NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
18713 |
2e2f   |
6729 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 1HT ALA 1 -3.535 -8.566 -6.677
2 H2 ALA 1 2HT ALA 1 -2.185 -7.539 -6.595
3 H3 ALA 1 3HT ALA 1 -2.680 -8.179 -8.089
4 HA ALA 1 HA ALA 1 -3.304 -5.737 -7.458
5 HB1 ALA 1 3HB ALA 1 -5.535 -6.361 -8.732
6 HB2 ALA 1 1HB ALA 1 -4.809 -7.967 -8.794
7 HB3 ALA 1 2HB ALA 1 -3.977 -6.595 -9.524
8 H VAL 2 H VAL 2 -3.556 -5.730 -5.018
9 HA VAL 2 HA VAL 2 -6.413 -6.220 -4.244
10 HB VAL 2 HB VAL 2 -5.346 -6.553 -1.930
11 HG11 VAL 2 1HG1 VAL 2 -6.015 -8.583 -2.761
12 HG12 VAL 2 2HG1 VAL 2 -4.275 -8.843 -2.885
13 HG13 VAL 2 3HG1 VAL 2 -5.194 -8.338 -4.303
14 HG21 VAL 2 3HG2 VAL 2 -2.816 -7.333 -3.221
15 HG22 VAL 2 1HG2 VAL 2 -3.086 -6.494 -1.693
16 HG23 VAL 2 2HG2 VAL 2 -3.103 -5.592 -3.208
17 H ARG 3 H ARG 3 -6.259 -4.928 -1.747
18 HA ARG 3 HA ARG 3 -5.370 -2.143 -2.318
19 HB2 ARG 3 2HB ARG 3 -7.538 -1.987 -3.113
20 HB3 ARG 3 1HB ARG 3 -8.126 -3.274 -2.074
21 HG2 ARG 3 2HG ARG 3 -8.990 -1.002 -1.438
22 HG3 ARG 3 1HG ARG 3 -8.112 -1.812 -0.141
23 HD2 ARG 3 2HD ARG 3 -6.035 -0.526 -0.930
24 HD3 ARG 3 1HD ARG 3 -7.148 0.457 -1.901
25 HE ARG 3 HE ARG 3 -7.236 0.235 1.080
26 HH11 ARG 3 1HH2 ARG 3 -9.229 1.026 -1.490
27 HH12 ARG 3 2HH2 ARG 3 -9.590 2.632 -0.952
28 HH21 ARG 3 1HH1 ARG 3 -7.253 2.586 1.608
29 HH22 ARG 3 2HH1 ARG 3 -8.472 3.515 0.802
30 H ILE 4 H ILE 4 -4.277 -1.509 -0.520
31 HA ILE 4 HA ILE 4 -4.886 -2.782 2.103
32 HB ILE 4 HB ILE 4 -2.584 -1.300 0.843
33 HG12 ILE 4 2HG1 ILE 4 -2.810 -3.753 0.536
34 HG13 ILE 4 1HG1 ILE 4 -1.375 -3.344 1.479
35 HG21 ILE 4 1HG2 ILE 4 -2.347 -0.304 2.904
36 HG22 ILE 4 2HG2 ILE 4 -1.593 -1.855 3.279
37 HG23 ILE 4 3HG2 ILE 4 -3.272 -1.559 3.729
38 HD11 ILE 4 3HD1 ILE 4 -4.021 -4.394 2.498
39 HD12 ILE 4 1HD1 ILE 4 -2.804 -3.689 3.562
40 HD13 ILE 4 2HD1 ILE 4 -2.433 -5.146 2.641
41 H GLY 5 H GLY 5 -5.375 -1.477 3.933
42 HA2 GLY 5 2HA GLY 5 -6.889 0.903 3.431
43 HA3 GLY 5 1HA GLY 5 -6.421 0.314 5.022
44 HA PRO 6 HA PRO 6 -3.438 3.476 5.353
45 HB2 PRO 6 2HB PRO 6 -1.244 2.255 6.422
46 HB3 PRO 6 1HB PRO 6 -2.727 2.580 7.330
47 HG2 PRO 6 2HG PRO 6 -1.747 0.044 6.150
48 HG3 PRO 6 1HG PRO 6 -2.684 0.312 7.626
49 HD2 PRO 6 2HD PRO 6 -3.730 -0.586 5.232
50 HD3 PRO 6 1HD PRO 6 -4.670 0.185 6.525
51 H CYS 7 H CYS 7 -3.237 1.736 2.753
52 HA CYS 7 HA CYS 7 -0.368 2.165 2.122
53 HB2 CYS 7 2HB CYS 7 -2.601 0.501 1.233
54 HB3 CYS 7 1HB CYS 7 -1.716 1.198 -0.118
55 H ASP 8 H ASP 8 -3.578 3.411 1.528
56 HA ASP 8 HA ASP 8 -2.697 5.293 -0.570
57 HB2 ASP 8 2HB ASP 8 -4.946 4.349 -0.656
58 HB3 ASP 8 1HB ASP 8 -5.264 4.857 1.004
59 H GLN 9 H GLN 9 -3.073 5.069 2.871
60 HA GLN 9 HA GLN 9 -2.964 7.970 3.369
61 HB2 GLN 9 2HB GLN 9 -2.852 5.478 5.103
62 HB3 GLN 9 1HB GLN 9 -2.879 7.119 5.748
63 HG2 GLN 9 2HG GLN 9 -5.013 5.838 4.015
64 HG3 GLN 9 1HG GLN 9 -5.150 6.217 5.733
65 HE21 GLN 9 1HE2 GLN 9 -5.641 8.394 6.322
66 HE22 GLN 9 2HE2 GLN 9 -5.900 9.628 5.185
67 H VAL 10 H VAL 10 -0.845 5.104 3.812
68 HA VAL 10 HA VAL 10 1.443 6.878 4.487
69 HB VAL 10 HB VAL 10 0.736 4.556 5.504
70 HG11 VAL 10 1HG1 VAL 10 1.405 2.624 4.377
71 HG12 VAL 10 2HG1 VAL 10 2.558 3.493 3.364
72 HG13 VAL 10 3HG1 VAL 10 0.828 3.622 3.041
73 HG21 VAL 10 3HG2 VAL 10 2.716 5.559 6.315
74 HG22 VAL 10 1HG2 VAL 10 3.521 5.442 4.750
75 HG23 VAL 10 2HG2 VAL 10 3.259 3.991 5.717
76 H CYS 11 H CYS 11 -0.003 6.356 1.717
77 HA CYS 11 HA CYS 11 1.892 5.202 -0.082
78 HB2 CYS 11 2HB CYS 11 -0.666 6.076 -0.172
79 HB3 CYS 11 1HB CYS 11 0.132 7.436 -0.959
80 HA PRO 12 HA PRO 12 3.400 9.675 -0.797
81 HB2 PRO 12 2HB PRO 12 2.684 11.596 1.010
82 HB3 PRO 12 1HB PRO 12 1.713 11.205 -0.421
83 HG2 PRO 12 2HG PRO 12 1.286 10.462 2.411
84 HG3 PRO 12 1HG PRO 12 0.105 10.792 1.137
85 HD2 PRO 12 2HD PRO 12 0.834 8.277 2.038
86 HD3 PRO 12 1HD PRO 12 0.038 8.619 0.487
87 H ARG 13 H ARG 13 3.675 7.757 1.842
88 HA ARG 13 HA ARG 13 5.596 9.327 3.415
89 HB2 ARG 13 2HB ARG 13 4.607 6.461 3.417
90 HB3 ARG 13 1HB ARG 13 5.781 7.068 4.584
91 HG2 ARG 13 2HG ARG 13 2.982 8.149 4.143
92 HG3 ARG 13 1HG ARG 13 3.524 7.204 5.530
93 HD2 ARG 13 2HD ARG 13 4.118 9.146 6.536
94 HD3 ARG 13 1HD ARG 13 5.349 9.367 5.276
95 HE ARG 13 HE ARG 13 2.910 10.102 4.095
96 HH11 ARG 13 1HH2 ARG 13 4.002 10.904 7.201
97 HH12 ARG 13 2HH2 ARG 13 3.884 12.617 6.975
98 HH21 ARG 13 1HH1 ARG 13 3.121 12.388 3.601
99 HH22 ARG 13 2HH1 ARG 13 3.386 13.457 4.937
100 H ILE 14 H ILE 14 7.764 8.002 3.893
101 HA ILE 14 HA ILE 14 9.428 8.101 1.629
102 HB ILE 14 HB ILE 14 10.960 6.716 3.064
103 HG12 ILE 14 2HG1 ILE 14 8.436 6.507 4.727
104 HG13 ILE 14 1HG1 ILE 14 9.414 5.188 4.087
105 HG21 ILE 14 1HG2 ILE 14 10.226 9.273 3.373
106 HG22 ILE 14 2HG2 ILE 14 11.358 8.487 4.473
107 HG23 ILE 14 3HG2 ILE 14 9.660 8.648 4.922
108 HD11 ILE 14 3HD1 ILE 14 11.276 6.598 5.522
109 HD12 ILE 14 1HD1 ILE 14 10.391 5.202 6.138
110 HD13 ILE 14 2HD1 ILE 14 9.826 6.834 6.498
111 H VAL 15 H VAL 15 10.801 5.776 1.320
112 HA VAL 15 HA VAL 15 8.989 4.181 -0.331
113 HB VAL 15 HB VAL 15 11.933 4.096 0.350
114 HG11 VAL 15 1HG1 VAL 15 10.234 2.044 -0.803
115 HG12 VAL 15 2HG1 VAL 15 11.948 1.966 -0.394
116 HG13 VAL 15 3HG1 VAL 15 11.445 2.581 -1.969
117 HG21 VAL 15 3HG2 VAL 15 10.477 4.731 -2.236
118 HG22 VAL 15 1HG2 VAL 15 12.199 4.934 -1.913
119 HG23 VAL 15 2HG2 VAL 15 11.022 5.956 -1.089
120 HA PRO 16 HA PRO 16 10.199 0.815 2.853
121 HB2 PRO 16 2HB PRO 16 11.047 1.653 5.321
122 HB3 PRO 16 1HB PRO 16 12.154 1.301 3.979
123 HG2 PRO 16 2HG PRO 16 11.173 3.919 4.987
124 HG3 PRO 16 1HG PRO 16 12.768 3.473 4.365
125 HD2 PRO 16 2HD PRO 16 10.901 4.839 2.925
126 HD3 PRO 16 1HD PRO 16 12.160 3.825 2.189
127 H GLU 17 H GLU 17 8.417 3.632 3.274
128 HA GLU 17 HA GLU 17 6.771 2.608 5.523
129 HB2 GLU 17 2HB GLU 17 7.305 5.147 4.121
130 HB3 GLU 17 1HB GLU 17 5.609 4.915 4.544
131 HG2 GLU 17 2HG GLU 17 7.254 4.090 6.757
132 HG3 GLU 17 1HG GLU 17 7.720 5.718 6.262
133 H ARG 18 H ARG 18 6.853 2.698 2.066
134 HA ARG 18 HA ARG 18 3.949 2.098 1.814
135 HB2 ARG 18 2HB ARG 18 5.744 3.593 0.357
136 HB3 ARG 18 1HB ARG 18 5.700 2.088 -0.562
137 HG2 ARG 18 2HG ARG 18 3.326 2.225 -0.849
138 HG3 ARG 18 1HG ARG 18 3.196 3.535 0.325
139 HD2 ARG 18 2HD ARG 18 3.081 4.373 -2.029
140 HD3 ARG 18 1HD ARG 18 4.497 5.015 -1.173
141 HE ARG 18 HE ARG 18 4.832 2.494 -2.711
142 HH11 ARG 18 1HH2 ARG 18 4.635 4.728 -4.634
143 HH12 ARG 18 2HH2 ARG 18 6.267 5.299 -4.734
144 HH21 ARG 18 1HH1 ARG 18 7.280 3.716 -1.819
145 HH22 ARG 18 2HH1 ARG 18 7.765 4.725 -3.140
146 H HIS 19 H HIS 19 7.136 0.681 0.975
147 HA HIS 19 HA HIS 19 6.181 -1.775 -0.111
148 HB2 HIS 19 2HB HIS 19 8.640 -0.535 0.775
149 HB3 HIS 19 1HB HIS 19 8.607 -2.223 1.282
150 HD1 HIS 19 1HD HIS 19 7.221 -3.600 -1.004
151 HD2 HIS 19 2HD HIS 19 10.022 -0.574 -1.614
152 HE1 HIS 19 1HE HIS 19 8.098 -3.902 -3.361
153 H GLU 20 H GLU 20 6.824 -0.774 3.233
154 HA GLU 20 HA GLU 20 6.393 -3.408 4.389
155 HB2 GLU 20 2HB GLU 20 7.603 -1.158 5.185
156 HB3 GLU 20 1HB GLU 20 6.024 -0.862 5.913
157 HG2 GLU 20 2HG GLU 20 6.714 -2.162 7.627
158 HG3 GLU 20 1HG GLU 20 6.541 -3.529 6.524
159 H CYS 21 H CYS 21 4.318 -0.890 3.261
160 HA CYS 21 HA CYS 21 2.061 -1.292 5.002
161 HB2 CYS 21 2HB CYS 21 2.381 0.687 3.598
162 HB3 CYS 21 1HB CYS 21 2.327 -0.308 2.143
163 H CYS 22 H CYS 22 2.758 -2.541 1.708
164 HA CYS 22 HA CYS 22 0.417 -4.269 1.680
165 HB2 CYS 22 2HB CYS 22 2.955 -4.150 0.015
166 HB3 CYS 22 1HB CYS 22 1.530 -5.100 -0.404
167 H ARG 23 H ARG 23 3.678 -4.555 2.868
168 HA ARG 23 HA ARG 23 3.596 -7.511 2.961
169 HB2 ARG 23 2HB ARG 23 5.532 -5.365 3.041
170 HB3 ARG 23 1HB ARG 23 5.777 -6.443 4.415
171 HG2 ARG 23 2HG ARG 23 5.336 -8.235 2.386
172 HG3 ARG 23 1HG ARG 23 6.189 -6.943 1.539
173 HD2 ARG 23 2HD ARG 23 8.068 -7.079 3.038
174 HD3 ARG 23 1HD ARG 23 7.181 -8.149 4.143
175 HE ARG 23 HE ARG 23 7.305 -9.201 1.430
176 HH11 ARG 23 1HH1 ARG 23 7.460 -10.590 4.210
177 HH12 ARG 23 2HH1 ARG 23 9.051 -11.267 4.119
178 HH21 ARG 23 1HH2 ARG 23 10.004 -9.335 1.401
179 HH22 ARG 23 2HH2 ARG 23 10.493 -10.557 2.527
180 H ALA 24 H ALA 24 2.757 -4.825 4.962
181 HA ALA 24 HA ALA 24 3.033 -6.298 7.504
182 HB1 ALA 24 3HB ALA 24 2.161 -3.564 6.590
183 HB2 ALA 24 1HB ALA 24 3.498 -3.998 7.654
184 HB3 ALA 24 2HB ALA 24 1.838 -4.086 8.243
185 H HIS 25 H HIS 25 0.497 -5.381 5.217
186 HA HIS 25 HA HIS 25 -1.614 -6.463 7.008
187 HB2 HIS 25 2HB HIS 25 -1.600 -5.045 4.325
188 HB3 HIS 25 1HB HIS 25 -3.071 -5.550 5.158
189 HD1 HIS 25 1HD HIS 25 0.075 -3.574 6.073
190 HD2 HIS 25 2HD HIS 25 -4.037 -3.531 6.761
191 HE1 HIS 25 1HE HIS 25 -0.390 -1.541 7.510
192 H GLY 26 H GLY 26 0.112 -8.489 6.221
193 HA2 GLY 26 2HA GLY 26 0.261 -10.496 4.988
194 HA3 GLY 26 1HA GLY 26 -1.488 -10.506 5.214
195 H ARG 27 H ARG 27 0.488 -8.247 3.297
196 HA ARG 27 HA ARG 27 -0.994 -9.192 0.862
197 HB2 ARG 27 2HB ARG 27 -1.084 -6.725 2.217
198 HB3 ARG 27 1HB ARG 27 -0.111 -6.428 0.777
199 HG2 ARG 27 2HG ARG 27 -2.487 -6.057 0.281
200 HG3 ARG 27 1HG ARG 27 -1.887 -7.452 -0.618
201 HD2 ARG 27 2HD ARG 27 -3.181 -8.934 0.570
202 HD3 ARG 27 1HD ARG 27 -3.010 -8.022 2.082
203 HE ARG 27 HE ARG 27 -4.596 -6.750 -0.074
204 HH11 ARG 27 1HH1 ARG 27 -4.700 -8.937 2.554
205 HH12 ARG 27 2HH1 ARG 27 -6.178 -8.312 3.205
206 HH21 ARG 27 1HH2 ARG 27 -6.401 -5.718 0.915
207 HH22 ARG 27 2HH2 ARG 27 -7.142 -6.491 2.276
208 H SER 28 H SER 28 0.268 -8.159 -1.162
209 HA SER 28 HA SER 28 2.995 -9.249 -1.039
210 HB2 SER 28 2HB SER 28 1.696 -7.788 -3.339
211 HB3 SER 28 1HB SER 28 2.857 -9.110 -3.399
212 HG SER 28 HG SER 28 0.850 -9.965 -3.805
213 H GLY 29 H GLY 29 3.784 -7.211 -3.169
214 HA2 GLY 29 2HA GLY 29 4.918 -5.246 -1.287
215 HA3 GLY 29 1HA GLY 29 5.346 -5.415 -2.991
216 H TYR 30 H TYR 30 5.094 -2.988 -2.939
217 HA TYR 30 HA TYR 30 2.299 -2.015 -2.791
218 HB2 TYR 30 2HB TYR 30 3.315 0.131 -2.724
219 HB3 TYR 30 1HB TYR 30 4.439 -0.904 -1.844
220 HD1 TYR 30 1HD TYR 30 6.508 -1.753 -2.978
221 HD2 TYR 30 2HD TYR 30 3.920 1.146 -4.808
222 HE1 TYR 30 1HE TYR 30 8.301 -1.167 -4.588
223 HE2 TYR 30 2HE TYR 30 5.713 1.731 -6.418
224 HH TYR 30 HH TYR 30 7.705 0.926 -7.320
225 H ALA 31 H ALA 31 1.073 -1.662 -4.613
226 HA ALA 31 HA ALA 31 2.305 -2.219 -7.262
227 HB1 ALA 31 3HB ALA 31 0.006 -3.046 -6.103
228 HB2 ALA 31 1HB ALA 31 0.183 -2.890 -7.851
229 HB3 ALA 31 2HB ALA 31 -0.587 -1.602 -6.923
230 H TYR 32 H TYR 32 -0.123 0.102 -6.042
231 HA TYR 32 HA TYR 32 1.254 2.453 -6.990
232 HB2 TYR 32 2HB TYR 32 -0.447 2.712 -8.957
233 HB3 TYR 32 1HB TYR 32 0.925 1.626 -9.179
234 HD1 TYR 32 1HD TYR 32 -2.635 1.659 -8.019
235 HD2 TYR 32 2HD TYR 32 0.563 -0.645 -9.728
236 HE1 TYR 32 1HE TYR 32 -4.198 -0.224 -8.398
237 HE2 TYR 32 2HE TYR 32 -1.002 -2.527 -10.110
238 HH TYR 32 HH TYR 32 -3.555 -3.107 -8.711
239 H CYS 33 H CYS 33 -0.076 4.378 -6.675
240 HA CYS 33 HA CYS 33 -2.390 3.886 -4.862
241 HB2 CYS 33 2HB CYS 33 -0.182 5.694 -5.016
242 HB3 CYS 33 1HB CYS 33 -1.662 6.644 -5.139
243 H SER 34 H SER 34 -4.322 3.828 -5.939
244 HA SER 34 HA SER 34 -4.732 5.742 -8.213
245 HB2 SER 34 2HB SER 34 -5.345 3.889 -9.348
246 HB3 SER 34 1HB SER 34 -5.027 2.909 -7.920
247 HG SER 34 HG SER 34 -7.381 3.669 -9.011
248 H GLY 35 H GLY 35 -6.407 7.194 -7.991
249 HA2 GLY 35 2HA GLY 35 -8.127 8.391 -6.930
250 HA3 GLY 35 1HA GLY 35 -8.862 6.806 -6.693
251 H GLY 36 H GLY 36 -9.637 7.452 -4.594
252 HA2 GLY 36 2HA GLY 36 -7.677 8.217 -2.541
253 HA3 GLY 36 1HA GLY 36 -9.411 8.010 -2.291
254 H GLY 37 H GLY 37 -7.043 5.722 -3.660
255 HA2 GLY 37 2HA GLY 37 -7.003 4.069 -1.272
256 HA3 GLY 37 1HA GLY 37 -8.045 3.397 -2.527
257 H MET 38 H MET 38 -5.262 2.662 -1.385
258 HA MET 38 HA MET 38 -3.685 2.728 -3.917
259 HB2 MET 38 2HB MET 38 -2.552 3.509 -1.933
260 HB3 MET 38 1HB MET 38 -3.062 2.089 -1.021
261 HG2 MET 38 2HG MET 38 -1.616 0.652 -2.225
262 HG3 MET 38 1HG MET 38 -1.390 1.828 -3.520
263 HE1 MET 38 3HE MET 38 1.930 2.995 -2.777
264 HE2 MET 38 1HE MET 38 0.527 2.936 -3.851
265 HE3 MET 38 2HE MET 38 1.309 1.443 -3.338
266 H TYR 39 H TYR 39 -2.506 0.634 -4.424
267 HA TYR 39 HA TYR 39 -4.065 -1.787 -3.611
268 HB2 TYR 39 2HB TYR 39 -3.226 -0.953 -6.408
269 HB3 TYR 39 1HB TYR 39 -4.080 -2.441 -5.996
270 HD1 TYR 39 2HD TYR 39 -4.333 1.263 -6.046
271 HD2 TYR 39 1HD TYR 39 -6.428 -2.451 -5.534
272 HE1 TYR 39 2HE TYR 39 -6.497 2.469 -6.141
273 HE2 TYR 39 1HE TYR 39 -8.590 -1.246 -5.628
274 HH TYR 39 HH TYR 39 -9.043 1.620 -6.858
275 H CYS 40 H CYS 40 -2.802 -3.699 -3.538
276 HA CYS 40 HA CYS 40 0.155 -3.244 -3.782
277 HB2 CYS 40 2HB CYS 40 -1.475 -5.267 -2.208
278 HB3 CYS 40 1HB CYS 40 0.281 -5.127 -2.163
279 H ASN 41 H ASN 41 1.398 -5.236 -4.492
280 HA ASN 41 HA ASN 41 0.437 -6.219 -7.011
281 HB2 ASN 41 2HB ASN 41 2.710 -6.726 -5.130
282 HB3 ASN 41 1HB ASN 41 2.445 -7.885 -6.433
283 HD21 ASN 41 1HD2 ASN 41 4.220 -5.184 -5.766
284 HD22 ASN 41 2HD2 ASN 41 4.349 -4.524 -7.325
Start of MODEL 2
1 H1 ALA 1 1HT ALA 1 -2.598 -8.171 -8.098
2 H2 ALA 1 2HT ALA 1 -3.300 -8.632 -6.621
3 H3 ALA 1 3HT ALA 1 -2.138 -7.392 -6.663
4 HA ALA 1 HA ALA 1 -3.594 -5.861 -7.615
5 HB1 ALA 1 3HB ALA 1 -4.189 -7.448 -9.420
6 HB2 ALA 1 1HB ALA 1 -5.630 -6.662 -8.775
7 HB3 ALA 1 2HB ALA 1 -5.244 -8.316 -8.304
8 H VAL 2 H VAL 2 -3.569 -5.567 -5.195
9 HA VAL 2 HA VAL 2 -6.236 -6.279 -4.030
10 HB VAL 2 HB VAL 2 -4.847 -6.484 -1.848
11 HG11 VAL 2 1HG1 VAL 2 -5.151 -8.693 -2.178
12 HG12 VAL 2 2HG1 VAL 2 -3.920 -8.726 -3.441
13 HG13 VAL 2 3HG1 VAL 2 -5.587 -8.314 -3.845
14 HG21 VAL 2 3HG2 VAL 2 -2.572 -7.257 -3.612
15 HG22 VAL 2 1HG2 VAL 2 -2.552 -6.606 -1.973
16 HG23 VAL 2 2HG2 VAL 2 -2.819 -5.532 -3.345
17 H ARG 3 H ARG 3 -6.082 -4.937 -1.668
18 HA ARG 3 HA ARG 3 -5.188 -2.152 -2.227
19 HB2 ARG 3 2HB ARG 3 -7.349 -2.014 -3.071
20 HB3 ARG 3 1HB ARG 3 -7.961 -3.265 -2.002
21 HG2 ARG 3 2HG ARG 3 -8.773 -0.925 -1.464
22 HG3 ARG 3 1HG ARG 3 -7.997 -1.765 -0.124
23 HD2 ARG 3 2HD ARG 3 -5.813 -0.582 -0.985
24 HD3 ARG 3 1HD ARG 3 -6.954 0.528 -1.768
25 HE ARG 3 HE ARG 3 -7.028 -0.068 1.171
26 HH11 ARG 3 1HH1 ARG 3 -9.066 1.435 -0.811
27 HH12 ARG 3 2HH1 ARG 3 -8.829 3.049 -0.230
28 HH21 ARG 3 1HH2 ARG 3 -5.997 2.258 1.605
29 HH22 ARG 3 2HH2 ARG 3 -7.093 3.515 1.138
30 H ILE 4 H ILE 4 -4.153 -1.495 -0.391
31 HA ILE 4 HA ILE 4 -4.843 -2.776 2.213
32 HB ILE 4 HB ILE 4 -2.464 -1.395 0.997
33 HG12 ILE 4 2HG1 ILE 4 -2.791 -3.864 0.805
34 HG13 ILE 4 1HG1 ILE 4 -1.335 -3.443 1.711
35 HG21 ILE 4 1HG2 ILE 4 -2.258 -0.316 3.024
36 HG22 ILE 4 2HG2 ILE 4 -1.550 -1.867 3.478
37 HG23 ILE 4 3HG2 ILE 4 -3.231 -1.516 3.873
38 HD11 ILE 4 3HD1 ILE 4 -4.005 -4.328 2.834
39 HD12 ILE 4 1HD1 ILE 4 -2.712 -3.657 3.828
40 HD13 ILE 4 2HD1 ILE 4 -2.460 -5.169 2.955
41 H GLY 5 H GLY 5 -5.371 -1.469 4.019
42 HA2 GLY 5 2HA GLY 5 -6.820 0.934 3.506
43 HA3 GLY 5 1HA GLY 5 -6.352 0.360 5.103
44 HA PRO 6 HA PRO 6 -3.349 3.502 5.387
45 HB2 PRO 6 2HB PRO 6 -1.188 2.280 6.519
46 HB3 PRO 6 1HB PRO 6 -2.679 2.655 7.394
47 HG2 PRO 6 2HG PRO 6 -1.721 0.070 6.303
48 HG3 PRO 6 1HG PRO 6 -2.675 0.395 7.758
49 HD2 PRO 6 2HD PRO 6 -3.702 -0.556 5.376
50 HD3 PRO 6 1HD PRO 6 -4.646 0.268 6.631
51 H CYS 7 H CYS 7 -3.136 1.712 2.825
52 HA CYS 7 HA CYS 7 -0.249 2.090 2.240
53 HB2 CYS 7 2HB CYS 7 -2.479 0.428 1.334
54 HB3 CYS 7 1HB CYS 7 -1.562 1.100 -0.011
55 H ASP 8 H ASP 8 -3.438 3.343 1.539
56 HA ASP 8 HA ASP 8 -2.474 5.196 -0.550
57 HB2 ASP 8 2HB ASP 8 -4.876 3.984 0.065
58 HB3 ASP 8 1HB ASP 8 -5.109 5.598 0.736
59 H GLN 9 H GLN 9 -3.108 5.035 2.874
60 HA GLN 9 HA GLN 9 -3.017 7.923 3.359
61 HB2 GLN 9 2HB GLN 9 -2.885 5.433 5.093
62 HB3 GLN 9 1HB GLN 9 -2.932 7.071 5.747
63 HG2 GLN 9 2HG GLN 9 -5.028 7.222 4.058
64 HG3 GLN 9 1HG GLN 9 -5.082 5.498 4.427
65 HE21 GLN 9 1HE2 GLN 9 -4.292 8.402 6.431
66 HE22 GLN 9 2HE2 GLN 9 -5.394 8.025 7.666
67 H VAL 10 H VAL 10 -0.828 5.120 3.801
68 HA VAL 10 HA VAL 10 1.405 6.938 4.543
69 HB VAL 10 HB VAL 10 0.740 4.573 5.494
70 HG11 VAL 10 1HG1 VAL 10 0.828 3.645 3.074
71 HG12 VAL 10 2HG1 VAL 10 1.581 2.686 4.349
72 HG13 VAL 10 3HG1 VAL 10 2.580 3.670 3.281
73 HG21 VAL 10 3HG2 VAL 10 2.664 5.446 6.443
74 HG22 VAL 10 1HG2 VAL 10 3.445 5.699 4.882
75 HG23 VAL 10 2HG2 VAL 10 3.357 4.078 5.573
76 H CYS 11 H CYS 11 -0.000 6.418 1.737
77 HA CYS 11 HA CYS 11 1.966 5.365 -0.050
78 HB2 CYS 11 2HB CYS 11 -0.610 6.052 -0.205
79 HB3 CYS 11 1HB CYS 11 0.076 7.538 -0.858
80 HA PRO 12 HA PRO 12 3.316 9.906 -0.657
81 HB2 PRO 12 2HB PRO 12 2.523 11.757 1.190
82 HB3 PRO 12 1HB PRO 12 1.574 11.367 -0.258
83 HG2 PRO 12 2HG PRO 12 1.153 10.549 2.555
84 HG3 PRO 12 1HG PRO 12 -0.028 10.858 1.276
85 HD2 PRO 12 2HD PRO 12 0.797 8.356 2.139
86 HD3 PRO 12 1HD PRO 12 -0.015 8.697 0.597
87 H ARG 13 H ARG 13 3.620 7.946 1.958
88 HA ARG 13 HA ARG 13 5.495 9.545 3.561
89 HB2 ARG 13 2HB ARG 13 4.573 6.657 3.540
90 HB3 ARG 13 1HB ARG 13 5.715 7.292 4.725
91 HG2 ARG 13 2HG ARG 13 2.872 8.230 4.262
92 HG3 ARG 13 1HG ARG 13 3.494 7.402 5.689
93 HD2 ARG 13 2HD ARG 13 5.209 9.568 5.460
94 HD3 ARG 13 1HD ARG 13 3.638 10.250 4.995
95 HE ARG 13 HE ARG 13 2.803 8.990 7.136
96 HH11 ARG 13 1HH2 ARG 13 6.044 8.764 7.307
97 HH12 ARG 13 2HH2 ARG 13 6.269 9.767 8.700
98 HH21 ARG 13 1HH1 ARG 13 3.025 10.992 8.673
99 HH22 ARG 13 2HH1 ARG 13 4.560 11.029 9.473
100 H ILE 14 H ILE 14 7.634 8.078 4.086
101 HA ILE 14 HA ILE 14 9.385 8.323 1.894
102 HB ILE 14 HB ILE 14 10.838 6.801 3.280
103 HG12 ILE 14 2HG1 ILE 14 8.313 6.618 4.957
104 HG13 ILE 14 1HG1 ILE 14 9.097 5.288 4.106
105 HG21 ILE 14 1HG2 ILE 14 11.297 8.676 4.428
106 HG22 ILE 14 2HG2 ILE 14 9.861 8.442 5.424
107 HG23 ILE 14 3HG2 ILE 14 9.748 9.345 3.914
108 HD11 ILE 14 3HD1 ILE 14 9.807 5.157 6.398
109 HD12 ILE 14 1HD1 ILE 14 10.188 6.878 6.438
110 HD13 ILE 14 2HD1 ILE 14 11.175 5.778 5.476
111 H VAL 15 H VAL 15 10.727 5.945 1.535
112 HA VAL 15 HA VAL 15 8.962 4.541 -0.333
113 HB VAL 15 HB VAL 15 11.863 4.309 0.494
114 HG11 VAL 15 1HG1 VAL 15 11.901 2.905 -1.717
115 HG12 VAL 15 2HG1 VAL 15 10.190 2.647 -1.376
116 HG13 VAL 15 3HG1 VAL 15 11.409 2.122 -0.215
117 HG21 VAL 15 3HG2 VAL 15 11.269 4.921 -2.280
118 HG22 VAL 15 1HG2 VAL 15 12.211 5.852 -1.116
119 HG23 VAL 15 2HG2 VAL 15 10.463 6.063 -1.206
120 HA PRO 16 HA PRO 16 9.888 0.945 2.686
121 HB2 PRO 16 2HB PRO 16 10.639 1.590 5.239
122 HB3 PRO 16 1HB PRO 16 11.798 1.295 3.927
123 HG2 PRO 16 2HG PRO 16 10.868 3.861 5.088
124 HG3 PRO 16 1HG PRO 16 12.461 3.412 4.466
125 HD2 PRO 16 2HD PRO 16 10.634 4.936 3.104
126 HD3 PRO 16 1HD PRO 16 11.928 3.996 2.331
127 H GLU 17 H GLU 17 8.210 3.829 3.345
128 HA GLU 17 HA GLU 17 6.454 2.716 5.436
129 HB2 GLU 17 2HB GLU 17 7.153 5.266 4.278
130 HB3 GLU 17 1HB GLU 17 5.401 5.072 4.246
131 HG2 GLU 17 2HG GLU 17 6.132 6.096 6.368
132 HG3 GLU 17 1HG GLU 17 5.412 4.511 6.647
133 H ARG 18 H ARG 18 6.690 2.626 2.034
134 HA ARG 18 HA ARG 18 3.772 2.035 1.719
135 HB2 ARG 18 2HB ARG 18 5.540 3.693 0.354
136 HB3 ARG 18 1HB ARG 18 5.439 2.269 -0.683
137 HG2 ARG 18 2HG ARG 18 3.106 2.485 -0.957
138 HG3 ARG 18 1HG ARG 18 2.951 3.546 0.444
139 HD2 ARG 18 2HD ARG 18 2.783 4.810 -1.707
140 HD3 ARG 18 1HD ARG 18 4.192 5.321 -0.757
141 HE ARG 18 HE ARG 18 4.879 3.110 -2.482
142 HH11 ARG 18 1HH1 ARG 18 3.860 6.380 -2.712
143 HH12 ARG 18 2HH1 ARG 18 4.999 6.795 -3.948
144 HH21 ARG 18 1HH2 ARG 18 6.527 3.682 -3.957
145 HH22 ARG 18 2HH2 ARG 18 6.509 5.268 -4.654
146 H HIS 19 H HIS 19 6.954 0.936 0.459
147 HA HIS 19 HA HIS 19 6.131 -1.512 -0.667
148 HB2 HIS 19 2HB HIS 19 8.592 -0.266 0.396
149 HB3 HIS 19 1HB HIS 19 8.635 -2.028 0.325
150 HD1 HIS 19 1HD HIS 19 7.321 -2.796 -2.178
151 HD2 HIS 19 2HD HIS 19 9.611 0.682 -1.977
152 HE1 HIS 19 1HE HIS 19 7.984 -2.237 -4.558
153 H GLU 20 H GLU 20 6.759 -0.685 2.713
154 HA GLU 20 HA GLU 20 6.578 -3.478 3.617
155 HB2 GLU 20 2HB GLU 20 8.064 -1.958 4.753
156 HB3 GLU 20 1HB GLU 20 6.778 -0.769 4.962
157 HG2 GLU 20 2HG GLU 20 6.043 -1.772 6.842
158 HG3 GLU 20 1HG GLU 20 6.023 -3.355 6.062
159 H CYS 21 H CYS 21 4.434 -0.748 3.188
160 HA CYS 21 HA CYS 21 2.363 -1.405 5.027
161 HB2 CYS 21 2HB CYS 21 2.409 0.709 3.891
162 HB3 CYS 21 1HB CYS 21 2.437 -0.070 2.310
163 H CYS 22 H CYS 22 3.119 -2.685 1.813
164 HA CYS 22 HA CYS 22 0.615 -4.140 1.516
165 HB2 CYS 22 2HB CYS 22 3.330 -4.204 0.176
166 HB3 CYS 22 1HB CYS 22 1.978 -5.203 -0.359
167 H ARG 23 H ARG 23 3.843 -4.902 2.770
168 HA ARG 23 HA ARG 23 3.155 -7.758 3.104
169 HB2 ARG 23 2HB ARG 23 5.584 -6.089 3.837
170 HB3 ARG 23 1HB ARG 23 5.502 -7.850 3.921
171 HG2 ARG 23 2HG ARG 23 5.310 -8.068 1.571
172 HG3 ARG 23 1HG ARG 23 4.891 -6.367 1.364
173 HD2 ARG 23 2HD ARG 23 7.309 -6.059 2.524
174 HD3 ARG 23 1HD ARG 23 7.570 -7.620 1.720
175 HE ARG 23 HE ARG 23 6.425 -5.308 0.207
176 HH11 ARG 23 1HH1 ARG 23 9.497 -6.038 0.720
177 HH12 ARG 23 2HH1 ARG 23 9.880 -6.652 -0.854
178 HH21 ARG 23 1HH2 ARG 23 6.569 -6.878 -1.861
179 HH22 ARG 23 2HH2 ARG 23 8.223 -7.128 -2.315
180 H ALA 24 H ALA 24 2.720 -4.884 4.852
181 HA ALA 24 HA ALA 24 3.040 -6.068 7.532
182 HB1 ALA 24 3HB ALA 24 3.387 -3.863 7.887
183 HB2 ALA 24 1HB ALA 24 1.662 -3.606 7.628
184 HB3 ALA 24 2HB ALA 24 2.786 -3.470 6.276
185 H HIS 25 H HIS 25 0.568 -5.813 5.142
186 HA HIS 25 HA HIS 25 -1.531 -6.464 7.185
187 HB2 HIS 25 2HB HIS 25 -1.474 -4.944 4.593
188 HB3 HIS 25 1HB HIS 25 -2.986 -5.675 5.128
189 HD1 HIS 25 1HD HIS 25 -0.526 -2.981 5.990
190 HD2 HIS 25 2HD HIS 25 -4.100 -4.516 7.491
191 HE1 HIS 25 1HE HIS 25 -1.339 -1.332 7.731
192 H GLY 26 H GLY 26 0.261 -8.466 6.080
193 HA2 GLY 26 2HA GLY 26 0.208 -10.534 4.963
194 HA3 GLY 26 1HA GLY 26 -1.505 -10.529 5.389
195 H ARG 27 H ARG 27 -0.033 -8.087 3.329
196 HA ARG 27 HA ARG 27 -1.778 -9.038 1.094
197 HB2 ARG 27 2HB ARG 27 -1.407 -6.581 2.353
198 HB3 ARG 27 1HB ARG 27 -0.500 -6.419 0.849
199 HG2 ARG 27 2HG ARG 27 -2.687 -5.747 0.260
200 HG3 ARG 27 1HG ARG 27 -2.598 -7.421 -0.289
201 HD2 ARG 27 2HD ARG 27 -3.426 -7.439 2.457
202 HD3 ARG 27 1HD ARG 27 -4.459 -6.305 1.563
203 HE ARG 27 HE ARG 27 -4.518 -8.289 -0.184
204 HH11 ARG 27 1HH2 ARG 27 -6.277 -8.109 2.450
205 HH12 ARG 27 2HH2 ARG 27 -6.295 -9.787 2.876
206 HH21 ARG 27 1HH1 ARG 27 -3.730 -10.640 0.704
207 HH22 ARG 27 2HH1 ARG 27 -4.853 -11.221 1.889
208 H SER 28 H SER 28 -0.571 -7.883 -1.056
209 HA SER 28 HA SER 28 1.803 -9.569 -1.447
210 HB2 SER 28 2HB SER 28 0.448 -7.556 -3.267
211 HB3 SER 28 1HB SER 28 1.525 -8.859 -3.761
212 HG SER 28 HG SER 28 -1.122 -8.941 -2.855
213 H GLY 29 H GLY 29 2.665 -7.280 -3.429
214 HA2 GLY 29 2HA GLY 29 4.320 -5.844 -1.398
215 HA3 GLY 29 1HA GLY 29 4.833 -6.159 -3.056
216 H TYR 30 H TYR 30 5.155 -3.655 -2.631
217 HA TYR 30 HA TYR 30 2.849 -1.926 -2.730
218 HB2 TYR 30 2HB TYR 30 4.848 -0.970 -1.964
219 HB3 TYR 30 1HB TYR 30 5.810 -1.734 -3.228
220 HD1 TYR 30 2HD TYR 30 2.598 0.053 -3.758
221 HD2 TYR 30 1HD TYR 30 6.874 0.218 -4.132
222 HE1 TYR 30 2HE TYR 30 2.399 2.094 -5.154
223 HE2 TYR 30 1HE TYR 30 6.674 2.258 -5.528
224 HH TYR 30 HH TYR 30 4.374 3.171 -7.127
225 H ALA 31 H ALA 31 1.557 -1.481 -4.475
226 HA ALA 31 HA ALA 31 2.522 -2.313 -7.190
227 HB1 ALA 31 3HB ALA 31 -0.302 -1.673 -6.943
228 HB2 ALA 31 1HB ALA 31 0.185 -2.846 -5.719
229 HB3 ALA 31 2HB ALA 31 0.450 -3.192 -7.428
230 H TYR 32 H TYR 32 0.088 -0.002 -5.984
231 HA TYR 32 HA TYR 32 1.430 2.367 -6.941
232 HB2 TYR 32 2HB TYR 32 -0.216 2.544 -8.959
233 HB3 TYR 32 1HB TYR 32 1.174 1.469 -9.117
234 HD1 TYR 32 1HD TYR 32 -2.422 1.503 -8.085
235 HD2 TYR 32 2HD TYR 32 0.861 -0.838 -9.571
236 HE1 TYR 32 1HE TYR 32 -3.953 -0.409 -8.448
237 HE2 TYR 32 2HE TYR 32 -0.675 -2.748 -9.937
238 HH TYR 32 HH TYR 32 -3.829 -2.847 -8.646
239 H CYS 33 H CYS 33 0.146 4.248 -6.514
240 HA CYS 33 HA CYS 33 -2.234 3.768 -4.814
241 HB2 CYS 33 2HB CYS 33 -0.098 5.678 -5.073
242 HB3 CYS 33 1HB CYS 33 -1.637 6.531 -5.184
243 H SER 34 H SER 34 -4.223 3.736 -5.809
244 HA SER 34 HA SER 34 -4.674 5.596 -8.116
245 HB2 SER 34 2HB SER 34 -4.470 3.621 -9.283
246 HB3 SER 34 1HB SER 34 -4.898 2.633 -7.887
247 HG SER 34 HG SER 34 -6.863 2.625 -8.605
248 H GLY 35 H GLY 35 -6.682 6.607 -8.079
249 HA2 GLY 35 2HA GLY 35 -8.774 7.276 -7.257
250 HA3 GLY 35 1HA GLY 35 -9.020 5.590 -6.799
251 H GLY 36 H GLY 36 -10.049 6.384 -4.823
252 HA2 GLY 36 2HA GLY 36 -8.365 7.849 -2.904
253 HA3 GLY 36 1HA GLY 36 -10.028 7.323 -2.633
254 H GLY 37 H GLY 37 -7.203 5.406 -3.646
255 HA2 GLY 37 2HA GLY 37 -6.743 4.198 -1.085
256 HA3 GLY 37 1HA GLY 37 -7.800 3.162 -2.047
257 H MET 38 H MET 38 -5.015 2.639 -1.218
258 HA MET 38 HA MET 38 -3.536 2.773 -3.800
259 HB2 MET 38 2HB MET 38 -2.344 3.511 -1.842
260 HB3 MET 38 1HB MET 38 -2.830 2.077 -0.938
261 HG2 MET 38 2HG MET 38 -1.427 0.655 -2.226
262 HG3 MET 38 1HG MET 38 -1.199 1.881 -3.473
263 HE1 MET 38 3HE MET 38 1.651 1.915 -3.366
264 HE2 MET 38 1HE MET 38 1.801 3.569 -2.757
265 HE3 MET 38 2HE MET 38 0.441 3.125 -3.785
266 H TYR 39 H TYR 39 -2.307 0.693 -4.363
267 HA TYR 39 HA TYR 39 -3.903 -1.742 -3.654
268 HB2 TYR 39 2HB TYR 39 -2.936 -0.747 -6.352
269 HB3 TYR 39 1HB TYR 39 -3.608 -2.357 -6.088
270 HD1 TYR 39 2HD TYR 39 -4.390 1.254 -5.451
271 HD2 TYR 39 1HD TYR 39 -5.915 -2.677 -6.271
272 HE1 TYR 39 2HE TYR 39 -6.682 2.178 -5.612
273 HE2 TYR 39 1HE TYR 39 -8.209 -1.753 -6.431
274 HH TYR 39 HH TYR 39 -9.104 1.158 -5.269
275 H CYS 40 H CYS 40 -2.662 -3.647 -3.472
276 HA CYS 40 HA CYS 40 0.306 -3.225 -3.525
277 HB2 CYS 40 2HB CYS 40 -1.570 -4.996 -1.948
278 HB3 CYS 40 1HB CYS 40 0.174 -5.261 -1.953
279 H ASN 41 H ASN 41 1.364 -4.249 -5.167
280 HA ASN 41 HA ASN 41 0.171 -5.927 -7.106
281 HB2 ASN 41 2HB ASN 41 2.573 -4.668 -6.683
282 HB3 ASN 41 1HB ASN 41 3.034 -6.363 -6.520
283 HD21 ASN 41 1HD2 ASN 41 2.743 -7.771 -8.401
284 HD22 ASN 41 2HD2 ASN 41 2.492 -7.125 -9.951
Start of MODEL 3
1 H1 ALA 1 1HT ALA 1 -5.110 -8.952 -7.957
2 H2 ALA 1 2HT ALA 1 -4.128 -8.676 -6.598
3 H3 ALA 1 3HT ALA 1 -3.554 -8.307 -8.154
4 HA ALA 1 HA ALA 1 -4.168 -6.212 -7.537
5 HB1 ALA 1 3HB ALA 1 -6.427 -7.781 -8.731
6 HB2 ALA 1 1HB ALA 1 -5.453 -6.501 -9.456
7 HB3 ALA 1 2HB ALA 1 -6.715 -6.096 -8.293
8 H VAL 2 H VAL 2 -4.044 -5.906 -5.271
9 HA VAL 2 HA VAL 2 -6.610 -6.337 -3.774
10 HB VAL 2 HB VAL 2 -4.976 -6.594 -1.793
11 HG11 VAL 2 1HG1 VAL 2 -4.247 -8.958 -2.884
12 HG12 VAL 2 2HG1 VAL 2 -5.505 -8.484 -4.025
13 HG13 VAL 2 3HG1 VAL 2 -5.882 -8.635 -2.308
14 HG21 VAL 2 3HG2 VAL 2 -2.691 -7.269 -2.406
15 HG22 VAL 2 1HG2 VAL 2 -3.017 -5.633 -2.981
16 HG23 VAL 2 2HG2 VAL 2 -3.053 -6.988 -4.109
17 H ARG 3 H ARG 3 -6.366 -4.884 -1.608
18 HA ARG 3 HA ARG 3 -5.124 -2.255 -2.225
19 HB2 ARG 3 2HB ARG 3 -7.343 -2.198 -3.243
20 HB3 ARG 3 1HB ARG 3 -8.072 -2.762 -1.739
21 HG2 ARG 3 2HG ARG 3 -6.378 -0.318 -1.565
22 HG3 ARG 3 1HG ARG 3 -7.936 -0.148 -2.372
23 HD2 ARG 3 2HD ARG 3 -9.121 -0.950 -0.429
24 HD3 ARG 3 1HD ARG 3 -7.605 -1.429 0.349
25 HE ARG 3 HE ARG 3 -7.271 0.828 0.962
26 HH11 ARG 3 1HH1 ARG 3 -9.514 0.524 -1.651
27 HH12 ARG 3 2HH1 ARG 3 -9.924 2.207 -1.663
28 HH21 ARG 3 1HH2 ARG 3 -7.816 3.018 0.965
29 HH22 ARG 3 2HH2 ARG 3 -8.965 3.616 -0.185
30 H ILE 4 H ILE 4 -4.279 -1.401 -0.395
31 HA ILE 4 HA ILE 4 -5.089 -2.594 2.224
32 HB ILE 4 HB ILE 4 -2.606 -1.310 1.089
33 HG12 ILE 4 2HG1 ILE 4 -2.984 -3.751 0.813
34 HG13 ILE 4 1HG1 ILE 4 -1.585 -3.410 1.834
35 HG21 ILE 4 1HG2 ILE 4 -2.560 -0.259 3.165
36 HG22 ILE 4 2HG2 ILE 4 -1.768 -1.786 3.551
37 HG23 ILE 4 3HG2 ILE 4 -3.468 -1.549 3.951
38 HD11 ILE 4 3HD1 ILE 4 -2.695 -5.018 3.107
39 HD12 ILE 4 1HD1 ILE 4 -4.290 -4.444 2.623
40 HD13 ILE 4 2HD1 ILE 4 -3.339 -3.525 3.790
41 H GLY 5 H GLY 5 -5.380 -1.107 4.037
42 HA2 GLY 5 2HA GLY 5 -6.765 1.326 3.286
43 HA3 GLY 5 1HA GLY 5 -6.469 0.779 4.930
44 HA PRO 6 HA PRO 6 -3.249 3.693 5.371
45 HB2 PRO 6 2HB PRO 6 -1.212 2.336 6.576
46 HB3 PRO 6 1HB PRO 6 -2.709 2.801 7.398
47 HG2 PRO 6 2HG PRO 6 -1.876 0.164 6.322
48 HG3 PRO 6 1HG PRO 6 -2.852 0.540 7.749
49 HD2 PRO 6 2HD PRO 6 -3.866 -0.337 5.336
50 HD3 PRO 6 1HD PRO 6 -4.793 0.554 6.562
51 H CYS 7 H CYS 7 -3.025 1.732 2.881
52 HA CYS 7 HA CYS 7 -0.123 2.040 2.337
53 HB2 CYS 7 2HB CYS 7 -2.433 0.464 1.387
54 HB3 CYS 7 1HB CYS 7 -1.304 0.936 0.124
55 H ASP 8 H ASP 8 -3.261 3.346 1.595
56 HA ASP 8 HA ASP 8 -2.257 5.069 -0.598
57 HB2 ASP 8 2HB ASP 8 -4.592 5.658 -0.809
58 HB3 ASP 8 1HB ASP 8 -4.552 3.925 -0.484
59 H GLN 9 H GLN 9 -3.067 5.091 2.806
60 HA GLN 9 HA GLN 9 -2.967 7.990 3.152
61 HB2 GLN 9 2HB GLN 9 -4.159 6.137 4.541
62 HB3 GLN 9 1HB GLN 9 -2.576 5.869 5.269
63 HG2 GLN 9 2HG GLN 9 -3.305 8.705 5.136
64 HG3 GLN 9 1HG GLN 9 -4.422 7.750 6.113
65 HE21 GLN 9 1HE2 GLN 9 -1.640 9.532 6.400
66 HE22 GLN 9 2HE2 GLN 9 -0.932 8.744 7.727
67 H VAL 10 H VAL 10 -0.779 5.219 3.787
68 HA VAL 10 HA VAL 10 1.419 7.093 4.498
69 HB VAL 10 HB VAL 10 0.752 4.764 5.537
70 HG11 VAL 10 1HG1 VAL 10 2.735 3.691 3.570
71 HG12 VAL 10 2HG1 VAL 10 1.052 3.824 3.059
72 HG13 VAL 10 3HG1 VAL 10 1.473 2.843 4.464
73 HG21 VAL 10 3HG2 VAL 10 2.635 5.753 6.482
74 HG22 VAL 10 1HG2 VAL 10 3.478 5.865 4.937
75 HG23 VAL 10 2HG2 VAL 10 3.349 4.311 5.762
76 H CYS 11 H CYS 11 0.088 6.425 1.690
77 HA CYS 11 HA CYS 11 2.103 5.316 -0.005
78 HB2 CYS 11 2HB CYS 11 -0.480 5.958 -0.234
79 HB3 CYS 11 1HB CYS 11 0.197 7.421 -0.947
80 HA PRO 12 HA PRO 12 3.376 9.849 -0.831
81 HB2 PRO 12 2HB PRO 12 2.585 11.762 0.953
82 HB3 PRO 12 1HB PRO 12 1.628 11.309 -0.470
83 HG2 PRO 12 2HG PRO 12 1.246 10.578 2.375
84 HG3 PRO 12 1HG PRO 12 0.046 10.853 1.105
85 HD2 PRO 12 2HD PRO 12 0.864 8.377 2.018
86 HD3 PRO 12 1HD PRO 12 0.070 8.677 0.458
87 H ARG 13 H ARG 13 3.701 8.020 1.893
88 HA ARG 13 HA ARG 13 5.635 9.704 3.341
89 HB2 ARG 13 2HB ARG 13 4.541 6.896 3.578
90 HB3 ARG 13 1HB ARG 13 5.842 7.467 4.622
91 HG2 ARG 13 2HG ARG 13 3.821 9.483 4.566
92 HG3 ARG 13 1HG ARG 13 3.035 7.937 4.888
93 HD2 ARG 13 2HD ARG 13 5.018 7.594 6.590
94 HD3 ARG 13 1HD ARG 13 5.125 9.364 6.511
95 HE ARG 13 HE ARG 13 2.380 8.498 6.802
96 HH11 ARG 13 1HH2 ARG 13 4.379 7.231 8.910
97 HH12 ARG 13 2HH2 ARG 13 4.070 8.291 10.245
98 HH21 ARG 13 1HH1 ARG 13 2.390 10.644 8.332
99 HH22 ARG 13 2HH1 ARG 13 2.944 10.224 9.918
100 H ILE 14 H ILE 14 7.777 8.324 3.918
101 HA ILE 14 HA ILE 14 9.449 8.287 1.656
102 HB ILE 14 HB ILE 14 10.946 6.945 3.156
103 HG12 ILE 14 2HG1 ILE 14 8.414 6.837 4.819
104 HG13 ILE 14 1HG1 ILE 14 9.353 5.475 4.209
105 HG21 ILE 14 1HG2 ILE 14 11.238 8.681 4.734
106 HG22 ILE 14 2HG2 ILE 14 9.518 9.072 4.746
107 HG23 ILE 14 3HG2 ILE 14 10.505 9.475 3.340
108 HD11 ILE 14 3HD1 ILE 14 9.856 7.217 6.552
109 HD12 ILE 14 1HD1 ILE 14 11.276 6.809 5.589
110 HD13 ILE 14 2HD1 ILE 14 10.288 5.527 6.290
111 H VAL 15 H VAL 15 10.765 5.912 1.472
112 HA VAL 15 HA VAL 15 8.908 4.277 -0.100
113 HB VAL 15 HB VAL 15 11.864 4.221 0.528
114 HG11 VAL 15 1HG1 VAL 15 10.196 2.323 -1.145
115 HG12 VAL 15 2HG1 VAL 15 11.229 1.914 0.224
116 HG13 VAL 15 3HG1 VAL 15 11.949 2.458 -1.292
117 HG21 VAL 15 3HG2 VAL 15 12.128 5.237 -1.530
118 HG22 VAL 15 1HG2 VAL 15 10.527 5.857 -1.127
119 HG23 VAL 15 2HG2 VAL 15 10.690 4.474 -2.207
120 HA PRO 16 HA PRO 16 10.117 1.068 3.244
121 HB2 PRO 16 2HB PRO 16 11.002 2.022 5.655
122 HB3 PRO 16 1HB PRO 16 12.090 1.591 4.321
123 HG2 PRO 16 2HG PRO 16 11.161 4.264 5.215
124 HG3 PRO 16 1HG PRO 16 12.734 3.769 4.575
125 HD2 PRO 16 2HD PRO 16 10.826 5.086 3.127
126 HD3 PRO 16 1HD PRO 16 12.081 4.057 2.407
127 H GLU 17 H GLU 17 8.308 3.863 3.473
128 HA GLU 17 HA GLU 17 6.710 2.978 5.822
129 HB2 GLU 17 2HB GLU 17 7.251 5.446 4.309
130 HB3 GLU 17 1HB GLU 17 5.554 5.249 4.750
131 HG2 GLU 17 2HG GLU 17 7.843 4.954 6.712
132 HG3 GLU 17 1HG GLU 17 6.931 6.447 6.490
133 H ARG 18 H ARG 18 6.802 2.623 2.439
134 HA ARG 18 HA ARG 18 3.857 2.105 2.278
135 HB2 ARG 18 2HB ARG 18 5.492 3.662 0.743
136 HB3 ARG 18 1HB ARG 18 5.557 2.144 -0.151
137 HG2 ARG 18 2HG ARG 18 3.009 2.102 -0.011
138 HG3 ARG 18 1HG ARG 18 3.107 3.770 0.555
139 HD2 ARG 18 2HD ARG 18 4.365 2.812 -2.039
140 HD3 ARG 18 1HD ARG 18 2.772 3.588 -1.939
141 HE ARG 18 HE ARG 18 4.401 5.300 -0.511
142 HH11 ARG 18 1HH1 ARG 18 3.219 5.551 -3.424
143 HH12 ARG 18 2HH1 ARG 18 4.630 6.125 -4.248
144 HH21 ARG 18 1HH2 ARG 18 6.794 5.320 -1.661
145 HH22 ARG 18 2HH2 ARG 18 6.654 5.995 -3.250
146 H HIS 19 H HIS 19 7.020 0.776 1.227
147 HA HIS 19 HA HIS 19 6.079 -1.704 0.218
148 HB2 HIS 19 2HB HIS 19 8.583 -0.466 1.146
149 HB3 HIS 19 1HB HIS 19 8.565 -2.222 1.308
150 HD1 HIS 19 1HD HIS 19 6.852 -2.931 -1.169
151 HD2 HIS 19 2HD HIS 19 10.011 -0.213 -1.240
152 HE1 HIS 19 1HE HIS 19 7.632 -2.802 -3.576
153 H GLU 20 H GLU 20 6.630 -0.628 3.528
154 HA GLU 20 HA GLU 20 6.404 -3.334 4.659
155 HB2 GLU 20 2HB GLU 20 7.798 -1.402 5.545
156 HB3 GLU 20 1HB GLU 20 6.287 -0.627 6.019
157 HG2 GLU 20 2HG GLU 20 5.734 -2.437 7.508
158 HG3 GLU 20 1HG GLU 20 7.072 -3.414 6.903
159 H CYS 21 H CYS 21 4.276 -0.720 3.809
160 HA CYS 21 HA CYS 21 2.124 -1.163 5.630
161 HB2 CYS 21 2HB CYS 21 2.227 0.807 4.264
162 HB3 CYS 21 1HB CYS 21 2.325 -0.147 2.784
163 H CYS 22 H CYS 22 2.738 -2.544 2.381
164 HA CYS 22 HA CYS 22 0.367 -4.233 2.442
165 HB2 CYS 22 2HB CYS 22 2.620 -3.560 0.687
166 HB3 CYS 22 1HB CYS 22 2.141 -5.253 0.563
167 H ARG 23 H ARG 23 3.843 -4.740 3.057
168 HA ARG 23 HA ARG 23 3.668 -7.593 3.451
169 HB2 ARG 23 2HB ARG 23 5.587 -5.394 3.677
170 HB3 ARG 23 1HB ARG 23 5.833 -6.628 4.913
171 HG2 ARG 23 2HG ARG 23 5.887 -8.373 3.178
172 HG3 ARG 23 1HG ARG 23 5.620 -7.150 1.934
173 HD2 ARG 23 2HD ARG 23 7.851 -6.412 3.660
174 HD3 ARG 23 1HD ARG 23 8.114 -7.990 2.890
175 HE ARG 23 HE ARG 23 7.083 -6.426 0.848
176 HH11 ARG 23 1HH1 ARG 23 8.434 -4.187 2.428
177 HH12 ARG 23 2HH1 ARG 23 9.984 -4.128 1.658
178 HH21 ARG 23 1HH2 ARG 23 9.632 -7.216 0.119
179 HH22 ARG 23 2HH2 ARG 23 10.662 -5.843 0.350
180 H ALA 24 H ALA 24 2.841 -4.870 5.430
181 HA ALA 24 HA ALA 24 3.019 -6.358 7.972
182 HB1 ALA 24 3HB ALA 24 3.561 -4.059 8.096
183 HB2 ALA 24 1HB ALA 24 1.915 -4.126 8.727
184 HB3 ALA 24 2HB ALA 24 2.204 -3.596 7.069
185 H HIS 25 H HIS 25 0.578 -5.429 5.604
186 HA HIS 25 HA HIS 25 -1.606 -6.424 7.363
187 HB2 HIS 25 2HB HIS 25 -1.331 -4.769 4.877
188 HB3 HIS 25 1HB HIS 25 -2.869 -5.576 5.184
189 HD1 HIS 25 1HD HIS 25 -0.412 -3.346 7.077
190 HD2 HIS 25 2HD HIS 25 -4.500 -4.143 6.891
191 HE1 HIS 25 1HE HIS 25 -1.532 -1.720 8.664
192 H GLY 26 H GLY 26 0.567 -7.813 5.331
193 HA2 GLY 26 2HA GLY 26 0.568 -9.985 4.400
194 HA3 GLY 26 1HA GLY 26 -1.121 -10.149 4.883
195 H ARG 27 H ARG 27 0.943 -8.512 2.474
196 HA ARG 27 HA ARG 27 -1.270 -8.893 0.492
197 HB2 ARG 27 2HB ARG 27 -0.227 -6.468 1.636
198 HB3 ARG 27 1HB ARG 27 0.151 -6.496 -0.086
199 HG2 ARG 27 2HG ARG 27 -2.110 -5.491 0.516
200 HG3 ARG 27 1HG ARG 27 -2.154 -6.789 -0.678
201 HD2 ARG 27 2HD ARG 27 -3.081 -8.322 0.826
202 HD3 ARG 27 1HD ARG 27 -2.456 -7.458 2.245
203 HE ARG 27 HE ARG 27 -4.316 -5.862 0.657
204 HH11 ARG 27 1HH2 ARG 27 -3.588 -6.928 3.713
205 HH12 ARG 27 2HH2 ARG 27 -5.224 -7.108 4.253
206 HH21 ARG 27 1HH1 ARG 27 -6.594 -6.639 1.102
207 HH22 ARG 27 2HH1 ARG 27 -6.926 -6.945 2.774
208 H SER 28 H SER 28 0.202 -7.614 -1.624
209 HA SER 28 HA SER 28 2.286 -9.698 -2.090
210 HB2 SER 28 2HB SER 28 0.501 -9.584 -3.717
211 HB3 SER 28 1HB SER 28 0.680 -7.838 -3.866
212 HG SER 28 HG SER 28 1.793 -9.545 -5.386
213 H GLY 29 H GLY 29 2.153 -6.627 -3.781
214 HA2 GLY 29 2HA GLY 29 4.419 -5.514 -2.265
215 HA3 GLY 29 1HA GLY 29 4.781 -5.981 -3.927
216 H TYR 30 H TYR 30 4.745 -3.264 -2.756
217 HA TYR 30 HA TYR 30 2.547 -1.663 -3.267
218 HB2 TYR 30 2HB TYR 30 4.555 -0.687 -2.470
219 HB3 TYR 30 1HB TYR 30 5.501 -1.333 -3.810
220 HD1 TYR 30 2HD TYR 30 5.375 -0.324 -6.049
221 HD2 TYR 30 1HD TYR 30 3.184 1.305 -2.733
222 HE1 TYR 30 2HE TYR 30 4.978 1.759 -7.334
223 HE2 TYR 30 1HE TYR 30 2.787 3.388 -4.019
224 HH TYR 30 HH TYR 30 3.661 4.604 -5.862
225 H ALA 31 H ALA 31 1.215 -1.585 -5.025
226 HA ALA 31 HA ALA 31 2.316 -2.301 -7.714
227 HB1 ALA 31 3HB ALA 31 -0.592 -1.898 -7.144
228 HB2 ALA 31 1HB ALA 31 0.196 -3.300 -6.419
229 HB3 ALA 31 2HB ALA 31 0.188 -3.100 -8.171
230 H TYR 32 H TYR 32 -0.117 -0.079 -6.336
231 HA TYR 32 HA TYR 32 0.974 2.289 -7.578
232 HB2 TYR 32 2HB TYR 32 -0.964 2.366 -9.298
233 HB3 TYR 32 1HB TYR 32 0.369 1.262 -9.640
234 HD1 TYR 32 2HD TYR 32 -3.124 1.508 -8.459
235 HD2 TYR 32 1HD TYR 32 0.082 -1.164 -9.488
236 HE1 TYR 32 2HE TYR 32 -4.715 -0.388 -8.479
237 HE2 TYR 32 1HE TYR 32 -1.513 -3.060 -9.502
238 HH TYR 32 HH TYR 32 -3.782 -3.562 -8.376
239 H CYS 33 H CYS 33 -0.055 4.068 -6.639
240 HA CYS 33 HA CYS 33 -2.255 3.522 -4.751
241 HB2 CYS 33 2HB CYS 33 -0.076 5.341 -5.055
242 HB3 CYS 33 1HB CYS 33 -1.557 6.291 -4.969
243 H SER 34 H SER 34 -4.179 3.293 -5.866
244 HA SER 34 HA SER 34 -4.880 5.008 -8.137
245 HB2 SER 34 2HB SER 34 -6.567 3.455 -8.405
246 HB3 SER 34 1HB SER 34 -5.504 2.498 -7.374
247 HG SER 34 HG SER 34 -7.941 3.688 -6.834
248 H GLY 35 H GLY 35 -6.863 6.369 -8.092
249 HA2 GLY 35 2HA GLY 35 -6.912 8.384 -6.209
250 HA3 GLY 35 1HA GLY 35 -8.360 7.896 -7.090
251 H GLY 36 H GLY 36 -9.097 5.540 -6.110
252 HA2 GLY 36 2HA GLY 36 -10.338 6.037 -3.660
253 HA3 GLY 36 1HA GLY 36 -9.982 4.411 -4.244
254 H GLY 37 H GLY 37 -7.662 3.676 -3.862
255 HA2 GLY 37 2HA GLY 37 -6.334 4.982 -1.564
256 HA3 GLY 37 1HA GLY 37 -6.915 3.337 -1.307
257 H MET 38 H MET 38 -5.057 2.125 -1.292
258 HA MET 38 HA MET 38 -3.229 2.414 -3.655
259 HB2 MET 38 2HB MET 38 -2.152 3.157 -1.617
260 HB3 MET 38 1HB MET 38 -2.701 1.720 -0.754
261 HG2 MET 38 2HG MET 38 -0.353 1.444 -1.397
262 HG3 MET 38 1HG MET 38 -1.354 0.308 -2.299
263 HE1 MET 38 3HE MET 38 0.333 -0.118 -4.270
264 HE2 MET 38 1HE MET 38 1.396 0.721 -3.132
265 HE3 MET 38 2HE MET 38 1.405 1.160 -4.839
266 H TYR 39 H TYR 39 -2.557 0.443 -4.628
267 HA TYR 39 HA TYR 39 -3.903 -2.016 -3.574
268 HB2 TYR 39 2HB TYR 39 -3.594 -1.010 -6.414
269 HB3 TYR 39 1HB TYR 39 -4.317 -2.558 -5.974
270 HD1 TYR 39 2HD TYR 39 -4.588 1.097 -5.151
271 HD2 TYR 39 1HD TYR 39 -6.611 -2.664 -5.595
272 HE1 TYR 39 2HE TYR 39 -6.759 2.212 -4.709
273 HE2 TYR 39 1HE TYR 39 -8.782 -1.551 -5.153
274 HH TYR 39 HH TYR 39 -9.724 0.369 -4.304
275 H CYS 40 H CYS 40 -2.693 -3.897 -3.631
276 HA CYS 40 HA CYS 40 0.164 -3.604 -4.484
277 HB2 CYS 40 2HB CYS 40 -1.287 -4.772 -2.238
278 HB3 CYS 40 1HB CYS 40 -0.165 -5.927 -2.959
279 H ASN 41 H ASN 41 1.097 -5.253 -5.798
280 HA ASN 41 HA ASN 41 -0.451 -6.407 -7.847
281 HB2 ASN 41 2HB ASN 41 2.148 -6.084 -7.366
282 HB3 ASN 41 1HB ASN 41 2.025 -7.765 -6.844
283 HD21 ASN 41 1HD2 ASN 41 3.324 -6.574 -9.332
284 HD22 ASN 41 2HD2 ASN 41 2.607 -7.404 -10.628
Start of MODEL 4
1 H1 ALA 1 1HT ALA 1 -5.619 -6.743 -9.221
2 H2 ALA 1 2HT ALA 1 -5.690 -8.085 -8.181
3 H3 ALA 1 3HT ALA 1 -4.391 -7.913 -9.263
4 HA ALA 1 HA ALA 1 -3.327 -7.088 -7.454
5 HB1 ALA 1 3HB ALA 1 -3.531 -4.640 -7.530
6 HB2 ALA 1 1HB ALA 1 -5.108 -4.781 -8.305
7 HB3 ALA 1 2HB ALA 1 -3.656 -5.300 -9.161
8 H VAL 2 H VAL 2 -3.660 -5.561 -5.390
9 HA VAL 2 HA VAL 2 -6.249 -6.332 -4.084
10 HB VAL 2 HB VAL 2 -4.668 -6.401 -1.993
11 HG11 VAL 2 1HG1 VAL 2 -5.797 -8.317 -3.372
12 HG12 VAL 2 2HG1 VAL 2 -4.490 -8.720 -2.260
13 HG13 VAL 2 3HG1 VAL 2 -4.170 -8.595 -3.990
14 HG21 VAL 2 3HG2 VAL 2 -2.767 -5.427 -3.467
15 HG22 VAL 2 1HG2 VAL 2 -2.627 -7.060 -4.116
16 HG23 VAL 2 2HG2 VAL 2 -2.368 -6.770 -2.396
17 H ARG 3 H ARG 3 -6.135 -4.963 -1.781
18 HA ARG 3 HA ARG 3 -5.360 -2.146 -2.359
19 HB2 ARG 3 2HB ARG 3 -7.530 -2.085 -3.170
20 HB3 ARG 3 1HB ARG 3 -8.073 -3.383 -2.120
21 HG2 ARG 3 2HG ARG 3 -9.014 -1.119 -1.523
22 HG3 ARG 3 1HG ARG 3 -8.144 -1.909 -0.209
23 HD2 ARG 3 2HD ARG 3 -6.074 -0.576 -1.059
24 HD3 ARG 3 1HD ARG 3 -7.267 0.430 -1.901
25 HE ARG 3 HE ARG 3 -7.297 -0.043 1.061
26 HH11 ARG 3 1HH1 ARG 3 -9.601 1.017 -0.885
27 HH12 ARG 3 2HH1 ARG 3 -9.578 2.687 -0.424
28 HH21 ARG 3 1HH2 ARG 3 -6.570 2.448 1.284
29 HH22 ARG 3 2HH2 ARG 3 -7.862 3.497 0.804
30 H ILE 4 H ILE 4 -4.340 -1.427 -0.536
31 HA ILE 4 HA ILE 4 -4.962 -2.721 2.082
32 HB ILE 4 HB ILE 4 -2.628 -1.258 0.860
33 HG12 ILE 4 2HG1 ILE 4 -2.859 -3.712 0.566
34 HG13 ILE 4 1HG1 ILE 4 -1.444 -3.304 1.537
35 HG21 ILE 4 1HG2 ILE 4 -2.418 -0.251 2.917
36 HG22 ILE 4 2HG2 ILE 4 -1.698 -1.809 3.325
37 HG23 ILE 4 3HG2 ILE 4 -3.383 -1.483 3.730
38 HD11 ILE 4 3HD1 ILE 4 -2.523 -5.086 2.702
39 HD12 ILE 4 1HD1 ILE 4 -4.114 -4.351 2.496
40 HD13 ILE 4 2HD1 ILE 4 -2.939 -3.618 3.588
41 H GLY 5 H GLY 5 -5.381 -1.372 3.923
42 HA2 GLY 5 2HA GLY 5 -6.905 1.006 3.366
43 HA3 GLY 5 1HA GLY 5 -6.474 0.421 4.968
44 HA PRO 6 HA PRO 6 -3.459 3.548 5.345
45 HB2 PRO 6 2HB PRO 6 -1.303 2.303 6.459
46 HB3 PRO 6 1HB PRO 6 -2.798 2.660 7.336
47 HG2 PRO 6 2HG PRO 6 -1.836 0.098 6.194
48 HG3 PRO 6 1HG PRO 6 -2.795 0.391 7.651
49 HD2 PRO 6 2HD PRO 6 -3.813 -0.510 5.247
50 HD3 PRO 6 1HD PRO 6 -4.763 0.290 6.515
51 H CYS 7 H CYS 7 -3.225 1.780 2.760
52 HA CYS 7 HA CYS 7 -0.341 2.184 2.181
53 HB2 CYS 7 2HB CYS 7 -2.596 0.563 1.219
54 HB3 CYS 7 1HB CYS 7 -1.599 1.205 -0.082
55 H ASP 8 H ASP 8 -3.542 3.417 1.488
56 HA ASP 8 HA ASP 8 -2.625 5.289 -0.597
57 HB2 ASP 8 2HB ASP 8 -4.877 4.328 -0.682
58 HB3 ASP 8 1HB ASP 8 -5.213 4.896 0.955
59 H GLN 9 H GLN 9 -3.094 5.109 2.843
60 HA GLN 9 HA GLN 9 -2.979 8.008 3.319
61 HB2 GLN 9 2HB GLN 9 -4.110 6.018 4.655
62 HB3 GLN 9 1HB GLN 9 -2.508 5.865 5.377
63 HG2 GLN 9 2HG GLN 9 -2.961 8.595 5.461
64 HG3 GLN 9 1HG GLN 9 -4.554 7.918 5.808
65 HE21 GLN 9 1HE2 GLN 9 -4.891 7.347 7.960
66 HE22 GLN 9 2HE2 GLN 9 -3.663 7.023 9.085
67 H VAL 10 H VAL 10 -0.847 5.161 3.808
68 HA VAL 10 HA VAL 10 1.438 6.951 4.459
69 HB VAL 10 HB VAL 10 0.738 4.645 5.507
70 HG11 VAL 10 1HG1 VAL 10 2.573 3.445 3.497
71 HG12 VAL 10 2HG1 VAL 10 0.925 3.767 2.958
72 HG13 VAL 10 3HG1 VAL 10 1.209 2.720 4.350
73 HG21 VAL 10 3HG2 VAL 10 3.212 4.080 5.796
74 HG22 VAL 10 1HG2 VAL 10 2.751 5.728 6.223
75 HG23 VAL 10 2HG2 VAL 10 3.550 5.407 4.684
76 H CYS 11 H CYS 11 -0.002 6.429 1.703
77 HA CYS 11 HA CYS 11 1.855 5.229 -0.101
78 HB2 CYS 11 2HB CYS 11 -0.678 6.119 -0.187
79 HB3 CYS 11 1HB CYS 11 0.112 7.505 -0.935
80 HA PRO 12 HA PRO 12 3.467 9.663 -0.848
81 HB2 PRO 12 2HB PRO 12 2.837 11.601 0.971
82 HB3 PRO 12 1HB PRO 12 1.828 11.233 -0.440
83 HG2 PRO 12 2HG PRO 12 1.436 10.512 2.401
84 HG3 PRO 12 1HG PRO 12 0.240 10.859 1.146
85 HD2 PRO 12 2HD PRO 12 0.943 8.333 2.054
86 HD3 PRO 12 1HD PRO 12 0.107 8.683 0.526
87 H ARG 13 H ARG 13 3.797 7.718 1.750
88 HA ARG 13 HA ARG 13 5.772 9.271 3.285
89 HB2 ARG 13 2HB ARG 13 4.656 6.460 3.345
90 HB3 ARG 13 1HB ARG 13 5.953 6.970 4.427
91 HG2 ARG 13 2HG ARG 13 3.258 8.341 4.190
92 HG3 ARG 13 1HG ARG 13 3.713 7.223 5.477
93 HD2 ARG 13 2HD ARG 13 5.742 9.277 5.167
94 HD3 ARG 13 1HD ARG 13 4.149 10.001 5.464
95 HE ARG 13 HE ARG 13 4.481 7.743 7.191
96 HH11 ARG 13 1HH2 ARG 13 5.069 11.090 6.767
97 HH12 ARG 13 2HH2 ARG 13 5.687 11.331 8.367
98 HH21 ARG 13 1HH1 ARG 13 5.520 7.975 9.221
99 HH22 ARG 13 2HH1 ARG 13 5.942 9.567 9.758
100 H ILE 14 H ILE 14 7.908 7.885 3.743
101 HA ILE 14 HA ILE 14 9.547 7.930 1.455
102 HB ILE 14 HB ILE 14 11.063 6.529 2.885
103 HG12 ILE 14 2HG1 ILE 14 8.585 6.417 4.636
104 HG13 ILE 14 1HG1 ILE 14 9.416 5.050 3.896
105 HG21 ILE 14 1HG2 ILE 14 11.542 8.520 3.801
106 HG22 ILE 14 2HG2 ILE 14 10.251 8.271 4.979
107 HG23 ILE 14 3HG2 ILE 14 9.909 9.091 3.455
108 HD11 ILE 14 3HD1 ILE 14 10.437 6.865 6.090
109 HD12 ILE 14 1HD1 ILE 14 11.487 5.765 5.196
110 HD13 ILE 14 2HD1 ILE 14 10.162 5.125 6.168
111 H VAL 15 H VAL 15 10.860 5.548 1.193
112 HA VAL 15 HA VAL 15 9.020 3.993 -0.456
113 HB VAL 15 HB VAL 15 11.941 3.810 0.301
114 HG11 VAL 15 1HG1 VAL 15 11.993 2.095 -1.608
115 HG12 VAL 15 2HG1 VAL 15 10.244 1.981 -1.409
116 HG13 VAL 15 3HG1 VAL 15 11.314 1.540 -0.079
117 HG21 VAL 15 3HG2 VAL 15 12.339 4.851 -1.722
118 HG22 VAL 15 1HG2 VAL 15 10.744 5.524 -1.384
119 HG23 VAL 15 2HG2 VAL 15 10.908 4.152 -2.480
120 HA PRO 16 HA PRO 16 9.989 0.657 2.848
121 HB2 PRO 16 2HB PRO 16 10.830 1.522 5.308
122 HB3 PRO 16 1HB PRO 16 11.944 1.077 4.000
123 HG2 PRO 16 2HG PRO 16 11.072 3.768 4.910
124 HG3 PRO 16 1HG PRO 16 12.659 3.226 4.345
125 HD2 PRO 16 2HD PRO 16 10.909 4.640 2.813
126 HD3 PRO 16 1HD PRO 16 12.123 3.531 2.141
127 H GLU 17 H GLU 17 8.357 3.584 3.170
128 HA GLU 17 HA GLU 17 6.651 2.777 5.444
129 HB2 GLU 17 2HB GLU 17 7.208 5.151 3.769
130 HB3 GLU 17 1HB GLU 17 5.529 4.996 4.284
131 HG2 GLU 17 2HG GLU 17 7.945 4.918 6.115
132 HG3 GLU 17 1HG GLU 17 6.839 6.280 5.936
133 H ARG 18 H ARG 18 6.713 2.603 1.977
134 HA ARG 18 HA ARG 18 3.810 1.938 1.830
135 HB2 ARG 18 2HB ARG 18 5.620 3.368 0.241
136 HB3 ARG 18 1HB ARG 18 5.369 1.859 -0.636
137 HG2 ARG 18 2HG ARG 18 3.062 2.218 -0.857
138 HG3 ARG 18 1HG ARG 18 3.017 3.365 0.483
139 HD2 ARG 18 2HD ARG 18 2.817 4.562 -1.669
140 HD3 ARG 18 1HD ARG 18 4.363 4.967 -0.896
141 HE ARG 18 HE ARG 18 4.712 2.632 -2.514
142 HH11 ARG 18 1HH2 ARG 18 3.538 5.771 -3.131
143 HH12 ARG 18 2HH2 ARG 18 4.597 6.068 -4.469
144 HH21 ARG 18 1HH1 ARG 18 6.363 3.112 -4.068
145 HH22 ARG 18 2HH1 ARG 18 6.196 4.563 -4.999
146 H HIS 19 H HIS 19 7.018 0.605 0.963
147 HA HIS 19 HA HIS 19 6.149 -1.912 -0.036
148 HB2 HIS 19 2HB HIS 19 8.567 -0.560 0.820
149 HB3 HIS 19 1HB HIS 19 8.598 -2.248 1.332
150 HD1 HIS 19 1HD HIS 19 7.530 -3.860 -0.818
151 HD2 HIS 19 2HD HIS 19 9.641 -0.376 -1.704
152 HE1 HIS 19 1HE HIS 19 8.318 -4.090 -3.214
153 H GLU 20 H GLU 20 6.618 -0.745 3.266
154 HA GLU 20 HA GLU 20 6.303 -3.404 4.472
155 HB2 GLU 20 2HB GLU 20 7.678 -1.436 5.332
156 HB3 GLU 20 1HB GLU 20 6.149 -0.661 5.752
157 HG2 GLU 20 2HG GLU 20 6.758 -1.759 7.744
158 HG3 GLU 20 1HG GLU 20 5.617 -2.877 6.998
159 H CYS 21 H CYS 21 4.227 -0.852 3.396
160 HA CYS 21 HA CYS 21 2.001 -1.259 5.179
161 HB2 CYS 21 2HB CYS 21 2.263 0.748 3.838
162 HB3 CYS 21 1HB CYS 21 2.273 -0.198 2.350
163 H CYS 22 H CYS 22 2.649 -2.468 1.864
164 HA CYS 22 HA CYS 22 0.295 -4.181 1.839
165 HB2 CYS 22 2HB CYS 22 2.812 -4.106 0.140
166 HB3 CYS 22 1HB CYS 22 1.325 -4.954 -0.284
167 H ARG 23 H ARG 23 3.683 -4.563 2.735
168 HA ARG 23 HA ARG 23 3.595 -7.483 2.843
169 HB2 ARG 23 2HB ARG 23 5.490 -5.394 2.866
170 HB3 ARG 23 1HB ARG 23 5.665 -6.204 4.422
171 HG2 ARG 23 2HG ARG 23 5.440 -8.356 2.772
172 HG3 ARG 23 1HG ARG 23 6.236 -7.208 1.696
173 HD2 ARG 23 2HD ARG 23 8.119 -6.996 3.110
174 HD3 ARG 23 1HD ARG 23 7.246 -7.650 4.512
175 HE ARG 23 HE ARG 23 7.595 -9.415 2.144
176 HH11 ARG 23 1HH2 ARG 23 8.976 -8.370 5.087
177 HH12 ARG 23 2HH2 ARG 23 9.401 -9.961 5.625
178 HH21 ARG 23 1HH1 ARG 23 7.863 -11.561 2.961
179 HH22 ARG 23 2HH1 ARG 23 8.771 -11.767 4.421
180 H ALA 24 H ALA 24 2.792 -4.859 4.990
181 HA ALA 24 HA ALA 24 2.914 -6.518 7.427
182 HB1 ALA 24 3HB ALA 24 2.028 -3.692 6.775
183 HB2 ALA 24 1HB ALA 24 3.538 -4.184 7.545
184 HB3 ALA 24 2HB ALA 24 2.009 -4.360 8.407
185 H HIS 25 H HIS 25 0.579 -5.580 5.012
186 HA HIS 25 HA HIS 25 -1.689 -6.481 6.732
187 HB2 HIS 25 2HB HIS 25 -1.377 -4.912 4.169
188 HB3 HIS 25 1HB HIS 25 -2.951 -5.514 4.687
189 HD1 HIS 25 1HD HIS 25 -4.040 -3.361 5.450
190 HD2 HIS 25 2HD HIS 25 -0.272 -3.915 7.144
191 HE1 HIS 25 1HE HIS 25 -3.769 -1.550 7.199
192 H GLY 26 H GLY 26 -0.090 -8.613 6.009
193 HA2 GLY 26 2HA GLY 26 -0.053 -10.638 4.809
194 HA3 GLY 26 1HA GLY 26 -1.807 -10.454 4.814
195 H ARG 27 H ARG 27 0.110 -8.009 3.255
196 HA ARG 27 HA ARG 27 -0.859 -9.026 0.606
197 HB2 ARG 27 2HB ARG 27 -0.844 -6.457 1.993
198 HB3 ARG 27 1HB ARG 27 -0.132 -6.334 0.384
199 HG2 ARG 27 2HG ARG 27 -2.578 -5.961 0.317
200 HG3 ARG 27 1HG ARG 27 -2.121 -7.403 -0.593
201 HD2 ARG 27 2HD ARG 27 -2.524 -8.385 1.980
202 HD3 ARG 27 1HD ARG 27 -3.818 -7.187 1.781
203 HE ARG 27 HE ARG 27 -3.561 -8.724 -0.627
204 HH11 ARG 27 1HH1 ARG 27 -6.044 -8.020 1.110
205 HH12 ARG 27 2HH1 ARG 27 -6.618 -9.613 1.474
206 HH21 ARG 27 1HH2 ARG 27 -3.684 -11.181 0.498
207 HH22 ARG 27 2HH2 ARG 27 -5.282 -11.403 1.127
208 H SER 28 H SER 28 0.654 -8.105 -1.232
209 HA SER 28 HA SER 28 3.393 -9.021 -0.615
210 HB2 SER 28 2HB SER 28 1.827 -9.505 -2.672
211 HB3 SER 28 1HB SER 28 2.419 -7.951 -3.253
212 HG SER 28 HG SER 28 4.152 -8.975 -3.823
213 H GLY 29 H GLY 29 4.395 -7.247 -2.853
214 HA2 GLY 29 2HA GLY 29 5.332 -5.068 -1.188
215 HA3 GLY 29 1HA GLY 29 5.658 -5.260 -2.911
216 H TYR 30 H TYR 30 5.226 -2.976 -3.223
217 HA TYR 30 HA TYR 30 2.374 -2.163 -2.840
218 HB2 TYR 30 2HB TYR 30 3.232 0.066 -2.813
219 HB3 TYR 30 1HB TYR 30 4.400 -0.885 -1.898
220 HD1 TYR 30 2HD TYR 30 3.733 0.813 -5.110
221 HD2 TYR 30 1HD TYR 30 6.620 -1.346 -2.772
222 HE1 TYR 30 2HE TYR 30 5.519 1.488 -6.692
223 HE2 TYR 30 1HE TYR 30 8.406 -0.671 -4.356
224 HH TYR 30 HH TYR 30 8.354 0.046 -6.986
225 H ALA 31 H ALA 31 1.156 -1.465 -4.638
226 HA ALA 31 HA ALA 31 2.330 -2.108 -7.313
227 HB1 ALA 31 3HB ALA 31 0.081 -3.012 -6.156
228 HB2 ALA 31 1HB ALA 31 0.189 -2.758 -7.898
229 HB3 ALA 31 2HB ALA 31 -0.568 -1.537 -6.874
230 H TYR 32 H TYR 32 -0.164 0.138 -6.101
231 HA TYR 32 HA TYR 32 1.163 2.543 -6.981
232 HB2 TYR 32 2HB TYR 32 -0.496 2.773 -8.990
233 HB3 TYR 32 1HB TYR 32 0.918 1.737 -9.190
234 HD1 TYR 32 2HD TYR 32 -2.694 1.677 -8.239
235 HD2 TYR 32 1HD TYR 32 0.674 -0.582 -9.658
236 HE1 TYR 32 2HE TYR 32 -4.179 -0.255 -8.681
237 HE2 TYR 32 1HE TYR 32 -0.813 -2.514 -10.097
238 HH TYR 32 HH TYR 32 -4.325 -2.304 -9.523
239 H CYS 33 H CYS 33 -0.117 4.389 -6.449
240 HA CYS 33 HA CYS 33 -2.476 3.835 -4.758
241 HB2 CYS 33 2HB CYS 33 -0.385 5.802 -5.024
242 HB3 CYS 33 1HB CYS 33 -1.950 6.612 -5.057
243 H SER 34 H SER 34 -4.486 3.812 -5.694
244 HA SER 34 HA SER 34 -4.975 5.635 -8.027
245 HB2 SER 34 2HB SER 34 -5.299 3.756 -9.237
246 HB3 SER 34 1HB SER 34 -5.008 2.764 -7.812
247 HG SER 34 HG SER 34 -7.157 2.639 -8.881
248 H GLY 35 H GLY 35 -6.824 6.867 -7.839
249 HA2 GLY 35 2HA GLY 35 -8.806 7.731 -6.928
250 HA3 GLY 35 1HA GLY 35 -9.196 6.074 -6.463
251 H GLY 36 H GLY 36 -9.996 6.711 -4.398
252 HA2 GLY 36 2HA GLY 36 -8.176 8.141 -2.569
253 HA3 GLY 36 1HA GLY 36 -9.827 7.639 -2.203
254 H GLY 37 H GLY 37 -7.602 5.356 -3.623
255 HA2 GLY 37 2HA GLY 37 -6.899 4.199 -1.002
256 HA3 GLY 37 1HA GLY 37 -7.940 3.208 -2.029
257 H MET 38 H MET 38 -5.272 2.481 -1.245
258 HA MET 38 HA MET 38 -3.736 2.790 -3.794
259 HB2 MET 38 2HB MET 38 -2.572 3.507 -1.801
260 HB3 MET 38 1HB MET 38 -3.009 2.024 -0.954
261 HG2 MET 38 2HG MET 38 -1.547 0.705 -2.260
262 HG3 MET 38 1HG MET 38 -1.409 1.942 -3.509
263 HE1 MET 38 3HE MET 38 1.033 0.562 -0.593
264 HE2 MET 38 1HE MET 38 1.939 1.148 -1.995
265 HE3 MET 38 2HE MET 38 0.479 0.190 -2.223
266 H TYR 39 H TYR 39 -2.515 0.758 -4.449
267 HA TYR 39 HA TYR 39 -4.063 -1.721 -3.772
268 HB2 TYR 39 2HB TYR 39 -3.087 -0.669 -6.445
269 HB3 TYR 39 1HB TYR 39 -3.754 -2.286 -6.213
270 HD1 TYR 39 2HD TYR 39 -4.542 1.325 -5.618
271 HD2 TYR 39 1HD TYR 39 -6.073 -2.625 -6.324
272 HE1 TYR 39 2HE TYR 39 -6.837 2.245 -5.784
273 HE2 TYR 39 1HE TYR 39 -8.369 -1.706 -6.490
274 HH TYR 39 HH TYR 39 -9.061 1.422 -7.011
275 H CYS 40 H CYS 40 -2.794 -3.569 -3.504
276 HA CYS 40 HA CYS 40 0.173 -3.141 -3.643
277 HB2 CYS 40 2HB CYS 40 -1.551 -5.049 -2.029
278 HB3 CYS 40 1HB CYS 40 0.206 -4.950 -1.928
279 H ASN 41 H ASN 41 1.469 -5.006 -4.363
280 HA ASN 41 HA ASN 41 0.422 -6.269 -6.741
281 HB2 ASN 41 2HB ASN 41 2.905 -5.881 -5.339
282 HB3 ASN 41 1HB ASN 41 2.760 -7.583 -5.784
283 HD21 ASN 41 1HD2 ASN 41 4.715 -6.516 -7.205
284 HD22 ASN 41 2HD2 ASN 41 4.242 -6.050 -8.767
Start of MODEL 5
1 H1 ALA 1 1HT ALA 1 -5.526 -7.381 -8.897
2 H2 ALA 1 2HT ALA 1 -5.173 -8.745 -7.948
3 H3 ALA 1 3HT ALA 1 -4.033 -8.165 -9.066
4 HA ALA 1 HA ALA 1 -3.228 -7.377 -7.032
5 HB1 ALA 1 3HB ALA 1 -4.880 -5.472 -8.670
6 HB2 ALA 1 1HB ALA 1 -3.125 -5.618 -8.575
7 HB3 ALA 1 2HB ALA 1 -4.021 -4.873 -7.250
8 H VAL 2 H VAL 2 -3.981 -5.593 -5.226
9 HA VAL 2 HA VAL 2 -6.680 -6.358 -4.194
10 HB VAL 2 HB VAL 2 -5.574 -6.714 -1.964
11 HG11 VAL 2 1HG1 VAL 2 -5.570 -8.884 -2.556
12 HG12 VAL 2 2HG1 VAL 2 -4.049 -8.666 -3.421
13 HG13 VAL 2 3HG1 VAL 2 -5.582 -8.402 -4.252
14 HG21 VAL 2 3HG2 VAL 2 -3.461 -5.975 -1.711
15 HG22 VAL 2 1HG2 VAL 2 -3.342 -5.631 -3.436
16 HG23 VAL 2 2HG2 VAL 2 -2.925 -7.231 -2.827
17 H ARG 3 H ARG 3 -6.422 -5.006 -1.734
18 HA ARG 3 HA ARG 3 -5.619 -2.220 -2.383
19 HB2 ARG 3 2HB ARG 3 -7.806 -2.104 -3.128
20 HB3 ARG 3 1HB ARG 3 -8.355 -3.379 -2.054
21 HG2 ARG 3 2HG ARG 3 -9.222 -1.094 -1.445
22 HG3 ARG 3 1HG ARG 3 -8.329 -1.889 -0.151
23 HD2 ARG 3 2HD ARG 3 -6.258 -0.609 -1.060
24 HD3 ARG 3 1HD ARG 3 -7.445 0.404 -1.906
25 HE ARG 3 HE ARG 3 -7.387 0.018 1.065
26 HH11 ARG 3 1HH2 ARG 3 -9.759 0.949 -0.905
27 HH12 ARG 3 2HH2 ARG 3 -9.798 2.624 -0.465
28 HH21 ARG 3 1HH1 ARG 3 -6.794 2.513 1.263
29 HH22 ARG 3 2HH1 ARG 3 -8.120 3.509 0.763
30 H ILE 4 H ILE 4 -4.413 -1.633 -0.626
31 HA ILE 4 HA ILE 4 -5.039 -2.805 2.043
32 HB ILE 4 HB ILE 4 -2.676 -1.434 0.756
33 HG12 ILE 4 2HG1 ILE 4 -3.044 -3.878 0.408
34 HG13 ILE 4 1HG1 ILE 4 -1.562 -3.542 1.304
35 HG21 ILE 4 1HG2 ILE 4 -1.604 -1.918 3.079
36 HG22 ILE 4 2HG2 ILE 4 -3.264 -1.918 3.669
37 HG23 ILE 4 3HG2 ILE 4 -2.600 -0.474 2.904
38 HD11 ILE 4 3HD1 ILE 4 -3.059 -3.798 3.421
39 HD12 ILE 4 1HD1 ILE 4 -2.551 -5.257 2.571
40 HD13 ILE 4 2HD1 ILE 4 -4.178 -4.618 2.333
41 H GLY 5 H GLY 5 -5.134 -1.332 3.906
42 HA2 GLY 5 2HA GLY 5 -6.564 1.137 3.272
43 HA3 GLY 5 1HA GLY 5 -6.257 0.506 4.885
44 HA PRO 6 HA PRO 6 -2.916 3.263 5.406
45 HB2 PRO 6 2HB PRO 6 -0.859 1.765 6.389
46 HB3 PRO 6 1HB PRO 6 -2.304 2.186 7.320
47 HG2 PRO 6 2HG PRO 6 -1.584 -0.364 5.988
48 HG3 PRO 6 1HG PRO 6 -2.489 -0.091 7.483
49 HD2 PRO 6 2HD PRO 6 -3.623 -0.733 5.047
50 HD3 PRO 6 1HD PRO 6 -4.479 0.055 6.389
51 H CYS 7 H CYS 7 -2.843 1.467 2.758
52 HA CYS 7 HA CYS 7 0.031 1.822 2.107
53 HB2 CYS 7 2HB CYS 7 -2.332 0.346 1.094
54 HB3 CYS 7 1HB CYS 7 -1.188 0.866 -0.134
55 H ASP 8 H ASP 8 -3.145 3.139 1.556
56 HA ASP 8 HA ASP 8 -2.214 5.033 -0.525
57 HB2 ASP 8 2HB ASP 8 -4.480 3.840 -0.467
58 HB3 ASP 8 1HB ASP 8 -4.880 4.854 0.920
59 H GLN 9 H GLN 9 -2.836 4.767 2.885
60 HA GLN 9 HA GLN 9 -2.853 7.644 3.440
61 HB2 GLN 9 2HB GLN 9 -2.444 5.251 5.267
62 HB3 GLN 9 1HB GLN 9 -2.978 6.862 5.747
63 HG2 GLN 9 2HG GLN 9 -4.596 5.601 3.620
64 HG3 GLN 9 1HG GLN 9 -4.680 4.801 5.190
65 HE21 GLN 9 1HE2 GLN 9 -4.700 6.741 7.055
66 HE22 GLN 9 2HE2 GLN 9 -5.929 7.881 6.788
67 H VAL 10 H VAL 10 -0.563 4.906 3.840
68 HA VAL 10 HA VAL 10 1.596 6.814 4.595
69 HB VAL 10 HB VAL 10 1.046 4.433 5.553
70 HG11 VAL 10 1HG1 VAL 10 1.832 2.571 4.380
71 HG12 VAL 10 2HG1 VAL 10 2.902 3.539 3.366
72 HG13 VAL 10 3HG1 VAL 10 1.162 3.558 3.080
73 HG21 VAL 10 3HG2 VAL 10 3.453 4.062 6.009
74 HG22 VAL 10 1HG2 VAL 10 3.022 5.763 6.181
75 HG23 VAL 10 2HG2 VAL 10 3.864 5.208 4.734
76 H CYS 11 H CYS 11 0.216 6.294 1.800
77 HA CYS 11 HA CYS 11 2.187 5.306 -0.018
78 HB2 CYS 11 2HB CYS 11 -0.405 5.965 -0.132
79 HB3 CYS 11 1HB CYS 11 0.260 7.464 -0.778
80 HA PRO 12 HA PRO 12 3.427 9.889 -0.588
81 HB2 PRO 12 2HB PRO 12 2.650 11.688 1.317
82 HB3 PRO 12 1HB PRO 12 1.672 11.310 -0.115
83 HG2 PRO 12 2HG PRO 12 1.345 10.414 2.689
84 HG3 PRO 12 1HG PRO 12 0.120 10.748 1.457
85 HD2 PRO 12 2HD PRO 12 0.979 8.232 2.217
86 HD3 PRO 12 1HD PRO 12 0.152 8.612 0.692
87 H ARG 13 H ARG 13 3.841 7.896 1.996
88 HA ARG 13 HA ARG 13 5.759 9.526 3.527
89 HB2 ARG 13 2HB ARG 13 4.700 6.700 3.602
90 HB3 ARG 13 1HB ARG 13 6.035 7.198 4.640
91 HG2 ARG 13 2HG ARG 13 3.671 8.997 4.586
92 HG3 ARG 13 1HG ARG 13 3.453 7.438 5.382
93 HD2 ARG 13 2HD ARG 13 5.970 8.400 6.251
94 HD3 ARG 13 1HD ARG 13 4.844 9.766 6.371
95 HE ARG 13 HE ARG 13 3.483 7.469 7.320
96 HH11 ARG 13 1HH2 ARG 13 4.556 10.246 8.554
97 HH12 ARG 13 2HH2 ARG 13 5.163 9.627 10.053
98 HH21 ARG 13 1HH1 ARG 13 4.971 6.308 9.068
99 HH22 ARG 13 2HH1 ARG 13 5.398 7.398 10.344
100 H ILE 14 H ILE 14 7.938 8.182 3.989
101 HA ILE 14 HA ILE 14 9.569 8.306 1.696
102 HB ILE 14 HB ILE 14 11.140 6.949 3.112
103 HG12 ILE 14 2HG1 ILE 14 8.695 6.769 4.902
104 HG13 ILE 14 1HG1 ILE 14 9.510 5.421 4.112
105 HG21 ILE 14 1HG2 ILE 14 11.571 8.900 4.136
106 HG22 ILE 14 2HG2 ILE 14 10.172 8.690 5.189
107 HG23 ILE 14 3HG2 ILE 14 9.987 9.485 3.625
108 HD11 ILE 14 3HD1 ILE 14 11.621 6.163 5.364
109 HD12 ILE 14 1HD1 ILE 14 10.346 5.435 6.341
110 HD13 ILE 14 2HD1 ILE 14 10.557 7.186 6.330
111 H VAL 15 H VAL 15 10.965 5.946 1.462
112 HA VAL 15 HA VAL 15 9.215 4.371 -0.258
113 HB VAL 15 HB VAL 15 12.109 4.248 0.600
114 HG11 VAL 15 1HG1 VAL 15 12.183 2.110 -0.106
115 HG12 VAL 15 2HG1 VAL 15 11.695 2.664 -1.706
116 HG13 VAL 15 3HG1 VAL 15 10.475 2.156 -0.540
117 HG21 VAL 15 3HG2 VAL 15 10.551 5.512 -1.530
118 HG22 VAL 15 1HG2 VAL 15 11.876 4.536 -2.162
119 HG23 VAL 15 2HG2 VAL 15 12.206 5.834 -1.015
120 HA PRO 16 HA PRO 16 10.166 0.969 2.996
121 HB2 PRO 16 2HB PRO 16 10.889 1.804 5.506
122 HB3 PRO 16 1HB PRO 16 12.063 1.408 4.235
123 HG2 PRO 16 2HG PRO 16 11.074 4.068 5.134
124 HG3 PRO 16 1HG PRO 16 12.708 3.571 4.666
125 HD2 PRO 16 2HD PRO 16 11.061 4.961 3.029
126 HD3 PRO 16 1HD PRO 16 12.287 3.828 2.423
127 H GLU 17 H GLU 17 8.525 3.916 3.450
128 HA GLU 17 HA GLU 17 6.713 2.966 5.567
129 HB2 GLU 17 2HB GLU 17 7.524 5.416 4.355
130 HB3 GLU 17 1HB GLU 17 5.784 5.264 4.108
131 HG2 GLU 17 2HG GLU 17 5.618 6.087 6.217
132 HG3 GLU 17 1HG GLU 17 6.045 4.449 6.715
133 H ARG 18 H ARG 18 6.926 2.949 2.098
134 HA ARG 18 HA ARG 18 4.041 2.313 1.762
135 HB2 ARG 18 2HB ARG 18 6.197 3.482 0.230
136 HB3 ARG 18 1HB ARG 18 5.488 2.139 -0.667
137 HG2 ARG 18 2HG ARG 18 3.267 3.098 -0.458
138 HG3 ARG 18 1HG ARG 18 3.877 4.374 0.595
139 HD2 ARG 18 2HD ARG 18 4.733 3.954 -2.292
140 HD3 ARG 18 1HD ARG 18 3.608 5.205 -1.728
141 HE ARG 18 HE ARG 18 5.826 5.504 -0.084
142 HH11 ARG 18 1HH2 ARG 18 6.732 4.458 -2.999
143 HH12 ARG 18 2HH2 ARG 18 7.374 5.950 -3.601
144 HH21 ARG 18 1HH1 ARG 18 6.008 7.871 -1.057
145 HH22 ARG 18 2HH1 ARG 18 6.965 7.883 -2.501
146 H HIS 19 H HIS 19 7.239 0.887 0.965
147 HA HIS 19 HA HIS 19 6.326 -1.611 -0.015
148 HB2 HIS 19 2HB HIS 19 8.763 -0.344 0.935
149 HB3 HIS 19 1HB HIS 19 8.713 -2.039 1.421
150 HD1 HIS 19 1HD HIS 19 7.616 -3.551 -0.808
151 HD2 HIS 19 2HD HIS 19 9.974 -0.191 -1.528
152 HE1 HIS 19 1HE HIS 19 8.490 -3.785 -3.173
153 H GLU 20 H GLU 20 6.308 -0.332 3.206
154 HA GLU 20 HA GLU 20 5.993 -3.020 4.441
155 HB2 GLU 20 2HB GLU 20 7.483 -1.327 5.449
156 HB3 GLU 20 1HB GLU 20 6.126 -0.207 5.580
157 HG2 GLU 20 2HG GLU 20 4.965 -1.723 7.098
158 HG3 GLU 20 1HG GLU 20 6.235 -2.932 6.905
159 H CYS 21 H CYS 21 4.123 -0.250 3.435
160 HA CYS 21 HA CYS 21 1.839 -0.500 5.107
161 HB2 CYS 21 2HB CYS 21 0.876 0.977 3.546
162 HB3 CYS 21 1HB CYS 21 2.598 1.250 3.312
163 H CYS 22 H CYS 22 2.751 -2.211 2.141
164 HA CYS 22 HA CYS 22 0.222 -3.681 1.970
165 HB2 CYS 22 2HB CYS 22 2.740 -3.322 0.482
166 HB3 CYS 22 1HB CYS 22 2.075 -4.952 0.370
167 H ARG 23 H ARG 23 3.588 -4.440 2.908
168 HA ARG 23 HA ARG 23 3.108 -7.214 3.517
169 HB2 ARG 23 2HB ARG 23 5.187 -5.143 4.236
170 HB3 ARG 23 1HB ARG 23 5.293 -6.794 4.848
171 HG2 ARG 23 2HG ARG 23 4.736 -7.081 2.115
172 HG3 ARG 23 1HG ARG 23 5.923 -5.780 2.200
173 HD2 ARG 23 2HD ARG 23 7.581 -7.163 3.014
174 HD3 ARG 23 1HD ARG 23 6.431 -8.183 3.903
175 HE ARG 23 HE ARG 23 6.168 -8.299 0.977
176 HH11 ARG 23 1HH1 ARG 23 8.898 -9.316 1.552
177 HH12 ARG 23 2HH1 ARG 23 8.616 -10.994 1.877
178 HH21 ARG 23 1HH2 ARG 23 5.209 -10.597 2.385
179 HH22 ARG 23 2HH2 ARG 23 6.528 -11.718 2.349
180 H ALA 24 H ALA 24 2.247 -4.321 5.156
181 HA ALA 24 HA ALA 24 2.286 -5.434 7.868
182 HB1 ALA 24 3HB ALA 24 1.819 -2.908 6.483
183 HB2 ALA 24 1HB ALA 24 2.374 -3.186 8.134
184 HB3 ALA 24 2HB ALA 24 0.646 -3.169 7.774
185 H HIS 25 H HIS 25 0.144 -5.553 5.174
186 HA HIS 25 HA HIS 25 -2.152 -6.315 6.944
187 HB2 HIS 25 2HB HIS 25 -1.798 -4.964 4.314
188 HB3 HIS 25 1HB HIS 25 -3.218 -5.996 4.481
189 HD1 HIS 25 1HD HIS 25 -1.510 -3.480 6.803
190 HD2 HIS 25 2HD HIS 25 -5.306 -4.447 5.378
191 HE1 HIS 25 1HE HIS 25 -3.121 -1.862 7.899
192 H GLY 26 H GLY 26 0.252 -7.606 4.927
193 HA2 GLY 26 2HA GLY 26 0.517 -10.003 4.661
194 HA3 GLY 26 1HA GLY 26 -1.235 -10.178 4.780
195 H ARG 27 H ARG 27 0.776 -8.053 2.725
196 HA ARG 27 HA ARG 27 -0.680 -9.180 0.355
197 HB2 ARG 27 2HB ARG 27 0.109 -6.487 1.291
198 HB3 ARG 27 1HB ARG 27 0.380 -6.777 -0.428
199 HG2 ARG 27 2HG ARG 27 -1.913 -5.857 0.143
200 HG3 ARG 27 1HG ARG 27 -1.926 -7.363 -0.776
201 HD2 ARG 27 2HD ARG 27 -2.249 -8.641 1.328
202 HD3 ARG 27 1HD ARG 27 -2.280 -7.115 2.235
203 HE ARG 27 HE ARG 27 -4.136 -6.766 0.177
204 HH11 ARG 27 1HH1 ARG 27 -4.131 -9.834 1.107
205 HH12 ARG 27 2HH1 ARG 27 -5.576 -9.809 2.062
206 HH21 ARG 27 1HH2 ARG 27 -5.791 -6.350 2.129
207 HH22 ARG 27 2HH2 ARG 27 -6.516 -7.837 2.640
208 H SER 28 H SER 28 0.986 -8.173 -1.635
209 HA SER 28 HA SER 28 3.432 -9.838 -1.242
210 HB2 SER 28 2HB SER 28 1.497 -9.456 -3.293
211 HB3 SER 28 1HB SER 28 3.030 -8.853 -3.917
212 HG SER 28 HG SER 28 2.971 -11.283 -2.517
213 H GLY 29 H GLY 29 2.850 -7.015 -3.346
214 HA2 GLY 29 2HA GLY 29 4.946 -5.493 -1.911
215 HA3 GLY 29 1HA GLY 29 5.264 -5.885 -3.600
216 H TYR 30 H TYR 30 4.592 -3.286 -2.052
217 HA TYR 30 HA TYR 30 2.125 -2.182 -2.687
218 HB2 TYR 30 2HB TYR 30 3.259 -0.091 -2.514
219 HB3 TYR 30 1HB TYR 30 4.218 -1.206 -1.543
220 HD1 TYR 30 1HD TYR 30 5.981 -2.621 -3.114
221 HD2 TYR 30 2HD TYR 30 4.481 1.330 -3.883
222 HE1 TYR 30 1HE TYR 30 7.958 -2.145 -4.535
223 HE2 TYR 30 2HE TYR 30 6.460 1.805 -5.300
224 HH TYR 30 HH TYR 30 8.194 -0.034 -6.710
225 H ALA 31 H ALA 31 1.037 -1.862 -4.594
226 HA ALA 31 HA ALA 31 2.482 -2.280 -7.161
227 HB1 ALA 31 3HB ALA 31 0.413 -2.942 -7.947
228 HB2 ALA 31 1HB ALA 31 -0.444 -1.731 -6.993
229 HB3 ALA 31 2HB ALA 31 0.129 -3.211 -6.227
230 H TYR 32 H TYR 32 -0.011 -0.036 -5.934
231 HA TYR 32 HA TYR 32 1.364 2.362 -6.752
232 HB2 TYR 32 2HB TYR 32 -0.313 2.704 -8.729
233 HB3 TYR 32 1HB TYR 32 1.068 1.638 -8.985
234 HD1 TYR 32 2HD TYR 32 -2.565 1.745 -8.265
235 HD2 TYR 32 1HD TYR 32 0.786 -0.755 -9.256
236 HE1 TYR 32 2HE TYR 32 -4.111 -0.127 -8.755
237 HE2 TYR 32 1HE TYR 32 -0.761 -2.627 -9.744
238 HH TYR 32 HH TYR 32 -4.264 -2.174 -9.731
239 H CYS 33 H CYS 33 -0.070 4.269 -6.485
240 HA CYS 33 HA CYS 33 -2.347 3.668 -4.653
241 HB2 CYS 33 2HB CYS 33 -0.256 5.691 -4.938
242 HB3 CYS 33 1HB CYS 33 -1.847 6.414 -4.698
243 H SER 34 H SER 34 -4.295 3.590 -5.704
244 HA SER 34 HA SER 34 -4.874 5.706 -7.743
245 HB2 SER 34 2HB SER 34 -4.389 3.778 -9.029
246 HB3 SER 34 1HB SER 34 -5.169 2.703 -7.870
247 HG SER 34 HG SER 34 -6.224 4.100 -9.961
248 H GLY 35 H GLY 35 -7.361 5.681 -8.190
249 HA2 GLY 35 2HA GLY 35 -9.457 6.195 -7.246
250 HA3 GLY 35 1HA GLY 35 -9.300 4.597 -6.515
251 H GLY 36 H GLY 36 -10.235 5.221 -4.518
252 HA2 GLY 36 2HA GLY 36 -8.895 7.403 -3.015
253 HA3 GLY 36 1HA GLY 36 -10.401 6.612 -2.549
254 H GLY 37 H GLY 37 -7.363 5.029 -3.494
255 HA2 GLY 37 2HA GLY 37 -6.489 4.448 -0.822
256 HA3 GLY 37 1HA GLY 37 -7.437 3.095 -1.442
257 H MET 38 H MET 38 -5.293 1.960 -1.218
258 HA MET 38 HA MET 38 -3.474 2.546 -3.529
259 HB2 MET 38 2HB MET 38 -2.950 2.379 -0.852
260 HB3 MET 38 1HB MET 38 -2.639 0.717 -1.354
261 HG2 MET 38 2HG MET 38 -1.519 2.643 -3.234
262 HG3 MET 38 1HG MET 38 -0.875 2.861 -1.606
263 HE1 MET 38 3HE MET 38 1.137 0.853 -4.403
264 HE2 MET 38 1HE MET 38 1.851 1.626 -2.982
265 HE3 MET 38 2HE MET 38 0.582 2.445 -3.890
266 H TYR 39 H TYR 39 -2.310 0.357 -4.194
267 HA TYR 39 HA TYR 39 -4.223 -1.930 -4.155
268 HB2 TYR 39 2HB TYR 39 -3.183 -0.380 -6.529
269 HB3 TYR 39 1HB TYR 39 -3.757 -2.040 -6.700
270 HD1 TYR 39 2HD TYR 39 -6.107 -2.614 -6.305
271 HD2 TYR 39 1HD TYR 39 -4.713 1.434 -5.964
272 HE1 TYR 39 2HE TYR 39 -8.450 -1.806 -6.329
273 HE2 TYR 39 1HE TYR 39 -7.057 2.242 -5.986
274 HH TYR 39 HH TYR 39 -9.646 0.389 -5.384
275 H CYS 40 H CYS 40 -3.142 -3.879 -4.025
276 HA CYS 40 HA CYS 40 -0.169 -3.825 -4.473
277 HB2 CYS 40 2HB CYS 40 -1.608 -4.206 -2.133
278 HB3 CYS 40 1HB CYS 40 -1.237 -5.853 -2.643
279 H ASN 41 H ASN 41 0.333 -5.066 -6.232
280 HA ASN 41 HA ASN 41 -1.404 -6.879 -7.556
281 HB2 ASN 41 2HB ASN 41 1.355 -5.961 -7.635
282 HB3 ASN 41 1HB ASN 41 1.247 -7.674 -8.047
283 HD21 ASN 41 1HD2 ASN 41 1.948 -5.844 -10.071
284 HD22 ASN 41 2HD2 ASN 41 0.665 -5.702 -11.173
Start of MODEL 6
1 H1 ALA 1 1HT ALA 1 -4.860 -8.392 -7.837
2 H2 ALA 1 2HT ALA 1 -3.369 -9.079 -7.399
3 H3 ALA 1 3HT ALA 1 -3.480 -8.088 -8.775
4 HA ALA 1 HA ALA 1 -2.548 -7.135 -6.530
5 HB1 ALA 1 3HB ALA 1 -4.482 -5.880 -8.499
6 HB2 ALA 1 1HB ALA 1 -2.724 -5.936 -8.623
7 HB3 ALA 1 2HB ALA 1 -3.489 -4.941 -7.385
8 H VAL 2 H VAL 2 -3.343 -5.878 -4.709
9 HA VAL 2 HA VAL 2 -6.214 -6.402 -4.010
10 HB VAL 2 HB VAL 2 -5.320 -6.681 -1.663
11 HG11 VAL 2 1HG1 VAL 2 -5.393 -8.871 -2.175
12 HG12 VAL 2 2HG1 VAL 2 -3.783 -8.769 -2.889
13 HG13 VAL 2 3HG1 VAL 2 -5.210 -8.468 -3.882
14 HG21 VAL 2 3HG2 VAL 2 -2.987 -5.642 -2.883
15 HG22 VAL 2 1HG2 VAL 2 -2.618 -7.315 -2.465
16 HG23 VAL 2 2HG2 VAL 2 -3.164 -6.193 -1.218
17 H ARG 3 H ARG 3 -6.087 -4.975 -1.547
18 HA ARG 3 HA ARG 3 -5.225 -2.220 -2.261
19 HB2 ARG 3 2HB ARG 3 -7.384 -2.141 -3.109
20 HB3 ARG 3 1HB ARG 3 -7.987 -3.341 -1.978
21 HG2 ARG 3 2HG ARG 3 -8.838 -1.012 -1.538
22 HG3 ARG 3 1HG ARG 3 -7.999 -1.738 -0.168
23 HD2 ARG 3 2HD ARG 3 -5.884 -0.547 -1.032
24 HD3 ARG 3 1HD ARG 3 -6.984 0.397 -2.057
25 HE ARG 3 HE ARG 3 -7.116 0.321 0.934
26 HH11 ARG 3 1HH2 ARG 3 -9.636 0.940 -0.729
27 HH12 ARG 3 2HH2 ARG 3 -9.619 2.672 -0.697
28 HH21 ARG 3 1HH1 ARG 3 -6.328 2.882 0.374
29 HH22 ARG 3 2HH1 ARG 3 -7.746 3.772 -0.071
30 H ILE 4 H ILE 4 -4.166 -1.480 -0.480
31 HA ILE 4 HA ILE 4 -4.833 -2.610 2.197
32 HB ILE 4 HB ILE 4 -2.488 -1.187 0.939
33 HG12 ILE 4 2HG1 ILE 4 -2.738 -3.647 0.665
34 HG13 ILE 4 1HG1 ILE 4 -1.312 -3.228 1.615
35 HG21 ILE 4 1HG2 ILE 4 -3.255 -1.402 3.807
36 HG22 ILE 4 2HG2 ILE 4 -2.301 -0.164 2.991
37 HG23 ILE 4 3HG2 ILE 4 -1.568 -1.713 3.407
38 HD11 ILE 4 3HD1 ILE 4 -2.752 -3.535 3.691
39 HD12 ILE 4 1HD1 ILE 4 -2.397 -5.010 2.792
40 HD13 ILE 4 2HD1 ILE 4 -3.976 -4.239 2.634
41 H GLY 5 H GLY 5 -5.339 -1.198 3.944
42 HA2 GLY 5 2HA GLY 5 -6.779 1.195 3.248
43 HA3 GLY 5 1HA GLY 5 -6.437 0.650 4.885
44 HA PRO 6 HA PRO 6 -3.351 3.702 5.317
45 HB2 PRO 6 2HB PRO 6 -1.231 2.426 6.468
46 HB3 PRO 6 1HB PRO 6 -2.735 2.807 7.321
47 HG2 PRO 6 2HG PRO 6 -1.797 0.229 6.190
48 HG3 PRO 6 1HG PRO 6 -2.764 0.537 7.639
49 HD2 PRO 6 2HD PRO 6 -3.781 -0.351 5.235
50 HD3 PRO 6 1HD PRO 6 -4.726 0.482 6.484
51 H CYS 7 H CYS 7 -3.086 1.862 2.762
52 HA CYS 7 HA CYS 7 -0.197 2.267 2.212
53 HB2 CYS 7 2HB CYS 7 -2.441 0.627 1.259
54 HB3 CYS 7 1HB CYS 7 -1.420 1.231 -0.040
55 H ASP 8 H ASP 8 -3.349 3.570 1.599
56 HA ASP 8 HA ASP 8 -2.422 5.368 -0.568
57 HB2 ASP 8 2HB ASP 8 -4.702 4.255 -0.477
58 HB3 ASP 8 1HB ASP 8 -5.056 5.234 0.947
59 H GLN 9 H GLN 9 -3.033 5.242 2.861
60 HA GLN 9 HA GLN 9 -2.917 8.138 3.310
61 HB2 GLN 9 2HB GLN 9 -2.741 5.711 5.136
62 HB3 GLN 9 1HB GLN 9 -2.941 7.374 5.688
63 HG2 GLN 9 2HG GLN 9 -4.860 6.062 3.753
64 HG3 GLN 9 1HG GLN 9 -5.088 6.007 5.501
65 HE21 GLN 9 1HE2 GLN 9 -6.685 7.529 5.980
66 HE22 GLN 9 2HE2 GLN 9 -6.713 9.120 5.389
67 H VAL 10 H VAL 10 -0.772 5.303 3.792
68 HA VAL 10 HA VAL 10 1.486 7.103 4.508
69 HB VAL 10 HB VAL 10 0.798 4.771 5.507
70 HG11 VAL 10 1HG1 VAL 10 2.595 3.792 3.291
71 HG12 VAL 10 2HG1 VAL 10 0.843 3.803 3.099
72 HG13 VAL 10 3HG1 VAL 10 1.583 2.847 4.384
73 HG21 VAL 10 3HG2 VAL 10 3.257 4.241 5.855
74 HG22 VAL 10 1HG2 VAL 10 2.795 5.897 6.245
75 HG23 VAL 10 2HG2 VAL 10 3.621 5.547 4.727
76 H CYS 11 H CYS 11 0.081 6.585 1.715
77 HA CYS 11 HA CYS 11 2.019 5.458 -0.059
78 HB2 CYS 11 2HB CYS 11 -0.556 6.323 -0.175
79 HB3 CYS 11 1HB CYS 11 0.257 7.656 -0.996
80 HA PRO 12 HA PRO 12 3.450 9.966 -0.787
81 HB2 PRO 12 2HB PRO 12 2.694 11.870 1.023
82 HB3 PRO 12 1HB PRO 12 1.742 11.470 -0.421
83 HG2 PRO 12 2HG PRO 12 1.314 10.683 2.406
84 HG3 PRO 12 1HG PRO 12 0.132 11.045 1.140
85 HD2 PRO 12 2HD PRO 12 0.819 8.513 1.972
86 HD3 PRO 12 1HD PRO 12 0.097 8.896 0.395
87 H ARG 13 H ARG 13 3.698 8.090 1.925
88 HA ARG 13 HA ARG 13 5.639 9.708 3.428
89 HB2 ARG 13 2HB ARG 13 4.419 6.965 3.580
90 HB3 ARG 13 1HB ARG 13 5.843 7.332 4.553
91 HG2 ARG 13 2HG ARG 13 3.445 9.161 4.551
92 HG3 ARG 13 1HG ARG 13 3.528 7.761 5.622
93 HD2 ARG 13 2HD ARG 13 5.546 8.595 6.673
94 HD3 ARG 13 1HD ARG 13 5.672 9.911 5.488
95 HE ARG 13 HE ARG 13 3.083 9.954 6.750
96 HH11 ARG 13 1HH2 ARG 13 5.956 11.608 6.411
97 HH12 ARG 13 2HH2 ARG 13 5.876 12.437 7.931
98 HH21 ARG 13 1HH1 ARG 13 3.162 10.611 9.084
99 HH22 ARG 13 2HH1 ARG 13 4.292 11.873 9.443
100 H ILE 14 H ILE 14 7.722 8.191 4.022
101 HA ILE 14 HA ILE 14 9.483 8.273 1.829
102 HB ILE 14 HB ILE 14 10.877 6.766 3.288
103 HG12 ILE 14 2HG1 ILE 14 8.334 6.735 4.948
104 HG13 ILE 14 1HG1 ILE 14 9.089 5.345 4.170
105 HG21 ILE 14 1HG2 ILE 14 10.341 8.395 5.410
106 HG22 ILE 14 2HG2 ILE 14 9.580 9.292 4.098
107 HG23 ILE 14 3HG2 ILE 14 11.293 8.883 4.007
108 HD11 ILE 14 3HD1 ILE 14 9.793 5.270 6.451
109 HD12 ILE 14 1HD1 ILE 14 10.161 6.995 6.466
110 HD13 ILE 14 2HD1 ILE 14 11.175 5.885 5.543
111 H VAL 15 H VAL 15 10.740 5.838 1.582
112 HA VAL 15 HA VAL 15 8.933 4.408 -0.229
113 HB VAL 15 HB VAL 15 11.830 4.176 0.601
114 HG11 VAL 15 1HG1 VAL 15 12.069 2.467 -1.155
115 HG12 VAL 15 2HG1 VAL 15 10.332 2.521 -1.455
116 HG13 VAL 15 3HG1 VAL 15 10.942 1.921 0.087
117 HG21 VAL 15 3HG2 VAL 15 12.179 5.577 -1.135
118 HG22 VAL 15 1HG2 VAL 15 10.431 5.788 -1.237
119 HG23 VAL 15 2HG2 VAL 15 11.229 4.554 -2.212
120 HA PRO 16 HA PRO 16 9.750 0.919 2.952
121 HB2 PRO 16 2HB PRO 16 10.468 1.661 5.489
122 HB3 PRO 16 1HB PRO 16 11.645 1.280 4.216
123 HG2 PRO 16 2HG PRO 16 10.742 3.920 5.230
124 HG3 PRO 16 1HG PRO 16 12.345 3.407 4.683
125 HD2 PRO 16 2HD PRO 16 10.615 4.903 3.186
126 HD3 PRO 16 1HD PRO 16 11.885 3.871 2.496
127 H GLU 17 H GLU 17 8.150 3.881 3.477
128 HA GLU 17 HA GLU 17 6.327 2.915 5.573
129 HB2 GLU 17 2HB GLU 17 7.143 5.373 4.359
130 HB3 GLU 17 1HB GLU 17 5.395 5.234 4.169
131 HG2 GLU 17 2HG GLU 17 5.862 6.323 6.292
132 HG3 GLU 17 1HG GLU 17 5.223 4.710 6.610
133 H ARG 18 H ARG 18 6.591 2.711 2.158
134 HA ARG 18 HA ARG 18 3.671 2.126 1.853
135 HB2 ARG 18 2HB ARG 18 5.656 3.558 0.364
136 HB3 ARG 18 1HB ARG 18 5.109 2.198 -0.618
137 HG2 ARG 18 2HG ARG 18 2.718 2.941 0.082
138 HG3 ARG 18 1HG ARG 18 3.488 4.465 0.524
139 HD2 ARG 18 2HD ARG 18 3.392 3.168 -2.215
140 HD3 ARG 18 1HD ARG 18 2.810 4.777 -1.745
141 HE ARG 18 HE ARG 18 5.503 4.791 -1.047
142 HH11 ARG 18 1HH1 ARG 18 6.079 2.980 -3.281
143 HH12 ARG 18 2HH1 ARG 18 6.246 4.053 -4.631
144 HH21 ARG 18 1HH2 ARG 18 4.677 6.710 -3.052
145 HH22 ARG 18 2HH2 ARG 18 5.452 6.164 -4.502
146 H HIS 19 H HIS 19 6.903 0.896 0.889
147 HA HIS 19 HA HIS 19 6.056 -1.555 -0.264
148 HB2 HIS 19 2HB HIS 19 8.530 -0.529 1.117
149 HB3 HIS 19 1HB HIS 19 8.462 -2.191 0.540
150 HD1 HIS 19 1HD HIS 19 9.343 -2.437 -1.771
151 HD2 HIS 19 2HD HIS 19 7.615 1.314 -1.191
152 HE1 HIS 19 1HE HIS 19 9.606 -1.181 -3.955
153 H GLU 20 H GLU 20 6.754 -0.698 3.119
154 HA GLU 20 HA GLU 20 6.387 -3.429 4.100
155 HB2 GLU 20 2HB GLU 20 7.881 -1.893 5.224
156 HB3 GLU 20 1HB GLU 20 6.605 -0.687 5.375
157 HG2 GLU 20 2HG GLU 20 5.653 -3.128 6.518
158 HG3 GLU 20 1HG GLU 20 7.251 -2.794 7.187
159 H CYS 21 H CYS 21 4.343 -0.679 3.458
160 HA CYS 21 HA CYS 21 2.190 -1.169 5.258
161 HB2 CYS 21 2HB CYS 21 2.347 0.878 4.015
162 HB3 CYS 21 1HB CYS 21 2.404 0.014 2.479
163 H CYS 22 H CYS 22 2.858 -2.476 2.006
164 HA CYS 22 HA CYS 22 0.375 -3.984 1.856
165 HB2 CYS 22 2HB CYS 22 3.016 -4.081 0.364
166 HB3 CYS 22 1HB CYS 22 1.585 -4.994 -0.116
167 H ARG 23 H ARG 23 3.796 -4.966 2.342
168 HA ARG 23 HA ARG 23 3.197 -7.725 2.892
169 HB2 ARG 23 2HB ARG 23 5.462 -5.841 2.977
170 HB3 ARG 23 1HB ARG 23 5.590 -7.164 4.136
171 HG2 ARG 23 2HG ARG 23 4.750 -8.518 1.929
172 HG3 ARG 23 1HG ARG 23 5.693 -7.229 1.179
173 HD2 ARG 23 2HD ARG 23 7.016 -8.414 3.527
174 HD3 ARG 23 1HD ARG 23 6.776 -9.556 2.189
175 HE ARG 23 HE ARG 23 7.754 -7.637 0.732
176 HH11 ARG 23 1HH2 ARG 23 8.152 -6.164 3.487
177 HH12 ARG 23 2HH2 ARG 23 9.869 -6.331 3.648
178 HH21 ARG 23 1HH1 ARG 23 10.134 -8.737 1.165
179 HH22 ARG 23 2HH1 ARG 23 10.991 -7.788 2.334
180 H ALA 24 H ALA 24 2.754 -4.889 4.765
181 HA ALA 24 HA ALA 24 3.044 -6.226 7.380
182 HB1 ALA 24 3HB ALA 24 2.267 -3.938 8.146
183 HB2 ALA 24 1HB ALA 24 2.150 -3.483 6.445
184 HB3 ALA 24 2HB ALA 24 3.714 -3.912 7.139
185 H HIS 25 H HIS 25 0.573 -5.726 5.018
186 HA HIS 25 HA HIS 25 -1.590 -6.196 7.021
187 HB2 HIS 25 2HB HIS 25 -1.255 -4.791 4.484
188 HB3 HIS 25 1HB HIS 25 -2.682 -5.827 4.472
189 HD1 HIS 25 1HD HIS 25 -1.124 -2.993 6.451
190 HD2 HIS 25 2HD HIS 25 -4.805 -4.910 6.053
191 HE1 HIS 25 1HE HIS 25 -2.792 -1.623 7.777
192 H GLY 26 H GLY 26 0.256 -7.790 4.570
193 HA2 GLY 26 2HA GLY 26 0.124 -10.280 4.579
194 HA3 GLY 26 1HA GLY 26 -1.627 -10.111 4.708
195 H ARG 27 H ARG 27 0.406 -8.142 2.596
196 HA ARG 27 HA ARG 27 -1.112 -9.226 0.266
197 HB2 ARG 27 2HB ARG 27 0.525 -6.715 0.724
198 HB3 ARG 27 1HB ARG 27 -0.316 -7.092 -0.775
199 HG2 ARG 27 2HG ARG 27 -1.481 -6.448 1.929
200 HG3 ARG 27 1HG ARG 27 -1.840 -5.705 0.370
201 HD2 ARG 27 2HD ARG 27 -2.887 -7.845 -0.381
202 HD3 ARG 27 1HD ARG 27 -2.598 -8.514 1.237
203 HE ARG 27 HE ARG 27 -3.869 -6.094 1.728
204 HH11 ARG 27 1HH2 ARG 27 -4.534 -9.222 0.540
205 HH12 ARG 27 2HH2 ARG 27 -6.239 -8.964 0.384
206 HH21 ARG 27 1HH1 ARG 27 -6.076 -5.608 1.237
207 HH22 ARG 27 2HH1 ARG 27 -7.112 -6.918 0.779
208 H SER 28 H SER 28 0.695 -8.439 -1.741
209 HA SER 28 HA SER 28 2.917 -10.401 -1.310
210 HB2 SER 28 2HB SER 28 2.161 -9.389 -4.007
211 HB3 SER 28 1HB SER 28 2.570 -11.025 -3.500
212 HG SER 28 HG SER 28 0.301 -10.615 -4.033
213 H GLY 29 H GLY 29 2.166 -7.156 -2.572
214 HA2 GLY 29 2HA GLY 29 4.681 -6.056 -1.781
215 HA3 GLY 29 1HA GLY 29 4.753 -6.459 -3.498
216 H TYR 30 H TYR 30 4.960 -3.807 -2.759
217 HA TYR 30 HA TYR 30 2.440 -2.398 -2.707
218 HB2 TYR 30 2HB TYR 30 3.849 -0.468 -2.919
219 HB3 TYR 30 1HB TYR 30 4.779 -1.643 -1.990
220 HD1 TYR 30 1HD TYR 30 6.587 -2.967 -3.090
221 HD2 TYR 30 2HD TYR 30 4.519 0.195 -5.134
222 HE1 TYR 30 1HE TYR 30 8.374 -2.908 -4.807
223 HE2 TYR 30 2HE TYR 30 6.309 0.255 -6.850
224 HH TYR 30 HH TYR 30 8.160 -0.716 -7.607
225 H ALA 31 H ALA 31 1.312 -1.423 -4.449
226 HA ALA 31 HA ALA 31 2.182 -2.290 -7.190
227 HB1 ALA 31 3HB ALA 31 -0.066 -3.013 -5.803
228 HB2 ALA 31 1HB ALA 31 0.036 -2.978 -7.563
229 HB3 ALA 31 2HB ALA 31 -0.651 -1.607 -6.693
230 H TYR 32 H TYR 32 -0.159 0.040 -5.827
231 HA TYR 32 HA TYR 32 1.213 2.398 -6.775
232 HB2 TYR 32 2HB TYR 32 -0.541 2.685 -8.702
233 HB3 TYR 32 1HB TYR 32 0.837 1.617 -8.969
234 HD1 TYR 32 2HD TYR 32 -2.751 1.682 -7.972
235 HD2 TYR 32 1HD TYR 32 0.538 -0.738 -9.309
236 HE1 TYR 32 2HE TYR 32 -4.300 -0.212 -8.347
237 HE2 TYR 32 1HE TYR 32 -1.014 -2.633 -9.682
238 HH TYR 32 HH TYR 32 -4.406 -2.264 -9.678
239 H CYS 33 H CYS 33 -0.232 4.338 -6.616
240 HA CYS 33 HA CYS 33 -2.449 3.854 -4.672
241 HB2 CYS 33 2HB CYS 33 -0.273 5.720 -4.959
242 HB3 CYS 33 1HB CYS 33 -1.797 6.606 -4.937
243 H SER 34 H SER 34 -4.434 3.819 -5.650
244 HA SER 34 HA SER 34 -5.069 5.943 -7.646
245 HB2 SER 34 2HB SER 34 -4.500 4.191 -9.096
246 HB3 SER 34 1HB SER 34 -5.080 2.953 -7.985
247 HG SER 34 HG SER 34 -6.514 4.646 -9.717
248 H GLY 35 H GLY 35 -7.402 6.255 -7.897
249 HA2 GLY 35 2HA GLY 35 -9.572 6.475 -7.038
250 HA3 GLY 35 1HA GLY 35 -9.410 4.793 -6.534
251 H GLY 36 H GLY 36 -7.849 7.856 -5.514
252 HA2 GLY 36 2HA GLY 36 -7.329 8.571 -3.325
253 HA3 GLY 36 1HA GLY 36 -9.040 8.240 -3.048
254 H GLY 37 H GLY 37 -6.857 5.673 -3.959
255 HA2 GLY 37 2HA GLY 37 -6.593 4.775 -1.148
256 HA3 GLY 37 1HA GLY 37 -7.458 3.710 -2.257
257 H MET 38 H MET 38 -5.781 2.096 -2.006
258 HA MET 38 HA MET 38 -3.490 2.578 -3.827
259 HB2 MET 38 2HB MET 38 -3.176 3.071 -1.192
260 HB3 MET 38 1HB MET 38 -2.850 1.338 -1.200
261 HG2 MET 38 2HG MET 38 -1.542 2.878 -3.364
262 HG3 MET 38 1HG MET 38 -0.962 3.226 -1.736
263 HE1 MET 38 3HE MET 38 1.383 2.420 -2.428
264 HE2 MET 38 1HE MET 38 0.807 2.027 -4.054
265 HE3 MET 38 2HE MET 38 1.751 0.851 -3.141
266 H TYR 39 H TYR 39 -2.246 0.444 -4.109
267 HA TYR 39 HA TYR 39 -3.925 -1.957 -3.579
268 HB2 TYR 39 2HB TYR 39 -2.907 -1.009 -6.276
269 HB3 TYR 39 1HB TYR 39 -3.719 -2.550 -5.991
270 HD1 TYR 39 2HD TYR 39 -4.134 1.133 -5.961
271 HD2 TYR 39 1HD TYR 39 -6.094 -2.674 -5.630
272 HE1 TYR 39 2HE TYR 39 -6.338 2.252 -6.149
273 HE2 TYR 39 1HE TYR 39 -8.298 -1.556 -5.816
274 HH TYR 39 HH TYR 39 -9.127 0.708 -6.884
275 H CYS 40 H CYS 40 -2.693 -3.855 -3.390
276 HA CYS 40 HA CYS 40 0.282 -3.493 -3.620
277 HB2 CYS 40 2HB CYS 40 -1.376 -5.209 -1.741
278 HB3 CYS 40 1HB CYS 40 0.382 -5.099 -1.733
279 H ASN 41 H ASN 41 1.096 -4.700 -5.280
280 HA ASN 41 HA ASN 41 -0.321 -6.644 -6.779
281 HB2 ASN 41 2HB ASN 41 2.122 -5.323 -6.826
282 HB3 ASN 41 1HB ASN 41 2.585 -7.015 -6.638
283 HD21 ASN 41 1HD2 ASN 41 3.310 -7.307 -8.836
284 HD22 ASN 41 2HD2 ASN 41 2.246 -7.258 -10.157
Start of MODEL 7
1 H1 ALA 1 1HT ALA 1 -1.896 -7.929 -7.698
2 H2 ALA 1 2HT ALA 1 -3.188 -8.946 -7.274
3 H3 ALA 1 3HT ALA 1 -2.327 -8.115 -6.069
4 HA ALA 1 HA ALA 1 -3.091 -5.989 -7.260
5 HB1 ALA 1 3HB ALA 1 -5.454 -6.863 -8.295
6 HB2 ALA 1 1HB ALA 1 -4.423 -8.251 -8.643
7 HB3 ALA 1 2HB ALA 1 -3.993 -6.655 -9.261
8 H VAL 2 H VAL 2 -3.496 -5.423 -5.092
9 HA VAL 2 HA VAL 2 -6.116 -6.343 -3.998
10 HB VAL 2 HB VAL 2 -4.835 -6.469 -1.748
11 HG11 VAL 2 1HG1 VAL 2 -4.062 -8.792 -2.271
12 HG12 VAL 2 2HG1 VAL 2 -4.333 -8.457 -3.981
13 HG13 VAL 2 3HG1 VAL 2 -5.691 -8.457 -2.857
14 HG21 VAL 2 3HG2 VAL 2 -2.434 -7.111 -3.402
15 HG22 VAL 2 1HG2 VAL 2 -2.527 -6.500 -1.750
16 HG23 VAL 2 2HG2 VAL 2 -2.783 -5.407 -3.109
17 H ARG 3 H ARG 3 -5.988 -4.978 -1.582
18 HA ARG 3 HA ARG 3 -5.307 -2.150 -2.213
19 HB2 ARG 3 2HB ARG 3 -7.495 -2.158 -2.982
20 HB3 ARG 3 1HB ARG 3 -7.985 -3.451 -1.899
21 HG2 ARG 3 2HG ARG 3 -8.966 -1.202 -1.314
22 HG3 ARG 3 1HG ARG 3 -8.046 -1.947 -0.008
23 HD2 ARG 3 2HD ARG 3 -6.033 -0.577 -0.862
24 HD3 ARG 3 1HD ARG 3 -7.221 0.349 -1.799
25 HE ARG 3 HE ARG 3 -7.186 0.141 1.182
26 HH11 ARG 3 1HH2 ARG 3 -9.721 0.528 -0.753
27 HH12 ARG 3 2HH2 ARG 3 -10.013 2.208 -0.447
28 HH21 ARG 3 1HH1 ARG 3 -6.977 2.717 1.149
29 HH22 ARG 3 2HH1 ARG 3 -8.459 3.447 0.629
30 H ILE 4 H ILE 4 -4.191 -1.469 -0.435
31 HA ILE 4 HA ILE 4 -4.762 -2.705 2.219
32 HB ILE 4 HB ILE 4 -2.470 -1.225 0.933
33 HG12 ILE 4 2HG1 ILE 4 -2.712 -3.688 0.637
34 HG13 ILE 4 1HG1 ILE 4 -1.251 -3.257 1.527
35 HG21 ILE 4 1HG2 ILE 4 -1.463 -1.762 3.358
36 HG22 ILE 4 2HG2 ILE 4 -3.143 -1.495 3.824
37 HG23 ILE 4 3HG2 ILE 4 -2.246 -0.224 2.994
38 HD11 ILE 4 3HD1 ILE 4 -3.821 -4.421 2.589
39 HD12 ILE 4 1HD1 ILE 4 -2.705 -3.562 3.651
40 HD13 ILE 4 2HD1 ILE 4 -2.173 -5.014 2.803
41 H GLY 5 H GLY 5 -5.143 -1.322 4.050
42 HA2 GLY 5 2HA GLY 5 -6.704 1.033 3.479
43 HA3 GLY 5 1HA GLY 5 -6.239 0.480 5.082
44 HA PRO 6 HA PRO 6 -3.249 3.641 5.348
45 HB2 PRO 6 2HB PRO 6 -1.054 2.438 6.437
46 HB3 PRO 6 1HB PRO 6 -2.537 2.787 7.339
47 HG2 PRO 6 2HG PRO 6 -1.561 0.222 6.215
48 HG3 PRO 6 1HG PRO 6 -2.500 0.524 7.684
49 HD2 PRO 6 2HD PRO 6 -3.544 -0.423 5.305
50 HD3 PRO 6 1HD PRO 6 -4.484 0.373 6.585
51 H CYS 7 H CYS 7 -3.040 1.804 2.801
52 HA CYS 7 HA CYS 7 -0.182 2.259 2.139
53 HB2 CYS 7 2HB CYS 7 -2.432 0.574 1.267
54 HB3 CYS 7 1HB CYS 7 -1.451 1.184 -0.059
55 H ASP 8 H ASP 8 -3.397 3.467 1.585
56 HA ASP 8 HA ASP 8 -2.576 5.273 -0.609
57 HB2 ASP 8 2HB ASP 8 -4.912 4.026 0.108
58 HB3 ASP 8 1HB ASP 8 -5.155 5.619 0.825
59 H GLN 9 H GLN 9 -2.954 5.163 2.840
60 HA GLN 9 HA GLN 9 -2.874 8.083 3.232
61 HB2 GLN 9 2HB GLN 9 -3.143 5.583 4.844
62 HB3 GLN 9 1HB GLN 9 -2.493 6.997 5.673
63 HG2 GLN 9 2HG GLN 9 -4.486 8.087 5.633
64 HG3 GLN 9 1HG GLN 9 -4.844 7.562 3.987
65 HE21 GLN 9 1HE2 GLN 9 -6.814 6.461 4.092
66 HE22 GLN 9 2HE2 GLN 9 -7.193 5.263 5.234
67 H VAL 10 H VAL 10 -0.734 5.247 3.714
68 HA VAL 10 HA VAL 10 1.540 7.035 4.398
69 HB VAL 10 HB VAL 10 0.839 4.683 5.377
70 HG11 VAL 10 1HG1 VAL 10 2.714 3.709 3.234
71 HG12 VAL 10 2HG1 VAL 10 0.978 3.764 2.928
72 HG13 VAL 10 3HG1 VAL 10 1.610 2.779 4.248
73 HG21 VAL 10 3HG2 VAL 10 3.473 4.184 5.433
74 HG22 VAL 10 1HG2 VAL 10 2.758 5.511 6.347
75 HG23 VAL 10 2HG2 VAL 10 3.532 5.827 4.795
76 H CYS 11 H CYS 11 0.092 6.483 1.616
77 HA CYS 11 HA CYS 11 2.029 5.381 -0.175
78 HB2 CYS 11 2HB CYS 11 -0.560 6.181 -0.267
79 HB3 CYS 11 1HB CYS 11 0.204 7.547 -1.079
80 HA PRO 12 HA PRO 12 3.395 9.900 -0.890
81 HB2 PRO 12 2HB PRO 12 2.600 11.800 0.907
82 HB3 PRO 12 1HB PRO 12 1.654 11.373 -0.531
83 HG2 PRO 12 2HG PRO 12 1.228 10.627 2.300
84 HG3 PRO 12 1HG PRO 12 0.048 10.906 1.013
85 HD2 PRO 12 2HD PRO 12 0.867 8.424 1.938
86 HD3 PRO 12 1HD PRO 12 0.062 8.727 0.384
87 H ARG 13 H ARG 13 3.694 8.011 1.778
88 HA ARG 13 HA ARG 13 5.596 9.662 3.307
89 HB2 ARG 13 2HB ARG 13 4.527 6.835 3.457
90 HB3 ARG 13 1HB ARG 13 5.779 7.417 4.555
91 HG2 ARG 13 2HG ARG 13 3.257 9.012 4.183
92 HG3 ARG 13 1HG ARG 13 3.268 7.623 5.271
93 HD2 ARG 13 2HD ARG 13 5.628 9.083 5.854
94 HD3 ARG 13 1HD ARG 13 4.311 10.269 5.752
95 HE ARG 13 HE ARG 13 4.465 8.027 7.666
96 HH11 ARG 13 1HH2 ARG 13 3.521 11.122 7.559
97 HH12 ARG 13 2HH2 ARG 13 1.908 10.896 8.147
98 HH21 ARG 13 1HH1 ARG 13 1.985 7.445 7.814
99 HH22 ARG 13 2HH1 ARG 13 1.038 8.815 8.292
100 H ILE 14 H ILE 14 7.711 8.246 3.904
101 HA ILE 14 HA ILE 14 9.451 8.283 1.697
102 HB ILE 14 HB ILE 14 10.894 6.869 3.195
103 HG12 ILE 14 2HG1 ILE 14 8.344 6.797 4.844
104 HG13 ILE 14 1HG1 ILE 14 9.181 5.415 4.142
105 HG21 ILE 14 1HG2 ILE 14 11.204 8.580 4.767
106 HG22 ILE 14 2HG2 ILE 14 9.481 8.944 4.853
107 HG23 ILE 14 3HG2 ILE 14 10.412 9.416 3.432
108 HD11 ILE 14 3HD1 ILE 14 10.014 7.152 6.452
109 HD12 ILE 14 1HD1 ILE 14 11.231 6.280 5.520
110 HD13 ILE 14 2HD1 ILE 14 9.955 5.392 6.353
111 H VAL 15 H VAL 15 10.769 5.906 1.479
112 HA VAL 15 HA VAL 15 8.977 4.348 -0.237
113 HB VAL 15 HB VAL 15 11.901 4.256 0.518
114 HG11 VAL 15 1HG1 VAL 15 11.553 2.679 -1.751
115 HG12 VAL 15 2HG1 VAL 15 10.225 2.192 -0.697
116 HG13 VAL 15 3HG1 VAL 15 11.889 2.087 -0.124
117 HG21 VAL 15 3HG2 VAL 15 11.836 5.911 -1.048
118 HG22 VAL 15 1HG2 VAL 15 10.238 5.432 -1.620
119 HG23 VAL 15 2HG2 VAL 15 11.673 4.585 -2.199
120 HA PRO 16 HA PRO 16 10.049 0.992 3.023
121 HB2 PRO 16 2HB PRO 16 10.683 1.859 5.544
122 HB3 PRO 16 1HB PRO 16 11.898 1.518 4.296
123 HG2 PRO 16 2HG PRO 16 10.792 4.123 5.200
124 HG3 PRO 16 1HG PRO 16 12.442 3.704 4.717
125 HD2 PRO 16 2HD PRO 16 10.687 5.025 3.113
126 HD3 PRO 16 1HD PRO 16 12.009 4.017 2.491
127 H GLU 17 H GLU 17 8.291 3.889 3.510
128 HA GLU 17 HA GLU 17 6.457 2.790 5.539
129 HB2 GLU 17 2HB GLU 17 7.228 5.320 4.484
130 HB3 GLU 17 1HB GLU 17 5.504 5.133 4.158
131 HG2 GLU 17 2HG GLU 17 5.128 5.712 6.303
132 HG3 GLU 17 1HG GLU 17 5.843 4.167 6.767
133 H ARG 18 H ARG 18 6.863 2.620 2.162
134 HA ARG 18 HA ARG 18 3.971 2.134 1.625
135 HB2 ARG 18 2HB ARG 18 6.407 2.947 0.142
136 HB3 ARG 18 1HB ARG 18 5.308 1.893 -0.747
137 HG2 ARG 18 2HG ARG 18 3.527 3.424 -0.607
138 HG3 ARG 18 1HG ARG 18 4.260 4.292 0.744
139 HD2 ARG 18 2HD ARG 18 4.421 5.514 -1.473
140 HD3 ARG 18 1HD ARG 18 5.995 5.199 -0.718
141 HE ARG 18 HE ARG 18 5.459 2.936 -2.276
142 HH11 ARG 18 1HH1 ARG 18 4.201 5.345 -3.848
143 HH12 ARG 18 2HH1 ARG 18 5.480 5.648 -4.976
144 HH21 ARG 18 1HH2 ARG 18 7.809 3.740 -3.254
145 HH22 ARG 18 2HH2 ARG 18 7.523 4.739 -4.640
146 H HIS 19 H HIS 19 7.144 0.600 0.928
147 HA HIS 19 HA HIS 19 6.168 -1.903 0.026
148 HB2 HIS 19 2HB HIS 19 8.661 -0.730 1.108
149 HB3 HIS 19 1HB HIS 19 8.546 -2.484 1.249
150 HD1 HIS 19 1HD HIS 19 7.872 -3.746 -1.091
151 HD2 HIS 19 2HD HIS 19 9.391 0.122 -1.424
152 HE1 HIS 19 1HE HIS 19 8.611 -3.470 -3.497
153 H GLU 20 H GLU 20 6.926 -0.800 3.333
154 HA GLU 20 HA GLU 20 6.397 -3.368 4.576
155 HB2 GLU 20 2HB GLU 20 7.839 -1.797 5.659
156 HB3 GLU 20 1HB GLU 20 6.646 -0.504 5.526
157 HG2 GLU 20 2HG GLU 20 5.587 -1.152 7.414
158 HG3 GLU 20 1HG GLU 20 5.599 -2.847 6.929
159 H CYS 21 H CYS 21 4.376 -0.801 3.427
160 HA CYS 21 HA CYS 21 2.151 -1.152 5.238
161 HB2 CYS 21 2HB CYS 21 2.418 0.859 3.923
162 HB3 CYS 21 1HB CYS 21 2.444 -0.067 2.422
163 H CYS 22 H CYS 22 2.842 -2.436 1.961
164 HA CYS 22 HA CYS 22 0.406 -4.021 1.864
165 HB2 CYS 22 2HB CYS 22 3.000 -4.145 0.289
166 HB3 CYS 22 1HB CYS 22 1.486 -4.916 -0.183
167 H ARG 23 H ARG 23 3.707 -4.561 2.965
168 HA ARG 23 HA ARG 23 3.344 -7.477 3.192
169 HB2 ARG 23 2HB ARG 23 5.457 -5.647 2.963
170 HB3 ARG 23 1HB ARG 23 5.599 -6.284 4.602
171 HG2 ARG 23 2HG ARG 23 5.055 -8.562 3.171
172 HG3 ARG 23 1HG ARG 23 6.021 -7.639 2.019
173 HD2 ARG 23 2HD ARG 23 7.571 -7.229 4.139
174 HD3 ARG 23 1HD ARG 23 6.809 -8.730 4.699
175 HE ARG 23 HE ARG 23 7.714 -8.834 1.915
176 HH11 ARG 23 1HH1 ARG 23 7.549 -11.173 3.821
177 HH12 ARG 23 2HH1 ARG 23 9.223 -11.486 4.137
178 HH21 ARG 23 1HH2 ARG 23 10.297 -8.419 2.926
179 HH22 ARG 23 2HH2 ARG 23 10.779 -9.927 3.629
180 H ALA 24 H ALA 24 2.780 -4.667 5.126
181 HA ALA 24 HA ALA 24 2.923 -6.102 7.701
182 HB1 ALA 24 3HB ALA 24 3.640 -3.821 7.666
183 HB2 ALA 24 1HB ALA 24 2.071 -3.804 8.470
184 HB3 ALA 24 2HB ALA 24 2.203 -3.310 6.781
185 H HIS 25 H HIS 25 0.670 -5.892 5.212
186 HA HIS 25 HA HIS 25 -1.649 -6.156 7.092
187 HB2 HIS 25 2HB HIS 25 -1.141 -4.840 4.543
188 HB3 HIS 25 1HB HIS 25 -2.555 -5.891 4.451
189 HD1 HIS 25 1HD HIS 25 -1.232 -2.853 6.227
190 HD2 HIS 25 2HD HIS 25 -4.750 -5.083 6.066
191 HE1 HIS 25 1HE HIS 25 -2.993 -1.500 7.443
192 H GLY 26 H GLY 26 -0.506 -7.473 3.949
193 HA2 GLY 26 2HA GLY 26 -0.362 -10.139 4.398
194 HA3 GLY 26 1HA GLY 26 -2.112 -9.907 4.380
195 H ARG 27 H ARG 27 0.295 -8.201 2.409
196 HA ARG 27 HA ARG 27 -1.110 -9.215 -0.026
197 HB2 ARG 27 2HB ARG 27 0.744 -6.839 0.210
198 HB3 ARG 27 1HB ARG 27 -0.505 -7.130 -0.994
199 HG2 ARG 27 2HG ARG 27 -0.999 -6.621 1.952
200 HG3 ARG 27 1HG ARG 27 -1.242 -5.448 0.657
201 HD2 ARG 27 2HD ARG 27 -3.206 -6.413 -0.010
202 HD3 ARG 27 1HD ARG 27 -2.596 -8.058 0.254
203 HE ARG 27 HE ARG 27 -2.814 -6.774 2.788
204 HH11 ARG 27 1HH2 ARG 27 -5.184 -6.661 0.458
205 HH12 ARG 27 2HH2 ARG 27 -6.357 -7.587 1.333
206 HH21 ARG 27 1HH1 ARG 27 -4.139 -8.532 3.825
207 HH22 ARG 27 2HH1 ARG 27 -5.765 -8.646 3.242
208 H SER 28 H SER 28 0.847 -8.612 -1.903
209 HA SER 28 HA SER 28 3.109 -10.425 -1.122
210 HB2 SER 28 2HB SER 28 1.750 -10.024 -3.806
211 HB3 SER 28 1HB SER 28 3.032 -11.183 -3.463
212 HG SER 28 HG SER 28 1.664 -12.327 -2.198
213 H GLY 29 H GLY 29 2.303 -7.273 -1.944
214 HA2 GLY 29 2HA GLY 29 4.836 -6.174 -1.955
215 HA3 GLY 29 1HA GLY 29 4.593 -6.647 -3.637
216 H TYR 30 H TYR 30 4.884 -4.002 -3.294
217 HA TYR 30 HA TYR 30 2.199 -2.771 -2.966
218 HB2 TYR 30 2HB TYR 30 3.413 -0.763 -2.688
219 HB3 TYR 30 1HB TYR 30 4.480 -1.976 -1.986
220 HD1 TYR 30 2HD TYR 30 6.392 -2.894 -3.360
221 HD2 TYR 30 1HD TYR 30 4.047 0.476 -4.625
222 HE1 TYR 30 2HE TYR 30 8.162 -2.270 -4.981
223 HE2 TYR 30 1HE TYR 30 5.817 1.099 -6.246
224 HH TYR 30 HH TYR 30 7.664 0.036 -7.448
225 H ALA 31 H ALA 31 1.159 -1.665 -4.693
226 HA ALA 31 HA ALA 31 2.260 -2.273 -7.418
227 HB1 ALA 31 3HB ALA 31 -0.572 -1.476 -7.043
228 HB2 ALA 31 1HB ALA 31 -0.109 -2.999 -6.284
229 HB3 ALA 31 2HB ALA 31 0.107 -2.778 -8.020
230 H TYR 32 H TYR 32 0.053 0.106 -5.911
231 HA TYR 32 HA TYR 32 1.590 2.419 -6.701
232 HB2 TYR 32 2HB TYR 32 -0.167 2.991 -8.560
233 HB3 TYR 32 1HB TYR 32 1.115 1.841 -8.940
234 HD1 TYR 32 1HD TYR 32 -2.424 2.074 -7.774
235 HD2 TYR 32 2HD TYR 32 0.608 -0.406 -9.542
236 HE1 TYR 32 1HE TYR 32 -4.126 0.341 -8.256
237 HE2 TYR 32 2HE TYR 32 -1.098 -2.136 -10.027
238 HH TYR 32 HH TYR 32 -4.519 -1.541 -9.535
239 H CYS 33 H CYS 33 -0.505 4.215 -7.191
240 HA CYS 33 HA CYS 33 -2.368 3.854 -4.873
241 HB2 CYS 33 2HB CYS 33 -0.121 5.588 -5.105
242 HB3 CYS 33 1HB CYS 33 -1.562 6.599 -5.201
243 H SER 34 H SER 34 -4.426 4.050 -5.658
244 HA SER 34 HA SER 34 -4.874 5.866 -8.006
245 HB2 SER 34 2HB SER 34 -5.694 4.011 -9.001
246 HB3 SER 34 1HB SER 34 -5.376 3.075 -7.543
247 HG SER 34 HG SER 34 -7.656 4.716 -7.984
248 H GLY 35 H GLY 35 -7.086 6.829 -8.056
249 HA2 GLY 35 2HA GLY 35 -7.799 8.057 -5.579
250 HA3 GLY 35 1HA GLY 35 -8.794 8.071 -7.035
251 H GLY 36 H GLY 36 -9.081 7.327 -3.941
252 HA2 GLY 36 2HA GLY 36 -11.172 6.187 -3.248
253 HA3 GLY 36 1HA GLY 36 -10.856 4.987 -4.503
254 H GLY 37 H GLY 37 -7.982 4.836 -3.900
255 HA2 GLY 37 2HA GLY 37 -7.296 4.281 -1.261
256 HA3 GLY 37 1HA GLY 37 -8.114 2.820 -1.820
257 H MET 38 H MET 38 -5.492 2.552 -1.142
258 HA MET 38 HA MET 38 -3.856 2.789 -3.612
259 HB2 MET 38 2HB MET 38 -3.244 3.322 -1.099
260 HB3 MET 38 1HB MET 38 -2.974 1.582 -1.006
261 HG2 MET 38 2HG MET 38 -1.779 3.015 -3.328
262 HG3 MET 38 1HG MET 38 -1.035 3.282 -1.754
263 HE1 MET 38 3HE MET 38 0.834 2.685 -2.916
264 HE2 MET 38 1HE MET 38 1.367 1.087 -3.457
265 HE3 MET 38 2HE MET 38 1.421 1.505 -1.747
266 H TYR 39 H TYR 39 -2.566 0.803 -4.234
267 HA TYR 39 HA TYR 39 -4.049 -1.731 -3.642
268 HB2 TYR 39 2HB TYR 39 -3.083 -0.606 -6.288
269 HB3 TYR 39 1HB TYR 39 -3.708 -2.244 -6.085
270 HD1 TYR 39 1HD TYR 39 -4.570 1.358 -5.673
271 HD2 TYR 39 2HD TYR 39 -6.038 -2.667 -5.968
272 HE1 TYR 39 1HE TYR 39 -6.891 2.215 -5.824
273 HE2 TYR 39 2HE TYR 39 -8.359 -1.812 -6.121
274 HH TYR 39 HH TYR 39 -9.372 0.930 -5.180
275 H CYS 40 H CYS 40 -2.728 -3.557 -3.429
276 HA CYS 40 HA CYS 40 0.229 -3.043 -3.573
277 HB2 CYS 40 2HB CYS 40 -1.482 -4.832 -1.819
278 HB3 CYS 40 1HB CYS 40 0.280 -4.861 -1.809
279 H ASN 41 H ASN 41 1.463 -4.467 -4.796
280 HA ASN 41 HA ASN 41 0.369 -6.037 -6.855
281 HB2 ASN 41 2HB ASN 41 2.849 -5.251 -5.985
282 HB3 ASN 41 1HB ASN 41 2.910 -6.987 -5.677
283 HD21 ASN 41 1HD2 ASN 41 4.043 -5.067 -7.923
284 HD22 ASN 41 2HD2 ASN 41 3.679 -5.916 -9.347
Start of MODEL 8
1 H1 ALA 1 1HT ALA 1 -3.994 -8.576 -8.117
2 H2 ALA 1 2HT ALA 1 -3.961 -7.352 -9.295
3 H3 ALA 1 3HT ALA 1 -5.381 -7.646 -8.410
4 HA ALA 1 HA ALA 1 -2.968 -6.958 -6.893
5 HB1 ALA 1 3HB ALA 1 -3.251 -5.536 -9.050
6 HB2 ALA 1 1HB ALA 1 -3.077 -4.677 -7.520
7 HB3 ALA 1 2HB ALA 1 -4.671 -4.865 -8.248
8 H VAL 2 H VAL 2 -3.658 -5.858 -4.922
9 HA VAL 2 HA VAL 2 -6.581 -6.200 -4.333
10 HB VAL 2 HB VAL 2 -5.725 -6.651 -1.989
11 HG11 VAL 2 1HG1 VAL 2 -5.906 -8.324 -4.198
12 HG12 VAL 2 2HG1 VAL 2 -5.745 -8.849 -2.522
13 HG13 VAL 2 3HG1 VAL 2 -4.312 -8.693 -3.538
14 HG21 VAL 2 3HG2 VAL 2 -3.539 -6.381 -1.506
15 HG22 VAL 2 1HG2 VAL 2 -3.344 -5.654 -3.100
16 HG23 VAL 2 2HG2 VAL 2 -3.057 -7.379 -2.877
17 H ARG 3 H ARG 3 -6.441 -4.941 -1.780
18 HA ARG 3 HA ARG 3 -5.458 -2.184 -2.307
19 HB2 ARG 3 2HB ARG 3 -7.604 -1.972 -3.173
20 HB3 ARG 3 1HB ARG 3 -8.267 -3.207 -2.114
21 HG2 ARG 3 2HG ARG 3 -9.016 -0.857 -1.562
22 HG3 ARG 3 1HG ARG 3 -8.249 -1.710 -0.223
23 HD2 ARG 3 2HD ARG 3 -6.052 -0.584 -1.012
24 HD3 ARG 3 1HD ARG 3 -7.107 0.501 -1.936
25 HE ARG 3 HE ARG 3 -7.301 0.135 1.036
26 HH11 ARG 3 1HH1 ARG 3 -8.772 1.532 -1.651
27 HH12 ARG 3 2HH1 ARG 3 -8.881 3.125 -0.978
28 HH21 ARG 3 1HH2 ARG 3 -6.980 2.361 1.821
29 HH22 ARG 3 2HH2 ARG 3 -7.866 3.594 0.988
30 H ILE 4 H ILE 4 -4.384 -1.611 -0.480
31 HA ILE 4 HA ILE 4 -5.156 -2.830 2.131
32 HB ILE 4 HB ILE 4 -2.706 -1.571 0.918
33 HG12 ILE 4 2HG1 ILE 4 -3.150 -4.018 0.711
34 HG13 ILE 4 1HG1 ILE 4 -1.680 -3.674 1.622
35 HG21 ILE 4 1HG2 ILE 4 -1.683 -1.883 3.259
36 HG22 ILE 4 2HG2 ILE 4 -3.345 -1.911 3.850
37 HG23 ILE 4 3HG2 ILE 4 -2.725 -0.479 3.029
38 HD11 ILE 4 3HD1 ILE 4 -3.188 -3.774 3.720
39 HD12 ILE 4 1HD1 ILE 4 -2.789 -5.300 2.930
40 HD13 ILE 4 2HD1 ILE 4 -4.367 -4.557 2.668
41 H GLY 5 H GLY 5 -5.456 -1.421 3.973
42 HA2 GLY 5 2HA GLY 5 -6.782 1.071 3.350
43 HA3 GLY 5 1HA GLY 5 -6.459 0.459 4.967
44 HA PRO 6 HA PRO 6 -3.147 3.263 5.412
45 HB2 PRO 6 2HB PRO 6 -1.128 1.814 6.534
46 HB3 PRO 6 1HB PRO 6 -2.596 2.289 7.398
47 HG2 PRO 6 2HG PRO 6 -1.843 -0.333 6.242
48 HG3 PRO 6 1HG PRO 6 -2.810 0.029 7.678
49 HD2 PRO 6 2HD PRO 6 -3.831 -0.745 5.221
50 HD3 PRO 6 1HD PRO 6 -4.749 0.084 6.495
51 H CYS 7 H CYS 7 -3.047 1.486 2.815
52 HA CYS 7 HA CYS 7 -0.133 1.659 2.261
53 HB2 CYS 7 2HB CYS 7 -2.509 0.250 1.246
54 HB3 CYS 7 1HB CYS 7 -1.435 0.813 -0.028
55 H ASP 8 H ASP 8 -3.229 3.117 1.530
56 HA ASP 8 HA ASP 8 -2.088 4.984 -0.465
57 HB2 ASP 8 2HB ASP 8 -4.466 3.847 -0.353
58 HB3 ASP 8 1HB ASP 8 -4.823 5.137 0.797
59 H GLN 9 H GLN 9 -3.090 4.781 2.892
60 HA GLN 9 HA GLN 9 -2.971 7.613 3.505
61 HB2 GLN 9 2HB GLN 9 -2.754 5.077 5.166
62 HB3 GLN 9 1HB GLN 9 -2.944 6.693 5.848
63 HG2 GLN 9 2HG GLN 9 -5.060 6.955 4.557
64 HG3 GLN 9 1HG GLN 9 -4.887 5.293 3.988
65 HE21 GLN 9 1HE2 GLN 9 -7.094 5.170 5.227
66 HE22 GLN 9 2HE2 GLN 9 -7.009 4.779 6.876
67 H VAL 10 H VAL 10 -0.724 4.848 3.875
68 HA VAL 10 HA VAL 10 1.450 6.695 4.714
69 HB VAL 10 HB VAL 10 0.849 4.300 5.594
70 HG11 VAL 10 1HG1 VAL 10 2.679 3.476 3.340
71 HG12 VAL 10 2HG1 VAL 10 0.926 3.441 3.145
72 HG13 VAL 10 3HG1 VAL 10 1.695 2.453 4.388
73 HG21 VAL 10 3HG2 VAL 10 3.465 3.831 5.644
74 HG22 VAL 10 1HG2 VAL 10 2.774 5.183 6.541
75 HG23 VAL 10 2HG2 VAL 10 3.539 5.461 4.976
76 H CYS 11 H CYS 11 0.092 6.207 1.865
77 HA CYS 11 HA CYS 11 2.140 5.298 0.085
78 HB2 CYS 11 2HB CYS 11 -0.452 5.802 -0.129
79 HB3 CYS 11 1HB CYS 11 0.115 7.386 -0.652
80 HA PRO 12 HA PRO 12 3.254 9.920 -0.375
81 HB2 PRO 12 2HB PRO 12 2.374 11.663 1.537
82 HB3 PRO 12 1HB PRO 12 1.445 11.283 0.074
83 HG2 PRO 12 2HG PRO 12 1.065 10.340 2.853
84 HG3 PRO 12 1HG PRO 12 -0.132 10.649 1.589
85 HD2 PRO 12 2HD PRO 12 0.793 8.151 2.348
86 HD3 PRO 12 1HD PRO 12 -0.020 8.521 0.812
87 H ARG 13 H ARG 13 3.614 7.896 2.196
88 HA ARG 13 HA ARG 13 5.434 9.515 3.841
89 HB2 ARG 13 2HB ARG 13 4.602 6.602 3.744
90 HB3 ARG 13 1HB ARG 13 5.736 7.232 4.938
91 HG2 ARG 13 2HG ARG 13 2.957 8.359 4.508
92 HG3 ARG 13 1HG ARG 13 3.345 7.155 5.736
93 HD2 ARG 13 2HD ARG 13 4.419 8.677 7.073
94 HD3 ARG 13 1HD ARG 13 5.105 9.552 5.688
95 HE ARG 13 HE ARG 13 2.205 9.765 6.412
96 HH11 ARG 13 1HH1 ARG 13 3.687 10.914 3.899
97 HH12 ARG 13 2HH1 ARG 13 3.776 12.583 4.355
98 HH21 ARG 13 1HH2 ARG 13 2.983 11.990 7.678
99 HH22 ARG 13 2HH2 ARG 13 3.377 13.192 6.495
100 H ILE 14 H ILE 14 7.620 8.104 4.330
101 HA ILE 14 HA ILE 14 9.364 8.461 2.148
102 HB ILE 14 HB ILE 14 10.865 6.959 3.493
103 HG12 ILE 14 2HG1 ILE 14 8.328 6.595 5.120
104 HG13 ILE 14 1HG1 ILE 14 9.199 5.337 4.244
105 HG21 ILE 14 1HG2 ILE 14 9.471 8.653 5.504
106 HG22 ILE 14 2HG2 ILE 14 10.054 9.459 4.047
107 HG23 ILE 14 3HG2 ILE 14 11.183 8.583 5.082
108 HD11 ILE 14 3HD1 ILE 14 11.234 6.148 5.717
109 HD12 ILE 14 1HD1 ILE 14 10.041 5.039 6.393
110 HD13 ILE 14 2HD1 ILE 14 9.960 6.759 6.772
111 H VAL 15 H VAL 15 10.772 6.162 1.687
112 HA VAL 15 HA VAL 15 9.023 4.735 -0.182
113 HB VAL 15 HB VAL 15 11.951 4.623 0.559
114 HG11 VAL 15 1HG1 VAL 15 11.872 3.276 -1.756
115 HG12 VAL 15 2HG1 VAL 15 10.280 2.829 -1.146
116 HG13 VAL 15 3HG1 VAL 15 11.722 2.455 -0.202
117 HG21 VAL 15 3HG2 VAL 15 10.725 6.519 -0.836
118 HG22 VAL 15 1HG2 VAL 15 10.817 5.323 -2.129
119 HG23 VAL 15 2HG2 VAL 15 12.293 5.900 -1.356
120 HA PRO 16 HA PRO 16 10.190 1.096 2.705
121 HB2 PRO 16 2HB PRO 16 10.917 1.704 5.275
122 HB3 PRO 16 1HB PRO 16 12.086 1.511 3.954
123 HG2 PRO 16 2HG PRO 16 11.007 3.992 5.179
124 HG3 PRO 16 1HG PRO 16 12.633 3.645 4.570
125 HD2 PRO 16 2HD PRO 16 10.767 5.108 3.214
126 HD3 PRO 16 1HD PRO 16 12.090 4.222 2.427
127 H GLU 17 H GLU 17 8.372 3.863 3.408
128 HA GLU 17 HA GLU 17 6.629 2.520 5.403
129 HB2 GLU 17 2HB GLU 17 7.224 5.248 4.431
130 HB3 GLU 17 1HB GLU 17 5.524 4.963 4.795
131 HG2 GLU 17 2HG GLU 17 7.791 4.303 6.695
132 HG3 GLU 17 1HG GLU 17 6.849 5.792 6.766
133 H ARG 18 H ARG 18 6.897 3.040 2.019
134 HA ARG 18 HA ARG 18 3.990 2.690 1.517
135 HB2 ARG 18 2HB ARG 18 6.317 3.829 0.207
136 HB3 ARG 18 1HB ARG 18 5.474 2.722 -0.878
137 HG2 ARG 18 2HG ARG 18 3.333 3.899 -0.339
138 HG3 ARG 18 1HG ARG 18 4.255 5.064 0.614
139 HD2 ARG 18 2HD ARG 18 5.026 4.526 -2.253
140 HD3 ARG 18 1HD ARG 18 3.723 5.670 -1.870
141 HE ARG 18 HE ARG 18 5.691 6.444 -0.130
142 HH11 ARG 18 1HH1 ARG 18 4.960 6.882 -3.358
143 HH12 ARG 18 2HH1 ARG 18 6.513 7.499 -3.818
144 HH21 ARG 18 1HH2 ARG 18 8.001 6.761 -0.774
145 HH22 ARG 18 2HH2 ARG 18 8.233 7.429 -2.354
146 H HIS 19 H HIS 19 7.064 1.141 0.462
147 HA HIS 19 HA HIS 19 5.842 -1.162 -0.714
148 HB2 HIS 19 2HB HIS 19 8.526 -0.337 0.324
149 HB3 HIS 19 1HB HIS 19 8.276 -2.039 -0.056
150 HD1 HIS 19 1HD HIS 19 6.996 -2.322 -2.570
151 HD2 HIS 19 2HD HIS 19 9.334 1.065 -1.899
152 HE1 HIS 19 1HE HIS 19 7.574 -1.387 -4.852
153 H GLU 20 H GLU 20 6.553 -0.340 2.614
154 HA GLU 20 HA GLU 20 6.287 -3.112 3.575
155 HB2 GLU 20 2HB GLU 20 7.849 -1.467 4.565
156 HB3 GLU 20 1HB GLU 20 6.484 -0.437 4.994
157 HG2 GLU 20 2HG GLU 20 5.968 -3.094 5.949
158 HG3 GLU 20 1HG GLU 20 7.568 -2.595 6.493
159 H CYS 21 H CYS 21 4.158 -0.518 2.832
160 HA CYS 21 HA CYS 21 2.147 -0.972 4.852
161 HB2 CYS 21 2HB CYS 21 0.936 0.617 3.610
162 HB3 CYS 21 1HB CYS 21 2.603 1.009 3.212
163 H CYS 22 H CYS 22 2.681 -2.277 1.591
164 HA CYS 22 HA CYS 22 0.188 -3.781 1.520
165 HB2 CYS 22 2HB CYS 22 2.757 -3.656 -0.056
166 HB3 CYS 22 1HB CYS 22 1.556 -4.899 -0.409
167 H ARG 23 H ARG 23 3.618 -4.680 2.063
168 HA ARG 23 HA ARG 23 3.023 -7.463 2.627
169 HB2 ARG 23 2HB ARG 23 5.353 -5.580 2.868
170 HB3 ARG 23 1HB ARG 23 5.453 -7.175 3.615
171 HG2 ARG 23 2HG ARG 23 4.639 -8.061 1.310
172 HG3 ARG 23 1HG ARG 23 5.132 -6.481 0.701
173 HD2 ARG 23 2HD ARG 23 7.001 -8.180 2.371
174 HD3 ARG 23 1HD ARG 23 6.919 -8.330 0.604
175 HE ARG 23 HE ARG 23 7.404 -5.680 1.912
176 HH11 ARG 23 1HH2 ARG 23 7.075 -6.269 -1.125
177 HH12 ARG 23 2HH2 ARG 23 8.730 -6.181 -1.629
178 HH21 ARG 23 1HH1 ARG 23 10.000 -6.374 1.592
179 HH22 ARG 23 2HH1 ARG 23 10.385 -6.239 -0.091
180 H ALA 24 H ALA 24 2.690 -4.581 4.449
181 HA ALA 24 HA ALA 24 3.187 -5.728 7.090
182 HB1 ALA 24 3HB ALA 24 3.516 -3.404 6.879
183 HB2 ALA 24 1HB ALA 24 1.946 -3.505 7.676
184 HB3 ALA 24 2HB ALA 24 2.037 -3.189 5.942
185 H HIS 25 H HIS 25 0.434 -5.425 4.931
186 HA HIS 25 HA HIS 25 -1.407 -6.369 7.090
187 HB2 HIS 25 2HB HIS 25 -1.713 -5.001 4.416
188 HB3 HIS 25 1HB HIS 25 -3.098 -5.726 5.235
189 HD1 HIS 25 1HD HIS 25 -4.311 -3.670 6.068
190 HD2 HIS 25 2HD HIS 25 -0.258 -3.620 7.045
191 HE1 HIS 25 1HE HIS 25 -3.971 -1.694 7.616
192 H GLY 26 H GLY 26 0.308 -8.365 6.233
193 HA2 GLY 26 2HA GLY 26 0.422 -10.436 5.102
194 HA3 GLY 26 1HA GLY 26 -1.287 -10.512 5.534
195 H ARG 27 H ARG 27 0.195 -8.167 3.337
196 HA ARG 27 HA ARG 27 -1.565 -9.238 1.162
197 HB2 ARG 27 2HB ARG 27 -1.427 -6.761 2.320
198 HB3 ARG 27 1HB ARG 27 -0.339 -6.553 0.948
199 HG2 ARG 27 2HG ARG 27 -2.721 -5.984 0.417
200 HG3 ARG 27 1HG ARG 27 -2.065 -7.266 -0.601
201 HD2 ARG 27 2HD ARG 27 -3.258 -8.333 1.847
202 HD3 ARG 27 1HD ARG 27 -4.428 -7.430 0.863
203 HE ARG 27 HE ARG 27 -2.771 -9.112 -0.802
204 HH11 ARG 27 1HH1 ARG 27 -5.864 -8.572 0.372
205 HH12 ARG 27 2HH1 ARG 27 -6.428 -10.194 0.142
206 HH21 ARG 27 1HH2 ARG 27 -3.298 -11.449 -0.667
207 HH22 ARG 27 2HH2 ARG 27 -4.974 -11.823 -0.446
208 H SER 28 H SER 28 -0.113 -7.557 -0.794
209 HA SER 28 HA SER 28 2.254 -9.342 -1.187
210 HB2 SER 28 2HB SER 28 1.010 -7.558 -3.266
211 HB3 SER 28 1HB SER 28 1.822 -9.107 -3.481
212 HG SER 28 HG SER 28 -0.107 -9.924 -3.396
213 H GLY 29 H GLY 29 3.087 -7.312 -3.317
214 HA2 GLY 29 2HA GLY 29 4.562 -5.522 -1.446
215 HA3 GLY 29 1HA GLY 29 5.078 -5.924 -3.084
216 H TYR 30 H TYR 30 4.770 -3.244 -2.016
217 HA TYR 30 HA TYR 30 2.419 -1.867 -2.601
218 HB2 TYR 30 2HB TYR 30 4.283 -0.720 -1.676
219 HB3 TYR 30 1HB TYR 30 5.348 -1.232 -2.985
220 HD1 TYR 30 2HD TYR 30 1.876 0.059 -3.325
221 HD2 TYR 30 1HD TYR 30 6.060 0.877 -3.845
222 HE1 TYR 30 2HE TYR 30 1.316 2.118 -4.588
223 HE2 TYR 30 1HE TYR 30 5.501 2.937 -5.108
224 HH TYR 30 HH TYR 30 3.692 3.892 -6.353
225 H ALA 31 H ALA 31 1.193 -1.831 -4.434
226 HA ALA 31 HA ALA 31 2.423 -2.587 -7.036
227 HB1 ALA 31 3HB ALA 31 0.253 -3.189 -7.631
228 HB2 ALA 31 1HB ALA 31 -0.474 -1.938 -6.623
229 HB3 ALA 31 2HB ALA 31 0.169 -3.402 -5.882
230 H TYR 32 H TYR 32 0.029 -0.161 -5.962
231 HA TYR 32 HA TYR 32 1.413 2.101 -7.096
232 HB2 TYR 32 2HB TYR 32 -0.310 2.236 -9.054
233 HB3 TYR 32 1HB TYR 32 1.040 1.113 -9.214
234 HD1 TYR 32 1HD TYR 32 -2.565 1.393 -8.398
235 HD2 TYR 32 2HD TYR 32 0.700 -1.286 -9.193
236 HE1 TYR 32 1HE TYR 32 -4.163 -0.487 -8.608
237 HE2 TYR 32 2HE TYR 32 -0.902 -3.164 -9.405
238 HH TYR 32 HH TYR 32 -3.099 -3.691 -9.646
239 H CYS 33 H CYS 33 0.356 3.985 -6.425
240 HA CYS 33 HA CYS 33 -2.065 3.662 -4.771
241 HB2 CYS 33 2HB CYS 33 0.203 5.407 -5.008
242 HB3 CYS 33 1HB CYS 33 -1.260 6.383 -5.122
243 H SER 34 H SER 34 -3.990 3.622 -5.875
244 HA SER 34 HA SER 34 -4.330 5.521 -8.174
245 HB2 SER 34 2HB SER 34 -4.862 3.654 -9.329
246 HB3 SER 34 1HB SER 34 -4.671 2.676 -7.877
247 HG SER 34 HG SER 34 -6.805 3.074 -7.364
248 H GLY 35 H GLY 35 -6.042 6.943 -8.019
249 HA2 GLY 35 2HA GLY 35 -7.870 8.074 -7.080
250 HA3 GLY 35 1HA GLY 35 -8.481 6.479 -6.638
251 H GLY 36 H GLY 36 -9.216 7.285 -4.584
252 HA2 GLY 36 2HA GLY 36 -7.218 8.393 -2.724
253 HA3 GLY 36 1HA GLY 36 -8.929 8.136 -2.375
254 H GLY 37 H GLY 37 -6.564 5.783 -3.618
255 HA2 GLY 37 2HA GLY 37 -6.306 4.431 -1.054
256 HA3 GLY 37 1HA GLY 37 -7.389 3.581 -2.158
257 H MET 38 H MET 38 -5.010 2.372 -1.344
258 HA MET 38 HA MET 38 -3.330 2.541 -3.827
259 HB2 MET 38 2HB MET 38 -2.135 3.324 -1.866
260 HB3 MET 38 1HB MET 38 -2.637 1.908 -0.943
261 HG2 MET 38 2HG MET 38 -0.998 0.618 -1.828
262 HG3 MET 38 1HG MET 38 -1.305 1.213 -3.459
263 HE1 MET 38 3HE MET 38 0.832 0.524 -1.158
264 HE2 MET 38 1HE MET 38 1.259 1.952 -0.202
265 HE3 MET 38 2HE MET 38 2.291 1.438 -1.533
266 H TYR 39 H TYR 39 -2.554 0.493 -4.638
267 HA TYR 39 HA TYR 39 -4.063 -1.882 -3.600
268 HB2 TYR 39 2HB TYR 39 -3.277 -1.153 -6.440
269 HB3 TYR 39 1HB TYR 39 -4.232 -2.557 -5.961
270 HD1 TYR 39 1HD TYR 39 -4.180 1.181 -5.630
271 HD2 TYR 39 2HD TYR 39 -6.561 -2.387 -5.870
272 HE1 TYR 39 1HE TYR 39 -6.242 2.557 -5.661
273 HE2 TYR 39 2HE TYR 39 -8.623 -1.010 -5.904
274 HH TYR 39 HH TYR 39 -9.467 1.036 -5.820
275 H CYS 40 H CYS 40 -2.915 -3.904 -3.696
276 HA CYS 40 HA CYS 40 0.058 -3.577 -3.974
277 HB2 CYS 40 2HB CYS 40 -1.520 -5.626 -2.389
278 HB3 CYS 40 1HB CYS 40 0.212 -5.316 -2.287
279 H ASN 41 H ASN 41 1.084 -5.871 -4.454
280 HA ASN 41 HA ASN 41 -0.224 -6.871 -6.921
281 HB2 ASN 41 2HB ASN 41 2.488 -6.755 -5.709
282 HB3 ASN 41 1HB ASN 41 2.163 -8.150 -6.740
283 HD21 ASN 41 1HD2 ASN 41 3.856 -5.630 -7.223
284 HD22 ASN 41 2HD2 ASN 41 3.277 -5.019 -8.697
Start of MODEL 9
1 H1 ALA 1 1HT ALA 1 -4.559 -8.725 -8.363
2 H2 ALA 1 2HT ALA 1 -3.592 -8.924 -6.980
3 H3 ALA 1 3HT ALA 1 -2.894 -8.406 -8.440
4 HA ALA 1 HA ALA 1 -3.070 -6.443 -7.201
5 HB1 ALA 1 3HB ALA 1 -5.327 -5.546 -8.404
6 HB2 ALA 1 1HB ALA 1 -5.094 -7.050 -9.295
7 HB3 ALA 1 2HB ALA 1 -3.824 -5.825 -9.284
8 H VAL 2 H VAL 2 -3.925 -5.451 -5.382
9 HA VAL 2 HA VAL 2 -6.620 -6.279 -4.416
10 HB VAL 2 HB VAL 2 -5.492 -6.588 -2.129
11 HG11 VAL 2 1HG1 VAL 2 -5.631 -8.789 -2.599
12 HG12 VAL 2 2HG1 VAL 2 -4.255 -8.698 -3.698
13 HG13 VAL 2 3HG1 VAL 2 -5.879 -8.339 -4.286
14 HG21 VAL 2 3HG2 VAL 2 -3.295 -5.585 -3.524
15 HG22 VAL 2 1HG2 VAL 2 -2.954 -7.310 -3.386
16 HG23 VAL 2 2HG2 VAL 2 -3.250 -6.350 -1.936
17 H ARG 3 H ARG 3 -6.408 -4.977 -1.912
18 HA ARG 3 HA ARG 3 -5.597 -2.180 -2.495
19 HB2 ARG 3 2HB ARG 3 -7.771 -2.047 -3.273
20 HB3 ARG 3 1HB ARG 3 -8.335 -3.348 -2.241
21 HG2 ARG 3 2HG ARG 3 -9.214 -1.071 -1.598
22 HG3 ARG 3 1HG ARG 3 -8.360 -1.909 -0.304
23 HD2 ARG 3 2HD ARG 3 -6.256 -0.611 -1.189
24 HD3 ARG 3 1HD ARG 3 -7.462 0.462 -1.928
25 HE ARG 3 HE ARG 3 -7.415 -0.175 1.003
26 HH11 ARG 3 1HH1 ARG 3 -9.851 1.055 -0.456
27 HH12 ARG 3 2HH1 ARG 3 -9.641 2.727 -0.055
28 HH21 ARG 3 1HH2 ARG 3 -6.359 2.335 0.992
29 HH22 ARG 3 2HH2 ARG 3 -7.664 3.452 0.765
30 H ILE 4 H ILE 4 -4.431 -1.612 -0.702
31 HA ILE 4 HA ILE 4 -5.093 -2.855 1.926
32 HB ILE 4 HB ILE 4 -2.717 -1.443 0.710
33 HG12 ILE 4 2HG1 ILE 4 -3.056 -3.884 0.328
34 HG13 ILE 4 1HG1 ILE 4 -1.598 -3.551 1.263
35 HG21 ILE 4 1HG2 ILE 4 -3.414 -1.863 3.595
36 HG22 ILE 4 2HG2 ILE 4 -2.575 -0.511 2.834
37 HG23 ILE 4 3HG2 ILE 4 -1.731 -2.038 3.095
38 HD11 ILE 4 3HD1 ILE 4 -2.375 -4.780 2.978
39 HD12 ILE 4 1HD1 ILE 4 -3.779 -5.208 1.999
40 HD13 ILE 4 2HD1 ILE 4 -3.836 -3.796 3.055
41 H GLY 5 H GLY 5 -5.243 -1.442 3.818
42 HA2 GLY 5 2HA GLY 5 -6.703 1.014 3.249
43 HA3 GLY 5 1HA GLY 5 -6.362 0.363 4.848
44 HA PRO 6 HA PRO 6 -3.120 3.230 5.368
45 HB2 PRO 6 2HB PRO 6 -1.074 1.801 6.468
46 HB3 PRO 6 1HB PRO 6 -2.559 2.226 7.335
47 HG2 PRO 6 2HG PRO 6 -1.744 -0.353 6.127
48 HG3 PRO 6 1HG PRO 6 -2.725 -0.043 7.565
49 HD2 PRO 6 2HD PRO 6 -3.719 -0.786 5.088
50 HD3 PRO 6 1HD PRO 6 -4.658 -0.002 6.374
51 H CYS 7 H CYS 7 -2.956 1.495 2.735
52 HA CYS 7 HA CYS 7 -0.045 1.769 2.206
53 HB2 CYS 7 2HB CYS 7 -2.390 0.345 1.102
54 HB3 CYS 7 1HB CYS 7 -1.229 0.889 -0.100
55 H ASP 8 H ASP 8 -3.162 3.181 1.525
56 HA ASP 8 HA ASP 8 -2.077 5.080 -0.473
57 HB2 ASP 8 2HB ASP 8 -4.340 4.101 -0.715
58 HB3 ASP 8 1HB ASP 8 -4.794 4.752 0.859
59 H GLN 9 H GLN 9 -3.002 4.824 2.896
60 HA GLN 9 HA GLN 9 -2.897 7.664 3.518
61 HB2 GLN 9 2HB GLN 9 -3.446 5.114 4.778
62 HB3 GLN 9 1HB GLN 9 -2.376 6.071 5.803
63 HG2 GLN 9 2HG GLN 9 -3.922 7.812 6.023
64 HG3 GLN 9 1HG GLN 9 -4.788 7.358 4.555
65 HE21 GLN 9 1HE2 GLN 9 -6.802 6.504 5.065
66 HE22 GLN 9 2HE2 GLN 9 -7.133 5.511 6.401
67 H VAL 10 H VAL 10 -0.664 4.883 3.909
68 HA VAL 10 HA VAL 10 1.518 6.734 4.734
69 HB VAL 10 HB VAL 10 0.889 4.351 5.647
70 HG11 VAL 10 1HG1 VAL 10 1.033 3.471 3.199
71 HG12 VAL 10 2HG1 VAL 10 1.731 2.489 4.487
72 HG13 VAL 10 3HG1 VAL 10 2.776 3.479 3.467
73 HG21 VAL 10 3HG2 VAL 10 3.566 5.552 5.101
74 HG22 VAL 10 1HG2 VAL 10 3.529 3.897 5.709
75 HG23 VAL 10 2HG2 VAL 10 2.788 5.196 6.643
76 H CYS 11 H CYS 11 0.175 6.221 1.899
77 HA CYS 11 HA CYS 11 2.193 5.239 0.130
78 HB2 CYS 11 2HB CYS 11 -0.393 5.826 -0.062
79 HB3 CYS 11 1HB CYS 11 0.231 7.366 -0.651
80 HA PRO 12 HA PRO 12 3.396 9.829 -0.456
81 HB2 PRO 12 2HB PRO 12 2.625 11.623 1.458
82 HB3 PRO 12 1HB PRO 12 1.644 11.247 0.029
83 HG2 PRO 12 2HG PRO 12 1.329 10.338 2.830
84 HG3 PRO 12 1HG PRO 12 0.099 10.683 1.607
85 HD2 PRO 12 2HD PRO 12 0.948 8.160 2.342
86 HD3 PRO 12 1HD PRO 12 0.129 8.553 0.815
87 H ARG 13 H ARG 13 3.831 7.831 2.121
88 HA ARG 13 HA ARG 13 5.755 9.450 3.651
89 HB2 ARG 13 2HB ARG 13 4.726 6.610 3.683
90 HB3 ARG 13 1HB ARG 13 6.057 7.110 4.729
91 HG2 ARG 13 2HG ARG 13 3.374 8.515 4.630
92 HG3 ARG 13 1HG ARG 13 3.791 7.278 5.817
93 HD2 ARG 13 2HD ARG 13 5.887 8.781 6.286
94 HD3 ARG 13 1HD ARG 13 4.922 10.055 5.514
95 HE ARG 13 HE ARG 13 3.117 8.942 7.248
96 HH11 ARG 13 1HH1 ARG 13 5.757 8.154 8.691
97 HH12 ARG 13 2HH1 ARG 13 5.859 9.433 9.854
98 HH21 ARG 13 1HH2 ARG 13 3.500 11.419 8.270
99 HH22 ARG 13 2HH2 ARG 13 4.582 11.281 9.617
100 H ILE 14 H ILE 14 7.969 8.142 4.053
101 HA ILE 14 HA ILE 14 9.549 8.308 1.727
102 HB ILE 14 HB ILE 14 11.171 6.968 3.095
103 HG12 ILE 14 2HG1 ILE 14 8.755 6.709 4.915
104 HG13 ILE 14 1HG1 ILE 14 9.615 5.393 4.115
105 HG21 ILE 14 1HG2 ILE 14 11.589 8.798 4.373
106 HG22 ILE 14 2HG2 ILE 14 9.986 8.768 5.108
107 HG23 ILE 14 3HG2 ILE 14 10.214 9.498 3.520
108 HD11 ILE 14 3HD1 ILE 14 10.800 7.269 6.182
109 HD12 ILE 14 1HD1 ILE 14 11.656 5.950 5.383
110 HD13 ILE 14 2HD1 ILE 14 10.314 5.599 6.473
111 H VAL 15 H VAL 15 10.976 5.972 1.433
112 HA VAL 15 HA VAL 15 9.203 4.388 -0.255
113 HB VAL 15 HB VAL 15 12.121 4.293 0.522
114 HG11 VAL 15 1HG1 VAL 15 10.618 2.512 -1.423
115 HG12 VAL 15 2HG1 VAL 15 11.355 1.993 0.093
116 HG13 VAL 15 3HG1 VAL 15 12.371 2.559 -1.234
117 HG21 VAL 15 3HG2 VAL 15 10.568 5.056 -1.968
118 HG22 VAL 15 1HG2 VAL 15 12.320 4.864 -1.945
119 HG23 VAL 15 2HG2 VAL 15 11.558 6.112 -0.961
120 HA PRO 16 HA PRO 16 10.269 0.983 2.958
121 HB2 PRO 16 2HB PRO 16 11.010 1.818 5.464
122 HB3 PRO 16 1HB PRO 16 12.173 1.448 4.176
123 HG2 PRO 16 2HG PRO 16 11.157 4.085 5.107
124 HG3 PRO 16 1HG PRO 16 12.788 3.617 4.603
125 HD2 PRO 16 2HD PRO 16 11.081 4.991 3.011
126 HD3 PRO 16 1HD PRO 16 12.323 3.893 2.372
127 H GLU 17 H GLU 17 8.559 3.882 3.428
128 HA GLU 17 HA GLU 17 6.782 2.848 5.549
129 HB2 GLU 17 2HB GLU 17 7.575 5.352 4.432
130 HB3 GLU 17 1HB GLU 17 5.832 5.201 4.208
131 HG2 GLU 17 2HG GLU 17 5.695 5.927 6.354
132 HG3 GLU 17 1HG GLU 17 6.143 4.272 6.772
133 H ARG 18 H ARG 18 6.950 3.070 2.072
134 HA ARG 18 HA ARG 18 4.079 2.454 1.700
135 HB2 ARG 18 2HB ARG 18 6.285 3.584 0.216
136 HB3 ARG 18 1HB ARG 18 5.573 2.260 -0.707
137 HG2 ARG 18 2HG ARG 18 3.344 3.566 0.260
138 HG3 ARG 18 1HG ARG 18 4.454 4.899 -0.061
139 HD2 ARG 18 2HD ARG 18 3.873 2.704 -2.078
140 HD3 ARG 18 1HD ARG 18 3.032 4.267 -2.055
141 HE ARG 18 HE ARG 18 6.016 4.094 -2.249
142 HH11 ARG 18 1HH2 ARG 18 4.059 4.173 -4.687
143 HH12 ARG 18 2HH2 ARG 18 4.204 5.842 -5.124
144 HH21 ARG 18 1HH1 ARG 18 5.730 6.764 -2.150
145 HH22 ARG 18 2HH1 ARG 18 5.151 7.309 -3.689
146 H HIS 19 H HIS 19 7.249 0.947 0.960
147 HA HIS 19 HA HIS 19 6.250 -1.537 -0.020
148 HB2 HIS 19 2HB HIS 19 8.746 -0.321 0.898
149 HB3 HIS 19 1HB HIS 19 8.671 -2.041 1.281
150 HD1 HIS 19 1HD HIS 19 7.466 -3.387 -1.004
151 HD2 HIS 19 2HD HIS 19 9.894 -0.048 -1.585
152 HE1 HIS 19 1HE HIS 19 8.269 -3.494 -3.404
153 H GLU 20 H GLU 20 6.306 -0.220 3.169
154 HA GLU 20 HA GLU 20 6.077 -2.882 4.470
155 HB2 GLU 20 2HB GLU 20 7.546 -1.152 5.419
156 HB3 GLU 20 1HB GLU 20 6.181 -0.038 5.525
157 HG2 GLU 20 2HG GLU 20 5.265 -1.113 7.335
158 HG3 GLU 20 1HG GLU 20 5.835 -2.699 6.813
159 H CYS 21 H CYS 21 4.088 -0.271 3.343
160 HA CYS 21 HA CYS 21 1.861 -0.548 5.126
161 HB2 CYS 21 2HB CYS 21 0.810 0.899 3.594
162 HB3 CYS 21 1HB CYS 21 2.517 1.241 3.342
163 H CYS 22 H CYS 22 2.744 -2.207 2.121
164 HA CYS 22 HA CYS 22 0.260 -3.742 1.977
165 HB2 CYS 22 2HB CYS 22 2.805 -3.398 0.507
166 HB3 CYS 22 1HB CYS 22 2.083 -5.002 0.371
167 H ARG 23 H ARG 23 3.671 -4.550 2.752
168 HA ARG 23 HA ARG 23 3.172 -7.278 3.477
169 HB2 ARG 23 2HB ARG 23 5.308 -5.235 3.716
170 HB3 ARG 23 1HB ARG 23 5.397 -6.559 4.878
171 HG2 ARG 23 2HG ARG 23 5.106 -8.144 2.904
172 HG3 ARG 23 1HG ARG 23 5.370 -6.748 1.860
173 HD2 ARG 23 2HD ARG 23 7.561 -6.347 2.990
174 HD3 ARG 23 1HD ARG 23 7.305 -7.822 3.944
175 HE ARG 23 HE ARG 23 7.568 -7.764 0.965
176 HH11 ARG 23 1HH1 ARG 23 9.422 -8.945 3.245
177 HH12 ARG 23 2HH1 ARG 23 9.165 -10.633 2.957
178 HH21 ARG 23 1HH2 ARG 23 6.411 -10.133 0.910
179 HH22 ARG 23 2HH2 ARG 23 7.460 -11.306 1.634
180 H ALA 24 H ALA 24 2.589 -4.293 5.151
181 HA ALA 24 HA ALA 24 2.671 -5.347 7.857
182 HB1 ALA 24 3HB ALA 24 1.465 -3.172 8.299
183 HB2 ALA 24 1HB ALA 24 1.401 -2.919 6.555
184 HB3 ALA 24 2HB ALA 24 2.958 -2.983 7.379
185 H HIS 25 H HIS 25 0.324 -5.351 5.280
186 HA HIS 25 HA HIS 25 -1.785 -6.324 7.176
187 HB2 HIS 25 2HB HIS 25 -1.700 -4.658 4.719
188 HB3 HIS 25 1HB HIS 25 -3.069 -5.763 4.846
189 HD1 HIS 25 1HD HIS 25 -1.361 -2.998 6.819
190 HD2 HIS 25 2HD HIS 25 -5.045 -4.938 6.628
191 HE1 HIS 25 1HE HIS 25 -2.911 -1.745 8.380
192 H GLY 26 H GLY 26 0.479 -7.886 5.881
193 HA2 GLY 26 2HA GLY 26 0.752 -9.982 4.866
194 HA3 GLY 26 1HA GLY 26 -0.942 -10.267 5.264
195 H ARG 27 H ARG 27 1.049 -8.462 2.898
196 HA ARG 27 HA ARG 27 -0.988 -9.200 0.821
197 HB2 ARG 27 2HB ARG 27 -0.383 -6.675 1.872
198 HB3 ARG 27 1HB ARG 27 0.464 -6.720 0.324
199 HG2 ARG 27 2HG ARG 27 -1.898 -5.877 0.151
200 HG3 ARG 27 1HG ARG 27 -1.582 -7.300 -0.844
201 HD2 ARG 27 2HD ARG 27 -2.371 -8.268 1.708
202 HD3 ARG 27 1HD ARG 27 -3.528 -7.001 1.256
203 HE ARG 27 HE ARG 27 -3.007 -8.591 -1.049
204 HH11 ARG 27 1HH2 ARG 27 -5.140 -8.100 1.516
205 HH12 ARG 27 2HH2 ARG 27 -6.007 -9.584 1.301
206 HH21 ARG 27 1HH1 ARG 27 -3.837 -10.812 -1.108
207 HH22 ARG 27 2HH1 ARG 27 -5.270 -11.118 -0.184
208 H SER 28 H SER 28 0.626 -7.846 -1.233
209 HA SER 28 HA SER 28 2.847 -9.849 -1.441
210 HB2 SER 28 2HB SER 28 0.954 -8.514 -3.356
211 HB3 SER 28 1HB SER 28 2.497 -9.119 -3.953
212 HG SER 28 HG SER 28 1.795 -11.104 -2.683
213 H GLY 29 H GLY 29 2.478 -7.013 -3.477
214 HA2 GLY 29 2HA GLY 29 4.698 -5.626 -2.074
215 HA3 GLY 29 1HA GLY 29 4.945 -6.068 -3.766
216 H TYR 30 H TYR 30 4.546 -3.392 -2.278
217 HA TYR 30 HA TYR 30 2.154 -2.104 -2.856
218 HB2 TYR 30 2HB TYR 30 3.438 -0.125 -2.696
219 HB3 TYR 30 1HB TYR 30 4.410 -1.308 -1.827
220 HD1 TYR 30 1HD TYR 30 6.026 -2.743 -3.469
221 HD2 TYR 30 2HD TYR 30 4.554 1.220 -4.230
222 HE1 TYR 30 1HE TYR 30 7.906 -2.344 -5.036
223 HE2 TYR 30 2HE TYR 30 6.434 1.618 -5.797
224 HH TYR 30 HH TYR 30 8.391 0.828 -6.554
225 H ALA 31 H ALA 31 1.017 -1.826 -4.738
226 HA ALA 31 HA ALA 31 2.392 -2.324 -7.333
227 HB1 ALA 31 3HB ALA 31 0.318 -3.023 -8.039
228 HB2 ALA 31 1HB ALA 31 -0.518 -1.745 -7.159
229 HB3 ALA 31 2HB ALA 31 0.030 -3.187 -6.307
230 H TYR 32 H TYR 32 -0.089 -0.050 -6.133
231 HA TYR 32 HA TYR 32 1.297 2.332 -6.982
232 HB2 TYR 32 2HB TYR 32 -0.366 2.639 -8.977
233 HB3 TYR 32 1HB TYR 32 1.018 1.568 -9.203
234 HD1 TYR 32 2HD TYR 32 -2.615 1.667 -8.441
235 HD2 TYR 32 1HD TYR 32 0.735 -0.809 -9.494
236 HE1 TYR 32 2HE TYR 32 -4.156 -0.218 -8.899
237 HE2 TYR 32 1HE TYR 32 -0.808 -2.694 -9.949
238 HH TYR 32 HH TYR 32 -4.289 -2.264 -9.961
239 H CYS 33 H CYS 33 0.153 4.146 -6.224
240 HA CYS 33 HA CYS 33 -2.277 3.610 -4.645
241 HB2 CYS 33 2HB CYS 33 -0.142 5.609 -4.873
242 HB3 CYS 33 1HB CYS 33 -1.724 6.331 -4.589
243 H SER 34 H SER 34 -4.184 3.566 -5.782
244 HA SER 34 HA SER 34 -4.604 5.666 -7.886
245 HB2 SER 34 2HB SER 34 -4.677 3.793 -9.193
246 HB3 SER 34 1HB SER 34 -4.935 2.728 -7.814
247 HG SER 34 HG SER 34 -6.963 2.744 -8.325
248 H GLY 35 H GLY 35 -6.872 6.365 -8.099
249 HA2 GLY 35 2HA GLY 35 -8.761 7.308 -7.043
250 HA3 GLY 35 1HA GLY 35 -9.084 5.628 -6.617
251 H GLY 36 H GLY 36 -9.945 6.216 -4.557
252 HA2 GLY 36 2HA GLY 36 -8.146 7.620 -2.671
253 HA3 GLY 36 1HA GLY 36 -9.826 7.178 -2.360
254 H GLY 37 H GLY 37 -7.168 5.114 -3.528
255 HA2 GLY 37 2HA GLY 37 -6.739 3.818 -0.985
256 HA3 GLY 37 1HA GLY 37 -7.821 2.859 -1.999
257 H MET 38 H MET 38 -4.956 2.400 -1.122
258 HA MET 38 HA MET 38 -3.438 2.550 -3.647
259 HB2 MET 38 2HB MET 38 -2.374 2.983 -1.477
260 HB3 MET 38 1HB MET 38 -2.850 1.383 -0.907
261 HG2 MET 38 2HG MET 38 -1.242 0.311 -2.142
262 HG3 MET 38 1HG MET 38 -1.328 1.479 -3.460
263 HE1 MET 38 3HE MET 38 0.949 0.272 -2.891
264 HE2 MET 38 1HE MET 38 1.647 0.393 -1.270
265 HE3 MET 38 2HE MET 38 2.254 1.413 -2.571
266 H TYR 39 H TYR 39 -2.521 0.568 -4.615
267 HA TYR 39 HA TYR 39 -4.215 -1.856 -4.110
268 HB2 TYR 39 2HB TYR 39 -3.232 -0.576 -6.675
269 HB3 TYR 39 1HB TYR 39 -3.937 -2.193 -6.618
270 HD1 TYR 39 1HD TYR 39 -4.588 1.409 -6.055
271 HD2 TYR 39 2HD TYR 39 -6.297 -2.527 -6.258
272 HE1 TYR 39 1HE TYR 39 -6.862 2.396 -6.065
273 HE2 TYR 39 2HE TYR 39 -8.571 -1.540 -6.271
274 HH TYR 39 HH TYR 39 -9.211 1.592 -6.960
275 H CYS 40 H CYS 40 -3.108 -3.827 -4.091
276 HA CYS 40 HA CYS 40 -0.127 -3.672 -4.437
277 HB2 CYS 40 2HB CYS 40 -1.564 -4.087 -2.135
278 HB3 CYS 40 1HB CYS 40 -1.266 -5.742 -2.665
279 H ASN 41 H ASN 41 0.586 -4.973 -6.070
280 HA ASN 41 HA ASN 41 -0.951 -6.629 -7.711
281 HB2 ASN 41 2HB ASN 41 1.534 -5.780 -7.769
282 HB3 ASN 41 1HB ASN 41 1.887 -7.323 -6.990
283 HD21 ASN 41 1HD2 ASN 41 2.427 -6.307 -9.848
284 HD22 ASN 41 2HD2 ASN 41 1.779 -7.520 -10.844
Start of MODEL 10
1 H1 ALA 1 1HT ALA 1 -2.710 -7.838 -8.388
2 H2 ALA 1 2HT ALA 1 -3.933 -8.479 -7.399
3 H3 ALA 1 3HT ALA 1 -2.527 -7.829 -6.702
4 HA ALA 1 HA ALA 1 -3.118 -5.621 -7.326
5 HB1 ALA 1 3HB ALA 1 -4.647 -5.213 -9.025
6 HB2 ALA 1 1HB ALA 1 -5.608 -6.640 -8.640
7 HB3 ALA 1 2HB ALA 1 -4.084 -6.812 -9.511
8 H VAL 2 H VAL 2 -3.480 -5.542 -5.044
9 HA VAL 2 HA VAL 2 -6.298 -6.129 -4.198
10 HB VAL 2 HB VAL 2 -5.102 -6.459 -1.913
11 HG11 VAL 2 1HG1 VAL 2 -6.001 -8.396 -2.874
12 HG12 VAL 2 2HG1 VAL 2 -4.288 -8.799 -2.757
13 HG13 VAL 2 3HG1 VAL 2 -4.969 -8.285 -4.301
14 HG21 VAL 2 3HG2 VAL 2 -2.818 -6.581 -1.844
15 HG22 VAL 2 1HG2 VAL 2 -2.930 -5.525 -3.253
16 HG23 VAL 2 2HG2 VAL 2 -2.705 -7.262 -3.467
17 H ARG 3 H ARG 3 -6.149 -4.915 -1.684
18 HA ARG 3 HA ARG 3 -5.288 -2.105 -2.146
19 HB2 ARG 3 2HB ARG 3 -7.454 -1.964 -2.975
20 HB3 ARG 3 1HB ARG 3 -8.048 -3.252 -1.939
21 HG2 ARG 3 2HG ARG 3 -8.889 -0.958 -1.311
22 HG3 ARG 3 1HG ARG 3 -8.054 -1.803 -0.010
23 HD2 ARG 3 2HD ARG 3 -5.932 -0.554 -0.776
24 HD3 ARG 3 1HD ARG 3 -7.030 0.481 -1.710
25 HE ARG 3 HE ARG 3 -7.156 0.141 1.265
26 HH11 ARG 3 1HH2 ARG 3 -9.302 1.081 -1.013
27 HH12 ARG 3 2HH2 ARG 3 -9.420 2.741 -0.532
28 HH21 ARG 3 1HH1 ARG 3 -6.700 2.590 1.611
29 HH22 ARG 3 2HH1 ARG 3 -7.947 3.595 0.953
30 H ILE 4 H ILE 4 -4.222 -1.528 -0.304
31 HA ILE 4 HA ILE 4 -4.879 -2.893 2.262
32 HB ILE 4 HB ILE 4 -2.549 -1.418 1.069
33 HG12 ILE 4 2HG1 ILE 4 -2.793 -3.883 0.830
34 HG13 ILE 4 1HG1 ILE 4 -1.357 -3.443 1.757
35 HG21 ILE 4 1HG2 ILE 4 -1.589 -1.882 3.523
36 HG22 ILE 4 2HG2 ILE 4 -3.277 -1.625 3.958
37 HG23 ILE 4 3HG2 ILE 4 -2.382 -0.360 3.119
38 HD11 ILE 4 3HD1 ILE 4 -2.770 -3.732 3.854
39 HD12 ILE 4 1HD1 ILE 4 -2.420 -5.216 2.969
40 HD13 ILE 4 2HD1 ILE 4 -4.004 -4.453 2.821
41 H GLY 5 H GLY 5 -5.519 -1.681 4.076
42 HA2 GLY 5 2HA GLY 5 -7.055 0.654 3.679
43 HA3 GLY 5 1HA GLY 5 -6.481 0.101 5.245
44 HA PRO 6 HA PRO 6 -3.713 3.460 5.402
45 HB2 PRO 6 2HB PRO 6 -1.471 2.417 6.554
46 HB3 PRO 6 1HB PRO 6 -2.981 2.715 7.429
47 HG2 PRO 6 2HG PRO 6 -1.841 0.173 6.433
48 HG3 PRO 6 1HG PRO 6 -2.849 0.476 7.854
49 HD2 PRO 6 2HD PRO 6 -3.733 -0.606 5.452
50 HD3 PRO 6 1HD PRO 6 -4.769 0.119 6.698
51 H CYS 7 H CYS 7 -3.425 1.690 2.873
52 HA CYS 7 HA CYS 7 -0.555 2.156 2.270
53 HB2 CYS 7 2HB CYS 7 -2.689 0.376 1.453
54 HB3 CYS 7 1HB CYS 7 -1.937 1.118 0.048
55 H ASP 8 H ASP 8 -3.720 3.454 1.776
56 HA ASP 8 HA ASP 8 -2.906 5.209 -0.463
57 HB2 ASP 8 2HB ASP 8 -5.227 5.800 -0.476
58 HB3 ASP 8 1HB ASP 8 -5.209 4.087 -0.063
59 H GLN 9 H GLN 9 -3.187 5.145 2.993
60 HA GLN 9 HA GLN 9 -2.960 8.071 3.323
61 HB2 GLN 9 2HB GLN 9 -3.313 5.626 5.031
62 HB3 GLN 9 1HB GLN 9 -2.721 7.105 5.791
63 HG2 GLN 9 2HG GLN 9 -4.867 7.882 4.119
64 HG3 GLN 9 1HG GLN 9 -5.411 6.445 4.985
65 HE21 GLN 9 1HE2 GLN 9 -6.323 9.230 5.463
66 HE22 GLN 9 2HE2 GLN 9 -5.919 9.590 7.072
67 H VAL 10 H VAL 10 -0.999 5.115 3.855
68 HA VAL 10 HA VAL 10 1.365 6.782 4.543
69 HB VAL 10 HB VAL 10 0.528 4.495 5.556
70 HG11 VAL 10 1HG1 VAL 10 0.600 3.513 3.141
71 HG12 VAL 10 2HG1 VAL 10 1.218 2.527 4.467
72 HG13 VAL 10 3HG1 VAL 10 2.339 3.392 3.414
73 HG21 VAL 10 3HG2 VAL 10 3.342 5.332 4.896
74 HG22 VAL 10 1HG2 VAL 10 3.054 3.830 5.774
75 HG23 VAL 10 2HG2 VAL 10 2.511 5.366 6.450
76 H CYS 11 H CYS 11 -0.085 6.256 1.749
77 HA CYS 11 HA CYS 11 1.829 5.037 0.006
78 HB2 CYS 11 2HB CYS 11 -0.722 5.928 -0.152
79 HB3 CYS 11 1HB CYS 11 0.104 7.258 -0.963
80 HA PRO 12 HA PRO 12 3.381 9.486 -0.783
81 HB2 PRO 12 2HB PRO 12 2.661 11.446 0.979
82 HB3 PRO 12 1HB PRO 12 1.702 11.033 -0.456
83 HG2 PRO 12 2HG PRO 12 1.239 10.353 2.388
84 HG3 PRO 12 1HG PRO 12 0.074 10.660 1.093
85 HD2 PRO 12 2HD PRO 12 0.783 8.161 2.059
86 HD3 PRO 12 1HD PRO 12 -0.001 8.474 0.496
87 H ARG 13 H ARG 13 3.667 7.602 1.871
88 HA ARG 13 HA ARG 13 5.551 9.218 3.444
89 HB2 ARG 13 2HB ARG 13 4.469 6.403 3.471
90 HB3 ARG 13 1HB ARG 13 5.813 6.852 4.522
91 HG2 ARG 13 2HG ARG 13 3.211 8.396 4.420
92 HG3 ARG 13 1HG ARG 13 3.512 7.091 5.568
93 HD2 ARG 13 2HD ARG 13 5.140 8.307 6.728
94 HD3 ARG 13 1HD ARG 13 5.505 9.339 5.331
95 HE ARG 13 HE ARG 13 2.799 9.797 5.932
96 HH11 ARG 13 1HH1 ARG 13 5.941 10.737 6.794
97 HH12 ARG 13 2HH1 ARG 13 5.447 11.778 8.088
98 HH21 ARG 13 1HH2 ARG 13 2.108 10.863 7.902
99 HH22 ARG 13 2HH2 ARG 13 3.277 11.849 8.714
100 H ILE 14 H ILE 14 7.722 7.860 3.960
101 HA ILE 14 HA ILE 14 9.426 8.017 1.727
102 HB ILE 14 HB ILE 14 10.934 6.601 3.158
103 HG12 ILE 14 2HG1 ILE 14 8.431 6.425 4.868
104 HG13 ILE 14 1HG1 ILE 14 9.256 5.079 4.080
105 HG21 ILE 14 1HG2 ILE 14 10.819 9.002 3.536
106 HG22 ILE 14 2HG2 ILE 14 10.918 8.178 5.093
107 HG23 ILE 14 3HG2 ILE 14 9.371 8.808 4.524
108 HD11 ILE 14 3HD1 ILE 14 10.095 4.979 6.267
109 HD12 ILE 14 1HD1 ILE 14 10.159 6.734 6.426
110 HD13 ILE 14 2HD1 ILE 14 11.342 5.895 5.420
111 H VAL 15 H VAL 15 10.805 5.673 1.425
112 HA VAL 15 HA VAL 15 9.038 4.133 -0.319
113 HB VAL 15 HB VAL 15 11.950 4.013 0.481
114 HG11 VAL 15 1HG1 VAL 15 11.815 2.439 -1.719
115 HG12 VAL 15 2HG1 VAL 15 10.263 2.048 -0.976
116 HG13 VAL 15 3HG1 VAL 15 11.758 1.798 -0.076
117 HG21 VAL 15 3HG2 VAL 15 11.597 5.816 -0.994
118 HG22 VAL 15 1HG2 VAL 15 10.362 4.949 -1.905
119 HG23 VAL 15 2HG2 VAL 15 12.060 4.507 -2.080
120 HA PRO 16 HA PRO 16 10.001 0.723 2.900
121 HB2 PRO 16 2HB PRO 16 10.810 1.517 5.391
122 HB3 PRO 16 1HB PRO 16 11.942 1.132 4.079
123 HG2 PRO 16 2HG PRO 16 11.044 3.776 5.087
124 HG3 PRO 16 1HG PRO 16 12.630 3.274 4.484
125 HD2 PRO 16 2HD PRO 16 10.819 4.723 3.034
126 HD3 PRO 16 1HD PRO 16 12.077 3.698 2.311
127 H GLU 17 H GLU 17 8.305 3.598 3.273
128 HA GLU 17 HA GLU 17 6.563 2.599 5.466
129 HB2 GLU 17 2HB GLU 17 7.254 5.159 4.155
130 HB3 GLU 17 1HB GLU 17 5.557 5.002 4.610
131 HG2 GLU 17 2HG GLU 17 7.612 4.172 6.613
132 HG3 GLU 17 1HG GLU 17 7.379 5.900 6.342
133 H ARG 18 H ARG 18 6.760 2.716 2.036
134 HA ARG 18 HA ARG 18 3.818 2.321 1.712
135 HB2 ARG 18 2HB ARG 18 5.945 3.608 0.266
136 HB3 ARG 18 1HB ARG 18 5.241 2.354 -0.757
137 HG2 ARG 18 2HG ARG 18 2.980 3.437 0.268
138 HG3 ARG 18 1HG ARG 18 4.025 4.858 0.270
139 HD2 ARG 18 2HD ARG 18 3.465 3.076 -2.130
140 HD3 ARG 18 1HD ARG 18 2.853 4.724 -1.885
141 HE ARG 18 HE ARG 18 5.785 4.389 -1.720
142 HH11 ARG 18 1HH2 ARG 18 3.126 4.823 -3.839
143 HH12 ARG 18 2HH2 ARG 18 3.929 5.988 -4.838
144 HH21 ARG 18 1HH1 ARG 18 6.783 6.100 -2.871
145 HH22 ARG 18 2HH1 ARG 18 6.000 6.712 -4.289
146 H HIS 19 H HIS 19 6.927 0.877 0.624
147 HA HIS 19 HA HIS 19 5.810 -1.494 -0.506
148 HB2 HIS 19 2HB HIS 19 8.462 -0.651 0.656
149 HB3 HIS 19 1HB HIS 19 8.228 -2.299 0.077
150 HD1 HIS 19 1HD HIS 19 8.067 -2.667 -2.454
151 HD2 HIS 19 2HD HIS 19 8.284 1.361 -1.405
152 HE1 HIS 19 1HE HIS 19 8.428 -1.385 -4.607
153 H GLU 20 H GLU 20 6.782 -0.676 2.807
154 HA GLU 20 HA GLU 20 6.454 -3.375 3.849
155 HB2 GLU 20 2HB GLU 20 7.881 -1.434 4.727
156 HB3 GLU 20 1HB GLU 20 6.380 -0.745 5.348
157 HG2 GLU 20 2HG GLU 20 6.074 -3.185 6.352
158 HG3 GLU 20 1HG GLU 20 7.832 -3.214 6.214
159 H CYS 21 H CYS 21 4.312 -0.736 3.143
160 HA CYS 21 HA CYS 21 2.228 -1.220 5.039
161 HB2 CYS 21 2HB CYS 21 2.311 0.793 3.713
162 HB3 CYS 21 1HB CYS 21 2.299 -0.131 2.212
163 H CYS 22 H CYS 22 2.836 -2.570 1.796
164 HA CYS 22 HA CYS 22 0.428 -4.222 1.827
165 HB2 CYS 22 2HB CYS 22 2.931 -4.219 0.106
166 HB3 CYS 22 1HB CYS 22 1.435 -5.073 -0.280
167 H ARG 23 H ARG 23 3.763 -4.584 2.844
168 HA ARG 23 HA ARG 23 3.609 -7.523 3.007
169 HB2 ARG 23 2HB ARG 23 5.589 -5.337 3.356
170 HB3 ARG 23 1HB ARG 23 5.871 -6.789 4.318
171 HG2 ARG 23 2HG ARG 23 5.403 -8.043 2.059
172 HG3 ARG 23 1HG ARG 23 5.798 -6.486 1.330
173 HD2 ARG 23 2HD ARG 23 7.719 -7.185 3.409
174 HD3 ARG 23 1HD ARG 23 7.648 -8.423 2.139
175 HE ARG 23 HE ARG 23 8.371 -5.578 1.735
176 HH11 ARG 23 1HH2 ARG 23 7.176 -8.468 0.318
177 HH12 ARG 23 2HH2 ARG 23 8.018 -8.248 -1.180
178 HH21 ARG 23 1HH1 ARG 23 9.647 -5.367 -0.145
179 HH22 ARG 23 2HH1 ARG 23 9.416 -6.490 -1.442
180 H ALA 24 H ALA 24 2.802 -4.834 5.007
181 HA ALA 24 HA ALA 24 3.147 -6.286 7.553
182 HB1 ALA 24 3HB ALA 24 1.674 -3.974 7.995
183 HB2 ALA 24 1HB ALA 24 2.633 -3.572 6.571
184 HB3 ALA 24 2HB ALA 24 3.432 -4.090 8.056
185 H HIS 25 H HIS 25 0.575 -5.503 5.275
186 HA HIS 25 HA HIS 25 -1.489 -6.570 7.136
187 HB2 HIS 25 2HB HIS 25 -1.431 -5.002 4.564
188 HB3 HIS 25 1HB HIS 25 -2.926 -5.769 5.104
189 HD1 HIS 25 1HD HIS 25 -0.235 -3.501 6.595
190 HD2 HIS 25 2HD HIS 25 -4.342 -4.173 6.851
191 HE1 HIS 25 1HE HIS 25 -1.150 -1.754 8.185
192 H GLY 26 H GLY 26 0.370 -8.503 6.164
193 HA2 GLY 26 2HA GLY 26 0.442 -10.569 5.051
194 HA3 GLY 26 1HA GLY 26 -1.315 -10.550 5.215
195 H ARG 27 H ARG 27 0.097 -7.918 3.487
196 HA ARG 27 HA ARG 27 -1.071 -8.995 0.962
197 HB2 ARG 27 2HB ARG 27 -1.033 -6.502 2.332
198 HB3 ARG 27 1HB ARG 27 -0.141 -6.275 0.828
199 HG2 ARG 27 2HG ARG 27 -2.441 -5.834 0.317
200 HG3 ARG 27 1HG ARG 27 -2.076 -7.423 -0.356
201 HD2 ARG 27 2HD ARG 27 -2.929 -8.339 1.938
202 HD3 ARG 27 1HD ARG 27 -3.697 -6.746 2.094
203 HE ARG 27 HE ARG 27 -4.199 -7.748 -0.533
204 HH11 ARG 27 1HH1 ARG 27 -5.210 -7.813 2.744
205 HH12 ARG 27 2HH1 ARG 27 -6.667 -8.694 2.424
206 HH21 ARG 27 1HH2 ARG 27 -5.993 -9.104 -0.953
207 HH22 ARG 27 2HH2 ARG 27 -7.110 -9.425 0.332
208 H SER 28 H SER 28 0.233 -8.207 -1.063
209 HA SER 28 HA SER 28 2.962 -9.256 -0.817
210 HB2 SER 28 2HB SER 28 1.153 -9.523 -2.693
211 HB3 SER 28 1HB SER 28 1.745 -7.959 -3.249
212 HG SER 28 HG SER 28 3.309 -9.044 -4.122
213 H GLY 29 H GLY 29 3.783 -7.391 -3.082
214 HA2 GLY 29 2HA GLY 29 4.946 -5.316 -1.357
215 HA3 GLY 29 1HA GLY 29 5.319 -5.576 -3.062
216 H TYR 30 H TYR 30 5.079 -3.225 -3.316
217 HA TYR 30 HA TYR 30 2.314 -2.176 -3.045
218 HB2 TYR 30 2HB TYR 30 3.346 -0.106 -2.920
219 HB3 TYR 30 1HB TYR 30 4.680 -1.120 -2.379
220 HD1 TYR 30 1HD TYR 30 6.041 -2.205 -4.514
221 HD2 TYR 30 2HD TYR 30 3.891 1.514 -4.485
222 HE1 TYR 30 1HE TYR 30 7.411 -1.398 -6.414
223 HE2 TYR 30 2HE TYR 30 5.263 2.321 -6.387
224 HH TYR 30 HH TYR 30 7.297 1.911 -7.488
225 H ALA 31 H ALA 31 1.075 -1.588 -4.839
226 HA ALA 31 HA ALA 31 2.125 -2.445 -7.508
227 HB1 ALA 31 3HB ALA 31 -0.718 -1.843 -6.644
228 HB2 ALA 31 1HB ALA 31 0.018 -3.437 -6.477
229 HB3 ALA 31 2HB ALA 31 -0.202 -2.731 -8.078
230 H TYR 32 H TYR 32 -0.157 -0.014 -6.230
231 HA TYR 32 HA TYR 32 1.182 2.252 -7.418
232 HB2 TYR 32 2HB TYR 32 -0.592 2.459 -9.274
233 HB3 TYR 32 1HB TYR 32 0.623 1.198 -9.495
234 HD1 TYR 32 1HD TYR 32 -2.860 1.859 -8.410
235 HD2 TYR 32 2HD TYR 32 0.031 -1.147 -9.440
236 HE1 TYR 32 1HE TYR 32 -4.659 0.159 -8.467
237 HE2 TYR 32 2HE TYR 32 -1.772 -2.848 -9.498
238 HH TYR 32 HH TYR 32 -4.059 -3.141 -8.465
239 H CYS 33 H CYS 33 0.101 4.185 -6.807
240 HA CYS 33 HA CYS 33 -2.222 3.822 -4.984
241 HB2 CYS 33 2HB CYS 33 0.117 5.362 -5.006
242 HB3 CYS 33 1HB CYS 33 -1.170 6.521 -5.334
243 H SER 34 H SER 34 -4.140 3.853 -6.086
244 HA SER 34 HA SER 34 -4.491 5.353 -8.573
245 HB2 SER 34 2HB SER 34 -6.549 4.197 -8.642
246 HB3 SER 34 1HB SER 34 -5.495 3.089 -7.765
247 HG SER 34 HG SER 34 -7.750 4.303 -6.953
248 H GLY 35 H GLY 35 -7.338 5.995 -7.769
249 HA2 GLY 35 2HA GLY 35 -7.035 8.743 -7.186
250 HA3 GLY 35 1HA GLY 35 -8.529 7.841 -6.941
251 H GLY 36 H GLY 36 -9.204 7.611 -4.862
252 HA2 GLY 36 2HA GLY 36 -7.342 8.453 -2.709
253 HA3 GLY 36 1HA GLY 36 -9.094 8.303 -2.553
254 H GLY 37 H GLY 37 -6.789 5.924 -3.853
255 HA2 GLY 37 2HA GLY 37 -6.967 4.257 -1.456
256 HA3 GLY 37 1HA GLY 37 -7.885 3.624 -2.823
257 H MET 38 H MET 38 -5.251 2.817 -1.410
258 HA MET 38 HA MET 38 -3.454 2.835 -3.798
259 HB2 MET 38 2HB MET 38 -2.449 3.690 -1.787
260 HB3 MET 38 1HB MET 38 -3.069 2.342 -0.833
261 HG2 MET 38 2HG MET 38 -0.737 1.904 -1.271
262 HG3 MET 38 1HG MET 38 -1.680 0.798 -2.269
263 HE1 MET 38 3HE MET 38 1.259 2.843 -2.148
264 HE2 MET 38 1HE MET 38 1.757 2.612 -3.829
265 HE3 MET 38 2HE MET 38 1.273 1.228 -2.853
266 H TYR 39 H TYR 39 -2.541 0.802 -4.496
267 HA TYR 39 HA TYR 39 -4.004 -1.625 -3.509
268 HB2 TYR 39 2HB TYR 39 -3.237 -0.791 -6.325
269 HB3 TYR 39 1HB TYR 39 -3.984 -2.334 -5.906
270 HD1 TYR 39 2HD TYR 39 -4.492 1.350 -5.375
271 HD2 TYR 39 1HD TYR 39 -6.306 -2.500 -5.954
272 HE1 TYR 39 2HE TYR 39 -6.732 2.410 -5.413
273 HE2 TYR 39 1HE TYR 39 -8.546 -1.440 -5.992
274 HH TYR 39 HH TYR 39 -9.089 1.689 -6.517
275 H CYS 40 H CYS 40 -2.745 -3.557 -3.468
276 HA CYS 40 HA CYS 40 0.210 -3.094 -3.677
277 HB2 CYS 40 2HB CYS 40 -1.449 -5.118 -2.139
278 HB3 CYS 40 1HB CYS 40 0.309 -5.003 -2.080
279 H ASN 41 H ASN 41 1.466 -5.093 -4.357
280 HA ASN 41 HA ASN 41 0.347 -6.168 -6.840
281 HB2 ASN 41 2HB ASN 41 2.862 -5.610 -5.708
282 HB3 ASN 41 1HB ASN 41 2.823 -7.365 -5.896
283 HD21 ASN 41 1HD2 ASN 41 4.589 -6.571 -7.605
284 HD22 ASN 41 2HD2 ASN 41 3.998 -6.295 -9.173
Start of MODEL 11
1 H1 ALA 1 1HT ALA 1 -5.751 -8.765 -7.604
2 H2 ALA 1 2HT ALA 1 -4.381 -8.721 -8.608
3 H3 ALA 1 3HT ALA 1 -5.579 -7.524 -8.747
4 HA ALA 1 HA ALA 1 -3.400 -7.750 -6.835
5 HB1 ALA 1 3HB ALA 1 -3.185 -5.560 -7.482
6 HB2 ALA 1 1HB ALA 1 -4.924 -5.271 -7.418
7 HB3 ALA 1 2HB ALA 1 -4.214 -6.072 -8.820
8 H VAL 2 H VAL 2 -4.082 -5.684 -5.126
9 HA VAL 2 HA VAL 2 -6.654 -6.439 -3.832
10 HB VAL 2 HB VAL 2 -5.375 -6.690 -1.671
11 HG11 VAL 2 1HG1 VAL 2 -4.535 -8.554 -3.913
12 HG12 VAL 2 2HG1 VAL 2 -6.060 -8.648 -3.034
13 HG13 VAL 2 3HG1 VAL 2 -4.538 -8.939 -2.192
14 HG21 VAL 2 3HG2 VAL 2 -3.195 -5.937 -3.504
15 HG22 VAL 2 1HG2 VAL 2 -2.829 -7.338 -2.498
16 HG23 VAL 2 2HG2 VAL 2 -3.281 -5.808 -1.748
17 H ARG 3 H ARG 3 -6.376 -4.987 -1.509
18 HA ARG 3 HA ARG 3 -5.486 -2.251 -2.244
19 HB2 ARG 3 2HB ARG 3 -7.659 -2.087 -3.015
20 HB3 ARG 3 1HB ARG 3 -8.258 -3.318 -1.918
21 HG2 ARG 3 2HG ARG 3 -9.071 -1.000 -1.375
22 HG3 ARG 3 1HG ARG 3 -8.208 -1.780 -0.051
23 HD2 ARG 3 2HD ARG 3 -6.098 -0.578 -0.982
24 HD3 ARG 3 1HD ARG 3 -7.256 0.444 -1.857
25 HE ARG 3 HE ARG 3 -7.342 0.080 1.121
26 HH11 ARG 3 1HH2 ARG 3 -9.122 1.458 -1.294
27 HH12 ARG 3 2HH2 ARG 3 -9.036 3.085 -0.707
28 HH21 ARG 3 1HH1 ARG 3 -6.629 2.378 1.685
29 HH22 ARG 3 2HH1 ARG 3 -7.626 3.605 0.979
30 H ILE 4 H ILE 4 -4.360 -1.535 -0.490
31 HA ILE 4 HA ILE 4 -4.945 -2.686 2.196
32 HB ILE 4 HB ILE 4 -2.642 -1.241 0.884
33 HG12 ILE 4 2HG1 ILE 4 -2.904 -3.705 0.597
34 HG13 ILE 4 1HG1 ILE 4 -1.439 -3.284 1.488
35 HG21 ILE 4 1HG2 ILE 4 -3.344 -1.441 3.763
36 HG22 ILE 4 2HG2 ILE 4 -2.347 -0.248 2.930
37 HG23 ILE 4 3HG2 ILE 4 -1.675 -1.825 3.346
38 HD11 ILE 4 3HD1 ILE 4 -2.768 -3.620 3.624
39 HD12 ILE 4 1HD1 ILE 4 -2.480 -5.087 2.688
40 HD13 ILE 4 2HD1 ILE 4 -4.055 -4.295 2.626
41 H GLY 5 H GLY 5 -5.271 -1.256 4.007
42 HA2 GLY 5 2HA GLY 5 -6.791 1.123 3.378
43 HA3 GLY 5 1HA GLY 5 -6.376 0.567 4.995
44 HA PRO 6 HA PRO 6 -3.297 3.639 5.290
45 HB2 PRO 6 2HB PRO 6 -1.173 2.386 6.456
46 HB3 PRO 6 1HB PRO 6 -2.669 2.789 7.312
47 HG2 PRO 6 2HG PRO 6 -1.735 0.183 6.254
48 HG3 PRO 6 1HG PRO 6 -2.714 0.532 7.685
49 HD2 PRO 6 2HD PRO 6 -3.697 -0.414 5.276
50 HD3 PRO 6 1HD PRO 6 -4.660 0.406 6.521
51 H CYS 7 H CYS 7 -3.094 1.822 2.750
52 HA CYS 7 HA CYS 7 -0.193 2.120 2.177
53 HB2 CYS 7 2HB CYS 7 -2.492 0.553 1.243
54 HB3 CYS 7 1HB CYS 7 -1.471 1.134 -0.069
55 H ASP 8 H ASP 8 -3.350 3.437 1.426
56 HA ASP 8 HA ASP 8 -2.309 5.240 -0.674
57 HB2 ASP 8 2HB ASP 8 -4.633 5.857 -0.888
58 HB3 ASP 8 1HB ASP 8 -4.614 4.114 -0.616
59 H GLN 9 H GLN 9 -2.992 5.129 2.732
60 HA GLN 9 HA GLN 9 -2.929 8.032 3.159
61 HB2 GLN 9 2HB GLN 9 -3.555 5.587 4.583
62 HB3 GLN 9 1HB GLN 9 -2.470 6.585 5.552
63 HG2 GLN 9 2HG GLN 9 -4.550 8.174 4.262
64 HG3 GLN 9 1HG GLN 9 -5.226 6.927 5.310
65 HE21 GLN 9 1HE2 GLN 9 -4.518 6.936 7.615
66 HE22 GLN 9 2HE2 GLN 9 -3.924 8.366 8.310
67 H VAL 10 H VAL 10 -0.761 5.232 3.750
68 HA VAL 10 HA VAL 10 1.446 7.081 4.496
69 HB VAL 10 HB VAL 10 0.752 4.758 5.524
70 HG11 VAL 10 1HG1 VAL 10 1.573 2.826 4.481
71 HG12 VAL 10 2HG1 VAL 10 2.700 3.732 3.471
72 HG13 VAL 10 3HG1 VAL 10 0.974 3.760 3.111
73 HG21 VAL 10 3HG2 VAL 10 2.655 5.818 6.425
74 HG22 VAL 10 1HG2 VAL 10 3.535 5.734 4.899
75 HG23 VAL 10 2HG2 VAL 10 3.288 4.273 5.855
76 H CYS 11 H CYS 11 0.137 6.429 1.670
77 HA CYS 11 HA CYS 11 2.169 5.318 -0.004
78 HB2 CYS 11 2HB CYS 11 -0.421 6.064 -0.238
79 HB3 CYS 11 1HB CYS 11 0.352 7.431 -1.040
80 HA PRO 12 HA PRO 12 3.479 9.848 -0.788
81 HB2 PRO 12 2HB PRO 12 2.645 11.759 0.981
82 HB3 PRO 12 1HB PRO 12 1.725 11.312 -0.469
83 HG2 PRO 12 2HG PRO 12 1.270 10.569 2.363
84 HG3 PRO 12 1HG PRO 12 0.101 10.859 1.066
85 HD2 PRO 12 2HD PRO 12 0.875 8.373 1.979
86 HD3 PRO 12 1HD PRO 12 0.137 8.689 0.396
87 H ARG 13 H ARG 13 3.717 8.012 1.940
88 HA ARG 13 HA ARG 13 5.603 9.671 3.468
89 HB2 ARG 13 2HB ARG 13 4.656 6.793 3.608
90 HB3 ARG 13 1HB ARG 13 5.765 7.507 4.778
91 HG2 ARG 13 2HG ARG 13 3.066 8.715 4.139
92 HG3 ARG 13 1HG ARG 13 3.306 7.550 5.441
93 HD2 ARG 13 2HD ARG 13 4.002 9.232 6.786
94 HD3 ARG 13 1HD ARG 13 5.345 9.551 5.669
95 HE ARG 13 HE ARG 13 2.824 10.587 4.662
96 HH11 ARG 13 1HH2 ARG 13 4.640 11.204 7.442
97 HH12 ARG 13 2HH2 ARG 13 4.859 12.893 7.125
98 HH21 ARG 13 1HH1 ARG 13 3.459 12.751 3.955
99 HH22 ARG 13 2HH1 ARG 13 4.191 13.770 5.151
100 H ILE 14 H ILE 14 7.703 8.188 4.104
101 HA ILE 14 HA ILE 14 9.479 8.269 1.912
102 HB ILE 14 HB ILE 14 10.912 6.869 3.416
103 HG12 ILE 14 2HG1 ILE 14 8.349 6.731 5.040
104 HG13 ILE 14 1HG1 ILE 14 9.189 5.372 4.292
105 HG21 ILE 14 1HG2 ILE 14 10.492 8.463 5.484
106 HG22 ILE 14 2HG2 ILE 14 9.385 9.263 4.368
107 HG23 ILE 14 3HG2 ILE 14 11.095 9.117 3.961
108 HD11 ILE 14 3HD1 ILE 14 11.206 5.959 5.692
109 HD12 ILE 14 1HD1 ILE 14 9.812 5.411 6.625
110 HD13 ILE 14 2HD1 ILE 14 10.199 7.130 6.542
111 H VAL 15 H VAL 15 10.801 5.896 1.702
112 HA VAL 15 HA VAL 15 9.022 4.338 -0.029
113 HB VAL 15 HB VAL 15 11.940 4.192 0.755
114 HG11 VAL 15 1HG1 VAL 15 11.351 1.944 0.221
115 HG12 VAL 15 2HG1 VAL 15 12.038 2.608 -1.262
116 HG13 VAL 15 3HG1 VAL 15 10.289 2.455 -1.091
117 HG21 VAL 15 3HG2 VAL 15 12.101 4.810 -1.746
118 HG22 VAL 15 1HG2 VAL 15 11.542 6.072 -0.647
119 HG23 VAL 15 2HG2 VAL 15 10.381 5.187 -1.637
120 HA PRO 16 HA PRO 16 10.065 0.979 3.226
121 HB2 PRO 16 2HB PRO 16 10.832 1.824 5.716
122 HB3 PRO 16 1HB PRO 16 11.982 1.454 4.416
123 HG2 PRO 16 2HG PRO 16 11.005 4.083 5.388
124 HG3 PRO 16 1HG PRO 16 12.609 3.618 4.801
125 HD2 PRO 16 2HD PRO 16 10.768 5.001 3.325
126 HD3 PRO 16 1HD PRO 16 12.060 4.007 2.620
127 H GLU 17 H GLU 17 8.266 3.788 3.531
128 HA GLU 17 HA GLU 17 6.545 2.774 5.736
129 HB2 GLU 17 2HB GLU 17 7.185 5.327 4.414
130 HB3 GLU 17 1HB GLU 17 5.467 5.127 4.759
131 HG2 GLU 17 2HG GLU 17 6.260 4.358 7.116
132 HG3 GLU 17 1HG GLU 17 7.783 5.137 6.686
133 H ARG 18 H ARG 18 6.790 2.706 2.328
134 HA ARG 18 HA ARG 18 3.858 2.236 1.971
135 HB2 ARG 18 2HB ARG 18 6.010 3.475 0.482
136 HB3 ARG 18 1HB ARG 18 5.263 2.203 -0.486
137 HG2 ARG 18 2HG ARG 18 3.025 3.321 0.445
138 HG3 ARG 18 1HG ARG 18 4.074 4.735 0.562
139 HD2 ARG 18 2HD ARG 18 3.453 3.107 -1.923
140 HD3 ARG 18 1HD ARG 18 3.121 4.828 -1.640
141 HE ARG 18 HE ARG 18 5.791 3.648 -2.166
142 HH11 ARG 18 1HH2 ARG 18 5.904 5.724 0.030
143 HH12 ARG 18 2HH2 ARG 18 6.204 7.170 -0.873
144 HH21 ARG 18 1HH1 ARG 18 5.283 5.782 -3.913
145 HH22 ARG 18 2HH1 ARG 18 5.853 7.204 -3.105
146 H HIS 19 H HIS 19 7.034 0.844 1.039
147 HA HIS 19 HA HIS 19 6.049 -1.586 -0.062
148 HB2 HIS 19 2HB HIS 19 8.612 -0.709 1.284
149 HB3 HIS 19 1HB HIS 19 8.434 -2.317 0.589
150 HD1 HIS 19 1HD HIS 19 8.947 -2.507 -1.848
151 HD2 HIS 19 2HD HIS 19 8.021 1.412 -0.768
152 HE1 HIS 19 1HE HIS 19 9.293 -1.092 -3.919
153 H GLU 20 H GLU 20 6.765 -0.643 3.280
154 HA GLU 20 HA GLU 20 6.417 -3.346 4.347
155 HB2 GLU 20 2HB GLU 20 7.835 -1.374 5.222
156 HB3 GLU 20 1HB GLU 20 6.319 -0.719 5.842
157 HG2 GLU 20 2HG GLU 20 6.993 -3.575 6.443
158 HG3 GLU 20 1HG GLU 20 7.817 -2.306 7.349
159 H CYS 21 H CYS 21 4.311 -0.789 3.416
160 HA CYS 21 HA CYS 21 2.173 -1.120 5.296
161 HB2 CYS 21 2HB CYS 21 2.298 0.799 3.850
162 HB3 CYS 21 1HB CYS 21 2.346 -0.216 2.409
163 H CYS 22 H CYS 22 2.850 -2.694 2.163
164 HA CYS 22 HA CYS 22 0.425 -4.309 2.219
165 HB2 CYS 22 2HB CYS 22 2.837 -3.894 0.549
166 HB3 CYS 22 1HB CYS 22 2.113 -5.499 0.436
167 H ARG 23 H ARG 23 3.894 -4.967 2.810
168 HA ARG 23 HA ARG 23 3.587 -7.746 3.446
169 HB2 ARG 23 2HB ARG 23 5.595 -5.593 3.629
170 HB3 ARG 23 1HB ARG 23 5.796 -6.868 4.831
171 HG2 ARG 23 2HG ARG 23 5.428 -8.475 2.787
172 HG3 ARG 23 1HG ARG 23 5.892 -7.063 1.835
173 HD2 ARG 23 2HD ARG 23 7.868 -6.960 3.646
174 HD3 ARG 23 1HD ARG 23 7.543 -8.704 3.708
175 HE ARG 23 HE ARG 23 7.763 -8.660 1.173
176 HH11 ARG 23 1HH2 ARG 23 8.040 -5.542 1.397
177 HH12 ARG 23 2HH2 ARG 23 9.725 -5.378 1.028
178 HH21 ARG 23 1HH1 ARG 23 10.421 -8.747 1.458
179 HH22 ARG 23 2HH1 ARG 23 11.073 -7.192 1.062
180 H ALA 24 H ALA 24 2.965 -4.838 5.268
181 HA ALA 24 HA ALA 24 3.022 -6.179 7.889
182 HB1 ALA 24 3HB ALA 24 2.413 -3.952 8.679
183 HB2 ALA 24 1HB ALA 24 1.983 -3.455 7.042
184 HB3 ALA 24 2HB ALA 24 3.666 -3.790 7.449
185 H HIS 25 H HIS 25 0.701 -5.503 5.372
186 HA HIS 25 HA HIS 25 -1.561 -6.209 7.198
187 HB2 HIS 25 2HB HIS 25 -1.298 -4.819 4.523
188 HB3 HIS 25 1HB HIS 25 -2.864 -5.328 5.157
189 HD1 HIS 25 1HD HIS 25 -3.949 -3.267 6.061
190 HD2 HIS 25 2HD HIS 25 0.079 -3.473 7.112
191 HE1 HIS 25 1HE HIS 25 -3.508 -1.301 7.596
192 H GLY 26 H GLY 26 0.556 -7.841 5.350
193 HA2 GLY 26 2HA GLY 26 0.423 -10.075 4.573
194 HA3 GLY 26 1HA GLY 26 -1.315 -10.042 4.874
195 H ARG 27 H ARG 27 1.047 -8.442 2.704
196 HA ARG 27 HA ARG 27 -0.846 -8.975 0.444
197 HB2 ARG 27 2HB ARG 27 -0.008 -6.471 1.654
198 HB3 ARG 27 1HB ARG 27 0.450 -6.525 -0.049
199 HG2 ARG 27 2HG ARG 27 -1.860 -5.606 0.355
200 HG3 ARG 27 1HG ARG 27 -1.825 -7.010 -0.713
201 HD2 ARG 27 2HD ARG 27 -2.707 -8.445 0.932
202 HD3 ARG 27 1HD ARG 27 -2.236 -7.364 2.258
203 HE ARG 27 HE ARG 27 -3.965 -5.867 0.625
204 HH11 ARG 27 1HH1 ARG 27 -4.442 -9.095 1.427
205 HH12 ARG 27 2HH1 ARG 27 -5.942 -8.849 2.258
206 HH21 ARG 27 1HH2 ARG 27 -5.734 -5.388 2.157
207 HH22 ARG 27 2HH2 ARG 27 -6.673 -6.750 2.672
208 H SER 28 H SER 28 0.490 -8.259 -1.693
209 HA SER 28 HA SER 28 2.929 -9.923 -1.665
210 HB2 SER 28 2HB SER 28 1.181 -8.585 -3.726
211 HB3 SER 28 1HB SER 28 2.728 -9.293 -4.183
212 HG SER 28 HG SER 28 0.360 -10.492 -3.453
213 H GLY 29 H GLY 29 2.588 -7.084 -3.706
214 HA2 GLY 29 2HA GLY 29 4.730 -5.681 -2.195
215 HA3 GLY 29 1HA GLY 29 5.013 -6.053 -3.896
216 H TYR 30 H TYR 30 4.640 -3.419 -2.442
217 HA TYR 30 HA TYR 30 2.237 -2.110 -2.870
218 HB2 TYR 30 2HB TYR 30 3.575 -0.126 -2.970
219 HB3 TYR 30 1HB TYR 30 4.508 -1.276 -2.013
220 HD1 TYR 30 1HD TYR 30 6.176 -2.801 -3.347
221 HD2 TYR 30 2HD TYR 30 4.573 0.900 -4.824
222 HE1 TYR 30 1HE TYR 30 8.050 -2.635 -4.964
223 HE2 TYR 30 2HE TYR 30 6.446 1.066 -6.441
224 HH TYR 30 HH TYR 30 8.468 -1.514 -7.180
225 H ALA 31 H ALA 31 0.947 -1.880 -4.659
226 HA ALA 31 HA ALA 31 2.076 -2.473 -7.347
227 HB1 ALA 31 3HB ALA 31 -0.120 -3.006 -7.904
228 HB2 ALA 31 1HB ALA 31 -0.793 -1.805 -6.802
229 HB3 ALA 31 2HB ALA 31 -0.157 -3.323 -6.169
230 H TYR 32 H TYR 32 -0.212 -0.084 -6.003
231 HA TYR 32 HA TYR 32 1.156 2.222 -7.071
232 HB2 TYR 32 2HB TYR 32 -0.648 2.519 -8.920
233 HB3 TYR 32 1HB TYR 32 0.631 1.341 -9.217
234 HD1 TYR 32 1HD TYR 32 -2.908 1.772 -8.235
235 HD2 TYR 32 2HD TYR 32 0.170 -1.052 -9.237
236 HE1 TYR 32 1HE TYR 32 -4.616 -0.008 -8.444
237 HE2 TYR 32 2HE TYR 32 -1.542 -2.833 -9.447
238 HH TYR 32 HH TYR 32 -5.006 -2.121 -9.010
239 H CYS 33 H CYS 33 -0.149 4.190 -6.724
240 HA CYS 33 HA CYS 33 -2.390 3.725 -4.794
241 HB2 CYS 33 2HB CYS 33 -0.092 5.490 -4.984
242 HB3 CYS 33 1HB CYS 33 -1.575 6.420 -4.777
243 H SER 34 H SER 34 -4.276 3.748 -5.978
244 HA SER 34 HA SER 34 -4.608 5.831 -8.097
245 HB2 SER 34 2HB SER 34 -5.410 4.034 -9.210
246 HB3 SER 34 1HB SER 34 -5.279 3.038 -7.763
247 HG SER 34 HG SER 34 -7.450 3.322 -8.640
248 H GLY 35 H GLY 35 -6.188 7.404 -7.845
249 HA2 GLY 35 2HA GLY 35 -7.631 8.801 -6.609
250 HA3 GLY 35 1HA GLY 35 -8.570 7.318 -6.431
251 H GLY 36 H GLY 36 -9.193 7.860 -4.269
252 HA2 GLY 36 2HA GLY 36 -7.087 8.280 -2.256
253 HA3 GLY 36 1HA GLY 36 -8.824 8.255 -1.948
254 H GLY 37 H GLY 37 -6.662 5.844 -3.466
255 HA2 GLY 37 2HA GLY 37 -6.831 4.029 -1.212
256 HA3 GLY 37 1HA GLY 37 -7.919 3.551 -2.516
257 H MET 38 H MET 38 -5.194 2.519 -1.399
258 HA MET 38 HA MET 38 -3.660 2.539 -3.963
259 HB2 MET 38 2HB MET 38 -2.668 3.225 -1.721
260 HB3 MET 38 1HB MET 38 -2.847 1.544 -1.221
261 HG2 MET 38 2HG MET 38 -1.372 0.787 -2.970
262 HG3 MET 38 1HG MET 38 -1.344 2.388 -3.711
263 HE1 MET 38 3HE MET 38 1.928 0.925 -2.055
264 HE2 MET 38 1HE MET 38 0.451 0.129 -2.614
265 HE3 MET 38 2HE MET 38 0.813 0.215 -0.891
266 H TYR 39 H TYR 39 -2.549 0.354 -4.417
267 HA TYR 39 HA TYR 39 -4.190 -1.986 -3.569
268 HB2 TYR 39 2HB TYR 39 -3.571 -1.197 -6.435
269 HB3 TYR 39 1HB TYR 39 -4.522 -2.592 -5.923
270 HD1 TYR 39 2HD TYR 39 -6.752 -2.313 -4.945
271 HD2 TYR 39 1HD TYR 39 -4.469 1.066 -6.292
272 HE1 TYR 39 2HE TYR 39 -8.788 -0.902 -4.848
273 HE2 TYR 39 1HE TYR 39 -6.504 2.478 -6.194
274 HH TYR 39 HH TYR 39 -9.044 2.054 -6.330
275 H CYS 40 H CYS 40 -3.054 -4.007 -3.831
276 HA CYS 40 HA CYS 40 -0.104 -3.681 -4.292
277 HB2 CYS 40 2HB CYS 40 -1.522 -4.515 -2.065
278 HB3 CYS 40 1HB CYS 40 -1.053 -6.039 -2.818
279 H ASN 41 H ASN 41 0.959 -5.365 -5.488
280 HA ASN 41 HA ASN 41 -0.885 -6.982 -7.203
281 HB2 ASN 41 2HB ASN 41 1.526 -5.382 -7.580
282 HB3 ASN 41 1HB ASN 41 1.696 -6.993 -8.278
283 HD21 ASN 41 1HD2 ASN 41 1.381 -6.503 -10.500
284 HD22 ASN 41 2HD2 ASN 41 -0.039 -5.803 -11.111
Start of MODEL 12
1 H1 ALA 1 1HT ALA 1 -3.893 -8.120 -9.061
2 H2 ALA 1 2HT ALA 1 -5.413 -8.089 -8.302
3 H3 ALA 1 3HT ALA 1 -4.192 -9.119 -7.723
4 HA ALA 1 HA ALA 1 -2.881 -7.276 -6.964
5 HB1 ALA 1 3HB ALA 1 -5.075 -5.651 -8.294
6 HB2 ALA 1 1HB ALA 1 -3.464 -5.914 -8.960
7 HB3 ALA 1 2HB ALA 1 -3.663 -4.993 -7.468
8 H VAL 2 H VAL 2 -3.734 -5.552 -5.223
9 HA VAL 2 HA VAL 2 -6.299 -6.461 -4.008
10 HB VAL 2 HB VAL 2 -5.061 -6.742 -1.838
11 HG11 VAL 2 1HG1 VAL 2 -3.984 -8.891 -2.480
12 HG12 VAL 2 2HG1 VAL 2 -4.112 -8.427 -4.176
13 HG13 VAL 2 3HG1 VAL 2 -5.571 -8.698 -3.225
14 HG21 VAL 2 3HG2 VAL 2 -2.508 -7.107 -2.250
15 HG22 VAL 2 1HG2 VAL 2 -3.105 -5.458 -2.069
16 HG23 VAL 2 2HG2 VAL 2 -2.761 -6.099 -3.676
17 H ARG 3 H ARG 3 -6.113 -5.073 -1.627
18 HA ARG 3 HA ARG 3 -5.361 -2.274 -2.271
19 HB2 ARG 3 2HB ARG 3 -7.530 -2.180 -3.046
20 HB3 ARG 3 1HB ARG 3 -8.070 -3.499 -2.022
21 HG2 ARG 3 2HG ARG 3 -9.039 -1.287 -1.359
22 HG3 ARG 3 1HG ARG 3 -8.107 -2.049 -0.072
23 HD2 ARG 3 2HD ARG 3 -6.113 -0.647 -0.879
24 HD3 ARG 3 1HD ARG 3 -7.291 0.276 -1.833
25 HE ARG 3 HE ARG 3 -7.365 0.013 1.149
26 HH11 ARG 3 1HH1 ARG 3 -9.338 0.833 -1.429
27 HH12 ARG 3 2HH1 ARG 3 -9.727 2.422 -0.860
28 HH21 ARG 3 1HH2 ARG 3 -7.423 2.349 1.729
29 HH22 ARG 3 2HH2 ARG 3 -8.643 3.280 0.927
30 H ILE 4 H ILE 4 -4.277 -1.559 -0.494
31 HA ILE 4 HA ILE 4 -4.847 -2.789 2.164
32 HB ILE 4 HB ILE 4 -2.571 -1.181 0.978
33 HG12 ILE 4 2HG1 ILE 4 -2.762 -3.582 0.341
34 HG13 ILE 4 1HG1 ILE 4 -1.317 -3.260 1.301
35 HG21 ILE 4 1HG2 ILE 4 -1.430 -1.371 3.099
36 HG22 ILE 4 2HG2 ILE 4 -2.732 -2.355 3.767
37 HG23 ILE 4 3HG2 ILE 4 -3.009 -0.649 3.413
38 HD11 ILE 4 3HD1 ILE 4 -2.165 -5.142 2.382
39 HD12 ILE 4 1HD1 ILE 4 -3.841 -4.674 2.099
40 HD13 ILE 4 2HD1 ILE 4 -2.889 -3.845 3.331
41 H GLY 5 H GLY 5 -5.101 -1.343 4.019
42 HA2 GLY 5 2HA GLY 5 -6.697 1.006 3.388
43 HA3 GLY 5 1HA GLY 5 -6.307 0.429 5.003
44 HA PRO 6 HA PRO 6 -3.258 3.514 5.417
45 HB2 PRO 6 2HB PRO 6 -1.119 2.251 6.545
46 HB3 PRO 6 1HB PRO 6 -2.623 2.604 7.407
47 HG2 PRO 6 2HG PRO 6 -1.644 0.049 6.274
48 HG3 PRO 6 1HG PRO 6 -2.648 0.338 7.702
49 HD2 PRO 6 2HD PRO 6 -3.577 -0.539 5.240
50 HD3 PRO 6 1HD PRO 6 -4.574 0.205 6.509
51 H CYS 7 H CYS 7 -2.990 1.728 2.832
52 HA CYS 7 HA CYS 7 -0.102 2.166 2.284
53 HB2 CYS 7 2HB CYS 7 -1.496 0.076 1.735
54 HB3 CYS 7 1HB CYS 7 -2.227 1.036 0.451
55 H ASP 8 H ASP 8 -3.299 3.375 1.561
56 HA ASP 8 HA ASP 8 -2.349 5.236 -0.530
57 HB2 ASP 8 2HB ASP 8 -4.547 4.367 -0.845
58 HB3 ASP 8 1HB ASP 8 -4.964 4.591 0.856
59 H GLN 9 H GLN 9 -2.938 5.051 2.886
60 HA GLN 9 HA GLN 9 -2.932 7.952 3.359
61 HB2 GLN 9 2HB GLN 9 -4.229 6.439 4.774
62 HB3 GLN 9 1HB GLN 9 -2.786 5.490 5.135
63 HG2 GLN 9 2HG GLN 9 -2.090 6.949 6.720
64 HG3 GLN 9 1HG GLN 9 -2.461 8.349 5.713
65 HE21 GLN 9 1HE2 GLN 9 -4.713 5.774 6.808
66 HE22 GLN 9 2HE2 GLN 9 -5.736 6.821 7.667
67 H VAL 10 H VAL 10 -0.723 5.169 3.900
68 HA VAL 10 HA VAL 10 1.465 7.035 4.664
69 HB VAL 10 HB VAL 10 0.806 4.687 5.651
70 HG11 VAL 10 1HG1 VAL 10 2.716 3.742 3.518
71 HG12 VAL 10 2HG1 VAL 10 0.975 3.718 3.244
72 HG13 VAL 10 3HG1 VAL 10 1.671 2.782 4.566
73 HG21 VAL 10 3HG2 VAL 10 3.708 5.210 4.946
74 HG22 VAL 10 1HG2 VAL 10 3.091 4.350 6.357
75 HG23 VAL 10 2HG2 VAL 10 2.837 6.088 6.203
76 H CYS 11 H CYS 11 0.152 6.459 1.838
77 HA CYS 11 HA CYS 11 2.155 5.375 0.118
78 HB2 CYS 11 2HB CYS 11 -0.418 6.075 -0.093
79 HB3 CYS 11 1HB CYS 11 0.294 7.533 -0.782
80 HA PRO 12 HA PRO 12 3.489 9.919 -0.586
81 HB2 PRO 12 2HB PRO 12 2.849 11.755 1.338
82 HB3 PRO 12 1HB PRO 12 1.815 11.415 -0.063
83 HG2 PRO 12 2HG PRO 12 1.545 10.522 2.751
84 HG3 PRO 12 1HG PRO 12 0.295 10.930 1.567
85 HD2 PRO 12 2HD PRO 12 1.020 8.371 2.267
86 HD3 PRO 12 1HD PRO 12 0.210 8.810 0.749
87 H ARG 13 H ARG 13 3.887 7.945 2.035
88 HA ARG 13 HA ARG 13 5.956 9.493 3.446
89 HB2 ARG 13 2HB ARG 13 4.911 6.647 3.602
90 HB3 ARG 13 1HB ARG 13 6.138 7.295 4.692
91 HG2 ARG 13 2HG ARG 13 3.971 9.161 4.574
92 HG3 ARG 13 1HG ARG 13 3.307 7.559 4.892
93 HD2 ARG 13 2HD ARG 13 4.082 7.608 7.019
94 HD3 ARG 13 1HD ARG 13 5.721 7.994 6.456
95 HE ARG 13 HE ARG 13 5.013 10.382 6.343
96 HH11 ARG 13 1HH1 ARG 13 2.033 9.385 6.605
97 HH12 ARG 13 2HH1 ARG 13 1.660 10.029 8.168
98 HH21 ARG 13 1HH2 ARG 13 4.967 10.683 8.981
99 HH22 ARG 13 2HH2 ARG 13 3.321 10.765 9.513
100 H ILE 14 H ILE 14 8.114 8.116 3.799
101 HA ILE 14 HA ILE 14 9.599 8.095 1.409
102 HB ILE 14 HB ILE 14 11.205 6.728 2.769
103 HG12 ILE 14 2HG1 ILE 14 8.839 6.648 4.666
104 HG13 ILE 14 1HG1 ILE 14 9.652 5.269 3.924
105 HG21 ILE 14 1HG2 ILE 14 10.537 9.306 3.066
106 HG22 ILE 14 2HG2 ILE 14 11.740 8.526 4.094
107 HG23 ILE 14 3HG2 ILE 14 10.084 8.728 4.670
108 HD11 ILE 14 3HD1 ILE 14 10.866 7.210 5.912
109 HD12 ILE 14 1HD1 ILE 14 11.750 5.915 5.107
110 HD13 ILE 14 2HD1 ILE 14 10.439 5.527 6.221
111 H VAL 15 H VAL 15 10.889 5.702 1.122
112 HA VAL 15 HA VAL 15 8.964 4.129 -0.399
113 HB VAL 15 HB VAL 15 11.908 3.911 0.249
114 HG11 VAL 15 1HG1 VAL 15 10.055 1.930 -0.890
115 HG12 VAL 15 2HG1 VAL 15 11.688 1.710 -0.262
116 HG13 VAL 15 3HG1 VAL 15 11.449 2.266 -1.919
117 HG21 VAL 15 3HG2 VAL 15 12.234 5.002 -1.738
118 HG22 VAL 15 1HG2 VAL 15 10.590 5.578 -1.461
119 HG23 VAL 15 2HG2 VAL 15 10.874 4.194 -2.517
120 HA PRO 16 HA PRO 16 10.042 0.823 2.915
121 HB2 PRO 16 2HB PRO 16 10.916 1.740 5.349
122 HB3 PRO 16 1HB PRO 16 12.013 1.268 4.035
123 HG2 PRO 16 2HG PRO 16 11.125 3.983 4.876
124 HG3 PRO 16 1HG PRO 16 12.722 3.431 4.346
125 HD2 PRO 16 2HD PRO 16 11.025 4.792 2.739
126 HD3 PRO 16 1HD PRO 16 12.189 3.603 2.117
127 H GLU 17 H GLU 17 8.476 3.812 3.309
128 HA GLU 17 HA GLU 17 6.712 2.903 5.511
129 HB2 GLU 17 2HB GLU 17 7.407 5.400 4.064
130 HB3 GLU 17 1HB GLU 17 5.734 5.284 4.607
131 HG2 GLU 17 2HG GLU 17 8.049 4.676 6.449
132 HG3 GLU 17 1HG GLU 17 7.413 6.311 6.262
133 H ARG 18 H ARG 18 6.864 3.002 2.058
134 HA ARG 18 HA ARG 18 3.943 2.724 1.682
135 HB2 ARG 18 2HB ARG 18 6.406 2.976 -0.040
136 HB3 ARG 18 1HB ARG 18 4.865 2.507 -0.751
137 HG2 ARG 18 2HG ARG 18 3.819 4.545 -0.070
138 HG3 ARG 18 1HG ARG 18 5.170 4.963 0.984
139 HD2 ARG 18 2HD ARG 18 5.471 6.292 -0.990
140 HD3 ARG 18 1HD ARG 18 6.616 4.946 -1.162
141 HE ARG 18 HE ARG 18 4.249 3.991 -2.275
142 HH11 ARG 18 1HH2 ARG 18 4.695 7.193 -2.712
143 HH12 ARG 18 2HH2 ARG 18 5.063 7.138 -4.404
144 HH21 ARG 18 1HH1 ARG 18 5.431 3.692 -4.481
145 HH22 ARG 18 2HH1 ARG 18 5.479 5.157 -5.405
146 H HIS 19 H HIS 19 6.929 0.826 1.142
147 HA HIS 19 HA HIS 19 5.652 -1.550 0.168
148 HB2 HIS 19 2HB HIS 19 8.253 -0.565 0.947
149 HB3 HIS 19 1HB HIS 19 8.025 -2.197 1.577
150 HD1 HIS 19 1HD HIS 19 6.304 -3.395 -0.683
151 HD2 HIS 19 2HD HIS 19 9.721 -1.103 -1.351
152 HE1 HIS 19 1HE HIS 19 7.142 -4.016 -2.991
153 H GLU 20 H GLU 20 5.916 -0.201 3.353
154 HA GLU 20 HA GLU 20 5.595 -2.719 4.804
155 HB2 GLU 20 2HB GLU 20 6.661 -0.421 5.469
156 HB3 GLU 20 1HB GLU 20 5.002 0.035 5.864
157 HG2 GLU 20 2HG GLU 20 5.488 -0.897 7.886
158 HG3 GLU 20 1HG GLU 20 5.150 -2.415 7.053
159 H CYS 21 H CYS 21 3.457 -0.600 3.139
160 HA CYS 21 HA CYS 21 1.106 -0.928 4.780
161 HB2 CYS 21 2HB CYS 21 0.045 0.200 2.984
162 HB3 CYS 21 1HB CYS 21 1.706 0.780 2.929
163 H CYS 22 H CYS 22 2.440 -2.723 2.022
164 HA CYS 22 HA CYS 22 0.149 -4.565 1.921
165 HB2 CYS 22 2HB CYS 22 2.739 -4.116 0.478
166 HB3 CYS 22 1HB CYS 22 1.942 -5.679 0.304
167 H ARG 23 H ARG 23 3.608 -4.781 2.834
168 HA ARG 23 HA ARG 23 3.537 -7.537 3.637
169 HB2 ARG 23 2HB ARG 23 5.297 -5.160 3.874
170 HB3 ARG 23 1HB ARG 23 5.558 -6.418 5.082
171 HG2 ARG 23 2HG ARG 23 5.221 -7.728 2.583
172 HG3 ARG 23 1HG ARG 23 6.354 -6.402 2.322
173 HD2 ARG 23 2HD ARG 23 7.547 -7.229 4.462
174 HD3 ARG 23 1HD ARG 23 6.599 -8.715 4.254
175 HE ARG 23 HE ARG 23 7.969 -7.771 1.827
176 HH11 ARG 23 1HH2 ARG 23 7.199 -10.435 3.642
177 HH12 ARG 23 2HH2 ARG 23 8.717 -11.247 3.456
178 HH21 ARG 23 1HH1 ARG 23 10.297 -8.524 2.002
179 HH22 ARG 23 2HH1 ARG 23 10.470 -10.165 2.526
180 H ALA 24 H ALA 24 2.723 -4.538 5.310
181 HA ALA 24 HA ALA 24 2.709 -5.629 7.990
182 HB1 ALA 24 3HB ALA 24 1.329 -3.256 6.691
183 HB2 ALA 24 1HB ALA 24 2.900 -3.241 7.492
184 HB3 ALA 24 2HB ALA 24 1.434 -3.517 8.432
185 H HIS 25 H HIS 25 0.211 -5.212 5.482
186 HA HIS 25 HA HIS 25 -1.794 -6.528 7.247
187 HB2 HIS 25 2HB HIS 25 -1.965 -5.150 4.547
188 HB3 HIS 25 1HB HIS 25 -3.349 -5.740 5.467
189 HD1 HIS 25 1HD HIS 25 -4.356 -3.428 5.967
190 HD2 HIS 25 2HD HIS 25 -0.406 -3.801 7.246
191 HE1 HIS 25 1HE HIS 25 -3.875 -1.406 7.417
192 H GLY 26 H GLY 26 0.447 -8.062 6.055
193 HA2 GLY 26 2HA GLY 26 0.809 -10.028 4.820
194 HA3 GLY 26 1HA GLY 26 -0.860 -10.404 5.252
195 H ARG 27 H ARG 27 1.087 -8.610 2.867
196 HA ARG 27 HA ARG 27 -0.965 -9.314 0.813
197 HB2 ARG 27 2HB ARG 27 -0.569 -6.778 2.017
198 HB3 ARG 27 1HB ARG 27 0.097 -6.662 0.388
199 HG2 ARG 27 2HG ARG 27 -2.255 -6.089 0.279
200 HG3 ARG 27 1HG ARG 27 -2.038 -7.665 -0.483
201 HD2 ARG 27 2HD ARG 27 -2.907 -8.820 1.427
202 HD3 ARG 27 1HD ARG 27 -2.815 -7.361 2.434
203 HE ARG 27 HE ARG 27 -4.405 -6.653 0.235
204 HH11 ARG 27 1HH2 ARG 27 -4.924 -7.270 3.354
205 HH12 ARG 27 2HH2 ARG 27 -6.427 -8.112 3.189
206 HH21 ARG 27 1HH1 ARG 27 -6.147 -8.483 -0.247
207 HH22 ARG 27 2HH1 ARG 27 -7.120 -8.799 1.151
208 H SER 28 H SER 28 0.318 -7.798 -1.251
209 HA SER 28 HA SER 28 2.794 -9.431 -1.602
210 HB2 SER 28 2HB SER 28 0.662 -9.286 -3.162
211 HB3 SER 28 1HB SER 28 1.439 -7.815 -3.743
212 HG SER 28 HG SER 28 3.376 -9.410 -3.762
213 H GLY 29 H GLY 29 3.439 -7.451 -3.853
214 HA2 GLY 29 2HA GLY 29 4.938 -5.552 -2.129
215 HA3 GLY 29 1HA GLY 29 5.321 -5.927 -3.810
216 H TYR 30 H TYR 30 4.724 -3.313 -2.373
217 HA TYR 30 HA TYR 30 2.301 -2.117 -2.939
218 HB2 TYR 30 2HB TYR 30 3.530 -0.088 -2.919
219 HB3 TYR 30 1HB TYR 30 4.542 -1.205 -2.007
220 HD1 TYR 30 1HD TYR 30 5.937 -2.807 -3.902
221 HD2 TYR 30 2HD TYR 30 4.827 1.331 -4.232
222 HE1 TYR 30 1HE TYR 30 7.785 -2.438 -5.512
223 HE2 TYR 30 2HE TYR 30 6.676 1.697 -5.842
224 HH TYR 30 HH TYR 30 9.196 -0.070 -6.178
225 H ALA 31 H ALA 31 1.142 -1.623 -4.783
226 HA ALA 31 HA ALA 31 2.402 -2.281 -7.417
227 HB1 ALA 31 3HB ALA 31 -0.524 -1.786 -6.997
228 HB2 ALA 31 1HB ALA 31 0.174 -3.274 -6.356
229 HB3 ALA 31 2HB ALA 31 0.268 -2.927 -8.084
230 H TYR 32 H TYR 32 -0.048 -0.013 -6.136
231 HA TYR 32 HA TYR 32 1.239 2.357 -7.160
232 HB2 TYR 32 2HB TYR 32 -0.541 2.580 -9.049
233 HB3 TYR 32 1HB TYR 32 0.812 1.482 -9.323
234 HD1 TYR 32 2HD TYR 32 -2.768 1.690 -8.409
235 HD2 TYR 32 1HD TYR 32 0.493 -0.928 -9.400
236 HE1 TYR 32 2HE TYR 32 -4.361 -0.187 -8.677
237 HE2 TYR 32 1HE TYR 32 -1.104 -2.806 -9.665
238 HH TYR 32 HH TYR 32 -3.432 -3.197 -10.081
239 H CYS 33 H CYS 33 0.122 4.185 -6.385
240 HA CYS 33 HA CYS 33 -2.192 3.671 -4.630
241 HB2 CYS 33 2HB CYS 33 -0.021 5.546 -4.904
242 HB3 CYS 33 1HB CYS 33 -1.543 6.430 -4.823
243 H SER 34 H SER 34 -4.216 3.726 -5.515
244 HA SER 34 HA SER 34 -4.774 5.767 -7.641
245 HB2 SER 34 2HB SER 34 -4.977 3.957 -8.999
246 HB3 SER 34 1HB SER 34 -4.944 2.841 -7.636
247 HG SER 34 HG SER 34 -7.054 2.811 -7.627
248 H GLY 35 H GLY 35 -6.651 6.933 -7.294
249 HA2 GLY 35 2HA GLY 35 -8.573 7.704 -6.192
250 HA3 GLY 35 1HA GLY 35 -8.967 6.003 -5.936
251 H GLY 36 H GLY 36 -9.757 6.591 -3.794
252 HA2 GLY 36 2HA GLY 36 -7.801 7.624 -1.852
253 HA3 GLY 36 1HA GLY 36 -9.483 7.215 -1.510
254 H GLY 37 H GLY 37 -6.793 5.306 -2.889
255 HA2 GLY 37 2HA GLY 37 -6.276 3.700 -0.620
256 HA3 GLY 37 1HA GLY 37 -7.560 2.905 -1.532
257 H MET 38 H MET 38 -4.453 2.518 -1.101
258 HA MET 38 HA MET 38 -3.491 2.538 -3.888
259 HB2 MET 38 2HB MET 38 -2.130 3.087 -1.830
260 HB3 MET 38 1HB MET 38 -2.252 1.389 -1.371
261 HG2 MET 38 2HG MET 38 -0.946 0.671 -3.175
262 HG3 MET 38 1HG MET 38 -1.264 2.131 -4.112
263 HE1 MET 38 3HE MET 38 1.122 0.633 -3.823
264 HE2 MET 38 1HE MET 38 1.856 0.570 -2.215
265 HE3 MET 38 2HE MET 38 2.484 1.679 -3.432
266 H TYR 39 H TYR 39 -2.318 0.366 -4.541
267 HA TYR 39 HA TYR 39 -3.944 -2.007 -3.740
268 HB2 TYR 39 2HB TYR 39 -3.383 -1.056 -6.569
269 HB3 TYR 39 1HB TYR 39 -4.281 -2.510 -6.133
270 HD1 TYR 39 1HD TYR 39 -4.307 1.191 -6.075
271 HD2 TYR 39 2HD TYR 39 -6.543 -2.393 -5.297
272 HE1 TYR 39 1HE TYR 39 -6.381 2.530 -5.858
273 HE2 TYR 39 2HE TYR 39 -8.617 -1.054 -5.080
274 HH TYR 39 HH TYR 39 -9.517 1.050 -5.679
275 H CYS 40 H CYS 40 -2.817 -4.010 -4.061
276 HA CYS 40 HA CYS 40 0.130 -3.679 -4.499
277 HB2 CYS 40 2HB CYS 40 -1.393 -4.776 -2.429
278 HB3 CYS 40 1HB CYS 40 -0.797 -6.182 -3.313
279 H ASN 41 H ASN 41 1.217 -5.367 -5.734
280 HA ASN 41 HA ASN 41 -0.474 -6.452 -7.911
281 HB2 ASN 41 2HB ASN 41 2.386 -5.805 -7.391
282 HB3 ASN 41 1HB ASN 41 2.073 -7.110 -8.535
283 HD21 ASN 41 1HD2 ASN 41 2.855 -4.028 -8.734
284 HD22 ASN 41 2HD2 ASN 41 1.851 -3.489 -9.993
Start of MODEL 13
1 H1 ALA 1 1HT ALA 1 -2.873 -8.160 -8.617
2 H2 ALA 1 2HT ALA 1 -3.962 -8.657 -7.412
3 H3 ALA 1 3HT ALA 1 -2.323 -8.413 -7.033
4 HA ALA 1 HA ALA 1 -2.519 -6.161 -6.922
5 HB1 ALA 1 3HB ALA 1 -4.546 -5.218 -8.403
6 HB2 ALA 1 1HB ALA 1 -4.339 -6.771 -9.214
7 HB3 ALA 1 2HB ALA 1 -2.992 -5.635 -9.127
8 H VAL 2 H VAL 2 -3.348 -5.659 -4.930
9 HA VAL 2 HA VAL 2 -6.249 -6.222 -4.430
10 HB VAL 2 HB VAL 2 -5.536 -6.750 -2.097
11 HG11 VAL 2 1HG1 VAL 2 -4.216 -8.291 -4.348
12 HG12 VAL 2 2HG1 VAL 2 -5.788 -8.609 -3.615
13 HG13 VAL 2 3HG1 VAL 2 -4.313 -8.883 -2.688
14 HG21 VAL 2 3HG2 VAL 2 -3.493 -6.105 -1.404
15 HG22 VAL 2 1HG2 VAL 2 -3.105 -5.552 -3.032
16 HG23 VAL 2 2HG2 VAL 2 -2.759 -7.216 -2.561
17 H ARG 3 H ARG 3 -6.162 -5.004 -1.817
18 HA ARG 3 HA ARG 3 -5.349 -2.188 -2.334
19 HB2 ARG 3 2HB ARG 3 -7.512 -2.045 -3.124
20 HB3 ARG 3 1HB ARG 3 -8.067 -3.407 -2.166
21 HG2 ARG 3 2HG ARG 3 -9.044 -1.237 -1.407
22 HG3 ARG 3 1HG ARG 3 -8.106 -2.042 -0.150
23 HD2 ARG 3 2HD ARG 3 -6.135 -0.594 -0.797
24 HD3 ARG 3 1HD ARG 3 -7.231 0.307 -1.862
25 HE ARG 3 HE ARG 3 -7.291 0.334 1.082
26 HH11 ARG 3 1HH1 ARG 3 -7.957 2.227 -1.484
27 HH12 ARG 3 2HH1 ARG 3 -9.545 2.719 -0.996
28 HH21 ARG 3 1HH2 ARG 3 -9.777 0.377 1.550
29 HH22 ARG 3 2HH2 ARG 3 -10.574 1.672 0.721
30 H ILE 4 H ILE 4 -4.278 -1.560 -0.523
31 HA ILE 4 HA ILE 4 -4.892 -2.871 2.085
32 HB ILE 4 HB ILE 4 -2.580 -1.378 0.855
33 HG12 ILE 4 2HG1 ILE 4 -2.828 -3.841 0.552
34 HG13 ILE 4 1HG1 ILE 4 -1.372 -3.417 1.453
35 HG21 ILE 4 1HG2 ILE 4 -2.365 -0.385 2.919
36 HG22 ILE 4 2HG2 ILE 4 -1.609 -1.935 3.297
37 HG23 ILE 4 3HG2 ILE 4 -3.292 -1.644 3.734
38 HD11 ILE 4 3HD1 ILE 4 -3.795 -4.855 2.351
39 HD12 ILE 4 1HD1 ILE 4 -3.182 -3.648 3.482
40 HD13 ILE 4 2HD1 ILE 4 -2.137 -4.962 2.943
41 H GLY 5 H GLY 5 -5.335 -1.551 3.938
42 HA2 GLY 5 2HA GLY 5 -6.874 0.820 3.421
43 HA3 GLY 5 1HA GLY 5 -6.416 0.231 5.013
44 HA PRO 6 HA PRO 6 -3.442 3.398 5.365
45 HB2 PRO 6 2HB PRO 6 -1.261 2.183 6.467
46 HB3 PRO 6 1HB PRO 6 -2.757 2.513 7.353
47 HG2 PRO 6 2HG PRO 6 -1.757 -0.029 6.203
48 HG3 PRO 6 1HG PRO 6 -2.720 0.246 7.661
49 HD2 PRO 6 2HD PRO 6 -3.723 -0.664 5.250
50 HD3 PRO 6 1HD PRO 6 -4.686 0.104 6.529
51 H CYS 7 H CYS 7 -3.204 1.644 2.775
52 HA CYS 7 HA CYS 7 -0.327 2.081 2.173
53 HB2 CYS 7 2HB CYS 7 -2.568 0.432 1.235
54 HB3 CYS 7 1HB CYS 7 -1.599 1.092 -0.078
55 H ASP 8 H ASP 8 -3.503 3.368 1.656
56 HA ASP 8 HA ASP 8 -2.641 5.220 -0.490
57 HB2 ASP 8 2HB ASP 8 -4.890 4.109 -0.446
58 HB3 ASP 8 1HB ASP 8 -5.238 4.937 1.073
59 H GLN 9 H GLN 9 -3.093 5.011 2.947
60 HA GLN 9 HA GLN 9 -3.015 7.919 3.421
61 HB2 GLN 9 2HB GLN 9 -3.129 5.386 5.063
62 HB3 GLN 9 1HB GLN 9 -2.823 6.941 5.838
63 HG2 GLN 9 2HG GLN 9 -4.931 7.647 4.332
64 HG3 GLN 9 1HG GLN 9 -5.301 5.933 4.525
65 HE21 GLN 9 1HE2 GLN 9 -7.122 6.440 5.968
66 HE22 GLN 9 2HE2 GLN 9 -6.851 6.958 7.562
67 H VAL 10 H VAL 10 -0.891 5.064 3.849
68 HA VAL 10 HA VAL 10 1.372 6.828 4.632
69 HB VAL 10 HB VAL 10 0.648 4.455 5.540
70 HG11 VAL 10 1HG1 VAL 10 0.906 3.654 3.011
71 HG12 VAL 10 2HG1 VAL 10 1.324 2.585 4.351
72 HG13 VAL 10 3HG1 VAL 10 2.591 3.460 3.492
73 HG21 VAL 10 3HG2 VAL 10 3.522 5.156 4.860
74 HG22 VAL 10 1HG2 VAL 10 3.029 3.970 6.069
75 HG23 VAL 10 2HG2 VAL 10 2.638 5.676 6.294
76 H CYS 11 H CYS 11 -0.037 6.326 1.813
77 HA CYS 11 HA CYS 11 1.936 5.288 0.026
78 HB2 CYS 11 2HB CYS 11 -0.655 6.002 -0.099
79 HB3 CYS 11 1HB CYS 11 0.058 7.444 -0.820
80 HA PRO 12 HA PRO 12 3.229 9.853 -0.591
81 HB2 PRO 12 2HB PRO 12 2.566 11.653 1.357
82 HB3 PRO 12 1HB PRO 12 1.532 11.317 -0.046
83 HG2 PRO 12 2HG PRO 12 1.275 10.393 2.757
84 HG3 PRO 12 1HG PRO 12 0.020 10.786 1.575
85 HD2 PRO 12 2HD PRO 12 0.809 8.234 2.262
86 HD3 PRO 12 1HD PRO 12 -0.035 8.666 0.760
87 H ARG 13 H ARG 13 3.649 7.833 1.978
88 HA ARG 13 HA ARG 13 5.666 9.366 3.468
89 HB2 ARG 13 2HB ARG 13 4.710 6.486 3.470
90 HB3 ARG 13 1HB ARG 13 5.905 7.115 4.606
91 HG2 ARG 13 2HG ARG 13 3.189 8.395 4.253
92 HG3 ARG 13 1HG ARG 13 3.476 7.102 5.418
93 HD2 ARG 13 2HD ARG 13 4.208 8.680 6.870
94 HD3 ARG 13 1HD ARG 13 5.584 8.963 5.785
95 HE ARG 13 HE ARG 13 3.397 10.301 4.629
96 HH11 ARG 13 1HH1 ARG 13 2.891 10.695 7.648
97 HH12 ARG 13 2HH1 ARG 13 3.658 12.228 7.898
98 HH21 ARG 13 1HH2 ARG 13 5.395 12.145 4.897
99 HH22 ARG 13 2HH2 ARG 13 5.075 13.049 6.339
100 H ILE 14 H ILE 14 7.864 8.071 3.773
101 HA ILE 14 HA ILE 14 9.369 8.183 1.399
102 HB ILE 14 HB ILE 14 11.007 6.814 2.727
103 HG12 ILE 14 2HG1 ILE 14 8.633 6.617 4.610
104 HG13 ILE 14 1HG1 ILE 14 9.471 5.282 3.820
105 HG21 ILE 14 1HG2 ILE 14 11.513 8.660 3.935
106 HG22 ILE 14 2HG2 ILE 14 9.963 8.643 4.776
107 HG23 ILE 14 3HG2 ILE 14 10.089 9.370 3.174
108 HD11 ILE 14 3HD1 ILE 14 10.421 5.296 5.970
109 HD12 ILE 14 1HD1 ILE 14 10.442 7.058 6.049
110 HD13 ILE 14 2HD1 ILE 14 11.591 6.208 5.016
111 H VAL 15 H VAL 15 10.734 5.866 1.005
112 HA VAL 15 HA VAL 15 8.852 4.257 -0.540
113 HB VAL 15 HB VAL 15 11.819 4.195 0.034
114 HG11 VAL 15 1HG1 VAL 15 11.710 2.512 -1.987
115 HG12 VAL 15 2HG1 VAL 15 10.068 2.224 -1.413
116 HG13 VAL 15 3HG1 VAL 15 11.442 1.919 -0.349
117 HG21 VAL 15 3HG2 VAL 15 11.890 4.759 -2.410
118 HG22 VAL 15 1HG2 VAL 15 11.060 5.980 -1.445
119 HG23 VAL 15 2HG2 VAL 15 10.128 4.832 -2.405
120 HA PRO 16 HA PRO 16 10.153 0.918 2.649
121 HB2 PRO 16 2HB PRO 16 11.106 1.791 5.067
122 HB3 PRO 16 1HB PRO 16 12.155 1.401 3.691
123 HG2 PRO 16 2HG PRO 16 11.236 4.050 4.677
124 HG3 PRO 16 1HG PRO 16 12.809 3.572 4.019
125 HD2 PRO 16 2HD PRO 16 10.932 4.931 2.600
126 HD3 PRO 16 1HD PRO 16 12.135 3.860 1.850
127 H GLU 17 H GLU 17 8.446 3.791 3.143
128 HA GLU 17 HA GLU 17 6.866 2.787 5.443
129 HB2 GLU 17 2HB GLU 17 7.373 5.318 4.010
130 HB3 GLU 17 1HB GLU 17 5.701 5.110 4.528
131 HG2 GLU 17 2HG GLU 17 7.151 4.253 6.731
132 HG3 GLU 17 1HG GLU 17 8.093 5.621 6.137
133 H ARG 18 H ARG 18 6.866 2.685 2.024
134 HA ARG 18 HA ARG 18 3.924 2.191 1.875
135 HB2 ARG 18 2HB ARG 18 6.034 3.290 0.167
136 HB3 ARG 18 1HB ARG 18 5.038 2.105 -0.678
137 HG2 ARG 18 2HG ARG 18 3.086 3.480 0.560
138 HG3 ARG 18 1HG ARG 18 4.289 4.765 0.430
139 HD2 ARG 18 2HD ARG 18 3.538 3.041 -1.945
140 HD3 ARG 18 1HD ARG 18 2.687 4.551 -1.562
141 HE ARG 18 HE ARG 18 5.532 4.977 -1.479
142 HH11 ARG 18 1HH2 ARG 18 3.601 3.683 -3.918
143 HH12 ARG 18 2HH2 ARG 18 3.985 4.889 -5.099
144 HH21 ARG 18 1HH1 ARG 18 5.730 6.893 -2.871
145 HH22 ARG 18 2HH1 ARG 18 5.190 6.708 -4.506
146 H HIS 19 H HIS 19 7.067 0.755 0.938
147 HA HIS 19 HA HIS 19 6.073 -1.687 -0.142
148 HB2 HIS 19 2HB HIS 19 8.556 -0.452 0.660
149 HB3 HIS 19 1HB HIS 19 8.545 -2.138 1.177
150 HD1 HIS 19 1HD HIS 19 7.139 -3.574 -1.030
151 HD2 HIS 19 2HD HIS 19 9.801 -0.460 -1.802
152 HE1 HIS 19 1HE HIS 19 7.923 -3.878 -3.420
153 H GLU 20 H GLU 20 6.809 -0.731 3.198
154 HA GLU 20 HA GLU 20 6.426 -3.393 4.315
155 HB2 GLU 20 2HB GLU 20 7.726 -1.263 5.144
156 HB3 GLU 20 1HB GLU 20 6.165 -0.806 5.828
157 HG2 GLU 20 2HG GLU 20 6.066 -2.799 7.159
158 HG3 GLU 20 1HG GLU 20 7.442 -3.506 6.312
159 H CYS 21 H CYS 21 4.291 -0.910 3.265
160 HA CYS 21 HA CYS 21 2.114 -1.345 5.115
161 HB2 CYS 21 2HB CYS 21 2.310 0.682 3.809
162 HB3 CYS 21 1HB CYS 21 2.323 -0.235 2.302
163 H CYS 22 H CYS 22 2.732 -2.540 1.788
164 HA CYS 22 HA CYS 22 0.369 -4.236 1.765
165 HB2 CYS 22 2HB CYS 22 2.882 -4.097 0.068
166 HB3 CYS 22 1HB CYS 22 1.461 -5.059 -0.341
167 H ARG 23 H ARG 23 3.665 -4.602 2.858
168 HA ARG 23 HA ARG 23 3.507 -7.556 2.928
169 HB2 ARG 23 2HB ARG 23 5.509 -5.424 3.088
170 HB3 ARG 23 1HB ARG 23 5.785 -6.695 4.279
171 HG2 ARG 23 2HG ARG 23 5.188 -8.191 2.082
172 HG3 ARG 23 1HG ARG 23 5.975 -6.804 1.329
173 HD2 ARG 23 2HD ARG 23 7.969 -7.113 2.664
174 HD3 ARG 23 1HD ARG 23 7.171 -8.355 3.652
175 HE ARG 23 HE ARG 23 6.958 -9.124 0.917
176 HH11 ARG 23 1HH1 ARG 23 8.067 -10.735 3.289
177 HH12 ARG 23 2HH1 ARG 23 9.680 -11.046 2.739
178 HH21 ARG 23 1HH2 ARG 23 9.578 -8.643 0.243
179 HH22 ARG 23 2HH2 ARG 23 10.534 -9.862 1.015
180 H ALA 24 H ALA 24 2.907 -4.844 5.012
181 HA ALA 24 HA ALA 24 3.168 -6.401 7.505
182 HB1 ALA 24 3HB ALA 24 2.314 -4.182 8.434
183 HB2 ALA 24 1HB ALA 24 2.312 -3.589 6.772
184 HB3 ALA 24 2HB ALA 24 3.825 -4.090 7.527
185 H HIS 25 H HIS 25 0.666 -5.479 5.235
186 HA HIS 25 HA HIS 25 -1.479 -6.291 7.137
187 HB2 HIS 25 2HB HIS 25 -1.162 -4.558 4.788
188 HB3 HIS 25 1HB HIS 25 -2.627 -5.537 4.729
189 HD1 HIS 25 1HD HIS 25 -0.864 -3.019 6.950
190 HD2 HIS 25 2HD HIS 25 -4.634 -4.747 6.516
191 HE1 HIS 25 1HE HIS 25 -2.412 -1.765 8.514
192 H GLY 26 H GLY 26 0.219 -8.402 6.233
193 HA2 GLY 26 2HA GLY 26 0.165 -10.467 5.103
194 HA3 GLY 26 1HA GLY 26 -1.565 -10.388 5.439
195 H ARG 27 H ARG 27 0.311 -8.208 3.360
196 HA ARG 27 HA ARG 27 -1.348 -9.158 1.044
197 HB2 ARG 27 2HB ARG 27 -1.301 -6.692 2.315
198 HB3 ARG 27 1HB ARG 27 -0.240 -6.442 0.928
199 HG2 ARG 27 2HG ARG 27 -2.507 -5.916 0.249
200 HG3 ARG 27 1HG ARG 27 -2.032 -7.423 -0.536
201 HD2 ARG 27 2HD ARG 27 -3.199 -7.942 2.081
202 HD3 ARG 27 1HD ARG 27 -4.321 -7.048 1.034
203 HE ARG 27 HE ARG 27 -2.965 -9.180 -0.399
204 HH11 ARG 27 1HH1 ARG 27 -5.868 -8.253 -0.656
205 HH12 ARG 27 2HH1 ARG 27 -6.711 -9.649 -0.073
206 HH21 ARG 27 1HH2 ARG 27 -3.905 -11.059 1.396
207 HH22 ARG 27 2HH2 ARG 27 -5.601 -11.236 1.090
208 H SER 28 H SER 28 -0.151 -8.252 -1.087
209 HA SER 28 HA SER 28 2.469 -9.561 -1.139
210 HB2 SER 28 2HB SER 28 1.424 -7.937 -3.410
211 HB3 SER 28 1HB SER 28 2.099 -9.563 -3.417
212 HG SER 28 HG SER 28 -0.245 -9.354 -3.764
213 H GLY 29 H GLY 29 3.295 -7.527 -3.284
214 HA2 GLY 29 2HA GLY 29 4.669 -5.696 -1.405
215 HA3 GLY 29 1HA GLY 29 5.089 -5.937 -3.102
216 H TYR 30 H TYR 30 5.016 -3.389 -2.615
217 HA TYR 30 HA TYR 30 2.362 -2.185 -2.676
218 HB2 TYR 30 2HB TYR 30 3.567 -0.192 -2.497
219 HB3 TYR 30 1HB TYR 30 4.719 -1.341 -1.824
220 HD1 TYR 30 1HD TYR 30 6.159 -2.589 -3.815
221 HD2 TYR 30 2HD TYR 30 4.446 1.347 -3.991
222 HE1 TYR 30 1HE TYR 30 7.797 -1.955 -5.561
223 HE2 TYR 30 2HE TYR 30 6.087 1.980 -5.740
224 HH TYR 30 HH TYR 30 8.039 1.362 -6.738
225 H ALA 31 H ALA 31 1.201 -1.551 -4.495
226 HA ALA 31 HA ALA 31 2.378 -2.267 -7.153
227 HB1 ALA 31 3HB ALA 31 0.307 -3.072 -7.616
228 HB2 ALA 31 1HB ALA 31 -0.472 -1.611 -7.011
229 HB3 ALA 31 2HB ALA 31 -0.020 -2.898 -5.891
230 H TYR 32 H TYR 32 -0.064 0.060 -5.980
231 HA TYR 32 HA TYR 32 1.339 2.415 -6.881
232 HB2 TYR 32 2HB TYR 32 -0.292 2.671 -8.904
233 HB3 TYR 32 1HB TYR 32 1.077 1.573 -9.079
234 HD1 TYR 32 2HD TYR 32 -2.519 1.646 -8.043
235 HD2 TYR 32 1HD TYR 32 0.715 -0.706 -9.616
236 HE1 TYR 32 2HE TYR 32 -4.087 -0.223 -8.465
237 HE2 TYR 32 1HE TYR 32 -0.856 -2.575 -10.034
238 HH TYR 32 HH TYR 32 -2.972 -3.241 -9.999
239 H CYS 33 H CYS 33 0.044 4.329 -6.507
240 HA CYS 33 HA CYS 33 -2.351 3.831 -4.814
241 HB2 CYS 33 2HB CYS 33 -0.151 5.688 -4.942
242 HB3 CYS 33 1HB CYS 33 -1.669 6.583 -4.994
243 H SER 34 H SER 34 -4.243 3.773 -5.967
244 HA SER 34 HA SER 34 -4.549 5.637 -8.294
245 HB2 SER 34 2HB SER 34 -5.329 3.797 -9.348
246 HB3 SER 34 1HB SER 34 -4.954 2.854 -7.908
247 HG SER 34 HG SER 34 -7.077 2.593 -8.033
248 H GLY 35 H GLY 35 -6.257 7.094 -8.276
249 HA2 GLY 35 2HA GLY 35 -7.849 8.495 -7.243
250 HA3 GLY 35 1HA GLY 35 -8.700 6.972 -6.983
251 H GLY 36 H GLY 36 -9.493 7.629 -4.922
252 HA2 GLY 36 2HA GLY 36 -7.573 8.404 -2.833
253 HA3 GLY 36 1HA GLY 36 -9.318 8.237 -2.628
254 H GLY 37 H GLY 37 -6.931 5.896 -3.860
255 HA2 GLY 37 2HA GLY 37 -7.063 4.268 -1.447
256 HA3 GLY 37 1HA GLY 37 -7.984 3.583 -2.788
257 H MET 38 H MET 38 -5.526 2.519 -1.550
258 HA MET 38 HA MET 38 -3.649 2.729 -3.882
259 HB2 MET 38 2HB MET 38 -3.053 3.460 -1.455
260 HB3 MET 38 1HB MET 38 -2.983 1.730 -1.116
261 HG2 MET 38 2HG MET 38 -1.525 2.761 -3.517
262 HG3 MET 38 1HG MET 38 -0.821 3.048 -1.926
263 HE1 MET 38 3HE MET 38 0.726 0.940 -0.696
264 HE2 MET 38 1HE MET 38 1.035 2.074 -2.018
265 HE3 MET 38 2HE MET 38 1.471 0.376 -2.189
266 H TYR 39 H TYR 39 -2.486 0.675 -4.388
267 HA TYR 39 HA TYR 39 -3.999 -1.784 -3.597
268 HB2 TYR 39 2HB TYR 39 -3.113 -0.933 -6.374
269 HB3 TYR 39 1HB TYR 39 -3.931 -2.446 -5.981
270 HD1 TYR 39 2HD TYR 39 -4.297 1.264 -5.843
271 HD2 TYR 39 1HD TYR 39 -6.287 -2.542 -5.773
272 HE1 TYR 39 2HE TYR 39 -6.491 2.409 -5.985
273 HE2 TYR 39 1HE TYR 39 -8.481 -1.398 -5.915
274 HH TYR 39 HH TYR 39 -9.070 1.321 -6.968
275 H CYS 40 H CYS 40 -2.707 -3.733 -3.711
276 HA CYS 40 HA CYS 40 0.249 -3.183 -3.746
277 HB2 CYS 40 2HB CYS 40 -1.389 -5.290 -2.297
278 HB3 CYS 40 1HB CYS 40 0.357 -5.082 -2.156
279 H ASN 41 H ASN 41 1.560 -4.521 -5.011
280 HA ASN 41 HA ASN 41 0.732 -5.722 -7.350
281 HB2 ASN 41 2HB ASN 41 3.052 -5.549 -5.783
282 HB3 ASN 41 1HB ASN 41 2.829 -7.278 -6.061
283 HD21 ASN 41 1HD2 ASN 41 4.999 -6.428 -7.354
284 HD22 ASN 41 2HD2 ASN 41 4.718 -6.141 -9.003
Start of MODEL 14
1 H1 ALA 1 1HT ALA 1 -3.982 -8.161 -9.106
2 H2 ALA 1 2HT ALA 1 -4.789 -8.750 -7.732
3 H3 ALA 1 3HT ALA 1 -3.103 -8.540 -7.706
4 HA ALA 1 HA ALA 1 -3.228 -6.316 -7.343
5 HB1 ALA 1 3HB ALA 1 -4.301 -6.215 -9.644
6 HB2 ALA 1 1HB ALA 1 -4.833 -4.956 -8.530
7 HB3 ALA 1 2HB ALA 1 -5.864 -6.353 -8.840
8 H VAL 2 H VAL 2 -3.968 -5.393 -5.429
9 HA VAL 2 HA VAL 2 -6.597 -6.289 -4.338
10 HB VAL 2 HB VAL 2 -5.311 -6.603 -2.128
11 HG11 VAL 2 1HG1 VAL 2 -5.223 -8.841 -2.580
12 HG12 VAL 2 2HG1 VAL 2 -4.254 -8.613 -4.035
13 HG13 VAL 2 3HG1 VAL 2 -5.997 -8.353 -4.087
14 HG21 VAL 2 3HG2 VAL 2 -2.859 -7.303 -3.524
15 HG22 VAL 2 1HG2 VAL 2 -3.076 -6.285 -2.100
16 HG23 VAL 2 2HG2 VAL 2 -3.226 -5.590 -3.712
17 H ARG 3 H ARG 3 -6.425 -5.037 -1.873
18 HA ARG 3 HA ARG 3 -5.620 -2.220 -2.368
19 HB2 ARG 3 2HB ARG 3 -7.783 -2.052 -3.144
20 HB3 ARG 3 1HB ARG 3 -8.341 -3.426 -2.207
21 HG2 ARG 3 2HG ARG 3 -9.300 -1.253 -1.417
22 HG3 ARG 3 1HG ARG 3 -8.382 -2.098 -0.172
23 HD2 ARG 3 2HD ARG 3 -6.372 -0.661 -0.879
24 HD3 ARG 3 1HD ARG 3 -7.540 0.326 -1.780
25 HE ARG 3 HE ARG 3 -7.583 -0.089 1.181
26 HH11 ARG 3 1HH1 ARG 3 -9.273 0.996 -1.584
27 HH12 ARG 3 2HH1 ARG 3 -9.909 2.414 -0.820
28 HH21 ARG 3 1HH2 ARG 3 -8.156 1.934 2.133
29 HH22 ARG 3 2HH2 ARG 3 -9.278 2.945 1.285
30 H ILE 4 H ILE 4 -4.488 -1.672 -0.555
31 HA ILE 4 HA ILE 4 -5.153 -2.980 2.042
32 HB ILE 4 HB ILE 4 -2.779 -1.536 0.859
33 HG12 ILE 4 2HG1 ILE 4 -3.100 -3.977 0.450
34 HG13 ILE 4 1HG1 ILE 4 -1.644 -3.637 1.387
35 HG21 ILE 4 1HG2 ILE 4 -1.758 -2.068 3.202
36 HG22 ILE 4 2HG2 ILE 4 -3.434 -2.070 3.749
37 HG23 ILE 4 3HG2 ILE 4 -2.747 -0.619 3.021
38 HD11 ILE 4 3HD1 ILE 4 -3.666 -3.887 3.305
39 HD12 ILE 4 1HD1 ILE 4 -2.418 -5.078 2.936
40 HD13 ILE 4 2HD1 ILE 4 -3.992 -5.175 2.145
41 H GLY 5 H GLY 5 -5.227 -1.552 3.975
42 HA2 GLY 5 2HA GLY 5 -6.749 0.880 3.420
43 HA3 GLY 5 1HA GLY 5 -6.390 0.228 5.013
44 HA PRO 6 HA PRO 6 -3.162 3.118 5.507
45 HB2 PRO 6 2HB PRO 6 -1.091 1.702 6.574
46 HB3 PRO 6 1HB PRO 6 -2.567 2.108 7.461
47 HG2 PRO 6 2HG PRO 6 -1.736 -0.458 6.240
48 HG3 PRO 6 1HG PRO 6 -2.719 -0.162 7.679
49 HD2 PRO 6 2HD PRO 6 -3.700 -0.902 5.188
50 HD3 PRO 6 1HD PRO 6 -4.652 -0.160 6.492
51 H CYS 7 H CYS 7 -3.016 1.374 2.876
52 HA CYS 7 HA CYS 7 -0.119 1.686 2.297
53 HB2 CYS 7 2HB CYS 7 -2.470 0.237 1.235
54 HB3 CYS 7 1HB CYS 7 -1.313 0.765 0.022
55 H ASP 8 H ASP 8 -3.262 3.063 1.671
56 HA ASP 8 HA ASP 8 -2.252 4.948 -0.378
57 HB2 ASP 8 2HB ASP 8 -4.473 4.184 -0.745
58 HB3 ASP 8 1HB ASP 8 -4.889 4.312 0.964
59 H GLN 9 H GLN 9 -3.090 4.735 3.022
60 HA GLN 9 HA GLN 9 -2.959 7.583 3.599
61 HB2 GLN 9 2HB GLN 9 -3.787 5.231 4.846
62 HB3 GLN 9 1HB GLN 9 -2.362 5.706 5.773
63 HG2 GLN 9 2HG GLN 9 -4.373 7.813 5.077
64 HG3 GLN 9 1HG GLN 9 -4.756 6.682 6.376
65 HE21 GLN 9 1HE2 GLN 9 -4.387 7.960 8.235
66 HE22 GLN 9 2HE2 GLN 9 -2.914 8.731 8.576
67 H VAL 10 H VAL 10 -0.731 4.794 4.008
68 HA VAL 10 HA VAL 10 1.471 6.659 4.744
69 HB VAL 10 HB VAL 10 0.856 4.297 5.723
70 HG11 VAL 10 1HG1 VAL 10 2.713 3.378 3.536
71 HG12 VAL 10 2HG1 VAL 10 0.967 3.362 3.293
72 HG13 VAL 10 3HG1 VAL 10 1.685 2.409 4.593
73 HG21 VAL 10 3HG2 VAL 10 3.563 5.409 5.054
74 HG22 VAL 10 1HG2 VAL 10 3.453 3.838 5.846
75 HG23 VAL 10 2HG2 VAL 10 2.774 5.267 6.625
76 H CYS 11 H CYS 11 0.071 6.063 1.942
77 HA CYS 11 HA CYS 11 2.067 5.047 0.168
78 HB2 CYS 11 2HB CYS 11 -0.524 5.618 -0.003
79 HB3 CYS 11 1HB CYS 11 0.089 7.139 -0.650
80 HA PRO 12 HA PRO 12 3.214 9.630 -0.574
81 HB2 PRO 12 2HB PRO 12 2.463 11.465 1.309
82 HB3 PRO 12 1HB PRO 12 1.458 11.045 -0.091
83 HG2 PRO 12 2HG PRO 12 1.211 10.194 2.737
84 HG3 PRO 12 1HG PRO 12 -0.048 10.512 1.537
85 HD2 PRO 12 2HD PRO 12 0.812 8.008 2.295
86 HD3 PRO 12 1HD PRO 12 -0.018 8.373 0.767
87 H ARG 13 H ARG 13 3.677 7.723 2.083
88 HA ARG 13 HA ARG 13 5.624 9.387 3.519
89 HB2 ARG 13 2HB ARG 13 4.687 6.510 3.642
90 HB3 ARG 13 1HB ARG 13 5.950 7.134 4.704
91 HG2 ARG 13 2HG ARG 13 3.647 8.914 4.625
92 HG3 ARG 13 1HG ARG 13 3.197 7.291 5.151
93 HD2 ARG 13 2HD ARG 13 4.029 7.802 7.197
94 HD3 ARG 13 1HD ARG 13 5.641 7.898 6.461
95 HE ARG 13 HE ARG 13 4.893 10.312 5.816
96 HH11 ARG 13 1HH1 ARG 13 5.315 9.066 8.834
97 HH12 ARG 13 2HH1 ARG 13 4.377 10.251 9.680
98 HH21 ARG 13 1HH2 ARG 13 3.044 11.643 6.796
99 HH22 ARG 13 2HH2 ARG 13 3.091 11.711 8.527
100 H ILE 14 H ILE 14 7.854 8.177 3.914
101 HA ILE 14 HA ILE 14 9.407 8.259 1.577
102 HB ILE 14 HB ILE 14 11.052 6.988 2.989
103 HG12 ILE 14 2HG1 ILE 14 8.647 6.782 4.829
104 HG13 ILE 14 1HG1 ILE 14 9.512 5.441 4.077
105 HG21 ILE 14 1HG2 ILE 14 11.463 8.906 4.108
106 HG22 ILE 14 2HG2 ILE 14 9.929 8.823 4.973
107 HG23 ILE 14 3HG2 ILE 14 9.992 9.521 3.355
108 HD11 ILE 14 3HD1 ILE 14 10.263 5.689 6.386
109 HD12 ILE 14 1HD1 ILE 14 10.635 7.390 6.110
110 HD13 ILE 14 2HD1 ILE 14 11.574 6.139 5.296
111 H VAL 15 H VAL 15 10.864 5.981 1.297
112 HA VAL 15 HA VAL 15 9.118 4.278 -0.290
113 HB VAL 15 HB VAL 15 12.043 4.280 0.472
114 HG11 VAL 15 1HG1 VAL 15 12.320 2.488 -1.223
115 HG12 VAL 15 2HG1 VAL 15 10.568 2.395 -1.395
116 HG13 VAL 15 3HG1 VAL 15 11.328 1.949 0.133
117 HG21 VAL 15 3HG2 VAL 15 10.388 5.086 -1.910
118 HG22 VAL 15 1HG2 VAL 15 12.077 4.631 -2.129
119 HG23 VAL 15 2HG2 VAL 15 11.658 5.991 -1.086
120 HA PRO 16 HA PRO 16 10.311 1.020 3.036
121 HB2 PRO 16 2HB PRO 16 11.087 1.973 5.490
122 HB3 PRO 16 1HB PRO 16 12.232 1.570 4.194
123 HG2 PRO 16 2HG PRO 16 11.172 4.227 5.024
124 HG3 PRO 16 1HG PRO 16 12.811 3.770 4.530
125 HD2 PRO 16 2HD PRO 16 11.085 5.036 2.883
126 HD3 PRO 16 1HD PRO 16 12.316 3.903 2.287
127 H GLU 17 H GLU 17 8.563 3.904 3.409
128 HA GLU 17 HA GLU 17 6.804 2.841 5.554
129 HB2 GLU 17 2HB GLU 17 7.472 5.428 4.291
130 HB3 GLU 17 1HB GLU 17 5.765 5.236 4.692
131 HG2 GLU 17 2HG GLU 17 8.023 4.704 6.642
132 HG3 GLU 17 1HG GLU 17 7.140 6.230 6.554
133 H ARG 18 H ARG 18 7.053 3.014 2.129
134 HA ARG 18 HA ARG 18 4.139 2.686 1.673
135 HB2 ARG 18 2HB ARG 18 6.543 3.498 0.203
136 HB3 ARG 18 1HB ARG 18 5.513 2.410 -0.730
137 HG2 ARG 18 2HG ARG 18 3.602 4.010 0.232
138 HG3 ARG 18 1HG ARG 18 4.939 5.157 0.283
139 HD2 ARG 18 2HD ARG 18 4.936 3.673 -2.222
140 HD3 ARG 18 1HD ARG 18 3.408 4.539 -1.973
141 HE ARG 18 HE ARG 18 5.379 6.350 -1.195
142 HH11 ARG 18 1HH1 ARG 18 4.358 4.646 -4.012
143 HH12 ARG 18 2HH1 ARG 18 5.133 5.735 -5.113
144 HH21 ARG 18 1HH2 ARG 18 6.497 7.716 -2.615
145 HH22 ARG 18 2HH2 ARG 18 6.343 7.472 -4.324
146 H HIS 19 H HIS 19 7.187 0.927 0.967
147 HA HIS 19 HA HIS 19 5.931 -1.463 -0.012
148 HB2 HIS 19 2HB HIS 19 8.590 -0.523 0.924
149 HB3 HIS 19 1HB HIS 19 8.341 -2.269 0.955
150 HD1 HIS 19 1HD HIS 19 6.555 -2.569 -1.550
151 HD2 HIS 19 2HD HIS 19 10.027 -0.265 -1.448
152 HE1 HIS 19 1HE HIS 19 7.346 -2.360 -3.946
153 H GLU 20 H GLU 20 6.424 -0.213 3.193
154 HA GLU 20 HA GLU 20 6.095 -2.838 4.505
155 HB2 GLU 20 2HB GLU 20 7.633 -1.190 5.423
156 HB3 GLU 20 1HB GLU 20 6.352 0.022 5.483
157 HG2 GLU 20 2HG GLU 20 5.452 -0.840 7.388
158 HG3 GLU 20 1HG GLU 20 5.720 -2.506 6.874
159 H CYS 21 H CYS 21 4.046 -0.415 3.243
160 HA CYS 21 HA CYS 21 1.919 -0.544 5.205
161 HB2 CYS 21 2HB CYS 21 0.800 0.854 3.672
162 HB3 CYS 21 1HB CYS 21 2.496 1.197 3.359
163 H CYS 22 H CYS 22 2.639 -2.281 2.197
164 HA CYS 22 HA CYS 22 0.143 -3.825 2.281
165 HB2 CYS 22 2HB CYS 22 2.430 -3.335 0.520
166 HB3 CYS 22 1HB CYS 22 1.937 -5.029 0.521
167 H ARG 23 H ARG 23 3.556 -4.326 3.126
168 HA ARG 23 HA ARG 23 3.291 -7.168 3.668
169 HB2 ARG 23 2HB ARG 23 5.286 -4.972 4.035
170 HB3 ARG 23 1HB ARG 23 5.514 -6.446 4.977
171 HG2 ARG 23 2HG ARG 23 5.915 -7.743 3.111
172 HG3 ARG 23 1HG ARG 23 4.894 -6.748 2.072
173 HD2 ARG 23 2HD ARG 23 6.576 -5.112 1.777
174 HD3 ARG 23 1HD ARG 23 7.486 -5.669 3.195
175 HE ARG 23 HE ARG 23 7.156 -7.392 0.767
176 HH11 ARG 23 1HH2 ARG 23 9.532 -5.440 1.143
177 HH12 ARG 23 2HH2 ARG 23 10.744 -6.536 1.719
178 HH21 ARG 23 1HH1 ARG 23 8.485 -9.064 2.452
179 HH22 ARG 23 2HH1 ARG 23 10.150 -8.587 2.461
180 H ALA 24 H ALA 24 2.923 -4.216 5.570
181 HA ALA 24 HA ALA 24 3.002 -5.406 8.183
182 HB1 ALA 24 3HB ALA 24 1.806 -2.917 6.956
183 HB2 ALA 24 1HB ALA 24 3.239 -3.053 7.976
184 HB3 ALA 24 2HB ALA 24 1.634 -3.260 8.677
185 H HIS 25 H HIS 25 0.565 -5.350 5.691
186 HA HIS 25 HA HIS 25 -1.463 -6.409 7.629
187 HB2 HIS 25 2HB HIS 25 -1.619 -4.955 4.978
188 HB3 HIS 25 1HB HIS 25 -3.026 -5.725 5.712
189 HD1 HIS 25 1HD HIS 25 -0.262 -3.379 6.939
190 HD2 HIS 25 2HD HIS 25 -4.382 -3.919 7.284
191 HE1 HIS 25 1HE HIS 25 -1.107 -1.512 8.427
192 H GLY 26 H GLY 26 0.808 -7.616 5.670
193 HA2 GLY 26 2HA GLY 26 1.056 -9.735 4.681
194 HA3 GLY 26 1HA GLY 26 -0.552 -10.137 5.287
195 H ARG 27 H ARG 27 1.170 -8.523 2.645
196 HA ARG 27 HA ARG 27 -1.220 -9.038 0.913
197 HB2 ARG 27 2HB ARG 27 -0.448 -6.581 1.849
198 HB3 ARG 27 1HB ARG 27 0.432 -6.656 0.323
199 HG2 ARG 27 2HG ARG 27 -1.852 -5.664 0.078
200 HG3 ARG 27 1HG ARG 27 -1.625 -7.119 -0.895
201 HD2 ARG 27 2HD ARG 27 -2.976 -8.428 0.513
202 HD3 ARG 27 1HD ARG 27 -2.769 -7.327 1.890
203 HE ARG 27 HE ARG 27 -3.999 -5.654 0.212
204 HH11 ARG 27 1HH1 ARG 27 -4.448 -8.807 -0.698
205 HH12 ARG 27 2HH1 ARG 27 -6.166 -8.834 -0.478
206 HH21 ARG 27 1HH2 ARG 27 -6.275 -5.761 1.124
207 HH22 ARG 27 2HH2 ARG 27 -7.201 -7.109 0.553
208 H SER 28 H SER 28 0.372 -7.652 -1.267
209 HA SER 28 HA SER 28 2.231 -9.932 -1.851
210 HB2 SER 28 2HB SER 28 1.733 -8.962 -4.258
211 HB3 SER 28 1HB SER 28 0.535 -9.973 -3.456
212 HG SER 28 HG SER 28 -0.717 -8.282 -3.195
213 H GLY 29 H GLY 29 1.907 -6.672 -3.264
214 HA2 GLY 29 2HA GLY 29 4.386 -5.696 -2.121
215 HA3 GLY 29 1HA GLY 29 4.602 -6.218 -3.792
216 H TYR 30 H TYR 30 4.465 -3.472 -2.353
217 HA TYR 30 HA TYR 30 2.287 -1.907 -2.996
218 HB2 TYR 30 2HB TYR 30 4.187 -0.930 -1.959
219 HB3 TYR 30 1HB TYR 30 5.265 -1.461 -3.250
220 HD1 TYR 30 1HD TYR 30 5.026 -0.431 -5.555
221 HD2 TYR 30 2HD TYR 30 3.043 1.151 -2.090
222 HE1 TYR 30 1HE TYR 30 4.668 1.718 -6.741
223 HE2 TYR 30 2HE TYR 30 2.683 3.298 -3.275
224 HH TYR 30 HH TYR 30 4.282 4.097 -6.155
225 H ALA 31 H ALA 31 1.131 -1.682 -4.869
226 HA ALA 31 HA ALA 31 2.452 -2.327 -7.470
227 HB1 ALA 31 3HB ALA 31 0.368 -3.045 -8.115
228 HB2 ALA 31 1HB ALA 31 -0.449 -1.727 -7.276
229 HB3 ALA 31 2HB ALA 31 0.101 -3.139 -6.374
230 H TYR 32 H TYR 32 -0.010 -0.015 -6.309
231 HA TYR 32 HA TYR 32 1.364 2.338 -7.263
232 HB2 TYR 32 2HB TYR 32 -0.271 2.581 -9.258
233 HB3 TYR 32 1HB TYR 32 1.041 1.416 -9.438
234 HD1 TYR 32 1HD TYR 32 -2.571 1.804 -8.719
235 HD2 TYR 32 2HD TYR 32 0.610 -0.977 -9.502
236 HE1 TYR 32 1HE TYR 32 -4.234 -0.001 -9.044
237 HE2 TYR 32 2HE TYR 32 -1.057 -2.781 -9.828
238 HH TYR 32 HH TYR 32 -3.327 -3.128 -10.289
239 H CYS 33 H CYS 33 0.326 4.083 -6.296
240 HA CYS 33 HA CYS 33 -2.164 3.622 -4.820
241 HB2 CYS 33 2HB CYS 33 0.064 5.446 -4.875
242 HB3 CYS 33 1HB CYS 33 -1.436 6.370 -4.901
243 H SER 34 H SER 34 -4.053 3.628 -5.981
244 HA SER 34 HA SER 34 -4.304 5.227 -8.450
245 HB2 SER 34 2HB SER 34 -6.170 3.851 -8.831
246 HB3 SER 34 1HB SER 34 -5.125 2.801 -7.878
247 HG SER 34 HG SER 34 -7.577 3.731 -7.311
248 H GLY 35 H GLY 35 -4.070 6.625 -5.822
249 HA2 GLY 35 2HA GLY 35 -5.067 8.457 -4.750
250 HA3 GLY 35 1HA GLY 35 -6.061 8.627 -6.199
251 H GLY 36 H GLY 36 -6.382 8.330 -2.997
252 HA2 GLY 36 2HA GLY 36 -8.450 7.997 -1.842
253 HA3 GLY 36 1HA GLY 36 -9.078 7.157 -3.261
254 H GLY 37 H GLY 37 -6.730 5.400 -3.504
255 HA2 GLY 37 2HA GLY 37 -6.447 3.927 -1.017
256 HA3 GLY 37 1HA GLY 37 -7.563 3.134 -2.130
257 H MET 38 H MET 38 -4.773 2.396 -1.198
258 HA MET 38 HA MET 38 -3.223 2.534 -3.724
259 HB2 MET 38 2HB MET 38 -1.990 2.966 -1.730
260 HB3 MET 38 1HB MET 38 -2.721 1.595 -0.893
261 HG2 MET 38 2HG MET 38 -1.404 0.037 -1.998
262 HG3 MET 38 1HG MET 38 -1.177 1.075 -3.405
263 HE1 MET 38 3HE MET 38 1.294 -0.439 -2.400
264 HE2 MET 38 1HE MET 38 0.451 -0.632 -0.858
265 HE3 MET 38 2HE MET 38 2.049 0.108 -0.904
266 H TYR 39 H TYR 39 -2.492 0.572 -4.779
267 HA TYR 39 HA TYR 39 -4.158 -1.838 -4.136
268 HB2 TYR 39 2HB TYR 39 -3.322 -0.591 -6.769
269 HB3 TYR 39 1HB TYR 39 -4.064 -2.189 -6.650
270 HD1 TYR 39 2HD TYR 39 -4.603 1.299 -5.362
271 HD2 TYR 39 1HD TYR 39 -6.378 -2.324 -6.836
272 HE1 TYR 39 2HE TYR 39 -6.849 2.339 -5.218
273 HE2 TYR 39 1HE TYR 39 -8.624 -1.282 -6.693
274 HH TYR 39 HH TYR 39 -9.194 1.842 -6.561
275 H CYS 40 H CYS 40 -3.042 -3.766 -3.992
276 HA CYS 40 HA CYS 40 -0.087 -3.650 -4.496
277 HB2 CYS 40 2HB CYS 40 -1.696 -4.397 -2.288
278 HB3 CYS 40 1HB CYS 40 -0.983 -5.886 -2.907
279 H ASN 41 H ASN 41 0.677 -4.906 -6.145
280 HA ASN 41 HA ASN 41 -0.871 -6.400 -7.940
281 HB2 ASN 41 2HB ASN 41 1.947 -6.061 -7.194
282 HB3 ASN 41 1HB ASN 41 1.614 -7.638 -7.911
283 HD21 ASN 41 1HD2 ASN 41 3.178 -5.898 -9.412
284 HD22 ASN 41 2HD2 ASN 41 2.288 -5.289 -10.722
Start of MODEL 15
1 H1 ALA 1 1HT ALA 1 -3.825 -9.050 -7.066
2 H2 ALA 1 2HT ALA 1 -2.526 -8.150 -6.443
3 H3 ALA 1 3HT ALA 1 -2.692 -8.357 -8.121
4 HA ALA 1 HA ALA 1 -3.397 -6.119 -7.352
5 HB1 ALA 1 3HB ALA 1 -5.455 -8.017 -8.529
6 HB2 ALA 1 1HB ALA 1 -4.175 -7.203 -9.427
7 HB3 ALA 1 2HB ALA 1 -5.479 -6.262 -8.702
8 H VAL 2 H VAL 2 -3.815 -5.528 -5.216
9 HA VAL 2 HA VAL 2 -6.482 -6.310 -4.127
10 HB VAL 2 HB VAL 2 -5.214 -6.550 -1.883
11 HG11 VAL 2 1HG1 VAL 2 -4.434 -8.889 -2.545
12 HG12 VAL 2 2HG1 VAL 2 -4.901 -8.475 -4.194
13 HG13 VAL 2 3HG1 VAL 2 -6.115 -8.507 -2.916
14 HG21 VAL 2 3HG2 VAL 2 -2.916 -6.649 -1.868
15 HG22 VAL 2 1HG2 VAL 2 -3.110 -5.554 -3.237
16 HG23 VAL 2 2HG2 VAL 2 -2.829 -7.272 -3.515
17 H ARG 3 H ARG 3 -6.109 -4.958 -1.641
18 HA ARG 3 HA ARG 3 -5.389 -2.161 -2.357
19 HB2 ARG 3 2HB ARG 3 -7.621 -2.081 -2.946
20 HB3 ARG 3 1HB ARG 3 -8.068 -3.381 -1.856
21 HG2 ARG 3 2HG ARG 3 -8.968 -1.151 -1.149
22 HG3 ARG 3 1HG ARG 3 -7.934 -1.902 0.064
23 HD2 ARG 3 2HD ARG 3 -6.007 -0.529 -0.921
24 HD3 ARG 3 1HD ARG 3 -7.249 0.385 -1.799
25 HE ARG 3 HE ARG 3 -7.267 0.093 1.187
26 HH11 ARG 3 1HH1 ARG 3 -9.438 1.229 -0.870
27 HH12 ARG 3 2HH1 ARG 3 -9.303 2.912 -0.479
28 HH21 ARG 3 1HH2 ARG 3 -6.367 2.527 1.326
29 HH22 ARG 3 2HH2 ARG 3 -7.564 3.646 0.764
30 H ILE 4 H ILE 4 -4.188 -1.404 -0.652
31 HA ILE 4 HA ILE 4 -4.497 -2.674 2.029
32 HB ILE 4 HB ILE 4 -2.417 -0.822 0.819
33 HG12 ILE 4 2HG1 ILE 4 -2.547 -3.123 -0.161
34 HG13 ILE 4 1HG1 ILE 4 -1.029 -2.826 0.687
35 HG21 ILE 4 1HG2 ILE 4 -2.709 -2.125 3.520
36 HG22 ILE 4 2HG2 ILE 4 -2.256 -0.464 3.138
37 HG23 ILE 4 3HG2 ILE 4 -1.107 -1.775 2.870
38 HD11 ILE 4 3HD1 ILE 4 -3.381 -4.488 1.565
39 HD12 ILE 4 1HD1 ILE 4 -2.254 -3.834 2.752
40 HD13 ILE 4 2HD1 ILE 4 -1.676 -4.934 1.499
41 H GLY 5 H GLY 5 -4.667 -1.249 3.921
42 HA2 GLY 5 2HA GLY 5 -6.391 1.056 3.391
43 HA3 GLY 5 1HA GLY 5 -5.974 0.422 4.978
44 HA PRO 6 HA PRO 6 -2.965 3.521 5.498
45 HB2 PRO 6 2HB PRO 6 -0.741 2.250 6.433
46 HB3 PRO 6 1HB PRO 6 -2.210 2.499 7.385
47 HG2 PRO 6 2HG PRO 6 -1.224 0.058 6.025
48 HG3 PRO 6 1HG PRO 6 -2.155 0.214 7.520
49 HD2 PRO 6 2HD PRO 6 -3.199 -0.518 5.060
50 HD3 PRO 6 1HD PRO 6 -4.143 0.123 6.420
51 H CYS 7 H CYS 7 -2.675 1.727 2.832
52 HA CYS 7 HA CYS 7 0.121 2.522 2.204
53 HB2 CYS 7 2HB CYS 7 -1.206 0.284 1.660
54 HB3 CYS 7 1HB CYS 7 -1.737 1.209 0.256
55 H ASP 8 H ASP 8 -3.168 3.456 1.765
56 HA ASP 8 HA ASP 8 -2.603 5.305 -0.473
57 HB2 ASP 8 2HB ASP 8 -4.753 4.274 -0.512
58 HB3 ASP 8 1HB ASP 8 -4.989 4.526 1.218
59 H GLN 9 H GLN 9 -2.748 5.182 2.988
60 HA GLN 9 HA GLN 9 -2.822 8.122 3.328
61 HB2 GLN 9 2HB GLN 9 -3.746 5.981 4.767
62 HB3 GLN 9 1HB GLN 9 -2.225 6.312 5.597
63 HG2 GLN 9 2HG GLN 9 -3.994 8.630 4.939
64 HG3 GLN 9 1HG GLN 9 -4.465 7.582 6.277
65 HE21 GLN 9 1HE2 GLN 9 -3.691 10.246 6.826
66 HE22 GLN 9 2HE2 GLN 9 -2.192 10.239 7.623
67 H VAL 10 H VAL 10 -0.594 5.362 3.907
68 HA VAL 10 HA VAL 10 1.619 7.255 4.509
69 HB VAL 10 HB VAL 10 0.982 4.926 5.592
70 HG11 VAL 10 1HG1 VAL 10 2.948 3.912 3.559
71 HG12 VAL 10 2HG1 VAL 10 1.229 3.924 3.166
72 HG13 VAL 10 3HG1 VAL 10 1.809 3.005 4.555
73 HG21 VAL 10 3HG2 VAL 10 3.834 5.660 4.859
74 HG22 VAL 10 1HG2 VAL 10 3.357 4.601 6.188
75 HG23 VAL 10 2HG2 VAL 10 2.925 6.311 6.223
76 H CYS 11 H CYS 11 0.217 6.549 1.748
77 HA CYS 11 HA CYS 11 2.185 5.397 0.028
78 HB2 CYS 11 2HB CYS 11 -0.421 6.280 -0.101
79 HB3 CYS 11 1HB CYS 11 0.418 7.465 -1.100
80 HA PRO 12 HA PRO 12 3.506 9.894 -0.901
81 HB2 PRO 12 2HB PRO 12 2.787 11.846 0.873
82 HB3 PRO 12 1HB PRO 12 1.790 11.389 -0.522
83 HG2 PRO 12 2HG PRO 12 1.463 10.703 2.341
84 HG3 PRO 12 1HG PRO 12 0.238 10.982 1.096
85 HD2 PRO 12 2HD PRO 12 1.031 8.504 2.023
86 HD3 PRO 12 1HD PRO 12 0.211 8.799 0.476
87 H ARG 13 H ARG 13 3.870 8.089 1.825
88 HA ARG 13 HA ARG 13 5.856 9.759 3.218
89 HB2 ARG 13 2HB ARG 13 4.838 6.917 3.514
90 HB3 ARG 13 1HB ARG 13 6.013 7.649 4.609
91 HG2 ARG 13 2HG ARG 13 3.481 9.142 4.051
92 HG3 ARG 13 1HG ARG 13 3.409 7.753 5.137
93 HD2 ARG 13 2HD ARG 13 5.715 9.401 5.771
94 HD3 ARG 13 1HD ARG 13 4.221 10.359 5.824
95 HE ARG 13 HE ARG 13 4.164 7.693 7.122
96 HH11 ARG 13 1HH2 ARG 13 5.854 9.897 8.500
97 HH12 ARG 13 2HH2 ARG 13 4.700 10.500 9.642
98 HH21 ARG 13 1HH1 ARG 13 1.986 8.997 8.093
99 HH22 ARG 13 2HH1 ARG 13 2.510 9.991 9.411
100 H ILE 14 H ILE 14 7.953 8.279 3.799
101 HA ILE 14 HA ILE 14 9.636 8.229 1.553
102 HB ILE 14 HB ILE 14 11.067 6.784 3.034
103 HG12 ILE 14 2HG1 ILE 14 8.556 6.821 4.742
104 HG13 ILE 14 1HG1 ILE 14 9.326 5.401 4.036
105 HG21 ILE 14 1HG2 ILE 14 11.010 9.240 3.278
106 HG22 ILE 14 2HG2 ILE 14 11.238 8.448 4.837
107 HG23 ILE 14 3HG2 ILE 14 9.657 9.094 4.399
108 HD11 ILE 14 3HD1 ILE 14 10.296 7.144 6.292
109 HD12 ILE 14 1HD1 ILE 14 11.434 6.175 5.354
110 HD13 ILE 14 2HD1 ILE 14 10.130 5.388 6.244
111 H VAL 15 H VAL 15 10.878 5.813 1.329
112 HA VAL 15 HA VAL 15 9.024 4.297 -0.346
113 HB VAL 15 HB VAL 15 11.939 4.092 0.420
114 HG11 VAL 15 1HG1 VAL 15 11.846 1.915 -0.184
115 HG12 VAL 15 2HG1 VAL 15 11.513 2.482 -1.820
116 HG13 VAL 15 3HG1 VAL 15 10.180 2.070 -0.741
117 HG21 VAL 15 3HG2 VAL 15 12.343 4.959 -1.740
118 HG22 VAL 15 1HG2 VAL 15 10.944 5.878 -1.187
119 HG23 VAL 15 2HG2 VAL 15 10.729 4.534 -2.310
120 HA PRO 16 HA PRO 16 9.946 0.939 2.952
121 HB2 PRO 16 2HB PRO 16 10.670 1.803 5.451
122 HB3 PRO 16 1HB PRO 16 11.844 1.383 4.189
123 HG2 PRO 16 2HG PRO 16 10.895 4.056 5.075
124 HG3 PRO 16 1HG PRO 16 12.511 3.540 4.571
125 HD2 PRO 16 2HD PRO 16 10.801 4.936 2.979
126 HD3 PRO 16 1HD PRO 16 12.057 3.850 2.349
127 H GLU 17 H GLU 17 8.349 3.928 3.413
128 HA GLU 17 HA GLU 17 6.528 3.038 5.533
129 HB2 GLU 17 2HB GLU 17 7.352 5.438 4.265
130 HB3 GLU 17 1HB GLU 17 5.622 5.282 3.956
131 HG2 GLU 17 2HG GLU 17 5.649 6.370 6.024
132 HG3 GLU 17 1HG GLU 17 5.490 4.679 6.500
133 H ARG 18 H ARG 18 6.692 2.969 2.048
134 HA ARG 18 HA ARG 18 3.815 2.289 1.767
135 HB2 ARG 18 2HB ARG 18 5.964 3.417 0.180
136 HB3 ARG 18 1HB ARG 18 5.209 2.075 -0.681
137 HG2 ARG 18 2HG ARG 18 2.983 3.091 -0.295
138 HG3 ARG 18 1HG ARG 18 3.756 4.448 0.527
139 HD2 ARG 18 2HD ARG 18 4.247 3.642 -2.366
140 HD3 ARG 18 1HD ARG 18 3.292 5.037 -1.828
141 HE ARG 18 HE ARG 18 5.666 5.404 -0.499
142 HH11 ARG 18 1HH1 ARG 18 4.439 5.887 -3.581
143 HH12 ARG 18 2HH1 ARG 18 5.968 6.206 -4.333
144 HH21 ARG 18 1HH2 ARG 18 7.827 5.319 -1.543
145 HH22 ARG 18 2HH2 ARG 18 7.884 5.884 -3.180
146 H HIS 19 H HIS 19 7.027 0.858 1.077
147 HA HIS 19 HA HIS 19 6.128 -1.662 0.105
148 HB2 HIS 19 2HB HIS 19 8.529 -0.323 0.788
149 HB3 HIS 19 1HB HIS 19 8.548 -1.848 1.674
150 HD1 HIS 19 1HD HIS 19 6.796 -3.340 -0.606
151 HD2 HIS 19 2HD HIS 19 10.383 -1.290 -1.152
152 HE1 HIS 19 1HE HIS 19 7.828 -4.258 -2.730
153 H GLU 20 H GLU 20 6.113 -0.333 3.306
154 HA GLU 20 HA GLU 20 5.970 -2.961 4.648
155 HB2 GLU 20 2HB GLU 20 6.998 -0.606 5.366
156 HB3 GLU 20 1HB GLU 20 5.359 -0.342 5.964
157 HG2 GLU 20 2HG GLU 20 6.727 -2.929 6.609
158 HG3 GLU 20 1HG GLU 20 7.175 -1.483 7.513
159 H CYS 21 H CYS 21 3.808 -0.535 3.382
160 HA CYS 21 HA CYS 21 1.490 -0.990 4.960
161 HB2 CYS 21 2HB CYS 21 0.418 0.229 3.243
162 HB3 CYS 21 1HB CYS 21 2.096 0.741 3.102
163 H CYS 22 H CYS 22 2.770 -2.733 2.149
164 HA CYS 22 HA CYS 22 0.474 -4.522 1.916
165 HB2 CYS 22 2HB CYS 22 3.274 -4.375 0.780
166 HB3 CYS 22 1HB CYS 22 2.179 -5.700 0.380
167 H ARG 23 H ARG 23 3.775 -4.777 3.258
168 HA ARG 23 HA ARG 23 3.630 -7.542 4.000
169 HB2 ARG 23 2HB ARG 23 5.288 -5.147 4.519
170 HB3 ARG 23 1HB ARG 23 5.364 -6.385 5.774
171 HG2 ARG 23 2HG ARG 23 5.531 -7.921 3.521
172 HG3 ARG 23 1HG ARG 23 6.364 -6.457 2.994
173 HD2 ARG 23 2HD ARG 23 7.219 -7.095 5.670
174 HD3 ARG 23 1HD ARG 23 7.417 -8.522 4.632
175 HE ARG 23 HE ARG 23 8.886 -7.253 3.213
176 HH11 ARG 23 1HH2 ARG 23 7.609 -4.630 3.100
177 HH12 ARG 23 2HH2 ARG 23 8.631 -3.638 4.088
178 HH21 ARG 23 1HH1 ARG 23 10.169 -6.322 5.655
179 HH22 ARG 23 2HH1 ARG 23 10.079 -4.597 5.535
180 H ALA 24 H ALA 24 2.308 -4.652 5.440
181 HA ALA 24 HA ALA 24 1.921 -5.826 8.102
182 HB1 ALA 24 3HB ALA 24 0.632 -3.382 6.859
183 HB2 ALA 24 1HB ALA 24 2.280 -3.375 7.485
184 HB3 ALA 24 2HB ALA 24 0.926 -3.687 8.572
185 H HIS 25 H HIS 25 0.164 -5.685 5.090
186 HA HIS 25 HA HIS 25 -2.301 -6.711 6.451
187 HB2 HIS 25 2HB HIS 25 -1.689 -5.132 3.971
188 HB3 HIS 25 1HB HIS 25 -3.178 -6.076 4.035
189 HD1 HIS 25 1HD HIS 25 -1.404 -3.240 5.802
190 HD2 HIS 25 2HD HIS 25 -5.172 -5.021 5.712
191 HE1 HIS 25 1HE HIS 25 -2.937 -1.740 7.147
192 H GLY 26 H GLY 26 0.254 -8.196 5.515
193 HA2 GLY 26 2HA GLY 26 0.746 -10.244 4.482
194 HA3 GLY 26 1HA GLY 26 -0.964 -10.615 4.695
195 H ARG 27 H ARG 27 1.210 -8.747 2.559
196 HA ARG 27 HA ARG 27 -0.633 -9.442 0.293
197 HB2 ARG 27 2HB ARG 27 0.057 -6.936 1.387
198 HB3 ARG 27 1HB ARG 27 0.970 -7.058 -0.118
199 HG2 ARG 27 2HG ARG 27 -1.279 -6.074 -0.485
200 HG3 ARG 27 1HG ARG 27 -1.084 -7.601 -1.346
201 HD2 ARG 27 2HD ARG 27 -2.098 -7.972 1.385
202 HD3 ARG 27 1HD ARG 27 -3.185 -7.015 0.358
203 HE ARG 27 HE ARG 27 -2.252 -9.175 -1.214
204 HH11 ARG 27 1HH2 ARG 27 -5.023 -8.205 0.191
205 HH12 ARG 27 2HH2 ARG 27 -5.617 -9.773 0.627
206 HH21 ARG 27 1HH1 ARG 27 -2.618 -11.385 -0.035
207 HH22 ARG 27 2HH1 ARG 27 -4.255 -11.573 0.500
208 H SER 28 H SER 28 1.171 -8.281 -1.658
209 HA SER 28 HA SER 28 3.420 -10.264 -1.521
210 HB2 SER 28 2HB SER 28 1.334 -9.709 -3.431
211 HB3 SER 28 1HB SER 28 2.900 -9.420 -4.183
212 HG SER 28 HG SER 28 2.573 -11.560 -4.420
213 H GLY 29 H GLY 29 2.489 -7.053 -2.805
214 HA2 GLY 29 2HA GLY 29 4.885 -5.767 -1.958
215 HA3 GLY 29 1HA GLY 29 5.084 -6.250 -3.643
216 H TYR 30 H TYR 30 4.538 -3.576 -2.095
217 HA TYR 30 HA TYR 30 2.102 -2.402 -2.701
218 HB2 TYR 30 2HB TYR 30 3.320 -0.340 -2.639
219 HB3 TYR 30 1HB TYR 30 4.234 -1.458 -1.628
220 HD1 TYR 30 2HD TYR 30 6.082 -2.872 -2.883
221 HD2 TYR 30 1HD TYR 30 4.431 0.818 -4.335
222 HE1 TYR 30 2HE TYR 30 8.070 -2.552 -4.330
223 HE2 TYR 30 1HE TYR 30 6.419 1.138 -5.783
224 HH TYR 30 HH TYR 30 9.127 0.002 -5.462
225 H ALA 31 H ALA 31 1.186 -1.410 -4.574
226 HA ALA 31 HA ALA 31 2.504 -2.146 -7.174
227 HB1 ALA 31 3HB ALA 31 -0.426 -1.669 -7.006
228 HB2 ALA 31 1HB ALA 31 0.172 -3.107 -6.180
229 HB3 ALA 31 2HB ALA 31 0.459 -2.899 -7.909
230 H TYR 32 H TYR 32 -0.066 0.030 -5.980
231 HA TYR 32 HA TYR 32 1.239 2.467 -6.816
232 HB2 TYR 32 2HB TYR 32 -0.394 2.723 -8.825
233 HB3 TYR 32 1HB TYR 32 0.989 1.645 -9.034
234 HD1 TYR 32 2HD TYR 32 -2.645 1.766 -8.282
235 HD2 TYR 32 1HD TYR 32 0.698 -0.738 -9.291
236 HE1 TYR 32 2HE TYR 32 -4.192 -0.119 -8.713
237 HE2 TYR 32 1HE TYR 32 -0.852 -2.624 -9.719
238 HH TYR 32 HH TYR 32 -4.345 -2.181 -9.693
239 H CYS 33 H CYS 33 -0.018 4.262 -6.137
240 HA CYS 33 HA CYS 33 -2.413 3.611 -4.536
241 HB2 CYS 33 2HB CYS 33 -0.335 5.649 -4.699
242 HB3 CYS 33 1HB CYS 33 -1.934 6.371 -4.518
243 H SER 34 H SER 34 -4.361 3.584 -5.574
244 HA SER 34 HA SER 34 -4.768 5.425 -7.900
245 HB2 SER 34 2HB SER 34 -5.673 3.598 -8.884
246 HB3 SER 34 1HB SER 34 -5.145 2.659 -7.490
247 HG SER 34 HG SER 34 -7.437 2.565 -7.942
248 H GLY 35 H GLY 35 -6.190 7.089 -7.611
249 HA2 GLY 35 2HA GLY 35 -7.681 8.513 -6.465
250 HA3 GLY 35 1HA GLY 35 -8.700 7.074 -6.458
251 H GLY 36 H GLY 36 -9.562 7.418 -4.382
252 HA2 GLY 36 2HA GLY 36 -7.754 7.809 -2.097
253 HA3 GLY 36 1HA GLY 36 -9.513 7.693 -2.020
254 H GLY 37 H GLY 37 -7.139 5.438 -3.423
255 HA2 GLY 37 2HA GLY 37 -7.448 3.510 -1.271
256 HA3 GLY 37 1HA GLY 37 -8.359 3.058 -2.713
257 H MET 38 H MET 38 -5.440 2.611 -1.234
258 HA MET 38 HA MET 38 -3.739 2.679 -3.632
259 HB2 MET 38 2HB MET 38 -3.087 3.159 -1.198
260 HB3 MET 38 1HB MET 38 -3.184 1.416 -0.939
261 HG2 MET 38 2HG MET 38 -1.582 2.423 -3.259
262 HG3 MET 38 1HG MET 38 -0.890 2.554 -1.643
263 HE1 MET 38 3HE MET 38 1.133 -0.383 -2.436
264 HE2 MET 38 1HE MET 38 0.954 1.374 -2.343
265 HE3 MET 38 2HE MET 38 0.633 0.532 -3.856
266 H TYR 39 H TYR 39 -2.648 0.693 -4.403
267 HA TYR 39 HA TYR 39 -4.237 -1.798 -3.917
268 HB2 TYR 39 2HB TYR 39 -3.313 -0.503 -6.494
269 HB3 TYR 39 1HB TYR 39 -3.887 -2.171 -6.416
270 HD1 TYR 39 2HD TYR 39 -4.851 1.353 -5.645
271 HD2 TYR 39 1HD TYR 39 -6.195 -2.662 -6.357
272 HE1 TYR 39 2HE TYR 39 -7.199 2.147 -5.698
273 HE2 TYR 39 1HE TYR 39 -8.542 -1.869 -6.407
274 HH TYR 39 HH TYR 39 -9.512 1.072 -5.252
275 H CYS 40 H CYS 40 -2.997 -3.690 -3.833
276 HA CYS 40 HA CYS 40 -0.027 -3.332 -4.117
277 HB2 CYS 40 2HB CYS 40 -1.109 -3.595 -1.798
278 HB3 CYS 40 1HB CYS 40 -1.465 -5.253 -2.276
279 H ASN 41 H ASN 41 0.954 -4.754 -5.517
280 HA ASN 41 HA ASN 41 -0.473 -6.462 -7.264
281 HB2 ASN 41 2HB ASN 41 2.271 -5.785 -6.552
282 HB3 ASN 41 1HB ASN 41 2.129 -7.477 -7.030
283 HD21 ASN 41 1HD2 ASN 41 0.984 -7.873 -9.183
284 HD22 ASN 41 2HD2 ASN 41 1.136 -6.698 -10.397
Start of MODEL 16
1 H1 ALA 1 1HT ALA 1 -1.906 -7.507 -6.745
2 H2 ALA 1 2HT ALA 1 -2.641 -8.236 -8.092
3 H3 ALA 1 3HT ALA 1 -3.224 -8.553 -6.528
4 HA ALA 1 HA ALA 1 -3.195 -5.754 -7.384
5 HB1 ALA 1 3HB ALA 1 -5.301 -7.724 -8.303
6 HB2 ALA 1 1HB ALA 1 -3.918 -7.294 -9.311
7 HB3 ALA 1 2HB ALA 1 -5.077 -6.054 -8.828
8 H VAL 2 H VAL 2 -3.385 -5.406 -5.076
9 HA VAL 2 HA VAL 2 -6.068 -6.169 -3.984
10 HB VAL 2 HB VAL 2 -4.738 -6.362 -1.764
11 HG11 VAL 2 1HG1 VAL 2 -4.062 -8.708 -2.335
12 HG12 VAL 2 2HG1 VAL 2 -4.371 -8.341 -4.032
13 HG13 VAL 2 3HG1 VAL 2 -5.695 -8.308 -2.868
14 HG21 VAL 2 3HG2 VAL 2 -2.681 -5.354 -3.134
15 HG22 VAL 2 1HG2 VAL 2 -2.409 -7.055 -3.509
16 HG23 VAL 2 2HG2 VAL 2 -2.429 -6.513 -1.830
17 H ARG 3 H ARG 3 -6.008 -4.831 -1.618
18 HA ARG 3 HA ARG 3 -5.117 -2.038 -2.138
19 HB2 ARG 3 2HB ARG 3 -7.262 -1.951 -3.064
20 HB3 ARG 3 1HB ARG 3 -7.906 -3.141 -1.943
21 HG2 ARG 3 2HG ARG 3 -8.672 -0.750 -1.535
22 HG3 ARG 3 1HG ARG 3 -7.958 -1.560 -0.142
23 HD2 ARG 3 2HD ARG 3 -5.719 -0.478 -0.913
24 HD3 ARG 3 1HD ARG 3 -6.751 0.592 -1.883
25 HE ARG 3 HE ARG 3 -6.873 0.353 1.096
26 HH11 ARG 3 1HH1 ARG 3 -9.423 1.070 -0.495
27 HH12 ARG 3 2HH1 ARG 3 -9.393 2.797 -0.372
28 HH21 ARG 3 1HH2 ARG 3 -6.086 2.931 0.662
29 HH22 ARG 3 2HH2 ARG 3 -7.504 3.851 0.282
30 H ILE 4 H ILE 4 -4.045 -1.518 -0.279
31 HA ILE 4 HA ILE 4 -4.891 -2.745 2.301
32 HB ILE 4 HB ILE 4 -2.417 -1.487 1.147
33 HG12 ILE 4 2HG1 ILE 4 -2.834 -3.934 0.963
34 HG13 ILE 4 1HG1 ILE 4 -1.404 -3.576 1.931
35 HG21 ILE 4 1HG2 ILE 4 -3.230 -1.610 4.026
36 HG22 ILE 4 2HG2 ILE 4 -2.287 -0.380 3.185
37 HG23 ILE 4 3HG2 ILE 4 -1.544 -1.919 3.616
38 HD11 ILE 4 3HD1 ILE 4 -4.144 -4.406 2.896
39 HD12 ILE 4 1HD1 ILE 4 -2.955 -3.674 3.973
40 HD13 ILE 4 2HD1 ILE 4 -2.600 -5.209 3.180
41 H GLY 5 H GLY 5 -5.516 -1.434 4.047
42 HA2 GLY 5 2HA GLY 5 -6.820 1.022 3.510
43 HA3 GLY 5 1HA GLY 5 -6.407 0.446 5.117
44 HA PRO 6 HA PRO 6 -3.314 3.499 5.467
45 HB2 PRO 6 2HB PRO 6 -1.179 2.214 6.579
46 HB3 PRO 6 1HB PRO 6 -2.661 2.611 7.461
47 HG2 PRO 6 2HG PRO 6 -1.771 0.020 6.318
48 HG3 PRO 6 1HG PRO 6 -2.694 0.342 7.794
49 HD2 PRO 6 2HD PRO 6 -3.791 -0.551 5.431
50 HD3 PRO 6 1HD PRO 6 -4.689 0.312 6.695
51 H CYS 7 H CYS 7 -3.117 1.631 2.922
52 HA CYS 7 HA CYS 7 -0.243 2.037 2.303
53 HB2 CYS 7 2HB CYS 7 -2.467 0.333 1.471
54 HB3 CYS 7 1HB CYS 7 -1.571 0.968 0.097
55 H ASP 8 H ASP 8 -3.389 3.376 1.807
56 HA ASP 8 HA ASP 8 -2.501 5.146 -0.411
57 HB2 ASP 8 2HB ASP 8 -4.756 4.059 -0.400
58 HB3 ASP 8 1HB ASP 8 -5.127 4.895 1.108
59 H GLN 9 H GLN 9 -3.193 5.050 3.019
60 HA GLN 9 HA GLN 9 -3.066 7.945 3.438
61 HB2 GLN 9 2HB GLN 9 -4.300 6.113 4.792
62 HB3 GLN 9 1HB GLN 9 -2.719 5.737 5.480
63 HG2 GLN 9 2HG GLN 9 -2.738 8.439 5.767
64 HG3 GLN 9 1HG GLN 9 -4.461 8.092 5.926
65 HE21 GLN 9 1HE2 GLN 9 -1.348 7.788 7.493
66 HE22 GLN 9 2HE2 GLN 9 -1.913 7.034 8.906
67 H VAL 10 H VAL 10 -0.905 5.124 3.841
68 HA VAL 10 HA VAL 10 1.320 6.898 4.699
69 HB VAL 10 HB VAL 10 0.631 4.465 5.492
70 HG11 VAL 10 1HG1 VAL 10 0.845 3.669 3.039
71 HG12 VAL 10 2HG1 VAL 10 1.580 2.664 4.287
72 HG13 VAL 10 3HG1 VAL 10 2.586 3.735 3.311
73 HG21 VAL 10 3HG2 VAL 10 2.992 4.038 6.090
74 HG22 VAL 10 1HG2 VAL 10 2.574 5.736 6.324
75 HG23 VAL 10 2HG2 VAL 10 3.506 5.243 4.910
76 H CYS 11 H CYS 11 -0.068 6.425 1.839
77 HA CYS 11 HA CYS 11 1.984 5.539 0.054
78 HB2 CYS 11 2HB CYS 11 -0.613 6.013 -0.150
79 HB3 CYS 11 1HB CYS 11 -0.065 7.603 -0.679
80 HA PRO 12 HA PRO 12 3.053 10.177 -0.382
81 HB2 PRO 12 2HB PRO 12 2.315 11.864 1.640
82 HB3 PRO 12 1HB PRO 12 1.294 11.542 0.224
83 HG2 PRO 12 2HG PRO 12 1.079 10.501 2.988
84 HG3 PRO 12 1HG PRO 12 -0.192 10.874 1.815
85 HD2 PRO 12 2HD PRO 12 0.733 8.340 2.417
86 HD3 PRO 12 1HD PRO 12 -0.153 8.779 0.940
87 H ARG 13 H ARG 13 3.539 8.075 2.113
88 HA ARG 13 HA ARG 13 5.549 9.632 3.609
89 HB2 ARG 13 2HB ARG 13 4.505 6.789 3.668
90 HB3 ARG 13 1HB ARG 13 5.784 7.353 4.743
91 HG2 ARG 13 2HG ARG 13 3.269 8.967 4.557
92 HG3 ARG 13 1HG ARG 13 3.239 7.469 5.490
93 HD2 ARG 13 2HD ARG 13 5.389 8.360 6.634
94 HD3 ARG 13 1HD ARG 13 4.923 9.934 5.959
95 HE ARG 13 HE ARG 13 2.937 8.352 7.532
96 HH11 ARG 13 1HH2 ARG 13 3.056 11.300 6.269
97 HH12 ARG 13 2HH2 ARG 13 3.027 12.206 7.744
98 HH21 ARG 13 1HH1 ARG 13 3.669 9.456 9.756
99 HH22 ARG 13 2HH1 ARG 13 3.373 11.162 9.719
100 H ILE 14 H ILE 14 7.679 8.127 3.971
101 HA ILE 14 HA ILE 14 9.266 8.299 1.657
102 HB ILE 14 HB ILE 14 10.778 6.763 2.946
103 HG12 ILE 14 2HG1 ILE 14 8.330 6.580 4.732
104 HG13 ILE 14 1HG1 ILE 14 9.128 5.252 3.893
105 HG21 ILE 14 1HG2 ILE 14 10.535 9.240 3.400
106 HG22 ILE 14 2HG2 ILE 14 11.111 8.291 4.769
107 HG23 ILE 14 3HG2 ILE 14 9.430 8.820 4.709
108 HD11 ILE 14 3HD1 ILE 14 10.369 6.967 6.065
109 HD12 ILE 14 1HD1 ILE 14 11.176 5.648 5.217
110 HD13 ILE 14 2HD1 ILE 14 9.797 5.311 6.263
111 H VAL 15 H VAL 15 10.519 5.935 1.171
112 HA VAL 15 HA VAL 15 8.598 4.525 -0.528
113 HB VAL 15 HB VAL 15 11.548 4.150 0.067
114 HG11 VAL 15 1HG1 VAL 15 11.414 2.261 -1.149
115 HG12 VAL 15 2HG1 VAL 15 10.799 3.200 -2.509
116 HG13 VAL 15 3HG1 VAL 15 9.678 2.491 -1.347
117 HG21 VAL 15 3HG2 VAL 15 11.914 5.827 -1.404
118 HG22 VAL 15 1HG2 VAL 15 10.193 6.194 -1.293
119 HG23 VAL 15 2HG2 VAL 15 10.786 5.130 -2.568
120 HA PRO 16 HA PRO 16 9.787 0.924 2.420
121 HB2 PRO 16 2HB PRO 16 10.588 1.601 4.953
122 HB3 PRO 16 1HB PRO 16 11.720 1.324 3.613
123 HG2 PRO 16 2HG PRO 16 10.723 3.885 4.749
124 HG3 PRO 16 1HG PRO 16 12.337 3.464 4.157
125 HD2 PRO 16 2HD PRO 16 10.552 4.928 2.731
126 HD3 PRO 16 1HD PRO 16 11.798 3.913 1.976
127 H GLU 17 H GLU 17 8.139 3.820 3.217
128 HA GLU 17 HA GLU 17 6.402 2.650 5.281
129 HB2 GLU 17 2HB GLU 17 7.118 5.217 4.227
130 HB3 GLU 17 1HB GLU 17 5.367 5.044 4.097
131 HG2 GLU 17 2HG GLU 17 5.744 5.942 6.269
132 HG3 GLU 17 1HG GLU 17 5.425 4.227 6.527
133 H ARG 18 H ARG 18 6.605 2.631 1.876
134 HA ARG 18 HA ARG 18 3.681 2.158 1.513
135 HB2 ARG 18 2HB ARG 18 5.971 3.162 -0.056
136 HB3 ARG 18 1HB ARG 18 4.896 2.096 -0.959
137 HG2 ARG 18 2HG ARG 18 3.469 3.817 -1.204
138 HG3 ARG 18 1HG ARG 18 3.226 3.815 0.544
139 HD2 ARG 18 2HD ARG 18 4.123 5.912 0.483
140 HD3 ARG 18 1HD ARG 18 5.680 5.089 0.263
141 HE ARG 18 HE ARG 18 4.008 6.213 -1.929
142 HH11 ARG 18 1HH2 ARG 18 7.082 6.237 -0.830
143 HH12 ARG 18 2HH2 ARG 18 7.841 5.694 -2.290
144 HH21 ARG 18 1HH1 ARG 18 4.864 4.789 -3.817
145 HH22 ARG 18 2HH1 ARG 18 6.586 4.873 -3.980
146 H HIS 19 H HIS 19 6.772 0.741 0.342
147 HA HIS 19 HA HIS 19 5.709 -1.729 -0.550
148 HB2 HIS 19 2HB HIS 19 8.394 -0.841 0.528
149 HB3 HIS 19 1HB HIS 19 8.136 -2.435 -0.173
150 HD1 HIS 19 1HD HIS 19 8.747 -2.501 -2.581
151 HD2 HIS 19 2HD HIS 19 7.258 1.237 -1.486
152 HE1 HIS 19 1HE HIS 19 8.791 -1.073 -4.671
153 H GLU 20 H GLU 20 6.843 -0.717 2.663
154 HA GLU 20 HA GLU 20 6.649 -3.353 3.864
155 HB2 GLU 20 2HB GLU 20 7.959 -1.190 4.534
156 HB3 GLU 20 1HB GLU 20 6.449 -0.719 5.315
157 HG2 GLU 20 2HG GLU 20 7.058 -1.973 7.082
158 HG3 GLU 20 1HG GLU 20 6.862 -3.398 6.061
159 H CYS 21 H CYS 21 4.393 -0.771 3.204
160 HA CYS 21 HA CYS 21 2.395 -1.423 5.172
161 HB2 CYS 21 2HB CYS 21 2.364 0.707 4.096
162 HB3 CYS 21 1HB CYS 21 2.431 -0.022 2.493
163 H CYS 22 H CYS 22 3.156 -2.703 1.971
164 HA CYS 22 HA CYS 22 0.653 -4.148 1.640
165 HB2 CYS 22 2HB CYS 22 3.406 -4.350 0.377
166 HB3 CYS 22 1HB CYS 22 1.995 -5.234 -0.202
167 H ARG 23 H ARG 23 3.851 -4.904 2.969
168 HA ARG 23 HA ARG 23 3.123 -7.740 3.396
169 HB2 ARG 23 2HB ARG 23 5.554 -6.003 3.888
170 HB3 ARG 23 1HB ARG 23 5.486 -7.691 4.398
171 HG2 ARG 23 2HG ARG 23 5.926 -8.392 2.306
172 HG3 ARG 23 1HG ARG 23 4.574 -7.456 1.669
173 HD2 ARG 23 2HD ARG 23 5.917 -5.690 1.050
174 HD3 ARG 23 1HD ARG 23 7.017 -5.917 2.424
175 HE ARG 23 HE ARG 23 7.233 -8.209 0.761
176 HH11 ARG 23 1HH1 ARG 23 8.172 -4.923 1.094
177 HH12 ARG 23 2HH1 ARG 23 9.371 -4.994 -0.153
178 HH21 ARG 23 1HH2 ARG 23 8.658 -8.275 -1.019
179 HH22 ARG 23 2HH2 ARG 23 9.645 -6.892 -1.350
180 H ALA 24 H ALA 24 2.824 -4.767 5.058
181 HA ALA 24 HA ALA 24 3.074 -5.844 7.775
182 HB1 ALA 24 3HB ALA 24 2.021 -3.250 6.601
183 HB2 ALA 24 1HB ALA 24 3.635 -3.528 7.256
184 HB3 ALA 24 2HB ALA 24 2.234 -3.539 8.327
185 H HIS 25 H HIS 25 0.627 -5.766 5.360
186 HA HIS 25 HA HIS 25 -1.533 -6.152 7.396
187 HB2 HIS 25 2HB HIS 25 -1.274 -4.980 4.699
188 HB3 HIS 25 1HB HIS 25 -2.723 -5.960 4.923
189 HD1 HIS 25 1HD HIS 25 -0.872 -3.330 7.002
190 HD2 HIS 25 2HD HIS 25 -4.757 -4.426 5.959
191 HE1 HIS 25 1HE HIS 25 -2.412 -1.661 8.121
192 H GLY 26 H GLY 26 -1.333 -7.322 4.045
193 HA2 GLY 26 2HA GLY 26 -0.796 -10.067 4.692
194 HA3 GLY 26 1HA GLY 26 -2.536 -9.822 4.551
195 H ARG 27 H ARG 27 -0.263 -7.938 2.656
196 HA ARG 27 HA ARG 27 -1.386 -9.187 0.191
197 HB2 ARG 27 2HB ARG 27 0.245 -6.660 0.577
198 HB3 ARG 27 1HB ARG 27 -0.703 -7.100 -0.840
199 HG2 ARG 27 2HG ARG 27 -1.712 -6.365 1.913
200 HG3 ARG 27 1HG ARG 27 -2.053 -5.556 0.383
201 HD2 ARG 27 2HD ARG 27 -3.388 -7.412 -0.394
202 HD3 ARG 27 1HD ARG 27 -2.884 -8.412 0.982
203 HE ARG 27 HE ARG 27 -3.932 -6.306 2.297
204 HH11 ARG 27 1HH2 ARG 27 -5.228 -8.873 0.643
205 HH12 ARG 27 2HH2 ARG 27 -6.815 -8.203 0.455
206 HH21 ARG 27 1HH1 ARG 27 -5.906 -5.052 1.580
207 HH22 ARG 27 2HH1 ARG 27 -7.199 -6.041 0.986
208 H SER 28 H SER 28 0.729 -8.376 -1.531
209 HA SER 28 HA SER 28 2.911 -10.241 -0.662
210 HB2 SER 28 2HB SER 28 1.204 -10.160 -2.915
211 HB3 SER 28 1HB SER 28 2.794 -9.679 -3.499
212 HG SER 28 HG SER 28 2.419 -11.982 -3.467
213 H GLY 29 H GLY 29 2.372 -7.408 -2.799
214 HA2 GLY 29 2HA GLY 29 4.802 -6.145 -1.682
215 HA3 GLY 29 1HA GLY 29 4.818 -6.489 -3.412
216 H TYR 30 H TYR 30 4.966 -4.119 -3.682
217 HA TYR 30 HA TYR 30 2.481 -2.610 -3.042
218 HB2 TYR 30 2HB TYR 30 3.852 -0.692 -3.317
219 HB3 TYR 30 1HB TYR 30 4.932 -1.879 -2.587
220 HD1 TYR 30 1HD TYR 30 6.529 -3.174 -4.051
221 HD2 TYR 30 2HD TYR 30 4.235 0.149 -5.516
222 HE1 TYR 30 1HE TYR 30 8.044 -2.988 -6.005
223 HE2 TYR 30 2HE TYR 30 5.750 0.336 -7.469
224 HH TYR 30 HH TYR 30 7.297 -1.117 -8.738
225 H ALA 31 H ALA 31 1.524 -1.268 -4.809
226 HA ALA 31 HA ALA 31 2.012 -2.408 -7.542
227 HB1 ALA 31 3HB ALA 31 -0.160 -3.066 -7.674
228 HB2 ALA 31 1HB ALA 31 -0.737 -1.579 -6.925
229 HB3 ALA 31 2HB ALA 31 -0.171 -2.911 -5.917
230 H TYR 32 H TYR 32 -0.125 0.063 -6.105
231 HA TYR 32 HA TYR 32 1.267 2.331 -7.221
232 HB2 TYR 32 2HB TYR 32 -0.613 2.624 -9.031
233 HB3 TYR 32 1HB TYR 32 0.714 1.510 -9.360
234 HD1 TYR 32 2HD TYR 32 -2.763 1.662 -7.998
235 HD2 TYR 32 1HD TYR 32 0.300 -0.801 -9.734
236 HE1 TYR 32 2HE TYR 32 -4.383 -0.198 -8.211
237 HE2 TYR 32 1HE TYR 32 -1.322 -2.662 -9.945
238 HH TYR 32 HH TYR 32 -4.742 -2.215 -9.225
239 H CYS 33 H CYS 33 0.057 4.323 -6.833
240 HA CYS 33 HA CYS 33 -2.132 3.971 -4.836
241 HB2 CYS 33 2HB CYS 33 0.175 5.552 -5.037
242 HB3 CYS 33 1HB CYS 33 -1.157 6.673 -5.300
243 H SER 34 H SER 34 -4.012 3.769 -6.054
244 HA SER 34 HA SER 34 -4.514 5.572 -8.343
245 HB2 SER 34 2HB SER 34 -6.067 3.970 -8.917
246 HB3 SER 34 1HB SER 34 -5.086 2.981 -7.838
247 HG SER 34 HG SER 34 -7.509 4.345 -7.299
248 H GLY 35 H GLY 35 -6.240 7.107 -8.357
249 HA2 GLY 35 2HA GLY 35 -6.699 8.622 -6.041
250 HA3 GLY 35 1HA GLY 35 -7.774 8.634 -7.441
251 H GLY 36 H GLY 36 -7.584 7.860 -4.173
252 HA2 GLY 36 2HA GLY 36 -9.912 7.355 -3.247
253 HA3 GLY 36 1HA GLY 36 -9.930 6.020 -4.399
254 H GLY 37 H GLY 37 -7.311 5.066 -4.108
255 HA2 GLY 37 2HA GLY 37 -6.643 4.666 -1.312
256 HA3 GLY 37 1HA GLY 37 -7.477 3.270 -1.992
257 H MET 38 H MET 38 -5.141 2.481 -1.314
258 HA MET 38 HA MET 38 -3.265 2.868 -3.619
259 HB2 MET 38 2HB MET 38 -2.368 3.505 -1.452
260 HB3 MET 38 1HB MET 38 -2.903 1.985 -0.737
261 HG2 MET 38 2HG MET 38 -0.514 1.851 -1.207
262 HG3 MET 38 1HG MET 38 -1.376 0.762 -2.291
263 HE1 MET 38 3HE MET 38 1.708 2.684 -2.530
264 HE2 MET 38 1HE MET 38 1.715 2.141 -4.213
265 HE3 MET 38 2HE MET 38 1.192 1.048 -2.933
266 H TYR 39 H TYR 39 -2.022 0.799 -4.168
267 HA TYR 39 HA TYR 39 -3.695 -1.642 -3.719
268 HB2 TYR 39 2HB TYR 39 -2.617 -0.428 -6.270
269 HB3 TYR 39 1HB TYR 39 -3.149 -2.109 -6.185
270 HD1 TYR 39 1HD TYR 39 -4.273 1.384 -5.458
271 HD2 TYR 39 2HD TYR 39 -5.427 -2.648 -6.385
272 HE1 TYR 39 1HE TYR 39 -6.632 2.111 -5.684
273 HE2 TYR 39 2HE TYR 39 -7.786 -1.922 -6.614
274 HH TYR 39 HH TYR 39 -9.206 -0.226 -6.494
275 H CYS 40 H CYS 40 -2.507 -3.506 -3.379
276 HA CYS 40 HA CYS 40 0.479 -3.209 -3.418
277 HB2 CYS 40 2HB CYS 40 -1.490 -4.796 -1.760
278 HB3 CYS 40 1HB CYS 40 0.232 -5.174 -1.754
279 H ASN 41 H ASN 41 1.695 -4.752 -4.538
280 HA ASN 41 HA ASN 41 0.300 -6.382 -6.528
281 HB2 ASN 41 2HB ASN 41 2.369 -5.192 -7.037
282 HB3 ASN 41 1HB ASN 41 3.209 -6.033 -5.734
283 HD21 ASN 41 1HD2 ASN 41 4.126 -8.061 -6.224
284 HD22 ASN 41 2HD2 ASN 41 3.894 -8.881 -7.693
Start of MODEL 17
1 H1 ALA 1 1HT ALA 1 -4.983 -6.998 -9.105
2 H2 ALA 1 2HT ALA 1 -4.619 -7.781 -7.642
3 H3 ALA 1 3HT ALA 1 -4.370 -6.108 -7.798
4 HA ALA 1 HA ALA 1 -6.753 -5.736 -8.007
5 HB1 ALA 1 3HB ALA 1 -8.193 -7.778 -7.714
6 HB2 ALA 1 1HB ALA 1 -6.730 -8.762 -7.766
7 HB3 ALA 1 2HB ALA 1 -7.211 -7.823 -9.179
8 H VAL 2 H VAL 2 -4.772 -5.460 -5.990
9 HA VAL 2 HA VAL 2 -6.191 -6.432 -3.544
10 HB VAL 2 HB VAL 2 -3.322 -6.027 -4.355
11 HG11 VAL 2 1HG1 VAL 2 -4.442 -6.033 -1.550
12 HG12 VAL 2 2HG1 VAL 2 -3.410 -4.813 -2.298
13 HG13 VAL 2 3HG1 VAL 2 -2.757 -6.406 -1.916
14 HG21 VAL 2 3HG2 VAL 2 -4.940 -8.228 -3.058
15 HG22 VAL 2 1HG2 VAL 2 -3.182 -8.280 -3.186
16 HG23 VAL 2 2HG2 VAL 2 -4.171 -8.247 -4.646
17 H ARG 3 H ARG 3 -6.220 -4.878 -1.752
18 HA ARG 3 HA ARG 3 -5.511 -2.063 -2.388
19 HB2 ARG 3 2HB ARG 3 -7.705 -2.095 -3.194
20 HB3 ARG 3 1HB ARG 3 -8.234 -3.275 -2.005
21 HG2 ARG 3 2HG ARG 3 -9.072 -0.902 -1.620
22 HG3 ARG 3 1HG ARG 3 -8.249 -1.644 -0.249
23 HD2 ARG 3 2HD ARG 3 -6.102 -0.502 -1.186
24 HD3 ARG 3 1HD ARG 3 -7.233 0.506 -2.109
25 HE ARG 3 HE ARG 3 -7.298 0.265 0.881
26 HH11 ARG 3 1HH2 ARG 3 -9.722 1.298 -0.689
27 HH12 ARG 3 2HH2 ARG 3 -9.486 3.008 -0.560
28 HH21 ARG 3 1HH1 ARG 3 -6.179 2.745 0.447
29 HH22 ARG 3 2HH1 ARG 3 -7.480 3.827 0.082
30 H ILE 4 H ILE 4 -4.328 -1.483 -0.607
31 HA ILE 4 HA ILE 4 -5.009 -2.655 2.047
32 HB ILE 4 HB ILE 4 -2.631 -1.242 0.829
33 HG12 ILE 4 2HG1 ILE 4 -2.946 -3.681 0.431
34 HG13 ILE 4 1HG1 ILE 4 -1.502 -3.343 1.386
35 HG21 ILE 4 1HG2 ILE 4 -2.489 -0.318 2.952
36 HG22 ILE 4 2HG2 ILE 4 -1.674 -1.858 3.231
37 HG23 ILE 4 3HG2 ILE 4 -3.361 -1.655 3.702
38 HD11 ILE 4 3HD1 ILE 4 -4.046 -4.652 2.203
39 HD12 ILE 4 1HD1 ILE 4 -3.282 -3.595 3.391
40 HD13 ILE 4 2HD1 ILE 4 -2.395 -4.971 2.735
41 H GLY 5 H GLY 5 -5.331 -1.227 3.871
42 HA2 GLY 5 2HA GLY 5 -6.728 1.228 3.194
43 HA3 GLY 5 1HA GLY 5 -6.463 0.610 4.818
44 HA PRO 6 HA PRO 6 -3.231 3.473 5.448
45 HB2 PRO 6 2HB PRO 6 -1.179 2.049 6.542
46 HB3 PRO 6 1HB PRO 6 -2.673 2.446 7.402
47 HG2 PRO 6 2HG PRO 6 -1.828 -0.105 6.145
48 HG3 PRO 6 1HG PRO 6 -2.805 0.165 7.595
49 HD2 PRO 6 2HD PRO 6 -3.815 -0.547 5.126
50 HD3 PRO 6 1HD PRO 6 -4.748 0.241 6.415
51 H CYS 7 H CYS 7 -2.997 1.680 2.826
52 HA CYS 7 HA CYS 7 -0.099 2.072 2.311
53 HB2 CYS 7 2HB CYS 7 -2.374 0.520 1.240
54 HB3 CYS 7 1HB CYS 7 -1.240 1.095 0.023
55 H ASP 8 H ASP 8 -3.281 3.314 1.546
56 HA ASP 8 HA ASP 8 -2.297 5.203 -0.496
57 HB2 ASP 8 2HB ASP 8 -4.536 4.199 -0.665
58 HB3 ASP 8 1HB ASP 8 -4.950 4.806 0.939
59 H GLN 9 H GLN 9 -3.136 5.045 2.910
60 HA GLN 9 HA GLN 9 -3.028 7.905 3.434
61 HB2 GLN 9 2HB GLN 9 -3.590 5.415 4.780
62 HB3 GLN 9 1HB GLN 9 -2.456 6.354 5.752
63 HG2 GLN 9 2HG GLN 9 -3.991 8.342 5.458
64 HG3 GLN 9 1HG GLN 9 -5.163 7.245 4.727
65 HE21 GLN 9 1HE2 GLN 9 -4.947 8.761 7.493
66 HE22 GLN 9 2HE2 GLN 9 -5.372 7.554 8.607
67 H VAL 10 H VAL 10 -0.797 5.135 3.931
68 HA VAL 10 HA VAL 10 1.409 7.018 4.602
69 HB VAL 10 HB VAL 10 0.780 4.668 5.631
70 HG11 VAL 10 1HG1 VAL 10 2.720 3.654 3.587
71 HG12 VAL 10 2HG1 VAL 10 1.014 3.751 3.150
72 HG13 VAL 10 3HG1 VAL 10 1.518 2.768 4.525
73 HG21 VAL 10 3HG2 VAL 10 3.615 5.448 4.881
74 HG22 VAL 10 1HG2 VAL 10 3.194 4.277 6.130
75 HG23 VAL 10 2HG2 VAL 10 2.734 5.969 6.317
76 H CYS 11 H CYS 11 -0.005 6.399 1.838
77 HA CYS 11 HA CYS 11 1.925 5.305 0.041
78 HB2 CYS 11 2HB CYS 11 -0.646 5.958 -0.088
79 HB3 CYS 11 1HB CYS 11 -0.004 7.459 -0.747
80 HA PRO 12 HA PRO 12 3.230 9.833 -0.757
81 HB2 PRO 12 2HB PRO 12 2.558 11.722 1.101
82 HB3 PRO 12 1HB PRO 12 1.524 11.313 -0.281
83 HG2 PRO 12 2HG PRO 12 1.275 10.528 2.564
84 HG3 PRO 12 1HG PRO 12 0.017 10.851 1.364
85 HD2 PRO 12 2HD PRO 12 0.833 8.342 2.181
86 HD3 PRO 12 1HD PRO 12 -0.029 8.690 0.669
87 H ARG 13 H ARG 13 3.670 7.934 1.893
88 HA ARG 13 HA ARG 13 5.675 9.558 3.305
89 HB2 ARG 13 2HB ARG 13 4.736 6.679 3.485
90 HB3 ARG 13 1HB ARG 13 5.898 7.402 4.597
91 HG2 ARG 13 2HG ARG 13 3.168 8.605 4.101
92 HG3 ARG 13 1HG ARG 13 3.462 7.416 5.371
93 HD2 ARG 13 2HD ARG 13 4.501 8.944 6.703
94 HD3 ARG 13 1HD ARG 13 5.420 9.623 5.344
95 HE ARG 13 HE ARG 13 2.968 10.531 4.725
96 HH11 ARG 13 1HH2 ARG 13 4.885 12.328 6.190
97 HH12 ARG 13 2HH2 ARG 13 3.943 12.813 7.559
98 HH21 ARG 13 1HH1 ARG 13 1.600 10.287 7.177
99 HH22 ARG 13 2HH1 ARG 13 2.083 11.658 8.119
100 H ILE 14 H ILE 14 7.861 8.265 3.715
101 HA ILE 14 HA ILE 14 9.400 8.243 1.360
102 HB ILE 14 HB ILE 14 11.013 6.949 2.789
103 HG12 ILE 14 2HG1 ILE 14 8.627 6.880 4.667
104 HG13 ILE 14 1HG1 ILE 14 9.419 5.488 3.928
105 HG21 ILE 14 1HG2 ILE 14 10.144 8.804 4.805
106 HG22 ILE 14 2HG2 ILE 14 9.891 9.518 3.211
107 HG23 ILE 14 3HG2 ILE 14 11.494 8.952 3.681
108 HD11 ILE 14 3HD1 ILE 14 11.566 6.292 5.073
109 HD12 ILE 14 1HD1 ILE 14 10.320 5.626 6.129
110 HD13 ILE 14 2HD1 ILE 14 10.535 7.372 6.011
111 H VAL 15 H VAL 15 10.768 5.890 1.146
112 HA VAL 15 HA VAL 15 8.885 4.201 -0.327
113 HB VAL 15 HB VAL 15 11.860 4.197 0.202
114 HG11 VAL 15 1HG1 VAL 15 11.794 2.437 -1.713
115 HG12 VAL 15 2HG1 VAL 15 10.117 2.192 -1.224
116 HG13 VAL 15 3HG1 VAL 15 11.422 1.896 -0.076
117 HG21 VAL 15 3HG2 VAL 15 10.201 5.594 -1.582
118 HG22 VAL 15 1HG2 VAL 15 10.924 4.309 -2.550
119 HG23 VAL 15 2HG2 VAL 15 11.955 5.444 -1.680
120 HA PRO 16 HA PRO 16 10.260 1.054 3.012
121 HB2 PRO 16 2HB PRO 16 11.219 2.054 5.376
122 HB3 PRO 16 1HB PRO 16 12.263 1.618 4.008
123 HG2 PRO 16 2HG PRO 16 11.329 4.292 4.899
124 HG3 PRO 16 1HG PRO 16 12.886 3.809 4.213
125 HD2 PRO 16 2HD PRO 16 10.917 5.080 2.809
126 HD3 PRO 16 1HD PRO 16 12.156 4.048 2.062
127 H GLU 17 H GLU 17 8.465 3.868 3.311
128 HA GLU 17 HA GLU 17 6.917 2.931 5.678
129 HB2 GLU 17 2HB GLU 17 7.462 5.454 4.240
130 HB3 GLU 17 1HB GLU 17 5.792 5.273 4.774
131 HG2 GLU 17 2HG GLU 17 8.115 4.738 6.627
132 HG3 GLU 17 1HG GLU 17 7.427 6.352 6.442
133 H ARG 18 H ARG 18 6.935 2.671 2.299
134 HA ARG 18 HA ARG 18 3.967 2.311 2.149
135 HB2 ARG 18 2HB ARG 18 5.961 3.557 0.529
136 HB3 ARG 18 1HB ARG 18 5.317 2.190 -0.380
137 HG2 ARG 18 2HG ARG 18 3.107 3.019 -0.293
138 HG3 ARG 18 1HG ARG 18 3.482 4.124 1.029
139 HD2 ARG 18 2HD ARG 18 3.269 5.193 -1.301
140 HD3 ARG 18 1HD ARG 18 4.770 5.555 -0.426
141 HE ARG 18 HE ARG 18 4.749 3.191 -2.225
142 HH11 ARG 18 1HH2 ARG 18 4.802 6.117 -3.379
143 HH12 ARG 18 2HH2 ARG 18 6.498 6.266 -3.693
144 HH21 ARG 18 1HH1 ARG 18 7.362 3.491 -1.804
145 HH22 ARG 18 2HH1 ARG 18 7.948 4.780 -2.803
146 H HIS 19 H HIS 19 7.057 0.801 1.131
147 HA HIS 19 HA HIS 19 5.934 -1.621 0.110
148 HB2 HIS 19 2HB HIS 19 8.545 -0.534 0.969
149 HB3 HIS 19 1HB HIS 19 8.426 -2.293 1.041
150 HD1 HIS 19 1HD HIS 19 6.902 -3.105 -1.341
151 HD2 HIS 19 2HD HIS 19 9.562 0.101 -1.509
152 HE1 HIS 19 1HE HIS 19 7.509 -2.806 -3.782
153 H GLU 20 H GLU 20 6.730 -0.600 3.395
154 HA GLU 20 HA GLU 20 6.454 -3.282 4.541
155 HB2 GLU 20 2HB GLU 20 7.931 -1.551 5.481
156 HB3 GLU 20 1HB GLU 20 6.543 -0.495 5.745
157 HG2 GLU 20 2HG GLU 20 5.566 -2.141 7.290
158 HG3 GLU 20 1HG GLU 20 6.930 -3.223 7.012
159 H CYS 21 H CYS 21 4.291 -0.812 3.558
160 HA CYS 21 HA CYS 21 2.193 -1.172 5.506
161 HB2 CYS 21 2HB CYS 21 2.237 0.796 4.155
162 HB3 CYS 21 1HB CYS 21 2.378 -0.138 2.667
163 H CYS 22 H CYS 22 2.756 -2.577 2.261
164 HA CYS 22 HA CYS 22 0.376 -4.248 2.353
165 HB2 CYS 22 2HB CYS 22 2.643 -3.627 0.587
166 HB3 CYS 22 1HB CYS 22 2.101 -5.301 0.463
167 H ARG 23 H ARG 23 3.847 -4.771 2.973
168 HA ARG 23 HA ARG 23 3.710 -7.614 3.350
169 HB2 ARG 23 2HB ARG 23 5.570 -5.411 3.604
170 HB3 ARG 23 1HB ARG 23 5.742 -6.505 4.977
171 HG2 ARG 23 2HG ARG 23 5.438 -8.134 2.674
172 HG3 ARG 23 1HG ARG 23 6.616 -6.887 2.263
173 HD2 ARG 23 2HD ARG 23 7.813 -7.423 4.436
174 HD3 ARG 23 1HD ARG 23 6.735 -8.824 4.596
175 HE ARG 23 HE ARG 23 8.674 -8.418 2.360
176 HH11 ARG 23 1HH2 ARG 23 6.011 -10.023 2.014
177 HH12 ARG 23 2HH2 ARG 23 6.618 -11.636 2.183
178 HH21 ARG 23 1HH1 ARG 23 9.663 -10.635 3.508
179 HH22 ARG 23 2HH1 ARG 23 8.686 -11.983 3.028
180 H ALA 24 H ALA 24 2.760 -4.934 5.351
181 HA ALA 24 HA ALA 24 2.800 -6.484 7.860
182 HB1 ALA 24 3HB ALA 24 1.553 -3.787 7.271
183 HB2 ALA 24 1HB ALA 24 3.283 -3.992 7.544
184 HB3 ALA 24 2HB ALA 24 2.136 -4.387 8.824
185 H HIS 25 H HIS 25 0.486 -5.494 5.388
186 HA HIS 25 HA HIS 25 -1.768 -6.612 6.991
187 HB2 HIS 25 2HB HIS 25 -1.426 -4.762 4.648
188 HB3 HIS 25 1HB HIS 25 -2.977 -5.566 4.889
189 HD1 HIS 25 1HD HIS 25 -0.559 -3.265 6.699
190 HD2 HIS 25 2HD HIS 25 -4.542 -4.475 6.928
191 HE1 HIS 25 1HE HIS 25 -1.654 -1.798 8.449
192 H GLY 26 H GLY 26 0.035 -8.555 6.037
193 HA2 GLY 26 2HA GLY 26 0.211 -10.424 4.606
194 HA3 GLY 26 1HA GLY 26 -1.539 -10.474 4.820
195 H ARG 27 H ARG 27 0.863 -8.578 2.951
196 HA ARG 27 HA ARG 27 -0.941 -8.879 0.572
197 HB2 ARG 27 2HB ARG 27 -0.440 -6.575 2.070
198 HB3 ARG 27 1HB ARG 27 0.620 -6.413 0.670
199 HG2 ARG 27 2HG ARG 27 -1.603 -5.436 0.216
200 HG3 ARG 27 1HG ARG 27 -1.287 -6.818 -0.834
201 HD2 ARG 27 2HD ARG 27 -2.541 -7.601 1.702
202 HD3 ARG 27 1HD ARG 27 -3.553 -6.512 0.732
203 HE ARG 27 HE ARG 27 -2.407 -8.428 -1.028
204 HH11 ARG 27 1HH1 ARG 27 -5.214 -7.642 0.608
205 HH12 ARG 27 2HH1 ARG 27 -5.916 -9.224 0.536
206 HH21 ARG 27 1HH2 ARG 27 -3.050 -10.732 -0.699
207 HH22 ARG 27 2HH2 ARG 27 -4.692 -10.973 -0.204
208 H SER 28 H SER 28 0.486 -7.995 -1.439
209 HA SER 28 HA SER 28 2.938 -9.666 -1.428
210 HB2 SER 28 2HB SER 28 1.355 -9.985 -3.225
211 HB3 SER 28 1HB SER 28 1.294 -8.254 -3.548
212 HG SER 28 HG SER 28 3.277 -10.140 -4.138
213 H GLY 29 H GLY 29 2.615 -6.857 -3.493
214 HA2 GLY 29 2HA GLY 29 4.611 -5.354 -1.888
215 HA3 GLY 29 1HA GLY 29 5.044 -5.787 -3.542
216 H TYR 30 H TYR 30 4.415 -3.124 -2.159
217 HA TYR 30 HA TYR 30 2.026 -1.938 -2.943
218 HB2 TYR 30 2HB TYR 30 3.659 -0.707 -1.716
219 HB3 TYR 30 1HB TYR 30 4.894 -0.975 -2.946
220 HD1 TYR 30 1HD TYR 30 1.321 0.112 -3.246
221 HD2 TYR 30 2HD TYR 30 5.454 1.119 -3.841
222 HE1 TYR 30 1HE TYR 30 0.647 2.210 -4.385
223 HE2 TYR 30 2HE TYR 30 4.781 3.216 -4.980
224 HH TYR 30 HH TYR 30 2.626 4.754 -4.873
225 H ALA 31 H ALA 31 1.105 -1.360 -4.896
226 HA ALA 31 HA ALA 31 2.676 -1.951 -7.383
227 HB1 ALA 31 3HB ALA 31 0.668 -2.712 -8.301
228 HB2 ALA 31 1HB ALA 31 -0.310 -1.673 -7.265
229 HB3 ALA 31 2HB ALA 31 0.430 -3.130 -6.604
230 H TYR 32 H TYR 32 0.029 0.149 -6.223
231 HA TYR 32 HA TYR 32 1.240 2.598 -7.148
232 HB2 TYR 32 2HB TYR 32 -0.488 2.782 -9.096
233 HB3 TYR 32 1HB TYR 32 0.937 1.773 -9.348
234 HD1 TYR 32 2HD TYR 32 -2.681 1.743 -8.569
235 HD2 TYR 32 1HD TYR 32 0.764 -0.648 -9.502
236 HE1 TYR 32 2HE TYR 32 -4.149 -0.213 -8.956
237 HE2 TYR 32 1HE TYR 32 -0.706 -2.606 -9.887
238 HH TYR 32 HH TYR 32 -4.062 -2.585 -9.032
239 H CYS 33 H CYS 33 -0.024 4.370 -6.435
240 HA CYS 33 HA CYS 33 -2.321 3.698 -4.724
241 HB2 CYS 33 2HB CYS 33 -0.292 5.716 -4.956
242 HB3 CYS 33 1HB CYS 33 -1.871 6.501 -4.938
243 H SER 34 H SER 34 -4.284 3.496 -5.706
244 HA SER 34 HA SER 34 -5.158 5.631 -7.590
245 HB2 SER 34 2HB SER 34 -4.156 3.773 -8.892
246 HB3 SER 34 1HB SER 34 -5.260 2.639 -8.115
247 HG SER 34 HG SER 34 -6.710 3.225 -9.505
248 H GLY 35 H GLY 35 -7.594 5.165 -8.147
249 HA2 GLY 35 2HA GLY 35 -9.770 5.160 -7.259
250 HA3 GLY 35 1HA GLY 35 -9.316 3.565 -6.665
251 H GLY 36 H GLY 36 -8.484 6.946 -5.780
252 HA2 GLY 36 2HA GLY 36 -8.162 7.848 -3.614
253 HA3 GLY 36 1HA GLY 36 -9.781 7.195 -3.368
254 H GLY 37 H GLY 37 -6.818 5.343 -3.938
255 HA2 GLY 37 2HA GLY 37 -6.344 4.651 -1.189
256 HA3 GLY 37 1HA GLY 37 -7.312 3.399 -1.968
257 H MET 38 H MET 38 -5.185 2.178 -1.416
258 HA MET 38 HA MET 38 -3.219 2.589 -3.636
259 HB2 MET 38 2HB MET 38 -2.412 2.936 -1.304
260 HB3 MET 38 1HB MET 38 -2.859 1.270 -0.932
261 HG2 MET 38 2HG MET 38 -1.052 0.416 -2.014
262 HG3 MET 38 1HG MET 38 -1.201 1.555 -3.351
263 HE1 MET 38 3HE MET 38 2.001 0.950 -1.268
264 HE2 MET 38 1HE MET 38 0.461 0.178 -0.863
265 HE3 MET 38 2HE MET 38 1.200 1.319 0.258
266 H TYR 39 H TYR 39 -2.329 0.628 -4.596
267 HA TYR 39 HA TYR 39 -4.087 -1.773 -4.258
268 HB2 TYR 39 2HB TYR 39 -3.129 -0.272 -6.688
269 HB3 TYR 39 1HB TYR 39 -3.598 -1.968 -6.814
270 HD1 TYR 39 2HD TYR 39 -4.848 1.249 -5.327
271 HD2 TYR 39 1HD TYR 39 -5.822 -2.464 -7.249
272 HE1 TYR 39 2HE TYR 39 -7.238 1.900 -5.373
273 HE2 TYR 39 1HE TYR 39 -8.213 -1.813 -7.299
274 HH TYR 39 HH TYR 39 -9.710 -0.282 -6.741
275 H CYS 40 H CYS 40 -2.960 -3.689 -4.013
276 HA CYS 40 HA CYS 40 0.013 -3.567 -4.407
277 HB2 CYS 40 2HB CYS 40 -1.593 -4.221 -2.216
278 HB3 CYS 40 1HB CYS 40 -1.047 -5.782 -2.830
279 H ASN 41 H ASN 41 0.942 -5.836 -4.918
280 HA ASN 41 HA ASN 41 -0.436 -6.880 -7.293
281 HB2 ASN 41 2HB ASN 41 1.992 -6.494 -7.223
282 HB3 ASN 41 1HB ASN 41 2.143 -7.614 -5.869
283 HD21 ASN 41 1HD2 ASN 41 3.681 -8.484 -7.827
284 HD22 ASN 41 2HD2 ASN 41 2.958 -9.692 -8.776
Start of MODEL 18
1 H1 ALA 1 1HT ALA 1 -3.355 -8.513 -8.417
2 H2 ALA 1 2HT ALA 1 -4.220 -9.085 -7.072
3 H3 ALA 1 3HT ALA 1 -2.784 -8.205 -6.851
4 HA ALA 1 HA ALA 1 -3.766 -6.187 -7.507
5 HB1 ALA 1 3HB ALA 1 -6.300 -6.644 -8.356
6 HB2 ALA 1 1HB ALA 1 -5.543 -8.160 -8.846
7 HB3 ALA 1 2HB ALA 1 -4.915 -6.626 -9.449
8 H VAL 2 H VAL 2 -4.013 -5.541 -5.370
9 HA VAL 2 HA VAL 2 -6.532 -6.369 -3.997
10 HB VAL 2 HB VAL 2 -5.043 -6.526 -1.898
11 HG11 VAL 2 1HG1 VAL 2 -5.370 -8.410 -4.136
12 HG12 VAL 2 2HG1 VAL 2 -5.647 -8.654 -2.412
13 HG13 VAL 2 3HG1 VAL 2 -4.018 -8.795 -3.073
14 HG21 VAL 2 3HG2 VAL 2 -2.921 -6.732 -4.060
15 HG22 VAL 2 1HG2 VAL 2 -2.670 -7.013 -2.336
16 HG23 VAL 2 2HG2 VAL 2 -3.081 -5.399 -2.916
17 H ARG 3 H ARG 3 -6.239 -4.971 -1.665
18 HA ARG 3 HA ARG 3 -5.432 -2.190 -2.335
19 HB2 ARG 3 2HB ARG 3 -7.641 -2.121 -3.075
20 HB3 ARG 3 1HB ARG 3 -8.180 -3.316 -1.907
21 HG2 ARG 3 2HG ARG 3 -8.965 -0.954 -1.437
22 HG3 ARG 3 1HG ARG 3 -8.104 -1.725 -0.108
23 HD2 ARG 3 2HD ARG 3 -5.981 -0.586 -1.066
24 HD3 ARG 3 1HD ARG 3 -7.111 0.427 -1.983
25 HE ARG 3 HE ARG 3 -7.113 0.213 1.006
26 HH11 ARG 3 1HH2 ARG 3 -9.518 1.151 -0.799
27 HH12 ARG 3 2HH2 ARG 3 -9.392 2.863 -0.566
28 HH21 ARG 3 1HH1 ARG 3 -6.215 2.707 0.816
29 HH22 ARG 3 2HH1 ARG 3 -7.522 3.744 0.348
30 H ILE 4 H ILE 4 -4.258 -1.535 -0.582
31 HA ILE 4 HA ILE 4 -4.802 -2.753 2.083
32 HB ILE 4 HB ILE 4 -2.520 -1.274 0.771
33 HG12 ILE 4 2HG1 ILE 4 -2.782 -3.734 0.440
34 HG13 ILE 4 1HG1 ILE 4 -1.305 -3.328 1.317
35 HG21 ILE 4 1HG2 ILE 4 -3.160 -1.585 3.665
36 HG22 ILE 4 2HG2 ILE 4 -2.251 -0.314 2.848
37 HG23 ILE 4 3HG2 ILE 4 -1.489 -1.868 3.181
38 HD11 ILE 4 3HD1 ILE 4 -2.761 -3.641 3.452
39 HD12 ILE 4 1HD1 ILE 4 -2.208 -5.081 2.598
40 HD13 ILE 4 2HD1 ILE 4 -3.862 -4.509 2.383
41 H GLY 5 H GLY 5 -5.300 -1.433 3.881
42 HA2 GLY 5 2HA GLY 5 -6.760 0.981 3.349
43 HA3 GLY 5 1HA GLY 5 -6.342 0.375 4.947
44 HA PRO 6 HA PRO 6 -3.279 3.450 5.372
45 HB2 PRO 6 2HB PRO 6 -1.105 2.162 6.404
46 HB3 PRO 6 1HB PRO 6 -2.585 2.485 7.322
47 HG2 PRO 6 2HG PRO 6 -1.650 -0.031 6.057
48 HG3 PRO 6 1HG PRO 6 -2.569 0.206 7.550
49 HD2 PRO 6 2HD PRO 6 -3.657 -0.603 5.148
50 HD3 PRO 6 1HD PRO 6 -4.568 0.163 6.463
51 H CYS 7 H CYS 7 -3.082 1.704 2.742
52 HA CYS 7 HA CYS 7 -0.216 2.165 2.114
53 HB2 CYS 7 2HB CYS 7 -2.459 0.515 1.185
54 HB3 CYS 7 1HB CYS 7 -1.500 1.181 -0.132
55 H ASP 8 H ASP 8 -3.428 3.396 1.535
56 HA ASP 8 HA ASP 8 -2.538 5.282 -0.564
57 HB2 ASP 8 2HB ASP 8 -4.801 4.073 -0.430
58 HB3 ASP 8 1HB ASP 8 -5.177 5.132 0.930
59 H GLN 9 H GLN 9 -2.988 5.043 2.862
60 HA GLN 9 HA GLN 9 -2.988 7.954 3.346
61 HB2 GLN 9 2HB GLN 9 -3.648 5.498 4.712
62 HB3 GLN 9 1HB GLN 9 -2.518 6.425 5.699
63 HG2 GLN 9 2HG GLN 9 -4.717 7.176 6.297
64 HG3 GLN 9 1HG GLN 9 -4.005 8.447 5.303
65 HE21 GLN 9 1HE2 GLN 9 -6.310 9.066 4.784
66 HE22 GLN 9 2HE2 GLN 9 -7.144 8.199 3.586
67 H VAL 10 H VAL 10 -0.818 5.138 3.849
68 HA VAL 10 HA VAL 10 1.391 6.961 4.652
69 HB VAL 10 HB VAL 10 0.684 4.580 5.571
70 HG11 VAL 10 1HG1 VAL 10 2.715 3.657 3.561
71 HG12 VAL 10 2HG1 VAL 10 1.013 3.718 3.103
72 HG13 VAL 10 3HG1 VAL 10 1.526 2.712 4.457
73 HG21 VAL 10 3HG2 VAL 10 2.687 6.003 6.215
74 HG22 VAL 10 1HG2 VAL 10 3.608 5.123 4.995
75 HG23 VAL 10 2HG2 VAL 10 2.929 4.263 6.377
76 H CYS 11 H CYS 11 0.066 6.395 1.810
77 HA CYS 11 HA CYS 11 2.093 5.352 0.093
78 HB2 CYS 11 2HB CYS 11 -0.504 6.086 -0.103
79 HB3 CYS 11 1HB CYS 11 0.258 7.474 -0.880
80 HA PRO 12 HA PRO 12 3.380 9.911 -0.558
81 HB2 PRO 12 2HB PRO 12 2.632 11.743 1.329
82 HB3 PRO 12 1HB PRO 12 1.652 11.370 -0.103
83 HG2 PRO 12 2HG PRO 12 1.300 10.504 2.707
84 HG3 PRO 12 1HG PRO 12 0.086 10.854 1.470
85 HD2 PRO 12 2HD PRO 12 0.884 8.327 2.248
86 HD3 PRO 12 1HD PRO 12 0.079 8.713 0.712
87 H ARG 13 H ARG 13 3.770 7.928 2.030
88 HA ARG 13 HA ARG 13 5.697 9.535 3.569
89 HB2 ARG 13 2HB ARG 13 4.742 6.659 3.614
90 HB3 ARG 13 1HB ARG 13 5.929 7.294 4.754
91 HG2 ARG 13 2HG ARG 13 3.589 9.027 4.518
92 HG3 ARG 13 1HG ARG 13 3.166 7.403 5.058
93 HD2 ARG 13 2HD ARG 13 4.228 7.664 7.070
94 HD3 ARG 13 1HD ARG 13 5.568 8.578 6.349
95 HE ARG 13 HE ARG 13 3.190 9.748 7.488
96 HH11 ARG 13 1HH2 ARG 13 6.012 10.292 5.722
97 HH12 ARG 13 2HH2 ARG 13 5.531 11.838 5.108
98 HH21 ARG 13 1HH1 ARG 13 2.294 11.611 6.331
99 HH22 ARG 13 2HH1 ARG 13 3.426 12.586 5.453
100 H ILE 14 H ILE 14 7.856 8.107 4.032
101 HA ILE 14 HA ILE 14 9.512 8.280 1.761
102 HB ILE 14 HB ILE 14 11.035 6.825 3.131
103 HG12 ILE 14 2HG1 ILE 14 8.565 6.632 4.888
104 HG13 ILE 14 1HG1 ILE 14 9.372 5.299 4.062
105 HG21 ILE 14 1HG2 ILE 14 11.225 8.393 4.974
106 HG22 ILE 14 2HG2 ILE 14 9.559 8.922 4.746
107 HG23 ILE 14 3HG2 ILE 14 10.775 9.284 3.520
108 HD11 ILE 14 3HD1 ILE 14 10.595 7.041 6.223
109 HD12 ILE 14 1HD1 ILE 14 11.419 5.728 5.382
110 HD13 ILE 14 2HD1 ILE 14 10.043 5.378 6.429
111 H VAL 15 H VAL 15 10.850 5.902 1.425
112 HA VAL 15 HA VAL 15 9.031 4.427 -0.327
113 HB VAL 15 HB VAL 15 11.951 4.234 0.427
114 HG11 VAL 15 1HG1 VAL 15 10.203 2.399 -1.157
115 HG12 VAL 15 2HG1 VAL 15 11.619 2.027 -0.173
116 HG13 VAL 15 3HG1 VAL 15 11.822 2.726 -1.780
117 HG21 VAL 15 3HG2 VAL 15 12.084 5.857 -1.139
118 HG22 VAL 15 1HG2 VAL 15 10.371 5.695 -1.522
119 HG23 VAL 15 2HG2 VAL 15 11.556 4.665 -2.326
120 HA PRO 16 HA PRO 16 10.052 0.917 2.772
121 HB2 PRO 16 2HB PRO 16 10.846 1.647 5.292
122 HB3 PRO 16 1HB PRO 16 11.983 1.309 3.971
123 HG2 PRO 16 2HG PRO 16 11.043 3.919 5.038
124 HG3 PRO 16 1HG PRO 16 12.645 3.447 4.453
125 HD2 PRO 16 2HD PRO 16 10.871 4.915 2.999
126 HD3 PRO 16 1HD PRO 16 12.118 3.883 2.270
127 H GLU 17 H GLU 17 8.408 3.837 3.398
128 HA GLU 17 HA GLU 17 6.686 2.832 5.552
129 HB2 GLU 17 2HB GLU 17 7.369 5.298 4.281
130 HB3 GLU 17 1HB GLU 17 5.624 5.089 4.127
131 HG2 GLU 17 2HG GLU 17 6.384 6.255 6.252
132 HG3 GLU 17 1HG GLU 17 5.361 4.841 6.500
133 H ARG 18 H ARG 18 6.754 2.831 2.072
134 HA ARG 18 HA ARG 18 3.887 2.050 1.871
135 HB2 ARG 18 2HB ARG 18 5.734 3.529 0.328
136 HB3 ARG 18 1HB ARG 18 5.420 2.056 -0.590
137 HG2 ARG 18 2HG ARG 18 2.896 2.706 0.230
138 HG3 ARG 18 1HG ARG 18 3.613 4.305 0.038
139 HD2 ARG 18 2HD ARG 18 3.753 2.143 -2.091
140 HD3 ARG 18 1HD ARG 18 2.550 3.449 -2.078
141 HE ARG 18 HE ARG 18 4.529 5.045 -2.062
142 HH11 ARG 18 1HH2 ARG 18 6.698 3.043 -1.708
143 HH12 ARG 18 2HH2 ARG 18 7.255 2.801 -3.330
144 HH21 ARG 18 1HH1 ARG 18 4.439 4.201 -4.789
145 HH22 ARG 18 2HH1 ARG 18 5.978 3.457 -5.073
146 H HIS 19 H HIS 19 7.133 0.854 0.945
147 HA HIS 19 HA HIS 19 6.381 -1.664 -0.113
148 HB2 HIS 19 2HB HIS 19 8.679 -0.230 0.410
149 HB3 HIS 19 1HB HIS 19 8.828 -1.581 1.533
150 HD1 HIS 19 1HD HIS 19 7.075 -3.397 -0.641
151 HD2 HIS 19 2HD HIS 19 10.753 -1.512 -1.178
152 HE1 HIS 19 1HE HIS 19 8.226 -4.607 -2.545
153 H GLU 20 H GLU 20 6.817 -0.613 3.243
154 HA GLU 20 HA GLU 20 6.521 -3.321 4.339
155 HB2 GLU 20 2HB GLU 20 7.847 -1.280 5.233
156 HB3 GLU 20 1HB GLU 20 6.287 -0.685 5.799
157 HG2 GLU 20 2HG GLU 20 6.048 -3.083 6.834
158 HG3 GLU 20 1HG GLU 20 7.804 -3.131 6.666
159 H CYS 21 H CYS 21 4.426 -0.722 3.403
160 HA CYS 21 HA CYS 21 2.212 -1.120 5.151
161 HB2 CYS 21 2HB CYS 21 2.424 0.802 3.689
162 HB3 CYS 21 1HB CYS 21 2.442 -0.232 2.260
163 H CYS 22 H CYS 22 2.986 -2.634 2.006
164 HA CYS 22 HA CYS 22 0.586 -4.275 1.972
165 HB2 CYS 22 2HB CYS 22 3.117 -3.936 0.418
166 HB3 CYS 22 1HB CYS 22 2.220 -5.438 0.194
167 H ARG 23 H ARG 23 3.809 -4.617 3.303
168 HA ARG 23 HA ARG 23 3.611 -7.532 3.643
169 HB2 ARG 23 2HB ARG 23 5.543 -5.327 4.066
170 HB3 ARG 23 1HB ARG 23 5.688 -6.674 5.197
171 HG2 ARG 23 2HG ARG 23 5.878 -8.258 3.355
172 HG3 ARG 23 1HG ARG 23 5.609 -6.968 2.181
173 HD2 ARG 23 2HD ARG 23 7.934 -7.028 2.156
174 HD3 ARG 23 1HD ARG 23 7.695 -5.885 3.494
175 HE ARG 23 HE ARG 23 7.664 -8.717 4.281
176 HH11 ARG 23 1HH1 ARG 23 10.308 -7.566 2.994
177 HH12 ARG 23 2HH1 ARG 23 11.204 -7.250 4.442
178 HH21 ARG 23 1HH2 ARG 23 8.452 -7.557 6.529
179 HH22 ARG 23 2HH2 ARG 23 10.153 -7.244 6.443
180 H ALA 24 H ALA 24 2.708 -4.685 5.415
181 HA ALA 24 HA ALA 24 2.607 -6.059 8.027
182 HB1 ALA 24 3HB ALA 24 2.229 -3.900 8.847
183 HB2 ALA 24 1HB ALA 24 1.379 -3.391 7.388
184 HB3 ALA 24 2HB ALA 24 3.135 -3.554 7.373
185 H HIS 25 H HIS 25 0.589 -5.679 5.286
186 HA HIS 25 HA HIS 25 -1.841 -6.374 6.908
187 HB2 HIS 25 2HB HIS 25 -1.279 -4.629 4.557
188 HB3 HIS 25 1HB HIS 25 -2.821 -5.486 4.555
189 HD1 HIS 25 1HD HIS 25 -0.782 -3.344 6.976
190 HD2 HIS 25 2HD HIS 25 -4.755 -4.176 6.025
191 HE1 HIS 25 1HE HIS 25 -2.198 -1.835 8.435
192 H GLY 26 H GLY 26 0.096 -8.351 6.027
193 HA2 GLY 26 2HA GLY 26 0.261 -10.309 4.721
194 HA3 GLY 26 1HA GLY 26 -1.477 -10.392 5.011
195 H ARG 27 H ARG 27 0.784 -8.539 2.937
196 HA ARG 27 HA ARG 27 -1.081 -9.062 0.649
197 HB2 ARG 27 2HB ARG 27 -0.569 -6.633 1.998
198 HB3 ARG 27 1HB ARG 27 0.300 -6.522 0.467
199 HG2 ARG 27 2HG ARG 27 -1.865 -5.725 -0.051
200 HG3 ARG 27 1HG ARG 27 -1.881 -7.397 -0.612
201 HD2 ARG 27 2HD ARG 27 -2.633 -7.449 2.135
202 HD3 ARG 27 1HD ARG 27 -3.592 -6.179 1.348
203 HE ARG 27 HE ARG 27 -3.924 -8.036 -0.491
204 HH11 ARG 27 1HH1 ARG 27 -4.436 -8.070 2.866
205 HH12 ARG 27 2HH1 ARG 27 -5.026 -9.698 2.918
206 HH21 ARG 27 1HH2 ARG 27 -4.344 -10.335 -0.421
207 HH22 ARG 27 2HH2 ARG 27 -4.975 -10.980 1.057
208 H SER 28 H SER 28 0.633 -7.488 -1.133
209 HA SER 28 HA SER 28 3.023 -9.301 -1.248
210 HB2 SER 28 2HB SER 28 1.377 -8.047 -3.470
211 HB3 SER 28 1HB SER 28 2.745 -9.132 -3.699
212 HG SER 28 HG SER 28 0.486 -10.025 -3.677
213 H GLY 29 H GLY 29 3.526 -7.386 -3.750
214 HA2 GLY 29 2HA GLY 29 5.115 -5.445 -2.156
215 HA3 GLY 29 1HA GLY 29 5.395 -5.848 -3.851
216 H TYR 30 H TYR 30 4.678 -3.265 -2.231
217 HA TYR 30 HA TYR 30 2.229 -2.149 -2.816
218 HB2 TYR 30 2HB TYR 30 3.411 -0.041 -2.841
219 HB3 TYR 30 1HB TYR 30 4.303 -1.118 -1.767
220 HD1 TYR 30 1HD TYR 30 6.293 -2.412 -2.725
221 HD2 TYR 30 2HD TYR 30 4.452 0.901 -4.747
222 HE1 TYR 30 1HE TYR 30 8.321 -2.143 -4.128
223 HE2 TYR 30 2HE TYR 30 6.480 1.170 -6.150
224 HH TYR 30 HH TYR 30 9.419 -0.269 -5.426
225 H ALA 31 H ALA 31 1.063 -1.782 -4.674
226 HA ALA 31 HA ALA 31 2.382 -2.300 -7.296
227 HB1 ALA 31 3HB ALA 31 -0.543 -1.758 -6.869
228 HB2 ALA 31 1HB ALA 31 0.136 -3.293 -6.324
229 HB3 ALA 31 2HB ALA 31 0.225 -2.842 -8.028
230 H TYR 32 H TYR 32 -0.078 -0.019 -6.061
231 HA TYR 32 HA TYR 32 1.281 2.355 -6.987
232 HB2 TYR 32 2HB TYR 32 -0.400 2.630 -8.949
233 HB3 TYR 32 1HB TYR 32 0.928 1.492 -9.177
234 HD1 TYR 32 2HD TYR 32 -2.679 1.802 -8.394
235 HD2 TYR 32 1HD TYR 32 0.536 -0.904 -9.294
236 HE1 TYR 32 2HE TYR 32 -4.316 -0.023 -8.740
237 HE2 TYR 32 1HE TYR 32 -1.104 -2.728 -9.638
238 HH TYR 32 HH TYR 32 -4.433 -2.178 -9.960
239 H CYS 33 H CYS 33 0.062 4.229 -6.402
240 HA CYS 33 HA CYS 33 -2.313 3.692 -4.705
241 HB2 CYS 33 2HB CYS 33 -0.115 5.578 -4.864
242 HB3 CYS 33 1HB CYS 33 -1.651 6.434 -4.750
243 H SER 34 H SER 34 -4.243 3.712 -5.795
244 HA SER 34 HA SER 34 -4.565 5.543 -8.132
245 HB2 SER 34 2HB SER 34 -5.771 3.825 -9.001
246 HB3 SER 34 1HB SER 34 -5.138 2.857 -7.671
247 HG SER 34 HG SER 34 -7.650 3.681 -8.135
248 H GLY 35 H GLY 35 -6.753 6.618 -8.295
249 HA2 GLY 35 2HA GLY 35 -7.337 8.151 -5.956
250 HA3 GLY 35 1HA GLY 35 -8.354 8.081 -7.396
251 H GLY 36 H GLY 36 -8.408 7.490 -4.166
252 HA2 GLY 36 2HA GLY 36 -10.584 6.665 -3.270
253 HA3 GLY 36 1HA GLY 36 -10.517 5.393 -4.490
254 H GLY 37 H GLY 37 -7.506 5.215 -3.929
255 HA2 GLY 37 2HA GLY 37 -6.797 4.546 -1.360
256 HA3 GLY 37 1HA GLY 37 -7.741 3.149 -1.878
257 H MET 38 H MET 38 -5.239 2.496 -1.338
258 HA MET 38 HA MET 38 -3.632 2.674 -3.846
259 HB2 MET 38 2HB MET 38 -2.575 3.275 -1.714
260 HB3 MET 38 1HB MET 38 -3.031 1.713 -1.029
261 HG2 MET 38 2HG MET 38 -1.459 0.549 -2.280
262 HG3 MET 38 1HG MET 38 -1.441 1.753 -3.568
263 HE1 MET 38 3HE MET 38 0.612 0.111 -2.094
264 HE2 MET 38 1HE MET 38 1.870 1.016 -1.240
265 HE3 MET 38 2HE MET 38 1.659 1.218 -2.978
266 H TYR 39 H TYR 39 -2.529 0.566 -4.493
267 HA TYR 39 HA TYR 39 -4.166 -1.847 -3.832
268 HB2 TYR 39 2HB TYR 39 -3.438 -0.765 -6.574
269 HB3 TYR 39 1HB TYR 39 -4.232 -2.314 -6.286
270 HD1 TYR 39 2HD TYR 39 -4.582 1.363 -5.762
271 HD2 TYR 39 1HD TYR 39 -6.565 -2.443 -5.911
272 HE1 TYR 39 2HE TYR 39 -6.781 2.504 -5.640
273 HE2 TYR 39 1HE TYR 39 -8.763 -1.304 -5.790
274 HH TYR 39 HH TYR 39 -9.416 1.516 -6.534
275 H CYS 40 H CYS 40 -2.987 -3.810 -3.985
276 HA CYS 40 HA CYS 40 -0.038 -3.489 -4.469
277 HB2 CYS 40 2HB CYS 40 -1.326 -4.099 -2.139
278 HB3 CYS 40 1HB CYS 40 -1.041 -5.714 -2.789
279 H ASN 41 H ASN 41 0.938 -5.807 -4.928
280 HA ASN 41 HA ASN 41 -0.387 -6.836 -7.319
281 HB2 ASN 41 2HB ASN 41 1.996 -7.936 -5.802
282 HB3 ASN 41 1HB ASN 41 1.644 -8.116 -7.521
283 HD21 ASN 41 1HD2 ASN 41 4.102 -7.047 -7.019
284 HD22 ASN 41 2HD2 ASN 41 4.119 -5.372 -7.292
Start of MODEL 19
1 H1 ALA 1 1HT ALA 1 -2.434 -7.741 -7.944
2 H2 ALA 1 2HT ALA 1 -3.855 -8.650 -7.750
3 H3 ALA 1 3HT ALA 1 -3.043 -8.038 -6.390
4 HA ALA 1 HA ALA 1 -3.467 -5.739 -7.504
5 HB1 ALA 1 3HB ALA 1 -5.851 -7.222 -8.549
6 HB2 ALA 1 1HB ALA 1 -4.348 -7.314 -9.468
7 HB3 ALA 1 2HB ALA 1 -5.100 -5.748 -9.159
8 H VAL 2 H VAL 2 -3.651 -5.655 -5.128
9 HA VAL 2 HA VAL 2 -6.432 -6.246 -4.162
10 HB VAL 2 HB VAL 2 -5.265 -6.570 -1.937
11 HG11 VAL 2 1HG1 VAL 2 -4.619 -8.808 -2.429
12 HG12 VAL 2 2HG1 VAL 2 -4.150 -8.390 -4.077
13 HG13 VAL 2 3HG1 VAL 2 -5.855 -8.413 -3.624
14 HG21 VAL 2 3HG2 VAL 2 -2.677 -7.050 -3.241
15 HG22 VAL 2 1HG2 VAL 2 -3.032 -6.236 -1.717
16 HG23 VAL 2 2HG2 VAL 2 -3.149 -5.351 -3.238
17 H ARG 3 H ARG 3 -6.164 -4.917 -1.693
18 HA ARG 3 HA ARG 3 -5.413 -2.111 -2.328
19 HB2 ARG 3 2HB ARG 3 -7.617 -2.059 -3.056
20 HB3 ARG 3 1HB ARG 3 -8.129 -3.308 -1.933
21 HG2 ARG 3 2HG ARG 3 -8.993 -1.002 -1.376
22 HG3 ARG 3 1HG ARG 3 -8.084 -1.771 -0.076
23 HD2 ARG 3 2HD ARG 3 -6.025 -0.518 -0.987
24 HD3 ARG 3 1HD ARG 3 -7.181 0.448 -1.925
25 HE ARG 3 HE ARG 3 -7.203 0.241 1.066
26 HH11 ARG 3 1HH2 ARG 3 -9.614 1.013 -0.856
27 HH12 ARG 3 2HH2 ARG 3 -9.631 2.725 -0.589
28 HH21 ARG 3 1HH1 ARG 3 -6.529 2.778 0.963
29 HH22 ARG 3 2HH1 ARG 3 -7.884 3.723 0.442
30 H ILE 4 H ILE 4 -4.242 -1.457 -0.571
31 HA ILE 4 HA ILE 4 -4.769 -2.699 2.087
32 HB ILE 4 HB ILE 4 -2.505 -1.176 0.791
33 HG12 ILE 4 2HG1 ILE 4 -2.735 -3.635 0.424
34 HG13 ILE 4 1HG1 ILE 4 -1.260 -3.216 1.297
35 HG21 ILE 4 1HG2 ILE 4 -2.242 -0.245 2.877
36 HG22 ILE 4 2HG2 ILE 4 -1.473 -1.800 3.196
37 HG23 ILE 4 3HG2 ILE 4 -3.147 -1.530 3.677
38 HD11 ILE 4 3HD1 ILE 4 -2.115 -4.997 2.565
39 HD12 ILE 4 1HD1 ILE 4 -3.785 -4.468 2.357
40 HD13 ILE 4 2HD1 ILE 4 -2.707 -3.583 3.437
41 H GLY 5 H GLY 5 -5.137 -1.333 3.933
42 HA2 GLY 5 2HA GLY 5 -6.665 1.059 3.373
43 HA3 GLY 5 1HA GLY 5 -6.264 0.449 4.973
44 HA PRO 6 HA PRO 6 -3.188 3.502 5.445
45 HB2 PRO 6 2HB PRO 6 -1.013 2.192 6.445
46 HB3 PRO 6 1HB PRO 6 -2.485 2.509 7.375
47 HG2 PRO 6 2HG PRO 6 -1.573 0.007 6.065
48 HG3 PRO 6 1HG PRO 6 -2.472 0.225 7.572
49 HD2 PRO 6 2HD PRO 6 -3.598 -0.547 5.181
50 HD3 PRO 6 1HD PRO 6 -4.488 0.226 6.510
51 H CYS 7 H CYS 7 -2.986 1.745 2.798
52 HA CYS 7 HA CYS 7 -0.134 2.269 2.160
53 HB2 CYS 7 2HB CYS 7 -2.372 0.611 1.188
54 HB3 CYS 7 1HB CYS 7 -1.341 1.256 -0.086
55 H ASP 8 H ASP 8 -3.392 3.381 1.527
56 HA ASP 8 HA ASP 8 -2.565 5.306 -0.549
57 HB2 ASP 8 2HB ASP 8 -4.805 4.038 -0.336
58 HB3 ASP 8 1HB ASP 8 -5.173 5.143 0.990
59 H GLN 9 H GLN 9 -2.970 5.062 2.884
60 HA GLN 9 HA GLN 9 -3.023 7.967 3.377
61 HB2 GLN 9 2HB GLN 9 -4.105 5.951 4.684
62 HB3 GLN 9 1HB GLN 9 -2.506 5.811 5.413
63 HG2 GLN 9 2HG GLN 9 -2.606 8.058 6.263
64 HG3 GLN 9 1HG GLN 9 -4.065 8.405 5.334
65 HE21 GLN 9 1HE2 GLN 9 -2.861 7.006 8.296
66 HE22 GLN 9 2HE2 GLN 9 -4.368 6.545 8.927
67 H VAL 10 H VAL 10 -0.775 5.212 3.895
68 HA VAL 10 HA VAL 10 1.407 7.112 4.588
69 HB VAL 10 HB VAL 10 0.771 4.757 5.609
70 HG11 VAL 10 1HG1 VAL 10 1.505 2.869 4.509
71 HG12 VAL 10 2HG1 VAL 10 2.802 3.730 3.679
72 HG13 VAL 10 3HG1 VAL 10 1.140 3.872 3.106
73 HG21 VAL 10 3HG2 VAL 10 2.693 6.118 6.318
74 HG22 VAL 10 1HG2 VAL 10 3.625 5.541 4.936
75 HG23 VAL 10 2HG2 VAL 10 3.153 4.419 6.212
76 H CYS 11 H CYS 11 0.051 6.449 1.794
77 HA CYS 11 HA CYS 11 2.051 5.369 0.065
78 HB2 CYS 11 2HB CYS 11 -0.566 6.197 -0.069
79 HB3 CYS 11 1HB CYS 11 0.250 7.444 -1.010
80 HA PRO 12 HA PRO 12 3.296 9.918 -0.733
81 HB2 PRO 12 2HB PRO 12 2.592 11.792 1.131
82 HB3 PRO 12 1HB PRO 12 1.579 11.385 -0.268
83 HG2 PRO 12 2HG PRO 12 1.299 10.579 2.569
84 HG3 PRO 12 1HG PRO 12 0.053 10.905 1.355
85 HD2 PRO 12 2HD PRO 12 0.864 8.394 2.161
86 HD3 PRO 12 1HD PRO 12 0.032 8.750 0.632
87 H ARG 13 H ARG 13 3.717 8.022 1.932
88 HA ARG 13 HA ARG 13 5.719 9.655 3.343
89 HB2 ARG 13 2HB ARG 13 4.764 6.780 3.530
90 HB3 ARG 13 1HB ARG 13 5.951 7.486 4.628
91 HG2 ARG 13 2HG ARG 13 3.477 9.070 4.258
92 HG3 ARG 13 1HG ARG 13 3.269 7.527 5.087
93 HD2 ARG 13 2HD ARG 13 5.519 8.463 6.330
94 HD3 ARG 13 1HD ARG 13 4.646 9.976 6.011
95 HE ARG 13 HE ARG 13 3.589 7.686 7.596
96 HH11 ARG 13 1HH2 ARG 13 3.874 10.324 8.887
97 HH12 ARG 13 2HH2 ARG 13 2.287 11.001 8.741
98 HH21 ARG 13 1HH1 ARG 13 1.277 8.783 6.275
99 HH22 ARG 13 2HH1 ARG 13 0.817 10.129 7.263
100 H ILE 14 H ILE 14 7.892 8.278 3.769
101 HA ILE 14 HA ILE 14 9.447 8.302 1.424
102 HB ILE 14 HB ILE 14 11.022 6.924 2.810
103 HG12 ILE 14 2HG1 ILE 14 8.575 6.771 4.592
104 HG13 ILE 14 1HG1 ILE 14 9.507 5.430 3.928
105 HG21 ILE 14 1HG2 ILE 14 11.344 8.605 4.490
106 HG22 ILE 14 2HG2 ILE 14 9.644 9.072 4.432
107 HG23 ILE 14 3HG2 ILE 14 10.702 9.424 3.065
108 HD11 ILE 14 3HD1 ILE 14 11.460 6.804 5.248
109 HD12 ILE 14 1HD1 ILE 14 10.549 5.468 5.954
110 HD13 ILE 14 2HD1 ILE 14 10.067 7.134 6.279
111 H VAL 15 H VAL 15 10.755 5.941 1.099
112 HA VAL 15 HA VAL 15 8.820 4.344 -0.410
113 HB VAL 15 HB VAL 15 11.801 4.251 0.083
114 HG11 VAL 15 1HG1 VAL 15 11.068 2.639 -2.143
115 HG12 VAL 15 2HG1 VAL 15 10.068 2.126 -0.785
116 HG13 VAL 15 3HG1 VAL 15 11.825 2.117 -0.638
117 HG21 VAL 15 3HG2 VAL 15 10.189 4.768 -2.435
118 HG22 VAL 15 1HG2 VAL 15 11.924 4.995 -2.221
119 HG23 VAL 15 2HG2 VAL 15 10.787 6.047 -1.378
120 HA PRO 16 HA PRO 16 10.162 1.053 2.802
121 HB2 PRO 16 2HB PRO 16 11.162 1.950 5.190
122 HB3 PRO 16 1HB PRO 16 12.186 1.545 3.798
123 HG2 PRO 16 2HG PRO 16 11.304 4.202 4.789
124 HG3 PRO 16 1HG PRO 16 12.851 3.716 4.079
125 HD2 PRO 16 2HD PRO 16 10.901 5.069 2.730
126 HD3 PRO 16 1HD PRO 16 12.112 4.037 1.941
127 H GLU 17 H GLU 17 8.422 3.889 3.206
128 HA GLU 17 HA GLU 17 6.933 3.018 5.615
129 HB2 GLU 17 2HB GLU 17 7.364 5.442 4.008
130 HB3 GLU 17 1HB GLU 17 5.685 5.235 4.505
131 HG2 GLU 17 2HG GLU 17 7.925 4.881 6.489
132 HG3 GLU 17 1HG GLU 17 7.299 6.487 6.118
133 H ARG 18 H ARG 18 6.831 2.643 2.215
134 HA ARG 18 HA ARG 18 3.911 1.986 2.265
135 HB2 ARG 18 2HB ARG 18 5.340 3.634 0.629
136 HB3 ARG 18 1HB ARG 18 5.419 2.127 -0.284
137 HG2 ARG 18 2HG ARG 18 2.857 1.987 0.183
138 HG3 ARG 18 1HG ARG 18 2.992 3.712 0.529
139 HD2 ARG 18 2HD ARG 18 3.990 2.436 -2.041
140 HD3 ARG 18 1HD ARG 18 2.413 3.235 -1.876
141 HE ARG 18 HE ARG 18 4.402 4.984 -0.832
142 HH11 ARG 18 1HH2 ARG 18 2.431 4.462 -3.472
143 HH12 ARG 18 2HH2 ARG 18 3.376 5.382 -4.596
144 HH21 ARG 18 1HH1 ARG 18 6.040 5.801 -2.418
145 HH22 ARG 18 2HH1 ARG 18 5.418 6.141 -3.998
146 H HIS 19 H HIS 19 7.105 0.782 1.187
147 HA HIS 19 HA HIS 19 6.285 -1.697 0.079
148 HB2 HIS 19 2HB HIS 19 8.639 -0.324 0.707
149 HB3 HIS 19 1HB HIS 19 8.749 -1.809 1.651
150 HD1 HIS 19 1HD HIS 19 7.090 -3.543 -0.476
151 HD2 HIS 19 2HD HIS 19 10.449 -1.211 -1.289
152 HE1 HIS 19 1HE HIS 19 8.116 -4.479 -2.595
153 H GLU 20 H GLU 20 6.692 -0.700 3.443
154 HA GLU 20 HA GLU 20 6.349 -3.440 4.477
155 HB2 GLU 20 2HB GLU 20 7.806 -2.035 5.712
156 HB3 GLU 20 1HB GLU 20 6.701 -0.663 5.617
157 HG2 GLU 20 2HG GLU 20 5.181 -1.656 7.170
158 HG3 GLU 20 1HG GLU 20 5.989 -3.222 7.066
159 H CYS 21 H CYS 21 4.370 -0.720 3.638
160 HA CYS 21 HA CYS 21 2.145 -1.047 5.372
161 HB2 CYS 21 2HB CYS 21 2.382 0.874 3.941
162 HB3 CYS 21 1HB CYS 21 2.458 -0.136 2.498
163 H CYS 22 H CYS 22 2.887 -2.602 2.242
164 HA CYS 22 HA CYS 22 0.432 -4.182 2.233
165 HB2 CYS 22 2HB CYS 22 2.879 -3.776 0.597
166 HB3 CYS 22 1HB CYS 22 2.103 -5.352 0.431
167 H ARG 23 H ARG 23 3.843 -4.755 3.073
168 HA ARG 23 HA ARG 23 3.621 -7.586 3.525
169 HB2 ARG 23 2HB ARG 23 5.505 -5.383 3.892
170 HB3 ARG 23 1HB ARG 23 5.616 -6.564 5.196
171 HG2 ARG 23 2HG ARG 23 5.397 -8.156 2.941
172 HG3 ARG 23 1HG ARG 23 6.403 -6.818 2.385
173 HD2 ARG 23 2HD ARG 23 7.559 -7.285 4.800
174 HD3 ARG 23 1HD ARG 23 7.018 -8.924 4.385
175 HE ARG 23 HE ARG 23 8.392 -7.385 2.257
176 HH11 ARG 23 1HH2 ARG 23 9.627 -8.736 4.965
177 HH12 ARG 23 2HH2 ARG 23 10.475 -10.035 4.196
178 HH21 ARG 23 1HH1 ARG 23 8.966 -9.546 1.112
179 HH22 ARG 23 2HH1 ARG 23 10.102 -10.493 2.014
180 H ALA 24 H ALA 24 2.643 -4.815 5.387
181 HA ALA 24 HA ALA 24 2.530 -6.263 7.950
182 HB1 ALA 24 3HB ALA 24 2.185 -4.147 8.806
183 HB2 ALA 24 1HB ALA 24 1.135 -3.671 7.472
184 HB3 ALA 24 2HB ALA 24 2.885 -3.684 7.254
185 H HIS 25 H HIS 25 0.482 -5.746 5.208
186 HA HIS 25 HA HIS 25 -1.923 -6.609 6.775
187 HB2 HIS 25 2HB HIS 25 -1.402 -4.924 4.350
188 HB3 HIS 25 1HB HIS 25 -2.954 -5.753 4.477
189 HD1 HIS 25 1HD HIS 25 -0.754 -3.515 6.656
190 HD2 HIS 25 2HD HIS 25 -4.784 -4.356 5.999
191 HE1 HIS 25 1HE HIS 25 -2.068 -1.919 8.120
192 H GLY 26 H GLY 26 0.177 -8.464 5.836
193 HA2 GLY 26 2HA GLY 26 0.404 -10.442 4.581
194 HA3 GLY 26 1HA GLY 26 -1.333 -10.592 4.851
195 H ARG 27 H ARG 27 0.778 -8.508 2.836
196 HA ARG 27 HA ARG 27 -1.087 -9.057 0.548
197 HB2 ARG 27 2HB ARG 27 -0.309 -6.671 1.834
198 HB3 ARG 27 1HB ARG 27 0.550 -6.678 0.294
199 HG2 ARG 27 2HG ARG 27 -1.722 -5.626 0.154
200 HG3 ARG 27 1HG ARG 27 -1.526 -7.008 -0.923
201 HD2 ARG 27 2HD ARG 27 -2.461 -7.863 1.700
202 HD3 ARG 27 1HD ARG 27 -3.567 -6.684 0.967
203 HE ARG 27 HE ARG 27 -3.109 -8.258 -1.165
204 HH11 ARG 27 1HH2 ARG 27 -4.925 -8.614 1.579
205 HH12 ARG 27 2HH2 ARG 27 -5.089 -10.336 1.486
206 HH21 ARG 27 1HH1 ARG 27 -2.759 -10.688 -1.057
207 HH22 ARG 27 2HH1 ARG 27 -3.864 -11.510 -0.006
208 H SER 28 H SER 28 0.743 -7.697 -1.296
209 HA SER 28 HA SER 28 2.907 -9.772 -1.448
210 HB2 SER 28 2HB SER 28 2.601 -8.985 -3.991
211 HB3 SER 28 1HB SER 28 1.557 -10.210 -3.275
212 HG SER 28 HG SER 28 -0.004 -8.692 -2.963
213 H GLY 29 H GLY 29 2.569 -6.936 -3.504
214 HA2 GLY 29 2HA GLY 29 4.782 -5.564 -2.080
215 HA3 GLY 29 1HA GLY 29 5.044 -6.002 -3.769
216 H TYR 30 H TYR 30 4.560 -3.349 -2.187
217 HA TYR 30 HA TYR 30 2.215 -2.037 -2.822
218 HB2 TYR 30 2HB TYR 30 3.548 -0.041 -2.759
219 HB3 TYR 30 1HB TYR 30 4.364 -1.204 -1.716
220 HD1 TYR 30 2HD TYR 30 6.225 -2.659 -2.794
221 HD2 TYR 30 1HD TYR 30 4.700 0.953 -4.548
222 HE1 TYR 30 2HE TYR 30 8.268 -2.472 -4.188
223 HE2 TYR 30 1HE TYR 30 6.744 1.140 -5.941
224 HH TYR 30 HH TYR 30 8.507 -0.553 -6.851
225 H ALA 31 H ALA 31 1.099 -1.825 -4.723
226 HA ALA 31 HA ALA 31 2.520 -2.258 -7.303
227 HB1 ALA 31 3HB ALA 31 0.110 -3.096 -6.271
228 HB2 ALA 31 1HB ALA 31 0.496 -3.060 -7.991
229 HB3 ALA 31 2HB ALA 31 -0.382 -1.719 -7.256
230 H TYR 32 H TYR 32 0.015 -0.020 -6.080
231 HA TYR 32 HA TYR 32 1.373 2.378 -6.934
232 HB2 TYR 32 2HB TYR 32 -0.287 2.684 -8.917
233 HB3 TYR 32 1HB TYR 32 1.073 1.585 -9.149
234 HD1 TYR 32 2HD TYR 32 -2.541 1.730 -8.261
235 HD2 TYR 32 1HD TYR 32 0.728 -0.760 -9.518
236 HE1 TYR 32 2HE TYR 32 -4.124 -0.123 -8.697
237 HE2 TYR 32 1HE TYR 32 -0.858 -2.614 -9.952
238 HH TYR 32 HH TYR 32 -3.054 -3.340 -9.322
239 H CYS 33 H CYS 33 0.094 4.253 -6.418
240 HA CYS 33 HA CYS 33 -2.263 3.680 -4.706
241 HB2 CYS 33 2HB CYS 33 -0.091 5.546 -4.808
242 HB3 CYS 33 1HB CYS 33 -1.600 6.454 -4.882
243 H SER 34 H SER 34 -4.199 3.644 -5.777
244 HA SER 34 HA SER 34 -4.564 5.404 -8.164
245 HB2 SER 34 2HB SER 34 -5.763 3.650 -8.982
246 HB3 SER 34 1HB SER 34 -5.046 2.723 -7.667
247 HG SER 34 HG SER 34 -7.598 3.827 -7.925
248 H GLY 35 H GLY 35 -6.693 6.509 -8.349
249 HA2 GLY 35 2HA GLY 35 -7.361 8.025 -6.031
250 HA3 GLY 35 1HA GLY 35 -8.348 7.935 -7.492
251 H GLY 36 H GLY 36 -8.509 7.394 -4.273
252 HA2 GLY 36 2HA GLY 36 -10.697 6.523 -3.449
253 HA3 GLY 36 1HA GLY 36 -10.539 5.225 -4.633
254 H GLY 37 H GLY 37 -7.598 4.991 -4.025
255 HA2 GLY 37 2HA GLY 37 -6.984 4.463 -1.365
256 HA3 GLY 37 1HA GLY 37 -7.851 3.025 -1.906
257 H MET 38 H MET 38 -5.346 2.487 -1.215
258 HA MET 38 HA MET 38 -3.561 2.744 -3.572
259 HB2 MET 38 2HB MET 38 -3.031 3.017 -1.010
260 HB3 MET 38 1HB MET 38 -2.960 1.254 -1.029
261 HG2 MET 38 2HG MET 38 -1.488 2.701 -3.181
262 HG3 MET 38 1HG MET 38 -0.805 2.758 -1.556
263 HE1 MET 38 3HE MET 38 0.907 1.136 -0.879
264 HE2 MET 38 1HE MET 38 1.282 1.685 -2.518
265 HE3 MET 38 2HE MET 38 1.496 -0.009 -2.082
266 H TYR 39 H TYR 39 -2.449 0.706 -4.330
267 HA TYR 39 HA TYR 39 -4.125 -1.745 -3.964
268 HB2 TYR 39 2HB TYR 39 -3.263 -0.375 -6.526
269 HB3 TYR 39 1HB TYR 39 -3.908 -2.017 -6.481
270 HD1 TYR 39 1HD TYR 39 -4.684 1.498 -5.471
271 HD2 TYR 39 2HD TYR 39 -6.233 -2.391 -6.428
272 HE1 TYR 39 1HE TYR 39 -6.992 2.402 -5.407
273 HE2 TYR 39 2HE TYR 39 -8.542 -1.489 -6.366
274 HH TYR 39 HH TYR 39 -9.716 0.479 -5.243
275 H CYS 40 H CYS 40 -2.935 -3.659 -4.001
276 HA CYS 40 HA CYS 40 0.036 -3.368 -4.334
277 HB2 CYS 40 2HB CYS 40 -1.451 -4.100 -2.137
278 HB3 CYS 40 1HB CYS 40 -1.050 -5.668 -2.838
279 H ASN 41 H ASN 41 0.893 -5.859 -4.655
280 HA ASN 41 HA ASN 41 -0.186 -6.671 -7.262
281 HB2 ASN 41 2HB ASN 41 2.184 -7.093 -5.564
282 HB3 ASN 41 1HB ASN 41 1.718 -8.516 -6.498
283 HD21 ASN 41 1HD2 ASN 41 4.113 -7.277 -7.203
284 HD22 ASN 41 2HD2 ASN 41 3.932 -6.452 -8.676
Start of MODEL 20
1 H1 ALA 1 1HT ALA 1 -4.251 -8.539 -7.803
2 H2 ALA 1 2HT ALA 1 -2.862 -8.113 -8.683
3 H3 ALA 1 3HT ALA 1 -4.339 -7.331 -8.990
4 HA ALA 1 HA ALA 1 -2.447 -6.931 -6.785
5 HB1 ALA 1 3HB ALA 1 -2.323 -5.112 -8.143
6 HB2 ALA 1 1HB ALA 1 -3.868 -4.639 -7.438
7 HB3 ALA 1 2HB ALA 1 -3.829 -5.528 -8.960
8 H VAL 2 H VAL 2 -3.371 -5.562 -4.950
9 HA VAL 2 HA VAL 2 -6.200 -6.330 -4.321
10 HB VAL 2 HB VAL 2 -5.411 -6.778 -2.019
11 HG11 VAL 2 1HG1 VAL 2 -4.208 -8.197 -4.370
12 HG12 VAL 2 2HG1 VAL 2 -5.419 -8.766 -3.221
13 HG13 VAL 2 3HG1 VAL 2 -3.723 -8.682 -2.745
14 HG21 VAL 2 3HG2 VAL 2 -3.113 -5.347 -2.985
15 HG22 VAL 2 1HG2 VAL 2 -2.603 -6.950 -2.456
16 HG23 VAL 2 2HG2 VAL 2 -3.457 -5.885 -1.341
17 H ARG 3 H ARG 3 -6.019 -5.031 -1.716
18 HA ARG 3 HA ARG 3 -5.446 -2.187 -2.340
19 HB2 ARG 3 2HB ARG 3 -7.640 -2.203 -3.048
20 HB3 ARG 3 1HB ARG 3 -8.073 -3.565 -2.034
21 HG2 ARG 3 2HG ARG 3 -9.147 -1.427 -1.303
22 HG3 ARG 3 1HG ARG 3 -8.134 -2.154 -0.058
23 HD2 ARG 3 2HD ARG 3 -6.249 -0.626 -0.891
24 HD3 ARG 3 1HD ARG 3 -7.502 0.238 -1.806
25 HE ARG 3 HE ARG 3 -7.268 0.154 1.136
26 HH11 ARG 3 1HH1 ARG 3 -10.098 -0.479 0.044
27 HH12 ARG 3 2HH1 ARG 3 -10.817 1.095 0.122
28 HH21 ARG 3 1HH2 ARG 3 -7.792 2.747 0.510
29 HH22 ARG 3 2HH2 ARG 3 -9.511 2.921 0.385
30 H ILE 4 H ILE 4 -4.288 -1.501 -0.582
31 HA ILE 4 HA ILE 4 -4.793 -2.762 2.076
32 HB ILE 4 HB ILE 4 -2.523 -1.263 0.767
33 HG12 ILE 4 2HG1 ILE 4 -2.758 -3.723 0.438
34 HG13 ILE 4 1HG1 ILE 4 -1.291 -3.307 1.326
35 HG21 ILE 4 1HG2 ILE 4 -3.168 -1.551 3.658
36 HG22 ILE 4 2HG2 ILE 4 -2.239 -0.298 2.833
37 HG23 ILE 4 3HG2 ILE 4 -1.497 -1.859 3.187
38 HD11 ILE 4 3HD1 ILE 4 -3.807 -4.596 2.322
39 HD12 ILE 4 1HD1 ILE 4 -2.865 -3.602 3.433
40 HD13 ILE 4 2HD1 ILE 4 -2.127 -5.009 2.668
41 H GLY 5 H GLY 5 -5.080 -1.377 3.937
42 HA2 GLY 5 2HA GLY 5 -6.648 0.998 3.400
43 HA3 GLY 5 1HA GLY 5 -6.201 0.400 4.993
44 HA PRO 6 HA PRO 6 -3.149 3.489 5.352
45 HB2 PRO 6 2HB PRO 6 -0.984 2.214 6.414
46 HB3 PRO 6 1HB PRO 6 -2.462 2.564 7.321
47 HG2 PRO 6 2HG PRO 6 -1.534 0.016 6.121
48 HG3 PRO 6 1HG PRO 6 -2.466 0.292 7.599
49 HD2 PRO 6 2HD PRO 6 -3.530 -0.564 5.198
50 HD3 PRO 6 1HD PRO 6 -4.454 0.219 6.496
51 H CYS 7 H CYS 7 -2.965 1.720 2.748
52 HA CYS 7 HA CYS 7 -0.094 2.143 2.112
53 HB2 CYS 7 2HB CYS 7 -2.376 0.540 1.155
54 HB3 CYS 7 1HB CYS 7 -1.354 1.172 -0.132
55 H ASP 8 H ASP 8 -3.309 3.368 1.502
56 HA ASP 8 HA ASP 8 -2.428 5.251 -0.596
57 HB2 ASP 8 2HB ASP 8 -4.832 5.922 -0.455
58 HB3 ASP 8 1HB ASP 8 -4.655 4.178 -0.654
59 H GLN 9 H GLN 9 -2.951 5.056 2.839
60 HA GLN 9 HA GLN 9 -2.915 7.958 3.305
61 HB2 GLN 9 2HB GLN 9 -3.839 5.714 4.624
62 HB3 GLN 9 1HB GLN 9 -2.372 6.095 5.527
63 HG2 GLN 9 2HG GLN 9 -3.134 8.345 5.957
64 HG3 GLN 9 1HG GLN 9 -4.513 8.136 4.876
65 HE21 GLN 9 1HE2 GLN 9 -5.655 5.770 5.601
66 HE22 GLN 9 2HE2 GLN 9 -6.082 5.763 7.244
67 H VAL 10 H VAL 10 -0.716 5.164 3.790
68 HA VAL 10 HA VAL 10 1.496 7.009 4.533
69 HB VAL 10 HB VAL 10 0.821 4.632 5.491
70 HG11 VAL 10 1HG1 VAL 10 2.783 3.773 3.363
71 HG12 VAL 10 2HG1 VAL 10 1.042 3.677 3.095
72 HG13 VAL 10 3HG1 VAL 10 1.783 2.761 4.408
73 HG21 VAL 10 3HG2 VAL 10 2.738 5.924 6.281
74 HG22 VAL 10 1HG2 VAL 10 3.674 5.455 4.863
75 HG23 VAL 10 2HG2 VAL 10 3.222 4.243 6.061
76 H CYS 11 H CYS 11 0.122 6.384 1.717
77 HA CYS 11 HA CYS 11 2.139 5.341 -0.017
78 HB2 CYS 11 2HB CYS 11 -0.478 6.082 -0.165
79 HB3 CYS 11 1HB CYS 11 0.282 7.425 -1.017
80 HA PRO 12 HA PRO 12 3.357 9.899 -0.755
81 HB2 PRO 12 2HB PRO 12 2.531 11.773 1.056
82 HB3 PRO 12 1HB PRO 12 1.586 11.329 -0.378
83 HG2 PRO 12 2HG PRO 12 1.199 10.557 2.454
84 HG3 PRO 12 1HG PRO 12 0.002 10.821 1.177
85 HD2 PRO 12 2HD PRO 12 0.873 8.351 2.075
86 HD3 PRO 12 1HD PRO 12 0.064 8.650 0.523
87 H ARG 13 H ARG 13 3.718 8.012 1.910
88 HA ARG 13 HA ARG 13 5.609 9.696 3.418
89 HB2 ARG 13 2HB ARG 13 4.658 6.822 3.579
90 HB3 ARG 13 1HB ARG 13 5.817 7.516 4.714
91 HG2 ARG 13 2HG ARG 13 3.213 8.926 4.196
92 HG3 ARG 13 1HG ARG 13 3.262 7.558 5.309
93 HD2 ARG 13 2HD ARG 13 4.896 8.661 6.712
94 HD3 ARG 13 1HD ARG 13 5.104 9.964 5.526
95 HE ARG 13 HE ARG 13 2.330 9.601 6.377
96 HH11 ARG 13 1HH2 ARG 13 4.474 11.960 5.750
97 HH12 ARG 13 2HH2 ARG 13 4.201 12.903 7.177
98 HH21 ARG 13 1HH1 ARG 13 2.351 10.442 8.772
99 HH22 ARG 13 2HH1 ARG 13 3.001 12.044 8.888
100 H ILE 14 H ILE 14 7.736 8.220 3.999
101 HA ILE 14 HA ILE 14 9.472 8.333 1.787
102 HB ILE 14 HB ILE 14 10.912 6.862 3.224
103 HG12 ILE 14 2HG1 ILE 14 8.335 6.672 4.809
104 HG13 ILE 14 1HG1 ILE 14 9.279 5.345 4.136
105 HG21 ILE 14 1HG2 ILE 14 10.639 9.340 3.582
106 HG22 ILE 14 2HG2 ILE 14 11.090 8.446 5.034
107 HG23 ILE 14 3HG2 ILE 14 9.422 8.970 4.803
108 HD11 ILE 14 3HD1 ILE 14 9.777 6.978 6.576
109 HD12 ILE 14 1HD1 ILE 14 11.191 6.490 5.641
110 HD13 ILE 14 2HD1 ILE 14 10.094 5.267 6.282
111 H VAL 15 H VAL 15 10.775 5.959 1.476
112 HA VAL 15 HA VAL 15 8.970 4.476 -0.287
113 HB VAL 15 HB VAL 15 11.888 4.304 0.481
114 HG11 VAL 15 1HG1 VAL 15 10.216 2.526 -1.298
115 HG12 VAL 15 2HG1 VAL 15 11.352 2.053 -0.035
116 HG13 VAL 15 3HG1 VAL 15 11.951 2.715 -1.557
117 HG21 VAL 15 3HG2 VAL 15 12.218 5.657 -1.307
118 HG22 VAL 15 1HG2 VAL 15 10.482 5.966 -1.253
119 HG23 VAL 15 2HG2 VAL 15 11.122 4.713 -2.316
120 HA PRO 16 HA PRO 16 9.972 1.002 2.860
121 HB2 PRO 16 2HB PRO 16 10.729 1.764 5.381
122 HB3 PRO 16 1HB PRO 16 11.886 1.416 4.081
123 HG2 PRO 16 2HG PRO 16 10.923 4.033 5.106
124 HG3 PRO 16 1HG PRO 16 12.534 3.563 4.544
125 HD2 PRO 16 2HD PRO 16 10.766 5.005 3.057
126 HD3 PRO 16 1HD PRO 16 12.032 3.977 2.352
127 H GLU 17 H GLU 17 8.236 3.851 3.275
128 HA GLU 17 HA GLU 17 6.510 2.889 5.471
129 HB2 GLU 17 2HB GLU 17 7.162 5.355 4.102
130 HB3 GLU 17 1HB GLU 17 5.412 5.131 4.128
131 HG2 GLU 17 2HG GLU 17 6.143 6.323 6.148
132 HG3 GLU 17 1HG GLU 17 5.513 4.731 6.574
133 H ARG 18 H ARG 18 6.735 2.609 2.063
134 HA ARG 18 HA ARG 18 3.832 1.941 1.793
135 HB2 ARG 18 2HB ARG 18 5.583 3.492 0.300
136 HB3 ARG 18 1HB ARG 18 5.527 1.979 -0.605
137 HG2 ARG 18 2HG ARG 18 2.957 2.139 -0.323
138 HG3 ARG 18 1HG ARG 18 3.251 3.827 0.098
139 HD2 ARG 18 2HD ARG 18 4.336 2.570 -2.442
140 HD3 ARG 18 1HD ARG 18 2.784 3.429 -2.373
141 HE ARG 18 HE ARG 18 4.330 5.283 -1.230
142 HH11 ARG 18 1HH2 ARG 18 4.541 3.522 -4.158
143 HH12 ARG 18 2HH2 ARG 18 5.846 4.463 -4.799
144 HH21 ARG 18 1HH1 ARG 18 6.233 6.370 -1.930
145 HH22 ARG 18 2HH1 ARG 18 6.804 6.074 -3.538
146 H HIS 19 H HIS 19 7.076 0.720 0.838
147 HA HIS 19 HA HIS 19 6.288 -1.792 -0.186
148 HB2 HIS 19 2HB HIS 19 8.673 -0.453 0.846
149 HB3 HIS 19 1HB HIS 19 8.707 -2.190 1.152
150 HD1 HIS 19 1HD HIS 19 8.018 -3.680 -1.096
151 HD2 HIS 19 2HD HIS 19 9.468 0.180 -1.718
152 HE1 HIS 19 1HE HIS 19 8.771 -3.578 -3.512
153 H GLU 20 H GLU 20 6.897 -0.813 3.186
154 HA GLU 20 HA GLU 20 6.484 -3.504 4.248
155 HB2 GLU 20 2HB GLU 20 7.769 -1.291 5.084
156 HB3 GLU 20 1HB GLU 20 6.236 -1.048 5.924
157 HG2 GLU 20 2HG GLU 20 6.426 -3.118 7.087
158 HG3 GLU 20 1HG GLU 20 7.730 -3.674 6.037
159 H CYS 21 H CYS 21 4.446 -0.815 3.406
160 HA CYS 21 HA CYS 21 2.259 -1.185 5.185
161 HB2 CYS 21 2HB CYS 21 2.458 0.749 3.757
162 HB3 CYS 21 1HB CYS 21 2.476 -0.258 2.309
163 H CYS 22 H CYS 22 2.999 -2.766 2.068
164 HA CYS 22 HA CYS 22 0.530 -4.304 2.018
165 HB2 CYS 22 2HB CYS 22 3.101 -4.119 0.504
166 HB3 CYS 22 1HB CYS 22 2.141 -5.584 0.304
167 H ARG 23 H ARG 23 3.811 -4.845 3.223
168 HA ARG 23 HA ARG 23 3.414 -7.699 3.716
169 HB2 ARG 23 2HB ARG 23 5.463 -5.666 4.660
170 HB3 ARG 23 1HB ARG 23 5.616 -7.411 4.864
171 HG2 ARG 23 2HG ARG 23 5.050 -7.203 2.181
172 HG3 ARG 23 1HG ARG 23 6.029 -5.764 2.461
173 HD2 ARG 23 2HD ARG 23 6.993 -8.317 3.682
174 HD3 ARG 23 1HD ARG 23 7.175 -8.123 1.927
175 HE ARG 23 HE ARG 23 8.403 -6.371 3.989
176 HH11 ARG 23 1HH2 ARG 23 7.202 -6.047 0.884
177 HH12 ARG 23 2HH2 ARG 23 8.691 -5.530 0.166
178 HH21 ARG 23 1HH1 ARG 23 10.588 -6.188 2.994
179 HH22 ARG 23 2HH1 ARG 23 10.609 -5.611 1.361
180 H ALA 24 H ALA 24 2.612 -4.774 5.377
181 HA ALA 24 HA ALA 24 2.551 -6.002 8.056
182 HB1 ALA 24 3HB ALA 24 1.212 -3.575 8.134
183 HB2 ALA 24 1HB ALA 24 2.331 -3.362 6.787
184 HB3 ALA 24 2HB ALA 24 2.945 -3.788 8.385
185 H HIS 25 H HIS 25 0.399 -5.592 5.359
186 HA HIS 25 HA HIS 25 -1.932 -6.361 7.088
187 HB2 HIS 25 2HB HIS 25 -1.504 -4.560 4.761
188 HB3 HIS 25 1HB HIS 25 -3.020 -5.462 4.772
189 HD1 HIS 25 1HD HIS 25 -1.045 -2.995 6.857
190 HD2 HIS 25 2HD HIS 25 -4.895 -4.583 6.669
191 HE1 HIS 25 1HE HIS 25 -2.452 -1.659 8.485
192 H GLY 26 H GLY 26 0.072 -8.227 5.940
193 HA2 GLY 26 2HA GLY 26 0.133 -10.231 4.719
194 HA3 GLY 26 1HA GLY 26 -1.607 -10.286 5.010
195 H ARG 27 H ARG 27 0.780 -8.688 2.879
196 HA ARG 27 HA ARG 27 -1.132 -9.090 0.617
197 HB2 ARG 27 2HB ARG 27 -0.585 -6.664 1.963
198 HB3 ARG 27 1HB ARG 27 0.272 -6.567 0.424
199 HG2 ARG 27 2HG ARG 27 -1.946 -5.723 0.036
200 HG3 ARG 27 1HG ARG 27 -1.874 -7.327 -0.698
201 HD2 ARG 27 2HD ARG 27 -2.698 -7.335 2.141
202 HD3 ARG 27 1HD ARG 27 -3.844 -6.547 1.038
203 HE ARG 27 HE ARG 27 -2.952 -8.933 -0.216
204 HH11 ARG 27 1HH1 ARG 27 -5.664 -7.706 1.123
205 HH12 ARG 27 2HH1 ARG 27 -6.266 -9.182 1.799
206 HH21 ARG 27 1HH2 ARG 27 -3.323 -10.937 1.263
207 HH22 ARG 27 2HH2 ARG 27 -4.941 -11.011 1.879
208 H SER 28 H SER 28 0.577 -7.558 -1.181
209 HA SER 28 HA SER 28 2.971 -9.366 -1.280
210 HB2 SER 28 2HB SER 28 2.664 -9.338 -3.696
211 HB3 SER 28 1HB SER 28 1.124 -9.748 -2.946
212 HG SER 28 HG SER 28 0.340 -7.823 -3.475
213 H GLY 29 H GLY 29 3.550 -7.562 -3.791
214 HA2 GLY 29 2HA GLY 29 5.124 -5.576 -2.262
215 HA3 GLY 29 1HA GLY 29 5.349 -5.979 -3.964
216 H TYR 30 H TYR 30 4.667 -3.400 -2.310
217 HA TYR 30 HA TYR 30 2.164 -2.350 -2.903
218 HB2 TYR 30 2HB TYR 30 3.230 -0.235 -2.661
219 HB3 TYR 30 1HB TYR 30 4.233 -1.349 -1.732
220 HD1 TYR 30 1HD TYR 30 5.963 -2.690 -3.475
221 HD2 TYR 30 2HD TYR 30 4.467 1.317 -3.869
222 HE1 TYR 30 1HE TYR 30 7.918 -2.099 -4.883
223 HE2 TYR 30 2HE TYR 30 6.421 1.909 -5.275
224 HH TYR 30 HH TYR 30 9.099 0.537 -5.371
225 H ALA 31 H ALA 31 1.076 -1.866 -4.777
226 HA ALA 31 HA ALA 31 2.489 -2.255 -7.370
227 HB1 ALA 31 3HB ALA 31 -0.449 -1.716 -6.961
228 HB2 ALA 31 1HB ALA 31 0.222 -3.300 -6.571
229 HB3 ALA 31 2HB ALA 31 0.329 -2.677 -8.218
230 H TYR 32 H TYR 32 0.110 0.015 -5.976
231 HA TYR 32 HA TYR 32 1.515 2.389 -6.829
232 HB2 TYR 32 2HB TYR 32 -0.266 2.844 -8.671
233 HB3 TYR 32 1HB TYR 32 1.020 1.697 -9.045
234 HD1 TYR 32 1HD TYR 32 -2.545 2.049 -8.136
235 HD2 TYR 32 2HD TYR 32 0.570 -0.699 -9.241
236 HE1 TYR 32 1HE TYR 32 -4.241 0.292 -8.539
237 HE2 TYR 32 2HE TYR 32 -1.130 -2.455 -9.643
238 HH TYR 32 HH TYR 32 -3.571 -2.560 -10.204
239 H CYS 33 H CYS 33 -0.321 4.265 -6.972
240 HA CYS 33 HA CYS 33 -2.312 3.711 -4.794
241 HB2 CYS 33 2HB CYS 33 -0.078 5.502 -4.940
242 HB3 CYS 33 1HB CYS 33 -1.554 6.464 -4.877
243 H SER 34 H SER 34 -4.317 3.826 -5.715
244 HA SER 34 HA SER 34 -4.753 5.730 -7.981
245 HB2 SER 34 2HB SER 34 -5.923 4.008 -8.875
246 HB3 SER 34 1HB SER 34 -5.320 3.011 -7.552
247 HG SER 34 HG SER 34 -7.790 3.609 -8.023
248 H GLY 35 H GLY 35 -6.512 7.206 -7.863
249 HA2 GLY 35 2HA GLY 35 -7.151 8.398 -5.420
250 HA3 GLY 35 1HA GLY 35 -8.193 8.500 -6.841
251 H GLY 36 H GLY 36 -8.372 7.752 -3.707
252 HA2 GLY 36 2HA GLY 36 -10.562 6.868 -2.921
253 HA3 GLY 36 1HA GLY 36 -10.440 5.644 -4.187
254 H GLY 37 H GLY 37 -7.792 4.827 -3.876
255 HA2 GLY 37 2HA GLY 37 -7.040 4.288 -1.164
256 HA3 GLY 37 1HA GLY 37 -7.958 2.920 -1.798
257 H MET 38 H MET 38 -5.348 2.453 -1.136
258 HA MET 38 HA MET 38 -3.716 2.690 -3.609
259 HB2 MET 38 2HB MET 38 -2.995 3.146 -1.158
260 HB3 MET 38 1HB MET 38 -2.966 1.390 -0.991
261 HG2 MET 38 2HG MET 38 -1.565 2.610 -3.336
262 HG3 MET 38 1HG MET 38 -0.795 2.724 -1.754
263 HE1 MET 38 3HE MET 38 1.370 0.729 -1.970
264 HE2 MET 38 1HE MET 38 0.868 1.795 -3.290
265 HE3 MET 38 2HE MET 38 1.149 0.082 -3.594
266 H TYR 39 H TYR 39 -2.601 0.671 -4.377
267 HA TYR 39 HA TYR 39 -4.157 -1.818 -3.794
268 HB2 TYR 39 2HB TYR 39 -3.374 -0.637 -6.476
269 HB3 TYR 39 1HB TYR 39 -4.093 -2.234 -6.266
270 HD1 TYR 39 2HD TYR 39 -4.660 1.408 -5.765
271 HD2 TYR 39 1HD TYR 39 -6.428 -2.504 -5.881
272 HE1 TYR 39 2HE TYR 39 -6.921 2.428 -5.704
273 HE2 TYR 39 1HE TYR 39 -8.688 -1.487 -5.820
274 HH TYR 39 HH TYR 39 -9.210 1.782 -5.046
275 H CYS 40 H CYS 40 -2.924 -3.752 -3.985
276 HA CYS 40 HA CYS 40 0.037 -3.327 -4.245
277 HB2 CYS 40 2HB CYS 40 -1.331 -4.143 -2.078
278 HB3 CYS 40 1HB CYS 40 -1.139 -5.704 -2.875
279 H ASN 41 H ASN 41 0.993 -5.768 -4.675
280 HA ASN 41 HA ASN 41 -0.032 -6.485 -7.340
281 HB2 ASN 41 2HB ASN 41 2.304 -7.266 -5.588
282 HB3 ASN 41 1HB ASN 41 1.992 -8.080 -7.121
283 HD21 ASN 41 1HD2 ASN 41 3.590 -7.209 -8.493
284 HD22 ASN 41 2HD2 ASN 41 3.817 -5.547 -8.754
Start of MODEL 21
1 H1 ALA 1 1HT ALA 1 -5.123 -7.982 -9.182
2 H2 ALA 1 2HT ALA 1 -6.172 -8.386 -7.908
3 H3 ALA 1 3HT ALA 1 -4.528 -8.807 -7.825
4 HA ALA 1 HA ALA 1 -3.844 -6.678 -7.333
5 HB1 ALA 1 3HB ALA 1 -6.320 -6.048 -8.926
6 HB2 ALA 1 1HB ALA 1 -4.652 -5.572 -9.244
7 HB3 ALA 1 2HB ALA 1 -5.560 -4.793 -7.948
8 H VAL 2 H VAL 2 -4.225 -5.576 -5.348
9 HA VAL 2 HA VAL 2 -6.799 -6.215 -3.956
10 HB VAL 2 HB VAL 2 -5.209 -6.409 -1.897
11 HG11 VAL 2 1HG1 VAL 2 -5.976 -8.503 -2.248
12 HG12 VAL 2 2HG1 VAL 2 -4.486 -8.791 -3.146
13 HG13 VAL 2 3HG1 VAL 2 -5.948 -8.297 -3.999
14 HG21 VAL 2 3HG2 VAL 2 -3.136 -7.388 -3.767
15 HG22 VAL 2 1HG2 VAL 2 -2.958 -6.531 -2.235
16 HG23 VAL 2 2HG2 VAL 2 -3.315 -5.635 -3.712
17 H ARG 3 H ARG 3 -6.399 -4.856 -1.625
18 HA ARG 3 HA ARG 3 -5.499 -2.103 -2.297
19 HB2 ARG 3 2HB ARG 3 -7.710 -1.910 -2.965
20 HB3 ARG 3 1HB ARG 3 -8.264 -3.158 -1.861
21 HG2 ARG 3 2HG ARG 3 -9.021 -0.840 -1.236
22 HG3 ARG 3 1HG ARG 3 -8.107 -1.659 0.028
23 HD2 ARG 3 2HD ARG 3 -6.031 -0.461 -0.910
24 HD3 ARG 3 1HD ARG 3 -7.174 0.556 -1.808
25 HE ARG 3 HE ARG 3 -7.198 0.278 1.178
26 HH11 ARG 3 1HH2 ARG 3 -9.525 1.337 -0.674
27 HH12 ARG 3 2HH2 ARG 3 -9.358 3.037 -0.382
28 HH21 ARG 3 1HH1 ARG 3 -6.233 2.748 1.092
29 HH22 ARG 3 2HH1 ARG 3 -7.496 3.835 0.617
30 H ILE 4 H ILE 4 -4.294 -1.448 -0.563
31 HA ILE 4 HA ILE 4 -4.759 -2.706 2.099
32 HB ILE 4 HB ILE 4 -2.524 -1.187 0.748
33 HG12 ILE 4 2HG1 ILE 4 -2.858 -3.685 0.446
34 HG13 ILE 4 1HG1 ILE 4 -1.291 -3.225 1.114
35 HG21 ILE 4 1HG2 ILE 4 -2.213 -0.256 2.832
36 HG22 ILE 4 2HG2 ILE 4 -1.415 -1.805 3.113
37 HG23 ILE 4 3HG2 ILE 4 -3.076 -1.556 3.654
38 HD11 ILE 4 3HD1 ILE 4 -2.133 -5.065 2.432
39 HD12 ILE 4 1HD1 ILE 4 -3.691 -4.267 2.641
40 HD13 ILE 4 2HD1 ILE 4 -2.251 -3.606 3.415
41 H GLY 5 H GLY 5 -5.093 -1.368 3.959
42 HA2 GLY 5 2HA GLY 5 -6.628 1.026 3.475
43 HA3 GLY 5 1HA GLY 5 -6.166 0.408 5.056
44 HA PRO 6 HA PRO 6 -3.116 3.491 5.444
45 HB2 PRO 6 2HB PRO 6 -0.906 2.203 6.395
46 HB3 PRO 6 1HB PRO 6 -2.361 2.506 7.357
47 HG2 PRO 6 2HG PRO 6 -1.447 0.011 6.037
48 HG3 PRO 6 1HG PRO 6 -2.329 0.225 7.556
49 HD2 PRO 6 2HD PRO 6 -3.475 -0.561 5.173
50 HD3 PRO 6 1HD PRO 6 -4.355 0.186 6.523
51 H CYS 7 H CYS 7 -2.946 1.726 2.794
52 HA CYS 7 HA CYS 7 -0.116 2.306 2.095
53 HB2 CYS 7 2HB CYS 7 -2.342 0.602 1.162
54 HB3 CYS 7 1HB CYS 7 -1.326 1.254 -0.122
55 H ASP 8 H ASP 8 -3.388 3.395 1.603
56 HA ASP 8 HA ASP 8 -2.669 5.291 -0.546
57 HB2 ASP 8 2HB ASP 8 -4.862 4.081 -0.414
58 HB3 ASP 8 1HB ASP 8 -5.197 4.912 1.105
59 H GLN 9 H GLN 9 -2.955 5.092 2.905
60 HA GLN 9 HA GLN 9 -2.994 8.015 3.331
61 HB2 GLN 9 2HB GLN 9 -4.226 6.337 4.747
62 HB3 GLN 9 1HB GLN 9 -2.667 5.690 5.260
63 HG2 GLN 9 2HG GLN 9 -2.686 8.565 5.555
64 HG3 GLN 9 1HG GLN 9 -4.066 7.862 6.399
65 HE21 GLN 9 1HE2 GLN 9 -3.470 7.587 8.556
66 HE22 GLN 9 2HE2 GLN 9 -1.989 6.945 9.081
67 H VAL 10 H VAL 10 -0.771 5.237 3.848
68 HA VAL 10 HA VAL 10 1.424 7.118 4.549
69 HB VAL 10 HB VAL 10 0.766 4.742 5.538
70 HG11 VAL 10 1HG1 VAL 10 1.748 2.874 4.494
71 HG12 VAL 10 2HG1 VAL 10 2.797 3.873 3.487
72 HG13 VAL 10 3HG1 VAL 10 1.071 3.778 3.140
73 HG21 VAL 10 3HG2 VAL 10 3.234 4.389 6.053
74 HG22 VAL 10 1HG2 VAL 10 2.609 5.996 6.425
75 HG23 VAL 10 2HG2 VAL 10 3.568 5.738 4.967
76 H CYS 11 H CYS 11 0.056 6.428 1.746
77 HA CYS 11 HA CYS 11 2.086 5.384 0.032
78 HB2 CYS 11 2HB CYS 11 -0.553 6.193 -0.112
79 HB3 CYS 11 1HB CYS 11 0.272 7.389 -1.110
80 HA PRO 12 HA PRO 12 3.241 9.950 -0.780
81 HB2 PRO 12 2HB PRO 12 2.464 11.823 1.052
82 HB3 PRO 12 1HB PRO 12 1.477 11.373 -0.351
83 HG2 PRO 12 2HG PRO 12 1.187 10.599 2.493
84 HG3 PRO 12 1HG PRO 12 -0.053 10.867 1.261
85 HD2 PRO 12 2HD PRO 12 0.837 8.396 2.119
86 HD3 PRO 12 1HD PRO 12 -0.008 8.699 0.587
87 H ARG 13 H ARG 13 3.688 8.074 1.882
88 HA ARG 13 HA ARG 13 5.606 9.771 3.333
89 HB2 ARG 13 2HB ARG 13 4.642 6.907 3.510
90 HB3 ARG 13 1HB ARG 13 5.895 7.545 4.575
91 HG2 ARG 13 2HG ARG 13 3.546 9.293 4.375
92 HG3 ARG 13 1HG ARG 13 3.179 7.705 5.050
93 HD2 ARG 13 2HD ARG 13 5.582 8.435 6.293
94 HD3 ARG 13 1HD ARG 13 4.611 9.921 6.283
95 HE ARG 13 HE ARG 13 2.838 7.860 6.981
96 HH11 ARG 13 1HH1 ARG 13 5.334 6.814 8.364
97 HH12 ARG 13 2HH1 ARG 13 5.180 7.532 9.932
98 HH21 ARG 13 1HH2 ARG 13 2.805 9.852 8.928
99 HH22 ARG 13 2HH2 ARG 13 3.748 9.251 10.251
100 H ILE 14 H ILE 14 7.778 8.396 3.842
101 HA ILE 14 HA ILE 14 9.418 8.475 1.548
102 HB ILE 14 HB ILE 14 10.979 7.161 3.003
103 HG12 ILE 14 2HG1 ILE 14 8.507 6.967 4.755
104 HG13 ILE 14 1HG1 ILE 14 9.375 5.625 4.011
105 HG21 ILE 14 1HG2 ILE 14 11.372 9.168 3.926
106 HG22 ILE 14 2HG2 ILE 14 10.065 8.887 5.075
107 HG23 ILE 14 3HG2 ILE 14 9.730 9.679 3.535
108 HD11 ILE 14 3HD1 ILE 14 10.143 5.714 6.270
109 HD12 ILE 14 1HD1 ILE 14 10.340 7.465 6.207
110 HD13 ILE 14 2HD1 ILE 14 11.433 6.422 5.298
111 H VAL 15 H VAL 15 10.803 6.092 1.396
112 HA VAL 15 HA VAL 15 9.020 4.471 -0.263
113 HB VAL 15 HB VAL 15 11.940 4.386 0.514
114 HG11 VAL 15 1HG1 VAL 15 10.486 2.601 -1.463
115 HG12 VAL 15 2HG1 VAL 15 11.046 2.083 0.128
116 HG13 VAL 15 3HG1 VAL 15 12.212 2.575 -1.101
117 HG21 VAL 15 3HG2 VAL 15 11.784 6.062 -1.058
118 HG22 VAL 15 1HG2 VAL 15 10.298 5.415 -1.753
119 HG23 VAL 15 2HG2 VAL 15 11.852 4.689 -2.164
120 HA PRO 16 HA PRO 16 10.078 1.197 3.080
121 HB2 PRO 16 2HB PRO 16 10.875 2.112 5.536
122 HB3 PRO 16 1HB PRO 16 12.010 1.685 4.240
123 HG2 PRO 16 2HG PRO 16 11.055 4.360 5.113
124 HG3 PRO 16 1HG PRO 16 12.661 3.857 4.566
125 HD2 PRO 16 2HD PRO 16 10.890 5.202 3.003
126 HD3 PRO 16 1HD PRO 16 12.132 4.112 2.355
127 H GLU 17 H GLU 17 8.318 4.042 3.326
128 HA GLU 17 HA GLU 17 6.633 3.194 5.604
129 HB2 GLU 17 2HB GLU 17 7.299 5.598 4.152
130 HB3 GLU 17 1HB GLU 17 5.547 5.394 4.171
131 HG2 GLU 17 2HG GLU 17 6.039 6.585 6.167
132 HG3 GLU 17 1HG GLU 17 5.796 4.917 6.683
133 H ARG 18 H ARG 18 6.810 2.793 2.203
134 HA ARG 18 HA ARG 18 3.904 2.093 2.015
135 HB2 ARG 18 2HB ARG 18 5.736 3.549 0.403
136 HB3 ARG 18 1HB ARG 18 5.351 2.071 -0.481
137 HG2 ARG 18 2HG ARG 18 2.876 2.717 0.348
138 HG3 ARG 18 1HG ARG 18 3.580 4.333 0.288
139 HD2 ARG 18 2HD ARG 18 3.550 2.323 -1.995
140 HD3 ARG 18 1HD ARG 18 2.588 3.813 -1.896
141 HE ARG 18 HE ARG 18 5.303 4.519 -1.465
142 HH11 ARG 18 1HH2 ARG 18 3.433 5.700 -3.549
143 HH12 ARG 18 2HH2 ARG 18 4.259 5.294 -5.016
144 HH21 ARG 18 1HH1 ARG 18 6.303 2.925 -3.520
145 HH22 ARG 18 2HH1 ARG 18 5.884 3.721 -5.000
146 H HIS 19 H HIS 19 7.184 0.912 1.223
147 HA HIS 19 HA HIS 19 6.467 -1.612 0.132
148 HB2 HIS 19 2HB HIS 19 8.772 -0.161 1.004
149 HB3 HIS 19 1HB HIS 19 8.868 -1.785 1.686
150 HD1 HIS 19 1HD HIS 19 7.669 -3.489 -0.501
151 HD2 HIS 19 2HD HIS 19 10.274 -0.338 -1.312
152 HE1 HIS 19 1HE HIS 19 8.667 -3.954 -2.782
153 H GLU 20 H GLU 20 6.754 -0.532 3.491
154 HA GLU 20 HA GLU 20 6.437 -3.262 4.562
155 HB2 GLU 20 2HB GLU 20 7.884 -1.600 5.644
156 HB3 GLU 20 1HB GLU 20 6.516 -0.499 5.818
157 HG2 GLU 20 2HG GLU 20 5.430 -1.928 7.382
158 HG3 GLU 20 1HG GLU 20 6.493 -3.282 6.997
159 H CYS 21 H CYS 21 4.382 -0.751 3.477
160 HA CYS 21 HA CYS 21 2.164 -1.105 5.294
161 HB2 CYS 21 2HB CYS 21 2.382 0.898 3.985
162 HB3 CYS 21 1HB CYS 21 2.494 -0.023 2.485
163 H CYS 22 H CYS 22 3.073 -2.599 2.196
164 HA CYS 22 HA CYS 22 0.576 -4.095 1.943
165 HB2 CYS 22 2HB CYS 22 3.179 -3.772 0.541
166 HB3 CYS 22 1HB CYS 22 2.335 -5.297 0.268
167 H ARG 23 H ARG 23 3.957 -4.993 2.739
168 HA ARG 23 HA ARG 23 3.417 -7.755 3.280
169 HB2 ARG 23 2HB ARG 23 5.545 -5.786 4.164
170 HB3 ARG 23 1HB ARG 23 5.630 -7.512 4.527
171 HG2 ARG 23 2HG ARG 23 5.512 -8.027 2.116
172 HG3 ARG 23 1HG ARG 23 5.431 -6.303 1.752
173 HD2 ARG 23 2HD ARG 23 7.688 -6.158 1.843
174 HD3 ARG 23 1HD ARG 23 7.681 -6.808 3.495
175 HE ARG 23 HE ARG 23 7.273 -9.080 2.127
176 HH11 ARG 23 1HH2 ARG 23 9.765 -6.787 2.247
177 HH12 ARG 23 2HH2 ARG 23 10.759 -7.569 1.064
178 HH21 ARG 23 1HH1 ARG 23 8.374 -9.949 0.246
179 HH22 ARG 23 2HH1 ARG 23 9.972 -9.359 -0.068
180 H ALA 24 H ALA 24 3.291 -4.852 5.315
181 HA ALA 24 HA ALA 24 3.010 -6.208 7.842
182 HB1 ALA 24 3HB ALA 24 2.303 -3.468 6.766
183 HB2 ALA 24 1HB ALA 24 3.682 -3.913 7.770
184 HB3 ALA 24 2HB ALA 24 2.059 -3.903 8.458
185 H HIS 25 H HIS 25 0.828 -5.661 5.205
186 HA HIS 25 HA HIS 25 -1.566 -6.123 6.913
187 HB2 HIS 25 2HB HIS 25 -0.903 -4.801 4.410
188 HB3 HIS 25 1HB HIS 25 -2.275 -5.890 4.203
189 HD1 HIS 25 1HD HIS 25 -1.142 -3.158 6.616
190 HD2 HIS 25 2HD HIS 25 -4.657 -4.810 5.104
191 HE1 HIS 25 1HE HIS 25 -3.043 -1.768 7.546
192 H GLY 26 H GLY 26 -0.786 -7.303 3.628
193 HA2 GLY 26 2HA GLY 26 -0.372 -10.013 4.157
194 HA3 GLY 26 1HA GLY 26 -2.124 -9.822 4.117
195 H ARG 27 H ARG 27 0.145 -7.952 2.142
196 HA ARG 27 HA ARG 27 -1.172 -9.098 -0.281
197 HB2 ARG 27 2HB ARG 27 0.605 -6.662 -0.113
198 HB3 ARG 27 1HB ARG 27 -0.654 -7.015 -1.288
199 HG2 ARG 27 2HG ARG 27 -1.065 -6.380 1.643
200 HG3 ARG 27 1HG ARG 27 -1.467 -5.336 0.280
201 HD2 ARG 27 2HD ARG 27 -3.412 -6.440 -0.119
202 HD3 ARG 27 1HD ARG 27 -2.647 -8.027 0.077
203 HE ARG 27 HE ARG 27 -2.698 -6.839 2.636
204 HH11 ARG 27 1HH1 ARG 27 -4.616 -8.516 0.358
205 HH12 ARG 27 2HH1 ARG 27 -5.995 -8.648 1.397
206 HH21 ARG 27 1HH2 ARG 27 -4.600 -6.738 3.933
207 HH22 ARG 27 2HH2 ARG 27 -5.985 -7.643 3.421
208 H SER 28 H SER 28 0.977 -8.160 -2.018
209 HA SER 28 HA SER 28 3.098 -10.174 -1.333
210 HB2 SER 28 2HB SER 28 1.435 -10.602 -3.246
211 HB3 SER 28 1HB SER 28 2.226 -9.274 -4.089
212 HG SER 28 HG SER 28 3.633 -11.476 -2.991
213 H GLY 29 H GLY 29 2.440 -7.101 -3.038
214 HA2 GLY 29 2HA GLY 29 4.892 -5.909 -2.070
215 HA3 GLY 29 1HA GLY 29 5.031 -6.364 -3.769
216 H TYR 30 H TYR 30 4.541 -3.730 -2.039
217 HA TYR 30 HA TYR 30 2.172 -2.451 -2.663
218 HB2 TYR 30 2HB TYR 30 3.426 -0.445 -2.400
219 HB3 TYR 30 1HB TYR 30 4.337 -1.652 -1.496
220 HD1 TYR 30 1HD TYR 30 5.958 -3.105 -3.215
221 HD2 TYR 30 2HD TYR 30 4.745 0.992 -3.660
222 HE1 TYR 30 1HE TYR 30 7.944 -2.671 -4.636
223 HE2 TYR 30 2HE TYR 30 6.731 1.425 -5.080
224 HH TYR 30 HH TYR 30 9.300 -0.114 -5.165
225 H ALA 31 H ALA 31 1.100 -2.065 -4.567
226 HA ALA 31 HA ALA 31 2.542 -2.468 -7.139
227 HB1 ALA 31 3HB ALA 31 -0.385 -1.855 -6.813
228 HB2 ALA 31 1HB ALA 31 0.226 -3.442 -6.347
229 HB3 ALA 31 2HB ALA 31 0.402 -2.883 -8.010
230 H TYR 32 H TYR 32 0.180 -0.141 -5.801
231 HA TYR 32 HA TYR 32 1.653 2.196 -6.630
232 HB2 TYR 32 2HB TYR 32 -0.052 2.675 -8.536
233 HB3 TYR 32 1HB TYR 32 1.228 1.506 -8.857
234 HD1 TYR 32 2HD TYR 32 -2.362 1.916 -8.070
235 HD2 TYR 32 1HD TYR 32 0.743 -0.879 -9.080
236 HE1 TYR 32 2HE TYR 32 -4.072 0.188 -8.538
237 HE2 TYR 32 1HE TYR 32 -0.971 -2.606 -9.545
238 HH TYR 32 HH TYR 32 -4.086 -2.428 -8.527
239 H CYS 33 H CYS 33 -0.178 4.088 -6.916
240 HA CYS 33 HA CYS 33 -2.232 3.629 -4.775
241 HB2 CYS 33 2HB CYS 33 0.048 5.322 -4.827
242 HB3 CYS 33 1HB CYS 33 -1.365 6.369 -4.960
243 H SER 34 H SER 34 -4.193 3.737 -5.781
244 HA SER 34 HA SER 34 -4.525 5.538 -8.137
245 HB2 SER 34 2HB SER 34 -5.938 3.910 -8.885
246 HB3 SER 34 1HB SER 34 -5.180 2.912 -7.647
247 HG SER 34 HG SER 34 -7.663 3.396 -7.778
248 H GLY 35 H GLY 35 -6.595 6.789 -8.233
249 HA2 GLY 35 2HA GLY 35 -7.025 8.339 -5.863
250 HA3 GLY 35 1HA GLY 35 -8.041 8.387 -7.304
251 H GLY 36 H GLY 36 -8.066 7.629 -4.068
252 HA2 GLY 36 2HA GLY 36 -10.370 7.029 -3.226
253 HA3 GLY 36 1HA GLY 36 -10.367 5.752 -4.442
254 H GLY 37 H GLY 37 -7.484 5.163 -3.937
255 HA2 GLY 37 2HA GLY 37 -6.910 4.510 -1.268
256 HA3 GLY 37 1HA GLY 37 -7.853 3.161 -1.901
257 H MET 38 H MET 38 -5.378 2.465 -1.203
258 HA MET 38 HA MET 38 -3.620 2.669 -3.602
259 HB2 MET 38 2HB MET 38 -3.003 3.071 -1.085
260 HB3 MET 38 1HB MET 38 -2.970 1.309 -0.994
261 HG2 MET 38 2HG MET 38 -1.517 2.617 -3.254
262 HG3 MET 38 1HG MET 38 -0.790 2.700 -1.651
263 HE1 MET 38 3HE MET 38 1.242 1.265 -3.151
264 HE2 MET 38 1HE MET 38 1.396 -0.151 -2.101
265 HE3 MET 38 2HE MET 38 1.022 1.426 -1.411
266 H TYR 39 H TYR 39 -2.562 0.594 -4.316
267 HA TYR 39 HA TYR 39 -4.266 -1.815 -3.801
268 HB2 TYR 39 2HB TYR 39 -3.320 -0.634 -6.426
269 HB3 TYR 39 1HB TYR 39 -4.053 -2.232 -6.285
270 HD1 TYR 39 2HD TYR 39 -4.647 1.373 -5.492
271 HD2 TYR 39 1HD TYR 39 -6.391 -2.474 -6.271
272 HE1 TYR 39 2HE TYR 39 -6.904 2.400 -5.516
273 HE2 TYR 39 1HE TYR 39 -8.648 -1.448 -6.295
274 HH TYR 39 HH TYR 39 -9.340 1.497 -5.055
275 H CYS 40 H CYS 40 -3.130 -3.808 -3.949
276 HA CYS 40 HA CYS 40 -0.152 -3.579 -4.273
277 HB2 CYS 40 2HB CYS 40 -1.370 -3.878 -1.906
278 HB3 CYS 40 1HB CYS 40 -1.376 -5.569 -2.406
279 H ASN 41 H ASN 41 0.812 -5.863 -4.645
280 HA ASN 41 HA ASN 41 -0.837 -7.225 -6.711
281 HB2 ASN 41 2HB ASN 41 2.014 -6.782 -6.075
282 HB3 ASN 41 1HB ASN 41 1.651 -8.387 -6.710
283 HD21 ASN 41 1HD2 ASN 41 3.157 -6.769 -8.366
284 HD22 ASN 41 2HD2 ASN 41 2.218 -6.191 -9.656
Start of MODEL 22
1 H1 ALA 1 1HT ALA 1 -2.696 -8.586 -7.037
2 H2 ALA 1 2HT ALA 1 -1.933 -7.399 -6.091
3 H3 ALA 1 3HT ALA 1 -1.598 -7.510 -7.753
4 HA ALA 1 HA ALA 1 -3.066 -5.673 -7.496
5 HB1 ALA 1 3HB ALA 1 -3.817 -6.609 -9.428
6 HB2 ALA 1 1HB ALA 1 -5.189 -7.164 -8.469
7 HB3 ALA 1 2HB ALA 1 -3.810 -8.230 -8.736
8 H VAL 2 H VAL 2 -3.452 -5.203 -5.219
9 HA VAL 2 HA VAL 2 -6.129 -6.131 -4.296
10 HB VAL 2 HB VAL 2 -4.983 -6.405 -1.990
11 HG11 VAL 2 1HG1 VAL 2 -4.634 -8.232 -4.359
12 HG12 VAL 2 2HG1 VAL 2 -5.751 -8.382 -3.002
13 HG13 VAL 2 3HG1 VAL 2 -4.034 -8.701 -2.768
14 HG21 VAL 2 3HG2 VAL 2 -2.496 -7.051 -3.489
15 HG22 VAL 2 1HG2 VAL 2 -2.691 -6.432 -1.849
16 HG23 VAL 2 2HG2 VAL 2 -2.828 -5.339 -3.226
17 H ARG 3 H ARG 3 -6.039 -4.885 -1.782
18 HA ARG 3 HA ARG 3 -5.276 -2.051 -2.268
19 HB2 ARG 3 2HB ARG 3 -7.446 -2.010 -3.121
20 HB3 ARG 3 1HB ARG 3 -8.007 -3.274 -2.036
21 HG2 ARG 3 2HG ARG 3 -8.872 -0.939 -1.512
22 HG3 ARG 3 1HG ARG 3 -8.089 -1.771 -0.171
23 HD2 ARG 3 2HD ARG 3 -5.918 -0.545 -1.017
24 HD3 ARG 3 1HD ARG 3 -7.074 0.545 -1.806
25 HE ARG 3 HE ARG 3 -7.156 -0.056 1.134
26 HH11 ARG 3 1HH2 ARG 3 -9.574 1.256 0.056
27 HH12 ARG 3 2HH2 ARG 3 -9.216 2.941 0.240
28 HH21 ARG 3 1HH1 ARG 3 -5.809 2.442 0.656
29 HH22 ARG 3 2HH1 ARG 3 -7.084 3.612 0.579
30 H ILE 4 H ILE 4 -4.238 -1.433 -0.420
31 HA ILE 4 HA ILE 4 -4.918 -2.783 2.154
32 HB ILE 4 HB ILE 4 -2.552 -1.350 0.974
33 HG12 ILE 4 2HG1 ILE 4 -2.838 -3.819 0.755
34 HG13 ILE 4 1HG1 ILE 4 -1.398 -3.387 1.676
35 HG21 ILE 4 1HG2 ILE 4 -2.362 -0.291 3.013
36 HG22 ILE 4 2HG2 ILE 4 -1.651 -1.841 3.461
37 HG23 ILE 4 3HG2 ILE 4 -3.337 -1.501 3.844
38 HD11 ILE 4 3HD1 ILE 4 -2.388 -5.067 2.996
39 HD12 ILE 4 1HD1 ILE 4 -4.020 -4.472 2.689
40 HD13 ILE 4 2HD1 ILE 4 -2.941 -3.577 3.759
41 H GLY 5 H GLY 5 -5.455 -1.512 3.987
42 HA2 GLY 5 2HA GLY 5 -6.959 0.863 3.512
43 HA3 GLY 5 1HA GLY 5 -6.465 0.284 5.097
44 HA PRO 6 HA PRO 6 -3.542 3.506 5.379
45 HB2 PRO 6 2HB PRO 6 -1.363 2.340 6.535
46 HB3 PRO 6 1HB PRO 6 -2.870 2.685 7.397
47 HG2 PRO 6 2HG PRO 6 -1.840 0.116 6.334
48 HG3 PRO 6 1HG PRO 6 -2.822 0.427 7.770
49 HD2 PRO 6 2HD PRO 6 -3.784 -0.559 5.372
50 HD3 PRO 6 1HD PRO 6 -4.770 0.230 6.619
51 H CYS 7 H CYS 7 -3.283 1.742 2.821
52 HA CYS 7 HA CYS 7 -0.394 2.138 2.256
53 HB2 CYS 7 2HB CYS 7 -2.600 0.465 1.345
54 HB3 CYS 7 1HB CYS 7 -1.715 1.166 -0.005
55 H ASP 8 H ASP 8 -3.532 3.491 1.719
56 HA ASP 8 HA ASP 8 -2.627 5.303 -0.445
57 HB2 ASP 8 2HB ASP 8 -4.893 4.362 -0.499
58 HB3 ASP 8 1HB ASP 8 -5.210 4.960 1.128
59 H GLN 9 H GLN 9 -3.190 5.153 2.995
60 HA GLN 9 HA GLN 9 -2.987 8.037 3.475
61 HB2 GLN 9 2HB GLN 9 -4.302 6.598 4.939
62 HB3 GLN 9 1HB GLN 9 -2.911 5.550 5.221
63 HG2 GLN 9 2HG GLN 9 -1.752 7.713 6.093
64 HG3 GLN 9 1HG GLN 9 -3.392 8.350 6.219
65 HE21 GLN 9 1HE2 GLN 9 -2.058 5.061 6.881
66 HE22 GLN 9 2HE2 GLN 9 -2.648 4.983 8.470
67 H VAL 10 H VAL 10 -0.901 5.146 3.870
68 HA VAL 10 HA VAL 10 1.407 6.884 4.575
69 HB VAL 10 HB VAL 10 0.686 4.552 5.556
70 HG11 VAL 10 1HG1 VAL 10 2.490 3.484 3.411
71 HG12 VAL 10 2HG1 VAL 10 0.772 3.671 3.060
72 HG13 VAL 10 3HG1 VAL 10 1.293 2.634 4.388
73 HG21 VAL 10 3HG2 VAL 10 3.531 5.210 4.734
74 HG22 VAL 10 1HG2 VAL 10 3.101 3.994 5.937
75 HG23 VAL 10 2HG2 VAL 10 2.727 5.693 6.228
76 H CYS 11 H CYS 11 -0.072 6.361 1.793
77 HA CYS 11 HA CYS 11 1.860 5.269 -0.014
78 HB2 CYS 11 2HB CYS 11 -0.719 5.974 -0.135
79 HB3 CYS 11 1HB CYS 11 -0.027 7.439 -0.829
80 HA PRO 12 HA PRO 12 3.190 9.799 -0.727
81 HB2 PRO 12 2HB PRO 12 2.481 11.666 1.140
82 HB3 PRO 12 1HB PRO 12 1.478 11.277 -0.270
83 HG2 PRO 12 2HG PRO 12 1.157 10.467 2.559
84 HG3 PRO 12 1HG PRO 12 -0.070 10.793 1.327
85 HD2 PRO 12 2HD PRO 12 0.743 8.281 2.153
86 HD3 PRO 12 1HD PRO 12 -0.098 8.634 0.629
87 H ARG 13 H ARG 13 3.562 7.866 1.909
88 HA ARG 13 HA ARG 13 5.537 9.451 3.399
89 HB2 ARG 13 2HB ARG 13 4.603 6.564 3.462
90 HB3 ARG 13 1HB ARG 13 5.754 7.242 4.614
91 HG2 ARG 13 2HG ARG 13 3.138 8.642 4.164
92 HG3 ARG 13 1HG ARG 13 3.185 7.213 5.197
93 HD2 ARG 13 2HD ARG 13 4.860 8.245 6.641
94 HD3 ARG 13 1HD ARG 13 4.965 9.650 5.561
95 HE ARG 13 HE ARG 13 2.236 9.090 6.430
96 HH11 ARG 13 1HH1 ARG 13 3.839 11.737 5.911
97 HH12 ARG 13 2HH1 ARG 13 3.744 12.443 7.490
98 HH21 ARG 13 1HH2 ARG 13 2.706 9.513 9.027
99 HH22 ARG 13 2HH2 ARG 13 3.102 11.184 9.255
100 H ILE 14 H ILE 14 7.697 8.034 3.824
101 HA ILE 14 HA ILE 14 9.306 8.173 1.519
102 HB ILE 14 HB ILE 14 10.853 6.734 2.883
103 HG12 ILE 14 2HG1 ILE 14 8.424 6.591 4.700
104 HG13 ILE 14 1HG1 ILE 14 9.197 5.236 3.878
105 HG21 ILE 14 1HG2 ILE 14 10.828 9.120 3.279
106 HG22 ILE 14 2HG2 ILE 14 10.906 8.307 4.842
107 HG23 ILE 14 3HG2 ILE 14 9.379 8.984 4.276
108 HD11 ILE 14 3HD1 ILE 14 11.346 5.965 5.120
109 HD12 ILE 14 1HD1 ILE 14 10.094 5.156 6.063
110 HD13 ILE 14 2HD1 ILE 14 10.268 6.910 6.146
111 H VAL 15 H VAL 15 10.639 5.787 1.199
112 HA VAL 15 HA VAL 15 8.785 4.289 -0.500
113 HB VAL 15 HB VAL 15 11.725 4.105 0.188
114 HG11 VAL 15 1HG1 VAL 15 10.042 2.062 -0.877
115 HG12 VAL 15 2HG1 VAL 15 11.800 2.054 -0.737
116 HG13 VAL 15 3HG1 VAL 15 11.034 2.674 -2.200
117 HG21 VAL 15 3HG2 VAL 15 12.070 5.312 -1.745
118 HG22 VAL 15 1HG2 VAL 15 10.460 5.917 -1.355
119 HG23 VAL 15 2HG2 VAL 15 10.655 4.631 -2.546
120 HA PRO 16 HA PRO 16 9.889 0.825 2.622
121 HB2 PRO 16 2HB PRO 16 10.696 1.593 5.125
122 HB3 PRO 16 1HB PRO 16 11.825 1.252 3.800
123 HG2 PRO 16 2HG PRO 16 10.867 3.863 4.844
124 HG3 PRO 16 1HG PRO 16 12.469 3.403 4.250
125 HD2 PRO 16 2HD PRO 16 10.664 4.834 2.795
126 HD3 PRO 16 1HD PRO 16 11.917 3.808 2.067
127 H GLU 17 H GLU 17 8.232 3.744 3.249
128 HA GLU 17 HA GLU 17 6.525 2.717 5.408
129 HB2 GLU 17 2HB GLU 17 7.233 5.194 4.204
130 HB3 GLU 17 1HB GLU 17 5.492 5.006 3.991
131 HG2 GLU 17 2HG GLU 17 6.124 6.126 6.148
132 HG3 GLU 17 1HG GLU 17 5.179 4.654 6.367
133 H ARG 18 H ARG 18 6.600 2.680 1.942
134 HA ARG 18 HA ARG 18 3.711 1.978 1.744
135 HB2 ARG 18 2HB ARG 18 5.669 3.337 0.158
136 HB3 ARG 18 1HB ARG 18 5.117 1.929 -0.750
137 HG2 ARG 18 2HG ARG 18 2.769 2.617 -0.380
138 HG3 ARG 18 1HG ARG 18 3.331 4.039 0.502
139 HD2 ARG 18 2HD ARG 18 4.076 3.430 -2.382
140 HD3 ARG 18 1HD ARG 18 2.795 4.556 -1.893
141 HE ARG 18 HE ARG 18 5.191 5.177 -0.452
142 HH11 ARG 18 1HH1 ARG 18 3.309 5.829 -3.217
143 HH12 ARG 18 2HH1 ARG 18 4.422 6.971 -3.892
144 HH21 ARG 18 1HH2 ARG 18 6.853 6.431 -1.478
145 HH22 ARG 18 2HH2 ARG 18 6.428 7.313 -2.907
146 H HIS 19 H HIS 19 6.917 0.694 0.742
147 HA HIS 19 HA HIS 19 6.042 -1.811 -0.254
148 HB2 HIS 19 2HB HIS 19 8.530 -0.673 0.981
149 HB3 HIS 19 1HB HIS 19 8.462 -2.404 0.659
150 HD1 HIS 19 1HD HIS 19 9.186 -3.047 -1.634
151 HD2 HIS 19 2HD HIS 19 7.734 0.859 -1.530
152 HE1 HIS 19 1HE HIS 19 9.469 -2.116 -3.973
153 H GLU 20 H GLU 20 6.771 -0.769 3.065
154 HA GLU 20 HA GLU 20 6.432 -3.424 4.224
155 HB2 GLU 20 2HB GLU 20 7.847 -1.551 5.121
156 HB3 GLU 20 1HB GLU 20 6.367 -0.665 5.488
157 HG2 GLU 20 2HG GLU 20 5.666 -2.295 7.083
158 HG3 GLU 20 1HG GLU 20 6.878 -3.454 6.537
159 H CYS 21 H CYS 21 4.315 -0.818 3.320
160 HA CYS 21 HA CYS 21 2.146 -1.272 5.137
161 HB2 CYS 21 2HB CYS 21 2.327 0.732 3.788
162 HB3 CYS 21 1HB CYS 21 2.330 -0.215 2.301
163 H CYS 22 H CYS 22 2.797 -2.561 1.863
164 HA CYS 22 HA CYS 22 0.422 -4.244 1.840
165 HB2 CYS 22 2HB CYS 22 2.961 -4.321 0.176
166 HB3 CYS 22 1HB CYS 22 1.407 -5.031 -0.263
167 H ARG 23 H ARG 23 3.895 -4.786 2.461
168 HA ARG 23 HA ARG 23 3.639 -7.657 2.798
169 HB2 ARG 23 2HB ARG 23 5.735 -5.670 3.735
170 HB3 ARG 23 1HB ARG 23 5.958 -7.415 3.619
171 HG2 ARG 23 2HG ARG 23 4.936 -6.224 1.141
172 HG3 ARG 23 1HG ARG 23 6.519 -5.601 1.608
173 HD2 ARG 23 2HD ARG 23 7.190 -8.073 1.970
174 HD3 ARG 23 1HD ARG 23 5.731 -8.463 1.036
175 HE ARG 23 HE ARG 23 7.120 -6.422 -0.363
176 HH11 ARG 23 1HH2 ARG 23 6.434 -9.627 -0.590
177 HH12 ARG 23 2HH2 ARG 23 7.885 -10.095 -1.413
178 HH21 ARG 23 1HH1 ARG 23 9.464 -7.048 -0.921
179 HH22 ARG 23 2HH1 ARG 23 9.599 -8.635 -1.601
180 H ALA 24 H ALA 24 2.938 -4.946 4.814
181 HA ALA 24 HA ALA 24 3.264 -6.422 7.348
182 HB1 ALA 24 3HB ALA 24 2.254 -4.215 8.195
183 HB2 ALA 24 1HB ALA 24 2.307 -3.674 6.517
184 HB3 ALA 24 2HB ALA 24 3.800 -4.092 7.357
185 H HIS 25 H HIS 25 0.665 -5.431 5.157
186 HA HIS 25 HA HIS 25 -1.399 -6.473 7.020
187 HB2 HIS 25 2HB HIS 25 -1.239 -4.756 4.588
188 HB3 HIS 25 1HB HIS 25 -2.740 -5.651 4.830
189 HD1 HIS 25 1HD HIS 25 -0.449 -3.293 6.759
190 HD2 HIS 25 2HD HIS 25 -4.440 -4.491 6.685
191 HE1 HIS 25 1HE HIS 25 -1.666 -1.834 8.435
192 H GLY 26 H GLY 26 0.137 -8.588 6.296
193 HA2 GLY 26 2HA GLY 26 0.204 -10.615 5.091
194 HA3 GLY 26 1HA GLY 26 -1.548 -10.512 5.256
195 H ARG 27 H ARG 27 0.192 -8.070 3.461
196 HA ARG 27 HA ARG 27 -1.126 -9.071 0.967
197 HB2 ARG 27 2HB ARG 27 -0.852 -6.546 2.286
198 HB3 ARG 27 1HB ARG 27 -0.023 -6.440 0.733
199 HG2 ARG 27 2HG ARG 27 -2.337 -5.828 0.379
200 HG3 ARG 27 1HG ARG 27 -2.080 -7.415 -0.346
201 HD2 ARG 27 2HD ARG 27 -2.786 -7.893 2.361
202 HD3 ARG 27 1HD ARG 27 -3.936 -6.693 1.736
203 HE ARG 27 HE ARG 27 -3.856 -8.427 -0.340
204 HH11 ARG 27 1HH1 ARG 27 -5.704 -8.382 2.289
205 HH12 ARG 27 2HH1 ARG 27 -5.874 -10.091 2.502
206 HH21 ARG 27 1HH2 ARG 27 -3.353 -10.887 0.256
207 HH22 ARG 27 2HH2 ARG 27 -4.542 -11.511 1.350
208 H SER 28 H SER 28 0.222 -8.462 -1.076
209 HA SER 28 HA SER 28 2.895 -9.648 -0.774
210 HB2 SER 28 2HB SER 28 1.057 -9.950 -2.620
211 HB3 SER 28 1HB SER 28 1.724 -8.461 -3.283
212 HG SER 28 HG SER 28 3.329 -9.595 -4.003
213 H GLY 29 H GLY 29 3.815 -7.997 -3.146
214 HA2 GLY 29 2HA GLY 29 5.229 -5.967 -1.642
215 HA3 GLY 29 1HA GLY 29 5.279 -6.170 -3.394
216 H TYR 30 H TYR 30 5.051 -3.883 -3.735
217 HA TYR 30 HA TYR 30 2.366 -2.778 -2.986
218 HB2 TYR 30 2HB TYR 30 3.433 -0.669 -2.830
219 HB3 TYR 30 1HB TYR 30 4.615 -1.785 -2.150
220 HD1 TYR 30 2HD TYR 30 6.480 -2.660 -3.655
221 HD2 TYR 30 1HD TYR 30 3.931 0.617 -4.756
222 HE1 TYR 30 2HE TYR 30 8.126 -1.955 -5.372
223 HE2 TYR 30 1HE TYR 30 5.577 1.321 -6.473
224 HH TYR 30 HH TYR 30 7.388 0.471 -7.738
225 H ALA 31 H ALA 31 1.206 -1.622 -4.642
226 HA ALA 31 HA ALA 31 2.066 -2.323 -7.428
227 HB1 ALA 31 3HB ALA 31 -0.694 -1.416 -6.716
228 HB2 ALA 31 1HB ALA 31 -0.191 -3.014 -6.167
229 HB3 ALA 31 2HB ALA 31 -0.185 -2.630 -7.889
230 H TYR 32 H TYR 32 0.020 0.166 -5.881
231 HA TYR 32 HA TYR 32 1.595 2.408 -6.787
232 HB2 TYR 32 2HB TYR 32 -0.187 2.982 -8.611
233 HB3 TYR 32 1HB TYR 32 1.029 1.763 -8.991
234 HD1 TYR 32 2HD TYR 32 -2.472 2.239 -7.817
235 HD2 TYR 32 1HD TYR 32 0.418 -0.519 -9.402
236 HE1 TYR 32 2HE TYR 32 -4.269 0.577 -8.195
237 HE2 TYR 32 1HE TYR 32 -1.382 -2.181 -9.776
238 HH TYR 32 HH TYR 32 -3.560 -2.586 -9.684
239 H CYS 33 H CYS 33 -0.474 4.245 -7.270
240 HA CYS 33 HA CYS 33 -2.300 3.994 -4.914
241 HB2 CYS 33 2HB CYS 33 0.047 5.511 -5.035
242 HB3 CYS 33 1HB CYS 33 -1.235 6.682 -5.336
243 H SER 34 H SER 34 -4.262 4.038 -5.950
244 HA SER 34 HA SER 34 -4.684 5.649 -8.377
245 HB2 SER 34 2HB SER 34 -6.621 4.357 -8.570
246 HB3 SER 34 1HB SER 34 -5.582 3.277 -7.642
247 HG SER 34 HG SER 34 -7.909 4.490 -6.944
248 H GLY 35 H GLY 35 -4.041 7.253 -6.084
249 HA2 GLY 35 2HA GLY 35 -4.828 9.321 -5.254
250 HA3 GLY 35 1HA GLY 35 -6.359 9.025 -6.080
251 H GLY 36 H GLY 36 -8.077 8.423 -4.834
252 HA2 GLY 36 2HA GLY 36 -7.639 8.092 -1.942
253 HA3 GLY 36 1HA GLY 36 -9.205 8.225 -2.745
254 H GLY 37 H GLY 37 -6.473 5.970 -3.208
255 HA2 GLY 37 2HA GLY 37 -7.592 3.704 -1.976
256 HA3 GLY 37 1HA GLY 37 -8.201 3.714 -3.633
257 H MET 38 H MET 38 -5.488 3.024 -1.638
258 HA MET 38 HA MET 38 -3.558 2.956 -3.869
259 HB2 MET 38 2HB MET 38 -3.338 3.469 -1.241
260 HB3 MET 38 1HB MET 38 -3.036 1.732 -1.197
261 HG2 MET 38 2HG MET 38 -1.612 3.221 -3.327
262 HG3 MET 38 1HG MET 38 -1.096 3.571 -1.677
263 HE1 MET 38 3HE MET 38 0.720 2.810 -3.502
264 HE2 MET 38 1HE MET 38 1.396 1.175 -3.491
265 HE3 MET 38 2HE MET 38 1.543 2.202 -2.068
266 H TYR 39 H TYR 39 -2.283 0.843 -4.132
267 HA TYR 39 HA TYR 39 -3.968 -1.579 -3.684
268 HB2 TYR 39 2HB TYR 39 -2.897 -0.472 -6.291
269 HB3 TYR 39 1HB TYR 39 -3.474 -2.131 -6.125
270 HD1 TYR 39 1HD TYR 39 -4.470 1.442 -5.793
271 HD2 TYR 39 2HD TYR 39 -5.796 -2.635 -6.046
272 HE1 TYR 39 1HE TYR 39 -6.811 2.217 -6.043
273 HE2 TYR 39 2HE TYR 39 -8.136 -1.862 -6.297
274 HH TYR 39 HH TYR 39 -9.509 -0.065 -6.089
275 H CYS 40 H CYS 40 -2.734 -3.491 -3.495
276 HA CYS 40 HA CYS 40 0.245 -3.093 -3.472
277 HB2 CYS 40 2HB CYS 40 -1.638 -4.787 -1.809
278 HB3 CYS 40 1HB CYS 40 0.115 -4.955 -1.741
279 H ASN 41 H ASN 41 1.531 -4.790 -4.355
280 HA ASN 41 HA ASN 41 0.528 -6.183 -6.618
281 HB2 ASN 41 2HB ASN 41 2.964 -5.873 -5.097
282 HB3 ASN 41 1HB ASN 41 2.773 -7.561 -5.570
283 HD21 ASN 41 1HD2 ASN 41 2.485 -8.000 -7.936
284 HD22 ASN 41 2HD2 ASN 41 3.082 -6.889 -9.071
Start of MODEL 23
1 H1 ALA 1 1HT ALA 1 -5.424 -8.772 -8.559
2 H2 ALA 1 2HT ALA 1 -4.750 -9.419 -7.140
3 H3 ALA 1 3HT ALA 1 -3.749 -9.017 -8.453
4 HA ALA 1 HA ALA 1 -3.390 -7.126 -7.284
5 HB1 ALA 1 3HB ALA 1 -4.595 -6.548 -9.348
6 HB2 ALA 1 1HB ALA 1 -5.044 -5.432 -8.057
7 HB3 ALA 1 2HB ALA 1 -6.139 -6.738 -8.515
8 H VAL 2 H VAL 2 -3.948 -5.766 -5.453
9 HA VAL 2 HA VAL 2 -6.316 -6.627 -3.849
10 HB VAL 2 HB VAL 2 -4.652 -6.613 -1.866
11 HG11 VAL 2 1HG1 VAL 2 -3.684 -8.933 -2.996
12 HG12 VAL 2 2HG1 VAL 2 -5.140 -8.637 -3.945
13 HG13 VAL 2 3HG1 VAL 2 -5.245 -8.779 -2.191
14 HG21 VAL 2 3HG2 VAL 2 -2.469 -7.463 -3.592
15 HG22 VAL 2 1HG2 VAL 2 -2.457 -6.286 -2.279
16 HG23 VAL 2 2HG2 VAL 2 -2.915 -5.787 -3.907
17 H ARG 3 H ARG 3 -6.140 -5.103 -1.682
18 HA ARG 3 HA ARG 3 -5.285 -2.355 -2.424
19 HB2 ARG 3 2HB ARG 3 -7.538 -2.615 -3.331
20 HB3 ARG 3 1HB ARG 3 -8.117 -3.222 -1.780
21 HG2 ARG 3 2HG ARG 3 -6.748 -0.576 -1.757
22 HG3 ARG 3 1HG ARG 3 -8.356 -0.636 -2.480
23 HD2 ARG 3 2HD ARG 3 -9.334 -1.489 -0.460
24 HD3 ARG 3 1HD ARG 3 -7.739 -1.809 0.239
25 HE ARG 3 HE ARG 3 -7.595 0.475 0.813
26 HH11 ARG 3 1HH2 ARG 3 -9.942 -0.084 -1.664
27 HH12 ARG 3 2HH2 ARG 3 -10.507 1.553 -1.675
28 HH21 ARG 3 1HH1 ARG 3 -8.334 2.609 0.809
29 HH22 ARG 3 2HH1 ARG 3 -9.599 3.073 -0.278
30 H ILE 4 H ILE 4 -4.480 -1.337 -0.651
31 HA ILE 4 HA ILE 4 -5.055 -2.532 2.035
32 HB ILE 4 HB ILE 4 -2.713 -1.081 0.789
33 HG12 ILE 4 2HG1 ILE 4 -2.951 -3.542 0.460
34 HG13 ILE 4 1HG1 ILE 4 -1.519 -3.127 1.404
35 HG21 ILE 4 1HG2 ILE 4 -1.726 -1.551 3.182
36 HG22 ILE 4 2HG2 ILE 4 -3.416 -1.491 3.677
37 HG23 ILE 4 3HG2 ILE 4 -2.675 -0.091 2.901
38 HD11 ILE 4 3HD1 ILE 4 -3.137 -3.414 3.458
39 HD12 ILE 4 1HD1 ILE 4 -2.437 -4.841 2.693
40 HD13 ILE 4 2HD1 ILE 4 -4.095 -4.367 2.324
41 H GLY 5 H GLY 5 -5.192 -0.944 3.842
42 HA2 GLY 5 2HA GLY 5 -6.725 1.426 3.023
43 HA3 GLY 5 1HA GLY 5 -6.506 0.857 4.673
44 HA PRO 6 HA PRO 6 -3.283 3.731 5.313
45 HB2 PRO 6 2HB PRO 6 -1.231 2.328 6.440
46 HB3 PRO 6 1HB PRO 6 -2.733 2.732 7.285
47 HG2 PRO 6 2HG PRO 6 -1.872 0.167 6.068
48 HG3 PRO 6 1HG PRO 6 -2.860 0.455 7.507
49 HD2 PRO 6 2HD PRO 6 -3.851 -0.295 5.040
50 HD3 PRO 6 1HD PRO 6 -4.796 0.513 6.310
51 H CYS 7 H CYS 7 -3.006 1.854 2.735
52 HA CYS 7 HA CYS 7 -0.116 2.287 2.217
53 HB2 CYS 7 2HB CYS 7 -2.377 0.697 1.146
54 HB3 CYS 7 1HB CYS 7 -1.191 1.220 -0.045
55 H ASP 8 H ASP 8 -3.261 3.596 1.609
56 HA ASP 8 HA ASP 8 -2.356 5.374 -0.578
57 HB2 ASP 8 2HB ASP 8 -4.684 5.964 -0.675
58 HB3 ASP 8 1HB ASP 8 -4.654 4.233 -0.343
59 H GLN 9 H GLN 9 -2.989 5.304 2.859
60 HA GLN 9 HA GLN 9 -2.790 8.199 3.264
61 HB2 GLN 9 2HB GLN 9 -3.462 5.785 4.721
62 HB3 GLN 9 1HB GLN 9 -2.311 6.747 5.652
63 HG2 GLN 9 2HG GLN 9 -3.973 8.144 6.234
64 HG3 GLN 9 1HG GLN 9 -4.206 8.552 4.534
65 HE21 GLN 9 1HE2 GLN 9 -5.515 6.737 7.219
66 HE22 GLN 9 2HE2 GLN 9 -6.859 6.106 6.394
67 H VAL 10 H VAL 10 -0.721 5.319 3.817
68 HA VAL 10 HA VAL 10 1.588 7.083 4.464
69 HB VAL 10 HB VAL 10 0.825 4.788 5.527
70 HG11 VAL 10 1HG1 VAL 10 2.724 3.642 3.513
71 HG12 VAL 10 2HG1 VAL 10 1.029 3.823 3.059
72 HG13 VAL 10 3HG1 VAL 10 1.469 2.835 4.452
73 HG21 VAL 10 3HG2 VAL 10 2.776 5.774 6.394
74 HG22 VAL 10 1HG2 VAL 10 3.617 5.693 4.847
75 HG23 VAL 10 2HG2 VAL 10 3.361 4.224 5.790
76 H CYS 11 H CYS 11 0.156 6.485 1.691
77 HA CYS 11 HA CYS 11 2.072 5.258 -0.040
78 HB2 CYS 11 2HB CYS 11 -0.476 6.097 -0.227
79 HB3 CYS 11 1HB CYS 11 0.312 7.471 -0.996
80 HA PRO 12 HA PRO 12 3.625 9.694 -0.878
81 HB2 PRO 12 2HB PRO 12 2.914 11.672 0.869
82 HB3 PRO 12 1HB PRO 12 1.951 11.253 -0.561
83 HG2 PRO 12 2HG PRO 12 1.492 10.588 2.287
84 HG3 PRO 12 1HG PRO 12 0.326 10.905 0.996
85 HD2 PRO 12 2HD PRO 12 1.004 8.403 1.961
86 HD3 PRO 12 1HD PRO 12 0.238 8.720 0.392
87 H ARG 13 H ARG 13 3.820 7.864 1.846
88 HA ARG 13 HA ARG 13 5.768 9.453 3.366
89 HB2 ARG 13 2HB ARG 13 4.685 6.628 3.497
90 HB3 ARG 13 1HB ARG 13 5.891 7.235 4.632
91 HG2 ARG 13 2HG ARG 13 3.187 8.519 4.144
92 HG3 ARG 13 1HG ARG 13 3.568 7.465 5.507
93 HD2 ARG 13 2HD ARG 13 4.339 9.280 6.622
94 HD3 ARG 13 1HD ARG 13 5.620 9.435 5.404
95 HE ARG 13 HE ARG 13 3.954 10.758 4.035
96 HH11 ARG 13 1HH1 ARG 13 4.641 11.576 7.112
97 HH12 ARG 13 2HH1 ARG 13 3.168 12.422 7.454
98 HH21 ARG 13 1HH2 ARG 13 1.553 11.307 4.596
99 HH22 ARG 13 2HH2 ARG 13 1.420 12.270 6.030
100 H ILE 14 H ILE 14 7.881 8.071 3.942
101 HA ILE 14 HA ILE 14 9.584 8.032 1.703
102 HB ILE 14 HB ILE 14 11.058 6.686 3.224
103 HG12 ILE 14 2HG1 ILE 14 8.509 6.601 4.866
104 HG13 ILE 14 1HG1 ILE 14 9.439 5.229 4.263
105 HG21 ILE 14 1HG2 ILE 14 11.009 9.096 3.472
106 HG22 ILE 14 2HG2 ILE 14 11.042 8.372 5.080
107 HG23 ILE 14 3HG2 ILE 14 9.530 9.007 4.430
108 HD11 ILE 14 3HD1 ILE 14 10.255 5.318 6.422
109 HD12 ILE 14 1HD1 ILE 14 10.030 7.062 6.547
110 HD13 ILE 14 2HD1 ILE 14 11.393 6.412 5.635
111 H VAL 15 H VAL 15 10.898 5.638 1.579
112 HA VAL 15 HA VAL 15 9.130 4.038 -0.101
113 HB VAL 15 HB VAL 15 12.008 3.880 0.806
114 HG11 VAL 15 1HG1 VAL 15 10.472 2.027 -1.040
115 HG12 VAL 15 2HG1 VAL 15 11.269 1.590 0.471
116 HG13 VAL 15 3HG1 VAL 15 12.232 2.073 -0.926
117 HG21 VAL 15 3HG2 VAL 15 10.686 5.379 -1.149
118 HG22 VAL 15 1HG2 VAL 15 11.408 4.043 -2.045
119 HG23 VAL 15 2HG2 VAL 15 12.424 5.093 -1.058
120 HA PRO 16 HA PRO 16 9.943 0.771 3.322
121 HB2 PRO 16 2HB PRO 16 10.658 1.698 5.799
122 HB3 PRO 16 1HB PRO 16 11.835 1.218 4.561
123 HG2 PRO 16 2HG PRO 16 10.910 3.935 5.341
124 HG3 PRO 16 1HG PRO 16 12.531 3.379 4.899
125 HD2 PRO 16 2HD PRO 16 10.911 4.742 3.205
126 HD3 PRO 16 1HD PRO 16 12.129 3.575 2.649
127 H GLU 17 H GLU 17 8.292 3.715 3.528
128 HA GLU 17 HA GLU 17 6.471 2.889 5.709
129 HB2 GLU 17 2HB GLU 17 7.283 5.294 4.326
130 HB3 GLU 17 1HB GLU 17 5.524 5.158 4.298
131 HG2 GLU 17 2HG GLU 17 5.920 6.254 6.335
132 HG3 GLU 17 1HG GLU 17 5.771 4.567 6.826
133 H ARG 18 H ARG 18 6.725 2.699 2.262
134 HA ARG 18 HA ARG 18 3.817 2.133 1.936
135 HB2 ARG 18 2HB ARG 18 5.696 3.517 0.459
136 HB3 ARG 18 1HB ARG 18 5.626 1.968 -0.382
137 HG2 ARG 18 2HG ARG 18 3.080 2.214 -0.321
138 HG3 ARG 18 1HG ARG 18 3.356 3.886 0.167
139 HD2 ARG 18 2HD ARG 18 4.636 2.696 -2.311
140 HD3 ARG 18 1HD ARG 18 3.072 3.535 -2.347
141 HE ARG 18 HE ARG 18 4.780 5.224 -0.910
142 HH11 ARG 18 1HH2 ARG 18 4.001 4.268 -4.083
143 HH12 ARG 18 2HH2 ARG 18 5.143 5.325 -4.846
144 HH21 ARG 18 1HH1 ARG 18 6.555 6.386 -1.861
145 HH22 ARG 18 2HH1 ARG 18 6.589 6.523 -3.588
146 H HIS 19 H HIS 19 6.981 0.666 1.058
147 HA HIS 19 HA HIS 19 6.005 -1.849 0.194
148 HB2 HIS 19 2HB HIS 19 8.542 -0.730 1.331
149 HB3 HIS 19 1HB HIS 19 8.411 -2.478 1.152
150 HD1 HIS 19 1HD HIS 19 8.265 -3.437 -1.250
151 HD2 HIS 19 2HD HIS 19 8.594 0.717 -1.130
152 HE1 HIS 19 1HE HIS 19 8.768 -2.690 -3.617
153 H GLU 20 H GLU 20 6.674 -0.621 3.447
154 HA GLU 20 HA GLU 20 6.315 -3.212 4.754
155 HB2 GLU 20 2HB GLU 20 7.720 -1.215 5.503
156 HB3 GLU 20 1HB GLU 20 6.202 -0.424 5.934
157 HG2 GLU 20 2HG GLU 20 6.496 -1.442 7.946
158 HG3 GLU 20 1HG GLU 20 5.887 -2.874 7.117
159 H CYS 21 H CYS 21 4.248 -0.613 3.710
160 HA CYS 21 HA CYS 21 2.056 -0.973 5.527
161 HB2 CYS 21 2HB CYS 21 2.226 1.000 4.176
162 HB3 CYS 21 1HB CYS 21 2.348 0.054 2.692
163 H CYS 22 H CYS 22 2.716 -2.366 2.295
164 HA CYS 22 HA CYS 22 0.301 -4.000 2.310
165 HB2 CYS 22 2HB CYS 22 2.480 -3.254 0.554
166 HB3 CYS 22 1HB CYS 22 2.193 -4.992 0.465
167 H ARG 23 H ARG 23 3.784 -4.635 2.823
168 HA ARG 23 HA ARG 23 3.547 -7.463 3.227
169 HB2 ARG 23 2HB ARG 23 5.500 -5.279 3.887
170 HB3 ARG 23 1HB ARG 23 5.757 -6.888 4.565
171 HG2 ARG 23 2HG ARG 23 6.066 -7.870 2.474
172 HG3 ARG 23 1HG ARG 23 5.166 -6.606 1.636
173 HD2 ARG 23 2HD ARG 23 7.095 -5.499 1.220
174 HD3 ARG 23 1HD ARG 23 7.431 -5.413 2.960
175 HE ARG 23 HE ARG 23 9.022 -7.102 2.548
176 HH11 ARG 23 1HH1 ARG 23 6.589 -7.159 0.135
177 HH12 ARG 23 2HH1 ARG 23 6.994 -8.743 -0.438
178 HH21 ARG 23 1HH2 ARG 23 9.421 -9.285 1.977
179 HH22 ARG 23 2HH2 ARG 23 8.598 -9.946 0.604
180 H ALA 24 H ALA 24 2.824 -4.735 5.269
181 HA ALA 24 HA ALA 24 2.876 -6.307 7.766
182 HB1 ALA 24 3HB ALA 24 1.951 -3.493 7.094
183 HB2 ALA 24 1HB ALA 24 3.564 -3.934 7.655
184 HB3 ALA 24 2HB ALA 24 2.174 -4.132 8.723
185 H HIS 25 H HIS 25 0.594 -5.419 5.289
186 HA HIS 25 HA HIS 25 -1.714 -6.175 7.025
187 HB2 HIS 25 2HB HIS 25 -1.266 -4.615 4.502
188 HB3 HIS 25 1HB HIS 25 -2.856 -5.325 4.781
189 HD1 HIS 25 1HD HIS 25 -0.338 -3.196 6.713
190 HD2 HIS 25 2HD HIS 25 -4.458 -3.731 6.363
191 HE1 HIS 25 1HE HIS 25 -1.415 -1.455 8.205
192 H GLY 26 H GLY 26 0.414 -7.916 5.430
193 HA2 GLY 26 2HA GLY 26 0.308 -10.082 4.515
194 HA3 GLY 26 1HA GLY 26 -1.430 -10.064 4.821
195 H ARG 27 H ARG 27 0.916 -8.427 2.658
196 HA ARG 27 HA ARG 27 -0.987 -8.947 0.402
197 HB2 ARG 27 2HB ARG 27 -0.142 -6.453 1.628
198 HB3 ARG 27 1HB ARG 27 0.310 -6.494 -0.077
199 HG2 ARG 27 2HG ARG 27 -1.946 -5.573 0.152
200 HG3 ARG 27 1HG ARG 27 -2.022 -7.141 -0.653
201 HD2 ARG 27 2HD ARG 27 -2.164 -7.431 2.249
202 HD3 ARG 27 1HD ARG 27 -3.475 -6.413 1.619
203 HE ARG 27 HE ARG 27 -3.147 -8.651 -0.123
204 HH11 ARG 27 1HH2 ARG 27 -5.183 -7.358 2.158
205 HH12 ARG 27 2HH2 ARG 27 -5.878 -8.858 2.672
206 HH21 ARG 27 1HH1 ARG 27 -3.608 -10.812 0.922
207 HH22 ARG 27 2HH1 ARG 27 -4.986 -10.815 1.973
208 H SER 28 H SER 28 0.652 -7.639 -1.537
209 HA SER 28 HA SER 28 2.969 -9.530 -1.620
210 HB2 SER 28 2HB SER 28 1.013 -8.402 -3.532
211 HB3 SER 28 1HB SER 28 2.661 -8.513 -4.142
212 HG SER 28 HG SER 28 1.530 -10.676 -2.752
213 H GLY 29 H GLY 29 2.659 -6.674 -3.631
214 HA2 GLY 29 2HA GLY 29 4.703 -5.228 -2.043
215 HA3 GLY 29 1HA GLY 29 5.121 -5.658 -3.702
216 H TYR 30 H TYR 30 4.618 -2.981 -2.378
217 HA TYR 30 HA TYR 30 2.265 -1.693 -3.012
218 HB2 TYR 30 2HB TYR 30 3.602 0.280 -3.109
219 HB3 TYR 30 1HB TYR 30 4.513 -0.832 -2.091
220 HD1 TYR 30 1HD TYR 30 5.947 -2.600 -3.721
221 HD2 TYR 30 2HD TYR 30 4.943 1.490 -4.568
222 HE1 TYR 30 1HE TYR 30 7.868 -2.452 -5.281
223 HE2 TYR 30 2HE TYR 30 6.865 1.638 -6.127
224 HH TYR 30 HH TYR 30 9.342 -0.093 -6.159
225 H ALA 31 H ALA 31 1.051 -1.715 -4.860
226 HA ALA 31 HA ALA 31 2.383 -2.256 -7.473
227 HB1 ALA 31 3HB ALA 31 0.309 -3.473 -6.476
228 HB2 ALA 31 1HB ALA 31 0.235 -2.973 -8.166
229 HB3 ALA 31 2HB ALA 31 -0.575 -2.015 -6.927
230 H TYR 32 H TYR 32 -0.186 -0.115 -6.205
231 HA TYR 32 HA TYR 32 0.901 2.280 -7.393
232 HB2 TYR 32 2HB TYR 32 -0.951 2.312 -9.207
233 HB3 TYR 32 1HB TYR 32 0.426 1.245 -9.482
234 HD1 TYR 32 1HD TYR 32 -3.123 1.393 -8.458
235 HD2 TYR 32 2HD TYR 32 0.194 -1.184 -9.369
236 HE1 TYR 32 1HE TYR 32 -4.659 -0.546 -8.556
237 HE2 TYR 32 2HE TYR 32 -1.346 -3.122 -9.466
238 HH TYR 32 HH TYR 32 -4.821 -2.750 -8.773
239 H CYS 33 H CYS 33 -0.079 3.933 -6.261
240 HA CYS 33 HA CYS 33 -2.377 3.414 -4.553
241 HB2 CYS 33 2HB CYS 33 -0.321 5.398 -4.977
242 HB3 CYS 33 1HB CYS 33 -1.886 6.193 -4.827
243 H SER 34 H SER 34 -4.423 3.309 -5.400
244 HA SER 34 HA SER 34 -5.058 5.007 -7.787
245 HB2 SER 34 2HB SER 34 -5.887 3.068 -8.591
246 HB3 SER 34 1HB SER 34 -5.404 2.253 -7.107
247 HG SER 34 HG SER 34 -7.778 2.422 -7.828
248 H GLY 35 H GLY 35 -7.398 5.758 -7.836
249 HA2 GLY 35 2HA GLY 35 -8.055 7.407 -5.673
250 HA3 GLY 35 1HA GLY 35 -9.244 6.828 -6.843
251 H GLY 36 H GLY 36 -9.319 7.144 -3.809
252 HA2 GLY 36 2HA GLY 36 -10.802 5.936 -2.341
253 HA3 GLY 36 1HA GLY 36 -10.527 4.483 -3.303
254 H GLY 37 H GLY 37 -7.814 4.237 -3.366
255 HA2 GLY 37 2HA GLY 37 -6.512 4.723 -0.850
256 HA3 GLY 37 1HA GLY 37 -7.150 3.080 -0.890
257 H MET 38 H MET 38 -5.266 1.906 -1.128
258 HA MET 38 HA MET 38 -3.645 2.483 -3.586
259 HB2 MET 38 2HB MET 38 -2.445 3.121 -1.563
260 HB3 MET 38 1HB MET 38 -2.810 1.565 -0.820
261 HG2 MET 38 2HG MET 38 -1.253 0.433 -2.094
262 HG3 MET 38 1HG MET 38 -1.421 1.533 -3.460
263 HE1 MET 38 3HE MET 38 0.966 0.658 -3.259
264 HE2 MET 38 1HE MET 38 2.271 1.601 -2.525
265 HE3 MET 38 2HE MET 38 1.355 2.262 -3.878
266 H TYR 39 H TYR 39 -2.576 0.487 -4.461
267 HA TYR 39 HA TYR 39 -3.983 -2.030 -3.663
268 HB2 TYR 39 2HB TYR 39 -3.608 -0.814 -6.410
269 HB3 TYR 39 1HB TYR 39 -4.200 -2.455 -6.139
270 HD1 TYR 39 1HD TYR 39 -4.867 1.121 -5.275
271 HD2 TYR 39 2HD TYR 39 -6.467 -2.848 -5.638
272 HE1 TYR 39 1HE TYR 39 -7.147 2.000 -4.845
273 HE2 TYR 39 2HE TYR 39 -8.748 -1.970 -5.211
274 HH TYR 39 HH TYR 39 -9.720 0.102 -4.002
275 H CYS 40 H CYS 40 -2.766 -3.927 -3.950
276 HA CYS 40 HA CYS 40 0.131 -3.504 -4.615
277 HB2 CYS 40 2HB CYS 40 -1.335 -4.724 -2.413
278 HB3 CYS 40 1HB CYS 40 -0.189 -5.860 -3.126
279 H ASN 41 H ASN 41 1.193 -5.413 -5.626
280 HA ASN 41 HA ASN 41 -0.604 -6.710 -7.595
281 HB2 ASN 41 2HB ASN 41 1.722 -5.506 -7.915
282 HB3 ASN 41 1HB ASN 41 2.376 -7.066 -7.416
283 HD21 ASN 41 1HD2 ASN 41 2.898 -6.247 -10.033
284 HD22 ASN 41 2HD2 ASN 41 1.982 -7.169 -11.125
Start of MODEL 24
1 H1 ALA 1 1HT ALA 1 -3.545 -8.838 -7.723
2 H2 ALA 1 2HT ALA 1 -2.803 -8.809 -6.196
3 H3 ALA 1 3HT ALA 1 -1.913 -8.393 -7.582
4 HA ALA 1 HA ALA 1 -2.408 -6.327 -6.641
5 HB1 ALA 1 3HB ALA 1 -3.840 -7.337 -8.978
6 HB2 ALA 1 1HB ALA 1 -2.982 -5.810 -8.772
7 HB3 ALA 1 2HB ALA 1 -4.661 -5.954 -8.252
8 H VAL 2 H VAL 2 -3.326 -5.638 -4.752
9 HA VAL 2 HA VAL 2 -6.207 -6.271 -4.254
10 HB VAL 2 HB VAL 2 -5.560 -6.769 -1.901
11 HG11 VAL 2 1HG1 VAL 2 -5.659 -8.548 -3.705
12 HG12 VAL 2 2HG1 VAL 2 -4.621 -8.946 -2.336
13 HG13 VAL 2 3HG1 VAL 2 -3.909 -8.396 -3.853
14 HG21 VAL 2 3HG2 VAL 2 -3.573 -5.937 -1.217
15 HG22 VAL 2 1HG2 VAL 2 -3.042 -5.679 -2.879
16 HG23 VAL 2 2HG2 VAL 2 -2.813 -7.252 -2.114
17 H ARG 3 H ARG 3 -6.153 -4.990 -1.661
18 HA ARG 3 HA ARG 3 -5.291 -2.198 -2.223
19 HB2 ARG 3 2HB ARG 3 -7.436 -2.089 -3.100
20 HB3 ARG 3 1HB ARG 3 -8.048 -3.347 -2.039
21 HG2 ARG 3 2HG ARG 3 -8.922 -1.043 -1.501
22 HG3 ARG 3 1HG ARG 3 -8.108 -1.837 -0.155
23 HD2 ARG 3 2HD ARG 3 -5.980 -0.594 -0.931
24 HD3 ARG 3 1HD ARG 3 -7.079 0.410 -1.898
25 HE ARG 3 HE ARG 3 -7.268 0.115 1.079
26 HH11 ARG 3 1HH1 ARG 3 -9.340 1.094 -1.235
27 HH12 ARG 3 2HH1 ARG 3 -9.404 2.767 -0.788
28 HH21 ARG 3 1HH2 ARG 3 -6.709 2.562 1.386
29 HH22 ARG 3 2HH2 ARG 3 -7.914 3.598 0.696
30 H ILE 4 H ILE 4 -4.262 -1.542 -0.397
31 HA ILE 4 HA ILE 4 -4.976 -2.774 2.223
32 HB ILE 4 HB ILE 4 -2.604 -1.383 1.003
33 HG12 ILE 4 2HG1 ILE 4 -2.880 -3.857 0.863
34 HG13 ILE 4 1HG1 ILE 4 -1.449 -3.392 1.784
35 HG21 ILE 4 1HG2 ILE 4 -2.425 -0.253 3.002
36 HG22 ILE 4 2HG2 ILE 4 -1.712 -1.785 3.506
37 HG23 ILE 4 3HG2 ILE 4 -3.400 -1.436 3.872
38 HD11 ILE 4 3HD1 ILE 4 -4.121 -4.302 2.880
39 HD12 ILE 4 1HD1 ILE 4 -2.857 -3.587 3.881
40 HD13 ILE 4 2HD1 ILE 4 -2.563 -5.111 3.045
41 H GLY 5 H GLY 5 -5.498 -1.408 4.013
42 HA2 GLY 5 2HA GLY 5 -7.004 0.942 3.408
43 HA3 GLY 5 1HA GLY 5 -6.532 0.434 5.024
44 HA PRO 6 HA PRO 6 -3.592 3.649 5.193
45 HB2 PRO 6 2HB PRO 6 -1.437 2.523 6.430
46 HB3 PRO 6 1HB PRO 6 -2.954 2.912 7.255
47 HG2 PRO 6 2HG PRO 6 -1.920 0.295 6.323
48 HG3 PRO 6 1HG PRO 6 -2.928 0.675 7.727
49 HD2 PRO 6 2HD PRO 6 -3.848 -0.411 5.350
50 HD3 PRO 6 1HD PRO 6 -4.854 0.424 6.551
51 H CYS 7 H CYS 7 -3.325 1.810 2.707
52 HA CYS 7 HA CYS 7 -0.418 2.129 2.170
53 HB2 CYS 7 2HB CYS 7 -2.636 0.452 1.299
54 HB3 CYS 7 1HB CYS 7 -1.753 1.107 -0.075
55 H ASP 8 H ASP 8 -3.557 3.455 1.438
56 HA ASP 8 HA ASP 8 -2.545 5.211 -0.718
57 HB2 ASP 8 2HB ASP 8 -4.942 4.044 -0.204
58 HB3 ASP 8 1HB ASP 8 -5.198 5.596 0.590
59 H GLN 9 H GLN 9 -3.142 5.159 2.703
60 HA GLN 9 HA GLN 9 -3.021 8.080 3.061
61 HB2 GLN 9 2HB GLN 9 -2.832 5.847 5.106
62 HB3 GLN 9 1HB GLN 9 -3.370 7.504 5.378
63 HG2 GLN 9 2HG GLN 9 -5.222 7.008 3.663
64 HG3 GLN 9 1HG GLN 9 -4.787 5.309 3.862
65 HE21 GLN 9 1HE2 GLN 9 -6.545 7.936 5.274
66 HE22 GLN 9 2HE2 GLN 9 -6.988 7.149 6.712
67 H VAL 10 H VAL 10 -0.947 5.218 3.645
68 HA VAL 10 HA VAL 10 1.295 6.972 4.498
69 HB VAL 10 HB VAL 10 0.519 4.627 5.409
70 HG11 VAL 10 1HG1 VAL 10 0.687 3.677 3.013
71 HG12 VAL 10 2HG1 VAL 10 1.393 2.715 4.311
72 HG13 VAL 10 3HG1 VAL 10 2.432 3.687 3.267
73 HG21 VAL 10 3HG2 VAL 10 3.433 5.218 4.794
74 HG22 VAL 10 1HG2 VAL 10 2.854 4.116 6.045
75 HG23 VAL 10 2HG2 VAL 10 2.527 5.846 6.172
76 H CYS 11 H CYS 11 0.024 6.476 1.616
77 HA CYS 11 HA CYS 11 2.080 5.389 -0.048
78 HB2 CYS 11 2HB CYS 11 -0.366 5.804 -0.555
79 HB3 CYS 11 1HB CYS 11 0.029 7.512 -0.726
80 HA PRO 12 HA PRO 12 3.505 9.913 -0.609
81 HB2 PRO 12 2HB PRO 12 2.768 11.744 1.282
82 HB3 PRO 12 1HB PRO 12 1.813 11.420 -0.177
83 HG2 PRO 12 2HG PRO 12 1.357 10.546 2.613
84 HG3 PRO 12 1HG PRO 12 0.190 10.928 1.341
85 HD2 PRO 12 2HD PRO 12 0.920 8.377 2.137
86 HD3 PRO 12 1HD PRO 12 0.138 8.788 0.598
87 H ARG 13 H ARG 13 3.735 7.896 1.975
88 HA ARG 13 HA ARG 13 5.671 9.393 3.602
89 HB2 ARG 13 2HB ARG 13 4.628 6.549 3.521
90 HB3 ARG 13 1HB ARG 13 5.814 7.096 4.707
91 HG2 ARG 13 2HG ARG 13 3.490 8.879 4.453
92 HG3 ARG 13 1HG ARG 13 3.085 7.263 5.029
93 HD2 ARG 13 2HD ARG 13 4.159 7.573 7.025
94 HD3 ARG 13 1HD ARG 13 5.493 8.469 6.273
95 HE ARG 13 HE ARG 13 3.296 10.145 5.977
96 HH11 ARG 13 1HH2 ARG 13 5.754 10.581 7.787
97 HH12 ARG 13 2HH2 ARG 13 4.977 10.895 9.303
98 HH21 ARG 13 1HH1 ARG 13 1.897 9.673 8.281
99 HH22 ARG 13 2HH1 ARG 13 2.793 10.381 9.582
100 H ILE 14 H ILE 14 7.798 7.992 4.076
101 HA ILE 14 HA ILE 14 9.504 8.131 1.840
102 HB ILE 14 HB ILE 14 10.991 6.699 3.266
103 HG12 ILE 14 2HG1 ILE 14 8.471 6.502 4.947
104 HG13 ILE 14 1HG1 ILE 14 9.321 5.169 4.167
105 HG21 ILE 14 1HG2 ILE 14 11.419 8.651 4.288
106 HG22 ILE 14 2HG2 ILE 14 10.074 8.360 5.390
107 HG23 ILE 14 3HG2 ILE 14 9.804 9.228 3.879
108 HD11 ILE 14 3HD1 ILE 14 11.327 5.671 5.548
109 HD12 ILE 14 1HD1 ILE 14 9.927 5.259 6.537
110 HD13 ILE 14 2HD1 ILE 14 10.421 6.943 6.366
111 H VAL 15 H VAL 15 10.840 5.743 1.573
112 HA VAL 15 HA VAL 15 9.077 4.259 -0.219
113 HB VAL 15 HB VAL 15 11.957 4.010 0.672
114 HG11 VAL 15 1HG1 VAL 15 11.415 2.587 -1.752
115 HG12 VAL 15 2HG1 VAL 15 10.295 2.014 -0.516
116 HG13 VAL 15 3HG1 VAL 15 12.034 1.948 -0.229
117 HG21 VAL 15 3HG2 VAL 15 11.383 4.473 -2.147
118 HG22 VAL 15 1HG2 VAL 15 12.386 5.417 -1.045
119 HG23 VAL 15 2HG2 VAL 15 10.649 5.712 -1.128
120 HA PRO 16 HA PRO 16 9.871 0.785 2.993
121 HB2 PRO 16 2HB PRO 16 10.607 1.544 5.519
122 HB3 PRO 16 1HB PRO 16 11.777 1.142 4.246
123 HG2 PRO 16 2HG PRO 16 10.878 3.804 5.218
124 HG3 PRO 16 1HG PRO 16 12.489 3.270 4.714
125 HD2 PRO 16 2HD PRO 16 10.837 4.757 3.147
126 HD3 PRO 16 1HD PRO 16 12.065 3.649 2.497
127 H GLU 17 H GLU 17 8.229 3.696 3.334
128 HA GLU 17 HA GLU 17 6.411 2.760 5.486
129 HB2 GLU 17 2HB GLU 17 7.172 5.266 4.139
130 HB3 GLU 17 1HB GLU 17 5.441 5.137 4.457
131 HG2 GLU 17 2HG GLU 17 7.571 4.628 6.551
132 HG3 GLU 17 1HG GLU 17 6.760 6.179 6.340
133 H ARG 18 H ARG 18 6.690 2.735 2.061
134 HA ARG 18 HA ARG 18 3.755 2.303 1.692
135 HB2 ARG 18 2HB ARG 18 5.874 3.610 0.261
136 HB3 ARG 18 1HB ARG 18 5.232 2.314 -0.750
137 HG2 ARG 18 2HG ARG 18 2.909 3.195 -0.191
138 HG3 ARG 18 1HG ARG 18 3.707 4.610 0.498
139 HD2 ARG 18 2HD ARG 18 4.251 3.665 -2.332
140 HD3 ARG 18 1HD ARG 18 3.001 4.863 -1.941
141 HE ARG 18 HE ARG 18 5.366 5.664 -0.609
142 HH11 ARG 18 1HH2 ARG 18 3.927 5.433 -3.728
143 HH12 ARG 18 2HH2 ARG 18 5.027 6.547 -4.466
144 HH21 ARG 18 1HH1 ARG 18 6.903 7.018 -1.588
145 HH22 ARG 18 2HH1 ARG 18 6.711 7.445 -3.256
146 H HIS 19 H HIS 19 6.908 0.895 0.696
147 HA HIS 19 HA HIS 19 5.864 -1.502 -0.434
148 HB2 HIS 19 2HB HIS 19 8.481 -0.770 0.908
149 HB3 HIS 19 1HB HIS 19 8.235 -2.270 0.023
150 HD1 HIS 19 1HD HIS 19 9.090 -2.085 -2.305
151 HD2 HIS 19 2HD HIS 19 7.501 1.530 -0.970
152 HE1 HIS 19 1HE HIS 19 9.321 -0.450 -4.225
153 H GLU 20 H GLU 20 6.787 -0.673 2.898
154 HA GLU 20 HA GLU 20 6.440 -3.367 3.935
155 HB2 GLU 20 2HB GLU 20 7.899 -1.837 5.061
156 HB3 GLU 20 1HB GLU 20 6.653 -0.588 5.119
157 HG2 GLU 20 2HG GLU 20 5.661 -1.489 6.957
158 HG3 GLU 20 1HG GLU 20 5.878 -3.142 6.379
159 H CYS 21 H CYS 21 4.294 -0.728 3.210
160 HA CYS 21 HA CYS 21 2.185 -1.227 5.068
161 HB2 CYS 21 2HB CYS 21 2.279 0.781 3.736
162 HB3 CYS 21 1HB CYS 21 2.293 -0.147 2.237
163 H CYS 22 H CYS 22 2.851 -2.604 1.844
164 HA CYS 22 HA CYS 22 0.436 -4.231 1.799
165 HB2 CYS 22 2HB CYS 22 3.032 -4.253 0.227
166 HB3 CYS 22 1HB CYS 22 1.605 -5.198 -0.202
167 H ARG 23 H ARG 23 3.915 -4.983 2.252
168 HA ARG 23 HA ARG 23 3.505 -7.776 2.828
169 HB2 ARG 23 2HB ARG 23 5.619 -5.842 2.595
170 HB3 ARG 23 1HB ARG 23 5.867 -6.778 4.069
171 HG2 ARG 23 2HG ARG 23 5.899 -8.839 2.887
172 HG3 ARG 23 1HG ARG 23 5.219 -8.105 1.435
173 HD2 ARG 23 2HD ARG 23 7.653 -6.721 2.163
174 HD3 ARG 23 1HD ARG 23 7.961 -8.463 2.011
175 HE ARG 23 HE ARG 23 6.445 -7.000 -0.111
176 HH11 ARG 23 1HH2 ARG 23 9.366 -6.803 -0.507
177 HH12 ARG 23 2HH2 ARG 23 9.726 -8.217 -1.440
178 HH21 ARG 23 1HH1 ARG 23 6.738 -9.802 -0.680
179 HH22 ARG 23 2HH1 ARG 23 8.239 -9.915 -1.538
180 H ALA 24 H ALA 24 2.959 -4.942 4.694
181 HA ALA 24 HA ALA 24 3.348 -6.258 7.309
182 HB1 ALA 24 3HB ALA 24 2.455 -3.996 8.068
183 HB2 ALA 24 1HB ALA 24 2.359 -3.554 6.364
184 HB3 ALA 24 2HB ALA 24 3.921 -3.929 7.091
185 H HIS 25 H HIS 25 0.690 -5.338 5.155
186 HA HIS 25 HA HIS 25 -1.316 -6.266 7.145
187 HB2 HIS 25 2HB HIS 25 -1.388 -4.839 4.477
188 HB3 HIS 25 1HB HIS 25 -2.856 -5.383 5.290
189 HD1 HIS 25 1HD HIS 25 -3.838 -3.270 6.227
190 HD2 HIS 25 2HD HIS 25 0.247 -3.565 7.004
191 HE1 HIS 25 1HE HIS 25 -3.256 -1.328 7.746
192 H GLY 26 H GLY 26 0.229 -8.396 6.320
193 HA2 GLY 26 2HA GLY 26 0.201 -10.442 5.142
194 HA3 GLY 26 1HA GLY 26 -1.530 -10.351 5.467
195 H ARG 27 H ARG 27 0.461 -8.268 3.369
196 HA ARG 27 HA ARG 27 -1.286 -9.115 1.079
197 HB2 ARG 27 2HB ARG 27 -0.792 -6.594 2.313
198 HB3 ARG 27 1HB ARG 27 -0.050 -6.545 0.712
199 HG2 ARG 27 2HG ARG 27 -2.411 -5.817 0.622
200 HG3 ARG 27 1HG ARG 27 -2.166 -7.301 -0.300
201 HD2 ARG 27 2HD ARG 27 -3.038 -8.646 1.556
202 HD3 ARG 27 1HD ARG 27 -3.209 -7.189 2.556
203 HE ARG 27 HE ARG 27 -4.551 -7.010 -0.044
204 HH11 ARG 27 1HH1 ARG 27 -5.015 -8.938 2.662
205 HH12 ARG 27 2HH1 ARG 27 -6.612 -8.367 3.015
206 HH21 ARG 27 1HH2 ARG 27 -6.507 -5.820 0.665
207 HH22 ARG 27 2HH2 ARG 27 -7.456 -6.601 1.883
208 H SER 28 H SER 28 0.109 -7.971 -0.992
209 HA SER 28 HA SER 28 2.636 -9.559 -0.995
210 HB2 SER 28 2HB SER 28 0.658 -9.769 -2.668
211 HB3 SER 28 1HB SER 28 1.261 -8.261 -3.348
212 HG SER 28 HG SER 28 2.432 -10.807 -3.266
213 H GLY 29 H GLY 29 3.466 -7.934 -3.405
214 HA2 GLY 29 2HA GLY 29 4.996 -5.923 -1.938
215 HA3 GLY 29 1HA GLY 29 5.107 -6.250 -3.669
216 H TYR 30 H TYR 30 5.079 -3.626 -2.896
217 HA TYR 30 HA TYR 30 2.433 -2.464 -2.764
218 HB2 TYR 30 2HB TYR 30 3.643 -0.421 -2.838
219 HB3 TYR 30 1HB TYR 30 4.758 -1.552 -2.073
220 HD1 TYR 30 2HD TYR 30 6.588 -2.613 -3.435
221 HD2 TYR 30 1HD TYR 30 4.117 0.547 -4.972
222 HE1 TYR 30 2HE TYR 30 8.239 -2.199 -5.240
223 HE2 TYR 30 1HE TYR 30 5.768 0.961 -6.775
224 HH TYR 30 HH TYR 30 8.739 -1.000 -7.033
225 H ALA 31 H ALA 31 1.220 -1.517 -4.476
226 HA ALA 31 HA ALA 31 2.068 -2.348 -7.232
227 HB1 ALA 31 3HB ALA 31 -0.720 -1.556 -6.832
228 HB2 ALA 31 1HB ALA 31 -0.238 -2.874 -5.763
229 HB3 ALA 31 2HB ALA 31 -0.072 -3.049 -7.511
230 H TYR 32 H TYR 32 -0.235 0.035 -5.928
231 HA TYR 32 HA TYR 32 1.207 2.367 -6.834
232 HB2 TYR 32 2HB TYR 32 -0.408 2.685 -8.834
233 HB3 TYR 32 1HB TYR 32 0.873 1.486 -9.024
234 HD1 TYR 32 1HD TYR 32 -2.720 1.921 -8.166
235 HD2 TYR 32 2HD TYR 32 0.369 -0.853 -9.277
236 HE1 TYR 32 1HE TYR 32 -4.431 0.169 -8.529
237 HE2 TYR 32 2HE TYR 32 -1.346 -2.604 -9.642
238 HH TYR 32 HH TYR 32 -4.716 -2.094 -8.775
239 H CYS 33 H CYS 33 -0.017 4.300 -6.393
240 HA CYS 33 HA CYS 33 -2.453 3.839 -4.738
241 HB2 CYS 33 2HB CYS 33 -0.535 6.156 -5.136
242 HB3 CYS 33 1HB CYS 33 -1.956 6.244 -4.095
243 H SER 34 H SER 34 -4.329 3.952 -5.919
244 HA SER 34 HA SER 34 -4.448 5.644 -8.352
245 HB2 SER 34 2HB SER 34 -6.223 4.244 -8.937
246 HB3 SER 34 1HB SER 34 -5.269 3.168 -7.917
247 HG SER 34 HG SER 34 -7.612 3.382 -7.460
248 H GLY 35 H GLY 35 -4.404 6.855 -5.596
249 HA2 GLY 35 2HA GLY 35 -5.500 8.602 -4.477
250 HA3 GLY 35 1HA GLY 35 -6.383 8.869 -5.980
251 H GLY 36 H GLY 36 -6.956 8.363 -2.847
252 HA2 GLY 36 2HA GLY 36 -9.087 7.918 -1.867
253 HA3 GLY 36 1HA GLY 36 -9.609 7.197 -3.391
254 H GLY 37 H GLY 37 -6.936 5.646 -3.332
255 HA2 GLY 37 2HA GLY 37 -6.880 3.921 -1.084
256 HA3 GLY 37 1HA GLY 37 -7.976 3.210 -2.271
257 H MET 38 H MET 38 -5.118 2.548 -1.293
258 HA MET 38 HA MET 38 -3.709 2.622 -3.924
259 HB2 MET 38 2HB MET 38 -2.401 3.484 -2.131
260 HB3 MET 38 1HB MET 38 -2.908 2.193 -1.042
261 HG2 MET 38 2HG MET 38 -1.650 0.550 -2.303
262 HG3 MET 38 1HG MET 38 -1.267 1.739 -3.549
263 HE1 MET 38 3HE MET 38 1.142 2.068 -3.673
264 HE2 MET 38 1HE MET 38 1.118 0.467 -2.918
265 HE3 MET 38 2HE MET 38 2.243 1.698 -2.347
266 H TYR 39 H TYR 39 -2.434 0.534 -4.386
267 HA TYR 39 HA TYR 39 -3.939 -1.885 -3.466
268 HB2 TYR 39 2HB TYR 39 -3.093 -1.186 -6.298
269 HB3 TYR 39 1HB TYR 39 -3.982 -2.630 -5.808
270 HD1 TYR 39 2HD TYR 39 -4.155 1.107 -5.719
271 HD2 TYR 39 1HD TYR 39 -6.327 -2.597 -5.692
272 HE1 TYR 39 2HE TYR 39 -6.289 2.357 -5.879
273 HE2 TYR 39 1HE TYR 39 -8.462 -1.348 -5.853
274 HH TYR 39 HH TYR 39 -9.299 0.938 -5.297
275 H CYS 40 H CYS 40 -2.676 -3.847 -3.549
276 HA CYS 40 HA CYS 40 0.285 -3.341 -3.657
277 HB2 CYS 40 2HB CYS 40 -1.388 -5.338 -2.100
278 HB3 CYS 40 1HB CYS 40 0.369 -5.239 -2.033
279 H ASN 41 H ASN 41 1.415 -4.471 -5.191
280 HA ASN 41 HA ASN 41 0.334 -5.936 -7.292
281 HB2 ASN 41 2HB ASN 41 2.614 -5.178 -7.296
282 HB3 ASN 41 1HB ASN 41 2.993 -6.119 -5.853
283 HD21 ASN 41 1HD2 ASN 41 4.496 -7.632 -6.672
284 HD22 ASN 41 2HD2 ASN 41 4.169 -8.688 -7.960
Start of MODEL 25
1 H1 ALA 1 1HT ALA 1 -2.952 -8.110 -8.679
2 H2 ALA 1 2HT ALA 1 -4.617 -8.042 -8.352
3 H3 ALA 1 3HT ALA 1 -3.580 -8.904 -7.318
4 HA ALA 1 HA ALA 1 -2.459 -6.816 -6.706
5 HB1 ALA 1 3HB ALA 1 -4.039 -4.819 -7.566
6 HB2 ALA 1 1HB ALA 1 -4.335 -5.969 -8.870
7 HB3 ALA 1 2HB ALA 1 -2.693 -5.421 -8.534
8 H VAL 2 H VAL 2 -3.478 -5.349 -5.034
9 HA VAL 2 HA VAL 2 -6.228 -6.147 -4.214
10 HB VAL 2 HB VAL 2 -5.185 -6.457 -1.860
11 HG11 VAL 2 1HG1 VAL 2 -4.066 -8.677 -3.339
12 HG12 VAL 2 2HG1 VAL 2 -5.619 -8.206 -4.027
13 HG13 VAL 2 3HG1 VAL 2 -5.505 -8.637 -2.322
14 HG21 VAL 2 3HG2 VAL 2 -2.896 -5.644 -3.258
15 HG22 VAL 2 1HG2 VAL 2 -2.684 -7.380 -3.029
16 HG23 VAL 2 2HG2 VAL 2 -2.940 -6.331 -1.635
17 H ARG 3 H ARG 3 -6.136 -4.877 -1.685
18 HA ARG 3 HA ARG 3 -5.274 -2.078 -2.208
19 HB2 ARG 3 2HB ARG 3 -7.428 -1.977 -3.085
20 HB3 ARG 3 1HB ARG 3 -8.039 -3.222 -2.007
21 HG2 ARG 3 2HG ARG 3 -8.871 -0.882 -1.500
22 HG3 ARG 3 1HG ARG 3 -8.101 -1.705 -0.145
23 HD2 ARG 3 2HD ARG 3 -5.921 -0.517 -0.927
24 HD3 ARG 3 1HD ARG 3 -7.010 0.541 -1.844
25 HE ARG 3 HE ARG 3 -7.095 0.192 1.128
26 HH11 ARG 3 1HH2 ARG 3 -9.741 0.905 -0.027
27 HH12 ARG 3 2HH2 ARG 3 -9.703 2.637 -0.010
28 HH21 ARG 3 1HH1 ARG 3 -6.264 2.824 0.388
29 HH22 ARG 3 2HH1 ARG 3 -7.735 3.722 0.229
30 H ILE 4 H ILE 4 -4.178 -1.534 -0.371
31 HA ILE 4 HA ILE 4 -4.931 -2.789 2.224
32 HB ILE 4 HB ILE 4 -2.525 -1.418 1.044
33 HG12 ILE 4 2HG1 ILE 4 -2.888 -3.881 0.798
34 HG13 ILE 4 1HG1 ILE 4 -1.425 -3.491 1.702
35 HG21 ILE 4 1HG2 ILE 4 -3.316 -1.601 3.913
36 HG22 ILE 4 2HG2 ILE 4 -2.332 -0.386 3.098
37 HG23 ILE 4 3HG2 ILE 4 -1.634 -1.951 3.517
38 HD11 ILE 4 3HD1 ILE 4 -2.442 -5.165 3.012
39 HD12 ILE 4 1HD1 ILE 4 -4.060 -4.514 2.748
40 HD13 ILE 4 2HD1 ILE 4 -2.931 -3.669 3.808
41 H GLY 5 H GLY 5 -5.449 -1.477 4.033
42 HA2 GLY 5 2HA GLY 5 -6.861 0.948 3.508
43 HA3 GLY 5 1HA GLY 5 -6.430 0.358 5.106
44 HA PRO 6 HA PRO 6 -3.386 3.459 5.460
45 HB2 PRO 6 2HB PRO 6 -1.251 2.205 6.607
46 HB3 PRO 6 1HB PRO 6 -2.750 2.584 7.468
47 HG2 PRO 6 2HG PRO 6 -1.800 0.001 6.364
48 HG3 PRO 6 1HG PRO 6 -2.774 0.321 7.807
49 HD2 PRO 6 2HD PRO 6 -3.771 -0.596 5.398
50 HD3 PRO 6 1HD PRO 6 -4.729 0.215 6.651
51 H CYS 7 H CYS 7 -3.165 1.676 2.896
52 HA CYS 7 HA CYS 7 -0.272 2.019 2.328
53 HB2 CYS 7 2HB CYS 7 -2.524 0.395 1.420
54 HB3 CYS 7 1HB CYS 7 -1.595 1.050 0.075
55 H ASP 8 H ASP 8 -3.416 3.373 1.698
56 HA ASP 8 HA ASP 8 -2.429 5.193 -0.423
57 HB2 ASP 8 2HB ASP 8 -4.759 5.816 -0.567
58 HB3 ASP 8 1HB ASP 8 -4.737 4.070 -0.325
59 H GLN 9 H GLN 9 -3.211 5.061 2.985
60 HA GLN 9 HA GLN 9 -3.060 7.933 3.478
61 HB2 GLN 9 2HB GLN 9 -4.354 6.361 4.877
62 HB3 GLN 9 1HB GLN 9 -2.876 5.483 5.270
63 HG2 GLN 9 2HG GLN 9 -2.039 7.221 6.597
64 HG3 GLN 9 1HG GLN 9 -3.058 8.434 5.820
65 HE21 GLN 9 1HE2 GLN 9 -2.782 7.393 8.765
66 HE22 GLN 9 2HE2 GLN 9 -4.395 7.130 9.228
67 H VAL 10 H VAL 10 -0.901 5.107 3.911
68 HA VAL 10 HA VAL 10 1.339 6.906 4.671
69 HB VAL 10 HB VAL 10 0.637 4.529 5.600
70 HG11 VAL 10 1HG1 VAL 10 1.603 2.657 4.495
71 HG12 VAL 10 2HG1 VAL 10 2.549 3.683 3.417
72 HG13 VAL 10 3HG1 VAL 10 0.801 3.572 3.218
73 HG21 VAL 10 3HG2 VAL 10 3.477 5.381 4.973
74 HG22 VAL 10 1HG2 VAL 10 3.070 4.079 6.092
75 HG23 VAL 10 2HG2 VAL 10 2.559 5.731 6.438
76 H CYS 11 H CYS 11 -0.066 6.295 1.842
77 HA CYS 11 HA CYS 11 1.973 5.290 0.101
78 HB2 CYS 11 2HB CYS 11 -0.646 5.874 -0.087
79 HB3 CYS 11 1HB CYS 11 0.008 7.332 -0.830
80 HA PRO 12 HA PRO 12 3.104 9.872 -0.597
81 HB2 PRO 12 2HB PRO 12 2.231 11.725 1.209
82 HB3 PRO 12 1HB PRO 12 1.297 11.251 -0.223
83 HG2 PRO 12 2HG PRO 12 0.917 10.502 2.611
84 HG3 PRO 12 1HG PRO 12 -0.275 10.692 1.319
85 HD2 PRO 12 2HD PRO 12 0.724 8.275 2.283
86 HD3 PRO 12 1HD PRO 12 -0.153 8.504 0.754
87 H ARG 13 H ARG 13 3.884 7.881 1.718
88 HA ARG 13 HA ARG 13 5.614 9.735 3.295
89 HB2 ARG 13 2HB ARG 13 4.748 6.847 3.654
90 HB3 ARG 13 1HB ARG 13 5.810 7.709 4.769
91 HG2 ARG 13 2HG ARG 13 3.698 9.464 4.477
92 HG3 ARG 13 1HG ARG 13 2.899 7.894 4.449
93 HD2 ARG 13 2HD ARG 13 3.348 7.499 6.651
94 HD3 ARG 13 1HD ARG 13 4.992 8.159 6.523
95 HE ARG 13 HE ARG 13 3.717 10.447 6.347
96 HH11 ARG 13 1HH1 ARG 13 1.259 8.570 7.097
97 HH12 ARG 13 2HH1 ARG 13 1.029 9.080 8.735
98 HH21 ARG 13 1HH2 ARG 13 4.069 10.737 8.928
99 HH22 ARG 13 2HH2 ARG 13 2.620 10.306 9.772
100 H ILE 14 H ILE 14 7.687 8.108 3.984
101 HA ILE 14 HA ILE 14 9.490 8.200 1.831
102 HB ILE 14 HB ILE 14 10.808 6.602 3.251
103 HG12 ILE 14 2HG1 ILE 14 8.188 6.514 4.778
104 HG13 ILE 14 1HG1 ILE 14 9.032 5.156 4.034
105 HG21 ILE 14 1HG2 ILE 14 11.202 8.188 4.900
106 HG22 ILE 14 2HG2 ILE 14 9.489 8.560 5.096
107 HG23 ILE 14 3HG2 ILE 14 10.368 9.162 3.691
108 HD11 ILE 14 3HD1 ILE 14 9.992 6.820 6.376
109 HD12 ILE 14 1HD1 ILE 14 10.970 5.596 5.566
110 HD13 ILE 14 2HD1 ILE 14 9.496 5.128 6.414
111 H VAL 15 H VAL 15 10.681 5.803 1.423
112 HA VAL 15 HA VAL 15 8.822 4.463 -0.402
113 HB VAL 15 HB VAL 15 11.739 4.166 0.329
114 HG11 VAL 15 1HG1 VAL 15 11.340 2.812 -2.056
115 HG12 VAL 15 2HG1 VAL 15 9.945 2.331 -1.091
116 HG13 VAL 15 3HG1 VAL 15 11.576 2.055 -0.480
117 HG21 VAL 15 3HG2 VAL 15 10.967 6.158 -1.004
118 HG22 VAL 15 1HG2 VAL 15 10.368 5.043 -2.232
119 HG23 VAL 15 2HG2 VAL 15 12.094 5.121 -1.879
120 HA PRO 16 HA PRO 16 9.733 0.812 2.563
121 HB2 PRO 16 2HB PRO 16 10.551 1.417 5.105
122 HB3 PRO 16 1HB PRO 16 11.677 1.103 3.771
123 HG2 PRO 16 2HG PRO 16 10.820 3.687 4.955
124 HG3 PRO 16 1HG PRO 16 12.401 3.199 4.327
125 HD2 PRO 16 2HD PRO 16 10.626 4.775 2.971
126 HD3 PRO 16 1HD PRO 16 11.865 3.776 2.183
127 H GLU 17 H GLU 17 8.142 3.724 3.222
128 HA GLU 17 HA GLU 17 6.394 2.680 5.358
129 HB2 GLU 17 2HB GLU 17 7.027 5.213 4.003
130 HB3 GLU 17 1HB GLU 17 5.308 5.024 4.348
131 HG2 GLU 17 2HG GLU 17 7.457 4.539 6.422
132 HG3 GLU 17 1HG GLU 17 6.674 6.105 6.204
133 H ARG 18 H ARG 18 6.562 2.650 1.931
134 HA ARG 18 HA ARG 18 3.632 2.133 1.643
135 HB2 ARG 18 2HB ARG 18 5.662 3.496 0.157
136 HB3 ARG 18 1HB ARG 18 5.090 2.147 -0.825
137 HG2 ARG 18 2HG ARG 18 2.925 2.967 -0.940
138 HG3 ARG 18 1HG ARG 18 3.066 3.847 0.582
139 HD2 ARG 18 2HD ARG 18 3.043 5.347 -1.454
140 HD3 ARG 18 1HD ARG 18 4.512 5.519 -0.473
141 HE ARG 18 HE ARG 18 4.817 3.435 -2.458
142 HH11 ARG 18 1HH1 ARG 18 3.938 5.561 -4.260
143 HH12 ARG 18 2HH1 ARG 18 5.386 6.463 -4.558
144 HH21 ARG 18 1HH2 ARG 18 7.081 5.148 -1.834
145 HH22 ARG 18 2HH2 ARG 18 7.166 6.230 -3.184
146 H HIS 19 H HIS 19 6.764 0.814 0.465
147 HA HIS 19 HA HIS 19 5.743 -1.640 -0.546
148 HB2 HIS 19 2HB HIS 19 8.360 -0.550 0.420
149 HB3 HIS 19 1HB HIS 19 8.247 -2.282 0.113
150 HD1 HIS 19 1HD HIS 19 7.647 -3.022 -2.348
151 HD2 HIS 19 2HD HIS 19 8.347 1.062 -1.889
152 HE1 HIS 19 1HE HIS 19 7.941 -2.079 -4.680
153 H GLU 20 H GLU 20 6.774 -0.710 2.721
154 HA GLU 20 HA GLU 20 6.587 -3.401 3.821
155 HB2 GLU 20 2HB GLU 20 8.017 -1.516 4.663
156 HB3 GLU 20 1HB GLU 20 6.548 -0.681 5.168
157 HG2 GLU 20 2HG GLU 20 6.544 -3.415 6.128
158 HG3 GLU 20 1HG GLU 20 8.001 -2.573 6.656
159 H CYS 21 H CYS 21 4.339 -0.827 3.178
160 HA CYS 21 HA CYS 21 2.335 -1.449 5.146
161 HB2 CYS 21 2HB CYS 21 2.312 0.658 4.019
162 HB3 CYS 21 1HB CYS 21 2.368 -0.109 2.432
163 H CYS 22 H CYS 22 2.893 -2.598 1.816
164 HA CYS 22 HA CYS 22 0.466 -4.199 1.714
165 HB2 CYS 22 2HB CYS 22 3.043 -4.192 0.108
166 HB3 CYS 22 1HB CYS 22 1.578 -5.058 -0.357
167 H ARG 23 H ARG 23 3.796 -4.751 2.733
168 HA ARG 23 HA ARG 23 3.429 -7.674 2.905
169 HB2 ARG 23 2HB ARG 23 5.588 -5.648 3.169
170 HB3 ARG 23 1HB ARG 23 5.795 -7.123 4.113
171 HG2 ARG 23 2HG ARG 23 5.241 -8.393 1.951
172 HG3 ARG 23 1HG ARG 23 5.483 -6.856 1.119
173 HD2 ARG 23 2HD ARG 23 7.674 -7.537 1.033
174 HD3 ARG 23 1HD ARG 23 7.722 -6.970 2.714
175 HE ARG 23 HE ARG 23 6.647 -9.598 2.725
176 HH11 ARG 23 1HH1 ARG 23 9.029 -8.620 4.333
177 HH12 ARG 23 2HH1 ARG 23 10.292 -9.636 3.723
178 HH21 ARG 23 1HH2 ARG 23 8.509 -10.621 0.918
179 HH22 ARG 23 2HH2 ARG 23 9.998 -10.768 1.789
180 H ALA 24 H ALA 24 2.939 -4.916 4.922
181 HA ALA 24 HA ALA 24 3.245 -6.395 7.458
182 HB1 ALA 24 3HB ALA 24 2.659 -3.610 6.530
183 HB2 ALA 24 1HB ALA 24 3.867 -4.171 7.686
184 HB3 ALA 24 2HB ALA 24 2.174 -4.053 8.166
185 H HIS 25 H HIS 25 0.674 -5.363 5.277
186 HA HIS 25 HA HIS 25 -1.426 -6.196 7.207
187 HB2 HIS 25 2HB HIS 25 -1.336 -4.822 4.515
188 HB3 HIS 25 1HB HIS 25 -2.860 -5.335 5.241
189 HD1 HIS 25 1HD HIS 25 -3.918 -3.634 6.716
190 HD2 HIS 25 2HD HIS 25 0.212 -3.108 6.502
191 HE1 HIS 25 1HE HIS 25 -3.388 -1.570 8.084
192 H GLY 26 H GLY 26 0.191 -8.350 6.359
193 HA2 GLY 26 2HA GLY 26 0.131 -10.408 5.203
194 HA3 GLY 26 1HA GLY 26 -1.587 -10.329 5.598
195 H ARG 27 H ARG 27 0.259 -8.200 3.431
196 HA ARG 27 HA ARG 27 -1.569 -9.061 1.214
197 HB2 ARG 27 2HB ARG 27 -1.092 -6.569 2.424
198 HB3 ARG 27 1HB ARG 27 -0.249 -6.494 0.876
199 HG2 ARG 27 2HG ARG 27 -2.482 -5.758 0.439
200 HG3 ARG 27 1HG ARG 27 -2.384 -7.405 -0.183
201 HD2 ARG 27 2HD ARG 27 -3.334 -8.217 2.016
202 HD3 ARG 27 1HD ARG 27 -3.616 -6.518 2.446
203 HE ARG 27 HE ARG 27 -4.724 -6.691 -0.063
204 HH11 ARG 27 1HH1 ARG 27 -4.934 -9.651 0.977
205 HH12 ARG 27 2HH1 ARG 27 -6.589 -9.656 1.486
206 HH21 ARG 27 1HH2 ARG 27 -6.907 -6.205 1.388
207 HH22 ARG 27 2HH2 ARG 27 -7.707 -7.705 1.718
208 H SER 28 H SER 28 -0.200 -7.827 -0.875
209 HA SER 28 HA SER 28 2.172 -9.598 -1.126
210 HB2 SER 28 2HB SER 28 1.893 -9.059 -3.519
211 HB3 SER 28 1HB SER 28 0.359 -9.571 -2.820
212 HG SER 28 HG SER 28 -0.411 -7.669 -3.245
213 H GLY 29 H GLY 29 3.086 -7.640 -3.309
214 HA2 GLY 29 2HA GLY 29 4.797 -6.025 -1.524
215 HA3 GLY 29 1HA GLY 29 5.026 -6.239 -3.261
216 H TYR 30 H TYR 30 5.141 -4.019 -3.753
217 HA TYR 30 HA TYR 30 2.674 -2.414 -3.175
218 HB2 TYR 30 2HB TYR 30 4.520 -1.374 -2.142
219 HB3 TYR 30 1HB TYR 30 5.612 -1.803 -3.458
220 HD1 TYR 30 2HD TYR 30 5.316 -0.675 -5.717
221 HD2 TYR 30 1HD TYR 30 3.330 0.682 -2.158
222 HE1 TYR 30 2HE TYR 30 4.883 1.516 -6.795
223 HE2 TYR 30 1HE TYR 30 2.899 2.874 -3.236
224 HH TYR 30 HH TYR 30 3.992 3.528 -6.570
225 H ALA 31 H ALA 31 1.427 -1.998 -4.958
226 HA ALA 31 HA ALA 31 2.589 -2.434 -7.670
227 HB1 ALA 31 3HB ALA 31 0.380 -3.432 -6.701
228 HB2 ALA 31 1HB ALA 31 0.344 -2.764 -8.333
229 HB3 ALA 31 2HB ALA 31 -0.284 -1.822 -6.981
230 H TYR 32 H TYR 32 0.367 -0.113 -6.100
231 HA TYR 32 HA TYR 32 1.779 2.234 -7.002
232 HB2 TYR 32 2HB TYR 32 -0.064 2.744 -8.772
233 HB3 TYR 32 1HB TYR 32 1.191 1.581 -9.203
234 HD1 TYR 32 2HD TYR 32 -2.323 1.960 -8.108
235 HD2 TYR 32 1HD TYR 32 0.694 -0.788 -9.456
236 HE1 TYR 32 2HE TYR 32 -4.061 0.231 -8.463
237 HE2 TYR 32 1HE TYR 32 -1.048 -2.515 -9.808
238 HH TYR 32 HH TYR 32 -3.214 -3.079 -9.275
239 H CYS 33 H CYS 33 -0.123 4.103 -7.189
240 HA CYS 33 HA CYS 33 -1.984 3.650 -4.877
241 HB2 CYS 33 2HB CYS 33 0.278 5.243 -4.958
242 HB3 CYS 33 1HB CYS 33 -1.005 6.389 -5.336
243 H SER 34 H SER 34 -4.025 3.728 -5.728
244 HA SER 34 HA SER 34 -4.557 5.355 -8.154
245 HB2 SER 34 2HB SER 34 -6.296 3.863 -8.468
246 HB3 SER 34 1HB SER 34 -5.267 2.863 -7.444
247 HG SER 34 HG SER 34 -7.630 3.259 -6.883
248 H GLY 35 H GLY 35 -6.112 7.046 -8.163
249 HA2 GLY 35 2HA GLY 35 -6.347 8.612 -5.781
250 HA3 GLY 35 1HA GLY 35 -7.280 8.871 -7.256
251 H GLY 36 H GLY 36 -7.396 7.708 -4.044
252 HA2 GLY 36 2HA GLY 36 -9.813 7.650 -3.205
253 HA3 GLY 36 1HA GLY 36 -10.101 6.531 -4.539
254 H GLY 37 H GLY 37 -7.450 5.244 -4.195
255 HA2 GLY 37 2HA GLY 37 -7.272 4.180 -1.519
256 HA3 GLY 37 1HA GLY 37 -8.132 3.062 -2.578
257 H MET 38 H MET 38 -5.482 2.695 -1.336
258 HA MET 38 HA MET 38 -3.597 2.876 -3.621
259 HB2 MET 38 2HB MET 38 -3.187 3.372 -1.085
260 HB3 MET 38 1HB MET 38 -3.065 1.620 -0.934
261 HG2 MET 38 2HG MET 38 -1.520 2.995 -3.103
262 HG3 MET 38 1HG MET 38 -0.910 3.063 -1.450
263 HE1 MET 38 3HE MET 38 1.034 1.258 -0.941
264 HE2 MET 38 1HE MET 38 1.088 2.182 -2.449
265 HE3 MET 38 2HE MET 38 1.481 0.465 -2.449
266 H TYR 39 H TYR 39 -2.417 0.904 -4.291
267 HA TYR 39 HA TYR 39 -3.965 -1.616 -3.809
268 HB2 TYR 39 2HB TYR 39 -2.991 -0.321 -6.360
269 HB3 TYR 39 1HB TYR 39 -3.425 -2.032 -6.291
270 HD1 TYR 39 1HD TYR 39 -4.759 1.340 -5.324
271 HD2 TYR 39 2HD TYR 39 -5.645 -2.655 -6.626
272 HE1 TYR 39 1HE TYR 39 -7.162 1.926 -5.492
273 HE2 TYR 39 2HE TYR 39 -8.047 -2.069 -6.799
274 HH TYR 39 HH TYR 39 -9.211 1.185 -5.909
275 H CYS 40 H CYS 40 -2.694 -3.444 -3.527
276 HA CYS 40 HA CYS 40 0.268 -3.003 -3.521
277 HB2 CYS 40 2HB CYS 40 -1.603 -4.906 -2.086
278 HB3 CYS 40 1HB CYS 40 0.152 -5.036 -1.988
279 H ASN 41 H ASN 41 1.574 -4.310 -4.796
280 HA ASN 41 HA ASN 41 0.647 -5.587 -7.110
281 HB2 ASN 41 2HB ASN 41 3.049 -5.024 -5.903
282 HB3 ASN 41 1HB ASN 41 3.027 -6.787 -5.842
283 HD21 ASN 41 1HD2 ASN 41 2.614 -7.921 -7.985
284 HD22 ASN 41 2HD2 ASN 41 3.130 -7.163 -9.414
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