 -2.278 2.277
129 HA ARG 19 HA ARG 19 2.951 0.526 2.390
130 HB2 ARG 19 2HB ARG 19 4.719 -1.397 3.893
131 HB3 ARG 19 1HB ARG 19 4.571 0.311 4.265
132 HG2 ARG 19 2HG ARG 19 2.161 -0.061 4.729
133 HG3 ARG 19 1HG ARG 19 2.434 -1.793 4.483
134 HD2 ARG 19 2HD ARG 19 2.531 -1.168 6.868
135 HD3 ARG 19 1HD ARG 19 4.064 -1.821 6.280
136 HE ARG 19 HE ARG 19 3.852 1.031 6.106
137 HH11 ARG 19 1HH1 ARG 19 4.743 -1.595 8.319
138 HH12 ARG 19 2HH1 ARG 19 5.880 -0.683 9.171
139 HH21 ARG 19 1HH2 ARG 19 5.431 2.271 7.228
140 HH22 ARG 19 2HH2 ARG 19 6.270 1.594 8.557
141 H ARG 20 H ARG 20 5.507 -1.695 1.554
142 HA ARG 20 HA ARG 20 7.668 -0.019 1.296
143 HB2 ARG 20 2HB ARG 20 7.708 -2.452 1.261
144 HB3 ARG 20 1HB ARG 20 6.937 -2.451 -0.308
145 HG2 ARG 20 2HG ARG 20 8.916 -1.412 -1.276
146 HG3 ARG 20 1HG ARG 20 9.688 -1.398 0.316
147 HD2 ARG 20 2HD ARG 20 9.448 -3.816 0.448
148 HD3 ARG 20 1HD ARG 20 8.699 -3.840 -1.140
149 HE ARG 20 HE ARG 20 11.415 -2.798 -0.857
150 HH11 ARG 20 1HH1 ARG 20 9.191 -5.267 -2.158
151 HH12 ARG 20 2HH1 ARG 20 10.419 -6.119 -2.961
152 HH21 ARG 20 1HH2 ARG 20 13.074 -3.987 -1.996
153 HH22 ARG 20 2HH2 ARG 20 12.666 -5.382 -2.884
154 H GLU 21 H GLU 21 5.121 -0.665 -1.111
155 HA GLU 21 HA GLU 21 6.460 1.183 -2.882
156 HB2 GLU 21 2HB GLU 21 4.618 0.679 -4.525
157 HB3 GLU 21 1HB GLU 21 5.609 -0.691 -4.071
158 HG2 GLU 21 2HG GLU 21 3.841 -1.468 -2.574
159 HG3 GLU 21 1HG GLU 21 2.855 -0.075 -3.020
160 H ALA 22 H ALA 22 3.617 1.158 -0.857
161 HA ALA 22 HA ALA 22 2.456 3.538 -1.834
162 HB1 ALA 22 1HB ALA 22 1.234 1.908 -0.468
163 HB2 ALA 22 2HB ALA 22 1.118 3.543 0.179
164 HB3 ALA 22 3HB ALA 22 2.202 2.373 0.929
165 H GLU 23 H GLU 23 4.781 2.989 0.797
166 HA GLU 23 HA GLU 23 4.677 5.670 1.721
167 HB2 GLU 23 2HB GLU 23 6.808 3.585 2.198
168 HB3 GLU 23 1HB GLU 23 6.633 5.096 3.082
169 HG2 GLU 23 2HG GLU 23 4.440 4.371 3.882
170 HG3 GLU 23 1HG GLU 23 4.631 2.851 3.016
171 H GLU 24 H GLU 24 6.175 4.288 -0.920
172 HA GLU 24 HA GLU 24 8.269 6.232 -1.248
173 HB2 GLU 24 2HB GLU 24 6.982 4.295 -3.163
174 HB3 GLU 24 1HB GLU 24 8.316 5.354 -3.594
175 HG2 GLU 24 2HG GLU 24 8.417 3.305 -1.401
176 HG3 GLU 24 1HG GLU 24 8.987 3.049 -3.051
177 H ARG 25 H ARG 25 4.923 5.924 -2.063
178 HA ARG 25 HA ARG 25 4.914 8.216 -3.834
179 HB2 ARG 25 2HB ARG 25 2.638 6.602 -2.660
180 HB3 ARG 25 1HB ARG 25 2.447 7.883 -3.846
181 HG2 ARG 25 2HG ARG 25 3.923 5.293 -4.254
182 HG3 ARG 25 1HG ARG 25 2.326 5.697 -4.887
183 HD2 ARG 25 2HD ARG 25 3.307 7.532 -6.178
184 HD3 ARG 25 1HD ARG 25 4.908 7.123 -5.555
185 HE ARG 25 HE ARG 25 3.558 4.968 -6.847
186 HH11 ARG 25 1HH1 ARG 25 5.736 7.721 -7.313
187 HH12 ARG 25 2HH1 ARG 25 6.319 7.199 -8.817
188 HH21 ARG 25 1HH2 ARG 25 4.370 4.226 -8.897
189 HH22 ARG 25 2HH2 ARG 25 5.520 5.144 -9.748
190 H CYS 26 H CYS 26 4.061 7.384 -0.572
191 HA CYS 26 HA CYS 26 3.112 10.003 0.090
192 HB2 CYS 26 2HB CYS 26 3.955 7.726 1.896
193 HB3 CYS 26 1HB CYS 26 3.026 9.140 2.377
194 HN1 NH2 27 HN1 NH2 27 4.789 11.379 -0.451
195 HN2 NH2 27 HN2 NH2 27 6.294 11.443 0.399
Start of MODEL 16
1 H1 THR 1 1HT THR 1 -4.948 -7.365 0.636
2 H2 THR 1 2HT THR 1 -4.064 -8.493 1.520
3 H3 THR 1 3HT THR 1 -3.290 -7.504 0.378
4 HA THR 1 HA THR 1 -4.596 -6.557 2.828
5 HB THR 1 HB THR 1 -1.640 -6.785 2.163
6 HG1 THR 1 1HG THR 1 -1.981 -8.798 2.814
7 HG21 THR 1 1HG2 THR 1 -3.060 -5.972 4.712
8 HG22 THR 1 2HG2 THR 1 -2.180 -4.888 3.634
9 HG23 THR 1 3HG2 THR 1 -1.317 -6.148 4.518
10 H CYS 2 H CYS 2 -5.333 -4.534 2.437
11 HA CYS 2 HA CYS 2 -3.940 -2.937 0.429
12 HB2 CYS 2 2HB CYS 2 -6.717 -2.608 1.572
13 HB3 CYS 2 1HB CYS 2 -6.011 -1.656 0.271
14 H VAL 3 H VAL 3 -3.051 -1.040 0.981
15 HA VAL 3 HA VAL 3 -3.427 -0.171 3.745
16 HB VAL 3 HB VAL 3 -1.147 0.710 3.810
17 HG11 VAL 3 1HG1 VAL 3 -1.482 -1.560 4.559
18 HG12 VAL 3 2HG1 VAL 3 0.119 -1.372 3.842
19 HG13 VAL 3 3HG1 VAL 3 -1.171 -2.165 2.934
20 HG21 VAL 3 1HG2 VAL 3 0.485 0.203 2.017
21 HG22 VAL 3 2HG2 VAL 3 -0.809 1.272 1.480
22 HG23 VAL 3 3HG2 VAL 3 -0.836 -0.431 1.030
23 H GLU 4 H GLU 4 -3.631 2.021 4.086
24 HA GLU 4 HA GLU 4 -4.137 3.627 1.665
25 HB2 GLU 4 2HB GLU 4 -5.622 3.762 4.289
26 HB3 GLU 4 1HB GLU 4 -6.021 4.607 2.804
27 HG2 GLU 4 2HG GLU 4 -6.598 2.526 1.723
28 HG3 GLU 4 1HG GLU 4 -6.084 1.620 3.143
29 H CYS 5 H CYS 5 -2.771 5.316 1.621
30 HA CYS 5 HA CYS 5 -2.183 6.679 4.113
31 HB2 CYS 5 2HB CYS 5 0.213 6.973 3.188
32 HB3 CYS 5 1HB CYS 5 -0.223 5.447 3.943
33 H DAL 6 H DAL 6 -2.946 8.611 3.922
34 HA DAL 6 HA DAL 6 -1.956 10.540 2.248
35 HB1 DAL 6 1HB DAL 6 -4.637 10.669 3.613
36 HB2 DAL 6 2HB DAL 6 -3.660 12.029 3.064
37 HB3 DAL 6 3HB DAL 6 -3.083 11.003 4.376
38 HA DPR 7 HA DPR 7 -5.519 10.290 -0.858
39 HB2 DPR 7 1HB DPR 7 -7.431 8.445 -0.789
40 HB3 DPR 7 2HB DPR 7 -7.473 9.841 0.294
41 HG2 DPR 7 1HG DPR 7 -6.644 7.017 0.853
42 HG3 DPR 7 2HG DPR 7 -7.603 8.116 1.858
43 HD2 DPR 7 1HD DPR 7 -4.885 7.636 2.163
44 HD3 DPR 7 2HD DPR 7 -5.742 9.059 2.779
45 H VAL 8 H VAL 8 -3.424 7.838 -0.182
46 HA VAL 8 HA VAL 8 -3.807 6.620 -2.825
47 HB VAL 8 HB VAL 8 -1.275 6.744 -1.155
48 HG11 VAL 8 1HG1 VAL 8 -1.324 4.822 -2.640
49 HG12 VAL 8 2HG1 VAL 8 -0.134 5.997 -3.196
50 HG13 VAL 8 3HG1 VAL 8 -1.692 5.867 -4.011
51 HG21 VAL 8 1HG2 VAL 8 -0.459 8.396 -2.790
52 HG22 VAL 8 2HG2 VAL 8 -1.874 8.978 -1.911
53 HG23 VAL 8 3HG2 VAL 8 -2.045 8.393 -3.565
54 H LYS 9 H LYS 9 -4.674 4.597 -2.699
55 HA LYS 9 HA LYS 9 -3.800 2.969 -0.467
56 HB2 LYS 9 2HB LYS 9 -5.961 1.858 -0.490
57 HB3 LYS 9 1HB LYS 9 -6.119 3.566 -0.112
58 HG2 LYS 9 2HG LYS 9 -6.832 3.929 -2.471
59 HG3 LYS 9 1HG LYS 9 -6.807 2.178 -2.696
60 HD2 LYS 9 2HD LYS 9 -8.415 1.957 -0.831
61 HD3 LYS 9 1HD LYS 9 -8.481 3.714 -0.716
62 HE2 LYS 9 2HE LYS 9 -9.285 3.794 -3.060
63 HE3 LYS 9 1HE LYS 9 -9.307 2.032 -3.074
64 HZ1 LYS 9 1HZ LYS 9 -10.900 3.782 -1.290
65 HZ2 LYS 9 2HZ LYS 9 -10.884 2.117 -1.207
66 HZ3 LYS 9 3HZ LYS 9 -11.496 2.882 -2.584
67 H VAL 10 H VAL 10 -2.989 1.076 -0.922
68 HA VAL 10 HA VAL 10 -3.271 0.026 -3.641
69 HB VAL 10 HB VAL 10 -1.124 1.248 -3.549
70 HG11 VAL 10 1HG1 VAL 10 -0.624 1.079 -1.207
71 HG12 VAL 10 2HG1 VAL 10 0.728 0.468 -2.164
72 HG13 VAL 10 3HG1 VAL 10 -0.366 -0.658 -1.359
73 HG21 VAL 10 1HG2 VAL 10 -0.776 -1.743 -3.708
74 HG22 VAL 10 2HG2 VAL 10 0.372 -0.556 -4.319
75 HG23 VAL 10 3HG2 VAL 10 -1.241 -0.667 -5.026
76 H CYS 11 H CYS 11 -3.097 -2.252 -3.824
77 HA CYS 11 HA CYS 11 -3.264 -3.661 -1.257
78 HB2 CYS 11 2HB CYS 11 -4.705 -4.323 -3.833
79 HB3 CYS 11 1HB CYS 11 -4.861 -5.175 -2.303
80 H ARG 12 H ARG 12 -1.879 -5.228 -0.938
81 HA ARG 12 HA ARG 12 -0.670 -6.685 -3.146
82 HB2 ARG 12 2HB ARG 12 0.873 -5.246 -0.949
83 HB3 ARG 12 1HB ARG 12 1.568 -6.525 -1.920
84 HG2 ARG 12 2HG ARG 12 0.458 -4.002 -3.129
85 HG3 ARG 12 1HG ARG 12 2.132 -4.155 -2.596
86 HD2 ARG 12 2HD ARG 12 0.832 -6.011 -4.584
87 HD3 ARG 12 1HD ARG 12 1.754 -4.574 -5.031
88 HE ARG 12 HE ARG 12 3.518 -5.818 -3.514
89 HH11 ARG 12 1HH1 ARG 12 1.494 -7.156 -6.117
90 HH12 ARG 12 2HH1 ARG 12 2.648 -8.307 -6.595
91 HH21 ARG 12 1HH2 ARG 12 5.122 -7.443 -4.172
92 HH22 ARG 12 2HH2 ARG 12 4.736 -8.458 -5.478
93 HA PRO 13 HA PRO 13 -1.515 -10.098 -0.465
94 HB2 PRO 13 2HB PRO 13 1.264 -11.098 -0.718
95 HB3 PRO 13 1HB PRO 13 -0.258 -11.890 -1.138
96 HG2 PRO 13 2HG PRO 13 1.368 -10.966 -3.044
97 HG3 PRO 13 1HG PRO 13 -0.392 -10.853 -3.203
98 HD2 PRO 13 2HD PRO 13 1.589 -8.744 -2.462
99 HD3 PRO 13 1HD PRO 13 0.153 -8.624 -3.501
100 H ASP 14 H ASP 14 1.853 -9.143 0.120
101 HA ASP 14 HA ASP 14 1.415 -9.434 2.977
102 HB2 ASP 14 2HB ASP 14 3.924 -8.905 1.380
103 HB3 ASP 14 1HB ASP 14 3.879 -8.859 3.137
104 HA PRO 15 HA PRO 15 0.656 -5.133 3.691
105 HB2 PRO 15 2HB PRO 15 1.802 -4.962 6.216
106 HB3 PRO 15 1HB PRO 15 0.147 -5.483 5.903
107 HG2 PRO 15 2HG PRO 15 2.584 -7.103 6.429
108 HG3 PRO 15 1HG PRO 15 0.915 -7.398 6.932
109 HD2 PRO 15 2HD PRO 15 2.064 -8.757 4.915
110 HD3 PRO 15 1HD PRO 15 0.336 -8.344 4.902
111 H GLU 16 H GLU 16 3.836 -6.485 4.442
112 HA GLU 16 HA GLU 16 5.266 -4.083 4.370
113 HB2 GLU 16 2HB GLU 16 7.278 -5.456 3.853
114 HB3 GLU 16 1HB GLU 16 6.363 -6.053 5.224
115 HG2 GLU 16 2HG GLU 16 5.519 -7.878 3.988
116 HG3 GLU 16 1HG GLU 16 6.055 -7.181 2.462
117 H GLU 17 H GLU 17 4.420 -6.321 1.787
118 HA GLU 17 HA GLU 17 5.784 -5.007 -0.297
119 HB2 GLU 17 2HB GLU 17 3.445 -6.890 -0.251
120 HB3 GLU 17 1HB GLU 17 4.093 -6.241 -1.750
121 HG2 GLU 17 2HG GLU 17 5.729 -7.767 0.251
122 HG3 GLU 17 1HG GLU 17 4.910 -8.508 -1.126
123 H ALA 18 H ALA 18 2.565 -4.688 1.013
124 HA ALA 18 HA ALA 18 1.565 -2.921 -0.942
125 HB1 ALA 18 1HB ALA 18 -0.187 -2.410 0.673
126 HB2 ALA 18 2HB ALA 18 0.760 -3.154 1.958
127 HB3 ALA 18 3HB ALA 18 0.119 -4.146 0.651
128 H ARG 19 H ARG 19 2.908 -2.304 2.291
129 HA ARG 19 HA ARG 19 2.882 0.475 1.940
130 HB2 ARG 19 2HB ARG 19 4.482 -1.183 3.874
131 HB3 ARG 19 1HB ARG 19 4.447 0.575 3.890
132 HG2 ARG 19 2HG ARG 19 1.948 0.406 4.161
133 HG3 ARG 19 1HG ARG 19 2.187 -1.324 4.420
134 HD2 ARG 19 2HD ARG 19 2.075 -0.170 6.549
135 HD3 ARG 19 1HD ARG 19 3.688 -0.824 6.286
136 HE ARG 19 HE ARG 19 3.743 1.772 5.333
137 HH11 ARG 19 1HH1 ARG 19 3.148 0.237 8.469
138 HH12 ARG 19 2HH1 ARG 19 3.779 1.537 9.369
139 HH21 ARG 19 1HH2 ARG 19 4.658 3.507 6.560
140 HH22 ARG 19 2HH2 ARG 19 4.667 3.427 8.267
141 H ARG 20 H ARG 20 5.276 -1.933 1.220
142 HA ARG 20 HA ARG 20 7.574 -0.575 0.750
143 HB2 ARG 20 2HB ARG 20 7.326 -2.952 0.425
144 HB3 ARG 20 1HB ARG 20 6.277 -2.688 -0.954
145 HG2 ARG 20 2HG ARG 20 8.151 -1.701 -2.165
146 HG3 ARG 20 1HG ARG 20 9.202 -2.029 -0.781
147 HD2 ARG 20 2HD ARG 20 8.706 -4.409 -0.966
148 HD3 ARG 20 1HD ARG 20 7.648 -4.086 -2.336
149 HE ARG 20 HE ARG 20 10.024 -3.003 -3.030
150 HH11 ARG 20 1HH1 ARG 20 8.890 -6.244 -2.147
151 HH12 ARG 20 2HH1 ARG 20 10.133 -7.051 -2.988
152 HH21 ARG 20 1HH2 ARG 20 11.733 -4.128 -4.190
153 HH22 ARG 20 2HH2 ARG 20 11.794 -5.822 -4.169
154 H GLU 21 H GLU 21 4.910 -0.853 -1.615
155 HA GLU 21 HA GLU 21 6.254 1.159 -3.179
156 HB2 GLU 21 2HB GLU 21 4.481 0.803 -4.883
157 HB3 GLU 21 1HB GLU 21 5.423 -0.623 -4.501
158 HG2 GLU 21 2HG GLU 21 3.546 -1.405 -3.077
159 HG3 GLU 21 1HG GLU 21 2.612 -0.008 -3.625
160 H ALA 22 H ALA 22 3.593 0.965 -1.004
161 HA ALA 22 HA ALA 22 2.337 3.383 -1.708
162 HB1 ALA 22 1HB ALA 22 2.470 2.187 1.043
163 HB2 ALA 22 2HB ALA 22 1.362 1.651 -0.217
164 HB3 ALA 22 3HB ALA 22 1.246 3.293 0.422
165 H GLU 23 H GLU 23 4.870 2.740 0.736
166 HA GLU 23 HA GLU 23 5.066 5.263 1.921
167 HB2 GLU 23 2HB GLU 23 7.402 3.405 1.386
168 HB3 GLU 23 1HB GLU 23 7.338 4.667 2.591
169 HG2 GLU 23 2HG GLU 23 5.712 2.131 2.595
170 HG3 GLU 23 1HG GLU 23 7.153 2.433 3.550
171 H GLU 24 H GLU 24 6.329 4.092 -1.055
172 HA GLU 24 HA GLU 24 8.314 6.004 -1.613
173 HB2 GLU 24 2HB GLU 24 8.028 3.825 -2.774
174 HB3 GLU 24 1HB GLU 24 6.587 4.457 -3.552
175 HG2 GLU 24 2HG GLU 24 8.385 4.558 -5.108
176 HG3 GLU 24 1HG GLU 24 8.002 6.204 -4.609
177 H ARG 25 H ARG 25 4.845 5.971 -2.153
178 HA ARG 25 HA ARG 25 5.002 8.540 -3.566
179 HB2 ARG 25 2HB ARG 25 2.644 6.676 -3.229
180 HB3 ARG 25 1HB ARG 25 2.669 8.138 -4.203
181 HG2 ARG 25 2HG ARG 25 4.327 5.668 -4.683
182 HG3 ARG 25 1HG ARG 25 2.884 6.136 -5.582
183 HD2 ARG 25 2HD ARG 25 4.036 8.175 -6.339
184 HD3 ARG 25 1HD ARG 25 5.465 7.698 -5.433
185 HE ARG 25 HE ARG 25 5.336 5.623 -6.919
186 HH11 ARG 25 1HH1 ARG 25 4.401 8.885 -8.012
187 HH12 ARG 25 2HH1 ARG 25 4.929 8.630 -9.610
188 HH21 ARG 25 1HH2 ARG 25 6.055 5.323 -9.168
189 HH22 ARG 25 2HH2 ARG 25 5.867 6.596 -10.264
190 H CYS 26 H CYS 26 3.579 6.964 -0.781
191 HA CYS 26 HA CYS 26 2.197 9.276 0.123
192 HB2 CYS 26 2HB CYS 26 2.892 6.700 1.536
193 HB3 CYS 26 1HB CYS 26 1.750 7.903 2.127
194 HN1 NH2 27 HN1 NH2 27 4.523 7.504 2.132
195 HN2 NH2 27 HN2 NH2 27 5.416 8.900 2.601
Start of MODEL 17
1 H1 THR 1 1HT THR 1 -4.081 -7.409 3.912
2 H2 THR 1 2HT THR 1 -4.844 -5.924 3.951
3 H3 THR 1 3HT THR 1 -3.146 -6.021 3.799
4 HA THR 1 HA THR 1 -3.261 -7.020 1.748
5 HB THR 1 HB THR 1 -5.394 -8.260 2.063
6 HG1 THR 1 1HG THR 1 -5.444 -8.441 0.061
7 HG21 THR 1 1HG2 THR 1 -6.729 -5.592 1.571
8 HG22 THR 1 2HG2 THR 1 -6.766 -6.516 3.075
9 HG23 THR 1 3HG2 THR 1 -7.553 -7.150 1.630
10 H CYS 2 H CYS 2 -5.058 -4.157 3.014
11 HA CYS 2 HA CYS 2 -3.914 -2.749 0.730
12 HB2 CYS 2 2HB CYS 2 -6.686 -2.310 1.857
13 HB3 CYS 2 1HB CYS 2 -5.929 -1.330 0.610
14 H VAL 3 H VAL 3 -2.887 -0.960 1.235
15 HA VAL 3 HA VAL 3 -3.235 0.054 3.954
16 HB VAL 3 HB VAL 3 -0.937 1.019 3.797
17 HG11 VAL 3 1HG1 VAL 3 -1.047 -1.949 3.292
18 HG12 VAL 3 2HG1 VAL 3 -1.264 -1.153 4.846
19 HG13 VAL 3 3HG1 VAL 3 0.300 -1.080 4.030
20 HG21 VAL 3 1HG2 VAL 3 0.589 0.276 2.013
21 HG22 VAL 3 2HG2 VAL 3 -0.753 1.222 1.364
22 HG23 VAL 3 3HG2 VAL 3 -0.759 -0.535 1.214
23 H GLU 4 H GLU 4 -3.984 2.037 4.211
24 HA GLU 4 HA GLU 4 -4.561 3.603 1.800
25 HB2 GLU 4 2HB GLU 4 -5.666 3.911 4.588
26 HB3 GLU 4 1HB GLU 4 -6.256 4.672 3.125
27 HG2 GLU 4 2HG GLU 4 -6.359 1.734 3.745
28 HG3 GLU 4 1HG GLU 4 -7.697 2.865 3.895
29 H CYS 5 H CYS 5 -3.171 5.271 1.488
30 HA CYS 5 HA CYS 5 -2.669 7.029 3.691
31 HB2 CYS 5 2HB CYS 5 -0.834 5.382 3.952
32 HB3 CYS 5 1HB CYS 5 -0.288 5.769 2.322
33 H DAL 6 H DAL 6 -2.600 9.029 3.048
34 HA DAL 6 HA DAL 6 -1.414 10.020 0.756
35 HB1 DAL 6 1HB DAL 6 -3.655 11.306 2.299
36 HB2 DAL 6 2HB DAL 6 -2.532 12.115 1.207
37 HB3 DAL 6 3HB DAL 6 -1.939 11.395 2.703
38 HA DPR 7 HA DPR 7 -5.677 10.000 -1.548
39 HB2 DPR 7 1HB DPR 7 -7.513 8.135 -0.799
40 HB3 DPR 7 2HB DPR 7 -7.512 9.790 -0.185
41 HG2 DPR 7 1HG DPR 7 -6.414 7.297 1.071
42 HG3 DPR 7 2HG DPR 7 -7.390 8.582 1.809
43 HD2 DPR 7 1HD DPR 7 -4.725 8.467 2.132
44 HD3 DPR 7 2HD DPR 7 -5.587 10.012 1.998
45 H VAL 8 H VAL 8 -3.623 7.480 -0.674
46 HA VAL 8 HA VAL 8 -4.239 6.054 -3.157
47 HB VAL 8 HB VAL 8 -1.612 6.264 -1.636
48 HG11 VAL 8 1HG1 VAL 8 -2.183 4.891 -4.265
49 HG12 VAL 8 2HG1 VAL 8 -1.813 4.092 -2.740
50 HG13 VAL 8 3HG1 VAL 8 -0.592 5.091 -3.530
51 HG21 VAL 8 1HG2 VAL 8 -0.819 7.532 -3.566
52 HG22 VAL 8 2HG2 VAL 8 -2.206 8.312 -2.795
53 HG23 VAL 8 3HG2 VAL 8 -2.422 7.415 -4.296
54 H LYS 9 H LYS 9 -4.680 3.914 -3.057
55 HA LYS 9 HA LYS 9 -4.300 2.603 -0.495
56 HB2 LYS 9 2HB LYS 9 -6.239 1.192 -1.055
57 HB3 LYS 9 1HB LYS 9 -6.671 2.882 -0.851
58 HG2 LYS 9 2HG LYS 9 -6.820 3.123 -3.284
59 HG3 LYS 9 1HG LYS 9 -6.330 1.443 -3.481
60 HD2 LYS 9 2HD LYS 9 -8.716 1.583 -3.717
61 HD3 LYS 9 1HD LYS 9 -8.345 0.753 -2.210
62 HE2 LYS 9 2HE LYS 9 -10.164 2.320 -1.864
63 HE3 LYS 9 1HE LYS 9 -8.746 2.853 -0.975
64 HZ1 LYS 9 1HZ LYS 9 -9.593 3.925 -3.621
65 HZ2 LYS 9 2HZ LYS 9 -8.307 4.495 -2.664
66 HZ3 LYS 9 3HZ LYS 9 -9.885 4.649 -2.129
67 H VAL 10 H VAL 10 -2.725 1.249 -0.654
68 HA VAL 10 HA VAL 10 -2.225 -0.012 -3.250
69 HB VAL 10 HB VAL 10 -0.375 0.054 -0.838
70 HG11 VAL 10 1HG1 VAL 10 1.331 -0.794 -2.376
71 HG12 VAL 10 2HG1 VAL 10 0.134 -0.869 -3.669
72 HG13 VAL 10 3HG1 VAL 10 -0.030 -1.912 -2.257
73 HG21 VAL 10 1HG2 VAL 10 -0.633 2.276 -1.808
74 HG22 VAL 10 2HG2 VAL 10 -0.271 1.634 -3.409
75 HG23 VAL 10 3HG2 VAL 10 0.973 1.634 -2.160
76 H CYS 11 H CYS 11 -3.263 -1.803 -3.472
77 HA CYS 11 HA CYS 11 -3.653 -3.502 -1.147
78 HB2 CYS 11 2HB CYS 11 -5.043 -3.474 -3.823
79 HB3 CYS 11 1HB CYS 11 -5.356 -4.657 -2.557
80 H ARG 12 H ARG 12 -2.368 -5.070 -0.844
81 HA ARG 12 HA ARG 12 -1.439 -6.758 -2.979
82 HB2 ARG 12 2HB ARG 12 0.183 -4.760 -2.660
83 HB3 ARG 12 1HB ARG 12 0.522 -5.459 -1.088
84 HG2 ARG 12 2HG ARG 12 2.238 -6.114 -2.582
85 HG3 ARG 12 1HG ARG 12 1.247 -7.534 -2.233
86 HD2 ARG 12 2HD ARG 12 1.835 -7.340 -4.629
87 HD3 ARG 12 1HD ARG 12 0.096 -7.294 -4.359
88 HE ARG 12 HE ARG 12 0.130 -4.958 -4.795
89 HH11 ARG 12 1HH1 ARG 12 3.304 -6.459 -5.393
90 HH12 ARG 12 2HH1 ARG 12 3.754 -5.278 -6.552
91 HH21 ARG 12 1HH2 ARG 12 0.815 -3.372 -6.372
92 HH22 ARG 12 2HH2 ARG 12 2.345 -3.531 -7.114
93 HA PRO 13 HA PRO 13 -2.393 -9.434 0.567
94 HB2 PRO 13 2HB PRO 13 -0.530 -11.325 -0.764
95 HB3 PRO 13 1HB PRO 13 -2.199 -11.583 -0.249
96 HG2 PRO 13 2HG PRO 13 -1.614 -11.292 -2.827
97 HG3 PRO 13 1HG PRO 13 -3.083 -10.573 -2.142
98 HD2 PRO 13 2HD PRO 13 -0.495 -9.263 -2.877
99 HD3 PRO 13 1HD PRO 13 -2.162 -8.676 -3.071
100 H ASP 14 H ASP 14 0.851 -9.016 -0.638
101 HA ASP 14 HA ASP 14 2.154 -9.733 1.829
102 HB2 ASP 14 2HB ASP 14 3.190 -8.385 -0.681
103 HB3 ASP 14 1HB ASP 14 4.208 -8.820 0.684
104 HA PRO 15 HA PRO 15 0.936 -5.678 3.404
105 HB2 PRO 15 2HB PRO 15 2.232 -5.918 5.828
106 HB3 PRO 15 1HB PRO 15 0.615 -6.543 5.494
107 HG2 PRO 15 2HG PRO 15 3.236 -7.977 5.508
108 HG3 PRO 15 1HG PRO 15 1.659 -8.524 6.100
109 HD2 PRO 15 2HD PRO 15 2.663 -9.364 3.761
110 HD3 PRO 15 1HD PRO 15 0.925 -9.103 3.983
111 H GLU 16 H GLU 16 4.257 -6.876 3.654
112 HA GLU 16 HA GLU 16 5.304 -4.248 4.019
113 HB2 GLU 16 2HB GLU 16 6.728 -6.824 3.388
114 HB3 GLU 16 1HB GLU 16 7.512 -5.305 3.798
115 HG2 GLU 16 2HG GLU 16 5.591 -6.785 5.533
116 HG3 GLU 16 1HG GLU 16 7.347 -6.806 5.719
117 H GLU 17 H GLU 17 4.628 -6.240 1.306
118 HA GLU 17 HA GLU 17 6.197 -4.604 -0.458
119 HB2 GLU 17 2HB GLU 17 5.690 -6.929 -1.153
120 HB3 GLU 17 1HB GLU 17 3.977 -6.538 -1.182
121 HG2 GLU 17 2HG GLU 17 4.213 -5.111 -3.046
122 HG3 GLU 17 1HG GLU 17 5.960 -5.076 -2.890
123 H ALA 18 H ALA 18 2.870 -4.737 0.586
124 HA ALA 18 HA ALA 18 1.824 -2.707 -1.029
125 HB1 ALA 18 1HB ALA 18 0.422 -4.161 0.409
126 HB2 ALA 18 2HB ALA 18 0.102 -2.455 0.697
127 HB3 ALA 18 3HB ALA 18 1.093 -3.368 1.832
128 H ARG 19 H ARG 19 3.290 -2.586 2.170
129 HA ARG 19 HA ARG 19 3.236 0.194 2.503
130 HB2 ARG 19 2HB ARG 19 4.993 -1.920 3.698
131 HB3 ARG 19 1HB ARG 19 5.104 -0.226 4.149
132 HG2 ARG 19 2HG ARG 19 2.824 -0.250 4.940
133 HG3 ARG 19 1HG ARG 19 2.632 -1.919 4.396
134 HD2 ARG 19 2HD ARG 19 4.246 -2.691 5.967
135 HD3 ARG 19 1HD ARG 19 4.699 -1.039 6.382
136 HE ARG 19 HE ARG 19 2.111 -1.077 6.982
137 HH11 ARG 19 1HH1 ARG 19 4.582 -3.498 7.769
138 HH12 ARG 19 2HH1 ARG 19 4.064 -3.678 9.384
139 HH21 ARG 19 1HH2 ARG 19 1.365 -1.413 9.170
140 HH22 ARG 19 2HH2 ARG 19 2.181 -2.514 10.180
141 H ARG 20 H ARG 20 5.681 -1.894 1.035
142 HA ARG 20 HA ARG 20 7.705 0.042 0.831
143 HB2 ARG 20 2HB ARG 20 8.057 -2.376 0.547
144 HB3 ARG 20 1HB ARG 20 7.198 -2.307 -0.986
145 HG2 ARG 20 2HG ARG 20 8.903 -0.693 -1.788
146 HG3 ARG 20 1HG ARG 20 9.817 -0.985 -0.311
147 HD2 ARG 20 2HD ARG 20 10.684 -2.375 -2.072
148 HD3 ARG 20 1HD ARG 20 9.863 -3.380 -0.873
149 HE ARG 20 HE ARG 20 8.338 -2.510 -3.192
150 HH11 ARG 20 1HH1 ARG 20 10.026 -5.150 -1.519
151 HH12 ARG 20 2HH1 ARG 20 9.336 -6.363 -2.481
152 HH21 ARG 20 1HH2 ARG 20 7.449 -4.157 -4.497
153 HH22 ARG 20 2HH2 ARG 20 7.791 -5.805 -4.200
154 H GLU 21 H GLU 21 5.124 -0.882 -1.404
155 HA GLU 21 HA GLU 21 6.012 0.965 -3.399
156 HB2 GLU 21 2HB GLU 21 3.304 -0.351 -3.121
157 HB3 GLU 21 1HB GLU 21 3.946 0.412 -4.567
158 HG2 GLU 21 2HG GLU 21 4.965 -2.103 -3.252
159 HG3 GLU 21 1HG GLU 21 4.073 -1.993 -4.765
160 H ALA 22 H ALA 22 3.758 1.006 -0.744
161 HA ALA 22 HA ALA 22 2.439 3.402 -1.428
162 HB1 ALA 22 1HB ALA 22 2.759 2.177 1.300
163 HB2 ALA 22 2HB ALA 22 1.495 1.771 0.138
164 HB3 ALA 22 3HB ALA 22 1.571 3.391 0.832
165 H GLU 23 H GLU 23 5.238 2.740 0.662
166 HA GLU 23 HA GLU 23 5.457 5.211 1.890
167 HB2 GLU 23 2HB GLU 23 7.784 4.654 2.397
168 HB3 GLU 23 1HB GLU 23 6.733 3.271 2.650
169 HG2 GLU 23 2HG GLU 23 7.460 2.326 0.525
170 HG3 GLU 23 1HG GLU 23 8.492 3.724 0.254
171 H GLU 24 H GLU 24 6.373 4.375 -1.338
172 HA GLU 24 HA GLU 24 8.143 6.521 -1.822
173 HB2 GLU 24 2HB GLU 24 6.393 5.016 -3.769
174 HB3 GLU 24 1HB GLU 24 7.662 6.141 -4.228
175 HG2 GLU 24 2HG GLU 24 9.307 4.702 -3.094
176 HG3 GLU 24 1HG GLU 24 8.013 3.562 -2.727
177 H ARG 25 H ARG 25 4.696 6.370 -1.666
178 HA ARG 25 HA ARG 25 4.635 9.192 -2.499
179 HB2 ARG 25 2HB ARG 25 2.343 7.220 -2.639
180 HB3 ARG 25 1HB ARG 25 2.231 8.928 -3.029
181 HG2 ARG 25 2HG ARG 25 3.713 6.775 -4.520
182 HG3 ARG 25 1HG ARG 25 2.384 7.784 -5.091
183 HD2 ARG 25 2HD ARG 25 5.222 8.641 -4.510
184 HD3 ARG 25 1HD ARG 25 4.429 8.564 -6.074
185 HE ARG 25 HE ARG 25 2.942 10.365 -5.223
186 HH11 ARG 25 1HH1 ARG 25 6.136 9.961 -3.688
187 HH12 ARG 25 2HH1 ARG 25 6.338 11.626 -3.402
188 HH21 ARG 25 1HH2 ARG 25 3.265 12.665 -4.775
189 HH22 ARG 25 2HH2 ARG 25 4.697 13.183 -4.030
190 H CYS 26 H CYS 26 3.743 6.920 -0.086
191 HA CYS 26 HA CYS 26 2.231 8.747 1.519
192 HB2 CYS 26 2HB CYS 26 1.737 6.365 1.583
193 HB3 CYS 26 1HB CYS 26 3.389 5.997 2.038
194 HN1 NH2 27 HN1 NH2 27 3.667 10.467 1.815
195 HN2 NH2 27 HN2 NH2 27 5.042 10.366 2.857
Start of MODEL 18
1 H1 THR 1 1HT THR 1 -2.696 -5.899 3.854
2 H2 THR 1 2HT THR 1 -3.684 -7.270 4.030
3 H3 THR 1 3HT THR 1 -4.345 -5.732 4.182
4 HA THR 1 HA THR 1 -3.162 -6.899 1.768
5 HB THR 1 HB THR 1 -6.063 -6.248 2.309
6 HG1 THR 1 1HG THR 1 -5.565 -8.895 2.197
7 HG21 THR 1 1HG2 THR 1 -4.681 -7.982 0.241
8 HG22 THR 1 2HG2 THR 1 -5.383 -6.391 -0.058
9 HG23 THR 1 3HG2 THR 1 -6.423 -7.747 0.380
10 H CYS 2 H CYS 2 -5.325 -4.210 2.938
11 HA CYS 2 HA CYS 2 -4.104 -2.557 0.855
12 HB2 CYS 2 2HB CYS 2 -6.916 -2.445 1.959
13 HB3 CYS 2 1HB CYS 2 -6.236 -1.296 0.813
14 H VAL 3 H VAL 3 -2.793 -1.142 1.677
15 HA VAL 3 HA VAL 3 -3.406 0.098 4.260
16 HB VAL 3 HB VAL 3 -1.094 1.035 4.168
17 HG11 VAL 3 1HG1 VAL 3 -1.446 -1.102 5.275
18 HG12 VAL 3 2HG1 VAL 3 0.139 -1.048 4.505
19 HG13 VAL 3 3HG1 VAL 3 -1.179 -1.947 3.752
20 HG21 VAL 3 1HG2 VAL 3 -0.842 -0.580 1.635
21 HG22 VAL 3 2HG2 VAL 3 0.487 0.227 2.465
22 HG23 VAL 3 3HG2 VAL 3 -0.819 1.182 1.754
23 H GLU 4 H GLU 4 -3.043 2.557 4.286
24 HA GLU 4 HA GLU 4 -3.958 3.652 1.718
25 HB2 GLU 4 2HB GLU 4 -5.899 3.249 3.142
26 HB3 GLU 4 1HB GLU 4 -5.168 4.193 4.427
27 HG2 GLU 4 2HG GLU 4 -5.205 6.156 2.921
28 HG3 GLU 4 1HG GLU 4 -6.094 5.180 1.752
29 H CYS 5 H CYS 5 -2.893 5.441 1.122
30 HA CYS 5 HA CYS 5 -1.817 7.195 3.173
31 HB2 CYS 5 2HB CYS 5 0.059 5.741 2.642
32 HB3 CYS 5 1HB CYS 5 -0.168 6.029 0.921
33 H DAL 6 H DAL 6 -2.887 8.982 2.738
34 HA DAL 6 HA DAL 6 -2.178 10.605 0.617
35 HB1 DAL 6 1HB DAL 6 -4.586 10.993 2.375
36 HB2 DAL 6 2HB DAL 6 -3.751 12.224 1.431
37 HB3 DAL 6 3HB DAL 6 -2.933 11.447 2.784
38 HA DPR 7 HA DPR 7 -6.184 9.826 -1.791
39 HB2 DPR 7 1HB DPR 7 -7.980 7.975 -1.086
40 HB3 DPR 7 2HB DPR 7 -7.969 9.575 -0.331
41 HG2 DPR 7 1HG DPR 7 -6.870 6.981 0.677
42 HG3 DPR 7 2HG DPR 7 -7.807 8.202 1.553
43 HD2 DPR 7 1HD DPR 7 -5.076 7.992 1.693
44 HD3 DPR 7 2HD DPR 7 -5.969 9.507 1.937
45 H VAL 8 H VAL 8 -3.789 7.803 -1.124
46 HA VAL 8 HA VAL 8 -4.453 6.074 -3.381
47 HB VAL 8 HB VAL 8 -1.757 6.642 -2.113
48 HG11 VAL 8 1HG1 VAL 8 -2.448 5.205 -4.672
49 HG12 VAL 8 2HG1 VAL 8 -1.831 4.467 -3.194
50 HG13 VAL 8 3HG1 VAL 8 -0.817 5.581 -4.114
51 HG21 VAL 8 1HG2 VAL 8 -2.941 7.730 -4.668
52 HG22 VAL 8 2HG2 VAL 8 -1.286 7.991 -4.115
53 HG23 VAL 8 3HG2 VAL 8 -2.638 8.644 -3.190
54 H LYS 9 H LYS 9 -5.171 4.103 -2.793
55 HA LYS 9 HA LYS 9 -4.125 3.009 -0.318
56 HB2 LYS 9 2HB LYS 9 -5.894 1.317 -0.477
57 HB3 LYS 9 1HB LYS 9 -6.564 2.937 -0.477
58 HG2 LYS 9 2HG LYS 9 -6.968 2.809 -2.848
59 HG3 LYS 9 1HG LYS 9 -6.157 1.241 -2.929
60 HD2 LYS 9 2HD LYS 9 -7.857 0.289 -1.460
61 HD3 LYS 9 1HD LYS 9 -8.656 1.858 -1.363
62 HE2 LYS 9 2HE LYS 9 -9.061 1.794 -3.779
63 HE3 LYS 9 1HE LYS 9 -8.243 0.237 -3.876
64 HZ1 LYS 9 1HZ LYS 9 -10.745 0.774 -2.355
65 HZ2 LYS 9 2HZ LYS 9 -9.947 -0.702 -2.438
66 HZ3 LYS 9 3HZ LYS 9 -10.625 -0.044 -3.820
67 H VAL 10 H VAL 10 -2.962 1.204 -0.276
68 HA VAL 10 HA VAL 10 -2.088 0.220 -2.897
69 HB VAL 10 HB VAL 10 -0.484 0.205 -0.317
70 HG11 VAL 10 1HG1 VAL 10 0.373 -0.438 -3.135
71 HG12 VAL 10 2HG1 VAL 10 0.068 -1.609 -1.856
72 HG13 VAL 10 3HG1 VAL 10 1.396 -0.459 -1.694
73 HG21 VAL 10 1HG2 VAL 10 -0.213 2.020 -2.717
74 HG22 VAL 10 2HG2 VAL 10 0.917 1.943 -1.367
75 HG23 VAL 10 3HG2 VAL 10 -0.738 2.494 -1.101
76 H CYS 11 H CYS 11 -3.018 -1.647 -3.239
77 HA CYS 11 HA CYS 11 -3.512 -3.408 -0.960
78 HB2 CYS 11 2HB CYS 11 -4.853 -3.330 -3.667
79 HB3 CYS 11 1HB CYS 11 -5.184 -4.519 -2.411
80 H ARG 12 H ARG 12 -1.979 -4.800 -0.740
81 HA ARG 12 HA ARG 12 -1.113 -6.274 -3.085
82 HB2 ARG 12 2HB ARG 12 0.695 -5.112 -0.955
83 HB3 ARG 12 1HB ARG 12 1.183 -6.407 -2.029
84 HG2 ARG 12 2HG ARG 12 0.368 -3.631 -2.886
85 HG3 ARG 12 1HG ARG 12 2.023 -4.231 -2.773
86 HD2 ARG 12 2HD ARG 12 -0.155 -5.183 -4.635
87 HD3 ARG 12 1HD ARG 12 1.323 -4.333 -5.070
88 HE ARG 12 HE ARG 12 2.116 -6.661 -3.775
89 HH11 ARG 12 1HH1 ARG 12 0.487 -5.820 -6.822
90 HH12 ARG 12 2HH1 ARG 12 0.853 -7.294 -7.558
91 HH21 ARG 12 1HH2 ARG 12 2.617 -8.601 -4.763
92 HH22 ARG 12 2HH2 ARG 12 2.101 -8.953 -6.366
93 HA PRO 13 HA PRO 13 -2.153 -9.857 -0.699
94 HB2 PRO 13 2HB PRO 13 0.407 -10.876 -1.855
95 HB3 PRO 13 1HB PRO 13 -1.180 -11.642 -1.835
96 HG2 PRO 13 2HG PRO 13 -0.301 -10.545 -4.063
97 HG3 PRO 13 1HG PRO 13 -1.989 -10.330 -3.574
98 HD2 PRO 13 2HD PRO 13 0.282 -8.413 -3.432
99 HD3 PRO 13 1HD PRO 13 -1.434 -8.129 -3.794
100 H ASP 14 H ASP 14 1.308 -9.047 -0.863
101 HA ASP 14 HA ASP 14 1.574 -9.813 1.930
102 HB2 ASP 14 2HB ASP 14 3.602 -9.246 -0.215
103 HB3 ASP 14 1HB ASP 14 4.056 -9.241 1.483
104 HA PRO 15 HA PRO 15 1.314 -5.585 3.283
105 HB2 PRO 15 2HB PRO 15 2.647 -5.914 5.674
106 HB3 PRO 15 1HB PRO 15 0.948 -6.334 5.441
107 HG2 PRO 15 2HG PRO 15 3.361 -8.098 5.367
108 HG3 PRO 15 1HG PRO 15 1.788 -8.397 6.120
109 HD2 PRO 15 2HD PRO 15 2.449 -9.491 3.778
110 HD3 PRO 15 1HD PRO 15 0.787 -8.942 4.094
111 H GLU 16 H GLU 16 4.158 -7.471 3.094
112 HA GLU 16 HA GLU 16 6.314 -5.786 3.379
113 HB2 GLU 16 2HB GLU 16 6.483 -8.159 2.917
114 HB3 GLU 16 1HB GLU 16 5.773 -7.932 1.328
115 HG2 GLU 16 2HG GLU 16 8.085 -8.242 1.043
116 HG3 GLU 16 1HG GLU 16 7.734 -6.541 0.750
117 H GLU 17 H GLU 17 4.555 -6.515 0.391
118 HA GLU 17 HA GLU 17 5.875 -4.571 -1.189
119 HB2 GLU 17 2HB GLU 17 3.275 -6.001 -1.692
120 HB3 GLU 17 1HB GLU 17 4.273 -5.202 -2.896
121 HG2 GLU 17 2HG GLU 17 6.029 -6.844 -2.540
122 HG3 GLU 17 1HG GLU 17 5.057 -7.627 -1.293
123 H ALA 18 H ALA 18 2.785 -4.788 0.455
124 HA ALA 18 HA ALA 18 1.523 -2.512 -0.510
125 HB1 ALA 18 1HB ALA 18 0.122 -2.604 1.480
126 HB2 ALA 18 2HB ALA 18 1.291 -3.651 2.274
127 HB3 ALA 18 3HB ALA 18 0.398 -4.238 0.873
128 H ARG 19 H ARG 19 3.432 -2.837 2.473
129 HA ARG 19 HA ARG 19 3.379 -0.095 3.101
130 HB2 ARG 19 2HB ARG 19 5.235 -2.301 3.950
131 HB3 ARG 19 1HB ARG 19 5.314 -0.662 4.584
132 HG2 ARG 19 2HG ARG 19 3.103 -0.851 5.465
133 HG3 ARG 19 1HG ARG 19 2.925 -2.463 4.765
134 HD2 ARG 19 2HD ARG 19 4.664 -3.329 6.151
135 HD3 ARG 19 1HD ARG 19 5.069 -1.715 6.731
136 HE ARG 19 HE ARG 19 2.696 -1.747 7.586
137 HH11 ARG 19 1HH1 ARG 19 4.702 -4.683 7.415
138 HH12 ARG 19 2HH1 ARG 19 4.061 -5.378 8.818
139 HH21 ARG 19 1HH2 ARG 19 1.862 -2.702 9.577
140 HH22 ARG 19 2HH2 ARG 19 2.438 -4.215 10.097
141 H ARG 20 H ARG 20 5.708 -2.096 1.399
142 HA ARG 20 HA ARG 20 7.839 -0.386 0.988
143 HB2 ARG 20 2HB ARG 20 7.778 -2.726 0.240
144 HB3 ARG 20 1HB ARG 20 6.574 -2.314 -0.961
145 HG2 ARG 20 2HG ARG 20 8.269 -0.833 -2.038
146 HG3 ARG 20 1HG ARG 20 9.463 -1.489 -0.909
147 HD2 ARG 20 2HD ARG 20 9.529 -2.676 -3.038
148 HD3 ARG 20 1HD ARG 20 8.996 -3.743 -1.736
149 HE ARG 20 HE ARG 20 6.748 -2.589 -2.928
150 HH11 ARG 20 1HH1 ARG 20 9.241 -4.959 -3.720
151 HH12 ARG 20 2HH1 ARG 20 8.260 -5.819 -4.821
152 HH21 ARG 20 1HH2 ARG 20 5.392 -3.797 -4.471
153 HH22 ARG 20 2HH2 ARG 20 6.105 -5.127 -5.270
154 H GLU 21 H GLU 21 5.004 -0.784 -1.090
155 HA GLU 21 HA GLU 21 5.764 1.374 -2.755
156 HB2 GLU 21 2HB GLU 21 3.260 -0.287 -2.617
157 HB3 GLU 21 1HB GLU 21 3.605 0.898 -3.881
158 HG2 GLU 21 2HG GLU 21 5.529 -0.326 -4.599
159 HG3 GLU 21 1HG GLU 21 5.397 -1.420 -3.229
160 H ALA 22 H ALA 22 3.651 1.027 0.016
161 HA ALA 22 HA ALA 22 2.247 3.436 -0.254
162 HB1 ALA 22 1HB ALA 22 3.051 2.059 2.306
163 HB2 ALA 22 2HB ALA 22 1.621 1.682 1.346
164 HB3 ALA 22 3HB ALA 22 1.772 3.261 2.121
165 H GLU 23 H GLU 23 5.330 2.714 1.340
166 HA GLU 23 HA GLU 23 5.857 5.222 2.462
167 HB2 GLU 23 2HB GLU 23 7.833 3.251 1.305
168 HB3 GLU 23 1HB GLU 23 8.253 4.600 2.341
169 HG2 GLU 23 2HG GLU 23 6.935 3.600 4.149
170 HG3 GLU 23 1HG GLU 23 6.555 2.236 3.097
171 H GLU 24 H GLU 24 6.256 4.132 -0.824
172 HA GLU 24 HA GLU 24 7.648 6.547 -1.555
173 HB2 GLU 24 2HB GLU 24 6.760 4.188 -3.183
174 HB3 GLU 24 1HB GLU 24 7.584 5.587 -3.863
175 HG2 GLU 24 2HG GLU 24 9.481 5.184 -2.376
176 HG3 GLU 24 1HG GLU 24 8.660 3.764 -1.731
177 H ARG 25 H ARG 25 4.406 5.490 -1.463
178 HA ARG 25 HA ARG 25 3.495 7.530 -3.322
179 HB2 ARG 25 2HB ARG 25 1.861 5.804 -1.435
180 HB3 ARG 25 1HB ARG 25 1.216 6.824 -2.711
181 HG2 ARG 25 2HG ARG 25 2.943 4.384 -3.072
182 HG3 ARG 25 1HG ARG 25 1.215 4.503 -3.390
183 HD2 ARG 25 2HD ARG 25 1.614 6.085 -5.169
184 HD3 ARG 25 1HD ARG 25 3.338 6.118 -4.800
185 HE ARG 25 HE ARG 25 2.697 3.492 -5.271
186 HH11 ARG 25 1HH1 ARG 25 2.514 6.478 -7.146
187 HH12 ARG 25 2HH1 ARG 25 2.907 5.745 -8.628
188 HH21 ARG 25 1HH2 ARG 25 3.244 2.471 -7.313
189 HH22 ARG 25 2HH2 ARG 25 3.280 3.400 -8.725
190 H CYS 26 H CYS 26 4.090 7.119 0.003
191 HA CYS 26 HA CYS 26 2.716 9.461 0.892
192 HB2 CYS 26 2HB CYS 26 4.837 7.732 2.182
193 HB3 CYS 26 1HB CYS 26 4.013 9.024 3.026
194 HN1 NH2 27 HN1 NH2 27 3.441 11.232 -0.201
195 HN2 NH2 27 HN2 NH2 27 5.079 11.776 -0.210
Start of MODEL 19
1 H1 THR 1 1HT THR 1 -3.729 -5.581 4.039
2 H2 THR 1 2HT THR 1 -3.985 -7.226 3.782
3 H3 THR 1 3HT THR 1 -5.108 -6.131 3.205
4 HA THR 1 HA THR 1 -2.334 -6.492 2.304
5 HB THR 1 HB THR 1 -3.549 -7.008 0.124
6 HG1 THR 1 1HG THR 1 -5.762 -7.973 1.298
7 HG21 THR 1 1HG2 THR 1 -3.948 -9.335 0.745
8 HG22 THR 1 2HG2 THR 1 -3.974 -8.881 2.450
9 HG23 THR 1 3HG2 THR 1 -2.482 -8.729 1.520
10 H CYS 2 H CYS 2 -5.056 -4.344 2.508
11 HA CYS 2 HA CYS 2 -3.856 -2.581 0.526
12 HB2 CYS 2 2HB CYS 2 -6.558 -2.460 1.878
13 HB3 CYS 2 1HB CYS 2 -5.977 -1.360 0.635
14 H VAL 3 H VAL 3 -2.569 -1.115 1.274
15 HA VAL 3 HA VAL 3 -3.042 -0.098 3.968
16 HB VAL 3 HB VAL 3 -0.775 0.887 3.866
17 HG11 VAL 3 1HG1 VAL 3 0.538 -1.186 3.964
18 HG12 VAL 3 2HG1 VAL 3 -0.808 -2.057 3.227
19 HG13 VAL 3 3HG1 VAL 3 -0.998 -1.329 4.821
20 HG21 VAL 3 1HG2 VAL 3 -0.592 -0.481 1.189
21 HG22 VAL 3 2HG2 VAL 3 0.755 0.283 2.027
22 HG23 VAL 3 3HG2 VAL 3 -0.610 1.257 1.475
23 H GLU 4 H GLU 4 -3.266 2.118 4.248
24 HA GLU 4 HA GLU 4 -4.047 3.474 1.784
25 HB2 GLU 4 2HB GLU 4 -5.077 3.785 4.596
26 HB3 GLU 4 1HB GLU 4 -5.538 4.823 3.254
27 HG2 GLU 4 2HG GLU 4 -6.516 2.975 2.083
28 HG3 GLU 4 1HG GLU 4 -5.934 1.848 3.306
29 H CYS 5 H CYS 5 -2.868 5.097 1.204
30 HA CYS 5 HA CYS 5 -1.523 6.666 3.249
31 HB2 CYS 5 2HB CYS 5 0.039 4.923 2.269
32 HB3 CYS 5 1HB CYS 5 -0.165 5.722 0.713
33 H DAL 6 H DAL 6 -1.968 8.702 2.905
34 HA DAL 6 HA DAL 6 -2.000 10.082 0.535
35 HB1 DAL 6 1HB DAL 6 -3.607 10.777 2.986
36 HB2 DAL 6 2HB DAL 6 -3.110 11.882 1.706
37 HB3 DAL 6 3HB DAL 6 -1.896 11.141 2.749
38 HA DPR 7 HA DPR 7 -6.752 9.493 -0.035
39 HB2 DPR 7 1HB DPR 7 -8.051 7.490 1.186
40 HB3 DPR 7 2HB DPR 7 -7.793 9.045 1.986
41 HG2 DPR 7 1HG DPR 7 -6.236 6.498 2.245
42 HG3 DPR 7 2HG DPR 7 -6.862 7.549 3.532
43 HD2 DPR 7 1HD DPR 7 -4.289 7.658 2.691
44 HD3 DPR 7 2HD DPR 7 -5.161 9.099 3.246
45 H VAL 8 H VAL 8 -4.272 7.425 -0.458
46 HA VAL 8 HA VAL 8 -5.692 5.975 -2.560
47 HB VAL 8 HB VAL 8 -2.710 6.385 -2.134
48 HG11 VAL 8 1HG1 VAL 8 -4.183 5.267 -4.515
49 HG12 VAL 8 2HG1 VAL 8 -3.201 4.344 -3.380
50 HG13 VAL 8 3HG1 VAL 8 -2.446 5.553 -4.418
51 HG21 VAL 8 1HG2 VAL 8 -4.586 7.758 -4.064
52 HG22 VAL 8 2HG2 VAL 8 -2.834 7.956 -4.022
53 HG23 VAL 8 3HG2 VAL 8 -3.816 8.493 -2.658
54 H LYS 9 H LYS 9 -6.045 3.822 -2.318
55 HA LYS 9 HA LYS 9 -4.678 2.503 -0.127
56 HB2 LYS 9 2HB LYS 9 -6.361 0.760 -0.277
57 HB3 LYS 9 1HB LYS 9 -7.165 2.316 -0.203
58 HG2 LYS 9 2HG LYS 9 -7.565 2.214 -2.630
59 HG3 LYS 9 1HG LYS 9 -6.728 0.666 -2.683
60 HD2 LYS 9 2HD LYS 9 -8.421 -0.249 -1.118
61 HD3 LYS 9 1HD LYS 9 -9.298 1.277 -1.228
62 HE2 LYS 9 2HE LYS 9 -10.294 -0.306 -2.755
63 HE3 LYS 9 1HE LYS 9 -9.476 0.949 -3.680
64 HZ1 LYS 9 1HZ LYS 9 -8.377 -1.766 -3.121
65 HZ2 LYS 9 2HZ LYS 9 -7.612 -0.585 -4.053
66 HZ3 LYS 9 3HZ LYS 9 -9.044 -1.269 -4.564
67 H VAL 10 H VAL 10 -3.037 1.275 -0.520
68 HA VAL 10 HA VAL 10 -2.581 0.304 -3.258
69 HB VAL 10 HB VAL 10 -0.603 0.503 -0.948
70 HG11 VAL 10 1HG1 VAL 10 -0.134 -0.172 -3.855
71 HG12 VAL 10 2HG1 VAL 10 -0.037 -1.290 -2.494
72 HG13 VAL 10 3HG1 VAL 10 1.120 0.035 -2.631
73 HG21 VAL 10 1HG2 VAL 10 -1.243 2.719 -1.742
74 HG22 VAL 10 2HG2 VAL 10 -0.880 2.244 -3.401
75 HG23 VAL 10 3HG2 VAL 10 0.419 2.352 -2.211
76 H CYS 11 H CYS 11 -3.244 -1.727 -3.544
77 HA CYS 11 HA CYS 11 -3.333 -3.476 -1.201
78 HB2 CYS 11 2HB CYS 11 -4.892 -3.688 -3.785
79 HB3 CYS 11 1HB CYS 11 -5.061 -4.718 -2.373
80 H ARG 12 H ARG 12 -1.685 -4.778 -1.096
81 HA ARG 12 HA ARG 12 -0.839 -6.175 -3.527
82 HB2 ARG 12 2HB ARG 12 1.016 -5.137 -1.347
83 HB3 ARG 12 1HB ARG 12 1.513 -6.151 -2.677
84 HG2 ARG 12 2HG ARG 12 0.513 -3.316 -2.843
85 HG3 ARG 12 1HG ARG 12 2.157 -3.885 -3.128
86 HD2 ARG 12 2HD ARG 12 -0.294 -4.499 -4.782
87 HD3 ARG 12 1HD ARG 12 1.049 -3.457 -5.231
88 HE ARG 12 HE ARG 12 2.270 -5.801 -4.761
89 HH11 ARG 12 1HH1 ARG 12 -0.600 -5.068 -6.720
90 HH12 ARG 12 2HH1 ARG 12 -0.263 -6.244 -7.897
91 HH21 ARG 12 1HH2 ARG 12 2.729 -7.375 -6.349
92 HH22 ARG 12 2HH2 ARG 12 1.729 -7.591 -7.702
93 HA PRO 13 HA PRO 13 -1.543 -9.950 -1.350
94 HB2 PRO 13 2HB PRO 13 0.893 -11.266 -1.691
95 HB3 PRO 13 1HB PRO 13 -0.434 -11.268 -2.857
96 HG2 PRO 13 2HG PRO 13 2.010 -9.538 -2.773
97 HG3 PRO 13 1HG PRO 13 1.243 -10.320 -4.169
98 HD2 PRO 13 2HD PRO 13 0.876 -7.744 -3.759
99 HD3 PRO 13 1HD PRO 13 -0.504 -8.758 -4.222
100 H ASP 14 H ASP 14 1.616 -8.546 -0.715
101 HA ASP 14 HA ASP 14 1.472 -9.502 2.040
102 HB2 ASP 14 2HB ASP 14 3.784 -8.543 0.363
103 HB3 ASP 14 1HB ASP 14 3.901 -8.649 2.110
104 HA PRO 15 HA PRO 15 0.345 -5.365 3.236
105 HB2 PRO 15 2HB PRO 15 1.240 -5.542 5.848
106 HB3 PRO 15 1HB PRO 15 -0.336 -6.123 5.304
107 HG2 PRO 15 2HG PRO 15 2.197 -7.648 5.753
108 HG3 PRO 15 1HG PRO 15 0.534 -8.108 6.152
109 HD2 PRO 15 2HD PRO 15 1.775 -9.118 4.021
110 HD3 PRO 15 1HD PRO 15 0.048 -8.712 3.965
111 H GLU 16 H GLU 16 3.448 -6.798 3.881
112 HA GLU 16 HA GLU 16 4.938 -4.458 4.477
113 HB2 GLU 16 2HB GLU 16 5.910 -7.031 3.244
114 HB3 GLU 16 1HB GLU 16 6.887 -5.833 4.076
115 HG2 GLU 16 2HG GLU 16 5.729 -6.307 6.148
116 HG3 GLU 16 1HG GLU 16 4.724 -7.501 5.325
117 H GLU 17 H GLU 17 4.236 -6.231 1.516
118 HA GLU 17 HA GLU 17 5.978 -4.764 -0.183
119 HB2 GLU 17 2HB GLU 17 5.098 -7.048 -0.687
120 HB3 GLU 17 1HB GLU 17 3.499 -6.350 -0.901
121 HG2 GLU 17 2HG GLU 17 4.376 -4.988 -2.749
122 HG3 GLU 17 1HG GLU 17 5.942 -5.765 -2.553
123 H ALA 18 H ALA 18 2.586 -4.617 0.640
124 HA ALA 18 HA ALA 18 1.801 -2.539 -1.066
125 HB1 ALA 18 1HB ALA 18 0.219 -4.022 0.131
126 HB2 ALA 18 2HB ALA 18 -0.136 -2.321 0.374
127 HB3 ALA 18 3HB ALA 18 0.671 -3.239 1.645
128 H ARG 19 H ARG 19 2.835 -2.511 2.330
129 HA ARG 19 HA ARG 19 2.654 0.224 2.838
130 HB2 ARG 19 2HB ARG 19 3.144 -1.644 4.492
131 HB3 ARG 19 1HB ARG 19 4.811 -1.565 3.937
132 HG2 ARG 19 2HG ARG 19 4.705 0.917 4.532
133 HG3 ARG 19 1HG ARG 19 3.234 0.512 5.416
134 HD2 ARG 19 2HD ARG 19 4.979 0.401 6.996
135 HD3 ARG 19 1HD ARG 19 4.609 -1.275 6.573
136 HE ARG 19 HE ARG 19 6.765 0.185 5.253
137 HH11 ARG 19 1HH1 ARG 19 5.713 -2.624 7.170
138 HH12 ARG 19 2HH1 ARG 19 7.233 -3.369 7.218
139 HH21 ARG 19 1HH2 ARG 19 8.878 -0.840 5.315
140 HH22 ARG 19 2HH2 ARG 19 9.118 -2.302 6.144
141 H ARG 20 H ARG 20 5.322 -1.715 1.623
142 HA ARG 20 HA ARG 20 7.409 0.051 1.422
143 HB2 ARG 20 2HB ARG 20 7.561 -2.318 0.853
144 HB3 ARG 20 1HB ARG 20 6.550 -2.057 -0.550
145 HG2 ARG 20 2HG ARG 20 8.317 -0.513 -1.437
146 HG3 ARG 20 1HG ARG 20 9.351 -1.055 -0.113
147 HD2 ARG 20 2HD ARG 20 9.818 -2.321 -2.130
148 HD3 ARG 20 1HD ARG 20 9.117 -3.369 -0.897
149 HE ARG 20 HE ARG 20 6.997 -2.496 -2.425
150 HH11 ARG 20 1HH1 ARG 20 9.965 -4.318 -3.045
151 HH12 ARG 20 2HH1 ARG 20 9.324 -5.212 -4.338
152 HH21 ARG 20 1HH2 ARG 20 6.087 -3.721 -4.259
153 HH22 ARG 20 2HH2 ARG 20 7.086 -4.864 -5.020
154 H GLU 21 H GLU 21 5.058 -0.658 -1.123
155 HA GLU 21 HA GLU 21 6.073 1.348 -2.816
156 HB2 GLU 21 2HB GLU 21 3.541 -0.272 -2.930
157 HB3 GLU 21 1HB GLU 21 4.067 0.822 -4.211
158 HG2 GLU 21 2HG GLU 21 6.092 -0.436 -4.524
159 HG3 GLU 21 1HG GLU 21 5.691 -1.480 -3.166
160 H ALA 22 H ALA 22 3.435 1.284 -0.520
161 HA ALA 22 HA ALA 22 2.261 3.721 -1.279
162 HB1 ALA 22 1HB ALA 22 1.207 3.707 0.905
163 HB2 ALA 22 2HB ALA 22 2.329 2.462 1.455
164 HB3 ALA 22 3HB ALA 22 1.158 2.097 0.185
165 H GLU 23 H GLU 23 4.743 3.018 1.196
166 HA GLU 23 HA GLU 23 4.933 5.771 1.942
167 HB2 GLU 23 2HB GLU 23 6.823 5.096 3.351
168 HB3 GLU 23 1HB GLU 23 5.453 4.014 3.561
169 HG2 GLU 23 2HG GLU 23 6.532 2.382 2.095
170 HG3 GLU 23 1HG GLU 23 7.902 3.471 1.908
171 H GLU 24 H GLU 24 6.652 3.763 -0.351
172 HA GLU 24 HA GLU 24 8.659 5.731 -0.845
173 HB2 GLU 24 2HB GLU 24 7.748 3.370 -2.495
174 HB3 GLU 24 1HB GLU 24 9.096 4.409 -2.936
175 HG2 GLU 24 2HG GLU 24 8.909 2.750 -0.427
176 HG3 GLU 24 1HG GLU 24 9.843 2.341 -1.864
177 H ARG 25 H ARG 25 5.448 5.241 -1.902
178 HA ARG 25 HA ARG 25 5.551 7.041 -4.128
179 HB2 ARG 25 2HB ARG 25 3.866 5.255 -3.961
180 HB3 ARG 25 1HB ARG 25 3.225 5.991 -2.506
181 HG2 ARG 25 2HG ARG 25 1.784 6.484 -4.364
182 HG3 ARG 25 1HG ARG 25 2.573 7.963 -3.826
183 HD2 ARG 25 2HD ARG 25 4.129 7.872 -5.641
184 HD3 ARG 25 1HD ARG 25 3.545 6.286 -6.127
185 HE ARG 25 HE ARG 25 1.371 7.968 -6.132
186 HH11 ARG 25 1HH1 ARG 25 4.446 7.824 -7.866
187 HH12 ARG 25 2HH1 ARG 25 3.810 8.404 -9.336
188 HH21 ARG 25 1HH2 ARG 25 0.492 8.791 -8.152
189 HH22 ARG 25 2HH2 ARG 25 1.510 8.982 -9.499
190 H CYS 26 H CYS 26 4.066 7.164 -0.911
191 HA CYS 26 HA CYS 26 3.404 9.891 -0.950
192 HB2 CYS 26 2HB CYS 26 3.825 8.006 1.359
193 HB3 CYS 26 1HB CYS 26 3.035 9.563 1.492
194 HN1 NH2 27 HN1 NH2 27 5.708 8.472 1.357
195 HN2 NH2 27 HN2 NH2 27 6.842 9.761 1.266
Start of MODEL 20
1 H1 THR 1 1HT THR 1 -4.221 -6.396 3.459
2 H2 THR 1 2HT THR 1 -4.803 -7.898 3.011
3 H3 THR 1 3HT THR 1 -5.693 -6.519 2.645
4 HA THR 1 HA THR 1 -3.003 -7.201 1.650
5 HB THR 1 HB THR 1 -4.744 -8.723 0.709
6 HG1 THR 1 1HG THR 1 -2.936 -7.537 -0.632
7 HG21 THR 1 1HG2 THR 1 -6.688 -7.264 0.839
8 HG22 THR 1 2HG2 THR 1 -6.465 -7.834 -0.816
9 HG23 THR 1 3HG2 THR 1 -5.990 -6.194 -0.376
10 H CYS 2 H CYS 2 -5.364 -4.657 2.118
11 HA CYS 2 HA CYS 2 -3.808 -2.950 0.308
12 HB2 CYS 2 2HB CYS 2 -6.711 -2.690 1.088
13 HB3 CYS 2 1HB CYS 2 -5.832 -1.619 -0.001
14 H VAL 3 H VAL 3 -2.923 -1.180 1.160
15 HA VAL 3 HA VAL 3 -3.672 -0.467 3.911
16 HB VAL 3 HB VAL 3 -1.411 0.343 4.304
17 HG11 VAL 3 1HG1 VAL 3 -1.396 -2.479 3.268
18 HG12 VAL 3 2HG1 VAL 3 -1.831 -1.955 4.894
19 HG13 VAL 3 3HG1 VAL 3 -0.170 -1.773 4.322
20 HG21 VAL 3 1HG2 VAL 3 -0.791 -0.617 1.514
21 HG22 VAL 3 2HG2 VAL 3 0.410 -0.087 2.686
22 HG23 VAL 3 3HG2 VAL 3 -0.791 1.056 2.075
23 H GLU 4 H GLU 4 -3.274 1.834 4.432
24 HA GLU 4 HA GLU 4 -4.017 3.488 2.130
25 HB2 GLU 4 2HB GLU 4 -4.508 3.991 5.074
26 HB3 GLU 4 1HB GLU 4 -4.978 5.056 3.771
27 HG2 GLU 4 2HG GLU 4 -6.936 3.950 4.468
28 HG3 GLU 4 1HG GLU 4 -6.470 3.194 2.951
29 H CYS 5 H CYS 5 -2.687 5.117 1.579
30 HA CYS 5 HA CYS 5 -0.918 6.239 3.614
31 HB2 CYS 5 2HB CYS 5 0.466 4.734 2.222
32 HB3 CYS 5 1HB CYS 5 -0.099 5.562 0.772
33 H DAL 6 H DAL 6 -1.988 8.067 3.853
34 HA DAL 6 HA DAL 6 -1.759 10.167 2.114
35 HB1 DAL 6 1HB DAL 6 -3.884 9.895 4.244
36 HB2 DAL 6 2HB DAL 6 -3.307 11.393 3.524
37 HB3 DAL 6 3HB DAL 6 -2.223 10.419 4.514
38 HA DPR 7 HA DPR 7 -6.075 9.599 0.222
39 HB2 DPR 7 1HB DPR 7 -7.722 7.599 0.821
40 HB3 DPR 7 2HB DPR 7 -7.537 8.973 1.921
41 HG2 DPR 7 1HG DPR 7 -6.315 6.238 2.064
42 HG3 DPR 7 2HG DPR 7 -7.048 7.199 3.360
43 HD2 DPR 7 1HD DPR 7 -4.330 7.038 2.884
44 HD3 DPR 7 2HD DPR 7 -5.130 8.377 3.726
45 H VAL 8 H VAL 8 -3.576 7.670 -0.055
46 HA VAL 8 HA VAL 8 -4.585 6.436 -2.473
47 HB VAL 8 HB VAL 8 -1.753 6.494 -1.373
48 HG11 VAL 8 1HG1 VAL 8 -1.064 5.888 -3.648
49 HG12 VAL 8 2HG1 VAL 8 -2.756 5.786 -4.132
50 HG13 VAL 8 3HG1 VAL 8 -2.111 4.656 -2.941
51 HG21 VAL 8 1HG2 VAL 8 -3.047 8.252 -3.455
52 HG22 VAL 8 2HG2 VAL 8 -1.335 8.248 -3.045
53 HG23 VAL 8 3HG2 VAL 8 -2.528 8.747 -1.844
54 H LYS 9 H LYS 9 -5.125 4.357 -2.582
55 HA LYS 9 HA LYS 9 -4.455 2.681 -0.294
56 HB2 LYS 9 2HB LYS 9 -6.365 1.281 -0.979
57 HB3 LYS 9 1HB LYS 9 -6.854 2.921 -0.585
58 HG2 LYS 9 2HG LYS 9 -6.969 3.439 -2.998
59 HG3 LYS 9 1HG LYS 9 -6.532 1.769 -3.363
60 HD2 LYS 9 2HD LYS 9 -9.000 2.703 -1.893
61 HD3 LYS 9 1HD LYS 9 -8.938 2.131 -3.555
62 HE2 LYS 9 2HE LYS 9 -8.225 -0.079 -2.789
63 HE3 LYS 9 1HE LYS 9 -8.221 0.485 -1.122
64 HZ1 LYS 9 1HZ LYS 9 -10.217 -0.710 -1.567
65 HZ2 LYS 9 2HZ LYS 9 -10.590 0.257 -2.892
66 HZ3 LYS 9 3HZ LYS 9 -10.612 0.915 -1.342
67 H VAL 10 H VAL 10 -2.993 1.193 -0.589
68 HA VAL 10 HA VAL 10 -2.489 0.306 -3.340
69 HB VAL 10 HB VAL 10 -0.452 0.476 -1.094
70 HG11 VAL 10 1HG1 VAL 10 -0.145 -0.335 -3.986
71 HG12 VAL 10 2HG1 VAL 10 0.023 -1.392 -2.582
72 HG13 VAL 10 3HG1 VAL 10 1.180 -0.086 -2.856
73 HG21 VAL 10 1HG2 VAL 10 -1.024 2.678 -1.952
74 HG22 VAL 10 2HG2 VAL 10 -0.764 2.114 -3.601
75 HG23 VAL 10 3HG2 VAL 10 0.596 2.216 -2.485
76 H CYS 11 H CYS 11 -2.600 -1.764 -3.752
77 HA CYS 11 HA CYS 11 -3.084 -3.562 -1.509
78 HB2 CYS 11 2HB CYS 11 -4.231 -3.644 -4.307
79 HB3 CYS 11 1HB CYS 11 -4.572 -4.778 -3.003
80 H ARG 12 H ARG 12 -1.672 -5.111 -1.295
81 HA ARG 12 HA ARG 12 -0.366 -6.339 -3.586
82 HB2 ARG 12 2HB ARG 12 1.093 -5.118 -1.218
83 HB3 ARG 12 1HB ARG 12 1.813 -6.351 -2.223
84 HG2 ARG 12 2HG ARG 12 0.911 -3.641 -3.181
85 HG3 ARG 12 1HG ARG 12 2.570 -4.085 -2.784
86 HD2 ARG 12 2HD ARG 12 2.427 -5.872 -4.533
87 HD3 ARG 12 1HD ARG 12 0.850 -5.225 -4.989
88 HE ARG 12 HE ARG 12 2.516 -3.092 -5.044
89 HH11 ARG 12 1HH1 ARG 12 2.335 -6.171 -6.809
90 HH12 ARG 12 2HH1 ARG 12 3.277 -5.632 -8.116
91 HH21 ARG 12 1HH2 ARG 12 3.846 -2.382 -6.816
92 HH22 ARG 12 2HH2 ARG 12 4.125 -3.433 -8.130
93 HA PRO 13 HA PRO 13 -1.238 -10.085 -1.340
94 HB2 PRO 13 2HB PRO 13 1.200 -11.394 -1.445
95 HB3 PRO 13 1HB PRO 13 0.006 -11.399 -2.746
96 HG2 PRO 13 2HG PRO 13 2.421 -9.659 -2.401
97 HG3 PRO 13 1HG PRO 13 1.837 -10.476 -3.862
98 HD2 PRO 13 2HD PRO 13 1.404 -7.900 -3.551
99 HD3 PRO 13 1HD PRO 13 0.102 -8.942 -4.163
100 H ASP 14 H ASP 14 1.620 -8.315 -0.485
101 HA ASP 14 HA ASP 14 1.477 -9.362 2.260
102 HB2 ASP 14 2HB ASP 14 3.846 -8.179 0.799
103 HB3 ASP 14 1HB ASP 14 3.862 -8.684 2.480
104 HA PRO 15 HA PRO 15 0.148 -5.245 3.336
105 HB2 PRO 15 2HB PRO 15 0.926 -5.300 5.987
106 HB3 PRO 15 1HB PRO 15 -0.586 -5.980 5.382
107 HG2 PRO 15 2HG PRO 15 1.991 -7.350 6.015
108 HG3 PRO 15 1HG PRO 15 0.331 -7.894 6.316
109 HD2 PRO 15 2HD PRO 15 1.781 -8.870 4.280
110 HD3 PRO 15 1HD PRO 15 0.033 -8.600 4.138
111 H GLU 16 H GLU 16 3.357 -6.365 4.402
112 HA GLU 16 HA GLU 16 4.401 -3.767 4.795
113 HB2 GLU 16 2HB GLU 16 5.352 -5.769 5.852
114 HB3 GLU 16 1HB GLU 16 5.824 -6.370 4.272
115 HG2 GLU 16 2HG GLU 16 7.405 -4.634 3.993
116 HG3 GLU 16 1HG GLU 16 6.837 -3.809 5.443
117 H GLU 17 H GLU 17 4.240 -5.940 2.087
118 HA GLU 17 HA GLU 17 5.971 -4.563 0.318
119 HB2 GLU 17 2HB GLU 17 5.065 -6.876 0.014
120 HB3 GLU 17 1HB GLU 17 3.501 -6.168 -0.379
121 HG2 GLU 17 2HG GLU 17 4.557 -6.736 -2.407
122 HG3 GLU 17 1HG GLU 17 4.665 -4.983 -2.258
123 H ALA 18 H ALA 18 2.490 -4.489 0.913
124 HA ALA 18 HA ALA 18 1.781 -2.535 -0.949
125 HB1 ALA 18 1HB ALA 18 -0.283 -2.306 0.314
126 HB2 ALA 18 2HB ALA 18 0.447 -3.118 1.696
127 HB3 ALA 18 3HB ALA 18 0.154 -4.012 0.207
128 H ARG 19 H ARG 19 2.680 -2.267 2.464
129 HA ARG 19 HA ARG 19 2.418 0.496 2.768
130 HB2 ARG 19 2HB ARG 19 2.834 -0.940 4.690
131 HB3 ARG 19 1HB ARG 19 4.417 -1.365 4.041
132 HG2 ARG 19 2HG ARG 19 5.081 1.010 4.198
133 HG3 ARG 19 1HG ARG 19 3.545 1.352 4.984
134 HD2 ARG 19 2HD ARG 19 4.124 -0.006 6.853
135 HD3 ARG 19 1HD ARG 19 5.557 -0.626 6.025
136 HE ARG 19 HE ARG 19 5.760 2.132 6.064
137 HH11 ARG 19 1HH1 ARG 19 5.730 -0.447 8.480
138 HH12 ARG 19 2HH1 ARG 19 6.801 0.340 9.540
139 HH21 ARG 19 1HH2 ARG 19 7.123 3.222 7.476
140 HH22 ARG 19 2HH2 ARG 19 7.596 2.552 8.976
141 H ARG 20 H ARG 20 5.273 -1.394 1.849
142 HA ARG 20 HA ARG 20 7.013 0.740 1.560
143 HB2 ARG 20 2HB ARG 20 6.996 -1.958 0.251
144 HB3 ARG 20 1HB ARG 20 8.290 -0.804 -0.014
145 HG2 ARG 20 2HG ARG 20 8.723 -0.784 2.413
146 HG3 ARG 20 1HG ARG 20 7.463 -2.003 2.618
147 HD2 ARG 20 2HD ARG 20 9.697 -2.990 2.568
148 HD3 ARG 20 1HD ARG 20 8.705 -3.552 1.221
149 HE ARG 20 HE ARG 20 9.991 -1.538 0.079
150 HH11 ARG 20 1HH1 ARG 20 11.266 -4.143 2.108
151 HH12 ARG 20 2HH1 ARG 20 12.805 -4.134 1.381
152 HH21 ARG 20 1HH2 ARG 20 12.078 -1.528 -0.897
153 HH22 ARG 20 2HH2 ARG 20 13.290 -2.607 -0.376
154 H GLU 21 H GLU 21 4.994 -0.806 -0.893
155 HA GLU 21 HA GLU 21 5.649 0.759 -3.100
156 HB2 GLU 21 2HB GLU 21 3.021 -0.415 -2.240
157 HB3 GLU 21 1HB GLU 21 3.269 0.316 -3.820
158 HG2 GLU 21 2HG GLU 21 4.739 -2.072 -2.738
159 HG3 GLU 21 1HG GLU 21 3.356 -2.136 -3.827
160 H ALA 22 H ALA 22 3.126 1.217 -0.681
161 HA ALA 22 HA ALA 22 1.989 3.542 -1.677
162 HB1 ALA 22 1HB ALA 22 0.882 3.716 0.440
163 HB2 ALA 22 2HB ALA 22 2.048 2.622 1.183
164 HB3 ALA 22 3HB ALA 22 0.942 2.023 -0.052
165 H GLU 23 H GLU 23 4.228 3.281 1.111
166 HA GLU 23 HA GLU 23 4.251 6.106 1.298
167 HB2 GLU 23 2HB GLU 23 5.979 5.896 3.037
168 HB3 GLU 23 1HB GLU 23 4.566 4.902 3.335
169 HG2 GLU 23 2HG GLU 23 5.761 2.927 2.706
170 HG3 GLU 23 1HG GLU 23 7.146 3.884 2.178
171 H GLU 24 H GLU 24 6.268 3.901 -0.449
172 HA GLU 24 HA GLU 24 8.350 5.807 -0.844
173 HB2 GLU 24 2HB GLU 24 8.676 3.356 -1.128
174 HB3 GLU 24 1HB GLU 24 7.633 3.401 -2.535
175 HG2 GLU 24 2HG GLU 24 9.227 4.788 -3.713
176 HG3 GLU 24 1HG GLU 24 10.246 4.876 -2.277
177 H ARG 25 H ARG 25 5.334 5.011 -2.472
178 HA ARG 25 HA ARG 25 5.818 6.839 -4.609
179 HB2 ARG 25 2HB ARG 25 4.212 4.962 -4.884
180 HB3 ARG 25 1HB ARG 25 3.152 5.720 -3.696
181 HG2 ARG 25 2HG ARG 25 2.994 7.708 -5.144
182 HG3 ARG 25 1HG ARG 25 3.979 6.883 -6.342
183 HD2 ARG 25 2HD ARG 25 2.244 5.162 -6.558
184 HD3 ARG 25 1HD ARG 25 1.259 6.022 -5.366
185 HE ARG 25 HE ARG 25 2.103 7.677 -7.520
186 HH11 ARG 25 1HH1 ARG 25 -0.407 5.357 -6.605
187 HH12 ARG 25 2HH1 ARG 25 -1.553 5.973 -7.718
188 HH21 ARG 25 1HH2 ARG 25 0.496 8.524 -9.008
189 HH22 ARG 25 2HH2 ARG 25 -1.039 7.780 -9.072
190 H CYS 26 H CYS 26 4.080 6.992 -1.547
191 HA CYS 26 HA CYS 26 2.991 9.529 -1.804
192 HB2 CYS 26 2HB CYS 26 3.948 8.114 0.690
193 HB3 CYS 26 1HB CYS 26 2.994 9.588 0.702
194 HN1 NH2 27 HN1 NH2 27 5.892 8.895 0.182
195 HN2 NH2 27 HN2 NH2 27 6.649 10.398 -0.208