Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505796 | 2yu8 RC | 10234 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -34.224 -1.965 -7.566
2 HA2 GLY 1 1HA GLY 1 -33.777 -4.409 -5.979
3 HA3 GLY 1 2HA GLY 1 -33.450 -4.401 -7.706
4 H SER 2 H SER 2 -31.311 -4.491 -7.932
5 HA SER 2 HA SER 2 -29.334 -3.828 -6.196
6 HB2 SER 2 1HB SER 2 -28.705 -4.937 -8.193
7 HB3 SER 2 2HB SER 2 -29.380 -3.662 -9.207
8 HG SER 2 HG SER 2 -26.942 -3.793 -7.901
9 H SER 3 H SER 3 -29.177 -2.017 -5.042
10 HA SER 3 HA SER 3 -29.747 0.560 -6.303
11 HB2 SER 3 1HB SER 3 -29.559 1.429 -3.942
12 HB3 SER 3 2HB SER 3 -30.850 0.254 -4.194
13 HG SER 3 HG SER 3 -29.922 -0.659 -2.525
14 H GLY 4 H GLY 4 -28.278 2.301 -6.238
15 HA2 GLY 4 1HA GLY 4 -25.493 1.443 -6.344
16 HA3 GLY 4 2HA GLY 4 -26.131 2.980 -6.908
17 H SER 5 H SER 5 -25.329 1.138 -3.997
18 HA SER 5 HA SER 5 -25.710 2.969 -2.019
19 HB2 SER 5 1HB SER 5 -23.336 1.117 -2.341
20 HB3 SER 5 2HB SER 5 -23.784 1.926 -0.839
21 HG SER 5 HG SER 5 -25.959 0.806 -1.463
22 H SER 6 H SER 6 -25.158 5.026 -1.834
23 HA SER 6 HA SER 6 -22.901 6.084 -3.326
24 HB2 SER 6 1HB SER 6 -25.233 7.259 -1.874
25 HB3 SER 6 2HB SER 6 -23.803 8.263 -2.114
26 HG SER 6 HG SER 6 -25.296 8.467 -3.837
27 H GLY 7 H GLY 7 -21.488 7.733 -2.185
28 HA2 GLY 7 1HA GLY 7 -20.140 8.383 -0.407
29 HA3 GLY 7 2HA GLY 7 -21.052 7.308 0.642
30 H THR 8 H THR 8 -19.363 6.512 -2.365
31 HA THR 8 HA THR 8 -17.521 4.831 -0.793
32 HB THR 8 HB THR 8 -18.600 4.096 -3.517
33 HG1 THR 8 HG1 THR 8 -19.595 3.644 -0.944
34 HG21 THR 8 3HG2 THR 8 -17.096 2.454 -3.472
35 HG22 THR 8 1HG2 THR 8 -17.687 1.911 -1.903
36 HG23 THR 8 2HG2 THR 8 -16.427 3.142 -1.993
37 H GLY 9 H GLY 9 -15.960 6.522 -0.908
38 HA2 GLY 9 1HA GLY 9 -13.841 6.923 -1.926
39 HA3 GLY 9 2HA GLY 9 -14.557 6.555 -3.489
40 H GLU 10 H GLU 10 -13.577 8.999 -1.403
41 HA GLU 10 HA GLU 10 -15.013 11.005 -3.014
42 HB2 GLU 10 1HB GLU 10 -14.563 10.834 -0.079
43 HB3 GLU 10 2HB GLU 10 -14.487 12.428 -0.817
44 HG2 GLU 10 1HG GLU 10 -16.732 12.084 -1.751
45 HG3 GLU 10 2HG GLU 10 -16.807 10.515 -0.951
46 H LYS 11 H LYS 11 -12.279 9.667 -3.158
47 HA LYS 11 HA LYS 11 -10.790 12.145 -3.589
48 HB2 LYS 11 1HB LYS 11 -9.928 9.865 -1.831
49 HB3 LYS 11 2HB LYS 11 -8.738 10.883 -2.632
50 HG2 LYS 11 1HG LYS 11 -10.901 12.145 -1.012
51 HG3 LYS 11 2HG LYS 11 -9.507 11.420 -0.207
52 HD2 LYS 11 1HD LYS 11 -7.998 12.866 -1.372
53 HD3 LYS 11 2HD LYS 11 -9.293 13.467 -2.410
54 HE2 LYS 11 1HE LYS 11 -10.365 14.528 -0.525
55 HE3 LYS 11 2HE LYS 11 -9.185 13.828 0.583
56 HZ1 LYS 11 3HZ LYS 11 -8.243 15.519 -1.626
57 HZ2 LYS 11 1HZ LYS 11 -7.556 15.262 -0.101
58 HZ3 LYS 11 2HZ LYS 11 -8.914 16.257 -0.260
59 HA PRO 12 HA PRO 12 -9.593 10.188 -7.337
60 HB2 PRO 12 1HB PRO 12 -7.241 11.456 -7.818
61 HB3 PRO 12 2HB PRO 12 -8.812 12.243 -8.004
62 HG2 PRO 12 1HG PRO 12 -6.876 12.394 -5.726
63 HG3 PRO 12 2HG PRO 12 -7.809 13.695 -6.490
64 HD2 PRO 12 1HD PRO 12 -8.553 12.549 -4.152
65 HD3 PRO 12 2HD PRO 12 -9.729 13.173 -5.327
66 H TYR 13 H TYR 13 -7.697 9.952 -4.487
67 HA TYR 13 HA TYR 13 -5.824 8.055 -5.677
68 HB2 TYR 13 1HB TYR 13 -5.959 8.991 -2.807
69 HB3 TYR 13 2HB TYR 13 -4.620 8.165 -3.595
70 HD1 TYR 13 HD1 TYR 13 -3.319 9.368 -5.373
71 HD2 TYR 13 HD2 TYR 13 -6.184 11.344 -2.925
72 HE1 TYR 13 HE1 TYR 13 -2.330 11.538 -5.976
73 HE2 TYR 13 HE2 TYR 13 -5.203 13.519 -3.523
74 HH TYR 13 HH TYR 13 -3.849 14.470 -5.416
75 H LYS 14 H LYS 14 -6.615 6.068 -5.931
76 HA LYS 14 HA LYS 14 -7.806 4.749 -3.601
77 HB2 LYS 14 1HB LYS 14 -9.743 5.310 -4.853
78 HB3 LYS 14 2HB LYS 14 -8.980 4.867 -6.374
79 HG2 LYS 14 1HG LYS 14 -8.952 2.506 -5.612
80 HG3 LYS 14 2HG LYS 14 -9.857 3.003 -4.180
81 HD2 LYS 14 1HD LYS 14 -11.722 3.685 -5.503
82 HD3 LYS 14 2HD LYS 14 -10.803 3.496 -6.998
83 HE2 LYS 14 1HE LYS 14 -11.441 1.234 -5.111
84 HE3 LYS 14 2HE LYS 14 -12.419 1.646 -6.519
85 HZ1 LYS 14 3HZ LYS 14 -11.062 0.088 -7.427
86 HZ2 LYS 14 1HZ LYS 14 -9.766 0.424 -6.393
87 HZ3 LYS 14 2HZ LYS 14 -10.093 1.448 -7.698
88 H CYS 15 H CYS 15 -6.973 2.791 -3.229
89 HA CYS 15 HA CYS 15 -4.839 1.805 -4.817
90 HB2 CYS 15 1HB CYS 15 -4.979 1.461 -2.374
91 HB3 CYS 15 2HB CYS 15 -6.374 0.414 -2.612
92 H ASN 16 H ASN 16 -4.891 0.552 -6.557
93 HA ASN 16 HA ASN 16 -7.418 -0.608 -7.404
94 HB2 ASN 16 1HB ASN 16 -4.787 -0.059 -8.723
95 HB3 ASN 16 2HB ASN 16 -5.871 -1.252 -9.434
96 HD21 ASN 16 1HD2 ASN 16 -4.927 1.669 -9.968
97 HD22 ASN 16 2HD2 ASN 16 -6.392 2.451 -10.444
98 H GLU 17 H GLU 17 -5.503 -1.658 -5.211
99 HA GLU 17 HA GLU 17 -5.059 -4.356 -6.269
100 HB2 GLU 17 1HB GLU 17 -4.157 -3.269 -3.602
101 HB3 GLU 17 2HB GLU 17 -3.591 -4.721 -4.415
102 HG2 GLU 17 1HG GLU 17 -3.112 -1.873 -5.250
103 HG3 GLU 17 2HG GLU 17 -1.928 -3.012 -4.612
104 H CYS 18 H CYS 18 -6.436 -2.740 -3.410
105 HA CYS 18 HA CYS 18 -8.089 -5.135 -2.953
106 HB2 CYS 18 1HB CYS 18 -8.323 -4.287 -0.620
107 HB3 CYS 18 2HB CYS 18 -6.663 -4.673 -1.060
108 H GLY 19 H GLY 19 -8.142 -1.586 -2.953
109 HA2 GLY 19 1HA GLY 19 -10.062 -0.615 -4.208
110 HA3 GLY 19 2HA GLY 19 -11.073 -1.737 -3.308
111 H LYS 20 H LYS 20 -8.388 0.234 -2.111
112 HA LYS 20 HA LYS 20 -10.270 1.485 -0.229
113 HB2 LYS 20 1HB LYS 20 -7.307 0.955 -0.072
114 HB3 LYS 20 2HB LYS 20 -8.123 2.048 1.038
115 HG2 LYS 20 1HG LYS 20 -9.391 0.317 1.984
116 HG3 LYS 20 2HG LYS 20 -9.017 -0.791 0.662
117 HD2 LYS 20 1HD LYS 20 -6.634 -0.741 1.376
118 HD3 LYS 20 2HD LYS 20 -7.113 0.237 2.766
119 HE2 LYS 20 1HE LYS 20 -8.434 -1.528 3.655
120 HE3 LYS 20 2HE LYS 20 -8.295 -2.467 2.169
121 HZ1 LYS 20 3HZ LYS 20 -6.813 -3.403 3.736
122 HZ2 LYS 20 1HZ LYS 20 -6.162 -1.897 4.147
123 HZ3 LYS 20 2HZ LYS 20 -5.855 -2.564 2.623
124 H VAL 21 H VAL 21 -9.685 3.742 0.441
125 HA VAL 21 HA VAL 21 -8.581 5.279 -1.817
126 HB VAL 21 HB VAL 21 -10.884 6.252 -0.137
127 HG11 VAL 21 1HG1 VAL 21 -10.047 7.109 -2.896
128 HG12 VAL 21 2HG1 VAL 21 -11.131 7.935 -1.775
129 HG13 VAL 21 3HG1 VAL 21 -9.403 7.849 -1.431
130 HG21 VAL 21 3HG2 VAL 21 -12.271 4.885 -1.208
131 HG22 VAL 21 1HG2 VAL 21 -11.784 5.623 -2.734
132 HG23 VAL 21 2HG2 VAL 21 -10.932 4.202 -2.130
133 H PHE 22 H PHE 22 -7.574 7.260 -1.292
134 HA PHE 22 HA PHE 22 -7.067 7.739 1.558
135 HB2 PHE 22 1HB PHE 22 -4.882 7.768 -0.528
136 HB3 PHE 22 2HB PHE 22 -4.698 7.961 1.212
137 HD1 PHE 22 HD2 PHE 22 -5.507 5.563 -1.467
138 HD2 PHE 22 HD1 PHE 22 -4.558 6.087 2.649
139 HE1 PHE 22 HE2 PHE 22 -5.166 3.137 -1.240
140 HE2 PHE 22 HE1 PHE 22 -4.214 3.662 2.882
141 HZ PHE 22 HZ PHE 22 -4.519 2.183 0.936
142 H THR 23 H THR 23 -6.373 9.885 2.063
143 HA THR 23 HA THR 23 -7.610 11.863 0.388
144 HB THR 23 HB THR 23 -7.804 12.106 2.788
145 HG1 THR 23 HG1 THR 23 -6.591 14.284 2.878
146 HG21 THR 23 3HG2 THR 23 -5.079 12.932 3.357
147 HG22 THR 23 1HG2 THR 23 -5.168 11.244 2.858
148 HG23 THR 23 2HG2 THR 23 -6.120 11.809 4.231
149 H GLN 24 H GLN 24 -4.374 10.738 0.983
150 HA GLN 24 HA GLN 24 -3.364 12.785 -0.880
151 HB2 GLN 24 1HB GLN 24 -1.933 11.567 1.487
152 HB3 GLN 24 2HB GLN 24 -1.188 12.635 0.306
153 HG2 GLN 24 1HG GLN 24 -3.166 14.227 1.000
154 HG3 GLN 24 2HG GLN 24 -3.127 13.251 2.468
155 HE21 GLN 24 1HE2 GLN 24 -2.579 15.408 3.364
156 HE22 GLN 24 2HE2 GLN 24 -0.913 15.860 3.410
157 H ASN 25 H ASN 25 -1.106 12.015 -1.750
158 HA ASN 25 HA ASN 25 -1.599 9.444 -3.009
159 HB2 ASN 25 1HB ASN 25 0.425 10.079 -4.384
160 HB3 ASN 25 2HB ASN 25 -0.943 11.181 -4.511
161 HD21 ASN 25 1HD2 ASN 25 2.336 10.833 -3.714
162 HD22 ASN 25 2HD2 ASN 25 2.626 12.452 -3.186
163 H SER 26 H SER 26 0.850 10.988 -0.975
164 HA SER 26 HA SER 26 2.756 8.981 -0.917
165 HB2 SER 26 1HB SER 26 3.149 9.877 1.505
166 HB3 SER 26 2HB SER 26 3.411 10.957 0.135
167 HG SER 26 HG SER 26 0.919 10.818 1.454
168 H HIS 27 H HIS 27 -0.250 9.266 0.892
169 HA HIS 27 HA HIS 27 0.218 7.090 2.648
170 HB2 HIS 27 1HB HIS 27 -2.456 8.163 1.735
171 HB3 HIS 27 2HB HIS 27 -2.127 7.251 3.205
172 HD1 HIS 27 HD1 HIS 27 -3.440 10.061 3.262
173 HD2 HIS 27 HD2 HIS 27 0.620 9.334 3.756
174 HE1 HIS 27 HE1 HIS 27 -2.551 12.045 4.527
175 H LEU 28 H LEU 28 -1.071 7.349 -0.591
176 HA LEU 28 HA LEU 28 -2.105 4.670 -0.661
177 HB2 LEU 28 1HB LEU 28 -3.197 6.156 -2.091
178 HB3 LEU 28 2HB LEU 28 -1.684 6.826 -2.697
179 HG LEU 28 HG LEU 28 -1.275 4.763 -3.951
180 HD11 LEU 28 1HD1 LEU 28 -3.981 3.714 -3.654
181 HD12 LEU 28 2HD1 LEU 28 -3.010 3.594 -2.187
182 HD13 LEU 28 3HD1 LEU 28 -2.432 2.871 -3.688
183 HD21 LEU 28 3HD2 LEU 28 -3.922 6.125 -4.398
184 HD22 LEU 28 1HD2 LEU 28 -3.209 4.989 -5.543
185 HD23 LEU 28 2HD2 LEU 28 -2.371 6.491 -5.153
186 H ALA 29 H ALA 29 0.764 6.313 -1.946
187 HA ALA 29 HA ALA 29 1.864 4.103 -3.287
188 HB1 ALA 29 3HB ALA 29 3.555 6.234 -2.032
189 HB2 ALA 29 1HB ALA 29 3.791 5.379 -3.556
190 HB3 ALA 29 2HB ALA 29 2.516 6.590 -3.412
191 H ARG 30 H ARG 30 2.146 5.209 0.049
192 HA ARG 30 HA ARG 30 4.134 3.261 0.752
193 HB2 ARG 30 1HB ARG 30 3.916 4.087 2.992
194 HB3 ARG 30 2HB ARG 30 3.867 5.466 1.902
195 HG2 ARG 30 1HG ARG 30 1.324 5.273 2.059
196 HG3 ARG 30 2HG ARG 30 1.621 4.219 3.443
197 HD2 ARG 30 1HD ARG 30 3.163 6.180 4.227
198 HD3 ARG 30 2HD ARG 30 2.179 7.134 3.118
199 HE ARG 30 HE ARG 30 0.549 7.117 4.701
200 HH11 ARG 30 1HH1 ARG 30 2.539 4.297 5.158
201 HH12 ARG 30 2HH1 ARG 30 1.679 3.757 6.561
202 HH21 ARG 30 1HH2 ARG 30 -0.592 6.416 6.547
203 HH22 ARG 30 2HH2 ARG 30 -0.102 4.962 7.350
204 H HIS 31 H HIS 31 0.634 3.541 1.042
205 HA HIS 31 HA HIS 31 0.150 1.374 2.732
206 HB2 HIS 31 1HB HIS 31 -1.738 2.656 2.397
207 HB3 HIS 31 2HB HIS 31 -1.449 2.824 0.668
208 HD1 HIS 31 HD1 HIS 31 -2.764 0.330 3.182
209 HD2 HIS 31 HD2 HIS 31 -2.768 1.013 -0.916
210 HE1 HIS 31 HE1 HIS 31 -4.374 -1.346 2.223
211 H ARG 32 H ARG 32 0.415 1.494 -0.803
212 HA ARG 32 HA ARG 32 -0.308 -0.996 -1.570
213 HB2 ARG 32 1HB ARG 32 2.078 0.616 -2.471
214 HB3 ARG 32 2HB ARG 32 1.571 -0.866 -3.270
215 HG2 ARG 32 1HG ARG 32 -0.463 0.088 -3.976
216 HG3 ARG 32 2HG ARG 32 -0.276 1.469 -2.893
217 HD2 ARG 32 1HD ARG 32 1.848 1.982 -4.236
218 HD3 ARG 32 2HD ARG 32 1.207 0.852 -5.428
219 HE ARG 32 HE ARG 32 -0.773 2.739 -4.779
220 HH11 ARG 32 1HH1 ARG 32 2.275 2.501 -6.444
221 HH12 ARG 32 2HH1 ARG 32 1.925 3.795 -7.541
222 HH21 ARG 32 1HH2 ARG 32 -1.246 4.445 -6.218
223 HH22 ARG 32 2HH2 ARG 32 -0.077 4.901 -7.411
224 H ARG 33 H ARG 33 2.613 -0.130 0.173
225 HA ARG 33 HA ARG 33 4.135 -2.406 -0.089
226 HB2 ARG 33 1HB ARG 33 3.740 -0.531 2.230
227 HB3 ARG 33 2HB ARG 33 4.851 -1.890 2.334
228 HG2 ARG 33 1HG ARG 33 5.847 -0.915 0.147
229 HG3 ARG 33 2HG ARG 33 5.017 0.562 0.642
230 HD2 ARG 33 1HD ARG 33 6.294 0.777 2.576
231 HD3 ARG 33 2HD ARG 33 6.779 -0.918 2.557
232 HE ARG 33 HE ARG 33 7.730 0.659 0.328
233 HH11 ARG 33 1HH1 ARG 33 8.375 -0.542 3.531
234 HH12 ARG 33 2HH1 ARG 33 10.094 -0.369 3.391
235 HH21 ARG 33 1HH2 ARG 33 9.991 0.892 0.131
236 HH22 ARG 33 2HH2 ARG 33 11.011 0.447 1.457
237 H VAL 34 H VAL 34 1.454 -1.830 2.160
238 HA VAL 34 HA VAL 34 1.521 -4.029 3.754
239 HB VAL 34 HB VAL 34 -0.934 -3.957 3.864
240 HG11 VAL 34 1HG1 VAL 34 0.842 -1.966 4.571
241 HG12 VAL 34 2HG1 VAL 34 -0.463 -1.092 3.765
242 HG13 VAL 34 3HG1 VAL 34 -0.817 -2.134 5.144
243 HG21 VAL 34 3HG2 VAL 34 -0.627 -2.815 1.234
244 HG22 VAL 34 1HG2 VAL 34 -2.071 -3.452 2.021
245 HG23 VAL 34 2HG2 VAL 34 -1.603 -1.770 2.266
246 H HIS 35 H HIS 35 0.861 -3.948 0.351
247 HA HIS 35 HA HIS 35 -0.197 -6.645 0.283
248 HB2 HIS 35 1HB HIS 35 0.490 -4.678 -1.906
249 HB3 HIS 35 2HB HIS 35 -0.168 -6.283 -2.204
250 HD1 HIS 35 HD1 HIS 35 -2.659 -6.666 -1.649
251 HD2 HIS 35 HD2 HIS 35 -1.336 -2.796 -0.919
252 HE1 HIS 35 HE1 HIS 35 -4.740 -5.299 -1.298
253 H THR 36 H THR 36 2.412 -5.201 -1.655
254 HA THR 36 HA THR 36 3.751 -7.453 -2.365
255 HB THR 36 HB THR 36 4.426 -5.268 -3.187
256 HG1 THR 36 HG1 THR 36 6.571 -6.516 -1.780
257 HG21 THR 36 3HG2 THR 36 4.226 -4.323 -0.718
258 HG22 THR 36 1HG2 THR 36 5.274 -3.563 -1.915
259 HG23 THR 36 2HG2 THR 36 5.958 -4.655 -0.711
260 H GLY 37 H GLY 37 4.101 -5.699 0.696
261 HA2 GLY 37 1HA GLY 37 5.473 -8.079 1.776
262 HA3 GLY 37 2HA GLY 37 6.054 -6.459 2.129
263 H GLY 38 H GLY 38 4.036 -8.966 3.130
264 HA2 GLY 38 1HA GLY 38 3.301 -7.606 5.515
265 HA3 GLY 38 2HA GLY 38 1.930 -7.702 4.418
266 H LYS 39 H LYS 39 2.352 -8.942 7.055
267 HA LYS 39 HA LYS 39 2.018 -11.756 6.246
268 HB2 LYS 39 1HB LYS 39 4.120 -11.160 7.600
269 HB3 LYS 39 2HB LYS 39 3.026 -10.905 8.953
270 HG2 LYS 39 1HG LYS 39 2.266 -13.210 8.794
271 HG3 LYS 39 2HG LYS 39 3.325 -13.473 7.406
272 HD2 LYS 39 1HD LYS 39 4.529 -12.440 9.924
273 HD3 LYS 39 2HD LYS 39 4.059 -14.140 9.858
274 HE2 LYS 39 1HE LYS 39 6.271 -14.167 9.144
275 HE3 LYS 39 2HE LYS 39 5.359 -14.189 7.636
276 HZ1 LYS 39 3HZ LYS 39 5.899 -12.011 7.176
277 HZ2 LYS 39 1HZ LYS 39 7.327 -12.569 7.894
278 HZ3 LYS 39 2HZ LYS 39 6.243 -11.627 8.788
279 HA PRO 40 HA PRO 40 -1.929 -10.325 8.156
280 HB2 PRO 40 1HB PRO 40 -3.511 -11.728 6.453
281 HB3 PRO 40 2HB PRO 40 -2.887 -10.117 6.078
282 HG2 PRO 40 1HG PRO 40 -1.873 -12.792 5.198
283 HG3 PRO 40 2HG PRO 40 -2.066 -11.303 4.254
284 HD2 PRO 40 1HD PRO 40 0.327 -12.107 5.234
285 HD3 PRO 40 2HD PRO 40 -0.104 -10.394 5.052
286 H SER 41 H SER 41 -3.870 -11.811 8.757
287 HA SER 41 HA SER 41 -3.098 -13.657 10.622
288 HB2 SER 41 1HB SER 41 -5.435 -12.641 10.158
289 HB3 SER 41 2HB SER 41 -5.668 -14.033 9.101
290 HG SER 41 HG SER 41 -5.146 -15.351 10.951
291 H GLY 42 H GLY 42 -2.821 -15.869 10.717
292 HA2 GLY 42 1HA GLY 42 -3.340 -17.671 8.619
293 HA3 GLY 42 2HA GLY 42 -1.671 -17.135 8.496
294 HA PRO 43 HA PRO 43 -1.715 -20.826 11.264
295 HB2 PRO 43 1HB PRO 43 0.533 -21.920 10.206
296 HB3 PRO 43 2HB PRO 43 -1.076 -22.184 9.524
297 HG2 PRO 43 1HG PRO 43 1.062 -20.280 8.650
298 HG3 PRO 43 2HG PRO 43 0.015 -21.317 7.663
299 HD2 PRO 43 1HD PRO 43 -0.461 -18.674 8.009
300 HD3 PRO 43 2HD PRO 43 -1.765 -19.858 7.795
301 H SER 44 H SER 44 0.165 -21.665 12.619
302 HA SER 44 HA SER 44 1.467 -19.385 13.832
303 HB2 SER 44 1HB SER 44 1.182 -22.287 14.567
304 HB3 SER 44 2HB SER 44 2.329 -21.252 15.417
305 HG SER 44 HG SER 44 -0.271 -20.302 15.097
306 H SER 45 H SER 45 3.561 -18.843 13.688
307 HA SER 45 HA SER 45 5.461 -20.753 12.539
308 HB2 SER 45 1HB SER 45 4.726 -18.074 11.411
309 HB3 SER 45 2HB SER 45 6.373 -18.674 11.221
310 HG SER 45 HG SER 45 5.013 -19.274 9.472
311 H GLY 46 H GLY 46 7.750 -19.616 12.547
312 HA2 GLY 46 1HA GLY 46 8.052 -17.971 14.961
313 HA3 GLY 46 2HA GLY 46 8.904 -19.506 14.880
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -26.801 -3.521 -0.492
2 HA2 GLY 1 1HA GLY 1 -28.232 -4.794 1.760
3 HA3 GLY 1 2HA GLY 1 -26.535 -4.341 1.838
4 H SER 2 H SER 2 -25.965 -2.161 2.058
5 HA SER 2 HA SER 2 -27.465 -0.610 3.742
6 HB2 SER 2 1HB SER 2 -25.989 1.220 3.230
7 HB3 SER 2 2HB SER 2 -25.044 -0.267 3.147
8 HG SER 2 HG SER 2 -25.550 1.556 1.211
9 H SER 3 H SER 3 -29.004 0.951 3.574
10 HA SER 3 HA SER 3 -30.662 0.935 1.262
11 HB2 SER 3 1HB SER 3 -31.955 2.689 2.485
12 HB3 SER 3 2HB SER 3 -31.657 1.243 3.450
13 HG SER 3 HG SER 3 -30.094 2.326 4.580
14 H GLY 4 H GLY 4 -29.113 1.602 -0.359
15 HA2 GLY 4 1HA GLY 4 -28.906 3.415 -1.904
16 HA3 GLY 4 2HA GLY 4 -28.988 4.533 -0.550
17 H SER 5 H SER 5 -27.022 4.437 -2.678
18 HA SER 5 HA SER 5 -24.622 4.071 -1.017
19 HB2 SER 5 1HB SER 5 -24.868 2.222 -2.698
20 HB3 SER 5 2HB SER 5 -24.761 3.436 -3.973
21 HG SER 5 HG SER 5 -22.786 2.328 -2.451
22 H SER 6 H SER 6 -24.556 6.282 -0.574
23 HA SER 6 HA SER 6 -24.427 8.162 -2.788
24 HB2 SER 6 1HB SER 6 -25.626 8.620 -0.579
25 HB3 SER 6 2HB SER 6 -24.024 8.797 0.136
26 HG SER 6 HG SER 6 -23.692 10.373 -1.658
27 H GLY 7 H GLY 7 -22.337 7.067 -0.124
28 HA2 GLY 7 1HA GLY 7 -20.079 8.586 -0.993
29 HA3 GLY 7 2HA GLY 7 -20.068 7.298 0.204
30 H THR 8 H THR 8 -19.369 8.177 -3.024
31 HA THR 8 HA THR 8 -18.434 5.435 -3.551
32 HB THR 8 HB THR 8 -19.590 7.267 -5.658
33 HG1 THR 8 HG1 THR 8 -21.396 6.601 -4.715
34 HG21 THR 8 3HG2 THR 8 -19.663 4.989 -6.877
35 HG22 THR 8 1HG2 THR 8 -18.486 4.477 -5.668
36 HG23 THR 8 2HG2 THR 8 -18.115 5.823 -6.745
37 H GLY 9 H GLY 9 -16.312 5.921 -3.007
38 HA2 GLY 9 1HA GLY 9 -14.193 6.780 -3.261
39 HA3 GLY 9 2HA GLY 9 -14.586 6.766 -4.974
40 H GLU 10 H GLU 10 -14.914 8.713 -2.027
41 HA GLU 10 HA GLU 10 -15.471 11.113 -3.524
42 HB2 GLU 10 1HB GLU 10 -15.391 12.225 -1.319
43 HB3 GLU 10 2HB GLU 10 -16.474 10.841 -1.335
44 HG2 GLU 10 1HG GLU 10 -14.299 9.604 -0.466
45 HG3 GLU 10 2HG GLU 10 -13.908 11.229 0.091
46 H LYS 11 H LYS 11 -12.810 9.467 -3.548
47 HA LYS 11 HA LYS 11 -11.105 11.841 -3.644
48 HB2 LYS 11 1HB LYS 11 -10.740 9.486 -1.865
49 HB3 LYS 11 2HB LYS 11 -9.302 10.144 -2.634
50 HG2 LYS 11 1HG LYS 11 -9.316 11.331 -0.686
51 HG3 LYS 11 2HG LYS 11 -10.239 12.419 -1.726
52 HD2 LYS 11 1HD LYS 11 -12.215 11.978 -0.664
53 HD3 LYS 11 2HD LYS 11 -11.732 10.341 -0.213
54 HE2 LYS 11 1HE LYS 11 -10.373 11.144 1.563
55 HE3 LYS 11 2HE LYS 11 -10.512 12.810 1.004
56 HZ1 LYS 11 3HZ LYS 11 -12.850 12.780 1.561
57 HZ2 LYS 11 1HZ LYS 11 -11.932 12.362 2.920
58 HZ3 LYS 11 2HZ LYS 11 -12.752 11.164 2.052
59 HA PRO 12 HA PRO 12 -9.785 10.029 -7.432
60 HB2 PRO 12 1HB PRO 12 -7.421 11.329 -7.734
61 HB3 PRO 12 2HB PRO 12 -8.987 12.113 -7.978
62 HG2 PRO 12 1HG PRO 12 -7.181 12.190 -5.591
63 HG3 PRO 12 2HG PRO 12 -8.081 13.513 -6.357
64 HD2 PRO 12 1HD PRO 12 -8.943 12.274 -4.108
65 HD3 PRO 12 2HD PRO 12 -10.057 12.935 -5.322
66 H TYR 13 H TYR 13 -7.768 9.931 -4.579
67 HA TYR 13 HA TYR 13 -5.953 7.979 -5.724
68 HB2 TYR 13 1HB TYR 13 -6.081 8.821 -2.832
69 HB3 TYR 13 2HB TYR 13 -4.708 8.159 -3.712
70 HD1 TYR 13 HD2 TYR 13 -6.792 11.159 -3.220
71 HD2 TYR 13 HD1 TYR 13 -3.279 9.566 -5.015
72 HE1 TYR 13 HE2 TYR 13 -6.012 13.441 -3.706
73 HE2 TYR 13 HE1 TYR 13 -2.489 11.843 -5.505
74 HH TYR 13 HH TYR 13 -3.312 14.408 -4.137
75 H LYS 14 H LYS 14 -6.711 5.980 -5.969
76 HA LYS 14 HA LYS 14 -7.962 4.683 -3.653
77 HB2 LYS 14 1HB LYS 14 -9.881 5.039 -4.915
78 HB3 LYS 14 2HB LYS 14 -9.032 4.858 -6.444
79 HG2 LYS 14 1HG LYS 14 -8.845 2.458 -6.070
80 HG3 LYS 14 2HG LYS 14 -9.672 2.630 -4.520
81 HD2 LYS 14 1HD LYS 14 -11.675 3.404 -5.635
82 HD3 LYS 14 2HD LYS 14 -10.852 3.375 -7.197
83 HE2 LYS 14 1HE LYS 14 -10.484 0.904 -6.808
84 HE3 LYS 14 2HE LYS 14 -11.592 1.041 -5.445
85 HZ1 LYS 14 3HZ LYS 14 -12.381 1.962 -8.135
86 HZ2 LYS 14 1HZ LYS 14 -13.368 1.520 -6.834
87 HZ3 LYS 14 2HZ LYS 14 -12.529 0.334 -7.699
88 H CYS 15 H CYS 15 -7.057 2.789 -3.165
89 HA CYS 15 HA CYS 15 -4.845 1.801 -4.640
90 HB2 CYS 15 1HB CYS 15 -5.151 1.576 -2.161
91 HB3 CYS 15 2HB CYS 15 -6.395 0.370 -2.474
92 H ASN 16 H ASN 16 -4.800 0.473 -6.324
93 HA ASN 16 HA ASN 16 -7.265 -0.819 -7.180
94 HB2 ASN 16 1HB ASN 16 -5.534 0.522 -8.652
95 HB3 ASN 16 2HB ASN 16 -4.703 -1.030 -8.709
96 HD21 ASN 16 1HD2 ASN 16 -7.645 0.674 -9.511
97 HD22 ASN 16 2HD2 ASN 16 -8.201 -0.451 -10.699
98 H GLU 17 H GLU 17 -5.315 -1.698 -4.938
99 HA GLU 17 HA GLU 17 -4.757 -4.413 -5.903
100 HB2 GLU 17 1HB GLU 17 -3.864 -3.251 -3.272
101 HB3 GLU 17 2HB GLU 17 -3.205 -4.638 -4.128
102 HG2 GLU 17 1HG GLU 17 -3.000 -1.758 -4.977
103 HG3 GLU 17 2HG GLU 17 -1.712 -2.742 -4.286
104 H CYS 18 H CYS 18 -6.194 -2.718 -3.125
105 HA CYS 18 HA CYS 18 -7.724 -5.164 -2.529
106 HB2 CYS 18 1HB CYS 18 -7.950 -4.249 -0.227
107 HB3 CYS 18 2HB CYS 18 -6.279 -4.560 -0.684
108 H GLY 19 H GLY 19 -7.909 -1.632 -2.733
109 HA2 GLY 19 1HA GLY 19 -9.894 -0.800 -3.978
110 HA3 GLY 19 2HA GLY 19 -10.841 -1.904 -2.992
111 H LYS 20 H LYS 20 -8.184 0.046 -1.783
112 HA LYS 20 HA LYS 20 -10.060 1.367 0.033
113 HB2 LYS 20 1HB LYS 20 -7.084 0.940 0.069
114 HB3 LYS 20 2HB LYS 20 -7.840 2.134 1.115
115 HG2 LYS 20 1HG LYS 20 -9.077 0.479 2.266
116 HG3 LYS 20 2HG LYS 20 -8.674 -0.753 1.068
117 HD2 LYS 20 1HD LYS 20 -6.399 -0.800 1.766
118 HD3 LYS 20 2HD LYS 20 -6.611 0.637 2.768
119 HE2 LYS 20 1HE LYS 20 -8.283 -1.773 3.306
120 HE3 LYS 20 2HE LYS 20 -6.601 -1.762 3.835
121 HZ1 LYS 20 3HZ LYS 20 -8.693 0.209 4.581
122 HZ2 LYS 20 1HZ LYS 20 -7.064 0.316 5.028
123 HZ3 LYS 20 2HZ LYS 20 -8.013 -0.966 5.590
124 H VAL 21 H VAL 21 -9.316 3.687 0.649
125 HA VAL 21 HA VAL 21 -8.471 5.178 -1.733
126 HB VAL 21 HB VAL 21 -10.755 6.190 -0.070
127 HG11 VAL 21 1HG1 VAL 21 -9.540 7.734 -1.562
128 HG12 VAL 21 2HG1 VAL 21 -9.954 6.702 -2.933
129 HG13 VAL 21 3HG1 VAL 21 -11.227 7.526 -2.030
130 HG21 VAL 21 3HG2 VAL 21 -10.812 4.093 -2.172
131 HG22 VAL 21 1HG2 VAL 21 -11.840 4.305 -0.755
132 HG23 VAL 21 2HG2 VAL 21 -12.091 5.307 -2.184
133 H PHE 22 H PHE 22 -7.656 7.295 -1.298
134 HA PHE 22 HA PHE 22 -7.175 7.979 1.499
135 HB2 PHE 22 1HB PHE 22 -4.910 7.786 -0.495
136 HB3 PHE 22 2HB PHE 22 -4.786 8.210 1.209
137 HD1 PHE 22 HD2 PHE 22 -5.449 5.475 -1.161
138 HD2 PHE 22 HD1 PHE 22 -4.731 6.541 2.896
139 HE1 PHE 22 HE2 PHE 22 -5.105 3.104 -0.603
140 HE2 PHE 22 HE1 PHE 22 -4.384 4.171 3.461
141 HZ PHE 22 HZ PHE 22 -4.572 2.449 1.711
142 H THR 23 H THR 23 -6.097 10.159 1.677
143 HA THR 23 HA THR 23 -7.431 11.981 -0.145
144 HB THR 23 HB THR 23 -7.505 12.375 2.303
145 HG1 THR 23 HG1 THR 23 -6.048 14.518 1.196
146 HG21 THR 23 3HG2 THR 23 -4.617 13.195 2.095
147 HG22 THR 23 1HG2 THR 23 -5.104 11.593 2.646
148 HG23 THR 23 2HG2 THR 23 -5.605 13.025 3.545
149 H GLN 24 H GLN 24 -4.135 11.169 0.844
150 HA GLN 24 HA GLN 24 -3.127 12.851 -1.352
151 HB2 GLN 24 1HB GLN 24 -1.976 12.113 1.314
152 HB3 GLN 24 2HB GLN 24 -0.902 12.532 -0.014
153 HG2 GLN 24 1HG GLN 24 -3.096 14.282 1.073
154 HG3 GLN 24 2HG GLN 24 -1.379 14.440 1.439
155 HE21 GLN 24 1HE2 GLN 24 -2.811 16.532 0.390
156 HE22 GLN 24 2HE2 GLN 24 -2.282 16.843 -1.224
157 H ASN 25 H ASN 25 -1.060 12.027 -2.339
158 HA ASN 25 HA ASN 25 -1.490 9.361 -3.277
159 HB2 ASN 25 1HB ASN 25 -0.624 10.746 -4.932
160 HB3 ASN 25 2HB ASN 25 0.523 11.510 -3.835
161 HD21 ASN 25 1HD2 ASN 25 -0.215 8.468 -5.461
162 HD22 ASN 25 2HD2 ASN 25 1.424 7.945 -5.611
163 H SER 26 H SER 26 1.157 10.910 -1.462
164 HA SER 26 HA SER 26 2.854 8.839 -1.055
165 HB2 SER 26 1HB SER 26 1.992 11.062 0.770
166 HB3 SER 26 2HB SER 26 3.146 9.853 1.334
167 HG SER 26 HG SER 26 4.139 10.468 -0.901
168 H HIS 27 H HIS 27 0.047 9.538 1.029
169 HA HIS 27 HA HIS 27 0.252 7.384 2.747
170 HB2 HIS 27 1HB HIS 27 -2.324 8.567 1.692
171 HB3 HIS 27 2HB HIS 27 -2.121 7.674 3.196
172 HD1 HIS 27 HD1 HIS 27 -3.173 9.924 4.246
173 HD2 HIS 27 HD2 HIS 27 0.669 10.229 2.695
174 HE1 HIS 27 HE1 HIS 27 -2.223 12.040 5.217
175 H LEU 28 H LEU 28 -0.953 7.495 -0.533
176 HA LEU 28 HA LEU 28 -2.078 4.844 -0.443
177 HB2 LEU 28 1HB LEU 28 -3.141 6.324 -1.926
178 HB3 LEU 28 2HB LEU 28 -1.611 6.851 -2.624
179 HG LEU 28 HG LEU 28 -1.374 4.595 -3.652
180 HD11 LEU 28 1HD1 LEU 28 -2.844 3.418 -2.041
181 HD12 LEU 28 2HD1 LEU 28 -3.252 3.100 -3.727
182 HD13 LEU 28 3HD1 LEU 28 -4.233 4.216 -2.778
183 HD21 LEU 28 3HD2 LEU 28 -3.294 6.666 -4.332
184 HD22 LEU 28 1HD2 LEU 28 -3.719 5.097 -5.016
185 HD23 LEU 28 2HD2 LEU 28 -2.142 5.809 -5.357
186 H ALA 29 H ALA 29 0.907 6.344 -1.529
187 HA ALA 29 HA ALA 29 1.934 4.082 -2.903
188 HB1 ALA 29 3HB ALA 29 3.641 6.201 -1.639
189 HB2 ALA 29 1HB ALA 29 3.930 5.280 -3.115
190 HB3 ALA 29 2HB ALA 29 2.680 6.525 -3.081
191 H ARG 30 H ARG 30 2.157 5.223 0.424
192 HA ARG 30 HA ARG 30 4.081 3.254 1.216
193 HB2 ARG 30 1HB ARG 30 3.855 4.125 3.406
194 HB3 ARG 30 2HB ARG 30 3.698 5.504 2.326
195 HG2 ARG 30 1HG ARG 30 1.187 5.180 2.523
196 HG3 ARG 30 2HG ARG 30 1.546 4.089 3.862
197 HD2 ARG 30 1HD ARG 30 2.461 6.956 3.686
198 HD3 ARG 30 2HD ARG 30 1.043 6.410 4.579
199 HE ARG 30 HE ARG 30 3.465 5.059 5.328
200 HH11 ARG 30 1HH1 ARG 30 1.475 7.866 5.856
201 HH12 ARG 30 2HH1 ARG 30 2.077 8.153 7.455
202 HH21 ARG 30 1HH2 ARG 30 4.265 5.427 7.432
203 HH22 ARG 30 2HH2 ARG 30 3.665 6.766 8.350
204 H HIS 31 H HIS 31 0.619 3.421 1.024
205 HA HIS 31 HA HIS 31 0.069 1.250 2.789
206 HB2 HIS 31 1HB HIS 31 -1.735 2.720 2.441
207 HB3 HIS 31 2HB HIS 31 -1.531 2.697 0.692
208 HD1 HIS 31 HD1 HIS 31 -2.718 0.457 3.505
209 HD2 HIS 31 HD2 HIS 31 -3.064 0.852 -0.616
210 HE1 HIS 31 HE1 HIS 31 -4.449 -1.230 2.811
211 H ARG 32 H ARG 32 0.198 1.538 -0.755
212 HA ARG 32 HA ARG 32 -0.480 -0.973 -1.545
213 HB2 ARG 32 1HB ARG 32 1.659 0.866 -2.597
214 HB3 ARG 32 2HB ARG 32 1.282 -0.661 -3.381
215 HG2 ARG 32 1HG ARG 32 -1.043 0.087 -3.674
216 HG3 ARG 32 2HG ARG 32 -0.614 1.636 -2.944
217 HD2 ARG 32 1HD ARG 32 0.416 0.463 -5.519
218 HD3 ARG 32 2HD ARG 32 -0.574 1.908 -5.315
219 HE ARG 32 HE ARG 32 1.730 2.370 -3.881
220 HH11 ARG 32 1HH1 ARG 32 0.908 1.671 -7.191
221 HH12 ARG 32 2HH1 ARG 32 2.255 2.542 -7.846
222 HH21 ARG 32 1HH2 ARG 32 3.507 3.520 -4.732
223 HH22 ARG 32 2HH2 ARG 32 3.733 3.592 -6.446
224 H ARG 33 H ARG 33 2.286 -0.069 0.292
225 HA ARG 33 HA ARG 33 4.067 -2.129 -0.281
226 HB2 ARG 33 1HB ARG 33 3.553 -0.691 2.326
227 HB3 ARG 33 2HB ARG 33 4.925 -1.753 2.040
228 HG2 ARG 33 1HG ARG 33 5.641 -0.268 0.198
229 HG3 ARG 33 2HG ARG 33 4.317 0.824 0.610
230 HD2 ARG 33 1HD ARG 33 5.990 1.800 1.811
231 HD3 ARG 33 2HD ARG 33 5.404 0.651 3.014
232 HE ARG 33 HE ARG 33 7.449 -0.341 2.936
233 HH11 ARG 33 1HH1 ARG 33 6.921 1.312 -0.083
234 HH12 ARG 33 2HH1 ARG 33 8.489 0.931 -0.715
235 HH21 ARG 33 1HH2 ARG 33 9.515 -0.848 2.115
236 HH22 ARG 33 2HH2 ARG 33 9.963 -0.298 0.536
237 H VAL 34 H VAL 34 1.390 -2.031 2.040
238 HA VAL 34 HA VAL 34 1.698 -4.357 3.413
239 HB VAL 34 HB VAL 34 -0.733 -4.519 3.595
240 HG11 VAL 34 1HG1 VAL 34 -1.175 -2.145 4.326
241 HG12 VAL 34 2HG1 VAL 34 0.261 -2.903 5.017
242 HG13 VAL 34 3HG1 VAL 34 0.423 -1.742 3.699
243 HG21 VAL 34 3HG2 VAL 34 -1.952 -4.044 1.790
244 HG22 VAL 34 1HG2 VAL 34 -1.711 -2.341 2.181
245 HG23 VAL 34 2HG2 VAL 34 -0.628 -3.147 1.046
246 H HIS 35 H HIS 35 0.985 -4.013 0.042
247 HA HIS 35 HA HIS 35 0.184 -6.785 -0.272
248 HB2 HIS 35 1HB HIS 35 0.672 -4.636 -2.346
249 HB3 HIS 35 2HB HIS 35 -0.022 -6.224 -2.661
250 HD1 HIS 35 HD1 HIS 35 -2.484 -6.571 -2.092
251 HD2 HIS 35 HD2 HIS 35 -1.047 -2.828 -1.005
252 HE1 HIS 35 HE1 HIS 35 -4.518 -5.217 -1.498
253 H THR 36 H THR 36 2.859 -4.705 -1.362
254 HA THR 36 HA THR 36 4.371 -7.070 -2.171
255 HB THR 36 HB THR 36 4.326 -5.165 -3.722
256 HG1 THR 36 HG1 THR 36 6.881 -5.618 -2.536
257 HG21 THR 36 3HG2 THR 36 5.683 -3.698 -1.460
258 HG22 THR 36 1HG2 THR 36 4.124 -3.318 -2.191
259 HG23 THR 36 2HG2 THR 36 5.608 -3.112 -3.122
260 H GLY 37 H GLY 37 3.945 -6.829 0.593
261 HA2 GLY 37 1HA GLY 37 6.646 -6.105 1.550
262 HA3 GLY 37 2HA GLY 37 5.197 -5.966 2.534
263 H GLY 38 H GLY 38 6.591 -8.546 0.497
264 HA2 GLY 38 1HA GLY 38 7.021 -10.753 0.955
265 HA3 GLY 38 2HA GLY 38 7.364 -10.226 2.596
266 H LYS 39 H LYS 39 6.385 -12.597 2.609
267 HA LYS 39 HA LYS 39 3.576 -12.258 3.395
268 HB2 LYS 39 1HB LYS 39 4.709 -14.499 1.716
269 HB3 LYS 39 2HB LYS 39 3.129 -14.562 2.487
270 HG2 LYS 39 1HG LYS 39 2.450 -12.576 1.201
271 HG3 LYS 39 2HG LYS 39 4.018 -12.590 0.391
272 HD2 LYS 39 1HD LYS 39 3.469 -14.961 -0.322
273 HD3 LYS 39 2HD LYS 39 1.825 -14.646 0.237
274 HE2 LYS 39 1HE LYS 39 1.956 -12.561 -1.280
275 HE3 LYS 39 2HE LYS 39 3.328 -13.378 -2.026
276 HZ1 LYS 39 3HZ LYS 39 2.005 -14.880 -3.013
277 HZ2 LYS 39 1HZ LYS 39 0.800 -13.713 -2.798
278 HZ3 LYS 39 2HZ LYS 39 0.943 -14.993 -1.701
279 HA PRO 40 HA PRO 40 4.861 -14.228 7.115
280 HB2 PRO 40 1HB PRO 40 2.452 -15.126 7.988
281 HB3 PRO 40 2HB PRO 40 2.918 -13.421 8.038
282 HG2 PRO 40 1HG PRO 40 1.217 -14.862 6.040
283 HG3 PRO 40 2HG PRO 40 0.966 -13.272 6.783
284 HD2 PRO 40 1HD PRO 40 1.970 -13.571 4.286
285 HD3 PRO 40 2HD PRO 40 2.440 -12.230 5.350
286 H SER 41 H SER 41 5.685 -16.170 7.608
287 HA SER 41 HA SER 41 4.377 -18.606 6.704
288 HB2 SER 41 1HB SER 41 7.179 -17.834 5.866
289 HB3 SER 41 2HB SER 41 6.539 -19.473 5.747
290 HG SER 41 HG SER 41 4.878 -18.606 4.392
291 H GLY 42 H GLY 42 4.777 -20.356 7.999
292 HA2 GLY 42 1HA GLY 42 6.984 -20.654 9.719
293 HA3 GLY 42 2HA GLY 42 5.672 -19.908 10.619
294 HA PRO 43 HA PRO 43 5.137 -24.463 11.025
295 HB2 PRO 43 1HB PRO 43 4.389 -24.360 13.633
296 HB3 PRO 43 2HB PRO 43 6.080 -24.411 13.119
297 HG2 PRO 43 1HG PRO 43 4.423 -22.061 13.951
298 HG3 PRO 43 2HG PRO 43 6.097 -22.457 14.379
299 HD2 PRO 43 1HD PRO 43 5.472 -20.642 12.469
300 HD3 PRO 43 2HD PRO 43 6.930 -21.652 12.386
301 H SER 44 H SER 44 3.135 -25.472 12.419
302 HA SER 44 HA SER 44 0.829 -24.786 10.950
303 HB2 SER 44 1HB SER 44 0.993 -26.392 13.512
304 HB3 SER 44 2HB SER 44 -0.333 -26.411 12.350
305 HG SER 44 HG SER 44 2.237 -26.979 11.417
306 H SER 45 H SER 45 1.497 -24.414 14.435
307 HA SER 45 HA SER 45 0.255 -21.842 14.525
308 HB2 SER 45 1HB SER 45 -1.690 -23.522 14.478
309 HB3 SER 45 2HB SER 45 -1.175 -23.977 16.102
310 HG SER 45 HG SER 45 -2.033 -22.210 16.842
311 H GLY 46 H GLY 46 0.224 -20.953 16.756
312 HA2 GLY 46 1HA GLY 46 2.404 -22.162 18.338
313 HA3 GLY 46 2HA GLY 46 2.074 -20.438 18.256
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -14.713 -6.626 16.057
2 HA2 GLY 1 1HA GLY 1 -13.493 -6.958 13.911
3 HA3 GLY 1 2HA GLY 1 -15.045 -6.728 13.121
4 H SER 2 H SER 2 -14.706 -4.912 11.966
5 HA SER 2 HA SER 2 -14.076 -2.480 13.494
6 HB2 SER 2 1HB SER 2 -12.179 -3.459 11.963
7 HB3 SER 2 2HB SER 2 -13.131 -2.747 10.661
8 HG SER 2 HG SER 2 -13.041 -0.836 12.308
9 H SER 3 H SER 3 -15.019 -0.555 12.713
10 HA SER 3 HA SER 3 -17.480 -1.017 11.219
11 HB2 SER 3 1HB SER 3 -16.492 1.356 12.815
12 HB3 SER 3 2HB SER 3 -18.026 1.329 11.945
13 HG SER 3 HG SER 3 -18.806 -0.148 13.330
14 H GLY 4 H GLY 4 -18.160 0.566 9.575
15 HA2 GLY 4 1HA GLY 4 -15.996 1.024 7.705
16 HA3 GLY 4 2HA GLY 4 -17.710 1.258 7.398
17 H SER 5 H SER 5 -15.444 3.000 6.760
18 HA SER 5 HA SER 5 -15.790 5.279 8.539
19 HB2 SER 5 1HB SER 5 -13.528 4.831 7.805
20 HB3 SER 5 2HB SER 5 -14.027 4.858 6.114
21 HG SER 5 HG SER 5 -14.587 7.117 7.642
22 H SER 6 H SER 6 -16.724 7.214 7.973
23 HA SER 6 HA SER 6 -18.275 7.195 5.468
24 HB2 SER 6 1HB SER 6 -19.680 7.091 7.494
25 HB3 SER 6 2HB SER 6 -18.943 8.583 8.076
26 HG SER 6 HG SER 6 -19.728 9.282 5.781
27 H GLY 7 H GLY 7 -16.789 8.254 4.178
28 HA2 GLY 7 1HA GLY 7 -16.185 11.036 4.976
29 HA3 GLY 7 2HA GLY 7 -15.066 10.040 4.057
30 H THR 8 H THR 8 -17.193 12.503 3.792
31 HA THR 8 HA THR 8 -18.515 11.839 1.347
32 HB THR 8 HB THR 8 -19.070 14.263 1.245
33 HG1 THR 8 HG1 THR 8 -17.370 15.271 2.213
34 HG21 THR 8 3HG2 THR 8 -20.471 14.300 3.247
35 HG22 THR 8 1HG2 THR 8 -19.527 12.984 3.944
36 HG23 THR 8 2HG2 THR 8 -20.495 12.704 2.497
37 H GLY 9 H GLY 9 -18.215 13.123 -0.667
38 HA2 GLY 9 1HA GLY 9 -16.919 13.863 -2.414
39 HA3 GLY 9 2HA GLY 9 -15.788 14.472 -1.215
40 H GLU 10 H GLU 10 -16.551 11.893 -3.390
41 HA GLU 10 HA GLU 10 -14.767 9.926 -2.546
42 HB2 GLU 10 1HB GLU 10 -16.548 9.887 -4.434
43 HB3 GLU 10 2HB GLU 10 -15.249 10.483 -5.457
44 HG2 GLU 10 1HG GLU 10 -14.077 8.524 -5.358
45 HG3 GLU 10 2HG GLU 10 -14.750 8.073 -3.792
46 H LYS 11 H LYS 11 -12.619 9.667 -2.657
47 HA LYS 11 HA LYS 11 -11.026 11.896 -3.633
48 HB2 LYS 11 1HB LYS 11 -10.400 9.453 -1.986
49 HB3 LYS 11 2HB LYS 11 -9.132 10.498 -2.613
50 HG2 LYS 11 1HG LYS 11 -9.494 11.254 -0.440
51 HG3 LYS 11 2HG LYS 11 -10.367 12.405 -1.454
52 HD2 LYS 11 1HD LYS 11 -11.750 11.826 0.426
53 HD3 LYS 11 2HD LYS 11 -12.448 11.114 -1.030
54 HE2 LYS 11 1HE LYS 11 -11.751 8.958 -0.447
55 HE3 LYS 11 2HE LYS 11 -10.579 9.557 0.726
56 HZ1 LYS 11 3HZ LYS 11 -12.115 9.614 2.320
57 HZ2 LYS 11 1HZ LYS 11 -13.069 8.655 1.304
58 HZ3 LYS 11 2HZ LYS 11 -13.278 10.334 1.324
59 HA PRO 12 HA PRO 12 -9.886 9.984 -7.430
60 HB2 PRO 12 1HB PRO 12 -7.540 11.275 -7.878
61 HB3 PRO 12 2HB PRO 12 -9.116 12.053 -8.068
62 HG2 PRO 12 1HG PRO 12 -7.199 12.192 -5.772
63 HG3 PRO 12 2HG PRO 12 -8.135 13.494 -6.529
64 HD2 PRO 12 1HD PRO 12 -8.889 12.316 -4.210
65 HD3 PRO 12 2HD PRO 12 -10.060 12.945 -5.387
66 H TYR 13 H TYR 13 -7.853 9.864 -4.620
67 HA TYR 13 HA TYR 13 -6.034 7.930 -5.810
68 HB2 TYR 13 1HB TYR 13 -6.109 8.862 -2.939
69 HB3 TYR 13 2HB TYR 13 -4.770 8.092 -3.782
70 HD1 TYR 13 HD1 TYR 13 -3.384 9.354 -5.334
71 HD2 TYR 13 HD2 TYR 13 -6.606 11.214 -3.270
72 HE1 TYR 13 HE1 TYR 13 -2.489 11.563 -5.941
73 HE2 TYR 13 HE2 TYR 13 -5.721 13.428 -3.873
74 HH TYR 13 HH TYR 13 -2.690 13.984 -4.879
75 H LYS 14 H LYS 14 -6.930 5.974 -6.075
76 HA LYS 14 HA LYS 14 -8.022 4.656 -3.690
77 HB2 LYS 14 1HB LYS 14 -10.007 5.140 -4.841
78 HB3 LYS 14 2HB LYS 14 -9.278 4.839 -6.413
79 HG2 LYS 14 1HG LYS 14 -9.510 2.566 -6.241
80 HG3 LYS 14 2HG LYS 14 -9.497 2.589 -4.476
81 HD2 LYS 14 1HD LYS 14 -11.732 3.626 -4.497
82 HD3 LYS 14 2HD LYS 14 -11.743 3.532 -6.260
83 HE2 LYS 14 1HE LYS 14 -11.320 1.091 -4.569
84 HE3 LYS 14 2HE LYS 14 -12.941 1.686 -4.925
85 HZ1 LYS 14 3HZ LYS 14 -12.733 1.196 -7.141
86 HZ2 LYS 14 1HZ LYS 14 -11.835 -0.066 -6.461
87 HZ3 LYS 14 2HZ LYS 14 -11.043 1.270 -7.130
88 H CYS 15 H CYS 15 -7.085 2.760 -3.296
89 HA CYS 15 HA CYS 15 -5.083 1.729 -5.051
90 HB2 CYS 15 1HB CYS 15 -4.903 1.588 -2.590
91 HB3 CYS 15 2HB CYS 15 -6.280 0.490 -2.563
92 H ASN 16 H ASN 16 -5.295 0.307 -6.645
93 HA ASN 16 HA ASN 16 -7.876 -0.924 -7.124
94 HB2 ASN 16 1HB ASN 16 -6.453 -1.832 -9.175
95 HB3 ASN 16 2HB ASN 16 -7.068 -0.182 -9.143
96 HD21 ASN 16 1HD2 ASN 16 -4.269 -1.926 -7.824
97 HD22 ASN 16 2HD2 ASN 16 -3.093 -0.773 -8.346
98 H GLU 17 H GLU 17 -4.971 -1.757 -5.606
99 HA GLU 17 HA GLU 17 -4.822 -4.513 -6.208
100 HB2 GLU 17 1HB GLU 17 -3.940 -3.285 -3.604
101 HB3 GLU 17 2HB GLU 17 -3.260 -4.676 -4.437
102 HG2 GLU 17 1HG GLU 17 -3.087 -1.800 -5.302
103 HG3 GLU 17 2HG GLU 17 -1.783 -2.792 -4.652
104 H CYS 18 H CYS 18 -6.259 -2.780 -3.452
105 HA CYS 18 HA CYS 18 -7.824 -5.207 -2.861
106 HB2 CYS 18 1HB CYS 18 -7.933 -4.401 -0.522
107 HB3 CYS 18 2HB CYS 18 -6.282 -4.711 -1.049
108 H GLY 19 H GLY 19 -7.869 -1.667 -2.941
109 HA2 GLY 19 1HA GLY 19 -9.863 -0.721 -4.092
110 HA3 GLY 19 2HA GLY 19 -10.818 -1.810 -3.097
111 H LYS 20 H LYS 20 -8.036 0.036 -1.988
112 HA LYS 20 HA LYS 20 -9.738 1.309 0.011
113 HB2 LYS 20 1HB LYS 20 -6.809 0.806 -0.266
114 HB3 LYS 20 2HB LYS 20 -7.333 2.152 0.737
115 HG2 LYS 20 1HG LYS 20 -8.901 0.346 1.805
116 HG3 LYS 20 2HG LYS 20 -7.709 -0.773 1.137
117 HD2 LYS 20 1HD LYS 20 -5.967 0.154 2.420
118 HD3 LYS 20 2HD LYS 20 -6.913 1.591 2.815
119 HE2 LYS 20 1HE LYS 20 -6.970 0.316 4.771
120 HE3 LYS 20 2HE LYS 20 -8.515 -0.023 3.993
121 HZ1 LYS 20 3HZ LYS 20 -7.986 -2.160 3.722
122 HZ2 LYS 20 1HZ LYS 20 -6.773 -1.888 4.870
123 HZ3 LYS 20 2HZ LYS 20 -6.406 -1.822 3.220
124 H VAL 21 H VAL 21 -8.932 3.636 0.602
125 HA VAL 21 HA VAL 21 -8.310 5.212 -1.777
126 HB VAL 21 HB VAL 21 -10.674 5.966 -0.071
127 HG11 VAL 21 1HG1 VAL 21 -11.179 7.500 -1.840
128 HG12 VAL 21 2HG1 VAL 21 -9.488 7.720 -1.387
129 HG13 VAL 21 3HG1 VAL 21 -9.901 6.830 -2.853
130 HG21 VAL 21 3HG2 VAL 21 -10.970 3.751 -1.277
131 HG22 VAL 21 1HG2 VAL 21 -12.162 5.003 -1.628
132 HG23 VAL 21 2HG2 VAL 21 -10.867 4.670 -2.779
133 H PHE 22 H PHE 22 -7.530 7.311 -1.327
134 HA PHE 22 HA PHE 22 -7.111 8.011 1.478
135 HB2 PHE 22 1HB PHE 22 -4.820 7.971 -0.490
136 HB3 PHE 22 2HB PHE 22 -4.742 8.306 1.237
137 HD1 PHE 22 HD2 PHE 22 -5.426 5.654 -1.250
138 HD2 PHE 22 HD1 PHE 22 -4.469 6.576 2.794
139 HE1 PHE 22 HE2 PHE 22 -4.992 3.272 -0.813
140 HE2 PHE 22 HE1 PHE 22 -4.033 4.195 3.237
141 HZ PHE 22 HZ PHE 22 -4.296 2.540 1.433
142 H THR 23 H THR 23 -6.215 10.234 1.713
143 HA THR 23 HA THR 23 -7.547 11.996 -0.173
144 HB THR 23 HB THR 23 -7.898 12.456 2.178
145 HG1 THR 23 HG1 THR 23 -6.280 14.358 0.814
146 HG21 THR 23 3HG2 THR 23 -5.674 13.478 3.292
147 HG22 THR 23 1HG2 THR 23 -4.950 12.234 2.275
148 HG23 THR 23 2HG2 THR 23 -6.161 11.794 3.479
149 H GLN 24 H GLN 24 -4.369 10.901 0.534
150 HA GLN 24 HA GLN 24 -3.289 12.859 -1.378
151 HB2 GLN 24 1HB GLN 24 -1.917 11.853 1.121
152 HB3 GLN 24 2HB GLN 24 -1.184 12.894 -0.092
153 HG2 GLN 24 1HG GLN 24 -3.673 13.687 1.379
154 HG3 GLN 24 2HG GLN 24 -2.063 13.983 2.033
155 HE21 GLN 24 1HE2 GLN 24 -3.700 16.083 1.585
156 HE22 GLN 24 2HE2 GLN 24 -3.143 17.006 0.236
157 H ASN 25 H ASN 25 -1.214 12.123 -2.372
158 HA ASN 25 HA ASN 25 -1.535 9.438 -3.337
159 HB2 ASN 25 1HB ASN 25 0.364 9.959 -4.796
160 HB3 ASN 25 2HB ASN 25 -0.828 11.255 -4.836
161 HD21 ASN 25 1HD2 ASN 25 -0.388 13.177 -3.624
162 HD22 ASN 25 2HD2 ASN 25 1.246 13.648 -3.315
163 H SER 26 H SER 26 0.951 11.162 -1.471
164 HA SER 26 HA SER 26 2.855 9.240 -1.164
165 HB2 SER 26 1HB SER 26 2.588 11.648 -0.103
166 HB3 SER 26 2HB SER 26 2.025 10.730 1.294
167 HG SER 26 HG SER 26 4.521 11.152 0.515
168 H HIS 27 H HIS 27 0.222 9.706 1.202
169 HA HIS 27 HA HIS 27 0.581 7.514 2.769
170 HB2 HIS 27 1HB HIS 27 -2.103 8.530 1.809
171 HB3 HIS 27 2HB HIS 27 -1.816 7.572 3.259
172 HD1 HIS 27 HD1 HIS 27 -3.143 10.363 3.390
173 HD2 HIS 27 HD2 HIS 27 0.915 9.655 3.933
174 HE1 HIS 27 HE1 HIS 27 -2.295 12.310 4.737
175 H LEU 28 H LEU 28 -1.342 7.583 -0.228
176 HA LEU 28 HA LEU 28 -2.130 4.926 -0.273
177 HB2 LEU 28 1HB LEU 28 -3.125 6.357 -1.833
178 HB3 LEU 28 2HB LEU 28 -1.568 6.913 -2.446
179 HG LEU 28 HG LEU 28 -1.226 4.694 -3.483
180 HD11 LEU 28 1HD1 LEU 28 -3.986 4.195 -2.395
181 HD12 LEU 28 2HD1 LEU 28 -2.518 3.259 -2.113
182 HD13 LEU 28 3HD1 LEU 28 -3.276 3.251 -3.705
183 HD21 LEU 28 3HD2 LEU 28 -3.842 5.929 -4.322
184 HD22 LEU 28 1HD2 LEU 28 -2.690 5.051 -5.328
185 HD23 LEU 28 2HD2 LEU 28 -2.266 6.635 -4.678
186 H ALA 29 H ALA 29 0.783 6.386 -1.701
187 HA ALA 29 HA ALA 29 1.901 4.181 -2.900
188 HB1 ALA 29 3HB ALA 29 3.999 5.620 -1.617
189 HB2 ALA 29 1HB ALA 29 3.505 5.655 -3.310
190 HB3 ALA 29 2HB ALA 29 2.768 6.765 -2.154
191 H ARG 30 H ARG 30 2.218 5.179 0.496
192 HA ARG 30 HA ARG 30 3.950 3.119 1.296
193 HB2 ARG 30 1HB ARG 30 2.017 4.892 2.755
194 HB3 ARG 30 2HB ARG 30 2.853 3.600 3.606
195 HG2 ARG 30 1HG ARG 30 4.281 5.330 3.997
196 HG3 ARG 30 2HG ARG 30 4.974 4.694 2.504
197 HD2 ARG 30 1HD ARG 30 3.553 6.362 1.265
198 HD3 ARG 30 2HD ARG 30 3.159 7.075 2.829
199 HE ARG 30 HE ARG 30 5.177 8.121 2.770
200 HH11 ARG 30 1HH1 ARG 30 5.347 5.301 0.736
201 HH12 ARG 30 2HH1 ARG 30 6.959 5.629 0.192
202 HH21 ARG 30 1HH2 ARG 30 7.300 8.564 2.061
203 HH22 ARG 30 2HH2 ARG 30 8.069 7.485 0.947
204 H HIS 31 H HIS 31 0.414 3.376 1.691
205 HA HIS 31 HA HIS 31 -0.178 1.013 2.881
206 HB2 HIS 31 1HB HIS 31 -1.990 2.441 2.417
207 HB3 HIS 31 2HB HIS 31 -1.618 2.499 0.696
208 HD1 HIS 31 HD1 HIS 31 -2.617 -0.207 3.191
209 HD2 HIS 31 HD2 HIS 31 -3.326 0.978 -0.727
210 HE1 HIS 31 HE1 HIS 31 -4.306 -1.838 2.291
211 H ARG 32 H ARG 32 0.127 1.442 -0.647
212 HA ARG 32 HA ARG 32 -0.335 -1.024 -1.605
213 HB2 ARG 32 1HB ARG 32 1.857 0.905 -2.333
214 HB3 ARG 32 2HB ARG 32 1.626 -0.599 -3.215
215 HG2 ARG 32 1HG ARG 32 -0.599 0.067 -3.858
216 HG3 ARG 32 2HG ARG 32 -0.478 1.527 -2.873
217 HD2 ARG 32 1HD ARG 32 -0.044 2.233 -5.070
218 HD3 ARG 32 2HD ARG 32 1.538 2.132 -4.299
219 HE ARG 32 HE ARG 32 1.352 -0.273 -5.439
220 HH11 ARG 32 1HH1 ARG 32 0.692 2.909 -6.687
221 HH12 ARG 32 2HH1 ARG 32 1.109 2.498 -8.318
222 HH21 ARG 32 1HH2 ARG 32 1.904 -0.826 -7.582
223 HH22 ARG 32 2HH2 ARG 32 1.797 0.373 -8.826
224 H ARG 33 H ARG 33 2.478 -0.064 0.259
225 HA ARG 33 HA ARG 33 4.235 -2.113 -0.132
226 HB2 ARG 33 1HB ARG 33 3.480 -0.731 2.443
227 HB3 ARG 33 2HB ARG 33 4.840 -1.837 2.310
228 HG2 ARG 33 1HG ARG 33 5.947 -0.397 0.757
229 HG3 ARG 33 2HG ARG 33 4.531 0.649 0.645
230 HD2 ARG 33 1HD ARG 33 4.881 1.571 2.728
231 HD3 ARG 33 2HD ARG 33 5.791 0.176 3.307
232 HE ARG 33 HE ARG 33 6.829 2.471 1.932
233 HH11 ARG 33 1HH1 ARG 33 7.329 -0.903 2.630
234 HH12 ARG 33 2HH1 ARG 33 9.042 -0.834 2.384
235 HH21 ARG 33 1HH2 ARG 33 9.084 2.574 1.604
236 HH22 ARG 33 2HH2 ARG 33 10.040 1.145 1.801
237 H VAL 34 H VAL 34 1.415 -2.148 2.026
238 HA VAL 34 HA VAL 34 1.705 -4.591 3.235
239 HB VAL 34 HB VAL 34 -0.727 -4.704 3.427
240 HG11 VAL 34 1HG1 VAL 34 0.817 -2.925 4.606
241 HG12 VAL 34 2HG1 VAL 34 -0.164 -1.791 3.675
242 HG13 VAL 34 3HG1 VAL 34 -0.934 -2.896 4.815
243 HG21 VAL 34 3HG2 VAL 34 -1.849 -4.098 1.576
244 HG22 VAL 34 1HG2 VAL 34 -1.773 -2.477 2.267
245 HG23 VAL 34 2HG2 VAL 34 -0.590 -2.977 1.058
246 H HIS 35 H HIS 35 0.675 -3.910 -0.050
247 HA HIS 35 HA HIS 35 -0.097 -6.625 -0.606
248 HB2 HIS 35 1HB HIS 35 0.271 -4.178 -2.329
249 HB3 HIS 35 2HB HIS 35 -0.125 -5.754 -3.009
250 HD1 HIS 35 HD1 HIS 35 -2.437 -6.823 -2.032
251 HD2 HIS 35 HD2 HIS 35 -1.885 -2.735 -1.532
252 HE1 HIS 35 HE1 HIS 35 -4.722 -5.890 -1.550
253 H THR 36 H THR 36 2.568 -4.528 -1.709
254 HA THR 36 HA THR 36 3.966 -6.692 -2.955
255 HB THR 36 HB THR 36 5.841 -5.038 -3.157
256 HG1 THR 36 HG1 THR 36 3.960 -3.247 -1.979
257 HG21 THR 36 3HG2 THR 36 4.132 -5.249 -4.903
258 HG22 THR 36 1HG2 THR 36 4.684 -3.582 -4.746
259 HG23 THR 36 2HG2 THR 36 3.130 -4.064 -4.066
260 H GLY 37 H GLY 37 4.247 -8.248 -1.318
261 HA2 GLY 37 1HA GLY 37 6.623 -7.836 0.270
262 HA3 GLY 37 2HA GLY 37 5.158 -8.022 1.223
263 H GLY 38 H GLY 38 6.610 -9.609 -1.631
264 HA2 GLY 38 1HA GLY 38 6.979 -12.089 -0.308
265 HA3 GLY 38 2HA GLY 38 5.480 -12.117 -1.225
266 H LYS 39 H LYS 39 5.692 -11.415 -3.552
267 HA LYS 39 HA LYS 39 6.468 -12.240 -5.571
268 HB2 LYS 39 1HB LYS 39 7.541 -9.919 -4.965
269 HB3 LYS 39 2HB LYS 39 9.029 -10.853 -4.877
270 HG2 LYS 39 1HG LYS 39 9.060 -10.120 -7.052
271 HG3 LYS 39 2HG LYS 39 8.315 -11.711 -7.225
272 HD2 LYS 39 1HD LYS 39 6.088 -10.376 -6.921
273 HD3 LYS 39 2HD LYS 39 7.074 -8.999 -7.414
274 HE2 LYS 39 1HE LYS 39 7.738 -10.262 -9.440
275 HE3 LYS 39 2HE LYS 39 6.641 -11.555 -8.956
276 HZ1 LYS 39 3HZ LYS 39 5.708 -9.971 -10.607
277 HZ2 LYS 39 1HZ LYS 39 5.773 -8.758 -9.429
278 HZ3 LYS 39 2HZ LYS 39 4.786 -10.112 -9.196
279 HA PRO 40 HA PRO 40 9.255 -15.489 -3.570
280 HB2 PRO 40 1HB PRO 40 7.513 -17.562 -3.758
281 HB3 PRO 40 2HB PRO 40 7.585 -16.493 -2.353
282 HG2 PRO 40 1HG PRO 40 5.691 -16.450 -4.670
283 HG3 PRO 40 2HG PRO 40 5.351 -16.236 -2.943
284 HD2 PRO 40 1HD PRO 40 5.538 -14.151 -4.660
285 HD3 PRO 40 2HD PRO 40 6.020 -14.031 -2.956
286 H SER 41 H SER 41 10.582 -15.478 -5.372
287 HA SER 41 HA SER 41 9.638 -16.512 -7.903
288 HB2 SER 41 1HB SER 41 12.150 -15.247 -6.911
289 HB3 SER 41 2HB SER 41 12.255 -16.267 -8.346
290 HG SER 41 HG SER 41 10.367 -14.174 -8.071
291 H GLY 42 H GLY 42 12.341 -17.406 -5.742
292 HA2 GLY 42 1HA GLY 42 11.781 -20.229 -6.370
293 HA3 GLY 42 2HA GLY 42 13.413 -19.601 -6.542
294 HA PRO 43 HA PRO 43 14.243 -20.638 -2.366
295 HB2 PRO 43 1HB PRO 43 16.076 -18.744 -1.716
296 HB3 PRO 43 2HB PRO 43 16.434 -20.097 -2.795
297 HG2 PRO 43 1HG PRO 43 15.740 -17.265 -3.474
298 HG3 PRO 43 2HG PRO 43 16.980 -18.314 -4.185
299 HD2 PRO 43 1HD PRO 43 14.588 -17.875 -5.374
300 HD3 PRO 43 2HD PRO 43 15.461 -19.413 -5.526
301 H SER 44 H SER 44 13.509 -17.243 -3.039
302 HA SER 44 HA SER 44 12.339 -15.670 -1.885
303 HB2 SER 44 1HB SER 44 11.261 -18.170 -0.583
304 HB3 SER 44 2HB SER 44 10.687 -16.561 -0.148
305 HG SER 44 HG SER 44 9.461 -17.663 -1.826
306 H SER 45 H SER 45 14.945 -15.979 -1.114
307 HA SER 45 HA SER 45 14.910 -15.882 1.821
308 HB2 SER 45 1HB SER 45 17.064 -16.409 -0.202
309 HB3 SER 45 2HB SER 45 17.492 -15.851 1.416
310 HG SER 45 HG SER 45 15.684 -17.957 1.245
311 H GLY 46 H GLY 46 16.728 -14.292 2.651
312 HA2 GLY 46 1HA GLY 46 17.686 -12.058 1.655
313 HA3 GLY 46 2HA GLY 46 15.974 -11.669 1.590
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -29.414 -6.352 3.566
2 HA2 GLY 1 1HA GLY 1 -30.357 -6.394 6.223
3 HA3 GLY 1 2HA GLY 1 -30.376 -8.033 5.586
4 H SER 2 H SER 2 -28.277 -8.722 4.514
5 HA SER 2 HA SER 2 -26.155 -8.288 6.405
6 HB2 SER 2 1HB SER 2 -26.638 -10.517 5.389
7 HB3 SER 2 2HB SER 2 -26.098 -9.885 3.834
8 HG SER 2 HG SER 2 -24.429 -10.995 4.944
9 H SER 3 H SER 3 -26.625 -7.660 2.940
10 HA SER 3 HA SER 3 -24.178 -6.628 2.264
11 HB2 SER 3 1HB SER 3 -25.315 -5.362 0.513
12 HB3 SER 3 2HB SER 3 -26.051 -6.956 0.675
13 HG SER 3 HG SER 3 -27.049 -4.604 1.909
14 H GLY 4 H GLY 4 -23.166 -4.640 2.361
15 HA2 GLY 4 1HA GLY 4 -24.472 -2.398 3.655
16 HA3 GLY 4 2HA GLY 4 -23.181 -3.138 4.590
17 H SER 5 H SER 5 -22.786 -0.596 4.063
18 HA SER 5 HA SER 5 -20.463 -0.612 2.382
19 HB2 SER 5 1HB SER 5 -22.938 0.882 1.518
20 HB3 SER 5 2HB SER 5 -21.324 1.353 0.984
21 HG SER 5 HG SER 5 -22.880 -0.786 0.229
22 H SER 6 H SER 6 -19.651 1.801 2.183
23 HA SER 6 HA SER 6 -20.362 3.424 4.482
24 HB2 SER 6 1HB SER 6 -18.749 1.948 5.504
25 HB3 SER 6 2HB SER 6 -17.621 2.181 4.170
26 HG SER 6 HG SER 6 -17.764 3.574 6.382
27 H GLY 7 H GLY 7 -19.567 5.566 4.369
28 HA2 GLY 7 1HA GLY 7 -17.864 6.411 2.220
29 HA3 GLY 7 2HA GLY 7 -19.555 6.781 1.916
30 H THR 8 H THR 8 -16.747 8.000 3.114
31 HA THR 8 HA THR 8 -18.189 9.957 4.782
32 HB THR 8 HB THR 8 -15.311 9.128 5.183
33 HG1 THR 8 HG1 THR 8 -16.333 8.166 7.161
34 HG21 THR 8 3HG2 THR 8 -17.100 11.144 6.377
35 HG22 THR 8 1HG2 THR 8 -15.341 11.118 6.257
36 HG23 THR 8 2HG2 THR 8 -16.153 10.195 7.522
37 H GLY 9 H GLY 9 -15.416 9.408 2.639
38 HA2 GLY 9 1HA GLY 9 -15.799 11.992 1.422
39 HA3 GLY 9 2HA GLY 9 -14.335 11.890 2.389
40 H GLU 10 H GLU 10 -15.755 11.257 -0.620
41 HA GLU 10 HA GLU 10 -14.089 9.155 -1.528
42 HB2 GLU 10 1HB GLU 10 -14.832 9.798 -3.775
43 HB3 GLU 10 2HB GLU 10 -16.182 9.716 -2.652
44 HG2 GLU 10 1HG GLU 10 -15.945 12.217 -2.387
45 HG3 GLU 10 2HG GLU 10 -14.847 12.162 -3.765
46 H LYS 11 H LYS 11 -12.394 9.311 -3.144
47 HA LYS 11 HA LYS 11 -11.020 11.846 -3.426
48 HB2 LYS 11 1HB LYS 11 -9.721 9.506 -2.017
49 HB3 LYS 11 2HB LYS 11 -8.877 10.954 -2.549
50 HG2 LYS 11 1HG LYS 11 -11.154 10.968 -0.582
51 HG3 LYS 11 2HG LYS 11 -9.449 10.910 -0.126
52 HD2 LYS 11 1HD LYS 11 -9.036 13.048 -1.084
53 HD3 LYS 11 2HD LYS 11 -10.616 13.071 -1.871
54 HE2 LYS 11 1HE LYS 11 -11.517 12.868 0.568
55 HE3 LYS 11 2HE LYS 11 -9.920 13.469 1.009
56 HZ1 LYS 11 3HZ LYS 11 -10.649 15.500 0.579
57 HZ2 LYS 11 1HZ LYS 11 -12.139 14.909 0.035
58 HZ3 LYS 11 2HZ LYS 11 -10.852 15.082 -1.048
59 HA PRO 12 HA PRO 12 -9.865 10.129 -7.299
60 HB2 PRO 12 1HB PRO 12 -7.538 11.443 -7.777
61 HB3 PRO 12 2HB PRO 12 -9.120 12.226 -7.868
62 HG2 PRO 12 1HG PRO 12 -7.115 12.261 -5.646
63 HG3 PRO 12 2HG PRO 12 -8.079 13.596 -6.303
64 HD2 PRO 12 1HD PRO 12 -8.742 12.309 -4.015
65 HD3 PRO 12 2HD PRO 12 -9.958 12.991 -5.114
66 H TYR 13 H TYR 13 -7.874 9.749 -4.528
67 HA TYR 13 HA TYR 13 -6.109 7.856 -5.905
68 HB2 TYR 13 1HB TYR 13 -5.948 9.042 -3.127
69 HB3 TYR 13 2HB TYR 13 -4.787 7.905 -3.803
70 HD1 TYR 13 HD1 TYR 13 -3.499 8.611 -5.886
71 HD2 TYR 13 HD2 TYR 13 -5.729 11.346 -3.508
72 HE1 TYR 13 HE1 TYR 13 -2.225 10.480 -6.852
73 HE2 TYR 13 HE2 TYR 13 -4.462 13.222 -4.468
74 HH TYR 13 HH TYR 13 -1.621 12.891 -6.075
75 H LYS 14 H LYS 14 -6.865 5.850 -5.995
76 HA LYS 14 HA LYS 14 -7.894 4.631 -3.536
77 HB2 LYS 14 1HB LYS 14 -9.914 5.120 -4.669
78 HB3 LYS 14 2HB LYS 14 -9.248 4.643 -6.226
79 HG2 LYS 14 1HG LYS 14 -9.158 2.307 -5.432
80 HG3 LYS 14 2HG LYS 14 -9.927 2.819 -3.928
81 HD2 LYS 14 1HD LYS 14 -11.945 3.298 -4.979
82 HD3 LYS 14 2HD LYS 14 -11.195 3.436 -6.571
83 HE2 LYS 14 1HE LYS 14 -11.223 0.832 -5.083
84 HE3 LYS 14 2HE LYS 14 -12.605 1.344 -6.050
85 HZ1 LYS 14 3HZ LYS 14 -11.554 0.810 -7.918
86 HZ2 LYS 14 1HZ LYS 14 -10.401 0.020 -6.963
87 HZ3 LYS 14 2HZ LYS 14 -10.136 1.614 -7.463
88 H CYS 15 H CYS 15 -7.280 2.543 -3.217
89 HA CYS 15 HA CYS 15 -5.192 1.522 -4.924
90 HB2 CYS 15 1HB CYS 15 -5.073 1.373 -2.446
91 HB3 CYS 15 2HB CYS 15 -6.447 0.271 -2.471
92 H ASN 16 H ASN 16 -5.425 0.112 -6.525
93 HA ASN 16 HA ASN 16 -8.037 -1.090 -6.984
94 HB2 ASN 16 1HB ASN 16 -6.459 0.089 -8.736
95 HB3 ASN 16 2HB ASN 16 -5.707 -1.501 -8.817
96 HD21 ASN 16 1HD2 ASN 16 -8.884 0.059 -8.940
97 HD22 ASN 16 2HD2 ASN 16 -9.548 -0.999 -10.134
98 H GLU 17 H GLU 17 -5.853 -1.972 -4.970
99 HA GLU 17 HA GLU 17 -5.529 -4.746 -5.863
100 HB2 GLU 17 1HB GLU 17 -4.310 -3.480 -3.413
101 HB3 GLU 17 2HB GLU 17 -3.829 -4.973 -4.206
102 HG2 GLU 17 1HG GLU 17 -3.508 -2.176 -5.265
103 HG3 GLU 17 2HG GLU 17 -2.233 -3.257 -4.705
104 H CYS 18 H CYS 18 -6.473 -2.947 -2.933
105 HA CYS 18 HA CYS 18 -8.047 -5.286 -2.094
106 HB2 CYS 18 1HB CYS 18 -8.015 -4.226 0.164
107 HB3 CYS 18 2HB CYS 18 -6.414 -4.638 -0.441
108 H GLY 19 H GLY 19 -8.185 -1.735 -2.283
109 HA2 GLY 19 1HA GLY 19 -10.283 -0.933 -3.424
110 HA3 GLY 19 2HA GLY 19 -11.131 -1.953 -2.271
111 H LYS 20 H LYS 20 -8.304 -0.063 -1.441
112 HA LYS 20 HA LYS 20 -9.927 1.428 0.479
113 HB2 LYS 20 1HB LYS 20 -6.988 0.877 0.205
114 HB3 LYS 20 2HB LYS 20 -7.556 2.190 1.228
115 HG2 LYS 20 1HG LYS 20 -9.080 0.349 2.266
116 HG3 LYS 20 2HG LYS 20 -7.896 -0.753 1.559
117 HD2 LYS 20 1HD LYS 20 -6.138 0.147 2.844
118 HD3 LYS 20 2HD LYS 20 -7.086 1.568 3.290
119 HE2 LYS 20 1HE LYS 20 -8.675 -0.162 4.395
120 HE3 LYS 20 2HE LYS 20 -7.285 -1.241 4.305
121 HZ1 LYS 20 3HZ LYS 20 -6.501 -0.297 6.130
122 HZ2 LYS 20 1HZ LYS 20 -7.808 0.777 6.183
123 HZ3 LYS 20 2HZ LYS 20 -6.404 1.195 5.337
124 H VAL 21 H VAL 21 -9.371 3.750 0.824
125 HA VAL 21 HA VAL 21 -8.579 5.105 -1.662
126 HB VAL 21 HB VAL 21 -10.866 6.112 0.012
127 HG11 VAL 21 1HG1 VAL 21 -9.495 7.513 -1.696
128 HG12 VAL 21 2HG1 VAL 21 -10.428 6.622 -2.900
129 HG13 VAL 21 3HG1 VAL 21 -11.255 7.615 -1.699
130 HG21 VAL 21 3HG2 VAL 21 -12.442 5.005 -1.304
131 HG22 VAL 21 1HG2 VAL 21 -11.258 4.598 -2.546
132 HG23 VAL 21 2HG2 VAL 21 -11.225 3.768 -0.990
133 H PHE 22 H PHE 22 -7.647 7.153 -1.407
134 HA PHE 22 HA PHE 22 -7.185 8.099 1.321
135 HB2 PHE 22 1HB PHE 22 -4.908 7.764 -0.634
136 HB3 PHE 22 2HB PHE 22 -4.808 8.233 1.060
137 HD1 PHE 22 HD2 PHE 22 -5.407 5.446 -1.257
138 HD2 PHE 22 HD1 PHE 22 -4.856 6.605 2.802
139 HE1 PHE 22 HE2 PHE 22 -5.100 3.088 -0.629
140 HE2 PHE 22 HE1 PHE 22 -4.547 4.248 3.436
141 HZ PHE 22 HZ PHE 22 -4.670 2.485 1.720
142 H THR 23 H THR 23 -6.266 10.291 1.379
143 HA THR 23 HA THR 23 -7.363 11.892 -0.806
144 HB THR 23 HB THR 23 -8.102 12.546 1.398
145 HG1 THR 23 HG1 THR 23 -7.970 14.444 0.456
146 HG21 THR 23 3HG2 THR 23 -6.800 12.518 3.211
147 HG22 THR 23 1HG2 THR 23 -5.616 13.580 2.451
148 HG23 THR 23 2HG2 THR 23 -5.526 11.837 2.201
149 H GLN 24 H GLN 24 -4.340 10.996 0.633
150 HA GLN 24 HA GLN 24 -2.945 12.859 -1.174
151 HB2 GLN 24 1HB GLN 24 -2.034 11.737 1.480
152 HB3 GLN 24 2HB GLN 24 -1.024 12.695 0.406
153 HG2 GLN 24 1HG GLN 24 -3.520 13.583 1.829
154 HG3 GLN 24 2HG GLN 24 -1.865 14.106 2.140
155 HE21 GLN 24 1HE2 GLN 24 -0.771 15.248 0.377
156 HE22 GLN 24 2HE2 GLN 24 -1.706 16.280 -0.644
157 H ASN 25 H ASN 25 -1.302 12.086 -2.455
158 HA ASN 25 HA ASN 25 -1.426 9.401 -3.269
159 HB2 ASN 25 1HB ASN 25 0.162 9.955 -4.868
160 HB3 ASN 25 2HB ASN 25 -0.536 11.531 -4.506
161 HD21 ASN 25 1HD2 ASN 25 0.611 12.864 -2.933
162 HD22 ASN 25 2HD2 ASN 25 2.334 12.767 -2.863
163 H SER 26 H SER 26 1.026 11.124 -1.353
164 HA SER 26 HA SER 26 2.916 9.222 -0.968
165 HB2 SER 26 1HB SER 26 1.770 11.023 1.180
166 HB3 SER 26 2HB SER 26 3.329 10.203 1.262
167 HG SER 26 HG SER 26 3.540 11.410 -0.937
168 H HIS 27 H HIS 27 0.122 9.597 1.222
169 HA HIS 27 HA HIS 27 0.464 7.385 2.791
170 HB2 HIS 27 1HB HIS 27 -2.171 8.435 1.737
171 HB3 HIS 27 2HB HIS 27 -1.974 7.395 3.144
172 HD1 HIS 27 HD1 HIS 27 -3.282 10.205 3.328
173 HD2 HIS 27 HD2 HIS 27 0.714 9.394 4.121
174 HE1 HIS 27 HE1 HIS 27 -2.507 12.060 4.838
175 H LEU 28 H LEU 28 -1.291 7.502 -0.303
176 HA LEU 28 HA LEU 28 -2.029 4.814 -0.413
177 HB2 LEU 28 1HB LEU 28 -3.050 6.269 -1.941
178 HB3 LEU 28 2HB LEU 28 -1.502 6.876 -2.527
179 HG LEU 28 HG LEU 28 -1.095 4.729 -3.644
180 HD11 LEU 28 1HD1 LEU 28 -3.913 3.988 -2.896
181 HD12 LEU 28 2HD1 LEU 28 -2.494 3.401 -2.029
182 HD13 LEU 28 3HD1 LEU 28 -2.713 3.001 -3.732
183 HD21 LEU 28 3HD2 LEU 28 -3.612 6.240 -4.266
184 HD22 LEU 28 1HD2 LEU 28 -3.048 4.918 -5.287
185 HD23 LEU 28 2HD2 LEU 28 -2.035 6.343 -5.051
186 H ALA 29 H ALA 29 0.860 6.422 -1.718
187 HA ALA 29 HA ALA 29 2.069 4.291 -2.979
188 HB1 ALA 29 3HB ALA 29 3.784 6.131 -1.386
189 HB2 ALA 29 1HB ALA 29 3.977 5.553 -3.041
190 HB3 ALA 29 2HB ALA 29 2.787 6.803 -2.676
191 H ARG 30 H ARG 30 2.253 5.186 0.452
192 HA ARG 30 HA ARG 30 4.037 3.108 1.182
193 HB2 ARG 30 1HB ARG 30 2.083 4.706 2.846
194 HB3 ARG 30 2HB ARG 30 3.304 3.627 3.508
195 HG2 ARG 30 1HG ARG 30 5.070 4.998 2.613
196 HG3 ARG 30 2HG ARG 30 3.895 6.033 1.799
197 HD2 ARG 30 1HD ARG 30 4.307 7.274 3.679
198 HD3 ARG 30 2HD ARG 30 2.937 6.309 4.228
199 HE ARG 30 HE ARG 30 5.205 4.877 4.883
200 HH11 ARG 30 1HH1 ARG 30 3.840 7.986 5.648
201 HH12 ARG 30 2HH1 ARG 30 4.549 8.055 7.227
202 HH21 ARG 30 1HH2 ARG 30 6.145 4.955 6.960
203 HH22 ARG 30 2HH2 ARG 30 5.861 6.331 7.972
204 H HIS 31 H HIS 31 0.518 3.456 1.643
205 HA HIS 31 HA HIS 31 -0.103 1.103 2.852
206 HB2 HIS 31 1HB HIS 31 -1.870 2.620 2.428
207 HB3 HIS 31 2HB HIS 31 -1.572 2.605 0.692
208 HD1 HIS 31 HD1 HIS 31 -2.710 0.167 3.384
209 HD2 HIS 31 HD2 HIS 31 -3.233 0.954 -0.662
210 HE1 HIS 31 HE1 HIS 31 -4.451 -1.469 2.601
211 H ARG 32 H ARG 32 0.240 1.563 -0.662
212 HA ARG 32 HA ARG 32 -0.359 -0.876 -1.650
213 HB2 ARG 32 1HB ARG 32 1.974 0.894 -2.378
214 HB3 ARG 32 2HB ARG 32 1.516 -0.522 -3.315
215 HG2 ARG 32 1HG ARG 32 -0.746 0.501 -3.602
216 HG3 ARG 32 2HG ARG 32 -0.109 1.964 -2.847
217 HD2 ARG 32 1HD ARG 32 0.180 2.432 -5.085
218 HD3 ARG 32 2HD ARG 32 1.751 1.756 -4.657
219 HE ARG 32 HE ARG 32 0.408 -0.411 -5.505
220 HH11 ARG 32 1HH1 ARG 32 0.855 2.756 -6.880
221 HH12 ARG 32 2HH1 ARG 32 0.756 2.202 -8.519
222 HH21 ARG 32 1HH2 ARG 32 0.276 -1.153 -7.658
223 HH22 ARG 32 2HH2 ARG 32 0.426 -0.022 -8.960
224 H ARG 33 H ARG 33 2.493 -0.053 0.218
225 HA ARG 33 HA ARG 33 4.137 -2.207 -0.222
226 HB2 ARG 33 1HB ARG 33 3.562 -0.740 2.354
227 HB3 ARG 33 2HB ARG 33 4.863 -1.910 2.175
228 HG2 ARG 33 1HG ARG 33 4.689 0.385 0.281
229 HG3 ARG 33 2HG ARG 33 5.330 0.637 1.905
230 HD2 ARG 33 1HD ARG 33 6.986 -1.120 1.526
231 HD3 ARG 33 2HD ARG 33 6.338 -1.386 -0.092
232 HE ARG 33 HE ARG 33 8.052 0.773 0.766
233 HH11 ARG 33 1HH1 ARG 33 5.813 -0.373 -1.642
234 HH12 ARG 33 2HH1 ARG 33 6.404 0.683 -2.882
235 HH21 ARG 33 1HH2 ARG 33 8.839 2.168 -0.859
236 HH22 ARG 33 2HH2 ARG 33 8.126 2.127 -2.436
237 H VAL 34 H VAL 34 1.365 -2.024 1.981
238 HA VAL 34 HA VAL 34 1.502 -4.371 3.336
239 HB VAL 34 HB VAL 34 -0.980 -4.469 3.281
240 HG11 VAL 34 1HG1 VAL 34 0.598 -2.084 3.998
241 HG12 VAL 34 2HG1 VAL 34 -1.153 -1.868 3.956
242 HG13 VAL 34 3HG1 VAL 34 -0.439 -3.103 4.995
243 HG21 VAL 34 3HG2 VAL 34 -1.592 -2.041 1.997
244 HG22 VAL 34 1HG2 VAL 34 -0.583 -2.960 0.879
245 HG23 VAL 34 2HG2 VAL 34 -2.067 -3.670 1.515
246 H HIS 35 H HIS 35 0.893 -3.967 -0.066
247 HA HIS 35 HA HIS 35 0.182 -6.778 -0.393
248 HB2 HIS 35 1HB HIS 35 0.381 -4.560 -2.440
249 HB3 HIS 35 2HB HIS 35 -0.218 -6.187 -2.748
250 HD1 HIS 35 HD1 HIS 35 -2.506 -6.824 -1.543
251 HD2 HIS 35 HD2 HIS 35 -1.473 -2.801 -1.444
252 HE1 HIS 35 HE1 HIS 35 -4.614 -5.604 -0.916
253 H THR 36 H THR 36 2.439 -7.240 0.458
254 HA THR 36 HA THR 36 4.248 -7.498 -1.843
255 HB THR 36 HB THR 36 6.194 -7.104 -0.360
256 HG1 THR 36 HG1 THR 36 4.132 -6.752 1.509
257 HG21 THR 36 3HG2 THR 36 5.483 -4.563 0.092
258 HG22 THR 36 1HG2 THR 36 4.178 -5.028 -0.998
259 HG23 THR 36 2HG2 THR 36 5.856 -5.175 -1.519
260 H GLY 37 H GLY 37 4.227 -9.632 -2.214
261 HA2 GLY 37 1HA GLY 37 4.251 -11.905 -1.829
262 HA3 GLY 37 2HA GLY 37 5.548 -11.492 -0.718
263 H GLY 38 H GLY 38 1.980 -11.371 -0.827
264 HA2 GLY 38 1HA GLY 38 1.125 -13.111 0.923
265 HA3 GLY 38 2HA GLY 38 1.939 -12.020 2.034
266 H LYS 39 H LYS 39 -0.941 -12.788 1.645
267 HA LYS 39 HA LYS 39 -2.242 -10.388 0.734
268 HB2 LYS 39 1HB LYS 39 -3.102 -13.025 1.807
269 HB3 LYS 39 2HB LYS 39 -4.223 -11.681 1.984
270 HG2 LYS 39 1HG LYS 39 -4.913 -12.468 -0.026
271 HG3 LYS 39 2HG LYS 39 -3.663 -11.352 -0.581
272 HD2 LYS 39 1HD LYS 39 -2.856 -14.141 0.057
273 HD3 LYS 39 2HD LYS 39 -3.779 -13.866 -1.422
274 HE2 LYS 39 1HE LYS 39 -2.136 -12.340 -2.246
275 HE3 LYS 39 2HE LYS 39 -1.285 -12.337 -0.702
276 HZ1 LYS 39 3HZ LYS 39 -0.814 -13.987 -2.867
277 HZ2 LYS 39 1HZ LYS 39 -1.519 -14.978 -1.691
278 HZ3 LYS 39 2HZ LYS 39 -0.121 -14.098 -1.328
279 HA PRO 40 HA PRO 40 -2.163 -8.123 4.508
280 HB2 PRO 40 1HB PRO 40 -4.331 -6.539 4.107
281 HB3 PRO 40 2HB PRO 40 -2.800 -6.305 3.256
282 HG2 PRO 40 1HG PRO 40 -5.300 -7.660 2.320
283 HG3 PRO 40 2HG PRO 40 -4.239 -6.540 1.445
284 HD2 PRO 40 1HD PRO 40 -4.138 -9.223 1.089
285 HD3 PRO 40 2HD PRO 40 -2.704 -8.186 0.948
286 H SER 41 H SER 41 -5.435 -9.155 3.517
287 HA SER 41 HA SER 41 -5.855 -10.495 6.029
288 HB2 SER 41 1HB SER 41 -6.348 -8.007 6.438
289 HB3 SER 41 2HB SER 41 -7.754 -8.239 5.399
290 HG SER 41 HG SER 41 -7.742 -8.641 7.905
291 H GLY 42 H GLY 42 -7.692 -11.848 6.025
292 HA2 GLY 42 1HA GLY 42 -8.329 -13.129 3.692
293 HA3 GLY 42 2HA GLY 42 -9.381 -13.110 5.099
294 HA PRO 43 HA PRO 43 -11.011 -10.552 1.356
295 HB2 PRO 43 1HB PRO 43 -12.359 -12.452 -0.038
296 HB3 PRO 43 2HB PRO 43 -10.679 -12.022 -0.378
297 HG2 PRO 43 1HG PRO 43 -11.764 -14.326 1.195
298 HG3 PRO 43 2HG PRO 43 -10.444 -14.303 0.011
299 HD2 PRO 43 1HD PRO 43 -10.005 -14.296 2.683
300 HD3 PRO 43 2HD PRO 43 -8.923 -13.481 1.536
301 H SER 44 H SER 44 -12.488 -13.357 2.959
302 HA SER 44 HA SER 44 -14.838 -11.680 3.542
303 HB2 SER 44 1HB SER 44 -15.200 -13.501 1.774
304 HB3 SER 44 2HB SER 44 -15.013 -14.658 3.092
305 HG SER 44 HG SER 44 -17.213 -14.045 2.682
306 H SER 45 H SER 45 -16.220 -13.011 5.290
307 HA SER 45 HA SER 45 -16.381 -13.760 7.437
308 HB2 SER 45 1HB SER 45 -13.520 -14.647 7.459
309 HB3 SER 45 2HB SER 45 -14.932 -15.409 8.190
310 HG SER 45 HG SER 45 -15.520 -15.540 5.741
311 H GLY 46 H GLY 46 -16.005 -11.140 7.196
312 HA2 GLY 46 1HA GLY 46 -15.630 -9.527 8.901
313 HA3 GLY 46 2HA GLY 46 -14.322 -10.525 9.518
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -27.476 -9.117 14.318
2 HA2 GLY 1 1HA GLY 1 -25.220 -10.009 12.905
3 HA3 GLY 1 2HA GLY 1 -26.504 -9.698 11.745
4 H SER 2 H SER 2 -23.944 -8.335 12.066
5 HA SER 2 HA SER 2 -24.609 -5.726 13.145
6 HB2 SER 2 1HB SER 2 -22.335 -6.726 13.421
7 HB3 SER 2 2HB SER 2 -22.106 -6.589 11.678
8 HG SER 2 HG SER 2 -21.272 -4.738 12.394
9 H SER 3 H SER 3 -23.987 -3.780 11.758
10 HA SER 3 HA SER 3 -24.247 -3.997 8.923
11 HB2 SER 3 1HB SER 3 -26.409 -2.909 8.664
12 HB3 SER 3 2HB SER 3 -26.604 -4.383 9.613
13 HG SER 3 HG SER 3 -26.471 -1.724 10.598
14 H GLY 4 H GLY 4 -24.547 -1.744 7.931
15 HA2 GLY 4 1HA GLY 4 -24.353 0.660 8.333
16 HA3 GLY 4 2HA GLY 4 -23.294 0.278 9.682
17 H SER 5 H SER 5 -23.547 -0.078 6.154
18 HA SER 5 HA SER 5 -20.703 -0.432 5.867
19 HB2 SER 5 1HB SER 5 -22.213 -1.547 4.309
20 HB3 SER 5 2HB SER 5 -22.871 0.007 3.798
21 HG SER 5 HG SER 5 -21.104 -1.058 2.499
22 H SER 6 H SER 6 -19.816 1.448 6.764
23 HA SER 6 HA SER 6 -20.530 4.071 6.190
24 HB2 SER 6 1HB SER 6 -17.794 2.945 6.833
25 HB3 SER 6 2HB SER 6 -18.207 4.659 6.871
26 HG SER 6 HG SER 6 -18.551 4.060 8.911
27 H GLY 7 H GLY 7 -20.560 5.147 4.338
28 HA2 GLY 7 1HA GLY 7 -18.399 4.704 2.401
29 HA3 GLY 7 2HA GLY 7 -20.061 4.529 1.857
30 H THR 8 H THR 8 -18.406 6.891 3.950
31 HA THR 8 HA THR 8 -19.536 9.019 2.253
32 HB THR 8 HB THR 8 -20.487 9.381 4.346
33 HG1 THR 8 HG1 THR 8 -19.363 11.262 3.622
34 HG21 THR 8 3HG2 THR 8 -19.461 7.808 5.743
35 HG22 THR 8 1HG2 THR 8 -19.005 9.357 6.450
36 HG23 THR 8 2HG2 THR 8 -17.851 8.467 5.457
37 H GLY 9 H GLY 9 -17.683 8.821 0.834
38 HA2 GLY 9 1HA GLY 9 -15.605 10.656 1.547
39 HA3 GLY 9 2HA GLY 9 -15.022 8.999 1.487
40 H GLU 10 H GLU 10 -14.318 11.294 -0.196
41 HA GLU 10 HA GLU 10 -14.638 9.968 -2.755
42 HB2 GLU 10 1HB GLU 10 -15.689 12.744 -2.222
43 HB3 GLU 10 2HB GLU 10 -15.317 12.164 -3.839
44 HG2 GLU 10 1HG GLU 10 -16.978 10.454 -3.682
45 HG3 GLU 10 2HG GLU 10 -17.259 10.818 -1.980
46 H LYS 11 H LYS 11 -12.533 9.724 -3.188
47 HA LYS 11 HA LYS 11 -10.907 12.139 -3.452
48 HB2 LYS 11 1HB LYS 11 -9.875 9.664 -2.060
49 HB3 LYS 11 2HB LYS 11 -9.017 11.181 -2.297
50 HG2 LYS 11 1HG LYS 11 -9.673 11.375 -0.113
51 HG3 LYS 11 2HG LYS 11 -11.006 12.187 -0.938
52 HD2 LYS 11 1HD LYS 11 -12.485 10.499 -0.499
53 HD3 LYS 11 2HD LYS 11 -11.230 9.258 -0.479
54 HE2 LYS 11 1HE LYS 11 -11.192 11.328 1.654
55 HE3 LYS 11 2HE LYS 11 -12.431 10.076 1.736
56 HZ1 LYS 11 3HZ LYS 11 -10.435 8.499 1.370
57 HZ2 LYS 11 1HZ LYS 11 -10.704 9.146 2.910
58 HZ3 LYS 11 2HZ LYS 11 -9.506 9.804 1.914
59 HA PRO 12 HA PRO 12 -9.770 10.236 -7.255
60 HB2 PRO 12 1HB PRO 12 -7.484 11.612 -7.757
61 HB3 PRO 12 2HB PRO 12 -9.092 12.327 -7.925
62 HG2 PRO 12 1HG PRO 12 -7.143 12.562 -5.666
63 HG3 PRO 12 2HG PRO 12 -8.142 13.820 -6.417
64 HD2 PRO 12 1HD PRO 12 -8.808 12.635 -4.075
65 HD3 PRO 12 2HD PRO 12 -10.024 13.207 -5.236
66 H TYR 13 H TYR 13 -7.879 10.042 -4.413
67 HA TYR 13 HA TYR 13 -5.916 8.251 -5.631
68 HB2 TYR 13 1HB TYR 13 -6.094 9.243 -2.778
69 HB3 TYR 13 2HB TYR 13 -4.746 8.367 -3.497
70 HD1 TYR 13 HD1 TYR 13 -3.414 9.476 -5.326
71 HD2 TYR 13 HD2 TYR 13 -6.265 11.589 -2.978
72 HE1 TYR 13 HE1 TYR 13 -2.386 11.605 -6.004
73 HE2 TYR 13 HE2 TYR 13 -5.245 13.723 -3.650
74 HH TYR 13 HH TYR 13 -3.616 14.708 -4.788
75 H LYS 14 H LYS 14 -6.306 6.151 -5.708
76 HA LYS 14 HA LYS 14 -7.572 4.824 -3.442
77 HB2 LYS 14 1HB LYS 14 -9.324 5.472 -5.203
78 HB3 LYS 14 2HB LYS 14 -8.566 4.262 -6.229
79 HG2 LYS 14 1HG LYS 14 -8.999 2.570 -4.468
80 HG3 LYS 14 2HG LYS 14 -9.878 3.802 -3.560
81 HD2 LYS 14 1HD LYS 14 -11.624 2.847 -4.677
82 HD3 LYS 14 2HD LYS 14 -11.156 4.064 -5.867
83 HE2 LYS 14 1HE LYS 14 -9.910 1.351 -5.954
84 HE3 LYS 14 2HE LYS 14 -11.536 1.582 -6.594
85 HZ1 LYS 14 3HZ LYS 14 -10.363 3.577 -7.801
86 HZ2 LYS 14 1HZ LYS 14 -10.308 2.012 -8.442
87 HZ3 LYS 14 2HZ LYS 14 -8.985 2.620 -7.582
88 H CYS 15 H CYS 15 -7.246 2.521 -3.423
89 HA CYS 15 HA CYS 15 -4.754 1.779 -4.741
90 HB2 CYS 15 1HB CYS 15 -5.029 1.413 -2.301
91 HB3 CYS 15 2HB CYS 15 -6.341 0.288 -2.641
92 H ASN 16 H ASN 16 -4.680 0.542 -6.491
93 HA ASN 16 HA ASN 16 -7.116 -0.640 -7.519
94 HB2 ASN 16 1HB ASN 16 -5.501 0.601 -8.976
95 HB3 ASN 16 2HB ASN 16 -4.341 -0.698 -8.718
96 HD21 ASN 16 1HD2 ASN 16 -4.430 -2.439 -9.981
97 HD22 ASN 16 2HD2 ASN 16 -5.675 -2.768 -11.133
98 H GLU 17 H GLU 17 -5.295 -1.666 -5.179
99 HA GLU 17 HA GLU 17 -4.924 -4.410 -6.147
100 HB2 GLU 17 1HB GLU 17 -4.025 -3.317 -3.486
101 HB3 GLU 17 2HB GLU 17 -3.461 -4.765 -4.309
102 HG2 GLU 17 1HG GLU 17 -2.963 -1.915 -5.134
103 HG3 GLU 17 2HG GLU 17 -1.791 -3.043 -4.455
104 H CYS 18 H CYS 18 -6.142 -2.743 -3.237
105 HA CYS 18 HA CYS 18 -7.932 -5.028 -2.770
106 HB2 CYS 18 1HB CYS 18 -8.139 -4.102 -0.458
107 HB3 CYS 18 2HB CYS 18 -6.500 -4.584 -0.883
108 H GLY 19 H GLY 19 -7.869 -1.472 -2.752
109 HA2 GLY 19 1HA GLY 19 -9.747 -0.458 -4.064
110 HA3 GLY 19 2HA GLY 19 -10.798 -1.527 -3.146
111 H LYS 20 H LYS 20 -8.064 0.038 -1.660
112 HA LYS 20 HA LYS 20 -9.880 1.459 0.120
113 HB2 LYS 20 1HB LYS 20 -6.919 0.905 0.188
114 HB3 LYS 20 2HB LYS 20 -7.687 2.011 1.319
115 HG2 LYS 20 1HG LYS 20 -9.146 0.188 2.084
116 HG3 LYS 20 2HG LYS 20 -8.317 -0.915 0.982
117 HD2 LYS 20 1HD LYS 20 -6.186 -0.380 2.160
118 HD3 LYS 20 2HD LYS 20 -7.120 0.560 3.326
119 HE2 LYS 20 1HE LYS 20 -8.329 -1.400 4.015
120 HE3 LYS 20 2HE LYS 20 -7.581 -2.361 2.741
121 HZ1 LYS 20 3HZ LYS 20 -6.001 -2.871 4.186
122 HZ2 LYS 20 1HZ LYS 20 -6.621 -1.803 5.343
123 HZ3 LYS 20 2HZ LYS 20 -5.508 -1.253 4.194
124 H VAL 21 H VAL 21 -10.082 3.637 0.246
125 HA VAL 21 HA VAL 21 -8.746 5.200 -1.848
126 HB VAL 21 HB VAL 21 -10.975 6.307 -0.197
127 HG11 VAL 21 1HG1 VAL 21 -9.721 7.649 -1.893
128 HG12 VAL 21 2HG1 VAL 21 -10.362 6.572 -3.135
129 HG13 VAL 21 3HG1 VAL 21 -11.460 7.560 -2.171
130 HG21 VAL 21 3HG2 VAL 21 -12.345 5.279 -2.286
131 HG22 VAL 21 1HG2 VAL 21 -11.162 3.999 -2.014
132 HG23 VAL 21 2HG2 VAL 21 -12.231 4.504 -0.706
133 H PHE 22 H PHE 22 -7.693 7.133 -1.399
134 HA PHE 22 HA PHE 22 -7.265 7.792 1.429
135 HB2 PHE 22 1HB PHE 22 -5.049 7.607 -0.621
136 HB3 PHE 22 2HB PHE 22 -4.870 8.040 1.076
137 HD1 PHE 22 HD2 PHE 22 -5.479 5.311 -1.284
138 HD2 PHE 22 HD1 PHE 22 -4.932 6.368 2.802
139 HE1 PHE 22 HE2 PHE 22 -5.142 2.940 -0.720
140 HE2 PHE 22 HE1 PHE 22 -4.593 3.999 3.373
141 HZ PHE 22 HZ PHE 22 -4.699 2.281 1.611
142 H THR 23 H THR 23 -6.207 9.955 1.691
143 HA THR 23 HA THR 23 -7.489 11.841 -0.119
144 HB THR 23 HB THR 23 -7.760 12.177 2.298
145 HG1 THR 23 HG1 THR 23 -6.590 14.052 0.615
146 HG21 THR 23 3HG2 THR 23 -5.648 11.287 3.091
147 HG22 THR 23 1HG2 THR 23 -5.833 12.951 3.641
148 HG23 THR 23 2HG2 THR 23 -4.767 12.584 2.285
149 H GLN 24 H GLN 24 -4.262 10.937 0.975
150 HA GLN 24 HA GLN 24 -3.125 12.781 -1.020
151 HB2 GLN 24 1HB GLN 24 -1.939 11.669 1.524
152 HB3 GLN 24 2HB GLN 24 -1.002 12.543 0.318
153 HG2 GLN 24 1HG GLN 24 -3.454 13.821 1.405
154 HG3 GLN 24 2HG GLN 24 -2.014 13.751 2.420
155 HE21 GLN 24 1HE2 GLN 24 -3.640 15.582 0.242
156 HE22 GLN 24 2HE2 GLN 24 -2.345 16.568 -0.337
157 H ASN 25 H ASN 25 -1.223 12.040 -2.181
158 HA ASN 25 HA ASN 25 -1.574 9.394 -3.189
159 HB2 ASN 25 1HB ASN 25 0.098 9.933 -4.777
160 HB3 ASN 25 2HB ASN 25 -0.771 11.438 -4.490
161 HD21 ASN 25 1HD2 ASN 25 2.224 9.947 -4.582
162 HD22 ASN 25 2HD2 ASN 25 3.160 11.200 -3.849
163 H SER 26 H SER 26 0.919 10.980 -1.229
164 HA SER 26 HA SER 26 2.801 9.002 -1.041
165 HB2 SER 26 1HB SER 26 1.850 11.086 0.888
166 HB3 SER 26 2HB SER 26 3.024 9.886 1.430
167 HG SER 26 HG SER 26 3.765 11.980 0.395
168 H HIS 27 H HIS 27 -0.007 9.391 1.121
169 HA HIS 27 HA HIS 27 0.366 7.151 2.698
170 HB2 HIS 27 1HB HIS 27 -2.315 8.190 1.767
171 HB3 HIS 27 2HB HIS 27 -1.984 7.283 3.239
172 HD1 HIS 27 HD1 HIS 27 -3.368 9.937 3.537
173 HD2 HIS 27 HD2 HIS 27 0.768 9.541 3.554
174 HE1 HIS 27 HE1 HIS 27 -2.503 11.968 4.742
175 H LEU 28 H LEU 28 -1.283 7.408 -0.426
176 HA LEU 28 HA LEU 28 -2.172 4.730 -0.537
177 HB2 LEU 28 1HB LEU 28 -3.210 6.294 -1.966
178 HB3 LEU 28 2HB LEU 28 -1.667 6.814 -2.640
179 HG LEU 28 HG LEU 28 -1.451 4.730 -3.850
180 HD11 LEU 28 1HD1 LEU 28 -3.555 3.890 -2.023
181 HD12 LEU 28 2HD1 LEU 28 -2.387 2.929 -2.929
182 HD13 LEU 28 3HD1 LEU 28 -3.881 3.458 -3.702
183 HD21 LEU 28 3HD2 LEU 28 -2.698 6.555 -4.901
184 HD22 LEU 28 1HD2 LEU 28 -4.195 5.934 -4.204
185 HD23 LEU 28 2HD2 LEU 28 -3.317 4.979 -5.399
186 H ALA 29 H ALA 29 0.713 6.331 -1.847
187 HA ALA 29 HA ALA 29 1.807 4.134 -3.182
188 HB1 ALA 29 3HB ALA 29 4.012 5.515 -2.353
189 HB2 ALA 29 1HB ALA 29 3.049 5.897 -3.780
190 HB3 ALA 29 2HB ALA 29 2.751 6.744 -2.262
191 H ARG 30 H ARG 30 2.394 5.287 0.135
192 HA ARG 30 HA ARG 30 4.183 3.201 0.820
193 HB2 ARG 30 1HB ARG 30 3.990 3.989 3.079
194 HB3 ARG 30 2HB ARG 30 4.003 5.387 2.013
195 HG2 ARG 30 1HG ARG 30 1.576 5.565 2.207
196 HG3 ARG 30 2HG ARG 30 1.560 4.157 3.271
197 HD2 ARG 30 1HD ARG 30 3.303 6.471 3.966
198 HD3 ARG 30 2HD ARG 30 1.567 6.601 4.244
199 HE ARG 30 HE ARG 30 1.736 5.028 5.931
200 HH11 ARG 30 1HH1 ARG 30 4.754 5.304 4.217
201 HH12 ARG 30 2HH1 ARG 30 5.653 4.400 5.391
202 HH21 ARG 30 1HH2 ARG 30 2.909 3.838 7.483
203 HH22 ARG 30 2HH2 ARG 30 4.602 3.566 7.247
204 H HIS 31 H HIS 31 0.699 3.550 0.999
205 HA HIS 31 HA HIS 31 0.093 1.432 2.710
206 HB2 HIS 31 1HB HIS 31 -1.701 2.843 2.192
207 HB3 HIS 31 2HB HIS 31 -1.400 2.748 0.460
208 HD1 HIS 31 HD1 HIS 31 -2.565 0.460 3.266
209 HD2 HIS 31 HD2 HIS 31 -3.029 1.009 -0.826
210 HE1 HIS 31 HE1 HIS 31 -4.296 -1.220 2.554
211 H ARG 32 H ARG 32 0.206 1.426 -0.855
212 HA ARG 32 HA ARG 32 -0.397 -1.120 -1.474
213 HB2 ARG 32 1HB ARG 32 1.943 0.445 -2.577
214 HB3 ARG 32 2HB ARG 32 1.253 -0.989 -3.327
215 HG2 ARG 32 1HG ARG 32 -0.799 0.131 -3.767
216 HG3 ARG 32 2HG ARG 32 -0.317 1.518 -2.787
217 HD2 ARG 32 1HD ARG 32 1.652 1.725 -4.429
218 HD3 ARG 32 2HD ARG 32 0.712 0.656 -5.470
219 HE ARG 32 HE ARG 32 -1.057 2.595 -4.866
220 HH11 ARG 32 1HH1 ARG 32 2.217 2.672 -6.048
221 HH12 ARG 32 2HH1 ARG 32 2.002 4.149 -6.929
222 HH21 ARG 32 1HH2 ARG 32 -1.352 4.540 -6.021
223 HH22 ARG 32 2HH2 ARG 32 -0.027 5.211 -6.912
224 H ARG 33 H ARG 33 2.390 -0.083 0.307
225 HA ARG 33 HA ARG 33 4.159 -2.166 0.007
226 HB2 ARG 33 1HB ARG 33 3.456 -0.647 2.524
227 HB3 ARG 33 2HB ARG 33 4.860 -1.693 2.359
228 HG2 ARG 33 1HG ARG 33 4.363 0.667 0.567
229 HG3 ARG 33 2HG ARG 33 5.274 0.771 2.074
230 HD2 ARG 33 1HD ARG 33 5.945 -1.116 -0.177
231 HD3 ARG 33 2HD ARG 33 6.674 0.477 0.023
232 HE ARG 33 HE ARG 33 6.956 -1.010 2.402
233 HH11 ARG 33 1HH1 ARG 33 8.167 -0.846 -0.858
234 HH12 ARG 33 2HH1 ARG 33 9.708 -1.530 -0.459
235 HH21 ARG 33 1HH2 ARG 33 8.982 -1.911 2.940
236 HH22 ARG 33 2HH2 ARG 33 10.170 -2.136 1.702
237 H VAL 34 H VAL 34 1.354 -2.007 2.176
238 HA VAL 34 HA VAL 34 1.586 -4.280 3.638
239 HB VAL 34 HB VAL 34 -0.829 -4.441 3.723
240 HG11 VAL 34 1HG1 VAL 34 -0.401 -2.717 5.108
241 HG12 VAL 34 2HG1 VAL 34 0.545 -1.844 3.901
242 HG13 VAL 34 3HG1 VAL 34 -1.217 -1.771 3.864
243 HG21 VAL 34 3HG2 VAL 34 -0.797 -2.605 1.329
244 HG22 VAL 34 1HG2 VAL 34 -1.362 -4.275 1.378
245 HG23 VAL 34 2HG2 VAL 34 -2.237 -3.022 2.257
246 H HIS 35 H HIS 35 0.530 -4.072 0.267
247 HA HIS 35 HA HIS 35 -0.036 -6.853 0.007
248 HB2 HIS 35 1HB HIS 35 0.519 -4.771 -2.117
249 HB3 HIS 35 2HB HIS 35 -0.134 -6.379 -2.416
250 HD1 HIS 35 HD1 HIS 35 -2.592 -6.819 -1.630
251 HD2 HIS 35 HD2 HIS 35 -1.308 -2.889 -1.222
252 HE1 HIS 35 HE1 HIS 35 -4.677 -5.467 -1.246
253 H THR 36 H THR 36 2.570 -4.881 -1.429
254 HA THR 36 HA THR 36 4.153 -7.288 -1.851
255 HB THR 36 HB THR 36 4.020 -5.618 -3.661
256 HG1 THR 36 HG1 THR 36 6.232 -5.653 -4.092
257 HG21 THR 36 3HG2 THR 36 5.833 -3.761 -2.233
258 HG22 THR 36 1HG2 THR 36 4.130 -3.717 -1.778
259 HG23 THR 36 2HG2 THR 36 4.604 -3.429 -3.453
260 H GLY 37 H GLY 37 4.532 -7.720 0.414
261 HA2 GLY 37 1HA GLY 37 6.135 -5.807 1.904
262 HA3 GLY 37 2HA GLY 37 5.554 -7.360 2.486
263 H GLY 38 H GLY 38 6.546 -9.112 0.642
264 HA2 GLY 38 1HA GLY 38 8.997 -9.039 -0.403
265 HA3 GLY 38 2HA GLY 38 9.379 -9.040 1.313
266 H LYS 39 H LYS 39 6.713 -10.713 1.448
267 HA LYS 39 HA LYS 39 6.137 -12.913 1.555
268 HB2 LYS 39 1HB LYS 39 8.343 -13.550 -0.390
269 HB3 LYS 39 2HB LYS 39 6.812 -14.384 -0.159
270 HG2 LYS 39 1HG LYS 39 5.757 -12.156 -0.946
271 HG3 LYS 39 2HG LYS 39 7.369 -11.818 -1.583
272 HD2 LYS 39 1HD LYS 39 7.306 -13.778 -2.958
273 HD3 LYS 39 2HD LYS 39 5.808 -14.324 -2.201
274 HE2 LYS 39 1HE LYS 39 5.966 -11.689 -3.624
275 HE3 LYS 39 2HE LYS 39 5.679 -13.187 -4.508
276 HZ1 LYS 39 3HZ LYS 39 3.996 -12.847 -2.193
277 HZ2 LYS 39 1HZ LYS 39 3.589 -13.306 -3.770
278 HZ3 LYS 39 2HZ LYS 39 3.760 -11.668 -3.384
279 HA PRO 40 HA PRO 40 10.033 -13.481 4.168
280 HB2 PRO 40 1HB PRO 40 8.896 -12.911 6.566
281 HB3 PRO 40 2HB PRO 40 9.645 -11.681 5.542
282 HG2 PRO 40 1HG PRO 40 6.751 -12.379 5.856
283 HG3 PRO 40 2HG PRO 40 7.512 -10.781 5.764
284 HD2 PRO 40 1HD PRO 40 6.276 -11.929 3.647
285 HD3 PRO 40 2HD PRO 40 7.675 -10.851 3.466
286 H SER 41 H SER 41 7.081 -14.846 3.621
287 HA SER 41 HA SER 41 7.733 -17.153 5.322
288 HB2 SER 41 1HB SER 41 5.025 -15.856 4.976
289 HB3 SER 41 2HB SER 41 5.235 -17.486 5.616
290 HG SER 41 HG SER 41 6.687 -15.367 6.744
291 H GLY 42 H GLY 42 8.465 -18.498 3.758
292 HA2 GLY 42 1HA GLY 42 6.597 -19.793 2.073
293 HA3 GLY 42 2HA GLY 42 7.563 -18.670 1.127
294 HA PRO 43 HA PRO 43 9.723 -22.854 1.876
295 HB2 PRO 43 1HB PRO 43 9.306 -23.971 -0.563
296 HB3 PRO 43 2HB PRO 43 8.207 -24.205 0.802
297 HG2 PRO 43 1HG PRO 43 7.976 -22.324 -1.516
298 HG3 PRO 43 2HG PRO 43 6.727 -23.335 -0.767
299 HD2 PRO 43 1HD PRO 43 6.965 -20.689 -0.245
300 HD3 PRO 43 2HD PRO 43 6.386 -21.853 0.965
301 H SER 44 H SER 44 9.665 -20.341 -0.477
302 HA SER 44 HA SER 44 12.309 -21.075 -1.504
303 HB2 SER 44 1HB SER 44 10.293 -19.014 -2.416
304 HB3 SER 44 2HB SER 44 11.898 -19.190 -3.124
305 HG SER 44 HG SER 44 10.478 -20.393 -4.343
306 H SER 45 H SER 45 10.661 -18.123 -0.359
307 HA SER 45 HA SER 45 13.258 -17.194 0.676
308 HB2 SER 45 1HB SER 45 12.490 -15.683 -1.020
309 HB3 SER 45 2HB SER 45 10.869 -15.635 -0.326
310 HG SER 45 HG SER 45 12.211 -13.797 0.196
311 H GLY 46 H GLY 46 13.366 -16.288 2.737
312 HA2 GLY 46 1HA GLY 46 11.133 -17.062 4.489
313 HA3 GLY 46 2HA GLY 46 12.800 -16.841 4.999
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -39.218 2.794 -8.531
2 HA2 GLY 1 1HA GLY 1 -36.758 1.295 -7.952
3 HA3 GLY 1 2HA GLY 1 -36.876 2.167 -9.474
4 H SER 2 H SER 2 -34.822 2.932 -8.103
5 HA SER 2 HA SER 2 -35.426 5.635 -7.354
6 HB2 SER 2 1HB SER 2 -34.508 3.657 -5.266
7 HB3 SER 2 2HB SER 2 -34.268 5.396 -5.092
8 HG SER 2 HG SER 2 -36.593 3.894 -4.934
9 H SER 3 H SER 3 -33.847 6.830 -8.167
10 HA SER 3 HA SER 3 -31.101 5.791 -8.131
11 HB2 SER 3 1HB SER 3 -32.412 7.105 -10.524
12 HB3 SER 3 2HB SER 3 -30.730 6.583 -10.423
13 HG SER 3 HG SER 3 -33.069 4.995 -10.456
14 H GLY 4 H GLY 4 -29.475 7.347 -7.982
15 HA2 GLY 4 1HA GLY 4 -29.481 10.017 -8.339
16 HA3 GLY 4 2HA GLY 4 -30.339 9.852 -6.814
17 H SER 5 H SER 5 -28.271 11.285 -6.443
18 HA SER 5 HA SER 5 -26.000 9.564 -5.734
19 HB2 SER 5 1HB SER 5 -26.172 12.578 -5.970
20 HB3 SER 5 2HB SER 5 -24.719 11.676 -5.538
21 HG SER 5 HG SER 5 -25.006 12.286 -7.830
22 H SER 6 H SER 6 -24.776 10.555 -3.723
23 HA SER 6 HA SER 6 -26.740 11.133 -1.611
24 HB2 SER 6 1HB SER 6 -24.550 9.053 -1.570
25 HB3 SER 6 2HB SER 6 -25.330 9.646 -0.104
26 HG SER 6 HG SER 6 -27.354 9.001 -1.163
27 H GLY 7 H GLY 7 -25.732 12.017 0.379
28 HA2 GLY 7 1HA GLY 7 -23.918 14.126 -0.315
29 HA3 GLY 7 2HA GLY 7 -24.590 13.811 1.278
30 H THR 8 H THR 8 -22.248 12.416 -1.016
31 HA THR 8 HA THR 8 -20.398 12.050 1.236
32 HB THR 8 HB THR 8 -19.664 9.876 0.193
33 HG1 THR 8 HG1 THR 8 -21.583 8.951 -1.062
34 HG21 THR 8 3HG2 THR 8 -20.835 9.117 1.933
35 HG22 THR 8 1HG2 THR 8 -22.217 8.948 0.852
36 HG23 THR 8 2HG2 THR 8 -22.006 10.427 1.789
37 H GLY 9 H GLY 9 -18.136 11.548 0.428
38 HA2 GLY 9 1HA GLY 9 -17.618 12.855 -2.163
39 HA3 GLY 9 2HA GLY 9 -16.754 13.370 -0.722
40 H GLU 10 H GLU 10 -16.069 11.948 -3.387
41 HA GLU 10 HA GLU 10 -14.582 9.699 -2.204
42 HB2 GLU 10 1HB GLU 10 -15.595 10.187 -4.997
43 HB3 GLU 10 2HB GLU 10 -14.351 8.991 -4.661
44 HG2 GLU 10 1HG GLU 10 -16.221 7.688 -4.597
45 HG3 GLU 10 2HG GLU 10 -16.075 8.129 -2.897
46 H LYS 11 H LYS 11 -12.411 9.315 -3.000
47 HA LYS 11 HA LYS 11 -11.051 11.828 -3.712
48 HB2 LYS 11 1HB LYS 11 -10.187 9.477 -2.045
49 HB3 LYS 11 2HB LYS 11 -9.014 10.600 -2.719
50 HG2 LYS 11 1HG LYS 11 -9.427 11.321 -0.519
51 HG3 LYS 11 2HG LYS 11 -10.295 12.443 -1.570
52 HD2 LYS 11 1HD LYS 11 -12.374 11.532 -1.024
53 HD3 LYS 11 2HD LYS 11 -11.662 10.036 -0.415
54 HE2 LYS 11 1HE LYS 11 -11.221 12.714 0.886
55 HE3 LYS 11 2HE LYS 11 -12.550 11.642 1.326
56 HZ1 LYS 11 3HZ LYS 11 -9.930 10.409 1.285
57 HZ2 LYS 11 1HZ LYS 11 -11.184 10.254 2.411
58 HZ3 LYS 11 2HZ LYS 11 -10.145 11.587 2.480
59 HA PRO 12 HA PRO 12 -9.677 10.061 -7.494
60 HB2 PRO 12 1HB PRO 12 -7.352 11.419 -7.840
61 HB3 PRO 12 2HB PRO 12 -8.941 12.165 -8.051
62 HG2 PRO 12 1HG PRO 12 -7.090 12.283 -5.701
63 HG3 PRO 12 2HG PRO 12 -8.037 13.584 -6.446
64 HD2 PRO 12 1HD PRO 12 -8.823 12.322 -4.183
65 HD3 PRO 12 2HD PRO 12 -9.978 12.957 -5.373
66 H TYR 13 H TYR 13 -7.837 9.801 -4.598
67 HA TYR 13 HA TYR 13 -5.932 7.942 -5.812
68 HB2 TYR 13 1HB TYR 13 -6.054 9.121 -3.029
69 HB3 TYR 13 2HB TYR 13 -4.805 8.019 -3.598
70 HD1 TYR 13 HD1 TYR 13 -3.273 8.760 -5.443
71 HD2 TYR 13 HD2 TYR 13 -5.951 11.437 -3.503
72 HE1 TYR 13 HE1 TYR 13 -1.971 10.667 -6.291
73 HE2 TYR 13 HE2 TYR 13 -4.657 13.351 -4.346
74 HH TYR 13 HH TYR 13 -1.579 12.961 -5.869
75 H LYS 14 H LYS 14 -6.832 5.985 -6.072
76 HA LYS 14 HA LYS 14 -7.940 4.684 -3.680
77 HB2 LYS 14 1HB LYS 14 -9.888 5.155 -4.927
78 HB3 LYS 14 2HB LYS 14 -9.110 4.753 -6.452
79 HG2 LYS 14 1HG LYS 14 -9.188 2.438 -5.994
80 HG3 LYS 14 2HG LYS 14 -9.616 2.715 -4.304
81 HD2 LYS 14 1HD LYS 14 -11.792 3.428 -4.866
82 HD3 LYS 14 2HD LYS 14 -11.374 3.620 -6.570
83 HE2 LYS 14 1HE LYS 14 -10.895 1.082 -6.495
84 HE3 LYS 14 2HE LYS 14 -11.843 1.105 -5.008
85 HZ1 LYS 14 3HZ LYS 14 -13.589 0.871 -6.350
86 HZ2 LYS 14 1HZ LYS 14 -12.717 1.295 -7.736
87 HZ3 LYS 14 2HZ LYS 14 -13.379 2.501 -6.751
88 H CYS 15 H CYS 15 -7.103 2.734 -3.261
89 HA CYS 15 HA CYS 15 -4.929 1.744 -4.788
90 HB2 CYS 15 1HB CYS 15 -5.134 1.431 -2.342
91 HB3 CYS 15 2HB CYS 15 -6.503 0.356 -2.608
92 H ASN 16 H ASN 16 -4.933 0.481 -6.520
93 HA ASN 16 HA ASN 16 -7.427 -0.712 -7.414
94 HB2 ASN 16 1HB ASN 16 -5.668 0.579 -8.858
95 HB3 ASN 16 2HB ASN 16 -4.827 -0.968 -8.889
96 HD21 ASN 16 1HD2 ASN 16 -7.323 0.903 -10.200
97 HD22 ASN 16 2HD2 ASN 16 -8.009 -0.299 -11.234
98 H GLU 17 H GLU 17 -5.576 -1.723 -5.154
99 HA GLU 17 HA GLU 17 -5.108 -4.439 -6.163
100 HB2 GLU 17 1HB GLU 17 -4.233 -3.339 -3.496
101 HB3 GLU 17 2HB GLU 17 -3.634 -4.769 -4.324
102 HG2 GLU 17 1HG GLU 17 -3.214 -1.905 -5.142
103 HG3 GLU 17 2HG GLU 17 -2.010 -3.006 -4.473
104 H CYS 18 H CYS 18 -6.304 -2.904 -3.170
105 HA CYS 18 HA CYS 18 -8.038 -5.236 -2.752
106 HB2 CYS 18 1HB CYS 18 -8.242 -4.391 -0.421
107 HB3 CYS 18 2HB CYS 18 -6.583 -4.764 -0.879
108 H GLY 19 H GLY 19 -8.092 -1.680 -2.647
109 HA2 GLY 19 1HA GLY 19 -10.058 -0.768 -3.962
110 HA3 GLY 19 2HA GLY 19 -11.028 -1.810 -2.931
111 H LYS 20 H LYS 20 -8.231 -0.060 -1.768
112 HA LYS 20 HA LYS 20 -9.952 1.371 0.100
113 HB2 LYS 20 1HB LYS 20 -7.067 0.655 -0.010
114 HB3 LYS 20 2HB LYS 20 -7.501 2.117 0.865
115 HG2 LYS 20 1HG LYS 20 -9.106 0.761 2.201
116 HG3 LYS 20 2HG LYS 20 -8.474 -0.680 1.401
117 HD2 LYS 20 1HD LYS 20 -6.393 -0.484 2.420
118 HD3 LYS 20 2HD LYS 20 -6.624 1.228 2.783
119 HE2 LYS 20 1HE LYS 20 -6.935 0.297 4.859
120 HE3 LYS 20 2HE LYS 20 -8.593 0.333 4.261
121 HZ1 LYS 20 3HZ LYS 20 -6.761 -1.998 4.347
122 HZ2 LYS 20 1HZ LYS 20 -8.234 -2.003 3.514
123 HZ3 LYS 20 2HZ LYS 20 -8.212 -1.796 5.192
124 H VAL 21 H VAL 21 -9.194 3.676 0.637
125 HA VAL 21 HA VAL 21 -8.345 5.142 -1.753
126 HB VAL 21 HB VAL 21 -10.731 6.057 -0.159
127 HG11 VAL 21 1HG1 VAL 21 -9.418 7.720 -1.467
128 HG12 VAL 21 2HG1 VAL 21 -9.807 6.809 -2.928
129 HG13 VAL 21 3HG1 VAL 21 -11.096 7.562 -1.989
130 HG21 VAL 21 3HG2 VAL 21 -10.587 4.179 -2.471
131 HG22 VAL 21 1HG2 VAL 21 -11.651 4.157 -1.065
132 HG23 VAL 21 2HG2 VAL 21 -11.935 5.312 -2.368
133 H PHE 22 H PHE 22 -7.529 7.249 -1.332
134 HA PHE 22 HA PHE 22 -7.142 7.983 1.470
135 HB2 PHE 22 1HB PHE 22 -4.833 7.787 -0.472
136 HB3 PHE 22 2HB PHE 22 -4.748 8.251 1.224
137 HD1 PHE 22 HD1 PHE 22 -4.944 6.592 2.980
138 HD2 PHE 22 HD2 PHE 22 -5.090 5.484 -1.127
139 HE1 PHE 22 HE1 PHE 22 -4.580 4.240 3.605
140 HE2 PHE 22 HE2 PHE 22 -4.726 3.130 -0.508
141 HZ PHE 22 HZ PHE 22 -4.471 2.506 1.860
142 H THR 23 H THR 23 -6.251 10.186 1.710
143 HA THR 23 HA THR 23 -7.547 11.973 -0.134
144 HB THR 23 HB THR 23 -7.601 12.456 2.262
145 HG1 THR 23 HG1 THR 23 -7.509 14.186 0.605
146 HG21 THR 23 3HG2 THR 23 -5.700 12.949 3.554
147 HG22 THR 23 1HG2 THR 23 -4.666 13.099 2.134
148 HG23 THR 23 2HG2 THR 23 -5.250 11.512 2.636
149 H GLN 24 H GLN 24 -4.218 11.175 0.743
150 HA GLN 24 HA GLN 24 -3.299 12.817 -1.524
151 HB2 GLN 24 1HB GLN 24 -1.949 12.125 1.081
152 HB3 GLN 24 2HB GLN 24 -1.061 12.756 -0.300
153 HG2 GLN 24 1HG GLN 24 -3.430 14.194 0.838
154 HG3 GLN 24 2HG GLN 24 -1.808 14.402 1.496
155 HE21 GLN 24 1HE2 GLN 24 -0.296 15.541 0.351
156 HE22 GLN 24 2HE2 GLN 24 -0.670 16.446 -1.072
157 H ASN 25 H ASN 25 -1.164 11.992 -2.447
158 HA ASN 25 HA ASN 25 -1.568 9.259 -3.251
159 HB2 ASN 25 1HB ASN 25 -0.725 11.258 -4.687
160 HB3 ASN 25 2HB ASN 25 0.846 10.893 -3.980
161 HD21 ASN 25 1HD2 ASN 25 2.061 9.614 -5.150
162 HD22 ASN 25 2HD2 ASN 25 1.509 8.401 -6.250
163 H SER 26 H SER 26 0.963 11.053 -1.520
164 HA SER 26 HA SER 26 2.859 9.153 -1.118
165 HB2 SER 26 1HB SER 26 2.829 11.530 -0.221
166 HB3 SER 26 2HB SER 26 1.885 10.914 1.135
167 HG SER 26 HG SER 26 3.820 9.291 1.100
168 H HIS 27 H HIS 27 0.135 9.669 1.131
169 HA HIS 27 HA HIS 27 0.534 7.528 2.802
170 HB2 HIS 27 1HB HIS 27 -2.178 8.470 1.855
171 HB3 HIS 27 2HB HIS 27 -1.809 7.663 3.376
172 HD1 HIS 27 HD1 HIS 27 -3.125 10.555 3.008
173 HD2 HIS 27 HD2 HIS 27 0.818 9.727 4.022
174 HE1 HIS 27 HE1 HIS 27 -2.292 12.607 4.200
175 H LEU 28 H LEU 28 -1.244 7.555 -0.268
176 HA LEU 28 HA LEU 28 -2.103 4.887 -0.208
177 HB2 LEU 28 1HB LEU 28 -3.116 6.342 -1.762
178 HB3 LEU 28 2HB LEU 28 -1.563 6.804 -2.456
179 HG LEU 28 HG LEU 28 -1.354 4.526 -3.403
180 HD11 LEU 28 1HD1 LEU 28 -3.080 3.681 -1.592
181 HD12 LEU 28 2HD1 LEU 28 -2.919 2.887 -3.158
182 HD13 LEU 28 3HD1 LEU 28 -4.235 4.026 -2.880
183 HD21 LEU 28 3HD2 LEU 28 -2.204 6.284 -4.805
184 HD22 LEU 28 1HD2 LEU 28 -3.826 6.089 -4.139
185 HD23 LEU 28 2HD2 LEU 28 -3.118 4.810 -5.126
186 H ALA 29 H ALA 29 0.739 6.330 -1.798
187 HA ALA 29 HA ALA 29 1.852 4.103 -2.944
188 HB1 ALA 29 3HB ALA 29 2.671 6.705 -2.462
189 HB2 ALA 29 1HB ALA 29 3.898 5.712 -1.674
190 HB3 ALA 29 2HB ALA 29 3.543 5.482 -3.386
191 H ARG 30 H ARG 30 2.177 5.175 0.421
192 HA ARG 30 HA ARG 30 3.976 3.146 1.216
193 HB2 ARG 30 1HB ARG 30 2.037 4.840 2.793
194 HB3 ARG 30 2HB ARG 30 3.181 3.732 3.538
195 HG2 ARG 30 1HG ARG 30 5.039 4.977 2.625
196 HG3 ARG 30 2HG ARG 30 3.929 6.046 1.764
197 HD2 ARG 30 1HD ARG 30 4.360 7.321 3.613
198 HD3 ARG 30 2HD ARG 30 2.950 6.424 4.176
199 HE ARG 30 HE ARG 30 5.677 6.154 5.105
200 HH11 ARG 30 1HH1 ARG 30 2.488 4.764 4.977
201 HH12 ARG 30 2HH1 ARG 30 2.726 3.764 6.372
202 HH21 ARG 30 1HH2 ARG 30 6.003 4.842 6.943
203 HH22 ARG 30 2HH2 ARG 30 4.725 3.810 7.489
204 H HIS 31 H HIS 31 0.448 3.442 1.612
205 HA HIS 31 HA HIS 31 -0.089 1.101 2.941
206 HB2 HIS 31 1HB HIS 31 -1.920 2.525 2.609
207 HB3 HIS 31 2HB HIS 31 -1.642 2.632 0.874
208 HD1 HIS 31 HD1 HIS 31 -2.891 0.169 3.465
209 HD2 HIS 31 HD2 HIS 31 -3.078 0.860 -0.628
210 HE1 HIS 31 HE1 HIS 31 -4.553 -1.497 2.577
211 H ARG 32 H ARG 32 0.128 1.534 -0.586
212 HA ARG 32 HA ARG 32 -0.485 -0.924 -1.527
213 HB2 ARG 32 1HB ARG 32 1.845 0.803 -2.377
214 HB3 ARG 32 2HB ARG 32 1.238 -0.564 -3.302
215 HG2 ARG 32 1HG ARG 32 -0.969 0.583 -3.420
216 HG3 ARG 32 2HG ARG 32 -0.220 1.986 -2.655
217 HD2 ARG 32 1HD ARG 32 -0.153 2.438 -4.959
218 HD3 ARG 32 2HD ARG 32 1.479 1.912 -4.546
219 HE ARG 32 HE ARG 32 0.366 -0.381 -5.342
220 HH11 ARG 32 1HH1 ARG 32 0.340 2.797 -6.764
221 HH12 ARG 32 2HH1 ARG 32 0.225 2.210 -8.390
222 HH21 ARG 32 1HH2 ARG 32 0.216 -1.165 -7.479
223 HH22 ARG 32 2HH2 ARG 32 0.154 -0.043 -8.795
224 H ARG 33 H ARG 33 2.533 -0.017 0.062
225 HA ARG 33 HA ARG 33 4.146 -2.158 -0.378
226 HB2 ARG 33 1HB ARG 33 3.672 -0.690 2.219
227 HB3 ARG 33 2HB ARG 33 4.988 -1.830 1.974
228 HG2 ARG 33 1HG ARG 33 5.575 -0.321 -0.054
229 HG3 ARG 33 2HG ARG 33 4.584 0.875 0.784
230 HD2 ARG 33 1HD ARG 33 5.984 0.633 2.777
231 HD3 ARG 33 2HD ARG 33 6.970 -0.564 1.939
232 HE ARG 33 HE ARG 33 7.028 1.673 0.348
233 HH11 ARG 33 1HH1 ARG 33 7.884 0.906 3.634
234 HH12 ARG 33 2HH1 ARG 33 9.148 2.087 3.718
235 HH21 ARG 33 1HH2 ARG 33 8.691 3.231 0.446
236 HH22 ARG 33 2HH2 ARG 33 9.606 3.410 1.904
237 H VAL 34 H VAL 34 1.449 -2.011 1.912
238 HA VAL 34 HA VAL 34 1.692 -4.336 3.298
239 HB VAL 34 HB VAL 34 -0.732 -4.452 3.456
240 HG11 VAL 34 1HG1 VAL 34 -0.944 -1.715 3.671
241 HG12 VAL 34 2HG1 VAL 34 -0.339 -2.809 4.917
242 HG13 VAL 34 3HG1 VAL 34 0.789 -1.999 3.829
243 HG21 VAL 34 3HG2 VAL 34 -1.733 -4.135 1.443
244 HG22 VAL 34 1HG2 VAL 34 -1.883 -2.488 2.056
245 HG23 VAL 34 2HG2 VAL 34 -0.581 -2.899 0.940
246 H HIS 35 H HIS 35 0.637 -3.983 -0.046
247 HA HIS 35 HA HIS 35 -0.031 -6.757 -0.358
248 HB2 HIS 35 1HB HIS 35 0.393 -4.570 -2.404
249 HB3 HIS 35 2HB HIS 35 -0.216 -6.181 -2.772
250 HD1 HIS 35 HD1 HIS 35 -2.583 -6.787 -1.665
251 HD2 HIS 35 HD2 HIS 35 -1.503 -2.776 -1.592
252 HE1 HIS 35 HE1 HIS 35 -4.707 -5.528 -1.191
253 H THR 36 H THR 36 2.481 -4.752 -1.912
254 HA THR 36 HA THR 36 3.967 -6.725 -3.087
255 HB THR 36 HB THR 36 5.931 -5.245 -2.901
256 HG1 THR 36 HG1 THR 36 5.446 -3.163 -1.784
257 HG21 THR 36 3HG2 THR 36 3.281 -4.342 -3.818
258 HG22 THR 36 1HG2 THR 36 4.807 -4.449 -4.693
259 HG23 THR 36 2HG2 THR 36 4.491 -3.073 -3.637
260 H GLY 37 H GLY 37 5.634 -8.087 -2.501
261 HA2 GLY 37 1HA GLY 37 7.086 -9.234 -1.107
262 HA3 GLY 37 2HA GLY 37 6.717 -8.081 0.167
263 H GLY 38 H GLY 38 4.695 -10.359 -1.687
264 HA2 GLY 38 1HA GLY 38 4.184 -11.884 0.746
265 HA3 GLY 38 2HA GLY 38 2.805 -11.053 0.042
266 H LYS 39 H LYS 39 2.077 -13.385 0.019
267 HA LYS 39 HA LYS 39 2.717 -14.512 -2.612
268 HB2 LYS 39 1HB LYS 39 3.861 -15.690 -0.587
269 HB3 LYS 39 2HB LYS 39 2.256 -16.335 -0.274
270 HG2 LYS 39 1HG LYS 39 2.206 -17.402 -2.427
271 HG3 LYS 39 2HG LYS 39 3.738 -16.647 -2.876
272 HD2 LYS 39 1HD LYS 39 4.666 -17.839 -0.775
273 HD3 LYS 39 2HD LYS 39 3.215 -18.836 -0.896
274 HE2 LYS 39 1HE LYS 39 3.836 -19.671 -3.002
275 HE3 LYS 39 2HE LYS 39 5.045 -18.410 -3.239
276 HZ1 LYS 39 3HZ LYS 39 5.414 -20.162 -0.941
277 HZ2 LYS 39 1HZ LYS 39 6.561 -19.502 -1.995
278 HZ3 LYS 39 2HZ LYS 39 5.662 -20.856 -2.464
279 HA PRO 40 HA PRO 40 -1.673 -14.596 -3.013
280 HB2 PRO 40 1HB PRO 40 -1.850 -16.321 -5.102
281 HB3 PRO 40 2HB PRO 40 -1.308 -14.648 -5.281
282 HG2 PRO 40 1HG PRO 40 0.316 -17.156 -5.094
283 HG3 PRO 40 2HG PRO 40 0.524 -15.766 -6.176
284 HD2 PRO 40 1HD PRO 40 2.019 -16.113 -3.944
285 HD3 PRO 40 2HD PRO 40 1.579 -14.507 -4.559
286 H SER 41 H SER 41 0.075 -17.688 -3.022
287 HA SER 41 HA SER 41 -2.104 -19.366 -2.517
288 HB2 SER 41 1HB SER 41 -0.472 -21.022 -1.815
289 HB3 SER 41 2HB SER 41 0.162 -20.141 -3.206
290 HG SER 41 HG SER 41 0.781 -19.135 -0.688
291 H GLY 42 H GLY 42 -3.316 -19.734 -0.772
292 HA2 GLY 42 1HA GLY 42 -2.276 -18.919 1.862
293 HA3 GLY 42 2HA GLY 42 -3.863 -18.374 1.337
294 HA PRO 43 HA PRO 43 -3.810 -22.787 3.266
295 HB2 PRO 43 1HB PRO 43 -4.157 -22.212 5.897
296 HB3 PRO 43 2HB PRO 43 -2.564 -22.431 5.163
297 HG2 PRO 43 1HG PRO 43 -4.022 -19.896 5.804
298 HG3 PRO 43 2HG PRO 43 -2.312 -20.296 6.050
299 HD2 PRO 43 1HD PRO 43 -3.173 -18.799 3.965
300 HD3 PRO 43 2HD PRO 43 -1.768 -19.878 3.850
301 H SER 44 H SER 44 -5.687 -20.060 2.993
302 HA SER 44 HA SER 44 -8.100 -21.534 3.817
303 HB2 SER 44 1HB SER 44 -9.124 -19.336 4.399
304 HB3 SER 44 2HB SER 44 -7.742 -19.744 5.416
305 HG SER 44 HG SER 44 -6.616 -18.157 4.552
306 H SER 45 H SER 45 -8.643 -22.260 1.796
307 HA SER 45 HA SER 45 -8.479 -20.861 -0.600
308 HB2 SER 45 1HB SER 45 -10.280 -22.449 -1.390
309 HB3 SER 45 2HB SER 45 -8.880 -23.224 -0.649
310 HG SER 45 HG SER 45 -10.524 -24.176 0.368
311 H GLY 46 H GLY 46 -11.269 -21.181 1.593
312 HA2 GLY 46 1HA GLY 46 -12.523 -19.099 2.040
313 HA3 GLY 46 2HA GLY 46 -12.391 -18.760 0.321
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -12.108 8.392 10.699
2 HA2 GLY 1 1HA GLY 1 -13.520 6.863 9.689
3 HA3 GLY 1 2HA GLY 1 -12.242 5.662 9.807
4 H SER 2 H SER 2 -15.288 6.232 10.714
5 HA SER 2 HA SER 2 -15.166 4.293 12.848
6 HB2 SER 2 1HB SER 2 -16.378 5.714 14.480
7 HB3 SER 2 2HB SER 2 -14.768 6.337 14.118
8 HG SER 2 HG SER 2 -15.638 7.962 12.964
9 H SER 3 H SER 3 -17.504 3.989 13.757
10 HA SER 3 HA SER 3 -19.152 3.332 11.534
11 HB2 SER 3 1HB SER 3 -19.898 3.351 14.467
12 HB3 SER 3 2HB SER 3 -20.718 2.471 13.178
13 HG SER 3 HG SER 3 -18.897 1.186 12.938
14 H GLY 4 H GLY 4 -20.223 4.813 10.400
15 HA2 GLY 4 1HA GLY 4 -22.402 6.201 11.091
16 HA3 GLY 4 2HA GLY 4 -21.130 7.271 11.660
17 H SER 5 H SER 5 -19.254 7.235 9.773
18 HA SER 5 HA SER 5 -20.631 7.857 7.249
19 HB2 SER 5 1HB SER 5 -19.210 9.846 6.977
20 HB3 SER 5 2HB SER 5 -20.186 9.963 8.441
21 HG SER 5 HG SER 5 -17.695 8.796 8.744
22 H SER 6 H SER 6 -19.903 5.867 6.418
23 HA SER 6 HA SER 6 -17.133 5.159 6.405
24 HB2 SER 6 1HB SER 6 -19.423 4.101 4.729
25 HB3 SER 6 2HB SER 6 -17.827 3.362 4.863
26 HG SER 6 HG SER 6 -19.703 2.647 6.301
27 H GLY 7 H GLY 7 -19.341 6.019 3.729
28 HA2 GLY 7 1HA GLY 7 -17.015 6.777 2.119
29 HA3 GLY 7 2HA GLY 7 -18.655 6.550 1.528
30 H THR 8 H THR 8 -16.374 8.768 2.871
31 HA THR 8 HA THR 8 -18.378 10.923 2.779
32 HB THR 8 HB THR 8 -16.709 12.247 4.102
33 HG1 THR 8 HG1 THR 8 -14.964 11.153 4.998
34 HG21 THR 8 3HG2 THR 8 -17.047 10.005 5.899
35 HG22 THR 8 1HG2 THR 8 -18.506 10.291 4.951
36 HG23 THR 8 2HG2 THR 8 -17.818 11.591 5.926
37 H GLY 9 H GLY 9 -17.311 9.956 0.368
38 HA2 GLY 9 1HA GLY 9 -16.891 11.695 -1.395
39 HA3 GLY 9 2HA GLY 9 -15.505 12.159 -0.419
40 H GLU 10 H GLU 10 -15.937 10.986 -3.225
41 HA GLU 10 HA GLU 10 -14.311 8.565 -2.996
42 HB2 GLU 10 1HB GLU 10 -15.816 9.791 -5.307
43 HB3 GLU 10 2HB GLU 10 -14.762 8.394 -5.479
44 HG2 GLU 10 1HG GLU 10 -16.239 7.402 -3.575
45 HG3 GLU 10 2HG GLU 10 -17.394 8.624 -4.103
46 H LYS 11 H LYS 11 -12.420 9.791 -2.330
47 HA LYS 11 HA LYS 11 -11.186 11.801 -3.793
48 HB2 LYS 11 1HB LYS 11 -9.878 9.595 -2.190
49 HB3 LYS 11 2HB LYS 11 -9.091 11.082 -2.701
50 HG2 LYS 11 1HG LYS 11 -11.552 11.081 -0.983
51 HG3 LYS 11 2HG LYS 11 -9.923 10.982 -0.311
52 HD2 LYS 11 1HD LYS 11 -9.374 13.123 -0.982
53 HD3 LYS 11 2HD LYS 11 -10.585 13.142 -2.267
54 HE2 LYS 11 1HE LYS 11 -11.439 14.580 -0.627
55 HE3 LYS 11 2HE LYS 11 -12.319 13.071 -0.396
56 HZ1 LYS 11 3HZ LYS 11 -11.485 14.134 1.682
57 HZ2 LYS 11 1HZ LYS 11 -9.908 13.807 1.166
58 HZ3 LYS 11 2HZ LYS 11 -10.979 12.534 1.467
59 HA PRO 12 HA PRO 12 -9.664 9.956 -7.475
60 HB2 PRO 12 1HB PRO 12 -7.376 11.368 -7.852
61 HB3 PRO 12 2HB PRO 12 -8.983 12.060 -8.101
62 HG2 PRO 12 1HG PRO 12 -7.157 12.313 -5.742
63 HG3 PRO 12 2HG PRO 12 -8.134 13.560 -6.540
64 HD2 PRO 12 1HD PRO 12 -8.904 12.355 -4.240
65 HD3 PRO 12 2HD PRO 12 -10.066 12.914 -5.460
66 H TYR 13 H TYR 13 -7.686 9.996 -4.613
67 HA TYR 13 HA TYR 13 -5.789 8.086 -5.735
68 HB2 TYR 13 1HB TYR 13 -5.877 9.257 -2.948
69 HB3 TYR 13 2HB TYR 13 -4.541 8.374 -3.677
70 HD1 TYR 13 HD1 TYR 13 -3.199 9.418 -5.472
71 HD2 TYR 13 HD2 TYR 13 -6.228 11.579 -3.408
72 HE1 TYR 13 HE1 TYR 13 -2.251 11.530 -6.304
73 HE2 TYR 13 HE2 TYR 13 -5.290 13.696 -4.235
74 HH TYR 13 HH TYR 13 -3.830 14.364 -6.343
75 H LYS 14 H LYS 14 -6.258 6.001 -5.692
76 HA LYS 14 HA LYS 14 -7.331 4.803 -3.272
77 HB2 LYS 14 1HB LYS 14 -9.333 5.382 -4.595
78 HB3 LYS 14 2HB LYS 14 -8.699 4.452 -5.946
79 HG2 LYS 14 1HG LYS 14 -8.669 2.479 -4.291
80 HG3 LYS 14 2HG LYS 14 -9.752 3.480 -3.321
81 HD2 LYS 14 1HD LYS 14 -11.303 2.361 -4.561
82 HD3 LYS 14 2HD LYS 14 -11.003 3.719 -5.648
83 HE2 LYS 14 1HE LYS 14 -9.476 1.136 -5.835
84 HE3 LYS 14 2HE LYS 14 -11.005 1.389 -6.675
85 HZ1 LYS 14 3HZ LYS 14 -8.408 2.699 -7.122
86 HZ2 LYS 14 1HZ LYS 14 -9.836 3.500 -7.552
87 HZ3 LYS 14 2HZ LYS 14 -9.463 2.004 -8.247
88 H CYS 15 H CYS 15 -6.931 2.571 -3.102
89 HA CYS 15 HA CYS 15 -4.677 1.674 -4.672
90 HB2 CYS 15 1HB CYS 15 -4.770 1.325 -2.221
91 HB3 CYS 15 2HB CYS 15 -6.161 0.269 -2.441
92 H ASN 16 H ASN 16 -4.776 0.414 -6.405
93 HA ASN 16 HA ASN 16 -7.332 -0.685 -7.228
94 HB2 ASN 16 1HB ASN 16 -4.640 -0.491 -8.581
95 HB3 ASN 16 2HB ASN 16 -6.012 -1.327 -9.303
96 HD21 ASN 16 1HD2 ASN 16 -7.105 -0.161 -10.691
97 HD22 ASN 16 2HD2 ASN 16 -7.294 1.556 -10.662
98 H GLU 17 H GLU 17 -5.505 -1.779 -5.001
99 HA GLU 17 HA GLU 17 -5.219 -4.523 -6.016
100 HB2 GLU 17 1HB GLU 17 -4.101 -3.436 -3.435
101 HB3 GLU 17 2HB GLU 17 -3.659 -4.926 -4.257
102 HG2 GLU 17 1HG GLU 17 -3.101 -2.122 -5.194
103 HG3 GLU 17 2HG GLU 17 -1.933 -3.279 -4.558
104 H CYS 18 H CYS 18 -6.132 -2.878 -2.982
105 HA CYS 18 HA CYS 18 -7.937 -5.113 -2.387
106 HB2 CYS 18 1HB CYS 18 -7.999 -4.129 -0.089
107 HB3 CYS 18 2HB CYS 18 -6.392 -4.631 -0.603
108 H GLY 19 H GLY 19 -7.878 -1.551 -2.370
109 HA2 GLY 19 1HA GLY 19 -9.827 -0.554 -3.610
110 HA3 GLY 19 2HA GLY 19 -10.822 -1.611 -2.620
111 H LYS 20 H LYS 20 -7.993 0.132 -1.475
112 HA LYS 20 HA LYS 20 -9.721 1.551 0.421
113 HB2 LYS 20 1HB LYS 20 -6.771 0.932 0.403
114 HB3 LYS 20 2HB LYS 20 -7.483 2.070 1.539
115 HG2 LYS 20 1HG LYS 20 -9.027 0.206 2.250
116 HG3 LYS 20 2HG LYS 20 -8.010 -0.878 1.298
117 HD2 LYS 20 1HD LYS 20 -6.147 -0.519 2.676
118 HD3 LYS 20 2HD LYS 20 -6.849 0.932 3.394
119 HE2 LYS 20 1HE LYS 20 -8.203 -1.712 3.729
120 HE3 LYS 20 2HE LYS 20 -6.817 -1.299 4.737
121 HZ1 LYS 20 3HZ LYS 20 -8.755 -0.645 5.898
122 HZ2 LYS 20 1HZ LYS 20 -9.401 0.142 4.547
123 HZ3 LYS 20 2HZ LYS 20 -8.043 0.779 5.327
124 H VAL 21 H VAL 21 -9.984 3.702 0.376
125 HA VAL 21 HA VAL 21 -8.623 5.191 -1.746
126 HB VAL 21 HB VAL 21 -10.947 6.120 -0.060
127 HG11 VAL 21 1HG1 VAL 21 -11.296 7.725 -1.844
128 HG12 VAL 21 2HG1 VAL 21 -9.656 7.871 -1.210
129 HG13 VAL 21 3HG1 VAL 21 -9.939 7.051 -2.746
130 HG21 VAL 21 3HG2 VAL 21 -12.431 5.395 -1.793
131 HG22 VAL 21 1HG2 VAL 21 -11.080 4.881 -2.804
132 HG23 VAL 21 2HG2 VAL 21 -11.444 4.015 -1.311
133 H PHE 22 H PHE 22 -7.789 7.321 -1.337
134 HA PHE 22 HA PHE 22 -7.233 7.997 1.447
135 HB2 PHE 22 1HB PHE 22 -5.002 7.836 -0.583
136 HB3 PHE 22 2HB PHE 22 -4.861 8.159 1.142
137 HD1 PHE 22 HD1 PHE 22 -5.048 6.369 2.763
138 HD2 PHE 22 HD2 PHE 22 -5.340 5.599 -1.413
139 HE1 PHE 22 HE1 PHE 22 -4.727 3.967 3.187
140 HE2 PHE 22 HE2 PHE 22 -5.020 3.196 -0.996
141 HZ PHE 22 HZ PHE 22 -4.714 2.376 1.307
142 H THR 23 H THR 23 -6.363 10.178 1.699
143 HA THR 23 HA THR 23 -7.557 11.979 -0.243
144 HB THR 23 HB THR 23 -7.987 12.403 2.122
145 HG1 THR 23 HG1 THR 23 -6.532 14.267 0.596
146 HG21 THR 23 3HG2 THR 23 -5.334 13.420 2.778
147 HG22 THR 23 1HG2 THR 23 -5.355 11.678 2.509
148 HG23 THR 23 2HG2 THR 23 -6.416 12.396 3.721
149 H GLN 24 H GLN 24 -4.461 10.765 0.565
150 HA GLN 24 HA GLN 24 -3.244 12.628 -1.343
151 HB2 GLN 24 1HB GLN 24 -2.044 11.887 1.331
152 HB3 GLN 24 2HB GLN 24 -1.247 12.837 0.084
153 HG2 GLN 24 1HG GLN 24 -3.763 13.621 1.537
154 HG3 GLN 24 2HG GLN 24 -2.145 14.230 1.878
155 HE21 GLN 24 1HE2 GLN 24 -1.023 15.104 -0.163
156 HE22 GLN 24 2HE2 GLN 24 -1.981 16.156 -1.143
157 H ASN 25 H ASN 25 -1.627 11.770 -2.610
158 HA ASN 25 HA ASN 25 -1.674 9.024 -3.119
159 HB2 ASN 25 1HB ASN 25 -0.905 10.930 -4.652
160 HB3 ASN 25 2HB ASN 25 0.649 10.808 -3.832
161 HD21 ASN 25 1HD2 ASN 25 1.641 10.216 -5.777
162 HD22 ASN 25 2HD2 ASN 25 1.469 8.628 -6.433
163 H SER 26 H SER 26 0.863 10.962 -1.535
164 HA SER 26 HA SER 26 2.787 9.203 -0.965
165 HB2 SER 26 1HB SER 26 1.527 11.165 0.959
166 HB3 SER 26 2HB SER 26 3.031 10.309 1.297
167 HG SER 26 HG SER 26 4.052 11.484 -0.166
168 H HIS 27 H HIS 27 -0.203 9.447 0.953
169 HA HIS 27 HA HIS 27 0.361 7.305 2.683
170 HB2 HIS 27 1HB HIS 27 -2.338 8.352 1.802
171 HB3 HIS 27 2HB HIS 27 -2.037 7.339 3.212
172 HD1 HIS 27 HD1 HIS 27 -3.332 10.155 3.430
173 HD2 HIS 27 HD2 HIS 27 0.712 9.355 3.953
174 HE1 HIS 27 HE1 HIS 27 -2.451 12.040 4.842
175 H LEU 28 H LEU 28 -1.300 7.438 -0.432
176 HA LEU 28 HA LEU 28 -2.199 4.765 -0.460
177 HB2 LEU 28 1HB LEU 28 -3.221 6.201 -1.988
178 HB3 LEU 28 2HB LEU 28 -1.679 6.811 -2.585
179 HG LEU 28 HG LEU 28 -1.280 4.690 -3.732
180 HD11 LEU 28 1HD1 LEU 28 -3.373 3.782 -2.018
181 HD12 LEU 28 2HD1 LEU 28 -2.325 2.848 -3.084
182 HD13 LEU 28 3HD1 LEU 28 -3.839 3.513 -3.697
183 HD21 LEU 28 3HD2 LEU 28 -2.645 6.635 -4.711
184 HD22 LEU 28 1HD2 LEU 28 -4.043 5.585 -4.476
185 HD23 LEU 28 2HD2 LEU 28 -2.721 5.071 -5.524
186 H ALA 29 H ALA 29 0.667 6.275 -1.939
187 HA ALA 29 HA ALA 29 1.783 4.031 -3.112
188 HB1 ALA 29 3HB ALA 29 3.584 6.007 -1.799
189 HB2 ALA 29 1HB ALA 29 3.691 5.269 -3.397
190 HB3 ALA 29 2HB ALA 29 2.517 6.550 -3.093
191 H ARG 30 H ARG 30 2.391 5.298 0.164
192 HA ARG 30 HA ARG 30 4.147 3.255 0.962
193 HB2 ARG 30 1HB ARG 30 3.776 4.039 3.226
194 HB3 ARG 30 2HB ARG 30 3.906 5.416 2.139
195 HG2 ARG 30 1HG ARG 30 1.549 5.774 2.191
196 HG3 ARG 30 2HG ARG 30 1.287 4.263 3.064
197 HD2 ARG 30 1HD ARG 30 3.073 6.334 4.250
198 HD3 ARG 30 2HD ARG 30 1.327 6.568 4.325
199 HE ARG 30 HE ARG 30 1.585 4.075 5.264
200 HH11 ARG 30 1HH1 ARG 30 3.275 7.021 6.031
201 HH12 ARG 30 2HH1 ARG 30 3.586 6.568 7.674
202 HH21 ARG 30 1HH2 ARG 30 1.989 3.468 7.425
203 HH22 ARG 30 2HH2 ARG 30 2.855 4.546 8.466
204 H HIS 31 H HIS 31 0.647 3.499 1.009
205 HA HIS 31 HA HIS 31 0.113 1.306 2.691
206 HB2 HIS 31 1HB HIS 31 -1.692 2.767 2.287
207 HB3 HIS 31 2HB HIS 31 -1.477 2.689 0.541
208 HD1 HIS 31 HD1 HIS 31 -2.541 0.414 3.393
209 HD2 HIS 31 HD2 HIS 31 -3.120 0.916 -0.691
210 HE1 HIS 31 HE1 HIS 31 -4.291 -1.274 2.749
211 H ARG 32 H ARG 32 0.473 1.543 -0.828
212 HA ARG 32 HA ARG 32 -0.257 -0.945 -1.658
213 HB2 ARG 32 1HB ARG 32 2.191 0.578 -2.572
214 HB3 ARG 32 2HB ARG 32 1.411 -0.725 -3.457
215 HG2 ARG 32 1HG ARG 32 -0.135 1.714 -2.687
216 HG3 ARG 32 2HG ARG 32 0.914 1.722 -4.106
217 HD2 ARG 32 1HD ARG 32 -1.348 -0.204 -3.585
218 HD3 ARG 32 2HD ARG 32 -1.391 1.163 -4.698
219 HE ARG 32 HE ARG 32 -0.090 -1.386 -5.114
220 HH11 ARG 32 1HH1 ARG 32 -0.379 1.936 -6.114
221 HH12 ARG 32 2HH1 ARG 32 0.258 1.650 -7.700
222 HH21 ARG 32 1HH2 ARG 32 0.749 -1.776 -7.199
223 HH22 ARG 32 2HH2 ARG 32 0.898 -0.462 -8.316
224 H ARG 33 H ARG 33 2.444 -0.121 0.334
225 HA ARG 33 HA ARG 33 4.146 -2.279 -0.074
226 HB2 ARG 33 1HB ARG 33 3.541 -0.625 2.368
227 HB3 ARG 33 2HB ARG 33 4.737 -1.914 2.400
228 HG2 ARG 33 1HG ARG 33 5.878 -0.760 0.481
229 HG3 ARG 33 2HG ARG 33 4.779 0.595 0.747
230 HD2 ARG 33 1HD ARG 33 6.695 1.171 1.951
231 HD3 ARG 33 2HD ARG 33 5.594 0.534 3.173
232 HE ARG 33 HE ARG 33 7.446 -1.384 2.045
233 HH11 ARG 33 1HH1 ARG 33 6.797 0.898 4.592
234 HH12 ARG 33 2HH1 ARG 33 7.925 0.184 5.697
235 HH21 ARG 33 1HH2 ARG 33 8.934 -2.333 3.489
236 HH22 ARG 33 2HH2 ARG 33 9.141 -1.653 5.068
237 H VAL 34 H VAL 34 1.348 -2.002 2.091
238 HA VAL 34 HA VAL 34 1.453 -4.315 3.511
239 HB VAL 34 HB VAL 34 -1.016 -4.372 3.485
240 HG11 VAL 34 1HG1 VAL 34 0.623 -2.053 4.141
241 HG12 VAL 34 2HG1 VAL 34 -1.083 -1.661 3.921
242 HG13 VAL 34 3HG1 VAL 34 -0.603 -2.882 5.099
243 HG21 VAL 34 3HG2 VAL 34 -0.690 -3.156 0.967
244 HG22 VAL 34 1HG2 VAL 34 -2.197 -3.577 1.780
245 HG23 VAL 34 2HG2 VAL 34 -1.497 -1.973 1.996
246 H HIS 35 H HIS 35 1.053 -4.016 0.101
247 HA HIS 35 HA HIS 35 0.260 -6.827 -0.153
248 HB2 HIS 35 1HB HIS 35 0.441 -4.665 -2.263
249 HB3 HIS 35 2HB HIS 35 -0.161 -6.300 -2.517
250 HD1 HIS 35 HD1 HIS 35 -2.392 -6.900 -1.092
251 HD2 HIS 35 HD2 HIS 35 -1.454 -2.873 -1.492
252 HE1 HIS 35 HE1 HIS 35 -4.506 -5.659 -0.534
253 H THR 36 H THR 36 2.643 -4.557 -1.523
254 HA THR 36 HA THR 36 4.217 -6.073 -3.050
255 HB THR 36 HB THR 36 6.197 -4.833 -2.277
256 HG1 THR 36 HG1 THR 36 6.132 -3.625 -0.437
257 HG21 THR 36 3HG2 THR 36 4.949 -2.473 -2.306
258 HG22 THR 36 1HG2 THR 36 3.611 -3.490 -2.838
259 HG23 THR 36 2HG2 THR 36 5.119 -3.469 -3.752
260 H GLY 37 H GLY 37 4.530 -8.211 -2.724
261 HA2 GLY 37 1HA GLY 37 5.762 -10.013 -1.923
262 HA3 GLY 37 2HA GLY 37 6.372 -8.986 -0.633
263 H GLY 38 H GLY 38 5.892 -9.884 1.258
264 HA2 GLY 38 1HA GLY 38 4.441 -10.415 3.014
265 HA3 GLY 38 2HA GLY 38 3.108 -10.459 1.870
266 H LYS 39 H LYS 39 2.925 -12.343 0.476
267 HA LYS 39 HA LYS 39 4.088 -14.746 1.726
268 HB2 LYS 39 1HB LYS 39 1.357 -14.302 0.523
269 HB3 LYS 39 2HB LYS 39 2.002 -15.906 0.846
270 HG2 LYS 39 1HG LYS 39 0.750 -15.505 2.730
271 HG3 LYS 39 2HG LYS 39 2.357 -14.996 3.252
272 HD2 LYS 39 1HD LYS 39 1.129 -13.198 3.954
273 HD3 LYS 39 2HD LYS 39 1.537 -12.664 2.322
274 HE2 LYS 39 1HE LYS 39 -0.739 -12.248 2.439
275 HE3 LYS 39 2HE LYS 39 -0.676 -13.822 1.649
276 HZ1 LYS 39 3HZ LYS 39 -0.752 -14.153 4.452
277 HZ2 LYS 39 1HZ LYS 39 -1.854 -14.695 3.289
278 HZ3 LYS 39 2HZ LYS 39 -2.031 -13.157 3.969
279 HA PRO 40 HA PRO 40 5.815 -15.886 -2.146
280 HB2 PRO 40 1HB PRO 40 5.679 -18.594 -2.000
281 HB3 PRO 40 2HB PRO 40 6.818 -17.636 -1.046
282 HG2 PRO 40 1HG PRO 40 4.185 -18.808 -0.236
283 HG3 PRO 40 2HG PRO 40 5.716 -18.772 0.658
284 HD2 PRO 40 1HD PRO 40 3.693 -17.045 1.164
285 HD3 PRO 40 2HD PRO 40 5.400 -16.599 1.360
286 H SER 41 H SER 41 2.580 -16.245 -1.475
287 HA SER 41 HA SER 41 1.972 -17.536 -4.041
288 HB2 SER 41 1HB SER 41 0.784 -18.582 -2.262
289 HB3 SER 41 2HB SER 41 0.306 -17.031 -1.573
290 HG SER 41 HG SER 41 -0.950 -16.698 -3.488
291 H GLY 42 H GLY 42 0.636 -14.861 -2.082
292 HA2 GLY 42 1HA GLY 42 -0.509 -12.972 -2.781
293 HA3 GLY 42 2HA GLY 42 0.962 -12.741 -3.714
294 HA PRO 43 HA PRO 43 -2.375 -14.816 -6.581
295 HB2 PRO 43 1HB PRO 43 -4.939 -14.492 -5.748
296 HB3 PRO 43 2HB PRO 43 -3.962 -15.903 -5.323
297 HG2 PRO 43 1HG PRO 43 -4.551 -13.452 -3.709
298 HG3 PRO 43 2HG PRO 43 -4.531 -15.150 -3.198
299 HD2 PRO 43 1HD PRO 43 -2.472 -13.459 -2.715
300 HD3 PRO 43 2HD PRO 43 -2.234 -15.195 -3.002
301 H SER 44 H SER 44 -3.740 -12.074 -4.743
302 HA SER 44 HA SER 44 -4.784 -10.168 -5.519
303 HB2 SER 44 1HB SER 44 -2.213 -9.823 -5.466
304 HB3 SER 44 2HB SER 44 -2.325 -9.864 -7.225
305 HG SER 44 HG SER 44 -3.074 -7.910 -7.175
306 H SER 45 H SER 45 -5.726 -12.349 -6.969
307 HA SER 45 HA SER 45 -5.723 -11.491 -9.768
308 HB2 SER 45 1HB SER 45 -5.452 -13.964 -8.861
309 HB3 SER 45 2HB SER 45 -7.215 -13.908 -8.835
310 HG SER 45 HG SER 45 -5.883 -14.543 -10.869
311 H GLY 46 H GLY 46 -7.139 -9.880 -10.098
312 HA2 GLY 46 1HA GLY 46 -9.941 -10.415 -9.829
313 HA3 GLY 46 2HA GLY 46 -9.385 -9.215 -8.672
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -22.317 -13.324 -0.315
2 HA2 GLY 1 1HA GLY 1 -22.854 -11.307 -1.377
3 HA3 GLY 1 2HA GLY 1 -24.544 -11.789 -1.389
4 H SER 2 H SER 2 -22.005 -11.053 1.007
5 HA SER 2 HA SER 2 -24.046 -9.673 2.610
6 HB2 SER 2 1HB SER 2 -22.505 -9.937 4.506
7 HB3 SER 2 2HB SER 2 -22.858 -11.496 3.761
8 HG SER 2 HG SER 2 -20.830 -11.018 2.511
9 H SER 3 H SER 3 -23.208 -7.760 3.867
10 HA SER 3 HA SER 3 -20.972 -6.302 2.874
11 HB2 SER 3 1HB SER 3 -22.194 -4.453 1.816
12 HB3 SER 3 2HB SER 3 -22.494 -5.969 0.967
13 HG SER 3 HG SER 3 -24.459 -6.110 2.237
14 H GLY 4 H GLY 4 -20.539 -4.432 4.083
15 HA2 GLY 4 1HA GLY 4 -22.435 -3.459 6.023
16 HA3 GLY 4 2HA GLY 4 -21.137 -4.406 6.735
17 H SER 5 H SER 5 -21.113 -2.091 4.038
18 HA SER 5 HA SER 5 -19.705 -0.116 5.594
19 HB2 SER 5 1HB SER 5 -18.032 -1.963 4.728
20 HB3 SER 5 2HB SER 5 -18.183 -1.086 3.205
21 HG SER 5 HG SER 5 -16.948 -0.349 5.563
22 H SER 6 H SER 6 -20.424 1.785 4.923
23 HA SER 6 HA SER 6 -21.709 2.003 2.324
24 HB2 SER 6 1HB SER 6 -22.534 4.155 3.125
25 HB3 SER 6 2HB SER 6 -22.821 2.914 4.345
26 HG SER 6 HG SER 6 -20.708 3.688 5.228
27 H GLY 7 H GLY 7 -21.015 3.241 0.643
28 HA2 GLY 7 1HA GLY 7 -18.227 4.013 0.669
29 HA3 GLY 7 2HA GLY 7 -19.312 4.058 -0.713
30 H THR 8 H THR 8 -18.067 5.802 2.023
31 HA THR 8 HA THR 8 -19.516 8.212 1.149
32 HB THR 8 HB THR 8 -19.960 7.729 3.465
33 HG1 THR 8 HG1 THR 8 -19.453 9.715 4.225
34 HG21 THR 8 3HG2 THR 8 -17.034 7.252 3.556
35 HG22 THR 8 1HG2 THR 8 -18.344 6.410 4.382
36 HG23 THR 8 2HG2 THR 8 -17.777 7.966 4.987
37 H GLY 9 H GLY 9 -16.412 6.751 1.428
38 HA2 GLY 9 1HA GLY 9 -14.907 9.207 1.341
39 HA3 GLY 9 2HA GLY 9 -14.265 7.580 1.162
40 H GLU 10 H GLU 10 -14.747 10.442 -0.401
41 HA GLU 10 HA GLU 10 -14.678 9.128 -3.039
42 HB2 GLU 10 1HB GLU 10 -15.752 11.102 -3.987
43 HB3 GLU 10 2HB GLU 10 -16.752 10.404 -2.721
44 HG2 GLU 10 1HG GLU 10 -15.596 12.140 -1.189
45 HG3 GLU 10 2HG GLU 10 -15.186 12.945 -2.703
46 H LYS 11 H LYS 11 -12.624 9.145 -3.687
47 HA LYS 11 HA LYS 11 -11.263 11.670 -4.005
48 HB2 LYS 11 1HB LYS 11 -10.016 9.497 -2.311
49 HB3 LYS 11 2HB LYS 11 -9.230 10.989 -2.812
50 HG2 LYS 11 1HG LYS 11 -11.695 10.860 -1.089
51 HG3 LYS 11 2HG LYS 11 -10.047 11.021 -0.477
52 HD2 LYS 11 1HD LYS 11 -11.189 12.948 -2.480
53 HD3 LYS 11 2HD LYS 11 -11.430 13.160 -0.744
54 HE2 LYS 11 1HE LYS 11 -8.964 13.098 -0.453
55 HE3 LYS 11 2HE LYS 11 -8.795 13.033 -2.207
56 HZ1 LYS 11 3HZ LYS 11 -9.070 15.216 -2.341
57 HZ2 LYS 11 1HZ LYS 11 -8.977 15.292 -0.653
58 HZ3 LYS 11 2HZ LYS 11 -10.483 15.179 -1.413
59 HA PRO 12 HA PRO 12 -9.675 9.658 -7.570
60 HB2 PRO 12 1HB PRO 12 -7.346 11.006 -7.930
61 HB3 PRO 12 2HB PRO 12 -8.930 11.722 -8.252
62 HG2 PRO 12 1HG PRO 12 -7.168 12.025 -5.851
63 HG3 PRO 12 2HG PRO 12 -8.094 13.261 -6.723
64 HD2 PRO 12 1HD PRO 12 -8.956 12.160 -4.404
65 HD3 PRO 12 2HD PRO 12 -10.070 12.697 -5.678
66 H TYR 13 H TYR 13 -7.718 9.815 -4.681
67 HA TYR 13 HA TYR 13 -5.802 7.871 -5.653
68 HB2 TYR 13 1HB TYR 13 -6.090 8.906 -2.832
69 HB3 TYR 13 2HB TYR 13 -4.670 8.170 -3.567
70 HD1 TYR 13 HD2 TYR 13 -6.702 11.215 -3.336
71 HD2 TYR 13 HD1 TYR 13 -3.221 9.445 -5.027
72 HE1 TYR 13 HE2 TYR 13 -5.882 13.446 -3.969
73 HE2 TYR 13 HE1 TYR 13 -2.392 11.672 -5.663
74 HH TYR 13 HH TYR 13 -4.205 14.612 -4.842
75 H LYS 14 H LYS 14 -6.654 5.887 -5.911
76 HA LYS 14 HA LYS 14 -7.823 4.615 -3.535
77 HB2 LYS 14 1HB LYS 14 -9.718 5.079 -4.913
78 HB3 LYS 14 2HB LYS 14 -8.886 4.517 -6.357
79 HG2 LYS 14 1HG LYS 14 -10.242 2.732 -5.920
80 HG3 LYS 14 2HG LYS 14 -8.784 2.252 -5.049
81 HD2 LYS 14 1HD LYS 14 -9.712 2.745 -2.973
82 HD3 LYS 14 2HD LYS 14 -10.942 3.803 -3.667
83 HE2 LYS 14 1HE LYS 14 -10.903 0.882 -4.319
84 HE3 LYS 14 2HE LYS 14 -11.620 1.451 -2.812
85 HZ1 LYS 14 3HZ LYS 14 -13.282 1.262 -4.542
86 HZ2 LYS 14 1HZ LYS 14 -12.408 2.309 -5.544
87 HZ3 LYS 14 2HZ LYS 14 -13.085 2.885 -4.105
88 H CYS 15 H CYS 15 -7.410 2.402 -3.308
89 HA CYS 15 HA CYS 15 -5.064 1.488 -4.776
90 HB2 CYS 15 1HB CYS 15 -5.044 1.362 -2.320
91 HB3 CYS 15 2HB CYS 15 -6.451 0.305 -2.361
92 H ASN 16 H ASN 16 -5.178 0.089 -6.396
93 HA ASN 16 HA ASN 16 -7.713 -1.198 -6.998
94 HB2 ASN 16 1HB ASN 16 -5.135 -0.827 -8.501
95 HB3 ASN 16 2HB ASN 16 -6.348 -1.974 -9.061
96 HD21 ASN 16 1HD2 ASN 16 -8.166 -1.244 -10.037
97 HD22 ASN 16 2HD2 ASN 16 -8.468 0.421 -10.389
98 H GLU 17 H GLU 17 -5.757 -2.016 -4.786
99 HA GLU 17 HA GLU 17 -5.295 -4.796 -5.617
100 HB2 GLU 17 1HB GLU 17 -4.235 -3.454 -3.132
101 HB3 GLU 17 2HB GLU 17 -3.696 -4.965 -3.851
102 HG2 GLU 17 1HG GLU 17 -3.327 -2.194 -4.958
103 HG3 GLU 17 2HG GLU 17 -2.082 -3.263 -4.313
104 H CYS 18 H CYS 18 -6.571 -2.880 -2.908
105 HA CYS 18 HA CYS 18 -8.191 -5.219 -2.136
106 HB2 CYS 18 1HB CYS 18 -8.191 -4.267 0.165
107 HB3 CYS 18 2HB CYS 18 -6.586 -4.725 -0.397
108 H GLY 19 H GLY 19 -8.123 -1.658 -2.135
109 HA2 GLY 19 1HA GLY 19 -10.130 -0.699 -3.342
110 HA3 GLY 19 2HA GLY 19 -11.074 -1.703 -2.252
111 H LYS 20 H LYS 20 -8.171 0.065 -1.352
112 HA LYS 20 HA LYS 20 -9.785 1.593 0.563
113 HB2 LYS 20 1HB LYS 20 -6.918 0.733 0.475
114 HB3 LYS 20 2HB LYS 20 -7.369 2.134 1.437
115 HG2 LYS 20 1HG LYS 20 -9.174 0.514 2.411
116 HG3 LYS 20 2HG LYS 20 -8.077 -0.734 1.814
117 HD2 LYS 20 1HD LYS 20 -6.300 0.054 3.175
118 HD3 LYS 20 2HD LYS 20 -7.171 1.538 3.571
119 HE2 LYS 20 1HE LYS 20 -8.654 0.427 4.991
120 HE3 LYS 20 2HE LYS 20 -8.286 -1.150 4.293
121 HZ1 LYS 20 3HZ LYS 20 -5.917 -0.104 5.329
122 HZ2 LYS 20 1HZ LYS 20 -6.792 -1.444 5.878
123 HZ3 LYS 20 2HZ LYS 20 -7.107 0.090 6.516
124 H VAL 21 H VAL 21 -9.768 3.805 0.638
125 HA VAL 21 HA VAL 21 -8.492 5.153 -1.648
126 HB VAL 21 HB VAL 21 -10.761 6.281 -0.025
127 HG11 VAL 21 1HG1 VAL 21 -11.107 7.708 -1.912
128 HG12 VAL 21 2HG1 VAL 21 -9.393 7.769 -1.495
129 HG13 VAL 21 3HG1 VAL 21 -9.934 6.810 -2.874
130 HG21 VAL 21 3HG2 VAL 21 -10.878 3.983 -1.671
131 HG22 VAL 21 1HG2 VAL 21 -12.212 4.862 -0.923
132 HG23 VAL 21 2HG2 VAL 21 -11.666 5.298 -2.542
133 H PHE 22 H PHE 22 -7.576 7.246 -1.326
134 HA PHE 22 HA PHE 22 -7.014 8.002 1.446
135 HB2 PHE 22 1HB PHE 22 -4.866 7.692 -0.663
136 HB3 PHE 22 2HB PHE 22 -4.627 8.262 0.986
137 HD1 PHE 22 HD2 PHE 22 -5.328 5.346 -1.117
138 HD2 PHE 22 HD1 PHE 22 -4.588 6.737 2.837
139 HE1 PHE 22 HE2 PHE 22 -4.951 3.030 -0.377
140 HE2 PHE 22 HE1 PHE 22 -4.210 4.423 3.584
141 HZ PHE 22 HZ PHE 22 -4.392 2.566 1.976
142 H THR 23 H THR 23 -6.005 10.183 1.589
143 HA THR 23 HA THR 23 -7.327 11.966 -0.291
144 HB THR 23 HB THR 23 -7.609 12.482 2.057
145 HG1 THR 23 HG1 THR 23 -7.169 14.205 0.385
146 HG21 THR 23 3HG2 THR 23 -5.560 13.295 3.339
147 HG22 THR 23 1HG2 THR 23 -4.599 12.488 2.100
148 HG23 THR 23 2HG2 THR 23 -5.708 11.553 3.103
149 H GLN 24 H GLN 24 -4.090 11.042 0.695
150 HA GLN 24 HA GLN 24 -3.015 12.761 -1.443
151 HB2 GLN 24 1HB GLN 24 -1.778 12.043 1.217
152 HB3 GLN 24 2HB GLN 24 -0.892 12.811 -0.095
153 HG2 GLN 24 1HG GLN 24 -2.159 14.783 0.061
154 HG3 GLN 24 2HG GLN 24 -3.386 14.009 1.063
155 HE21 GLN 24 1HE2 GLN 24 -2.195 16.388 1.786
156 HE22 GLN 24 2HE2 GLN 24 -1.212 16.132 3.183
157 H ASN 25 H ASN 25 -1.350 11.923 -2.721
158 HA ASN 25 HA ASN 25 -1.509 9.211 -3.359
159 HB2 ASN 25 1HB ASN 25 -0.670 11.057 -4.852
160 HB3 ASN 25 2HB ASN 25 0.841 11.019 -3.947
161 HD21 ASN 25 1HD2 ASN 25 2.258 10.209 -5.341
162 HD22 ASN 25 2HD2 ASN 25 2.089 8.708 -6.180
163 H SER 26 H SER 26 0.868 10.967 -1.406
164 HA SER 26 HA SER 26 2.765 9.052 -0.965
165 HB2 SER 26 1HB SER 26 2.437 11.486 0.024
166 HB3 SER 26 2HB SER 26 1.808 10.596 1.410
167 HG SER 26 HG SER 26 3.863 10.494 1.897
168 H HIS 27 H HIS 27 -0.074 9.548 1.142
169 HA HIS 27 HA HIS 27 0.238 7.361 2.785
170 HB2 HIS 27 1HB HIS 27 -2.440 8.332 1.780
171 HB3 HIS 27 2HB HIS 27 -2.091 7.554 3.321
172 HD1 HIS 27 HD1 HIS 27 -3.347 10.496 2.735
173 HD2 HIS 27 HD2 HIS 27 0.465 9.576 4.108
174 HE1 HIS 27 HE1 HIS 27 -2.549 12.557 3.935
175 H LEU 28 H LEU 28 -1.061 7.492 -0.470
176 HA LEU 28 HA LEU 28 -2.070 4.817 -0.468
177 HB2 LEU 28 1HB LEU 28 -3.055 6.352 -1.980
178 HB3 LEU 28 2HB LEU 28 -1.488 6.805 -2.647
179 HG LEU 28 HG LEU 28 -1.299 4.589 -3.684
180 HD11 LEU 28 1HD1 LEU 28 -3.021 3.702 -1.840
181 HD12 LEU 28 2HD1 LEU 28 -2.756 2.888 -3.381
182 HD13 LEU 28 3HD1 LEU 28 -4.140 3.960 -3.178
183 HD21 LEU 28 3HD2 LEU 28 -3.971 5.720 -4.441
184 HD22 LEU 28 1HD2 LEU 28 -2.724 5.024 -5.476
185 HD23 LEU 28 2HD2 LEU 28 -2.478 6.610 -4.744
186 H ALA 29 H ALA 29 0.906 6.370 -1.570
187 HA ALA 29 HA ALA 29 2.038 4.159 -2.877
188 HB1 ALA 29 3HB ALA 29 4.233 5.450 -2.067
189 HB2 ALA 29 1HB ALA 29 3.222 6.018 -3.396
190 HB3 ALA 29 2HB ALA 29 3.040 6.719 -1.788
191 H ARG 30 H ARG 30 2.392 5.296 0.474
192 HA ARG 30 HA ARG 30 4.137 3.201 1.264
193 HB2 ARG 30 1HB ARG 30 3.929 4.045 3.458
194 HB3 ARG 30 2HB ARG 30 3.798 5.451 2.410
195 HG2 ARG 30 1HG ARG 30 1.271 5.133 2.596
196 HG3 ARG 30 2HG ARG 30 1.638 4.054 3.944
197 HD2 ARG 30 1HD ARG 30 2.818 6.801 3.844
198 HD3 ARG 30 2HD ARG 30 1.160 6.568 4.399
199 HE ARG 30 HE ARG 30 2.441 4.812 5.921
200 HH11 ARG 30 1HH1 ARG 30 3.251 8.101 5.116
201 HH12 ARG 30 2HH1 ARG 30 4.076 8.401 6.609
202 HH21 ARG 30 1HH2 ARG 30 3.525 5.195 7.891
203 HH22 ARG 30 2HH2 ARG 30 4.232 6.747 8.187
204 H HIS 31 H HIS 31 0.684 3.505 1.034
205 HA HIS 31 HA HIS 31 -0.002 1.353 2.757
206 HB2 HIS 31 1HB HIS 31 -1.752 2.853 2.317
207 HB3 HIS 31 2HB HIS 31 -1.454 2.837 0.582
208 HD1 HIS 31 HD1 HIS 31 -2.757 0.517 3.291
209 HD2 HIS 31 HD2 HIS 31 -3.053 1.135 -0.807
210 HE1 HIS 31 HE1 HIS 31 -4.513 -1.096 2.493
211 H ARG 32 H ARG 32 0.117 1.577 -0.802
212 HA ARG 32 HA ARG 32 -0.534 -0.923 -1.569
213 HB2 ARG 32 1HB ARG 32 1.756 0.758 -2.596
214 HB3 ARG 32 2HB ARG 32 1.172 -0.691 -3.405
215 HG2 ARG 32 1HG ARG 32 -1.104 0.440 -3.453
216 HG3 ARG 32 2HG ARG 32 -0.251 1.917 -2.999
217 HD2 ARG 32 1HD ARG 32 1.242 1.532 -4.990
218 HD3 ARG 32 2HD ARG 32 0.132 0.251 -5.477
219 HE ARG 32 HE ARG 32 -1.082 2.837 -5.012
220 HH11 ARG 32 1HH1 ARG 32 0.326 0.645 -7.321
221 HH12 ARG 32 2HH1 ARG 32 -0.439 1.388 -8.687
222 HH21 ARG 32 1HH2 ARG 32 -2.094 3.824 -6.802
223 HH22 ARG 32 2HH2 ARG 32 -1.814 3.196 -8.391
224 H ARG 33 H ARG 33 2.335 -0.006 0.171
225 HA ARG 33 HA ARG 33 4.062 -2.085 -0.266
226 HB2 ARG 33 1HB ARG 33 3.413 -0.593 2.271
227 HB3 ARG 33 2HB ARG 33 4.697 -1.793 2.194
228 HG2 ARG 33 1HG ARG 33 4.565 0.596 0.375
229 HG3 ARG 33 2HG ARG 33 5.418 0.592 1.920
230 HD2 ARG 33 1HD ARG 33 5.955 -1.260 -0.399
231 HD3 ARG 33 2HD ARG 33 6.929 0.141 0.046
232 HE ARG 33 HE ARG 33 6.596 -1.848 2.121
233 HH11 ARG 33 1HH1 ARG 33 8.543 -0.685 -0.520
234 HH12 ARG 33 2HH1 ARG 33 9.988 -1.467 0.030
235 HH21 ARG 33 1HH2 ARG 33 8.492 -2.883 2.855
236 HH22 ARG 33 2HH2 ARG 33 9.957 -2.717 1.949
237 H VAL 34 H VAL 34 1.284 -2.044 1.940
238 HA VAL 34 HA VAL 34 1.520 -4.396 3.269
239 HB VAL 34 HB VAL 34 -0.899 -4.560 3.352
240 HG11 VAL 34 1HG1 VAL 34 0.350 -2.731 4.573
241 HG12 VAL 34 2HG1 VAL 34 -0.209 -1.632 3.310
242 HG13 VAL 34 3HG1 VAL 34 -1.377 -2.466 4.337
243 HG21 VAL 34 3HG2 VAL 34 -2.297 -3.018 1.991
244 HG22 VAL 34 1HG2 VAL 34 -0.854 -2.584 1.075
245 HG23 VAL 34 2HG2 VAL 34 -1.459 -4.240 1.035
246 H HIS 35 H HIS 35 0.704 -3.981 -0.117
247 HA HIS 35 HA HIS 35 0.218 -6.831 -0.462
248 HB2 HIS 35 1HB HIS 35 0.247 -4.653 -2.559
249 HB3 HIS 35 2HB HIS 35 -0.403 -6.280 -2.735
250 HD1 HIS 35 HD1 HIS 35 -2.631 -6.798 -1.411
251 HD2 HIS 35 HD2 HIS 35 -1.468 -2.809 -1.443
252 HE1 HIS 35 HE1 HIS 35 -4.656 -5.502 -0.675
253 H THR 36 H THR 36 2.610 -6.937 0.366
254 HA THR 36 HA THR 36 4.232 -7.478 -1.988
255 HB THR 36 HB THR 36 6.189 -6.296 -1.188
256 HG1 THR 36 HG1 THR 36 4.499 -5.503 0.966
257 HG21 THR 36 3HG2 THR 36 5.351 -3.937 -1.348
258 HG22 THR 36 1HG2 THR 36 3.710 -4.581 -1.313
259 HG23 THR 36 2HG2 THR 36 4.794 -5.001 -2.640
260 H GLY 37 H GLY 37 5.118 -9.424 -1.766
261 HA2 GLY 37 1HA GLY 37 5.520 -11.464 -0.715
262 HA3 GLY 37 2HA GLY 37 6.718 -10.466 0.096
263 H GLY 38 H GLY 38 3.175 -10.859 0.327
264 HA2 GLY 38 1HA GLY 38 3.543 -11.185 3.242
265 HA3 GLY 38 2HA GLY 38 2.183 -10.325 2.535
266 H LYS 39 H LYS 39 3.647 -13.428 1.621
267 HA LYS 39 HA LYS 39 2.544 -15.375 1.028
268 HB2 LYS 39 1HB LYS 39 3.159 -15.336 3.567
269 HB3 LYS 39 2HB LYS 39 1.418 -15.248 3.805
270 HG2 LYS 39 1HG LYS 39 1.096 -17.340 2.684
271 HG3 LYS 39 2HG LYS 39 2.798 -17.402 2.217
272 HD2 LYS 39 1HD LYS 39 1.940 -17.284 5.095
273 HD3 LYS 39 2HD LYS 39 2.072 -18.812 4.222
274 HE2 LYS 39 1HE LYS 39 4.435 -18.135 3.646
275 HE3 LYS 39 2HE LYS 39 4.248 -16.812 4.796
276 HZ1 LYS 39 3HZ LYS 39 5.189 -18.444 6.085
277 HZ2 LYS 39 1HZ LYS 39 4.377 -19.705 5.302
278 HZ3 LYS 39 2HZ LYS 39 3.546 -18.711 6.389
279 HA PRO 40 HA PRO 40 -1.680 -13.282 0.669
280 HB2 PRO 40 1HB PRO 40 -1.601 -12.852 -2.011
281 HB3 PRO 40 2HB PRO 40 -1.011 -11.675 -0.831
282 HG2 PRO 40 1HG PRO 40 0.529 -13.655 -2.465
283 HG3 PRO 40 2HG PRO 40 0.906 -11.958 -2.116
284 HD2 PRO 40 1HD PRO 40 2.077 -14.012 -0.796
285 HD3 PRO 40 2HD PRO 40 1.752 -12.445 -0.028
286 H SER 41 H SER 41 -0.017 -15.486 -1.573
287 HA SER 41 HA SER 41 -0.800 -17.260 -2.802
288 HB2 SER 41 1HB SER 41 -0.623 -17.956 -0.265
289 HB3 SER 41 2HB SER 41 -2.377 -18.084 -0.394
290 HG SER 41 HG SER 41 -1.348 -19.273 -2.514
291 H GLY 42 H GLY 42 -2.358 -15.010 -3.297
292 HA2 GLY 42 1HA GLY 42 -4.368 -14.394 -4.217
293 HA3 GLY 42 2HA GLY 42 -4.622 -16.109 -4.504
294 HA PRO 43 HA PRO 43 -6.571 -14.991 -0.194
295 HB2 PRO 43 1HB PRO 43 -7.062 -12.349 0.190
296 HB3 PRO 43 2HB PRO 43 -5.561 -13.131 0.699
297 HG2 PRO 43 1HG PRO 43 -6.110 -11.497 -1.749
298 HG3 PRO 43 2HG PRO 43 -4.703 -11.458 -0.670
299 HD2 PRO 43 1HD PRO 43 -4.678 -12.745 -3.052
300 HD3 PRO 43 2HD PRO 43 -3.741 -13.308 -1.653
301 H SER 44 H SER 44 -7.377 -12.657 -2.767
302 HA SER 44 HA SER 44 -10.122 -13.708 -2.749
303 HB2 SER 44 1HB SER 44 -11.003 -11.430 -3.055
304 HB3 SER 44 2HB SER 44 -10.126 -11.573 -1.531
305 HG SER 44 HG SER 44 -9.724 -9.773 -3.315
306 H SER 45 H SER 45 -9.944 -14.851 -4.622
307 HA SER 45 HA SER 45 -8.679 -13.784 -6.964
308 HB2 SER 45 1HB SER 45 -10.106 -16.301 -6.255
309 HB3 SER 45 2HB SER 45 -10.006 -15.874 -7.963
310 HG SER 45 HG SER 45 -7.741 -15.900 -6.269
311 H GLY 46 H GLY 46 -9.558 -12.710 -8.634
312 HA2 GLY 46 1HA GLY 46 -12.167 -12.847 -9.564
313 HA3 GLY 46 2HA GLY 46 -12.146 -11.564 -8.363
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -30.723 -4.317 8.956
2 HA2 GLY 1 1HA GLY 1 -28.700 -4.779 9.937
3 HA3 GLY 1 2HA GLY 1 -28.770 -6.294 9.048
4 H SER 2 H SER 2 -28.343 -2.886 8.092
5 HA SER 2 HA SER 2 -25.629 -3.166 7.373
6 HB2 SER 2 1HB SER 2 -25.862 -3.080 4.909
7 HB3 SER 2 2HB SER 2 -26.494 -4.583 5.581
8 HG SER 2 HG SER 2 -28.418 -4.063 4.906
9 H SER 3 H SER 3 -25.133 -1.181 8.074
10 HA SER 3 HA SER 3 -26.134 1.097 6.590
11 HB2 SER 3 1HB SER 3 -26.596 0.783 9.559
12 HB3 SER 3 2HB SER 3 -26.661 2.341 8.736
13 HG SER 3 HG SER 3 -28.645 1.828 8.305
14 H GLY 4 H GLY 4 -25.042 3.172 7.484
15 HA2 GLY 4 1HA GLY 4 -23.072 3.918 8.810
16 HA3 GLY 4 2HA GLY 4 -22.261 2.480 8.207
17 H SER 5 H SER 5 -24.319 4.756 6.439
18 HA SER 5 HA SER 5 -21.988 5.401 4.752
19 HB2 SER 5 1HB SER 5 -24.874 4.939 4.018
20 HB3 SER 5 2HB SER 5 -23.784 5.831 2.957
21 HG SER 5 HG SER 5 -22.892 3.380 3.929
22 H SER 6 H SER 6 -21.551 7.190 6.170
23 HA SER 6 HA SER 6 -23.035 9.564 5.391
24 HB2 SER 6 1HB SER 6 -24.141 8.759 7.477
25 HB3 SER 6 2HB SER 6 -22.596 8.910 8.314
26 HG SER 6 HG SER 6 -24.176 10.961 7.170
27 H GLY 7 H GLY 7 -21.721 11.265 5.093
28 HA2 GLY 7 1HA GLY 7 -19.842 12.594 5.160
29 HA3 GLY 7 2HA GLY 7 -19.350 11.721 6.603
30 H THR 8 H THR 8 -19.720 11.035 3.121
31 HA THR 8 HA THR 8 -17.107 9.674 3.227
32 HB THR 8 HB THR 8 -18.770 8.052 2.680
33 HG1 THR 8 HG1 THR 8 -17.865 8.678 0.097
34 HG21 THR 8 3HG2 THR 8 -20.098 8.518 0.459
35 HG22 THR 8 1HG2 THR 8 -19.825 10.203 0.900
36 HG23 THR 8 2HG2 THR 8 -20.688 9.131 2.003
37 H GLY 9 H GLY 9 -15.558 10.177 1.731
38 HA2 GLY 9 1HA GLY 9 -16.228 12.363 -0.144
39 HA3 GLY 9 2HA GLY 9 -14.705 12.287 0.731
40 H GLU 10 H GLU 10 -15.770 12.066 -2.228
41 HA GLU 10 HA GLU 10 -14.589 9.560 -3.053
42 HB2 GLU 10 1HB GLU 10 -15.775 11.864 -4.601
43 HB3 GLU 10 2HB GLU 10 -15.102 10.431 -5.364
44 HG2 GLU 10 1HG GLU 10 -16.754 9.138 -3.862
45 HG3 GLU 10 2HG GLU 10 -17.561 10.695 -3.689
46 H LYS 11 H LYS 11 -12.430 9.801 -2.374
47 HA LYS 11 HA LYS 11 -10.826 11.989 -3.340
48 HB2 LYS 11 1HB LYS 11 -10.265 9.491 -1.770
49 HB3 LYS 11 2HB LYS 11 -8.944 10.457 -2.414
50 HG2 LYS 11 1HG LYS 11 -9.216 11.224 -0.232
51 HG3 LYS 11 2HG LYS 11 -10.039 12.431 -1.222
52 HD2 LYS 11 1HD LYS 11 -11.509 12.020 0.560
53 HD3 LYS 11 2HD LYS 11 -12.166 11.085 -0.785
54 HE2 LYS 11 1HE LYS 11 -12.260 9.588 0.985
55 HE3 LYS 11 2HE LYS 11 -10.757 9.147 0.175
56 HZ1 LYS 11 3HZ LYS 11 -10.216 11.133 2.085
57 HZ2 LYS 11 1HZ LYS 11 -9.664 9.534 2.043
58 HZ3 LYS 11 2HZ LYS 11 -11.112 9.908 2.832
59 HA PRO 12 HA PRO 12 -9.655 10.285 -7.225
60 HB2 PRO 12 1HB PRO 12 -7.285 11.563 -7.572
61 HB3 PRO 12 2HB PRO 12 -8.847 12.375 -7.732
62 HG2 PRO 12 1HG PRO 12 -6.955 12.349 -5.412
63 HG3 PRO 12 2HG PRO 12 -7.862 13.708 -6.101
64 HD2 PRO 12 1HD PRO 12 -8.660 12.408 -3.864
65 HD3 PRO 12 2HD PRO 12 -9.808 13.123 -5.013
66 H TYR 13 H TYR 13 -7.612 10.005 -4.422
67 HA TYR 13 HA TYR 13 -5.852 8.076 -5.709
68 HB2 TYR 13 1HB TYR 13 -5.868 8.973 -2.822
69 HB3 TYR 13 2HB TYR 13 -4.577 8.117 -3.659
70 HD1 TYR 13 HD1 TYR 13 -3.283 9.298 -5.446
71 HD2 TYR 13 HD2 TYR 13 -6.052 11.334 -2.938
72 HE1 TYR 13 HE1 TYR 13 -2.255 11.445 -6.064
73 HE2 TYR 13 HE2 TYR 13 -5.032 13.487 -3.550
74 HH TYR 13 HH TYR 13 -2.400 14.071 -4.498
75 H LYS 14 H LYS 14 -6.611 6.080 -5.940
76 HA LYS 14 HA LYS 14 -7.830 4.775 -3.611
77 HB2 LYS 14 1HB LYS 14 -9.738 5.274 -4.917
78 HB3 LYS 14 2HB LYS 14 -8.920 4.856 -6.417
79 HG2 LYS 14 1HG LYS 14 -8.865 2.494 -5.672
80 HG3 LYS 14 2HG LYS 14 -9.812 2.958 -4.257
81 HD2 LYS 14 1HD LYS 14 -11.389 4.003 -6.109
82 HD3 LYS 14 2HD LYS 14 -10.619 2.772 -7.114
83 HE2 LYS 14 1HE LYS 14 -11.225 1.106 -5.315
84 HE3 LYS 14 2HE LYS 14 -12.210 2.375 -4.589
85 HZ1 LYS 14 3HZ LYS 14 -12.825 2.204 -7.322
86 HZ2 LYS 14 1HZ LYS 14 -13.828 1.889 -5.996
87 HZ3 LYS 14 2HZ LYS 14 -12.898 0.646 -6.666
88 H CYS 15 H CYS 15 -7.339 2.618 -3.360
89 HA CYS 15 HA CYS 15 -5.041 1.683 -4.850
90 HB2 CYS 15 1HB CYS 15 -5.171 1.439 -2.385
91 HB3 CYS 15 2HB CYS 15 -6.544 0.354 -2.585
92 H ASN 16 H ASN 16 -5.116 0.367 -6.541
93 HA ASN 16 HA ASN 16 -7.656 -0.844 -7.289
94 HB2 ASN 16 1HB ASN 16 -5.925 0.441 -8.826
95 HB3 ASN 16 2HB ASN 16 -5.184 -1.152 -8.938
96 HD21 ASN 16 1HD2 ASN 16 -5.656 -1.501 -11.059
97 HD22 ASN 16 2HD2 ASN 16 -7.263 -1.719 -11.655
98 H GLU 17 H GLU 17 -5.663 -1.800 -5.128
99 HA GLU 17 HA GLU 17 -5.197 -4.518 -6.128
100 HB2 GLU 17 1HB GLU 17 -4.237 -3.364 -3.512
101 HB3 GLU 17 2HB GLU 17 -3.653 -4.804 -4.334
102 HG2 GLU 17 1HG GLU 17 -3.286 -1.948 -5.196
103 HG3 GLU 17 2HG GLU 17 -2.049 -3.053 -4.600
104 H CYS 18 H CYS 18 -6.464 -2.878 -3.228
105 HA CYS 18 HA CYS 18 -8.076 -5.278 -2.674
106 HB2 CYS 18 1HB CYS 18 -8.238 -4.385 -0.353
107 HB3 CYS 18 2HB CYS 18 -6.589 -4.752 -0.846
108 H GLY 19 H GLY 19 -8.193 -1.726 -2.691
109 HA2 GLY 19 1HA GLY 19 -10.197 -0.851 -3.933
110 HA3 GLY 19 2HA GLY 19 -11.133 -1.925 -2.905
111 H LYS 20 H LYS 20 -8.374 -0.069 -1.792
112 HA LYS 20 HA LYS 20 -10.137 1.321 0.083
113 HB2 LYS 20 1HB LYS 20 -7.227 0.652 0.029
114 HB3 LYS 20 2HB LYS 20 -7.750 2.046 0.966
115 HG2 LYS 20 1HG LYS 20 -9.414 0.477 2.077
116 HG3 LYS 20 2HG LYS 20 -8.495 -0.836 1.338
117 HD2 LYS 20 1HD LYS 20 -7.527 -0.637 3.442
118 HD3 LYS 20 2HD LYS 20 -6.441 0.302 2.416
119 HE2 LYS 20 1HE LYS 20 -6.844 1.563 4.403
120 HE3 LYS 20 2HE LYS 20 -7.707 2.349 3.082
121 HZ1 LYS 20 3HZ LYS 20 -8.741 1.391 5.502
122 HZ2 LYS 20 1HZ LYS 20 -9.425 0.480 4.250
123 HZ3 LYS 20 2HZ LYS 20 -9.565 2.165 4.243
124 H VAL 21 H VAL 21 -9.314 3.618 0.661
125 HA VAL 21 HA VAL 21 -8.466 5.081 -1.734
126 HB VAL 21 HB VAL 21 -10.808 6.001 -0.073
127 HG11 VAL 21 1HG1 VAL 21 -9.483 7.712 -1.290
128 HG12 VAL 21 2HG1 VAL 21 -9.864 6.879 -2.798
129 HG13 VAL 21 3HG1 VAL 21 -11.155 7.598 -1.835
130 HG21 VAL 21 3HG2 VAL 21 -12.314 5.068 -1.549
131 HG22 VAL 21 1HG2 VAL 21 -11.121 4.926 -2.840
132 HG23 VAL 21 2HG2 VAL 21 -11.078 3.812 -1.474
133 H PHE 22 H PHE 22 -7.629 7.194 -1.308
134 HA PHE 22 HA PHE 22 -7.155 7.900 1.481
135 HB2 PHE 22 1HB PHE 22 -4.872 7.600 -0.480
136 HB3 PHE 22 2HB PHE 22 -4.753 8.076 1.211
137 HD1 PHE 22 HD2 PHE 22 -5.628 5.274 -1.038
138 HD2 PHE 22 HD1 PHE 22 -4.595 6.471 2.914
139 HE1 PHE 22 HE2 PHE 22 -5.351 2.914 -0.399
140 HE2 PHE 22 HE1 PHE 22 -4.315 4.113 3.559
141 HZ PHE 22 HZ PHE 22 -4.695 2.331 1.902
142 H THR 23 H THR 23 -6.191 10.068 1.707
143 HA THR 23 HA THR 23 -7.306 11.855 -0.302
144 HB THR 23 HB THR 23 -7.824 12.343 2.027
145 HG1 THR 23 HG1 THR 23 -5.995 14.272 0.995
146 HG21 THR 23 3HG2 THR 23 -5.821 11.393 3.064
147 HG22 THR 23 1HG2 THR 23 -6.077 13.055 3.592
148 HG23 THR 23 2HG2 THR 23 -4.845 12.694 2.384
149 H GLN 24 H GLN 24 -4.190 11.048 1.142
150 HA GLN 24 HA GLN 24 -2.866 12.882 -0.732
151 HB2 GLN 24 1HB GLN 24 -1.919 11.568 1.812
152 HB3 GLN 24 2HB GLN 24 -0.835 12.413 0.716
153 HG2 GLN 24 1HG GLN 24 -2.606 14.345 1.017
154 HG3 GLN 24 2HG GLN 24 -2.926 13.487 2.523
155 HE21 GLN 24 1HE2 GLN 24 -0.205 14.684 0.590
156 HE22 GLN 24 2HE2 GLN 24 0.735 15.227 1.934
157 H ASN 25 H ASN 25 -1.233 12.173 -2.104
158 HA ASN 25 HA ASN 25 -1.532 9.576 -3.163
159 HB2 ASN 25 1HB ASN 25 -0.784 11.473 -4.526
160 HB3 ASN 25 2HB ASN 25 0.700 11.576 -3.585
161 HD21 ASN 25 1HD2 ASN 25 -1.116 9.639 -5.860
162 HD22 ASN 25 2HD2 ASN 25 0.226 8.722 -6.445
163 H SER 26 H SER 26 0.843 11.005 -0.983
164 HA SER 26 HA SER 26 2.746 8.991 -0.940
165 HB2 SER 26 1HB SER 26 1.807 10.867 1.233
166 HB3 SER 26 2HB SER 26 3.175 9.774 1.445
167 HG SER 26 HG SER 26 3.964 11.729 0.730
168 H HIS 27 H HIS 27 -0.047 9.362 1.246
169 HA HIS 27 HA HIS 27 0.249 7.090 2.762
170 HB2 HIS 27 1HB HIS 27 -2.420 8.079 1.752
171 HB3 HIS 27 2HB HIS 27 -2.092 7.227 3.258
172 HD1 HIS 27 HD1 HIS 27 -3.526 9.958 3.244
173 HD2 HIS 27 HD2 HIS 27 0.568 9.461 3.753
174 HE1 HIS 27 HE1 HIS 27 -2.743 12.020 4.451
175 H LEU 28 H LEU 28 -1.330 7.385 -0.401
176 HA LEU 28 HA LEU 28 -2.145 4.680 -0.572
177 HB2 LEU 28 1HB LEU 28 -3.248 6.217 -1.968
178 HB3 LEU 28 2HB LEU 28 -1.731 6.851 -2.603
179 HG LEU 28 HG LEU 28 -1.380 4.771 -3.845
180 HD11 LEU 28 1HD1 LEU 28 -3.790 3.482 -3.893
181 HD12 LEU 28 2HD1 LEU 28 -3.616 3.890 -2.187
182 HD13 LEU 28 3HD1 LEU 28 -2.364 2.952 -3.000
183 HD21 LEU 28 3HD2 LEU 28 -2.662 5.441 -5.578
184 HD22 LEU 28 1HD2 LEU 28 -3.010 6.803 -4.513
185 HD23 LEU 28 2HD2 LEU 28 -4.143 5.456 -4.620
186 H ALA 29 H ALA 29 0.649 6.413 -1.929
187 HA ALA 29 HA ALA 29 1.823 4.283 -3.284
188 HB1 ALA 29 3HB ALA 29 2.880 6.811 -2.100
189 HB2 ALA 29 1HB ALA 29 4.002 5.611 -2.742
190 HB3 ALA 29 2HB ALA 29 2.772 6.319 -3.790
191 H ARG 30 H ARG 30 2.166 5.291 0.093
192 HA ARG 30 HA ARG 30 4.106 3.274 0.711
193 HB2 ARG 30 1HB ARG 30 3.914 4.027 2.987
194 HB3 ARG 30 2HB ARG 30 3.918 5.437 1.936
195 HG2 ARG 30 1HG ARG 30 1.529 5.669 2.165
196 HG3 ARG 30 2HG ARG 30 1.448 4.184 3.114
197 HD2 ARG 30 1HD ARG 30 3.198 6.442 3.998
198 HD3 ARG 30 2HD ARG 30 1.465 6.490 4.318
199 HE ARG 30 HE ARG 30 2.240 4.040 5.216
200 HH11 ARG 30 1HH1 ARG 30 3.264 7.308 5.839
201 HH12 ARG 30 2HH1 ARG 30 3.751 6.984 7.469
202 HH21 ARG 30 1HH2 ARG 30 2.878 3.600 7.362
203 HH22 ARG 30 2HH2 ARG 30 3.532 4.874 8.334
204 H HIS 31 H HIS 31 0.617 3.583 0.963
205 HA HIS 31 HA HIS 31 0.032 1.463 2.651
206 HB2 HIS 31 1HB HIS 31 -1.794 2.805 2.088
207 HB3 HIS 31 2HB HIS 31 -1.445 2.725 0.363
208 HD1 HIS 31 HD1 HIS 31 -2.533 0.320 3.109
209 HD2 HIS 31 HD2 HIS 31 -3.078 1.023 -0.949
210 HE1 HIS 31 HE1 HIS 31 -4.220 -1.385 2.352
211 H ARG 32 H ARG 32 0.204 1.398 -0.911
212 HA ARG 32 HA ARG 32 -0.338 -1.136 -1.545
213 HB2 ARG 32 1HB ARG 32 2.000 0.512 -2.503
214 HB3 ARG 32 2HB ARG 32 1.565 -1.031 -3.226
215 HG2 ARG 32 1HG ARG 32 -0.541 -0.187 -3.947
216 HG3 ARG 32 2HG ARG 32 -0.325 1.298 -3.020
217 HD2 ARG 32 1HD ARG 32 0.150 1.834 -5.279
218 HD3 ARG 32 2HD ARG 32 1.699 1.761 -4.441
219 HE ARG 32 HE ARG 32 2.270 -0.083 -5.699
220 HH11 ARG 32 1HH1 ARG 32 -1.099 0.671 -6.153
221 HH12 ARG 32 2HH1 ARG 32 -1.296 -0.415 -7.489
222 HH21 ARG 32 1HH2 ARG 32 2.023 -1.516 -7.456
223 HH22 ARG 32 2HH2 ARG 32 0.480 -1.659 -8.228
224 H ARG 33 H ARG 33 2.468 -0.096 0.262
225 HA ARG 33 HA ARG 33 4.174 -2.213 0.129
226 HB2 ARG 33 1HB ARG 33 3.367 -0.669 2.599
227 HB3 ARG 33 2HB ARG 33 4.773 -1.720 2.500
228 HG2 ARG 33 1HG ARG 33 4.413 0.554 0.587
229 HG3 ARG 33 2HG ARG 33 5.096 0.808 2.194
230 HD2 ARG 33 1HD ARG 33 6.151 -1.174 0.182
231 HD3 ARG 33 2HD ARG 33 6.799 0.449 0.417
232 HE ARG 33 HE ARG 33 6.732 -1.004 2.860
233 HH11 ARG 33 1HH1 ARG 33 8.501 -0.657 -0.119
234 HH12 ARG 33 2HH1 ARG 33 10.000 -1.207 0.555
235 HH21 ARG 33 1HH2 ARG 33 8.699 -1.729 3.759
236 HH22 ARG 33 2HH2 ARG 33 10.111 -1.817 2.760
237 H VAL 34 H VAL 34 1.322 -1.979 2.240
238 HA VAL 34 HA VAL 34 1.472 -4.289 3.666
239 HB VAL 34 HB VAL 34 -0.938 -4.338 3.785
240 HG11 VAL 34 1HG1 VAL 34 0.552 -1.817 3.975
241 HG12 VAL 34 2HG1 VAL 34 -1.202 -1.637 3.908
242 HG13 VAL 34 3HG1 VAL 34 -0.464 -2.630 5.165
243 HG21 VAL 34 3HG2 VAL 34 -1.412 -4.122 1.393
244 HG22 VAL 34 1HG2 VAL 34 -2.342 -2.962 2.340
245 HG23 VAL 34 2HG2 VAL 34 -0.918 -2.430 1.446
246 H HIS 35 H HIS 35 0.645 -3.960 0.271
247 HA HIS 35 HA HIS 35 -0.097 -6.729 -0.025
248 HB2 HIS 35 1HB HIS 35 0.411 -4.560 -2.071
249 HB3 HIS 35 2HB HIS 35 -0.178 -6.174 -2.457
250 HD1 HIS 35 HD1 HIS 35 -2.555 -6.788 -1.254
251 HD2 HIS 35 HD2 HIS 35 -1.551 -2.766 -1.532
252 HE1 HIS 35 HE1 HIS 35 -4.708 -5.533 -0.918
253 H THR 36 H THR 36 2.537 -4.743 -1.387
254 HA THR 36 HA THR 36 4.273 -7.113 -1.264
255 HB THR 36 HB THR 36 3.542 -6.884 -3.586
256 HG1 THR 36 HG1 THR 36 6.195 -6.436 -2.826
257 HG21 THR 36 3HG2 THR 36 4.028 -4.070 -3.054
258 HG22 THR 36 1HG2 THR 36 3.079 -4.827 -4.333
259 HG23 THR 36 2HG2 THR 36 4.818 -4.613 -4.534
260 H GLY 37 H GLY 37 6.396 -6.738 -0.732
261 HA2 GLY 37 1HA GLY 37 8.149 -4.850 -0.862
262 HA3 GLY 37 2HA GLY 37 6.994 -3.994 0.149
263 H GLY 38 H GLY 38 6.196 -5.698 2.006
264 HA2 GLY 38 1HA GLY 38 8.083 -5.736 3.952
265 HA3 GLY 38 2HA GLY 38 6.794 -6.929 3.868
266 H LYS 39 H LYS 39 7.204 -8.922 2.739
267 HA LYS 39 HA LYS 39 9.467 -10.254 3.458
268 HB2 LYS 39 1HB LYS 39 7.660 -10.684 1.084
269 HB3 LYS 39 2HB LYS 39 8.961 -11.797 1.486
270 HG2 LYS 39 1HG LYS 39 7.898 -11.989 3.778
271 HG3 LYS 39 2HG LYS 39 6.504 -11.155 3.087
272 HD2 LYS 39 1HD LYS 39 6.180 -12.902 1.477
273 HD3 LYS 39 2HD LYS 39 7.690 -13.684 1.950
274 HE2 LYS 39 1HE LYS 39 5.274 -13.324 3.720
275 HE3 LYS 39 2HE LYS 39 5.716 -14.814 2.888
276 HZ1 LYS 39 3HZ LYS 39 7.961 -14.032 4.286
277 HZ2 LYS 39 1HZ LYS 39 6.926 -15.318 4.657
278 HZ3 LYS 39 2HZ LYS 39 6.671 -13.799 5.355
279 HA PRO 40 HA PRO 40 12.782 -8.753 0.982
280 HB2 PRO 40 1HB PRO 40 14.430 -10.907 1.108
281 HB3 PRO 40 2HB PRO 40 14.176 -9.811 2.471
282 HG2 PRO 40 1HG PRO 40 12.938 -12.483 1.933
283 HG3 PRO 40 2HG PRO 40 13.570 -11.829 3.455
284 HD2 PRO 40 1HD PRO 40 10.925 -11.876 2.878
285 HD3 PRO 40 2HD PRO 40 11.664 -10.599 3.865
286 H SER 41 H SER 41 11.711 -8.649 -1.045
287 HA SER 41 HA SER 41 10.995 -10.653 -2.747
288 HB2 SER 41 1HB SER 41 11.451 -9.079 -4.610
289 HB3 SER 41 2HB SER 41 10.608 -8.302 -3.270
290 HG SER 41 HG SER 41 13.391 -8.229 -3.237
291 H GLY 42 H GLY 42 14.185 -9.802 -1.770
292 HA2 GLY 42 1HA GLY 42 15.899 -11.512 -2.043
293 HA3 GLY 42 2HA GLY 42 15.252 -11.814 -3.648
294 HA PRO 43 HA PRO 43 18.459 -8.173 -3.414
295 HB2 PRO 43 1HB PRO 43 20.846 -9.399 -3.005
296 HB3 PRO 43 2HB PRO 43 19.861 -8.751 -1.688
297 HG2 PRO 43 1HG PRO 43 20.106 -11.572 -2.658
298 HG3 PRO 43 2HG PRO 43 20.060 -10.961 -0.994
299 HD2 PRO 43 1HD PRO 43 17.897 -12.048 -2.206
300 HD3 PRO 43 2HD PRO 43 17.765 -10.753 -0.999
301 H SER 44 H SER 44 18.012 -8.088 -5.621
302 HA SER 44 HA SER 44 19.655 -9.843 -7.327
303 HB2 SER 44 1HB SER 44 16.967 -8.563 -7.825
304 HB3 SER 44 2HB SER 44 17.957 -9.215 -9.131
305 HG SER 44 HG SER 44 16.998 -11.018 -8.625
306 H SER 45 H SER 45 21.432 -8.362 -7.020
307 HA SER 45 HA SER 45 21.133 -5.715 -8.215
308 HB2 SER 45 1HB SER 45 22.387 -6.159 -6.020
309 HB3 SER 45 2HB SER 45 23.662 -6.849 -7.025
310 HG SER 45 HG SER 45 23.251 -4.307 -6.464
311 H GLY 46 H GLY 46 21.348 -5.586 -10.348
312 HA2 GLY 46 1HA GLY 46 23.225 -7.419 -11.690
313 HA3 GLY 46 2HA GLY 46 21.861 -6.623 -12.463
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -31.857 -1.281 6.387
2 HA2 GLY 1 1HA GLY 1 -31.288 -0.381 8.847
3 HA3 GLY 1 2HA GLY 1 -30.155 -1.716 8.700
4 H SER 2 H SER 2 -31.137 1.363 7.288
5 HA SER 2 HA SER 2 -28.447 1.591 6.104
6 HB2 SER 2 1HB SER 2 -30.965 3.017 5.216
7 HB3 SER 2 2HB SER 2 -29.390 3.074 4.426
8 HG SER 2 HG SER 2 -29.666 0.700 4.244
9 H SER 3 H SER 3 -31.087 3.707 7.241
10 HA SER 3 HA SER 3 -31.085 5.601 8.501
11 HB2 SER 3 1HB SER 3 -28.551 4.306 9.501
12 HB3 SER 3 2HB SER 3 -29.130 5.844 10.141
13 HG SER 3 HG SER 3 -29.942 3.368 10.745
14 H GLY 4 H GLY 4 -30.232 5.859 5.871
15 HA2 GLY 4 1HA GLY 4 -29.188 7.339 4.461
16 HA3 GLY 4 2HA GLY 4 -29.088 8.403 5.857
17 H SER 5 H SER 5 -27.333 6.674 3.601
18 HA SER 5 HA SER 5 -24.890 6.942 5.224
19 HB2 SER 5 1HB SER 5 -25.769 4.685 3.450
20 HB3 SER 5 2HB SER 5 -24.051 4.998 3.696
21 HG SER 5 HG SER 5 -25.979 4.490 5.718
22 H SER 6 H SER 6 -23.550 8.397 4.411
23 HA SER 6 HA SER 6 -22.780 8.467 1.687
24 HB2 SER 6 1HB SER 6 -24.888 10.375 2.592
25 HB3 SER 6 2HB SER 6 -23.637 10.978 1.505
26 HG SER 6 HG SER 6 -25.607 9.036 1.060
27 H GLY 7 H GLY 7 -21.181 10.152 1.247
28 HA2 GLY 7 1HA GLY 7 -20.101 11.421 3.674
29 HA3 GLY 7 2HA GLY 7 -19.056 10.420 2.677
30 H THR 8 H THR 8 -18.404 13.038 3.195
31 HA THR 8 HA THR 8 -18.790 14.280 0.551
32 HB THR 8 HB THR 8 -18.597 15.752 3.186
33 HG1 THR 8 HG1 THR 8 -20.667 14.594 2.272
34 HG21 THR 8 3HG2 THR 8 -17.701 16.708 0.865
35 HG22 THR 8 1HG2 THR 8 -18.530 17.725 2.043
36 HG23 THR 8 2HG2 THR 8 -19.412 17.079 0.659
37 H GLY 9 H GLY 9 -16.881 13.925 -0.429
38 HA2 GLY 9 1HA GLY 9 -14.581 15.349 0.342
39 HA3 GLY 9 2HA GLY 9 -14.393 13.674 0.840
40 H GLU 10 H GLU 10 -12.782 15.063 -1.074
41 HA GLU 10 HA GLU 10 -13.472 13.576 -3.524
42 HB2 GLU 10 1HB GLU 10 -13.391 16.175 -3.541
43 HB3 GLU 10 2HB GLU 10 -11.646 15.959 -3.505
44 HG2 GLU 10 1HG GLU 10 -13.442 14.730 -5.580
45 HG3 GLU 10 2HG GLU 10 -12.623 16.279 -5.775
46 H LYS 11 H LYS 11 -12.376 11.704 -2.877
47 HA LYS 11 HA LYS 11 -9.453 11.969 -2.630
48 HB2 LYS 11 1HB LYS 11 -11.164 9.624 -1.789
49 HB3 LYS 11 2HB LYS 11 -9.449 9.848 -1.467
50 HG2 LYS 11 1HG LYS 11 -9.837 11.500 0.123
51 HG3 LYS 11 2HG LYS 11 -11.472 11.813 -0.463
52 HD2 LYS 11 1HD LYS 11 -11.809 9.279 0.230
53 HD3 LYS 11 2HD LYS 11 -10.462 9.647 1.309
54 HE2 LYS 11 1HE LYS 11 -12.337 10.140 2.596
55 HE3 LYS 11 2HE LYS 11 -11.841 11.714 1.977
56 HZ1 LYS 11 3HZ LYS 11 -13.993 10.016 0.833
57 HZ2 LYS 11 1HZ LYS 11 -13.527 11.539 0.263
58 HZ3 LYS 11 2HZ LYS 11 -14.231 11.388 1.793
59 HA PRO 12 HA PRO 12 -10.000 10.149 -6.797
60 HB2 PRO 12 1HB PRO 12 -7.722 11.238 -7.795
61 HB3 PRO 12 2HB PRO 12 -9.255 12.114 -7.726
62 HG2 PRO 12 1HG PRO 12 -6.909 12.254 -5.872
63 HG3 PRO 12 2HG PRO 12 -7.901 13.572 -6.523
64 HD2 PRO 12 1HD PRO 12 -8.238 12.594 -4.020
65 HD3 PRO 12 2HD PRO 12 -9.584 13.234 -4.985
66 H TYR 13 H TYR 13 -7.518 10.001 -4.400
67 HA TYR 13 HA TYR 13 -5.948 8.005 -5.779
68 HB2 TYR 13 1HB TYR 13 -5.739 8.756 -2.865
69 HB3 TYR 13 2HB TYR 13 -4.495 8.061 -3.898
70 HD1 TYR 13 HD1 TYR 13 -3.336 9.455 -5.558
71 HD2 TYR 13 HD2 TYR 13 -6.188 11.118 -2.873
72 HE1 TYR 13 HE1 TYR 13 -2.498 11.710 -6.073
73 HE2 TYR 13 HE2 TYR 13 -5.359 13.377 -3.381
74 HH TYR 13 HH TYR 13 -3.759 14.227 -5.892
75 H LYS 14 H LYS 14 -6.822 6.051 -6.016
76 HA LYS 14 HA LYS 14 -7.903 4.727 -3.624
77 HB2 LYS 14 1HB LYS 14 -9.875 5.203 -4.802
78 HB3 LYS 14 2HB LYS 14 -9.126 4.895 -6.363
79 HG2 LYS 14 1HG LYS 14 -9.156 2.550 -6.013
80 HG3 LYS 14 2HG LYS 14 -9.603 2.746 -4.317
81 HD2 LYS 14 1HD LYS 14 -11.778 3.483 -4.875
82 HD3 LYS 14 2HD LYS 14 -11.343 3.721 -6.569
83 HE2 LYS 14 1HE LYS 14 -11.215 1.016 -5.275
84 HE3 LYS 14 2HE LYS 14 -12.716 1.643 -5.954
85 HZ1 LYS 14 3HZ LYS 14 -10.628 0.389 -7.299
86 HZ2 LYS 14 1HZ LYS 14 -10.641 2.000 -7.817
87 HZ3 LYS 14 2HZ LYS 14 -12.036 1.054 -7.960
88 H CYS 15 H CYS 15 -7.380 2.587 -3.380
89 HA CYS 15 HA CYS 15 -5.177 1.631 -4.988
90 HB2 CYS 15 1HB CYS 15 -5.182 1.387 -2.522
91 HB3 CYS 15 2HB CYS 15 -6.575 0.317 -2.648
92 H ASN 16 H ASN 16 -5.316 0.263 -6.639
93 HA ASN 16 HA ASN 16 -7.906 -0.912 -7.277
94 HB2 ASN 16 1HB ASN 16 -5.346 -0.582 -8.839
95 HB3 ASN 16 2HB ASN 16 -6.699 -1.538 -9.438
96 HD21 ASN 16 1HD2 ASN 16 -7.919 -0.485 -10.808
97 HD22 ASN 16 2HD2 ASN 16 -8.260 1.209 -10.785
98 H GLU 17 H GLU 17 -5.813 -1.871 -5.207
99 HA GLU 17 HA GLU 17 -5.455 -4.609 -6.204
100 HB2 GLU 17 1HB GLU 17 -4.283 -3.478 -3.670
101 HB3 GLU 17 2HB GLU 17 -3.763 -4.896 -4.570
102 HG2 GLU 17 1HG GLU 17 -3.484 -2.023 -5.414
103 HG3 GLU 17 2HG GLU 17 -2.195 -3.110 -4.901
104 H CYS 18 H CYS 18 -6.520 -2.871 -3.284
105 HA CYS 18 HA CYS 18 -8.093 -5.246 -2.540
106 HB2 CYS 18 1HB CYS 18 -8.080 -4.331 -0.245
107 HB3 CYS 18 2HB CYS 18 -6.453 -4.624 -0.851
108 H GLY 19 H GLY 19 -8.200 -1.693 -2.635
109 HA2 GLY 19 1HA GLY 19 -10.258 -0.817 -3.770
110 HA3 GLY 19 2HA GLY 19 -11.149 -1.891 -2.700
111 H LYS 20 H LYS 20 -8.346 0.002 -1.749
112 HA LYS 20 HA LYS 20 -10.027 1.387 0.209
113 HB2 LYS 20 1HB LYS 20 -7.096 0.781 0.029
114 HB3 LYS 20 2HB LYS 20 -7.657 2.093 1.058
115 HG2 LYS 20 1HG LYS 20 -9.156 0.459 2.199
116 HG3 LYS 20 2HG LYS 20 -8.380 -0.820 1.262
117 HD2 LYS 20 1HD LYS 20 -7.100 -0.900 3.153
118 HD3 LYS 20 2HD LYS 20 -6.185 0.295 2.230
119 HE2 LYS 20 1HE LYS 20 -8.366 1.096 4.132
120 HE3 LYS 20 2HE LYS 20 -6.715 0.818 4.683
121 HZ1 LYS 20 3HZ LYS 20 -6.391 2.944 4.157
122 HZ2 LYS 20 1HZ LYS 20 -7.808 3.045 3.238
123 HZ3 LYS 20 2HZ LYS 20 -6.389 2.443 2.541
124 H VAL 21 H VAL 21 -9.115 3.680 0.753
125 HA VAL 21 HA VAL 21 -8.361 5.132 -1.673
126 HB VAL 21 HB VAL 21 -10.634 6.117 0.037
127 HG11 VAL 21 1HG1 VAL 21 -11.066 7.591 -1.833
128 HG12 VAL 21 2HG1 VAL 21 -9.387 7.762 -1.314
129 HG13 VAL 21 3HG1 VAL 21 -9.774 6.833 -2.763
130 HG21 VAL 21 3HG2 VAL 21 -12.217 5.219 -1.462
131 HG22 VAL 21 1HG2 VAL 21 -10.971 4.757 -2.622
132 HG23 VAL 21 2HG2 VAL 21 -11.115 3.892 -1.092
133 H PHE 22 H PHE 22 -7.508 7.244 -1.277
134 HA PHE 22 HA PHE 22 -6.954 7.949 1.500
135 HB2 PHE 22 1HB PHE 22 -4.729 7.709 -0.532
136 HB3 PHE 22 2HB PHE 22 -4.572 8.122 1.172
137 HD1 PHE 22 HD2 PHE 22 -5.233 5.419 -1.218
138 HD2 PHE 22 HD1 PHE 22 -4.607 6.436 2.867
139 HE1 PHE 22 HE2 PHE 22 -4.923 3.039 -0.677
140 HE2 PHE 22 HE1 PHE 22 -4.295 4.057 3.415
141 HZ PHE 22 HZ PHE 22 -4.454 2.355 1.642
142 H THR 23 H THR 23 -6.298 10.132 1.794
143 HA THR 23 HA THR 23 -7.273 11.883 -0.321
144 HB THR 23 HB THR 23 -8.091 12.233 1.981
145 HG1 THR 23 HG1 THR 23 -6.696 14.190 0.549
146 HG21 THR 23 3HG2 THR 23 -6.090 13.571 3.295
147 HG22 THR 23 1HG2 THR 23 -5.220 12.233 2.546
148 HG23 THR 23 2HG2 THR 23 -6.585 11.909 3.615
149 H GLN 24 H GLN 24 -4.487 10.480 -0.010
150 HA GLN 24 HA GLN 24 -3.016 12.667 -1.188
151 HB2 GLN 24 1HB GLN 24 -2.238 11.485 1.472
152 HB3 GLN 24 2HB GLN 24 -1.068 12.273 0.422
153 HG2 GLN 24 1HG GLN 24 -2.817 14.225 0.463
154 HG3 GLN 24 2HG GLN 24 -3.328 13.442 1.958
155 HE21 GLN 24 1HE2 GLN 24 -2.546 15.789 2.479
156 HE22 GLN 24 2HE2 GLN 24 -0.921 15.888 3.058
157 H ASN 25 H ASN 25 -1.290 11.992 -2.445
158 HA ASN 25 HA ASN 25 -1.396 9.329 -3.397
159 HB2 ASN 25 1HB ASN 25 -0.731 11.214 -4.825
160 HB3 ASN 25 2HB ASN 25 0.716 11.449 -3.850
161 HD21 ASN 25 1HD2 ASN 25 -0.959 9.071 -5.851
162 HD22 ASN 25 2HD2 ASN 25 0.470 8.303 -6.446
163 H SER 26 H SER 26 0.579 10.948 -1.023
164 HA SER 26 HA SER 26 2.697 9.109 -0.870
165 HB2 SER 26 1HB SER 26 1.557 10.794 1.372
166 HB3 SER 26 2HB SER 26 3.172 10.089 1.309
167 HG SER 26 HG SER 26 2.551 12.442 0.505
168 H HIS 27 H HIS 27 -0.236 9.371 1.141
169 HA HIS 27 HA HIS 27 0.185 7.119 2.716
170 HB2 HIS 27 1HB HIS 27 -2.507 8.117 1.773
171 HB3 HIS 27 2HB HIS 27 -2.168 7.203 3.239
172 HD1 HIS 27 HD1 HIS 27 -3.516 10.088 3.079
173 HD2 HIS 27 HD2 HIS 27 0.431 9.253 4.074
174 HE1 HIS 27 HE1 HIS 27 -2.732 12.057 4.432
175 H LEU 28 H LEU 28 -1.358 7.410 -0.450
176 HA LEU 28 HA LEU 28 -2.229 4.722 -0.621
177 HB2 LEU 28 1HB LEU 28 -3.260 6.294 -2.045
178 HB3 LEU 28 2HB LEU 28 -1.711 6.855 -2.672
179 HG LEU 28 HG LEU 28 -1.430 4.753 -3.881
180 HD11 LEU 28 1HD1 LEU 28 -2.684 2.925 -3.578
181 HD12 LEU 28 2HD1 LEU 28 -4.184 3.847 -3.491
182 HD13 LEU 28 3HD1 LEU 28 -3.161 3.692 -2.063
183 HD21 LEU 28 3HD2 LEU 28 -2.825 6.785 -4.718
184 HD22 LEU 28 1HD2 LEU 28 -4.190 5.682 -4.549
185 HD23 LEU 28 2HD2 LEU 28 -2.853 5.271 -5.623
186 H ALA 29 H ALA 29 0.742 6.365 -1.555
187 HA ALA 29 HA ALA 29 1.880 4.208 -2.997
188 HB1 ALA 29 3HB ALA 29 3.571 5.624 -3.379
189 HB2 ALA 29 1HB ALA 29 2.544 6.827 -2.598
190 HB3 ALA 29 2HB ALA 29 3.782 5.984 -1.666
191 H ARG 30 H ARG 30 2.333 5.335 0.349
192 HA ARG 30 HA ARG 30 4.142 3.289 1.081
193 HB2 ARG 30 1HB ARG 30 3.895 4.064 3.312
194 HB3 ARG 30 2HB ARG 30 3.771 5.483 2.281
195 HG2 ARG 30 1HG ARG 30 1.338 5.424 2.485
196 HG3 ARG 30 2HG ARG 30 1.461 3.997 3.515
197 HD2 ARG 30 1HD ARG 30 2.610 6.721 4.114
198 HD3 ARG 30 2HD ARG 30 1.157 6.031 4.836
199 HE ARG 30 HE ARG 30 3.549 4.451 5.181
200 HH11 ARG 30 1HH1 ARG 30 1.518 6.961 6.484
201 HH12 ARG 30 2HH1 ARG 30 2.075 6.748 8.110
202 HH21 ARG 30 1HH2 ARG 30 4.290 4.161 7.318
203 HH22 ARG 30 2HH2 ARG 30 3.653 5.156 8.584
204 H HIS 31 H HIS 31 0.648 3.516 1.081
205 HA HIS 31 HA HIS 31 0.085 1.301 2.722
206 HB2 HIS 31 1HB HIS 31 -1.750 2.683 2.327
207 HB3 HIS 31 2HB HIS 31 -1.440 2.767 0.595
208 HD1 HIS 31 HD1 HIS 31 -2.456 0.095 3.115
209 HD2 HIS 31 HD2 HIS 31 -3.131 1.218 -0.827
210 HE1 HIS 31 HE1 HIS 31 -4.171 -1.522 2.240
211 H ARG 32 H ARG 32 0.343 1.560 -0.818
212 HA ARG 32 HA ARG 32 -0.290 -0.911 -1.675
213 HB2 ARG 32 1HB ARG 32 1.986 0.874 -2.494
214 HB3 ARG 32 2HB ARG 32 1.709 -0.665 -3.297
215 HG2 ARG 32 1HG ARG 32 -0.577 0.078 -3.860
216 HG3 ARG 32 2HG ARG 32 -0.213 1.645 -3.135
217 HD2 ARG 32 1HD ARG 32 0.165 1.979 -5.413
218 HD3 ARG 32 2HD ARG 32 1.777 1.710 -4.750
219 HE ARG 32 HE ARG 32 0.488 -0.667 -5.749
220 HH11 ARG 32 1HH1 ARG 32 2.517 2.057 -6.515
221 HH12 ARG 32 2HH1 ARG 32 3.251 1.291 -7.884
222 HH21 ARG 32 1HH2 ARG 32 1.447 -1.686 -7.550
223 HH22 ARG 32 2HH2 ARG 32 2.641 -0.838 -8.473
224 H ARG 33 H ARG 33 2.467 -0.084 0.280
225 HA ARG 33 HA ARG 33 4.126 -2.261 -0.088
226 HB2 ARG 33 1HB ARG 33 3.510 -0.714 2.431
227 HB3 ARG 33 2HB ARG 33 4.809 -1.893 2.308
228 HG2 ARG 33 1HG ARG 33 4.574 0.549 0.565
229 HG3 ARG 33 2HG ARG 33 5.537 0.465 2.042
230 HD2 ARG 33 1HD ARG 33 6.622 -1.603 0.926
231 HD3 ARG 33 2HD ARG 33 5.940 -0.954 -0.564
232 HE ARG 33 HE ARG 33 7.592 0.615 -0.566
233 HH11 ARG 33 1HH1 ARG 33 7.239 -0.620 2.670
234 HH12 ARG 33 2HH1 ARG 33 8.592 0.264 3.295
235 HH21 ARG 33 1HH2 ARG 33 9.375 1.784 0.245
236 HH22 ARG 33 2HH2 ARG 33 9.806 1.631 1.915
237 H VAL 34 H VAL 34 1.373 -1.963 2.142
238 HA VAL 34 HA VAL 34 1.470 -4.319 3.496
239 HB VAL 34 HB VAL 34 -0.955 -4.277 3.664
240 HG11 VAL 34 1HG1 VAL 34 -1.034 -1.568 3.963
241 HG12 VAL 34 2HG1 VAL 34 -0.377 -2.698 5.149
242 HG13 VAL 34 3HG1 VAL 34 0.700 -1.886 4.011
243 HG21 VAL 34 3HG2 VAL 34 -0.866 -3.319 1.057
244 HG22 VAL 34 1HG2 VAL 34 -2.301 -3.515 2.062
245 HG23 VAL 34 2HG2 VAL 34 -1.469 -1.962 2.008
246 H HIS 35 H HIS 35 0.962 -3.910 0.117
247 HA HIS 35 HA HIS 35 -0.023 -6.640 -0.215
248 HB2 HIS 35 1HB HIS 35 0.367 -4.380 -2.184
249 HB3 HIS 35 2HB HIS 35 -0.183 -5.990 -2.638
250 HD1 HIS 35 HD1 HIS 35 -2.484 -6.747 -1.333
251 HD2 HIS 35 HD2 HIS 35 -1.644 -2.684 -1.546
252 HE1 HIS 35 HE1 HIS 35 -4.667 -5.585 -0.875
253 H THR 36 H THR 36 2.464 -4.665 -1.843
254 HA THR 36 HA THR 36 3.920 -6.947 -2.725
255 HB THR 36 HB THR 36 4.203 -5.074 -4.094
256 HG1 THR 36 HG1 THR 36 6.527 -4.406 -3.478
257 HG21 THR 36 3HG2 THR 36 4.655 -3.545 -1.545
258 HG22 THR 36 1HG2 THR 36 3.425 -3.283 -2.781
259 HG23 THR 36 2HG2 THR 36 5.111 -2.890 -3.117
260 H GLY 37 H GLY 37 4.482 -8.203 -0.951
261 HA2 GLY 37 1HA GLY 37 6.930 -7.966 0.190
262 HA3 GLY 37 2HA GLY 37 5.900 -7.058 1.287
263 H GLY 38 H GLY 38 5.776 -10.178 -0.450
264 HA2 GLY 38 1HA GLY 38 6.016 -12.151 1.120
265 HA3 GLY 38 2HA GLY 38 4.738 -11.374 2.042
266 H LYS 39 H LYS 39 2.683 -11.856 1.572
267 HA LYS 39 HA LYS 39 2.144 -13.871 -0.393
268 HB2 LYS 39 1HB LYS 39 1.006 -13.629 1.867
269 HB3 LYS 39 2HB LYS 39 0.106 -12.288 1.170
270 HG2 LYS 39 1HG LYS 39 -0.969 -13.707 -0.394
271 HG3 LYS 39 2HG LYS 39 0.106 -15.053 -0.009
272 HD2 LYS 39 1HD LYS 39 -1.945 -15.500 1.090
273 HD3 LYS 39 2HD LYS 39 -0.821 -14.960 2.339
274 HE2 LYS 39 1HE LYS 39 -1.818 -12.617 1.883
275 HE3 LYS 39 2HE LYS 39 -3.135 -13.503 1.116
276 HZ1 LYS 39 3HZ LYS 39 -2.658 -13.071 3.866
277 HZ2 LYS 39 1HZ LYS 39 -2.672 -14.733 3.552
278 HZ3 LYS 39 2HZ LYS 39 -4.000 -13.780 3.120
279 HA PRO 40 HA PRO 40 1.267 -11.159 -3.775
280 HB2 PRO 40 1HB PRO 40 0.047 -12.980 -5.377
281 HB3 PRO 40 2HB PRO 40 1.796 -12.940 -5.127
282 HG2 PRO 40 1HG PRO 40 -0.260 -14.695 -3.843
283 HG3 PRO 40 2HG PRO 40 1.343 -15.123 -4.469
284 HD2 PRO 40 1HD PRO 40 0.862 -14.745 -1.831
285 HD3 PRO 40 2HD PRO 40 2.422 -14.356 -2.582
286 H SER 41 H SER 41 -1.337 -13.450 -2.918
287 HA SER 41 HA SER 41 -3.216 -11.458 -2.274
288 HB2 SER 41 1HB SER 41 -3.062 -11.070 -4.752
289 HB3 SER 41 2HB SER 41 -3.683 -12.702 -4.992
290 HG SER 41 HG SER 41 -5.041 -10.763 -3.442
291 H GLY 42 H GLY 42 -5.537 -12.440 -2.318
292 HA2 GLY 42 1HA GLY 42 -6.941 -14.064 -1.505
293 HA3 GLY 42 2HA GLY 42 -5.951 -15.205 -2.403
294 HA PRO 43 HA PRO 43 -5.323 -15.346 2.371
295 HB2 PRO 43 1HB PRO 43 -7.254 -17.106 3.107
296 HB3 PRO 43 2HB PRO 43 -7.497 -15.355 3.114
297 HG2 PRO 43 1HG PRO 43 -8.326 -17.375 1.065
298 HG3 PRO 43 2HG PRO 43 -9.239 -16.001 1.715
299 HD2 PRO 43 1HD PRO 43 -7.992 -15.915 -0.686
300 HD3 PRO 43 2HD PRO 43 -8.173 -14.483 0.347
301 H SER 44 H SER 44 -5.955 -17.607 -0.181
302 HA SER 44 HA SER 44 -5.262 -19.753 -0.584
303 HB2 SER 44 1HB SER 44 -2.804 -20.070 -0.182
304 HB3 SER 44 2HB SER 44 -3.204 -18.583 -1.042
305 HG SER 44 HG SER 44 -2.502 -18.887 1.685
306 H SER 45 H SER 45 -6.766 -19.603 1.763
307 HA SER 45 HA SER 45 -5.370 -21.451 3.579
308 HB2 SER 45 1HB SER 45 -7.794 -19.712 4.097
309 HB3 SER 45 2HB SER 45 -7.045 -20.793 5.271
310 HG SER 45 HG SER 45 -6.362 -18.285 4.625
311 H GLY 46 H GLY 46 -6.898 -23.034 4.693
312 HA2 GLY 46 1HA GLY 46 -9.228 -23.849 3.206
313 HA3 GLY 46 2HA GLY 46 -7.850 -24.914 2.976
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -21.314 -1.224 16.684
2 HA2 GLY 1 1HA GLY 1 -22.920 1.092 16.187
3 HA3 GLY 1 2HA GLY 1 -21.846 1.325 17.558
4 H SER 2 H SER 2 -19.517 0.919 17.163
5 HA SER 2 HA SER 2 -17.618 1.563 16.077
6 HB2 SER 2 1HB SER 2 -19.002 0.167 13.774
7 HB3 SER 2 2HB SER 2 -17.283 0.552 13.850
8 HG SER 2 HG SER 2 -18.643 -1.516 14.970
9 H SER 3 H SER 3 -19.491 3.599 16.245
10 HA SER 3 HA SER 3 -19.413 4.910 13.620
11 HB2 SER 3 1HB SER 3 -21.615 4.783 14.736
12 HB3 SER 3 2HB SER 3 -20.961 5.679 16.107
13 HG SER 3 HG SER 3 -21.737 7.290 14.949
14 H GLY 4 H GLY 4 -17.492 5.904 13.386
15 HA2 GLY 4 1HA GLY 4 -16.877 8.077 15.221
16 HA3 GLY 4 2HA GLY 4 -15.663 6.811 15.106
17 H SER 5 H SER 5 -14.865 9.278 14.473
18 HA SER 5 HA SER 5 -15.232 10.045 11.780
19 HB2 SER 5 1HB SER 5 -14.421 11.679 13.335
20 HB3 SER 5 2HB SER 5 -13.043 10.669 13.770
21 HG SER 5 HG SER 5 -12.769 12.484 12.165
22 H SER 6 H SER 6 -14.629 8.950 10.045
23 HA SER 6 HA SER 6 -12.037 7.557 10.086
24 HB2 SER 6 1HB SER 6 -12.920 5.650 9.004
25 HB3 SER 6 2HB SER 6 -14.091 6.024 10.269
26 HG SER 6 HG SER 6 -14.910 7.392 8.245
27 H GLY 7 H GLY 7 -10.907 7.491 8.121
28 HA2 GLY 7 1HA GLY 7 -11.722 9.597 6.247
29 HA3 GLY 7 2HA GLY 7 -10.100 8.943 6.420
30 H THR 8 H THR 8 -13.368 7.778 5.592
31 HA THR 8 HA THR 8 -12.157 6.331 3.327
32 HB THR 8 HB THR 8 -14.478 5.349 4.999
33 HG1 THR 8 HG1 THR 8 -11.754 4.514 4.890
34 HG21 THR 8 3HG2 THR 8 -13.686 3.198 3.646
35 HG22 THR 8 1HG2 THR 8 -13.191 4.429 2.485
36 HG23 THR 8 2HG2 THR 8 -14.876 4.326 2.997
37 H GLY 9 H GLY 9 -12.709 8.118 1.978
38 HA2 GLY 9 1HA GLY 9 -15.580 8.166 1.298
39 HA3 GLY 9 2HA GLY 9 -14.660 9.658 1.423
40 H GLU 10 H GLU 10 -15.412 9.974 -0.803
41 HA GLU 10 HA GLU 10 -14.152 8.286 -2.815
42 HB2 GLU 10 1HB GLU 10 -15.464 9.517 -4.431
43 HB3 GLU 10 2HB GLU 10 -16.501 9.015 -3.103
44 HG2 GLU 10 1HG GLU 10 -16.077 11.346 -2.139
45 HG3 GLU 10 2HG GLU 10 -15.472 11.752 -3.744
46 H LYS 11 H LYS 11 -12.143 8.705 -3.422
47 HA LYS 11 HA LYS 11 -11.345 11.476 -3.903
48 HB2 LYS 11 1HB LYS 11 -10.040 9.576 -1.992
49 HB3 LYS 11 2HB LYS 11 -9.048 10.738 -2.863
50 HG2 LYS 11 1HG LYS 11 -11.440 11.516 -1.216
51 HG3 LYS 11 2HG LYS 11 -9.794 11.451 -0.581
52 HD2 LYS 11 1HD LYS 11 -10.445 13.041 -3.040
53 HD3 LYS 11 2HD LYS 11 -10.701 13.712 -1.427
54 HE2 LYS 11 1HE LYS 11 -8.366 13.404 -0.888
55 HE3 LYS 11 2HE LYS 11 -8.084 12.594 -2.428
56 HZ1 LYS 11 3HZ LYS 11 -8.046 15.356 -1.852
57 HZ2 LYS 11 1HZ LYS 11 -9.233 15.046 -3.017
58 HZ3 LYS 11 2HZ LYS 11 -7.634 14.567 -3.290
59 HA PRO 12 HA PRO 12 -9.400 9.894 -7.504
60 HB2 PRO 12 1HB PRO 12 -7.210 11.484 -7.718
61 HB3 PRO 12 2HB PRO 12 -8.850 12.060 -8.038
62 HG2 PRO 12 1HG PRO 12 -7.176 12.380 -5.576
63 HG3 PRO 12 2HG PRO 12 -8.202 13.573 -6.394
64 HD2 PRO 12 1HD PRO 12 -8.998 12.247 -4.172
65 HD3 PRO 12 2HD PRO 12 -10.133 12.753 -5.440
66 H TYR 13 H TYR 13 -7.833 9.729 -4.479
67 HA TYR 13 HA TYR 13 -5.634 8.112 -5.550
68 HB2 TYR 13 1HB TYR 13 -6.021 9.077 -2.713
69 HB3 TYR 13 2HB TYR 13 -4.561 8.381 -3.408
70 HD1 TYR 13 HD1 TYR 13 -3.435 9.681 -5.320
71 HD2 TYR 13 HD2 TYR 13 -6.346 11.389 -2.728
72 HE1 TYR 13 HE1 TYR 13 -2.647 11.930 -5.927
73 HE2 TYR 13 HE2 TYR 13 -5.566 13.643 -3.329
74 HH TYR 13 HH TYR 13 -2.689 14.146 -5.232
75 H LYS 14 H LYS 14 -6.446 6.113 -5.921
76 HA LYS 14 HA LYS 14 -7.507 4.674 -3.585
77 HB2 LYS 14 1HB LYS 14 -9.471 4.840 -4.777
78 HB3 LYS 14 2HB LYS 14 -8.650 4.887 -6.331
79 HG2 LYS 14 1HG LYS 14 -8.220 2.510 -6.215
80 HG3 LYS 14 2HG LYS 14 -8.941 2.436 -4.605
81 HD2 LYS 14 1HD LYS 14 -10.579 3.574 -6.807
82 HD3 LYS 14 2HD LYS 14 -10.313 1.829 -6.797
83 HE2 LYS 14 1HE LYS 14 -12.179 1.900 -5.502
84 HE3 LYS 14 2HE LYS 14 -10.973 2.142 -4.240
85 HZ1 LYS 14 3HZ LYS 14 -12.375 3.857 -3.793
86 HZ2 LYS 14 1HZ LYS 14 -12.857 4.055 -5.402
87 HZ3 LYS 14 2HZ LYS 14 -11.355 4.641 -4.891
88 H CYS 15 H CYS 15 -7.023 2.445 -3.493
89 HA CYS 15 HA CYS 15 -4.543 1.760 -4.833
90 HB2 CYS 15 1HB CYS 15 -4.789 1.331 -2.423
91 HB3 CYS 15 2HB CYS 15 -6.135 0.245 -2.753
92 H ASN 16 H ASN 16 -4.417 0.569 -6.612
93 HA ASN 16 HA ASN 16 -6.805 -0.675 -7.682
94 HB2 ASN 16 1HB ASN 16 -4.017 -0.289 -8.778
95 HB3 ASN 16 2HB ASN 16 -5.271 -1.174 -9.642
96 HD21 ASN 16 1HD2 ASN 16 -3.782 1.477 -9.991
97 HD22 ASN 16 2HD2 ASN 16 -5.043 2.598 -10.362
98 H GLU 17 H GLU 17 -5.139 -1.718 -5.316
99 HA GLU 17 HA GLU 17 -4.577 -4.408 -6.359
100 HB2 GLU 17 1HB GLU 17 -3.804 -3.407 -3.629
101 HB3 GLU 17 2HB GLU 17 -3.122 -4.751 -4.535
102 HG2 GLU 17 1HG GLU 17 -2.874 -1.883 -5.396
103 HG3 GLU 17 2HG GLU 17 -1.687 -2.706 -4.386
104 H CYS 18 H CYS 18 -6.133 -2.741 -3.632
105 HA CYS 18 HA CYS 18 -7.793 -5.142 -3.223
106 HB2 CYS 18 1HB CYS 18 -8.090 -4.358 -0.893
107 HB3 CYS 18 2HB CYS 18 -6.404 -4.682 -1.282
108 H GLY 19 H GLY 19 -7.816 -1.589 -3.111
109 HA2 GLY 19 1HA GLY 19 -9.687 -0.605 -4.469
110 HA3 GLY 19 2HA GLY 19 -10.733 -1.697 -3.573
111 H LYS 20 H LYS 20 -8.046 -0.055 -2.067
112 HA LYS 20 HA LYS 20 -9.901 1.281 -0.269
113 HB2 LYS 20 1HB LYS 20 -6.972 0.686 -0.242
114 HB3 LYS 20 2HB LYS 20 -7.578 2.001 0.756
115 HG2 LYS 20 1HG LYS 20 -9.271 0.255 1.623
116 HG3 LYS 20 2HG LYS 20 -8.149 -0.927 0.944
117 HD2 LYS 20 1HD LYS 20 -6.481 -0.403 2.442
118 HD3 LYS 20 2HD LYS 20 -7.089 1.233 2.709
119 HE2 LYS 20 1HE LYS 20 -7.564 0.075 4.696
120 HE3 LYS 20 2HE LYS 20 -9.095 0.131 3.824
121 HZ1 LYS 20 3HZ LYS 20 -8.789 -2.057 4.677
122 HZ2 LYS 20 1HZ LYS 20 -7.236 -2.173 4.018
123 HZ3 LYS 20 2HZ LYS 20 -8.586 -2.134 3.000
124 H VAL 21 H VAL 21 -9.276 3.563 0.424
125 HA VAL 21 HA VAL 21 -8.277 5.167 -1.819
126 HB VAL 21 HB VAL 21 -10.799 5.905 -0.338
127 HG11 VAL 21 1HG1 VAL 21 -9.454 7.737 -1.331
128 HG12 VAL 21 2HG1 VAL 21 -9.644 6.973 -2.910
129 HG13 VAL 21 3HG1 VAL 21 -11.058 7.579 -2.047
130 HG21 VAL 21 3HG2 VAL 21 -12.087 5.147 -2.189
131 HG22 VAL 21 1HG2 VAL 21 -10.639 4.792 -3.131
132 HG23 VAL 21 2HG2 VAL 21 -11.033 3.815 -1.717
133 H PHE 22 H PHE 22 -7.507 7.247 -1.237
134 HA PHE 22 HA PHE 22 -7.295 7.815 1.626
135 HB2 PHE 22 1HB PHE 22 -4.917 7.757 -0.243
136 HB3 PHE 22 2HB PHE 22 -4.888 8.231 1.452
137 HD1 PHE 22 HD2 PHE 22 -5.431 5.394 -0.847
138 HD2 PHE 22 HD1 PHE 22 -4.731 6.624 3.167
139 HE1 PHE 22 HE2 PHE 22 -5.010 3.056 -0.208
140 HE2 PHE 22 HE1 PHE 22 -4.308 4.288 3.813
141 HZ PHE 22 HZ PHE 22 -4.449 2.500 2.125
142 H THR 23 H THR 23 -6.298 10.025 1.987
143 HA THR 23 HA THR 23 -7.558 11.886 0.128
144 HB THR 23 HB THR 23 -8.054 12.177 2.502
145 HG1 THR 23 HG1 THR 23 -7.070 14.067 0.871
146 HG21 THR 23 3HG2 THR 23 -6.512 12.048 4.111
147 HG22 THR 23 1HG2 THR 23 -5.513 13.276 3.334
148 HG23 THR 23 2HG2 THR 23 -5.351 11.583 2.867
149 H GLN 24 H GLN 24 -4.510 10.594 0.702
150 HA GLN 24 HA GLN 24 -3.263 12.775 -0.823
151 HB2 GLN 24 1HB GLN 24 -2.074 11.352 1.563
152 HB3 GLN 24 2HB GLN 24 -1.182 12.437 0.505
153 HG2 GLN 24 1HG GLN 24 -3.668 13.370 1.872
154 HG3 GLN 24 2HG GLN 24 -2.133 13.322 2.737
155 HE21 GLN 24 1HE2 GLN 24 -0.603 14.834 2.319
156 HE22 GLN 24 2HE2 GLN 24 -0.827 16.159 1.234
157 H ASN 25 H ASN 25 -1.338 12.127 -2.015
158 HA ASN 25 HA ASN 25 -1.709 9.567 -3.256
159 HB2 ASN 25 1HB ASN 25 -1.086 11.372 -4.690
160 HB3 ASN 25 2HB ASN 25 0.294 11.786 -3.678
161 HD21 ASN 25 1HD2 ASN 25 2.193 11.066 -4.306
162 HD22 ASN 25 2HD2 ASN 25 2.473 9.753 -5.394
163 H SER 26 H SER 26 0.798 11.061 -1.243
164 HA SER 26 HA SER 26 2.680 9.027 -1.275
165 HB2 SER 26 1HB SER 26 1.938 11.057 0.821
166 HB3 SER 26 2HB SER 26 3.233 9.891 1.095
167 HG SER 26 HG SER 26 3.601 12.120 0.005
168 H HIS 27 H HIS 27 0.092 9.519 1.130
169 HA HIS 27 HA HIS 27 0.483 7.299 2.694
170 HB2 HIS 27 1HB HIS 27 -2.228 8.345 1.861
171 HB3 HIS 27 2HB HIS 27 -1.844 7.458 3.333
172 HD1 HIS 27 HD1 HIS 27 -3.187 10.130 3.649
173 HD2 HIS 27 HD2 HIS 27 0.942 9.693 3.490
174 HE1 HIS 27 HE1 HIS 27 -2.251 12.170 4.782
175 H LEU 28 H LEU 28 -1.364 7.498 -0.328
176 HA LEU 28 HA LEU 28 -2.269 4.837 -0.350
177 HB2 LEU 28 1HB LEU 28 -3.365 6.282 -1.808
178 HB3 LEU 28 2HB LEU 28 -1.857 6.916 -2.463
179 HG LEU 28 HG LEU 28 -1.500 4.798 -3.656
180 HD11 LEU 28 1HD1 LEU 28 -3.525 3.272 -3.813
181 HD12 LEU 28 2HD1 LEU 28 -4.102 4.066 -2.348
182 HD13 LEU 28 3HD1 LEU 28 -2.574 3.186 -2.330
183 HD21 LEU 28 3HD2 LEU 28 -2.517 6.449 -4.965
184 HD22 LEU 28 1HD2 LEU 28 -4.051 6.316 -4.104
185 HD23 LEU 28 2HD2 LEU 28 -3.535 5.025 -5.190
186 H ALA 29 H ALA 29 0.575 6.340 -1.861
187 HA ALA 29 HA ALA 29 1.585 4.092 -3.155
188 HB1 ALA 29 3HB ALA 29 3.514 5.989 -1.933
189 HB2 ALA 29 1HB ALA 29 3.448 5.335 -3.570
190 HB3 ALA 29 2HB ALA 29 2.348 6.628 -3.092
191 H ARG 30 H ARG 30 2.355 5.316 0.102
192 HA ARG 30 HA ARG 30 4.134 3.252 0.792
193 HB2 ARG 30 1HB ARG 30 3.745 3.977 3.128
194 HB3 ARG 30 2HB ARG 30 4.084 5.321 2.045
195 HG2 ARG 30 1HG ARG 30 1.769 5.938 1.987
196 HG3 ARG 30 2HG ARG 30 1.319 4.496 2.901
197 HD2 ARG 30 1HD ARG 30 1.323 6.283 4.448
198 HD3 ARG 30 2HD ARG 30 2.795 5.362 4.755
199 HE ARG 30 HE ARG 30 3.684 7.245 3.083
200 HH11 ARG 30 1HH1 ARG 30 1.666 7.454 5.912
201 HH12 ARG 30 2HH1 ARG 30 2.201 9.047 6.336
202 HH21 ARG 30 1HH2 ARG 30 4.397 9.341 3.631
203 HH22 ARG 30 2HH2 ARG 30 3.754 10.119 5.038
204 H HIS 31 H HIS 31 0.641 3.567 1.139
205 HA HIS 31 HA HIS 31 0.131 1.396 2.797
206 HB2 HIS 31 1HB HIS 31 -1.752 2.675 2.442
207 HB3 HIS 31 2HB HIS 31 -1.438 2.852 0.718
208 HD1 HIS 31 HD1 HIS 31 -2.759 0.317 3.194
209 HD2 HIS 31 HD2 HIS 31 -2.774 1.083 -0.890
210 HE1 HIS 31 HE1 HIS 31 -4.368 -1.343 2.204
211 H ARG 32 H ARG 32 0.146 1.474 -0.767
212 HA ARG 32 HA ARG 32 -0.476 -1.036 -1.463
213 HB2 ARG 32 1HB ARG 32 1.835 0.608 -2.498
214 HB3 ARG 32 2HB ARG 32 1.293 -0.880 -3.262
215 HG2 ARG 32 1HG ARG 32 -0.843 0.076 -3.761
216 HG3 ARG 32 2HG ARG 32 -0.465 1.521 -2.821
217 HD2 ARG 32 1HD ARG 32 0.009 2.298 -4.912
218 HD3 ARG 32 2HD ARG 32 1.584 1.631 -4.485
219 HE ARG 32 HE ARG 32 0.415 -0.455 -5.686
220 HH11 ARG 32 1HH1 ARG 32 0.687 2.891 -6.608
221 HH12 ARG 32 2HH1 ARG 32 0.675 2.559 -8.308
222 HH21 ARG 32 1HH2 ARG 32 0.398 -0.905 -7.923
223 HH22 ARG 32 2HH2 ARG 32 0.510 0.400 -9.055
224 H ARG 33 H ARG 33 2.367 -0.096 0.306
225 HA ARG 33 HA ARG 33 4.087 -2.195 -0.030
226 HB2 ARG 33 1HB ARG 33 3.381 -0.628 2.443
227 HB3 ARG 33 2HB ARG 33 4.646 -1.850 2.448
228 HG2 ARG 33 1HG ARG 33 5.783 -0.606 0.630
229 HG3 ARG 33 2HG ARG 33 4.560 0.657 0.785
230 HD2 ARG 33 1HD ARG 33 6.611 1.206 2.016
231 HD3 ARG 33 2HD ARG 33 5.220 1.046 3.088
232 HE ARG 33 HE ARG 33 7.538 -0.697 2.956
233 HH11 ARG 33 1HH1 ARG 33 4.314 -0.172 4.160
234 HH12 ARG 33 2HH1 ARG 33 4.467 -1.321 5.448
235 HH21 ARG 33 1HH2 ARG 33 7.752 -2.213 4.647
236 HH22 ARG 33 2HH2 ARG 33 6.424 -2.480 5.724
237 H VAL 34 H VAL 34 1.293 -2.079 2.162
238 HA VAL 34 HA VAL 34 1.497 -4.436 3.499
239 HB VAL 34 HB VAL 34 -0.927 -4.539 3.616
240 HG11 VAL 34 1HG1 VAL 34 -1.374 -2.153 4.295
241 HG12 VAL 34 2HG1 VAL 34 0.043 -2.902 5.034
242 HG13 VAL 34 3HG1 VAL 34 0.240 -1.765 3.699
243 HG21 VAL 34 3HG2 VAL 34 -2.388 -3.351 2.223
244 HG22 VAL 34 1HG2 VAL 34 -1.099 -2.321 1.600
245 HG23 VAL 34 2HG2 VAL 34 -1.183 -4.016 1.122
246 H HIS 35 H HIS 35 0.859 -4.011 0.110
247 HA HIS 35 HA HIS 35 0.025 -6.752 -0.294
248 HB2 HIS 35 1HB HIS 35 0.620 -4.508 -2.230
249 HB3 HIS 35 2HB HIS 35 0.075 -6.109 -2.720
250 HD1 HIS 35 HD1 HIS 35 -2.395 -6.715 -2.259
251 HD2 HIS 35 HD2 HIS 35 -1.347 -2.862 -1.112
252 HE1 HIS 35 HE1 HIS 35 -4.569 -5.529 -1.822
253 H THR 36 H THR 36 2.842 -4.750 -1.121
254 HA THR 36 HA THR 36 4.367 -7.237 -1.554
255 HB THR 36 HB THR 36 4.243 -6.103 -3.654
256 HG1 THR 36 HG1 THR 36 6.495 -5.580 -3.940
257 HG21 THR 36 3HG2 THR 36 4.296 -3.743 -2.019
258 HG22 THR 36 1HG2 THR 36 3.869 -3.907 -3.721
259 HG23 THR 36 2HG2 THR 36 5.550 -3.644 -3.254
260 H GLY 37 H GLY 37 5.452 -7.564 0.302
261 HA2 GLY 37 1HA GLY 37 7.210 -5.387 1.217
262 HA3 GLY 37 2HA GLY 37 6.203 -6.237 2.380
263 H GLY 38 H GLY 38 6.512 -8.628 2.494
264 HA2 GLY 38 1HA GLY 38 8.769 -9.914 1.427
265 HA3 GLY 38 2HA GLY 38 9.209 -9.238 2.989
266 H LYS 39 H LYS 39 9.296 -11.961 2.516
267 HA LYS 39 HA LYS 39 7.534 -12.902 4.587
268 HB2 LYS 39 1HB LYS 39 6.382 -14.581 3.334
269 HB3 LYS 39 2HB LYS 39 6.144 -13.050 2.501
270 HG2 LYS 39 1HG LYS 39 8.016 -13.695 0.969
271 HG3 LYS 39 2HG LYS 39 7.995 -15.289 1.726
272 HD2 LYS 39 1HD LYS 39 5.606 -15.504 1.090
273 HD3 LYS 39 2HD LYS 39 5.728 -13.962 0.239
274 HE2 LYS 39 1HE LYS 39 7.537 -16.287 -0.364
275 HE3 LYS 39 2HE LYS 39 5.976 -16.077 -1.155
276 HZ1 LYS 39 3HZ LYS 39 8.276 -14.203 -1.241
277 HZ2 LYS 39 1HZ LYS 39 6.749 -13.864 -1.886
278 HZ3 LYS 39 2HZ LYS 39 7.673 -15.130 -2.521
279 HA PRO 40 HA PRO 40 10.937 -15.575 5.341
280 HB2 PRO 40 1HB PRO 40 9.694 -17.621 6.623
281 HB3 PRO 40 2HB PRO 40 9.958 -16.039 7.367
282 HG2 PRO 40 1HG PRO 40 7.491 -17.136 6.073
283 HG3 PRO 40 2HG PRO 40 7.647 -16.204 7.573
284 HD2 PRO 40 1HD PRO 40 6.869 -15.081 5.236
285 HD3 PRO 40 2HD PRO 40 7.803 -14.194 6.457
286 H SER 41 H SER 41 11.945 -17.478 4.645
287 HA SER 41 HA SER 41 10.649 -18.744 2.346
288 HB2 SER 41 1HB SER 41 13.534 -18.638 3.243
289 HB3 SER 41 2HB SER 41 12.977 -19.608 1.880
290 HG SER 41 HG SER 41 12.053 -17.504 1.124
291 H GLY 42 H GLY 42 10.844 -21.061 2.033
292 HA2 GLY 42 1HA GLY 42 11.418 -22.660 4.403
293 HA3 GLY 42 2HA GLY 42 9.757 -22.684 3.830
294 HA PRO 43 HA PRO 43 12.663 -24.812 0.546
295 HB2 PRO 43 1HB PRO 43 14.893 -25.915 1.633
296 HB3 PRO 43 2HB PRO 43 14.859 -24.280 0.961
297 HG2 PRO 43 1HG PRO 43 14.669 -25.160 3.816
298 HG3 PRO 43 2HG PRO 43 15.594 -23.818 3.119
299 HD2 PRO 43 1HD PRO 43 13.222 -23.455 4.373
300 HD3 PRO 43 2HD PRO 43 13.754 -22.434 3.021
301 H SER 44 H SER 44 11.424 -25.685 3.491
302 HA SER 44 HA SER 44 11.575 -28.561 2.871
303 HB2 SER 44 1HB SER 44 10.975 -28.881 5.302
304 HB3 SER 44 2HB SER 44 12.557 -28.153 5.022
305 HG SER 44 HG SER 44 11.728 -26.169 5.574
306 H SER 45 H SER 45 9.795 -29.291 1.933
307 HA SER 45 HA SER 45 7.450 -28.141 1.412
308 HB2 SER 45 1HB SER 45 6.401 -30.330 1.302
309 HB3 SER 45 2HB SER 45 8.069 -30.459 0.743
310 HG SER 45 HG SER 45 8.201 -31.979 2.185
311 H GLY 46 H GLY 46 5.497 -27.694 2.364
312 HA2 GLY 46 1HA GLY 46 5.527 -27.591 5.279
313 HA3 GLY 46 2HA GLY 46 4.388 -26.774 4.219
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -20.141 -5.359 1.775
2 HA2 GLY 1 1HA GLY 1 -21.278 -6.778 -0.157
3 HA3 GLY 1 2HA GLY 1 -22.611 -5.711 0.261
4 H SER 2 H SER 2 -22.460 -4.971 -1.955
5 HA SER 2 HA SER 2 -20.122 -3.326 -2.574
6 HB2 SER 2 1HB SER 2 -21.023 -4.928 -4.279
7 HB3 SER 2 2HB SER 2 -22.495 -3.960 -4.342
8 HG SER 2 HG SER 2 -19.898 -3.316 -5.202
9 H SER 3 H SER 3 -20.641 -1.709 -0.978
10 HA SER 3 HA SER 3 -23.059 -0.155 -1.340
11 HB2 SER 3 1HB SER 3 -20.811 -0.179 0.625
12 HB3 SER 3 2HB SER 3 -21.747 1.305 0.448
13 HG SER 3 HG SER 3 -22.526 -1.195 1.417
14 H GLY 4 H GLY 4 -23.236 1.792 -2.318
15 HA2 GLY 4 1HA GLY 4 -21.370 2.570 -4.258
16 HA3 GLY 4 2HA GLY 4 -22.697 3.564 -3.674
17 H SER 5 H SER 5 -22.018 5.477 -3.008
18 HA SER 5 HA SER 5 -19.402 5.644 -1.660
19 HB2 SER 5 1HB SER 5 -19.388 6.842 -3.782
20 HB3 SER 5 2HB SER 5 -20.836 7.735 -3.316
21 HG SER 5 HG SER 5 -18.334 8.393 -2.854
22 H SER 6 H SER 6 -20.561 5.109 0.323
23 HA SER 6 HA SER 6 -22.226 7.290 1.368
24 HB2 SER 6 1HB SER 6 -23.040 4.875 1.431
25 HB3 SER 6 2HB SER 6 -21.799 4.590 2.651
26 HG SER 6 HG SER 6 -23.488 5.158 3.856
27 H GLY 7 H GLY 7 -20.262 8.607 1.602
28 HA2 GLY 7 1HA GLY 7 -19.275 9.556 3.647
29 HA3 GLY 7 2HA GLY 7 -18.828 7.916 4.092
30 H THR 8 H THR 8 -18.479 9.797 1.087
31 HA THR 8 HA THR 8 -15.602 9.839 1.363
32 HB THR 8 HB THR 8 -16.865 8.303 -0.917
33 HG1 THR 8 HG1 THR 8 -15.574 7.559 1.464
34 HG21 THR 8 3HG2 THR 8 -14.444 7.799 -1.452
35 HG22 THR 8 1HG2 THR 8 -14.016 9.097 -0.338
36 HG23 THR 8 2HG2 THR 8 -14.971 9.450 -1.778
37 H GLY 9 H GLY 9 -14.996 11.789 0.702
38 HA2 GLY 9 1HA GLY 9 -16.737 13.378 -0.974
39 HA3 GLY 9 2HA GLY 9 -15.239 13.907 -0.224
40 H GLU 10 H GLU 10 -13.927 14.627 -1.763
41 HA GLU 10 HA GLU 10 -13.905 13.311 -4.372
42 HB2 GLU 10 1HB GLU 10 -12.450 15.262 -5.019
43 HB3 GLU 10 2HB GLU 10 -14.082 15.682 -4.517
44 HG2 GLU 10 1HG GLU 10 -13.254 16.318 -2.318
45 HG3 GLU 10 2HG GLU 10 -11.618 15.875 -2.800
46 H LYS 11 H LYS 11 -12.854 11.398 -3.456
47 HA LYS 11 HA LYS 11 -9.991 11.783 -2.909
48 HB2 LYS 11 1HB LYS 11 -11.690 9.333 -2.409
49 HB3 LYS 11 2HB LYS 11 -10.021 9.567 -1.907
50 HG2 LYS 11 1HG LYS 11 -12.103 11.488 -0.983
51 HG3 LYS 11 2HG LYS 11 -11.975 9.904 -0.215
52 HD2 LYS 11 1HD LYS 11 -9.484 11.485 -0.589
53 HD3 LYS 11 2HD LYS 11 -10.613 12.000 0.666
54 HE2 LYS 11 1HE LYS 11 -9.625 9.169 0.420
55 HE3 LYS 11 2HE LYS 11 -8.788 10.391 1.376
56 HZ1 LYS 11 3HZ LYS 11 -11.576 10.299 1.973
57 HZ2 LYS 11 1HZ LYS 11 -10.249 10.168 3.014
58 HZ3 LYS 11 2HZ LYS 11 -10.840 8.796 2.223
59 HA PRO 12 HA PRO 12 -9.925 10.212 -7.210
60 HB2 PRO 12 1HB PRO 12 -7.599 11.461 -7.845
61 HB3 PRO 12 2HB PRO 12 -9.172 12.264 -7.919
62 HG2 PRO 12 1HG PRO 12 -7.083 12.384 -5.779
63 HG3 PRO 12 2HG PRO 12 -8.053 13.698 -6.471
64 HD2 PRO 12 1HD PRO 12 -8.645 12.546 -4.093
65 HD3 PRO 12 2HD PRO 12 -9.893 13.188 -5.181
66 H TYR 13 H TYR 13 -7.807 9.971 -4.509
67 HA TYR 13 HA TYR 13 -6.036 8.070 -5.828
68 HB2 TYR 13 1HB TYR 13 -6.032 9.049 -2.966
69 HB3 TYR 13 2HB TYR 13 -4.772 8.092 -3.736
70 HD1 TYR 13 HD1 TYR 13 -3.453 9.118 -5.624
71 HD2 TYR 13 HD2 TYR 13 -6.064 11.401 -3.160
72 HE1 TYR 13 HE1 TYR 13 -2.324 11.180 -6.348
73 HE2 TYR 13 HE2 TYR 13 -4.944 13.469 -3.878
74 HH TYR 13 HH TYR 13 -2.823 13.592 -6.513
75 H LYS 14 H LYS 14 -6.613 6.015 -5.961
76 HA LYS 14 HA LYS 14 -7.834 4.721 -3.639
77 HB2 LYS 14 1HB LYS 14 -9.785 5.125 -4.878
78 HB3 LYS 14 2HB LYS 14 -8.984 4.820 -6.413
79 HG2 LYS 14 1HG LYS 14 -9.139 2.540 -6.199
80 HG3 LYS 14 2HG LYS 14 -9.227 2.603 -4.438
81 HD2 LYS 14 1HD LYS 14 -11.481 3.213 -4.455
82 HD3 LYS 14 2HD LYS 14 -11.420 3.742 -6.138
83 HE2 LYS 14 1HE LYS 14 -11.489 1.574 -6.954
84 HE3 LYS 14 2HE LYS 14 -10.897 0.880 -5.445
85 HZ1 LYS 14 3HZ LYS 14 -12.959 0.660 -4.682
86 HZ2 LYS 14 1HZ LYS 14 -13.499 0.990 -6.251
87 HZ3 LYS 14 2HZ LYS 14 -13.392 2.238 -5.114
88 H CYS 15 H CYS 15 -7.229 2.616 -3.341
89 HA CYS 15 HA CYS 15 -4.936 1.715 -4.824
90 HB2 CYS 15 1HB CYS 15 -5.100 1.407 -2.381
91 HB3 CYS 15 2HB CYS 15 -6.482 0.342 -2.615
92 H ASN 16 H ASN 16 -4.946 0.442 -6.549
93 HA ASN 16 HA ASN 16 -7.441 -0.783 -7.406
94 HB2 ASN 16 1HB ASN 16 -5.707 0.536 -8.872
95 HB3 ASN 16 2HB ASN 16 -4.875 -1.015 -8.936
96 HD21 ASN 16 1HD2 ASN 16 -6.870 0.868 -10.606
97 HD22 ASN 16 2HD2 ASN 16 -7.789 -0.316 -11.466
98 H GLU 17 H GLU 17 -5.542 -1.765 -5.177
99 HA GLU 17 HA GLU 17 -5.052 -4.474 -6.196
100 HB2 GLU 17 1HB GLU 17 -4.124 -3.350 -3.557
101 HB3 GLU 17 2HB GLU 17 -3.532 -4.781 -4.388
102 HG2 GLU 17 1HG GLU 17 -3.139 -1.913 -5.195
103 HG3 GLU 17 2HG GLU 17 -1.916 -3.043 -4.619
104 H CYS 18 H CYS 18 -6.214 -2.934 -3.193
105 HA CYS 18 HA CYS 18 -7.898 -5.295 -2.721
106 HB2 CYS 18 1HB CYS 18 -8.052 -4.461 -0.388
107 HB3 CYS 18 2HB CYS 18 -6.395 -4.783 -0.887
108 H GLY 19 H GLY 19 -8.002 -1.739 -2.597
109 HA2 GLY 19 1HA GLY 19 -10.011 -0.859 -3.878
110 HA3 GLY 19 2HA GLY 19 -10.940 -1.911 -2.821
111 H LYS 20 H LYS 20 -8.141 -0.128 -1.722
112 HA LYS 20 HA LYS 20 -9.821 1.267 0.202
113 HB2 LYS 20 1HB LYS 20 -6.887 0.752 -0.071
114 HB3 LYS 20 2HB LYS 20 -7.429 2.091 0.932
115 HG2 LYS 20 1HG LYS 20 -8.707 0.590 2.320
116 HG3 LYS 20 2HG LYS 20 -8.306 -0.770 1.269
117 HD2 LYS 20 1HD LYS 20 -6.102 -0.836 1.979
118 HD3 LYS 20 2HD LYS 20 -6.122 0.843 2.523
119 HE2 LYS 20 1HE LYS 20 -6.135 -0.396 4.502
120 HE3 LYS 20 2HE LYS 20 -7.823 0.055 4.270
121 HZ1 LYS 20 3HZ LYS 20 -6.584 -2.574 3.665
122 HZ2 LYS 20 1HZ LYS 20 -8.169 -2.155 3.250
123 HZ3 LYS 20 2HZ LYS 20 -7.715 -2.237 4.877
124 H VAL 21 H VAL 21 -9.162 3.598 0.696
125 HA VAL 21 HA VAL 21 -8.464 5.091 -1.728
126 HB VAL 21 HB VAL 21 -10.827 5.879 -0.030
127 HG11 VAL 21 1HG1 VAL 21 -9.681 7.665 -1.285
128 HG12 VAL 21 2HG1 VAL 21 -9.960 6.768 -2.779
129 HG13 VAL 21 3HG1 VAL 21 -11.327 7.389 -1.854
130 HG21 VAL 21 3HG2 VAL 21 -11.994 4.251 -1.006
131 HG22 VAL 21 1HG2 VAL 21 -11.774 5.113 -2.529
132 HG23 VAL 21 2HG2 VAL 21 -10.649 3.835 -2.068
133 H PHE 22 H PHE 22 -7.686 7.211 -1.350
134 HA PHE 22 HA PHE 22 -7.265 8.027 1.417
135 HB2 PHE 22 1HB PHE 22 -4.935 7.813 -0.493
136 HB3 PHE 22 2HB PHE 22 -4.884 8.232 1.216
137 HD1 PHE 22 HD2 PHE 22 -5.510 5.488 -1.170
138 HD2 PHE 22 HD1 PHE 22 -4.785 6.568 2.883
139 HE1 PHE 22 HE2 PHE 22 -5.160 3.119 -0.605
140 HE2 PHE 22 HE1 PHE 22 -4.433 4.201 3.454
141 HZ PHE 22 HZ PHE 22 -4.622 2.473 1.710
142 H THR 23 H THR 23 -6.206 10.224 1.509
143 HA THR 23 HA THR 23 -7.395 11.900 -0.576
144 HB THR 23 HB THR 23 -8.072 12.499 1.656
145 HG1 THR 23 HG1 THR 23 -7.683 14.260 0.255
146 HG21 THR 23 3HG2 THR 23 -5.235 12.072 2.241
147 HG22 THR 23 1HG2 THR 23 -6.641 11.945 3.298
148 HG23 THR 23 2HG2 THR 23 -5.909 13.519 2.990
149 H GLN 24 H GLN 24 -4.353 10.828 0.593
150 HA GLN 24 HA GLN 24 -3.002 12.762 -1.171
151 HB2 GLN 24 1HB GLN 24 -2.231 11.778 1.558
152 HB3 GLN 24 2HB GLN 24 -0.999 12.329 0.430
153 HG2 GLN 24 1HG GLN 24 -1.997 14.510 0.321
154 HG3 GLN 24 2HG GLN 24 -3.358 13.977 1.307
155 HE21 GLN 24 1HE2 GLN 24 0.188 13.834 1.492
156 HE22 GLN 24 2HE2 GLN 24 0.294 14.396 3.122
157 H ASN 25 H ASN 25 -1.344 11.997 -2.460
158 HA ASN 25 HA ASN 25 -1.502 9.287 -3.252
159 HB2 ASN 25 1HB ASN 25 0.573 9.893 -4.616
160 HB3 ASN 25 2HB ASN 25 -0.882 10.836 -4.928
161 HD21 ASN 25 1HD2 ASN 25 2.362 11.004 -4.384
162 HD22 ASN 25 2HD2 ASN 25 2.483 12.655 -3.890
163 H SER 26 H SER 26 0.964 11.106 -1.457
164 HA SER 26 HA SER 26 2.911 9.202 -1.164
165 HB2 SER 26 1HB SER 26 1.986 11.068 1.032
166 HB3 SER 26 2HB SER 26 3.585 10.341 0.872
167 HG SER 26 HG SER 26 3.785 11.513 -1.119
168 H HIS 27 H HIS 27 0.085 9.655 0.952
169 HA HIS 27 HA HIS 27 0.592 7.551 2.710
170 HB2 HIS 27 1HB HIS 27 -2.079 8.649 1.806
171 HB3 HIS 27 2HB HIS 27 -1.827 7.631 3.221
172 HD1 HIS 27 HD1 HIS 27 -2.920 10.649 3.160
173 HD2 HIS 27 HD2 HIS 27 0.889 9.391 4.241
174 HE1 HIS 27 HE1 HIS 27 -2.007 12.466 4.640
175 H LEU 28 H LEU 28 -1.321 7.580 -0.286
176 HA LEU 28 HA LEU 28 -2.170 4.920 -0.213
177 HB2 LEU 28 1HB LEU 28 -3.221 6.335 -1.756
178 HB3 LEU 28 2HB LEU 28 -1.688 6.855 -2.453
179 HG LEU 28 HG LEU 28 -1.422 4.584 -3.426
180 HD11 LEU 28 1HD1 LEU 28 -3.983 4.182 -1.983
181 HD12 LEU 28 2HD1 LEU 28 -2.649 3.063 -2.262
182 HD13 LEU 28 3HD1 LEU 28 -3.793 3.411 -3.558
183 HD21 LEU 28 3HD2 LEU 28 -3.353 6.615 -4.167
184 HD22 LEU 28 1HD2 LEU 28 -3.789 5.024 -4.792
185 HD23 LEU 28 2HD2 LEU 28 -2.213 5.718 -5.171
186 H ALA 29 H ALA 29 0.684 6.346 -1.787
187 HA ALA 29 HA ALA 29 1.741 4.088 -2.968
188 HB1 ALA 29 3HB ALA 29 3.840 5.209 -3.005
189 HB2 ALA 29 1HB ALA 29 2.588 6.439 -3.178
190 HB3 ALA 29 2HB ALA 29 3.397 6.215 -1.627
191 H ARG 30 H ARG 30 2.167 5.223 0.366
192 HA ARG 30 HA ARG 30 3.988 3.232 1.167
193 HB2 ARG 30 1HB ARG 30 1.994 4.815 2.797
194 HB3 ARG 30 2HB ARG 30 3.282 3.830 3.478
195 HG2 ARG 30 1HG ARG 30 4.877 5.277 2.110
196 HG3 ARG 30 2HG ARG 30 3.505 6.367 1.900
197 HD2 ARG 30 1HD ARG 30 4.711 7.170 3.770
198 HD3 ARG 30 2HD ARG 30 3.276 6.371 4.411
199 HE ARG 30 HE ARG 30 5.122 4.411 4.479
200 HH11 ARG 30 1HH1 ARG 30 5.132 7.703 5.608
201 HH12 ARG 30 2HH1 ARG 30 6.215 7.387 6.923
202 HH21 ARG 30 1HH2 ARG 30 6.549 3.981 6.205
203 HH22 ARG 30 2HH2 ARG 30 7.021 5.269 7.261
204 H HIS 31 H HIS 31 0.451 3.422 1.471
205 HA HIS 31 HA HIS 31 -0.044 1.103 2.866
206 HB2 HIS 31 1HB HIS 31 -1.892 2.503 2.434
207 HB3 HIS 31 2HB HIS 31 -1.603 2.492 0.696
208 HD1 HIS 31 HD1 HIS 31 -2.376 -0.173 3.315
209 HD2 HIS 31 HD2 HIS 31 -3.427 0.949 -0.544
210 HE1 HIS 31 HE1 HIS 31 -4.102 -1.846 2.575
211 H ARG 32 H ARG 32 0.079 1.425 -0.685
212 HA ARG 32 HA ARG 32 -0.383 -1.068 -1.554
213 HB2 ARG 32 1HB ARG 32 1.842 0.776 -2.428
214 HB3 ARG 32 2HB ARG 32 1.411 -0.691 -3.297
215 HG2 ARG 32 1HG ARG 32 -0.813 0.174 -3.713
216 HG3 ARG 32 2HG ARG 32 -0.444 1.622 -2.775
217 HD2 ARG 32 1HD ARG 32 -0.089 2.359 -4.930
218 HD3 ARG 32 2HD ARG 32 1.534 1.869 -4.447
219 HE ARG 32 HE ARG 32 1.437 0.127 -5.956
220 HH11 ARG 32 1HH1 ARG 32 -1.688 1.631 -5.658
221 HH12 ARG 32 2HH1 ARG 32 -2.358 0.811 -7.029
222 HH21 ARG 32 1HH2 ARG 32 0.566 -0.959 -7.763
223 HH22 ARG 32 2HH2 ARG 32 -1.076 -0.663 -8.225
224 H ARG 33 H ARG 33 2.364 -0.079 0.337
225 HA ARG 33 HA ARG 33 4.195 -2.075 -0.101
226 HB2 ARG 33 1HB ARG 33 3.417 -0.721 2.482
227 HB3 ARG 33 2HB ARG 33 4.805 -1.790 2.337
228 HG2 ARG 33 1HG ARG 33 4.447 0.651 0.624
229 HG3 ARG 33 2HG ARG 33 5.273 0.680 2.183
230 HD2 ARG 33 1HD ARG 33 6.043 -1.164 -0.069
231 HD3 ARG 33 2HD ARG 33 6.759 0.430 0.165
232 HE ARG 33 HE ARG 33 7.882 -0.366 2.039
233 HH11 ARG 33 1HH1 ARG 33 5.741 -2.782 0.736
234 HH12 ARG 33 2HH1 ARG 33 6.437 -4.079 1.651
235 HH21 ARG 33 1HH2 ARG 33 8.806 -2.064 3.248
236 HH22 ARG 33 2HH2 ARG 33 8.179 -3.669 3.080
237 H VAL 34 H VAL 34 1.402 -2.176 2.094
238 HA VAL 34 HA VAL 34 1.764 -4.637 3.261
239 HB VAL 34 HB VAL 34 -0.631 -4.761 3.585
240 HG11 VAL 34 1HG1 VAL 34 -0.984 -2.238 4.256
241 HG12 VAL 34 2HG1 VAL 34 0.171 -3.259 5.115
242 HG13 VAL 34 3HG1 VAL 34 0.736 -2.134 3.879
243 HG21 VAL 34 3HG2 VAL 34 -2.209 -3.745 2.301
244 HG22 VAL 34 1HG2 VAL 34 -1.181 -2.359 1.940
245 HG23 VAL 34 2HG2 VAL 34 -0.937 -3.883 1.087
246 H HIS 35 H HIS 35 0.941 -3.922 -0.022
247 HA HIS 35 HA HIS 35 0.053 -6.624 -0.599
248 HB2 HIS 35 1HB HIS 35 0.428 -4.170 -2.318
249 HB3 HIS 35 2HB HIS 35 -0.042 -5.736 -2.975
250 HD1 HIS 35 HD1 HIS 35 -2.428 -6.601 -2.377
251 HD2 HIS 35 HD2 HIS 35 -1.583 -2.771 -1.006
252 HE1 HIS 35 HE1 HIS 35 -4.646 -5.619 -1.714
253 H THR 36 H THR 36 2.881 -4.596 -1.095
254 HA THR 36 HA THR 36 4.234 -6.550 -2.727
255 HB THR 36 HB THR 36 6.198 -5.028 -2.503
256 HG1 THR 36 HG1 THR 36 5.576 -2.907 -1.525
257 HG21 THR 36 3HG2 THR 36 4.552 -4.738 -4.312
258 HG22 THR 36 1HG2 THR 36 5.254 -3.201 -3.808
259 HG23 THR 36 2HG2 THR 36 3.629 -3.644 -3.283
260 H GLY 37 H GLY 37 3.438 -7.746 -0.368
261 HA2 GLY 37 1HA GLY 37 5.733 -9.038 0.498
262 HA3 GLY 37 2HA GLY 37 5.452 -7.730 1.638
263 H GLY 38 H GLY 38 3.021 -9.669 -0.052
264 HA2 GLY 38 1HA GLY 38 2.223 -11.690 1.297
265 HA3 GLY 38 2HA GLY 38 2.028 -10.518 2.592
266 H LYS 39 H LYS 39 0.033 -12.225 1.283
267 HA LYS 39 HA LYS 39 -2.035 -10.293 1.030
268 HB2 LYS 39 1HB LYS 39 -1.004 -10.052 -1.204
269 HB3 LYS 39 2HB LYS 39 -1.259 -11.767 -1.494
270 HG2 LYS 39 1HG LYS 39 -3.718 -11.343 -1.173
271 HG3 LYS 39 2HG LYS 39 -3.339 -9.619 -1.192
272 HD2 LYS 39 1HD LYS 39 -3.998 -10.251 -3.403
273 HD3 LYS 39 2HD LYS 39 -2.256 -9.963 -3.420
274 HE2 LYS 39 1HE LYS 39 -1.797 -12.305 -3.400
275 HE3 LYS 39 2HE LYS 39 -3.490 -12.692 -3.098
276 HZ1 LYS 39 3HZ LYS 39 -3.323 -11.146 -5.432
277 HZ2 LYS 39 1HZ LYS 39 -3.834 -12.751 -5.269
278 HZ3 LYS 39 2HZ LYS 39 -2.203 -12.407 -5.558
279 HA PRO 40 HA PRO 40 -4.256 -13.866 2.346
280 HB2 PRO 40 1HB PRO 40 -6.778 -12.934 1.971
281 HB3 PRO 40 2HB PRO 40 -5.743 -12.398 3.301
282 HG2 PRO 40 1HG PRO 40 -6.307 -11.062 0.682
283 HG3 PRO 40 2HG PRO 40 -6.215 -10.351 2.304
284 HD2 PRO 40 1HD PRO 40 -4.178 -10.194 0.527
285 HD3 PRO 40 2HD PRO 40 -3.912 -10.282 2.280
286 H SER 41 H SER 41 -6.487 -14.957 1.495
287 HA SER 41 HA SER 41 -5.864 -15.770 -1.241
288 HB2 SER 41 1HB SER 41 -7.560 -17.002 0.932
289 HB3 SER 41 2HB SER 41 -7.542 -17.616 -0.721
290 HG SER 41 HG SER 41 -5.172 -17.725 -0.403
291 H GLY 42 H GLY 42 -6.722 -13.951 -2.331
292 HA2 GLY 42 1HA GLY 42 -8.934 -13.967 -3.678
293 HA3 GLY 42 2HA GLY 42 -9.631 -13.575 -2.114
294 HA PRO 43 HA PRO 43 -6.923 -9.826 -3.638
295 HB2 PRO 43 1HB PRO 43 -6.595 -9.720 -6.331
296 HB3 PRO 43 2HB PRO 43 -5.438 -10.509 -5.253
297 HG2 PRO 43 1HG PRO 43 -7.607 -11.726 -6.919
298 HG3 PRO 43 2HG PRO 43 -5.941 -12.280 -6.673
299 HD2 PRO 43 1HD PRO 43 -8.047 -13.369 -5.365
300 HD3 PRO 43 2HD PRO 43 -6.431 -13.250 -4.640
301 H SER 44 H SER 44 -9.831 -11.113 -4.597
302 HA SER 44 HA SER 44 -10.833 -8.911 -6.143
303 HB2 SER 44 1HB SER 44 -11.758 -11.146 -6.469
304 HB3 SER 44 2HB SER 44 -12.279 -11.199 -4.785
305 HG SER 44 HG SER 44 -13.315 -9.719 -6.929
306 H SER 45 H SER 45 -12.040 -7.198 -5.491
307 HA SER 45 HA SER 45 -11.720 -5.978 -3.107
308 HB2 SER 45 1HB SER 45 -12.795 -4.796 -4.892
309 HB3 SER 45 2HB SER 45 -14.154 -5.919 -4.898
310 HG SER 45 HG SER 45 -14.576 -5.159 -2.715
311 H GLY 46 H GLY 46 -12.050 -6.635 -1.094
312 HA2 GLY 46 1HA GLY 46 -14.631 -7.489 -0.203
313 HA3 GLY 46 2HA GLY 46 -13.487 -8.822 -0.251
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -26.751 -11.266 8.504
2 HA2 GLY 1 1HA GLY 1 -24.767 -10.340 9.374
3 HA3 GLY 1 2HA GLY 1 -24.159 -11.556 8.261
4 H SER 2 H SER 2 -22.665 -10.864 6.899
5 HA SER 2 HA SER 2 -21.721 -8.289 6.710
6 HB2 SER 2 1HB SER 2 -20.642 -10.433 5.846
7 HB3 SER 2 2HB SER 2 -21.621 -10.224 4.394
8 HG SER 2 HG SER 2 -19.313 -9.200 4.757
9 H SER 3 H SER 3 -21.878 -6.648 5.119
10 HA SER 3 HA SER 3 -24.120 -6.773 3.260
11 HB2 SER 3 1HB SER 3 -24.861 -5.817 5.544
12 HB3 SER 3 2HB SER 3 -23.906 -4.401 5.104
13 HG SER 3 HG SER 3 -25.598 -5.282 3.126
14 H GLY 4 H GLY 4 -24.103 -5.030 1.685
15 HA2 GLY 4 1HA GLY 4 -21.368 -4.006 1.274
16 HA3 GLY 4 2HA GLY 4 -22.511 -4.360 -0.013
17 H SER 5 H SER 5 -22.625 -2.425 2.981
18 HA SER 5 HA SER 5 -24.232 -0.410 1.752
19 HB2 SER 5 1HB SER 5 -22.890 -0.708 4.420
20 HB3 SER 5 2HB SER 5 -23.576 0.846 3.948
21 HG SER 5 HG SER 5 -25.580 -0.131 3.745
22 H SER 6 H SER 6 -23.621 1.880 1.636
23 HA SER 6 HA SER 6 -20.980 2.148 0.440
24 HB2 SER 6 1HB SER 6 -23.452 3.869 0.450
25 HB3 SER 6 2HB SER 6 -21.906 4.486 -0.133
26 HG SER 6 HG SER 6 -21.946 3.077 -1.784
27 H GLY 7 H GLY 7 -19.887 4.356 0.833
28 HA2 GLY 7 1HA GLY 7 -19.952 4.925 3.734
29 HA3 GLY 7 2HA GLY 7 -18.453 4.815 2.824
30 H THR 8 H THR 8 -18.130 6.978 3.794
31 HA THR 8 HA THR 8 -19.259 9.034 2.022
32 HB THR 8 HB THR 8 -19.294 10.625 3.944
33 HG1 THR 8 HG1 THR 8 -19.179 8.341 5.621
34 HG21 THR 8 3HG2 THR 8 -21.071 8.252 3.730
35 HG22 THR 8 1HG2 THR 8 -21.438 9.962 3.504
36 HG23 THR 8 2HG2 THR 8 -21.270 9.303 5.132
37 H GLY 9 H GLY 9 -17.590 9.758 0.868
38 HA2 GLY 9 1HA GLY 9 -15.657 11.369 1.256
39 HA3 GLY 9 2HA GLY 9 -14.984 10.061 2.218
40 H GLU 10 H GLU 10 -15.857 11.081 -1.028
41 HA GLU 10 HA GLU 10 -14.428 8.798 -2.169
42 HB2 GLU 10 1HB GLU 10 -16.399 10.779 -3.205
43 HB3 GLU 10 2HB GLU 10 -15.265 10.071 -4.347
44 HG2 GLU 10 1HG GLU 10 -17.031 8.453 -2.531
45 HG3 GLU 10 2HG GLU 10 -17.465 8.909 -4.178
46 H LYS 11 H LYS 11 -12.482 8.952 -3.114
47 HA LYS 11 HA LYS 11 -11.390 11.615 -3.688
48 HB2 LYS 11 1HB LYS 11 -10.164 9.486 -1.954
49 HB3 LYS 11 2HB LYS 11 -9.162 10.675 -2.777
50 HG2 LYS 11 1HG LYS 11 -9.444 11.692 -0.755
51 HG3 LYS 11 2HG LYS 11 -10.802 12.380 -1.647
52 HD2 LYS 11 1HD LYS 11 -12.359 11.089 -0.530
53 HD3 LYS 11 2HD LYS 11 -11.179 9.847 -0.107
54 HE2 LYS 11 1HE LYS 11 -10.091 11.611 1.369
55 HE3 LYS 11 2HE LYS 11 -11.551 12.567 1.121
56 HZ1 LYS 11 3HZ LYS 11 -12.168 11.461 2.977
57 HZ2 LYS 11 1HZ LYS 11 -11.167 10.131 2.675
58 HZ3 LYS 11 2HZ LYS 11 -12.640 10.283 1.858
59 HA PRO 12 HA PRO 12 -9.909 9.860 -7.427
60 HB2 PRO 12 1HB PRO 12 -7.590 11.222 -7.798
61 HB3 PRO 12 2HB PRO 12 -9.182 11.963 -8.000
62 HG2 PRO 12 1HG PRO 12 -7.314 12.097 -5.665
63 HG3 PRO 12 2HG PRO 12 -8.270 13.392 -6.408
64 HD2 PRO 12 1HD PRO 12 -9.036 12.138 -4.134
65 HD3 PRO 12 2HD PRO 12 -10.201 12.765 -5.318
66 H TYR 13 H TYR 13 -7.873 9.773 -4.603
67 HA TYR 13 HA TYR 13 -6.039 7.858 -5.807
68 HB2 TYR 13 1HB TYR 13 -6.084 8.899 -2.969
69 HB3 TYR 13 2HB TYR 13 -4.766 8.041 -3.759
70 HD1 TYR 13 HD2 TYR 13 -6.522 11.240 -3.461
71 HD2 TYR 13 HD1 TYR 13 -3.326 9.168 -5.358
72 HE1 TYR 13 HE2 TYR 13 -5.570 13.387 -4.190
73 HE2 TYR 13 HE1 TYR 13 -2.365 11.309 -6.091
74 HH TYR 13 HH TYR 13 -2.984 13.574 -6.464
75 H LYS 14 H LYS 14 -6.822 5.857 -5.986
76 HA LYS 14 HA LYS 14 -7.858 4.567 -3.567
77 HB2 LYS 14 1HB LYS 14 -9.870 5.077 -4.724
78 HB3 LYS 14 2HB LYS 14 -9.186 4.600 -6.272
79 HG2 LYS 14 1HG LYS 14 -9.004 2.257 -5.243
80 HG3 LYS 14 2HG LYS 14 -10.116 2.867 -4.015
81 HD2 LYS 14 1HD LYS 14 -11.590 3.598 -5.975
82 HD3 LYS 14 2HD LYS 14 -10.569 2.557 -6.970
83 HE2 LYS 14 1HE LYS 14 -11.102 0.671 -5.451
84 HE3 LYS 14 2HE LYS 14 -12.207 1.730 -4.576
85 HZ1 LYS 14 3HZ LYS 14 -13.725 0.981 -6.008
86 HZ2 LYS 14 1HZ LYS 14 -12.570 0.373 -7.085
87 HZ3 LYS 14 2HZ LYS 14 -13.005 2.007 -7.144
88 H CYS 15 H CYS 15 -7.120 2.539 -3.252
89 HA CYS 15 HA CYS 15 -5.096 1.552 -5.065
90 HB2 CYS 15 1HB CYS 15 -4.726 1.470 -2.639
91 HB3 CYS 15 2HB CYS 15 -6.124 0.416 -2.455
92 H ASN 16 H ASN 16 -5.423 0.122 -6.629
93 HA ASN 16 HA ASN 16 -8.008 -1.139 -6.919
94 HB2 ASN 16 1HB ASN 16 -6.677 -2.133 -8.997
95 HB3 ASN 16 2HB ASN 16 -7.300 -0.486 -9.002
96 HD21 ASN 16 1HD2 ASN 16 -4.426 -2.226 -7.853
97 HD22 ASN 16 2HD2 ASN 16 -3.284 -1.066 -8.433
98 H GLU 17 H GLU 17 -5.107 -1.922 -5.424
99 HA GLU 17 HA GLU 17 -4.957 -4.701 -5.957
100 HB2 GLU 17 1HB GLU 17 -4.002 -3.356 -3.434
101 HB3 GLU 17 2HB GLU 17 -3.365 -4.807 -4.195
102 HG2 GLU 17 1HG GLU 17 -3.230 -2.050 -5.391
103 HG3 GLU 17 2HG GLU 17 -1.928 -2.822 -4.488
104 H CYS 18 H CYS 18 -6.352 -2.858 -3.254
105 HA CYS 18 HA CYS 18 -7.878 -5.269 -2.516
106 HB2 CYS 18 1HB CYS 18 -7.978 -4.278 -0.216
107 HB3 CYS 18 2HB CYS 18 -6.358 -4.732 -0.735
108 H GLY 19 H GLY 19 -7.963 -1.733 -2.737
109 HA2 GLY 19 1HA GLY 19 -9.972 -0.839 -3.891
110 HA3 GLY 19 2HA GLY 19 -10.910 -1.917 -2.868
111 H LYS 20 H LYS 20 -8.151 0.001 -1.821
112 HA LYS 20 HA LYS 20 -9.887 1.322 0.128
113 HB2 LYS 20 1HB LYS 20 -6.945 0.807 -0.059
114 HB3 LYS 20 2HB LYS 20 -7.520 2.134 0.941
115 HG2 LYS 20 1HG LYS 20 -9.070 0.373 2.004
116 HG3 LYS 20 2HG LYS 20 -7.983 -0.803 1.262
117 HD2 LYS 20 1HD LYS 20 -6.088 0.208 2.429
118 HD3 LYS 20 2HD LYS 20 -7.166 1.400 3.158
119 HE2 LYS 20 1HE LYS 20 -7.494 -1.571 3.520
120 HE3 LYS 20 2HE LYS 20 -6.554 -0.562 4.617
121 HZ1 LYS 20 3HZ LYS 20 -9.071 0.620 4.216
122 HZ2 LYS 20 1HZ LYS 20 -8.410 0.009 5.649
123 HZ3 LYS 20 2HZ LYS 20 -9.304 -1.003 4.631
124 H VAL 21 H VAL 21 -9.104 3.650 0.680
125 HA VAL 21 HA VAL 21 -8.391 5.152 -1.728
126 HB VAL 21 HB VAL 21 -10.785 5.910 -0.053
127 HG11 VAL 21 1HG1 VAL 21 -9.562 7.747 -1.177
128 HG12 VAL 21 2HG1 VAL 21 -9.849 6.949 -2.725
129 HG13 VAL 21 3HG1 VAL 21 -11.209 7.544 -1.772
130 HG21 VAL 21 3HG2 VAL 21 -11.353 3.892 -1.217
131 HG22 VAL 21 1HG2 VAL 21 -12.118 5.245 -2.051
132 HG23 VAL 21 2HG2 VAL 21 -10.663 4.507 -2.719
133 H PHE 22 H PHE 22 -7.630 7.286 -1.313
134 HA PHE 22 HA PHE 22 -7.206 8.047 1.467
135 HB2 PHE 22 1HB PHE 22 -4.891 7.787 -0.461
136 HB3 PHE 22 2HB PHE 22 -4.807 8.300 1.221
137 HD1 PHE 22 HD2 PHE 22 -5.607 5.424 -0.969
138 HD2 PHE 22 HD1 PHE 22 -4.573 6.738 2.945
139 HE1 PHE 22 HE2 PHE 22 -5.260 3.088 -0.280
140 HE2 PHE 22 HE1 PHE 22 -4.224 4.403 3.640
141 HZ PHE 22 HZ PHE 22 -4.569 2.575 2.028
142 H THR 23 H THR 23 -6.150 10.240 1.605
143 HA THR 23 HA THR 23 -7.442 11.990 -0.316
144 HB THR 23 HB THR 23 -7.648 12.518 2.065
145 HG1 THR 23 HG1 THR 23 -6.467 14.732 1.778
146 HG21 THR 23 3HG2 THR 23 -4.795 13.351 2.223
147 HG22 THR 23 1HG2 THR 23 -5.177 11.643 2.434
148 HG23 THR 23 2HG2 THR 23 -5.896 12.845 3.505
149 H GLN 24 H GLN 24 -4.166 11.306 0.851
150 HA GLN 24 HA GLN 24 -3.104 12.905 -1.380
151 HB2 GLN 24 1HB GLN 24 -1.856 12.121 1.255
152 HB3 GLN 24 2HB GLN 24 -0.960 12.877 -0.056
153 HG2 GLN 24 1HG GLN 24 -2.927 14.647 0.137
154 HG3 GLN 24 2HG GLN 24 -2.968 14.029 1.787
155 HE21 GLN 24 1HE2 GLN 24 -1.110 15.749 -0.588
156 HE22 GLN 24 2HE2 GLN 24 0.080 16.374 0.496
157 H ASN 25 H ASN 25 -1.199 12.081 -2.479
158 HA ASN 25 HA ASN 25 -1.494 9.324 -3.161
159 HB2 ASN 25 1HB ASN 25 0.321 9.721 -4.741
160 HB3 ASN 25 2HB ASN 25 -0.843 11.041 -4.815
161 HD21 ASN 25 1HD2 ASN 25 2.186 10.639 -5.264
162 HD22 ASN 25 2HD2 ASN 25 2.877 12.016 -4.481
163 H SER 26 H SER 26 0.966 11.204 -1.437
164 HA SER 26 HA SER 26 2.945 9.368 -1.067
165 HB2 SER 26 1HB SER 26 3.022 11.682 -0.201
166 HB3 SER 26 2HB SER 26 1.875 11.238 1.063
167 HG SER 26 HG SER 26 4.062 11.162 1.776
168 H HIS 27 H HIS 27 -0.025 9.658 0.858
169 HA HIS 27 HA HIS 27 0.523 7.594 2.674
170 HB2 HIS 27 1HB HIS 27 -2.198 8.450 1.669
171 HB3 HIS 27 2HB HIS 27 -1.848 7.621 3.184
172 HD1 HIS 27 HD1 HIS 27 -3.051 10.654 2.463
173 HD2 HIS 27 HD2 HIS 27 0.504 9.575 4.324
174 HE1 HIS 27 HE1 HIS 27 -2.364 12.660 3.815
175 H LEU 28 H LEU 28 -1.479 7.515 -0.277
176 HA LEU 28 HA LEU 28 -2.106 4.817 -0.259
177 HB2 LEU 28 1HB LEU 28 -3.241 6.159 -1.800
178 HB3 LEU 28 2HB LEU 28 -1.746 6.802 -2.476
179 HG LEU 28 HG LEU 28 -1.305 4.568 -3.476
180 HD11 LEU 28 1HD1 LEU 28 -3.817 3.415 -3.556
181 HD12 LEU 28 2HD1 LEU 28 -3.618 3.887 -1.868
182 HD13 LEU 28 3HD1 LEU 28 -2.426 2.840 -2.637
183 HD21 LEU 28 3HD2 LEU 28 -3.098 6.568 -4.294
184 HD22 LEU 28 1HD2 LEU 28 -3.862 5.028 -4.687
185 HD23 LEU 28 2HD2 LEU 28 -2.252 5.396 -5.305
186 H ALA 29 H ALA 29 0.712 6.435 -1.681
187 HA ALA 29 HA ALA 29 1.912 4.314 -2.965
188 HB1 ALA 29 3HB ALA 29 3.693 5.672 -3.193
189 HB2 ALA 29 1HB ALA 29 2.606 6.882 -2.511
190 HB3 ALA 29 2HB ALA 29 3.762 6.047 -1.471
191 H ARG 30 H ARG 30 2.264 5.256 0.447
192 HA ARG 30 HA ARG 30 4.043 3.167 1.129
193 HB2 ARG 30 1HB ARG 30 2.165 4.790 2.854
194 HB3 ARG 30 2HB ARG 30 3.407 3.712 3.477
195 HG2 ARG 30 1HG ARG 30 5.021 5.145 2.047
196 HG3 ARG 30 2HG ARG 30 3.710 6.325 2.066
197 HD2 ARG 30 1HD ARG 30 3.740 5.844 4.645
198 HD3 ARG 30 2HD ARG 30 5.384 5.302 4.312
199 HE ARG 30 HE ARG 30 6.002 7.486 3.897
200 HH11 ARG 30 1HH1 ARG 30 2.543 7.256 4.216
201 HH12 ARG 30 2HH1 ARG 30 2.306 8.970 4.302
202 HH21 ARG 30 1HH2 ARG 30 5.703 9.744 4.009
203 HH22 ARG 30 2HH2 ARG 30 4.104 10.384 4.183
204 H HIS 31 H HIS 31 0.523 3.501 1.423
205 HA HIS 31 HA HIS 31 -0.121 1.224 2.801
206 HB2 HIS 31 1HB HIS 31 -1.889 2.687 2.246
207 HB3 HIS 31 2HB HIS 31 -1.526 2.608 0.525
208 HD1 HIS 31 HD1 HIS 31 -2.763 0.282 3.270
209 HD2 HIS 31 HD2 HIS 31 -3.099 0.870 -0.829
210 HE1 HIS 31 HE1 HIS 31 -4.454 -1.405 2.485
211 H ARG 32 H ARG 32 0.232 1.473 -0.738
212 HA ARG 32 HA ARG 32 -0.295 -1.002 -1.610
213 HB2 ARG 32 1HB ARG 32 2.141 0.630 -2.340
214 HB3 ARG 32 2HB ARG 32 1.564 -0.755 -3.257
215 HG2 ARG 32 1HG ARG 32 -0.427 0.369 -3.875
216 HG3 ARG 32 2HG ARG 32 -0.124 1.673 -2.725
217 HD2 ARG 32 1HD ARG 32 0.392 2.381 -4.997
218 HD3 ARG 32 2HD ARG 32 1.849 2.342 -4.005
219 HE ARG 32 HE ARG 32 1.689 -0.114 -5.268
220 HH11 ARG 32 1HH1 ARG 32 1.982 3.230 -6.188
221 HH12 ARG 32 2HH1 ARG 32 2.860 2.889 -7.642
222 HH21 ARG 32 1HH2 ARG 32 2.845 -0.577 -7.179
223 HH22 ARG 32 2HH2 ARG 32 3.350 0.722 -8.205
224 H ARG 33 H ARG 33 2.503 -0.102 0.309
225 HA ARG 33 HA ARG 33 4.216 -2.173 0.093
226 HB2 ARG 33 1HB ARG 33 3.253 -0.740 2.556
227 HB3 ARG 33 2HB ARG 33 4.500 -1.976 2.646
228 HG2 ARG 33 1HG ARG 33 5.826 -0.658 0.998
229 HG3 ARG 33 2HG ARG 33 4.614 0.618 1.128
230 HD2 ARG 33 1HD ARG 33 5.050 0.595 3.620
231 HD3 ARG 33 2HD ARG 33 6.440 -0.433 3.276
232 HE ARG 33 HE ARG 33 6.344 2.056 1.803
233 HH11 ARG 33 1HH1 ARG 33 7.495 0.380 4.629
234 HH12 ARG 33 2HH1 ARG 33 8.790 1.493 4.922
235 HH21 ARG 33 1HH2 ARG 33 8.046 3.528 2.177
236 HH22 ARG 33 2HH2 ARG 33 9.102 3.283 3.527
237 H VAL 34 H VAL 34 1.198 -2.229 1.959
238 HA VAL 34 HA VAL 34 1.313 -4.650 3.194
239 HB VAL 34 HB VAL 34 -1.107 -4.803 3.030
240 HG11 VAL 34 1HG1 VAL 34 -1.645 -2.372 3.692
241 HG12 VAL 34 2HG1 VAL 34 -0.477 -3.269 4.665
242 HG13 VAL 34 3HG1 VAL 34 0.083 -2.090 3.479
243 HG21 VAL 34 3HG2 VAL 34 -2.385 -3.237 1.636
244 HG22 VAL 34 1HG2 VAL 34 -0.877 -2.630 0.950
245 HG23 VAL 34 2HG2 VAL 34 -1.367 -4.300 0.664
246 H HIS 35 H HIS 35 0.544 -4.063 -0.210
247 HA HIS 35 HA HIS 35 0.185 -6.881 -0.748
248 HB2 HIS 35 1HB HIS 35 0.354 -4.569 -2.691
249 HB3 HIS 35 2HB HIS 35 -0.226 -6.193 -3.047
250 HD1 HIS 35 HD1 HIS 35 -2.580 -6.834 -2.149
251 HD2 HIS 35 HD2 HIS 35 -1.474 -2.895 -1.423
252 HE1 HIS 35 HE1 HIS 35 -4.693 -5.658 -1.458
253 H THR 36 H THR 36 2.418 -7.293 0.147
254 HA THR 36 HA THR 36 4.339 -7.248 -2.076
255 HB THR 36 HB THR 36 6.154 -7.019 -0.261
256 HG1 THR 36 HG1 THR 36 4.788 -5.429 1.338
257 HG21 THR 36 3HG2 THR 36 4.380 -4.670 -0.937
258 HG22 THR 36 1HG2 THR 36 5.709 -5.287 -1.917
259 HG23 THR 36 2HG2 THR 36 6.037 -4.561 -0.343
260 H GLY 37 H GLY 37 2.598 -9.359 -1.302
261 HA2 GLY 37 1HA GLY 37 4.225 -11.562 -1.384
262 HA3 GLY 37 2HA GLY 37 4.017 -11.241 0.331
263 H GLY 38 H GLY 38 2.210 -11.937 1.330
264 HA2 GLY 38 1HA GLY 38 -0.209 -12.483 -0.156
265 HA3 GLY 38 2HA GLY 38 0.624 -13.922 0.411
266 H LYS 39 H LYS 39 -1.885 -13.548 1.279
267 HA LYS 39 HA LYS 39 -1.486 -12.821 4.100
268 HB2 LYS 39 1HB LYS 39 -3.751 -11.882 4.180
269 HB3 LYS 39 2HB LYS 39 -2.737 -11.012 3.035
270 HG2 LYS 39 1HG LYS 39 -3.787 -12.129 1.181
271 HG3 LYS 39 2HG LYS 39 -4.720 -13.148 2.279
272 HD2 LYS 39 1HD LYS 39 -5.617 -10.916 3.221
273 HD3 LYS 39 2HD LYS 39 -5.004 -10.215 1.721
274 HE2 LYS 39 1HE LYS 39 -7.283 -10.741 1.341
275 HE3 LYS 39 2HE LYS 39 -6.338 -11.963 0.493
276 HZ1 LYS 39 3HZ LYS 39 -7.246 -13.561 1.713
277 HZ2 LYS 39 1HZ LYS 39 -8.340 -12.416 2.308
278 HZ3 LYS 39 2HZ LYS 39 -6.923 -12.756 3.166
279 HA PRO 40 HA PRO 40 -3.223 -16.741 5.048
280 HB2 PRO 40 1HB PRO 40 -4.405 -16.215 7.435
281 HB3 PRO 40 2HB PRO 40 -2.652 -16.326 7.235
282 HG2 PRO 40 1HG PRO 40 -4.393 -13.894 7.366
283 HG3 PRO 40 2HG PRO 40 -2.822 -14.189 8.134
284 HD2 PRO 40 1HD PRO 40 -3.085 -12.728 5.870
285 HD3 PRO 40 2HD PRO 40 -1.649 -13.716 6.207
286 H SER 41 H SER 41 -4.876 -17.480 3.861
287 HA SER 41 HA SER 41 -7.423 -16.068 3.839
288 HB2 SER 41 1HB SER 41 -6.552 -16.811 1.692
289 HB3 SER 41 2HB SER 41 -6.455 -18.473 2.274
290 HG SER 41 HG SER 41 -8.373 -18.534 1.361
291 H GLY 42 H GLY 42 -6.074 -19.179 4.826
292 HA2 GLY 42 1HA GLY 42 -8.132 -20.774 5.396
293 HA3 GLY 42 2HA GLY 42 -6.832 -20.542 6.556
294 HA PRO 43 HA PRO 43 -9.508 -18.644 9.459
295 HB2 PRO 43 1HB PRO 43 -8.211 -16.395 10.251
296 HB3 PRO 43 2HB PRO 43 -7.676 -18.019 10.696
297 HG2 PRO 43 1HG PRO 43 -6.663 -16.218 8.530
298 HG3 PRO 43 2HG PRO 43 -5.748 -17.225 9.667
299 HD2 PRO 43 1HD PRO 43 -6.218 -17.976 7.108
300 HD3 PRO 43 2HD PRO 43 -6.091 -19.145 8.438
301 H SER 44 H SER 44 -8.180 -16.049 7.394
302 HA SER 44 HA SER 44 -9.167 -14.055 6.757
303 HB2 SER 44 1HB SER 44 -10.930 -14.467 5.098
304 HB3 SER 44 2HB SER 44 -9.631 -15.648 4.936
305 HG SER 44 HG SER 44 -11.466 -16.830 4.901
306 H SER 45 H SER 45 -9.806 -14.503 9.423
307 HA SER 45 HA SER 45 -12.530 -14.482 10.048
308 HB2 SER 45 1HB SER 45 -11.862 -13.541 12.204
309 HB3 SER 45 2HB SER 45 -10.735 -14.808 11.718
310 HG SER 45 HG SER 45 -9.788 -12.788 12.525
311 H GLY 46 H GLY 46 -10.295 -11.753 9.556
312 HA2 GLY 46 1HA GLY 46 -12.658 -10.003 9.275
313 HA3 GLY 46 2HA GLY 46 -11.088 -9.457 9.846
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -24.270 -7.481 3.662
2 HA2 GLY 1 1HA GLY 1 -22.868 -9.400 2.076
3 HA3 GLY 1 2HA GLY 1 -22.847 -7.809 1.329
4 H SER 2 H SER 2 -21.103 -6.657 1.773
5 HA SER 2 HA SER 2 -19.547 -7.303 4.166
6 HB2 SER 2 1HB SER 2 -18.650 -7.061 1.682
7 HB3 SER 2 2HB SER 2 -18.583 -5.353 2.117
8 HG SER 2 HG SER 2 -17.506 -6.459 4.136
9 H SER 3 H SER 3 -18.574 -5.528 5.400
10 HA SER 3 HA SER 3 -20.435 -3.254 5.610
11 HB2 SER 3 1HB SER 3 -20.192 -4.911 7.563
12 HB3 SER 3 2HB SER 3 -18.601 -4.191 7.812
13 HG SER 3 HG SER 3 -20.960 -2.637 7.660
14 H GLY 4 H GLY 4 -19.616 -1.168 5.952
15 HA2 GLY 4 1HA GLY 4 -17.618 -0.205 4.465
16 HA3 GLY 4 2HA GLY 4 -18.003 0.509 6.024
17 H SER 5 H SER 5 -15.608 -0.912 4.184
18 HA SER 5 HA SER 5 -14.082 -1.887 6.476
19 HB2 SER 5 1HB SER 5 -13.961 -3.360 4.615
20 HB3 SER 5 2HB SER 5 -13.647 -2.037 3.492
21 HG SER 5 HG SER 5 -11.879 -2.648 5.610
22 H SER 6 H SER 6 -13.481 0.264 3.691
23 HA SER 6 HA SER 6 -12.461 2.381 5.248
24 HB2 SER 6 1HB SER 6 -10.534 1.078 5.714
25 HB3 SER 6 2HB SER 6 -10.438 0.486 4.056
26 HG SER 6 HG SER 6 -8.910 2.159 4.535
27 H GLY 7 H GLY 7 -12.316 4.218 4.053
28 HA2 GLY 7 1HA GLY 7 -11.842 5.412 2.030
29 HA3 GLY 7 2HA GLY 7 -12.230 3.957 1.124
30 H THR 8 H THR 8 -13.587 6.613 2.991
31 HA THR 8 HA THR 8 -16.139 6.193 1.577
32 HB THR 8 HB THR 8 -15.886 7.348 4.357
33 HG1 THR 8 HG1 THR 8 -15.429 5.209 4.609
34 HG21 THR 8 3HG2 THR 8 -18.376 6.215 3.151
35 HG22 THR 8 1HG2 THR 8 -17.874 7.853 2.734
36 HG23 THR 8 2HG2 THR 8 -18.196 7.430 4.416
37 H GLY 9 H GLY 9 -15.635 7.675 -0.047
38 HA2 GLY 9 1HA GLY 9 -16.445 10.278 0.237
39 HA3 GLY 9 2HA GLY 9 -14.716 10.324 0.548
40 H GLU 10 H GLU 10 -14.626 11.718 -1.339
41 HA GLU 10 HA GLU 10 -14.605 10.154 -3.836
42 HB2 GLU 10 1HB GLU 10 -15.391 13.047 -3.458
43 HB3 GLU 10 2HB GLU 10 -15.142 12.288 -5.024
44 HG2 GLU 10 1HG GLU 10 -16.925 10.631 -4.371
45 HG3 GLU 10 2HG GLU 10 -17.268 11.676 -2.994
46 H LYS 11 H LYS 11 -12.389 9.691 -3.486
47 HA LYS 11 HA LYS 11 -10.615 11.994 -3.971
48 HB2 LYS 11 1HB LYS 11 -9.984 9.507 -2.370
49 HB3 LYS 11 2HB LYS 11 -8.866 10.824 -2.701
50 HG2 LYS 11 1HG LYS 11 -9.903 12.258 -1.237
51 HG3 LYS 11 2HG LYS 11 -11.450 11.414 -1.339
52 HD2 LYS 11 1HD LYS 11 -10.203 9.457 -0.212
53 HD3 LYS 11 2HD LYS 11 -8.991 10.670 0.209
54 HE2 LYS 11 1HE LYS 11 -10.503 11.885 1.524
55 HE3 LYS 11 2HE LYS 11 -11.902 11.080 0.814
56 HZ1 LYS 11 3HZ LYS 11 -11.741 10.008 2.809
57 HZ2 LYS 11 1HZ LYS 11 -10.054 10.118 2.879
58 HZ3 LYS 11 2HZ LYS 11 -10.785 8.984 1.859
59 HA PRO 12 HA PRO 12 -9.387 9.880 -7.637
60 HB2 PRO 12 1HB PRO 12 -7.019 11.140 -8.062
61 HB3 PRO 12 2HB PRO 12 -8.583 11.910 -8.352
62 HG2 PRO 12 1HG PRO 12 -6.755 12.165 -5.996
63 HG3 PRO 12 2HG PRO 12 -7.655 13.428 -6.855
64 HD2 PRO 12 1HD PRO 12 -8.502 12.376 -4.508
65 HD3 PRO 12 2HD PRO 12 -9.625 12.945 -5.760
66 H TYR 13 H TYR 13 -7.615 9.779 -4.697
67 HA TYR 13 HA TYR 13 -5.698 7.830 -5.724
68 HB2 TYR 13 1HB TYR 13 -5.870 8.744 -2.865
69 HB3 TYR 13 2HB TYR 13 -4.470 8.143 -3.747
70 HD1 TYR 13 HD1 TYR 13 -3.331 9.603 -5.398
71 HD2 TYR 13 HD2 TYR 13 -6.468 11.054 -2.916
72 HE1 TYR 13 HE1 TYR 13 -2.648 11.913 -5.895
73 HE2 TYR 13 HE2 TYR 13 -5.794 13.368 -3.407
74 HH TYR 13 HH TYR 13 -2.952 14.069 -5.406
75 H LYS 14 H LYS 14 -6.515 5.842 -5.916
76 HA LYS 14 HA LYS 14 -7.744 4.630 -3.550
77 HB2 LYS 14 1HB LYS 14 -9.655 5.194 -4.866
78 HB3 LYS 14 2HB LYS 14 -8.893 4.609 -6.339
79 HG2 LYS 14 1HG LYS 14 -8.887 2.316 -5.220
80 HG3 LYS 14 2HG LYS 14 -10.009 3.022 -4.055
81 HD2 LYS 14 1HD LYS 14 -11.676 3.304 -5.635
82 HD3 LYS 14 2HD LYS 14 -10.538 3.301 -6.984
83 HE2 LYS 14 1HE LYS 14 -10.110 0.884 -6.507
84 HE3 LYS 14 2HE LYS 14 -11.415 0.943 -5.324
85 HZ1 LYS 14 3HZ LYS 14 -11.574 1.198 -8.258
86 HZ2 LYS 14 1HZ LYS 14 -12.799 1.824 -7.273
87 HZ3 LYS 14 2HZ LYS 14 -12.443 0.171 -7.232
88 H CYS 15 H CYS 15 -7.200 2.522 -3.209
89 HA CYS 15 HA CYS 15 -4.989 1.489 -4.738
90 HB2 CYS 15 1HB CYS 15 -5.131 1.292 -2.257
91 HB3 CYS 15 2HB CYS 15 -6.493 0.193 -2.456
92 H ASN 16 H ASN 16 -5.094 0.120 -6.389
93 HA ASN 16 HA ASN 16 -7.671 -1.038 -7.101
94 HB2 ASN 16 1HB ASN 16 -5.053 -0.770 -8.580
95 HB3 ASN 16 2HB ASN 16 -6.413 -1.691 -9.216
96 HD21 ASN 16 1HD2 ASN 16 -4.915 1.121 -9.521
97 HD22 ASN 16 2HD2 ASN 16 -6.235 2.152 -9.945
98 H GLU 17 H GLU 17 -5.678 -2.000 -4.944
99 HA GLU 17 HA GLU 17 -5.290 -4.746 -5.904
100 HB2 GLU 17 1HB GLU 17 -4.247 -3.589 -3.324
101 HB3 GLU 17 2HB GLU 17 -3.699 -5.034 -4.162
102 HG2 GLU 17 1HG GLU 17 -3.300 -2.175 -4.993
103 HG3 GLU 17 2HG GLU 17 -2.072 -3.333 -4.485
104 H CYS 18 H CYS 18 -6.529 -2.974 -3.077
105 HA CYS 18 HA CYS 18 -8.157 -5.337 -2.413
106 HB2 CYS 18 1HB CYS 18 -8.252 -4.409 -0.112
107 HB3 CYS 18 2HB CYS 18 -6.612 -4.784 -0.630
108 H GLY 19 H GLY 19 -8.197 -1.780 -2.453
109 HA2 GLY 19 1HA GLY 19 -10.188 -0.869 -3.696
110 HA3 GLY 19 2HA GLY 19 -11.141 -1.920 -2.660
111 H LYS 20 H LYS 20 -8.363 0.101 -1.799
112 HA LYS 20 HA LYS 20 -10.080 1.465 0.159
113 HB2 LYS 20 1HB LYS 20 -7.137 0.867 0.078
114 HB3 LYS 20 2HB LYS 20 -7.762 2.148 1.108
115 HG2 LYS 20 1HG LYS 20 -9.333 0.392 2.068
116 HG3 LYS 20 2HG LYS 20 -8.314 -0.796 1.251
117 HD2 LYS 20 1HD LYS 20 -6.350 0.191 2.451
118 HD3 LYS 20 2HD LYS 20 -7.486 1.178 3.374
119 HE2 LYS 20 1HE LYS 20 -6.960 -0.740 4.690
120 HE3 LYS 20 2HE LYS 20 -8.608 -0.937 4.095
121 HZ1 LYS 20 3HZ LYS 20 -7.298 -2.176 2.174
122 HZ2 LYS 20 1HZ LYS 20 -7.803 -2.970 3.580
123 HZ3 LYS 20 2HZ LYS 20 -6.202 -2.444 3.434
124 H VAL 21 H VAL 21 -9.311 3.762 0.670
125 HA VAL 21 HA VAL 21 -8.386 5.170 -1.730
126 HB VAL 21 HB VAL 21 -10.760 6.169 -0.168
127 HG11 VAL 21 1HG1 VAL 21 -9.749 6.855 -2.926
128 HG12 VAL 21 2HG1 VAL 21 -11.085 7.625 -2.068
129 HG13 VAL 21 3HG1 VAL 21 -9.435 7.799 -1.470
130 HG21 VAL 21 3HG2 VAL 21 -10.650 4.042 -2.143
131 HG22 VAL 21 1HG2 VAL 21 -11.976 4.543 -1.093
132 HG23 VAL 21 2HG2 VAL 21 -11.713 5.361 -2.633
133 H PHE 22 H PHE 22 -7.520 7.261 -1.334
134 HA PHE 22 HA PHE 22 -7.128 8.020 1.462
135 HB2 PHE 22 1HB PHE 22 -4.800 7.839 -0.452
136 HB3 PHE 22 2HB PHE 22 -4.748 8.181 1.275
137 HD1 PHE 22 HD2 PHE 22 -5.583 5.542 -1.192
138 HD2 PHE 22 HD1 PHE 22 -4.509 6.456 2.824
139 HE1 PHE 22 HE2 PHE 22 -5.273 3.145 -0.733
140 HE2 PHE 22 HE1 PHE 22 -4.197 4.060 3.289
141 HZ PHE 22 HZ PHE 22 -4.580 2.401 1.510
142 H THR 23 H THR 23 -6.546 10.212 1.771
143 HA THR 23 HA THR 23 -7.538 11.950 -0.315
144 HB THR 23 HB THR 23 -8.225 12.458 1.936
145 HG1 THR 23 HG1 THR 23 -8.091 14.419 1.131
146 HG21 THR 23 3HG2 THR 23 -5.933 13.453 3.203
147 HG22 THR 23 1HG2 THR 23 -5.467 11.884 2.547
148 HG23 THR 23 2HG2 THR 23 -6.850 12.009 3.634
149 H GLN 24 H GLN 24 -4.483 10.885 0.849
150 HA GLN 24 HA GLN 24 -3.149 12.892 -0.845
151 HB2 GLN 24 1HB GLN 24 -2.321 11.767 1.820
152 HB3 GLN 24 2HB GLN 24 -1.151 12.485 0.722
153 HG2 GLN 24 1HG GLN 24 -3.572 13.872 1.851
154 HG3 GLN 24 2HG GLN 24 -1.914 14.066 2.418
155 HE21 GLN 24 1HE2 GLN 24 -4.138 14.674 -0.202
156 HE22 GLN 24 2HE2 GLN 24 -3.204 15.907 -0.970
157 H ASN 25 H ASN 25 -1.644 12.177 -2.278
158 HA ASN 25 HA ASN 25 -1.730 9.537 -3.173
159 HB2 ASN 25 1HB ASN 25 -1.036 11.353 -4.631
160 HB3 ASN 25 2HB ASN 25 0.384 11.652 -3.632
161 HD21 ASN 25 1HD2 ASN 25 0.774 11.267 -6.242
162 HD22 ASN 25 2HD2 ASN 25 1.479 9.718 -6.543
163 H SER 26 H SER 26 0.969 11.176 -1.508
164 HA SER 26 HA SER 26 2.779 9.231 -1.199
165 HB2 SER 26 1HB SER 26 2.925 11.498 -0.168
166 HB3 SER 26 2HB SER 26 1.849 10.946 1.116
167 HG SER 26 HG SER 26 3.743 10.492 1.986
168 H HIS 27 H HIS 27 0.193 9.657 1.225
169 HA HIS 27 HA HIS 27 0.553 7.449 2.753
170 HB2 HIS 27 1HB HIS 27 -2.077 8.590 1.794
171 HB3 HIS 27 2HB HIS 27 -1.927 7.426 3.107
172 HD1 HIS 27 HD1 HIS 27 -0.623 10.896 2.245
173 HD2 HIS 27 HD2 HIS 27 -1.665 8.585 5.537
174 HE1 HIS 27 HE1 HIS 27 -0.408 12.421 4.233
175 H LEU 28 H LEU 28 -1.408 7.521 -0.222
176 HA LEU 28 HA LEU 28 -2.127 4.846 -0.297
177 HB2 LEU 28 1HB LEU 28 -3.177 6.298 -1.812
178 HB3 LEU 28 2HB LEU 28 -1.640 6.865 -2.461
179 HG LEU 28 HG LEU 28 -1.309 4.685 -3.546
180 HD11 LEU 28 1HD1 LEU 28 -3.874 3.580 -3.510
181 HD12 LEU 28 2HD1 LEU 28 -3.491 3.940 -1.827
182 HD13 LEU 28 3HD1 LEU 28 -2.411 2.920 -2.777
183 HD21 LEU 28 3HD2 LEU 28 -3.975 5.937 -4.195
184 HD22 LEU 28 1HD2 LEU 28 -2.986 4.954 -5.274
185 HD23 LEU 28 2HD2 LEU 28 -2.407 6.533 -4.742
186 H ALA 29 H ALA 29 0.674 6.386 -1.874
187 HA ALA 29 HA ALA 29 1.834 4.226 -3.080
188 HB1 ALA 29 3HB ALA 29 4.011 5.576 -2.031
189 HB2 ALA 29 1HB ALA 29 3.206 5.910 -3.565
190 HB3 ALA 29 2HB ALA 29 2.745 6.802 -2.115
191 H ARG 30 H ARG 30 2.130 5.172 0.325
192 HA ARG 30 HA ARG 30 3.955 3.129 1.038
193 HB2 ARG 30 1HB ARG 30 2.090 4.893 2.603
194 HB3 ARG 30 2HB ARG 30 3.022 3.629 3.396
195 HG2 ARG 30 1HG ARG 30 4.406 5.425 3.675
196 HG3 ARG 30 2HG ARG 30 5.035 4.761 2.165
197 HD2 ARG 30 1HD ARG 30 3.682 6.363 0.902
198 HD3 ARG 30 2HD ARG 30 3.056 7.024 2.412
199 HE ARG 30 HE ARG 30 5.038 8.150 2.716
200 HH11 ARG 30 1HH1 ARG 30 5.380 5.841 0.134
201 HH12 ARG 30 2HH1 ARG 30 6.917 6.450 -0.383
202 HH21 ARG 30 1HH2 ARG 30 7.061 8.962 2.045
203 HH22 ARG 30 2HH2 ARG 30 7.873 8.225 0.706
204 H HIS 31 H HIS 31 0.450 3.422 1.643
205 HA HIS 31 HA HIS 31 -0.112 1.078 2.863
206 HB2 HIS 31 1HB HIS 31 -1.909 2.564 2.428
207 HB3 HIS 31 2HB HIS 31 -1.645 2.496 0.689
208 HD1 HIS 31 HD1 HIS 31 -2.783 0.217 3.505
209 HD2 HIS 31 HD2 HIS 31 -3.206 0.686 -0.601
210 HE1 HIS 31 HE1 HIS 31 -4.485 -1.497 2.805
211 H ARG 32 H ARG 32 0.205 1.481 -0.659
212 HA ARG 32 HA ARG 32 -0.375 -0.966 -1.621
213 HB2 ARG 32 1HB ARG 32 2.004 0.747 -2.348
214 HB3 ARG 32 2HB ARG 32 1.475 -0.641 -3.290
215 HG2 ARG 32 1HG ARG 32 -0.703 0.455 -3.634
216 HG3 ARG 32 2HG ARG 32 -0.108 1.863 -2.752
217 HD2 ARG 32 1HD ARG 32 0.188 2.398 -5.017
218 HD3 ARG 32 2HD ARG 32 1.788 1.920 -4.451
219 HE ARG 32 HE ARG 32 1.692 0.056 -5.806
220 HH11 ARG 32 1HH1 ARG 32 -1.405 1.644 -5.727
221 HH12 ARG 32 2HH1 ARG 32 -2.057 0.724 -7.042
222 HH21 ARG 32 1HH2 ARG 32 0.845 -1.163 -7.539
223 HH22 ARG 32 2HH2 ARG 32 -0.776 -0.873 -8.071
224 H ARG 33 H ARG 33 2.573 -0.105 0.120
225 HA ARG 33 HA ARG 33 4.156 -2.292 -0.235
226 HB2 ARG 33 1HB ARG 33 3.628 -0.652 2.233
227 HB3 ARG 33 2HB ARG 33 4.811 -1.953 2.230
228 HG2 ARG 33 1HG ARG 33 4.870 0.359 0.307
229 HG3 ARG 33 2HG ARG 33 5.747 0.326 1.838
230 HD2 ARG 33 1HD ARG 33 6.062 -1.702 -0.371
231 HD3 ARG 33 2HD ARG 33 7.134 -0.326 -0.111
232 HE ARG 33 HE ARG 33 7.240 -1.534 2.266
233 HH11 ARG 33 1HH1 ARG 33 7.491 -2.808 -0.965
234 HH12 ARG 33 2HH1 ARG 33 8.538 -4.111 -0.509
235 HH21 ARG 33 1HH2 ARG 33 8.618 -3.246 2.878
236 HH22 ARG 33 2HH2 ARG 33 9.177 -4.360 1.677
237 H VAL 34 H VAL 34 1.413 -2.028 1.998
238 HA VAL 34 HA VAL 34 1.542 -4.341 3.407
239 HB VAL 34 HB VAL 34 -0.900 -4.390 3.479
240 HG11 VAL 34 1HG1 VAL 34 -1.236 -2.284 4.489
241 HG12 VAL 34 2HG1 VAL 34 0.476 -2.653 4.711
242 HG13 VAL 34 3HG1 VAL 34 -0.027 -1.513 3.463
243 HG21 VAL 34 3HG2 VAL 34 -1.814 -2.264 2.034
244 HG22 VAL 34 1HG2 VAL 34 -0.600 -2.944 0.951
245 HG23 VAL 34 2HG2 VAL 34 -1.926 -3.951 1.531
246 H HIS 35 H HIS 35 0.696 -4.002 0.019
247 HA HIS 35 HA HIS 35 0.056 -6.830 -0.221
248 HB2 HIS 35 1HB HIS 35 0.133 -4.648 -2.316
249 HB3 HIS 35 2HB HIS 35 -0.448 -6.290 -2.573
250 HD1 HIS 35 HD1 HIS 35 -2.557 -6.939 -0.904
251 HD2 HIS 35 HD2 HIS 35 -1.825 -2.914 -1.632
252 HE1 HIS 35 HE1 HIS 35 -4.687 -5.748 -0.299
253 H THR 36 H THR 36 2.371 -7.214 0.548
254 HA THR 36 HA THR 36 4.060 -7.550 -1.832
255 HB THR 36 HB THR 36 6.076 -7.059 -0.447
256 HG1 THR 36 HG1 THR 36 5.764 -6.009 1.540
257 HG21 THR 36 3HG2 THR 36 5.437 -4.501 -0.216
258 HG22 THR 36 1HG2 THR 36 4.015 -5.017 -1.121
259 HG23 THR 36 2HG2 THR 36 5.626 -5.261 -1.796
260 H GLY 37 H GLY 37 4.172 -9.687 -2.100
261 HA2 GLY 37 1HA GLY 37 5.088 -11.788 -1.555
262 HA3 GLY 37 2HA GLY 37 5.105 -11.317 0.138
263 H GLY 38 H GLY 38 2.879 -12.119 -2.517
264 HA2 GLY 38 1HA GLY 38 1.395 -14.060 -2.025
265 HA3 GLY 38 2HA GLY 38 1.072 -13.277 -0.485
266 H LYS 39 H LYS 39 -0.596 -14.051 -2.929
267 HA LYS 39 HA LYS 39 -1.684 -11.435 -3.652
268 HB2 LYS 39 1HB LYS 39 -2.107 -14.216 -4.732
269 HB3 LYS 39 2HB LYS 39 -3.136 -12.868 -5.198
270 HG2 LYS 39 1HG LYS 39 -1.628 -12.777 -6.887
271 HG3 LYS 39 2HG LYS 39 -0.801 -11.740 -5.722
272 HD2 LYS 39 1HD LYS 39 0.849 -13.223 -6.504
273 HD3 LYS 39 2HD LYS 39 0.379 -13.852 -4.923
274 HE2 LYS 39 1HE LYS 39 0.424 -15.754 -6.255
275 HE3 LYS 39 2HE LYS 39 -1.283 -15.312 -6.250
276 HZ1 LYS 39 3HZ LYS 39 -0.628 -14.014 -8.379
277 HZ2 LYS 39 1HZ LYS 39 -0.893 -15.683 -8.465
278 HZ3 LYS 39 2HZ LYS 39 0.686 -15.079 -8.419
279 HA PRO 40 HA PRO 40 -4.859 -11.886 -0.584
280 HB2 PRO 40 1HB PRO 40 -6.339 -9.744 -1.351
281 HB3 PRO 40 2HB PRO 40 -4.827 -9.593 -0.447
282 HG2 PRO 40 1HG PRO 40 -5.317 -9.281 -3.384
283 HG3 PRO 40 2HG PRO 40 -4.321 -8.287 -2.304
284 HD2 PRO 40 1HD PRO 40 -3.265 -10.165 -3.944
285 HD3 PRO 40 2HD PRO 40 -2.555 -9.767 -2.366
286 H SER 41 H SER 41 -7.241 -12.077 -0.522
287 HA SER 41 HA SER 41 -8.160 -13.706 -2.724
288 HB2 SER 41 1HB SER 41 -9.270 -13.019 -0.012
289 HB3 SER 41 2HB SER 41 -10.254 -13.856 -1.212
290 HG SER 41 HG SER 41 -9.055 -15.606 -1.001
291 H GLY 42 H GLY 42 -8.955 -12.751 -4.480
292 HA2 GLY 42 1HA GLY 42 -11.304 -11.435 -4.711
293 HA3 GLY 42 2HA GLY 42 -10.180 -10.135 -4.348
294 HA PRO 43 HA PRO 43 -8.817 -9.885 -8.505
295 HB2 PRO 43 1HB PRO 43 -6.106 -9.935 -8.382
296 HB3 PRO 43 2HB PRO 43 -7.067 -8.557 -7.831
297 HG2 PRO 43 1HG PRO 43 -5.835 -10.768 -6.232
298 HG3 PRO 43 2HG PRO 43 -5.883 -9.029 -5.886
299 HD2 PRO 43 1HD PRO 43 -7.565 -10.796 -4.710
300 HD3 PRO 43 2HD PRO 43 -8.037 -9.124 -5.072
301 H SER 44 H SER 44 -7.330 -10.896 -10.219
302 HA SER 44 HA SER 44 -7.991 -13.422 -10.824
303 HB2 SER 44 1HB SER 44 -6.214 -13.490 -12.370
304 HB3 SER 44 2HB SER 44 -6.525 -11.768 -12.153
305 HG SER 44 HG SER 44 -4.518 -11.627 -11.586
306 H SER 45 H SER 45 -7.787 -15.343 -9.905
307 HA SER 45 HA SER 45 -5.848 -15.716 -7.765
308 HB2 SER 45 1HB SER 45 -8.341 -17.100 -8.641
309 HB3 SER 45 2HB SER 45 -7.142 -18.046 -7.759
310 HG SER 45 HG SER 45 -7.794 -15.546 -6.725
311 H GLY 46 H GLY 46 -4.406 -17.504 -7.678
312 HA2 GLY 46 1HA GLY 46 -4.000 -19.114 -10.049
313 HA3 GLY 46 2HA GLY 46 -2.740 -17.925 -9.756
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -16.159 -3.023 6.998
2 HA2 GLY 1 1HA GLY 1 -19.015 -3.047 6.916
3 HA3 GLY 1 2HA GLY 1 -18.423 -2.479 8.470
4 H SER 2 H SER 2 -19.826 -0.650 7.377
5 HA SER 2 HA SER 2 -18.063 1.486 6.843
6 HB2 SER 2 1HB SER 2 -17.793 0.618 4.636
7 HB3 SER 2 2HB SER 2 -19.523 0.321 4.468
8 HG SER 2 HG SER 2 -18.548 2.302 3.462
9 H SER 3 H SER 3 -19.121 3.506 6.778
10 HA SER 3 HA SER 3 -21.940 3.373 7.610
11 HB2 SER 3 1HB SER 3 -20.072 4.362 9.131
12 HB3 SER 3 2HB SER 3 -20.172 5.761 8.063
13 HG SER 3 HG SER 3 -22.017 4.784 9.904
14 H GLY 4 H GLY 4 -23.424 4.932 6.827
15 HA2 GLY 4 1HA GLY 4 -23.670 5.350 4.200
16 HA3 GLY 4 2HA GLY 4 -24.234 6.546 5.358
17 H SER 5 H SER 5 -23.194 6.931 2.654
18 HA SER 5 HA SER 5 -20.618 7.772 2.402
19 HB2 SER 5 1HB SER 5 -21.365 9.307 0.684
20 HB3 SER 5 2HB SER 5 -22.352 7.847 0.606
21 HG SER 5 HG SER 5 -23.245 10.255 0.758
22 H SER 6 H SER 6 -19.466 8.888 3.836
23 HA SER 6 HA SER 6 -20.269 10.532 5.840
24 HB2 SER 6 1HB SER 6 -17.776 10.739 4.143
25 HB3 SER 6 2HB SER 6 -18.019 11.665 5.624
26 HG SER 6 HG SER 6 -16.877 9.541 5.747
27 H GLY 7 H GLY 7 -19.416 11.609 2.551
28 HA2 GLY 7 1HA GLY 7 -21.213 13.284 1.761
29 HA3 GLY 7 2HA GLY 7 -20.663 14.206 3.153
30 H THR 8 H THR 8 -18.285 14.691 3.199
31 HA THR 8 HA THR 8 -17.502 15.650 0.560
32 HB THR 8 HB THR 8 -17.435 17.242 2.424
33 HG1 THR 8 HG1 THR 8 -15.182 16.535 0.954
34 HG21 THR 8 3HG2 THR 8 -16.521 16.802 4.419
35 HG22 THR 8 1HG2 THR 8 -15.039 16.184 3.691
36 HG23 THR 8 2HG2 THR 8 -16.433 15.122 3.890
37 H GLY 9 H GLY 9 -16.048 14.642 -0.658
38 HA2 GLY 9 1HA GLY 9 -14.081 12.890 0.679
39 HA3 GLY 9 2HA GLY 9 -14.926 12.382 -0.775
40 H GLU 10 H GLU 10 -14.238 13.088 -2.756
41 HA GLU 10 HA GLU 10 -12.913 14.077 -4.331
42 HB2 GLU 10 1HB GLU 10 -13.266 16.110 -2.692
43 HB3 GLU 10 2HB GLU 10 -11.579 15.816 -2.296
44 HG2 GLU 10 1HG GLU 10 -11.736 17.513 -3.991
45 HG3 GLU 10 2HG GLU 10 -10.995 16.064 -4.668
46 H LYS 11 H LYS 11 -12.134 11.709 -3.179
47 HA LYS 11 HA LYS 11 -9.204 11.996 -3.025
48 HB2 LYS 11 1HB LYS 11 -10.876 9.803 -1.788
49 HB3 LYS 11 2HB LYS 11 -9.137 10.011 -1.628
50 HG2 LYS 11 1HG LYS 11 -9.535 12.150 -0.462
51 HG3 LYS 11 2HG LYS 11 -11.271 11.844 -0.554
52 HD2 LYS 11 1HD LYS 11 -9.539 9.726 0.611
53 HD3 LYS 11 2HD LYS 11 -9.837 11.175 1.575
54 HE2 LYS 11 1HE LYS 11 -11.615 9.920 2.246
55 HE3 LYS 11 2HE LYS 11 -12.337 10.698 0.838
56 HZ1 LYS 11 3HZ LYS 11 -12.817 8.381 0.749
57 HZ2 LYS 11 1HZ LYS 11 -11.193 7.963 0.976
58 HZ3 LYS 11 2HZ LYS 11 -11.681 8.709 -0.462
59 HA PRO 12 HA PRO 12 -10.004 9.685 -6.896
60 HB2 PRO 12 1HB PRO 12 -7.791 10.627 -8.156
61 HB3 PRO 12 2HB PRO 12 -9.317 11.517 -8.102
62 HG2 PRO 12 1HG PRO 12 -6.862 11.864 -6.425
63 HG3 PRO 12 2HG PRO 12 -7.892 13.100 -7.170
64 HD2 PRO 12 1HD PRO 12 -8.075 12.437 -4.551
65 HD3 PRO 12 2HD PRO 12 -9.478 12.964 -5.503
66 H TYR 13 H TYR 13 -7.488 9.733 -4.575
67 HA TYR 13 HA TYR 13 -5.886 7.676 -5.805
68 HB2 TYR 13 1HB TYR 13 -5.798 8.736 -2.973
69 HB3 TYR 13 2HB TYR 13 -4.563 7.759 -3.759
70 HD1 TYR 13 HD1 TYR 13 -3.096 8.730 -5.450
71 HD2 TYR 13 HD2 TYR 13 -6.036 11.092 -3.478
72 HE1 TYR 13 HE1 TYR 13 -1.986 10.773 -6.253
73 HE2 TYR 13 HE2 TYR 13 -4.934 13.140 -4.277
74 HH TYR 13 HH TYR 13 -3.008 13.377 -6.680
75 H LYS 14 H LYS 14 -6.561 5.646 -5.890
76 HA LYS 14 HA LYS 14 -7.815 4.479 -3.502
77 HB2 LYS 14 1HB LYS 14 -9.617 4.909 -5.063
78 HB3 LYS 14 2HB LYS 14 -8.727 4.124 -6.361
79 HG2 LYS 14 1HG LYS 14 -10.121 2.428 -5.795
80 HG3 LYS 14 2HG LYS 14 -8.796 2.081 -4.681
81 HD2 LYS 14 1HD LYS 14 -9.975 2.770 -2.848
82 HD3 LYS 14 2HD LYS 14 -10.933 3.933 -3.767
83 HE2 LYS 14 1HE LYS 14 -12.007 1.878 -4.865
84 HE3 LYS 14 2HE LYS 14 -11.290 0.961 -3.542
85 HZ1 LYS 14 3HZ LYS 14 -13.067 1.508 -2.359
86 HZ2 LYS 14 1HZ LYS 14 -13.619 2.586 -3.540
87 HZ3 LYS 14 2HZ LYS 14 -12.529 3.112 -2.359
88 H CYS 15 H CYS 15 -7.360 2.306 -3.120
89 HA CYS 15 HA CYS 15 -4.938 1.349 -4.412
90 HB2 CYS 15 1HB CYS 15 -5.115 1.307 -1.951
91 HB3 CYS 15 2HB CYS 15 -6.485 0.208 -2.075
92 H ASN 16 H ASN 16 -4.919 -0.110 -5.984
93 HA ASN 16 HA ASN 16 -7.390 -1.414 -6.760
94 HB2 ASN 16 1HB ASN 16 -4.645 -1.298 -8.016
95 HB3 ASN 16 2HB ASN 16 -5.968 -2.248 -8.685
96 HD21 ASN 16 1HD2 ASN 16 -4.416 0.235 -9.522
97 HD22 ASN 16 2HD2 ASN 16 -5.652 1.350 -9.988
98 H GLU 17 H GLU 17 -5.613 -2.140 -4.343
99 HA GLU 17 HA GLU 17 -5.194 -4.977 -4.984
100 HB2 GLU 17 1HB GLU 17 -4.227 -3.565 -2.505
101 HB3 GLU 17 2HB GLU 17 -3.668 -5.092 -3.173
102 HG2 GLU 17 1HG GLU 17 -3.234 -2.352 -4.335
103 HG3 GLU 17 2HG GLU 17 -2.027 -3.383 -3.569
104 H CYS 18 H CYS 18 -6.430 -2.908 -2.359
105 HA CYS 18 HA CYS 18 -8.187 -5.131 -1.553
106 HB2 CYS 18 1HB CYS 18 -8.288 -4.008 0.663
107 HB3 CYS 18 2HB CYS 18 -6.661 -4.516 0.222
108 H GLY 19 H GLY 19 -8.058 -1.587 -1.857
109 HA2 GLY 19 1HA GLY 19 -9.953 -0.656 -3.209
110 HA3 GLY 19 2HA GLY 19 -10.996 -1.618 -2.171
111 H LYS 20 H LYS 20 -8.173 0.273 -1.203
112 HA LYS 20 HA LYS 20 -9.937 1.842 0.550
113 HB2 LYS 20 1HB LYS 20 -7.033 1.076 0.730
114 HB3 LYS 20 2HB LYS 20 -7.685 2.404 1.681
115 HG2 LYS 20 1HG LYS 20 -9.393 0.767 2.564
116 HG3 LYS 20 2HG LYS 20 -8.429 -0.504 1.807
117 HD2 LYS 20 1HD LYS 20 -6.497 0.144 3.135
118 HD3 LYS 20 2HD LYS 20 -7.414 1.470 3.854
119 HE2 LYS 20 1HE LYS 20 -7.613 -0.138 5.483
120 HE3 LYS 20 2HE LYS 20 -9.067 -0.441 4.533
121 HZ1 LYS 20 3HZ LYS 20 -6.820 -2.140 4.993
122 HZ2 LYS 20 1HZ LYS 20 -7.141 -1.967 3.341
123 HZ3 LYS 20 2HZ LYS 20 -8.351 -2.524 4.383
124 H VAL 21 H VAL 21 -9.931 4.050 0.516
125 HA VAL 21 HA VAL 21 -8.480 5.295 -1.720
126 HB VAL 21 HB VAL 21 -10.765 6.605 -0.286
127 HG11 VAL 21 1HG1 VAL 21 -11.038 7.806 -2.332
128 HG12 VAL 21 2HG1 VAL 21 -9.325 7.849 -1.910
129 HG13 VAL 21 3HG1 VAL 21 -9.898 6.752 -3.167
130 HG21 VAL 21 3HG2 VAL 21 -11.759 5.412 -2.635
131 HG22 VAL 21 1HG2 VAL 21 -10.920 4.146 -1.740
132 HG23 VAL 21 2HG2 VAL 21 -12.213 5.063 -0.967
133 H PHE 22 H PHE 22 -7.366 7.231 -1.431
134 HA PHE 22 HA PHE 22 -6.985 8.121 1.344
135 HB2 PHE 22 1HB PHE 22 -4.774 7.699 -0.678
136 HB3 PHE 22 2HB PHE 22 -4.573 8.351 0.945
137 HD1 PHE 22 HD1 PHE 22 -4.867 6.901 2.908
138 HD2 PHE 22 HD2 PHE 22 -5.004 5.362 -1.059
139 HE1 PHE 22 HE1 PHE 22 -4.548 4.623 3.783
140 HE2 PHE 22 HE2 PHE 22 -4.686 3.083 -0.189
141 HZ PHE 22 HZ PHE 22 -4.458 2.711 2.235
142 H THR 23 H THR 23 -6.331 10.307 1.593
143 HA THR 23 HA THR 23 -7.439 12.050 -0.401
144 HB THR 23 HB THR 23 -7.737 12.572 1.965
145 HG1 THR 23 HG1 THR 23 -6.422 14.325 0.232
146 HG21 THR 23 3HG2 THR 23 -5.708 13.508 3.193
147 HG22 THR 23 1HG2 THR 23 -4.731 12.709 1.962
148 HG23 THR 23 2HG2 THR 23 -5.784 11.756 3.007
149 H GLN 24 H GLN 24 -4.227 11.122 0.648
150 HA GLN 24 HA GLN 24 -3.087 12.903 -1.403
151 HB2 GLN 24 1HB GLN 24 -1.911 11.884 1.181
152 HB3 GLN 24 2HB GLN 24 -0.943 12.645 -0.075
153 HG2 GLN 24 1HG GLN 24 -3.233 13.914 1.409
154 HG3 GLN 24 2HG GLN 24 -1.518 14.227 1.671
155 HE21 GLN 24 1HE2 GLN 24 -4.280 15.151 0.014
156 HE22 GLN 24 2HE2 GLN 24 -3.550 16.218 -1.132
157 H ASN 25 H ASN 25 -0.891 12.030 -2.207
158 HA ASN 25 HA ASN 25 -1.395 9.400 -3.292
159 HB2 ASN 25 1HB ASN 25 0.774 9.859 -4.534
160 HB3 ASN 25 2HB ASN 25 -0.545 10.982 -4.850
161 HD21 ASN 25 1HD2 ASN 25 -0.093 13.057 -4.729
162 HD22 ASN 25 2HD2 ASN 25 1.264 13.755 -3.919
163 H SER 26 H SER 26 0.966 10.925 -1.149
164 HA SER 26 HA SER 26 2.815 8.918 -0.853
165 HB2 SER 26 1HB SER 26 3.104 9.786 1.506
166 HB3 SER 26 2HB SER 26 3.179 11.015 0.243
167 HG SER 26 HG SER 26 1.839 11.785 1.832
168 H HIS 27 H HIS 27 0.043 9.386 1.347
169 HA HIS 27 HA HIS 27 0.213 7.131 2.849
170 HB2 HIS 27 1HB HIS 27 -2.385 8.196 1.727
171 HB3 HIS 27 2HB HIS 27 -2.179 7.270 3.211
172 HD1 HIS 27 HD1 HIS 27 -3.482 10.099 3.152
173 HD2 HIS 27 HD2 HIS 27 0.503 9.329 4.038
174 HE1 HIS 27 HE1 HIS 27 -2.704 12.066 4.513
175 H LEU 28 H LEU 28 -1.236 7.375 -0.376
176 HA LEU 28 HA LEU 28 -2.167 4.734 -0.555
177 HB2 LEU 28 1HB LEU 28 -2.962 6.333 -2.112
178 HB3 LEU 28 2HB LEU 28 -1.329 6.731 -2.641
179 HG LEU 28 HG LEU 28 -1.150 4.503 -3.682
180 HD11 LEU 28 1HD1 LEU 28 -2.954 3.571 -2.066
181 HD12 LEU 28 2HD1 LEU 28 -2.856 2.950 -3.714
182 HD13 LEU 28 3HD1 LEU 28 -4.089 4.137 -3.292
183 HD21 LEU 28 3HD2 LEU 28 -3.520 5.224 -5.068
184 HD22 LEU 28 1HD2 LEU 28 -1.843 5.544 -5.512
185 HD23 LEU 28 2HD2 LEU 28 -2.730 6.705 -4.524
186 H ALA 29 H ALA 29 0.871 6.180 -1.720
187 HA ALA 29 HA ALA 29 1.985 3.825 -2.760
188 HB1 ALA 29 3HB ALA 29 3.955 5.016 -3.019
189 HB2 ALA 29 1HB ALA 29 2.733 6.288 -3.024
190 HB3 ALA 29 2HB ALA 29 3.683 5.982 -1.569
191 H ARG 30 H ARG 30 2.074 5.223 0.478
192 HA ARG 30 HA ARG 30 3.924 3.279 1.497
193 HB2 ARG 30 1HB ARG 30 2.096 5.166 2.995
194 HB3 ARG 30 2HB ARG 30 3.452 4.278 3.678
195 HG2 ARG 30 1HG ARG 30 4.790 5.548 1.797
196 HG3 ARG 30 2HG ARG 30 3.439 6.676 1.929
197 HD2 ARG 30 1HD ARG 30 4.829 7.562 3.507
198 HD3 ARG 30 2HD ARG 30 3.938 6.417 4.509
199 HE ARG 30 HE ARG 30 6.211 5.149 3.450
200 HH11 ARG 30 1HH1 ARG 30 5.327 7.598 5.760
201 HH12 ARG 30 2HH1 ARG 30 6.715 7.336 6.764
202 HH21 ARG 30 1HH2 ARG 30 8.042 4.795 4.763
203 HH22 ARG 30 2HH2 ARG 30 8.259 5.743 6.196
204 H HIS 31 H HIS 31 0.631 3.246 0.781
205 HA HIS 31 HA HIS 31 -0.028 1.249 2.805
206 HB2 HIS 31 1HB HIS 31 -1.736 2.886 2.482
207 HB3 HIS 31 2HB HIS 31 -1.682 2.692 0.732
208 HD1 HIS 31 HD1 HIS 31 -2.715 0.767 3.829
209 HD2 HIS 31 HD2 HIS 31 -3.431 0.850 -0.263
210 HE1 HIS 31 HE1 HIS 31 -4.584 -0.870 3.440
211 H ARG 32 H ARG 32 -0.123 1.564 -0.744
212 HA ARG 32 HA ARG 32 -0.891 -0.945 -1.476
213 HB2 ARG 32 1HB ARG 32 1.248 0.775 -2.740
214 HB3 ARG 32 2HB ARG 32 0.549 -0.647 -3.503
215 HG2 ARG 32 1HG ARG 32 -1.700 0.492 -3.242
216 HG3 ARG 32 2HG ARG 32 -0.795 1.951 -2.834
217 HD2 ARG 32 1HD ARG 32 -0.273 0.387 -5.346
218 HD3 ARG 32 2HD ARG 32 -1.495 1.656 -5.266
219 HE ARG 32 HE ARG 32 0.945 2.657 -4.296
220 HH11 ARG 32 1HH1 ARG 32 -0.552 1.633 -7.268
221 HH12 ARG 32 2HH1 ARG 32 0.409 2.676 -8.263
222 HH21 ARG 32 1HH2 ARG 32 2.217 4.034 -5.596
223 HH22 ARG 32 2HH2 ARG 32 1.984 4.040 -7.312
224 H ARG 33 H ARG 33 2.370 0.068 -0.529
225 HA ARG 33 HA ARG 33 3.808 -2.207 -1.075
226 HB2 ARG 33 1HB ARG 33 5.401 -1.478 0.513
227 HB3 ARG 33 2HB ARG 33 4.642 -0.014 -0.097
228 HG2 ARG 33 1HG ARG 33 3.363 0.255 1.877
229 HG3 ARG 33 2HG ARG 33 3.787 -1.360 2.449
230 HD2 ARG 33 1HD ARG 33 6.066 -0.711 2.789
231 HD3 ARG 33 2HD ARG 33 5.790 0.846 2.008
232 HE ARG 33 HE ARG 33 4.818 1.627 3.950
233 HH11 ARG 33 1HH1 ARG 33 5.366 -1.804 4.176
234 HH12 ARG 33 2HH1 ARG 33 5.039 -1.875 5.876
235 HH21 ARG 33 1HH2 ARG 33 4.386 1.545 6.188
236 HH22 ARG 33 2HH2 ARG 33 4.481 0.030 7.019
237 H VAL 34 H VAL 34 1.569 -1.627 1.562
238 HA VAL 34 HA VAL 34 2.149 -3.645 3.321
239 HB VAL 34 HB VAL 34 -0.129 -3.620 4.033
240 HG11 VAL 34 1HG1 VAL 34 -0.483 -0.931 3.469
241 HG12 VAL 34 2HG1 VAL 34 0.393 -1.610 4.843
242 HG13 VAL 34 3HG1 VAL 34 1.262 -1.165 3.374
243 HG21 VAL 34 3HG2 VAL 34 -1.533 -2.026 2.232
244 HG22 VAL 34 1HG2 VAL 34 -0.651 -3.177 1.228
245 HG23 VAL 34 2HG2 VAL 34 -1.732 -3.759 2.494
246 H HIS 35 H HIS 35 0.907 -3.925 0.105
247 HA HIS 35 HA HIS 35 0.152 -6.717 0.484
248 HB2 HIS 35 1HB HIS 35 0.023 -4.991 -1.998
249 HB3 HIS 35 2HB HIS 35 -0.657 -6.607 -1.828
250 HD1 HIS 35 HD1 HIS 35 -2.831 -6.840 -0.444
251 HD2 HIS 35 HD2 HIS 35 -1.463 -2.935 -0.823
252 HE1 HIS 35 HE1 HIS 35 -4.736 -5.383 0.314
253 H THR 36 H THR 36 2.272 -4.854 -1.698
254 HA THR 36 HA THR 36 3.559 -6.880 -2.997
255 HB THR 36 HB THR 36 5.512 -5.404 -3.222
256 HG1 THR 36 HG1 THR 36 4.484 -4.348 -0.920
257 HG21 THR 36 3HG2 THR 36 4.461 -3.847 -4.545
258 HG22 THR 36 1HG2 THR 36 3.186 -3.544 -3.366
259 HG23 THR 36 2HG2 THR 36 3.156 -5.015 -4.339
260 H GLY 37 H GLY 37 4.904 -8.489 -2.476
261 HA2 GLY 37 1HA GLY 37 6.048 -8.478 0.247
262 HA3 GLY 37 2HA GLY 37 5.572 -9.930 -0.621
263 H GLY 38 H GLY 38 7.486 -11.002 -0.694
264 HA2 GLY 38 1HA GLY 38 9.281 -11.139 -2.493
265 HA3 GLY 38 2HA GLY 38 9.779 -9.570 -1.877
266 H LYS 39 H LYS 39 9.436 -12.982 -1.052
267 HA LYS 39 HA LYS 39 10.401 -13.178 1.456
268 HB2 LYS 39 1HB LYS 39 11.324 -14.877 -0.869
269 HB3 LYS 39 2HB LYS 39 11.434 -15.320 0.829
270 HG2 LYS 39 1HG LYS 39 9.109 -15.547 1.034
271 HG3 LYS 39 2HG LYS 39 8.809 -14.691 -0.481
272 HD2 LYS 39 1HD LYS 39 8.503 -16.863 -1.158
273 HD3 LYS 39 2HD LYS 39 10.224 -16.661 -1.497
274 HE2 LYS 39 1HE LYS 39 10.830 -17.800 0.505
275 HE3 LYS 39 2HE LYS 39 9.165 -17.790 1.086
276 HZ1 LYS 39 3HZ LYS 39 10.211 -19.892 -0.066
277 HZ2 LYS 39 1HZ LYS 39 9.707 -19.098 -1.473
278 HZ3 LYS 39 2HZ LYS 39 8.581 -19.494 -0.275
279 HA PRO 40 HA PRO 40 14.416 -11.399 1.667
280 HB2 PRO 40 1HB PRO 40 15.452 -12.829 3.729
281 HB3 PRO 40 2HB PRO 40 14.222 -11.579 3.949
282 HG2 PRO 40 1HG PRO 40 13.899 -14.552 3.819
283 HG3 PRO 40 2HG PRO 40 13.137 -13.391 4.922
284 HD2 PRO 40 1HD PRO 40 11.856 -14.406 2.764
285 HD3 PRO 40 2HD PRO 40 11.552 -12.766 3.370
286 H SER 41 H SER 41 13.838 -14.405 0.456
287 HA SER 41 HA SER 41 16.127 -15.880 0.510
288 HB2 SER 41 1HB SER 41 15.533 -16.681 -1.759
289 HB3 SER 41 2HB SER 41 14.131 -16.609 -0.692
290 HG SER 41 HG SER 41 14.509 -15.382 -3.033
291 H GLY 42 H GLY 42 17.714 -16.163 -1.384
292 HA2 GLY 42 1HA GLY 42 19.426 -13.966 -1.475
293 HA3 GLY 42 2HA GLY 42 19.501 -15.342 -2.566
294 HA PRO 43 HA PRO 43 18.459 -12.656 -5.877
295 HB2 PRO 43 1HB PRO 43 17.387 -14.449 -7.610
296 HB3 PRO 43 2HB PRO 43 19.120 -14.355 -7.277
297 HG2 PRO 43 1HG PRO 43 17.077 -16.241 -6.166
298 HG3 PRO 43 2HG PRO 43 18.723 -16.580 -6.732
299 HD2 PRO 43 1HD PRO 43 18.107 -16.336 -4.107
300 HD3 PRO 43 2HD PRO 43 19.684 -15.856 -4.766
301 H SER 44 H SER 44 16.809 -11.308 -6.217
302 HA SER 44 HA SER 44 14.075 -12.278 -6.262
303 HB2 SER 44 1HB SER 44 13.340 -10.532 -4.609
304 HB3 SER 44 2HB SER 44 14.296 -11.836 -3.906
305 HG SER 44 HG SER 44 16.075 -10.475 -3.872
306 H SER 45 H SER 45 12.544 -10.364 -6.699
307 HA SER 45 HA SER 45 13.486 -9.040 -9.037
308 HB2 SER 45 1HB SER 45 10.919 -8.608 -7.489
309 HB3 SER 45 2HB SER 45 11.243 -8.043 -9.127
310 HG SER 45 HG SER 45 10.376 -9.904 -9.625
311 H GLY 46 H GLY 46 15.178 -7.679 -8.478
312 HA2 GLY 46 1HA GLY 46 15.945 -5.518 -8.101
313 HA3 GLY 46 2HA GLY 46 14.368 -5.102 -7.447
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -35.993 -5.107 0.296
2 HA2 GLY 1 1HA GLY 1 -37.101 -2.924 0.824
3 HA3 GLY 1 2HA GLY 1 -36.983 -3.980 2.223
4 H SER 2 H SER 2 -34.762 -3.762 3.381
5 HA SER 2 HA SER 2 -34.535 -0.985 4.132
6 HB2 SER 2 1HB SER 2 -34.505 -2.901 5.775
7 HB3 SER 2 2HB SER 2 -32.904 -3.316 5.161
8 HG SER 2 HG SER 2 -32.135 -1.359 5.891
9 H SER 3 H SER 3 -32.660 0.279 4.049
10 HA SER 3 HA SER 3 -30.549 -0.694 2.242
11 HB2 SER 3 1HB SER 3 -30.416 1.631 1.319
12 HB3 SER 3 2HB SER 3 -31.930 0.808 0.947
13 HG SER 3 HG SER 3 -32.766 2.565 1.760
14 H GLY 4 H GLY 4 -28.500 0.516 2.435
15 HA2 GLY 4 1HA GLY 4 -28.091 1.388 5.227
16 HA3 GLY 4 2HA GLY 4 -26.878 0.561 4.262
17 H SER 5 H SER 5 -25.444 2.306 4.809
18 HA SER 5 HA SER 5 -25.996 4.785 3.317
19 HB2 SER 5 1HB SER 5 -24.185 4.345 5.704
20 HB3 SER 5 2HB SER 5 -24.364 5.872 4.839
21 HG SER 5 HG SER 5 -26.257 4.501 6.421
22 H SER 6 H SER 6 -24.381 5.676 2.020
23 HA SER 6 HA SER 6 -22.532 3.733 0.928
24 HB2 SER 6 1HB SER 6 -23.964 5.358 -0.444
25 HB3 SER 6 2HB SER 6 -22.817 6.604 0.046
26 HG SER 6 HG SER 6 -21.714 5.919 -1.606
27 H GLY 7 H GLY 7 -22.319 7.001 2.332
28 HA2 GLY 7 1HA GLY 7 -20.622 7.528 3.956
29 HA3 GLY 7 2HA GLY 7 -19.579 6.340 3.188
30 H THR 8 H THR 8 -20.686 9.606 3.183
31 HA THR 8 HA THR 8 -19.671 10.412 0.670
32 HB THR 8 HB THR 8 -19.811 12.706 1.531
33 HG1 THR 8 HG1 THR 8 -19.180 11.845 3.776
34 HG21 THR 8 3HG2 THR 8 -21.857 11.459 0.789
35 HG22 THR 8 1HG2 THR 8 -22.172 12.776 1.918
36 HG23 THR 8 2HG2 THR 8 -22.184 11.106 2.485
37 H GLY 9 H GLY 9 -17.592 9.928 0.202
38 HA2 GLY 9 1HA GLY 9 -15.501 11.479 1.217
39 HA3 GLY 9 2HA GLY 9 -15.464 9.935 2.057
40 H GLU 10 H GLU 10 -15.705 11.236 -1.252
41 HA GLU 10 HA GLU 10 -14.189 8.909 -2.203
42 HB2 GLU 10 1HB GLU 10 -15.026 9.371 -4.385
43 HB3 GLU 10 2HB GLU 10 -16.387 9.502 -3.280
44 HG2 GLU 10 1HG GLU 10 -16.566 11.766 -3.539
45 HG3 GLU 10 2HG GLU 10 -14.865 11.963 -3.959
46 H LYS 11 H LYS 11 -12.301 9.127 -3.380
47 HA LYS 11 HA LYS 11 -11.200 11.803 -3.772
48 HB2 LYS 11 1HB LYS 11 -10.102 9.723 -1.930
49 HB3 LYS 11 2HB LYS 11 -8.975 10.738 -2.821
50 HG2 LYS 11 1HG LYS 11 -9.189 11.992 -0.945
51 HG3 LYS 11 2HG LYS 11 -10.532 12.660 -1.876
52 HD2 LYS 11 1HD LYS 11 -12.110 11.295 -0.703
53 HD3 LYS 11 2HD LYS 11 -10.818 10.393 0.092
54 HE2 LYS 11 1HE LYS 11 -11.291 13.349 0.449
55 HE3 LYS 11 2HE LYS 11 -11.923 12.110 1.532
56 HZ1 LYS 11 3HZ LYS 11 -9.164 11.700 1.158
57 HZ2 LYS 11 1HZ LYS 11 -9.994 12.066 2.586
58 HZ3 LYS 11 2HZ LYS 11 -9.418 13.313 1.600
59 HA PRO 12 HA PRO 12 -9.519 10.140 -7.468
60 HB2 PRO 12 1HB PRO 12 -7.162 11.470 -7.680
61 HB3 PRO 12 2HB PRO 12 -8.729 12.245 -7.941
62 HG2 PRO 12 1HG PRO 12 -6.981 12.276 -5.510
63 HG3 PRO 12 2HG PRO 12 -7.875 13.610 -6.263
64 HD2 PRO 12 1HD PRO 12 -8.778 12.305 -4.068
65 HD3 PRO 12 2HD PRO 12 -9.870 12.987 -5.291
66 H TYR 13 H TYR 13 -7.648 9.920 -4.544
67 HA TYR 13 HA TYR 13 -5.812 7.979 -5.721
68 HB2 TYR 13 1HB TYR 13 -5.886 9.021 -2.884
69 HB3 TYR 13 2HB TYR 13 -4.578 8.126 -3.648
70 HD1 TYR 13 HD1 TYR 13 -3.086 9.211 -5.235
71 HD2 TYR 13 HD2 TYR 13 -6.235 11.374 -3.362
72 HE1 TYR 13 HE1 TYR 13 -2.049 11.325 -5.945
73 HE2 TYR 13 HE2 TYR 13 -5.207 13.494 -4.068
74 HH TYR 13 HH TYR 13 -3.628 14.433 -5.364
75 H LYS 14 H LYS 14 -6.633 5.996 -5.907
76 HA LYS 14 HA LYS 14 -7.810 4.763 -3.519
77 HB2 LYS 14 1HB LYS 14 -9.727 5.300 -4.839
78 HB3 LYS 14 2HB LYS 14 -8.957 4.718 -6.310
79 HG2 LYS 14 1HG LYS 14 -9.137 2.458 -5.614
80 HG3 LYS 14 2HG LYS 14 -9.614 2.932 -3.982
81 HD2 LYS 14 1HD LYS 14 -11.669 3.946 -4.928
82 HD3 LYS 14 2HD LYS 14 -11.200 3.339 -6.517
83 HE2 LYS 14 1HE LYS 14 -11.310 1.058 -5.714
84 HE3 LYS 14 2HE LYS 14 -11.660 1.621 -4.080
85 HZ1 LYS 14 3HZ LYS 14 -13.546 0.893 -5.774
86 HZ2 LYS 14 1HZ LYS 14 -13.451 2.531 -6.189
87 HZ3 LYS 14 2HZ LYS 14 -13.796 2.081 -4.596
88 H CYS 15 H CYS 15 -7.326 2.614 -3.221
89 HA CYS 15 HA CYS 15 -5.090 1.611 -4.764
90 HB2 CYS 15 1HB CYS 15 -5.183 1.474 -2.263
91 HB3 CYS 15 2HB CYS 15 -6.497 0.314 -2.424
92 H ASN 16 H ASN 16 -5.250 0.244 -6.408
93 HA ASN 16 HA ASN 16 -7.819 -0.905 -7.083
94 HB2 ASN 16 1HB ASN 16 -5.141 -0.920 -8.484
95 HB3 ASN 16 2HB ASN 16 -6.573 -1.726 -9.119
96 HD21 ASN 16 1HD2 ASN 16 -6.019 -0.213 -10.915
97 HD22 ASN 16 2HD2 ASN 16 -6.735 1.359 -10.874
98 H GLU 17 H GLU 17 -5.287 -1.829 -5.157
99 HA GLU 17 HA GLU 17 -5.201 -4.624 -5.825
100 HB2 GLU 17 1HB GLU 17 -4.261 -3.353 -3.256
101 HB3 GLU 17 2HB GLU 17 -3.715 -4.862 -3.974
102 HG2 GLU 17 1HG GLU 17 -3.124 -2.057 -4.833
103 HG3 GLU 17 2HG GLU 17 -2.000 -3.345 -4.401
104 H CYS 18 H CYS 18 -6.303 -2.884 -2.908
105 HA CYS 18 HA CYS 18 -8.107 -5.134 -2.343
106 HB2 CYS 18 1HB CYS 18 -8.213 -4.195 -0.044
107 HB3 CYS 18 2HB CYS 18 -6.580 -4.643 -0.529
108 H GLY 19 H GLY 19 -8.013 -1.577 -2.383
109 HA2 GLY 19 1HA GLY 19 -9.918 -0.556 -3.643
110 HA3 GLY 19 2HA GLY 19 -10.953 -1.615 -2.695
111 H LYS 20 H LYS 20 -8.154 0.185 -1.523
112 HA LYS 20 HA LYS 20 -9.942 1.589 0.337
113 HB2 LYS 20 1HB LYS 20 -6.994 0.955 0.466
114 HB3 LYS 20 2HB LYS 20 -7.790 2.041 1.598
115 HG2 LYS 20 1HG LYS 20 -9.223 0.252 2.364
116 HG3 LYS 20 2HG LYS 20 -8.532 -0.846 1.167
117 HD2 LYS 20 1HD LYS 20 -6.370 -0.717 2.237
118 HD3 LYS 20 2HD LYS 20 -6.967 0.497 3.370
119 HE2 LYS 20 1HE LYS 20 -6.889 -1.674 4.441
120 HE3 LYS 20 2HE LYS 20 -8.562 -1.149 4.261
121 HZ1 LYS 20 3HZ LYS 20 -8.313 -2.522 2.037
122 HZ2 LYS 20 1HZ LYS 20 -8.753 -3.256 3.496
123 HZ3 LYS 20 2HZ LYS 20 -7.154 -3.345 2.954
124 H VAL 21 H VAL 21 -10.115 3.758 0.334
125 HA VAL 21 HA VAL 21 -8.659 5.215 -1.747
126 HB VAL 21 HB VAL 21 -10.958 6.258 -0.100
127 HG11 VAL 21 1HG1 VAL 21 -9.551 7.880 -1.350
128 HG12 VAL 21 2HG1 VAL 21 -9.983 7.043 -2.843
129 HG13 VAL 21 3HG1 VAL 21 -11.230 7.842 -1.885
130 HG21 VAL 21 3HG2 VAL 21 -11.752 4.248 -1.147
131 HG22 VAL 21 1HG2 VAL 21 -12.394 5.631 -2.033
132 HG23 VAL 21 2HG2 VAL 21 -11.038 4.716 -2.690
133 H PHE 22 H PHE 22 -7.634 7.210 -1.325
134 HA PHE 22 HA PHE 22 -7.115 7.835 1.494
135 HB2 PHE 22 1HB PHE 22 -4.963 7.601 -0.621
136 HB3 PHE 22 2HB PHE 22 -4.721 8.087 1.054
137 HD1 PHE 22 HD1 PHE 22 -5.040 6.438 2.874
138 HD2 PHE 22 HD2 PHE 22 -5.131 5.322 -1.233
139 HE1 PHE 22 HE1 PHE 22 -4.701 4.085 3.509
140 HE2 PHE 22 HE2 PHE 22 -4.793 2.968 -0.604
141 HZ PHE 22 HZ PHE 22 -4.578 2.347 1.770
142 H THR 23 H THR 23 -6.181 9.993 1.808
143 HA THR 23 HA THR 23 -7.455 11.900 0.046
144 HB THR 23 HB THR 23 -7.601 12.239 2.464
145 HG1 THR 23 HG1 THR 23 -5.923 14.297 1.481
146 HG21 THR 23 3HG2 THR 23 -5.650 12.851 3.779
147 HG22 THR 23 1HG2 THR 23 -4.611 12.659 2.368
148 HG23 THR 23 2HG2 THR 23 -5.420 11.255 3.066
149 H GLN 24 H GLN 24 -4.166 11.047 1.029
150 HA GLN 24 HA GLN 24 -3.152 12.780 -1.128
151 HB2 GLN 24 1HB GLN 24 -1.873 11.979 1.486
152 HB3 GLN 24 2HB GLN 24 -0.990 12.756 0.178
153 HG2 GLN 24 1HG GLN 24 -3.456 13.992 1.341
154 HG3 GLN 24 2HG GLN 24 -1.874 14.212 2.086
155 HE21 GLN 24 1HE2 GLN 24 -0.487 15.652 1.239
156 HE22 GLN 24 2HE2 GLN 24 -0.796 16.597 -0.174
157 H ASN 25 H ASN 25 -1.220 12.016 -2.241
158 HA ASN 25 HA ASN 25 -1.490 9.349 -3.119
159 HB2 ASN 25 1HB ASN 25 0.632 9.788 -4.360
160 HB3 ASN 25 2HB ASN 25 -0.595 11.027 -4.608
161 HD21 ASN 25 1HD2 ASN 25 2.532 10.310 -3.409
162 HD22 ASN 25 2HD2 ASN 25 2.972 11.918 -2.956
163 H SER 26 H SER 26 1.094 10.907 -1.220
164 HA SER 26 HA SER 26 2.848 8.958 -0.747
165 HB2 SER 26 1HB SER 26 3.039 11.089 0.385
166 HB3 SER 26 2HB SER 26 1.615 10.741 1.366
167 HG SER 26 HG SER 26 4.213 9.734 1.564
168 H HIS 27 H HIS 27 -0.076 9.275 1.276
169 HA HIS 27 HA HIS 27 0.171 6.957 2.740
170 HB2 HIS 27 1HB HIS 27 -2.416 8.129 1.698
171 HB3 HIS 27 2HB HIS 27 -2.245 7.057 3.085
172 HD1 HIS 27 HD1 HIS 27 -3.251 10.190 2.864
173 HD2 HIS 27 HD2 HIS 27 0.223 8.681 4.570
174 HE1 HIS 27 HE1 HIS 27 -2.513 11.923 4.530
175 H LEU 28 H LEU 28 -1.168 7.370 -0.500
176 HA LEU 28 HA LEU 28 -2.089 4.694 -0.771
177 HB2 LEU 28 1HB LEU 28 -3.063 6.334 -2.168
178 HB3 LEU 28 2HB LEU 28 -1.490 6.880 -2.745
179 HG LEU 28 HG LEU 28 -1.220 4.808 -4.004
180 HD11 LEU 28 1HD1 LEU 28 -3.965 4.124 -2.961
181 HD12 LEU 28 2HD1 LEU 28 -2.457 3.303 -2.557
182 HD13 LEU 28 3HD1 LEU 28 -3.087 3.231 -4.203
183 HD21 LEU 28 3HD2 LEU 28 -2.535 5.447 -5.763
184 HD22 LEU 28 1HD2 LEU 28 -2.628 6.899 -4.767
185 HD23 LEU 28 2HD2 LEU 28 -3.950 5.731 -4.749
186 H ALA 29 H ALA 29 0.847 6.380 -1.836
187 HA ALA 29 HA ALA 29 2.022 4.234 -3.208
188 HB1 ALA 29 3HB ALA 29 2.726 6.877 -2.541
189 HB2 ALA 29 1HB ALA 29 4.039 5.843 -1.976
190 HB3 ALA 29 2HB ALA 29 3.537 5.788 -3.666
191 H ARG 30 H ARG 30 2.290 5.252 0.180
192 HA ARG 30 HA ARG 30 4.138 3.186 0.876
193 HB2 ARG 30 1HB ARG 30 3.877 3.943 3.139
194 HB3 ARG 30 2HB ARG 30 3.925 5.357 2.095
195 HG2 ARG 30 1HG ARG 30 1.388 5.311 2.165
196 HG3 ARG 30 2HG ARG 30 1.556 4.150 3.483
197 HD2 ARG 30 1HD ARG 30 2.684 6.947 3.414
198 HD3 ARG 30 2HD ARG 30 1.283 6.414 4.342
199 HE ARG 30 HE ARG 30 4.070 5.950 4.965
200 HH11 ARG 30 1HH1 ARG 30 0.758 5.058 5.564
201 HH12 ARG 30 2HH1 ARG 30 1.090 4.363 7.116
202 HH21 ARG 30 1HH2 ARG 30 4.519 5.037 7.007
203 HH22 ARG 30 2HH2 ARG 30 3.229 4.352 7.936
204 H HIS 31 H HIS 31 0.645 3.581 1.043
205 HA HIS 31 HA HIS 31 -0.003 1.415 2.665
206 HB2 HIS 31 1HB HIS 31 -1.745 2.921 2.126
207 HB3 HIS 31 2HB HIS 31 -1.472 2.745 0.395
208 HD1 HIS 31 HD1 HIS 31 -2.597 0.556 3.300
209 HD2 HIS 31 HD2 HIS 31 -3.216 1.047 -0.779
210 HE1 HIS 31 HE1 HIS 31 -4.392 -1.096 2.689
211 H ARG 32 H ARG 32 0.232 1.519 -0.890
212 HA ARG 32 HA ARG 32 -0.417 -1.001 -1.602
213 HB2 ARG 32 1HB ARG 32 1.889 0.673 -2.593
214 HB3 ARG 32 2HB ARG 32 1.405 -0.834 -3.359
215 HG2 ARG 32 1HG ARG 32 -0.846 0.129 -3.727
216 HG3 ARG 32 2HG ARG 32 -0.258 1.658 -3.071
217 HD2 ARG 32 1HD ARG 32 0.012 1.989 -5.336
218 HD3 ARG 32 2HD ARG 32 1.606 1.397 -4.869
219 HE ARG 32 HE ARG 32 -0.257 -0.629 -5.761
220 HH11 ARG 32 1HH1 ARG 32 2.288 1.580 -6.633
221 HH12 ARG 32 2HH1 ARG 32 2.731 0.710 -8.064
222 HH21 ARG 32 1HH2 ARG 32 0.317 -1.784 -7.642
223 HH22 ARG 32 2HH2 ARG 32 1.609 -1.204 -8.638
224 H ARG 33 H ARG 33 2.467 -0.028 0.121
225 HA ARG 33 HA ARG 33 4.096 -2.230 -0.178
226 HB2 ARG 33 1HB ARG 33 3.636 -0.611 2.334
227 HB3 ARG 33 2HB ARG 33 5.005 -1.679 2.054
228 HG2 ARG 33 1HG ARG 33 4.416 0.581 0.183
229 HG3 ARG 33 2HG ARG 33 5.302 0.847 1.686
230 HD2 ARG 33 1HD ARG 33 7.058 0.425 0.297
231 HD3 ARG 33 2HD ARG 33 6.692 -1.225 0.801
232 HE ARG 33 HE ARG 33 5.929 -1.686 -1.327
233 HH11 ARG 33 1HH1 ARG 33 6.515 1.728 -0.975
234 HH12 ARG 33 2HH1 ARG 33 6.371 2.060 -2.669
235 HH21 ARG 33 1HH2 ARG 33 5.737 -1.261 -3.560
236 HH22 ARG 33 2HH2 ARG 33 5.928 0.360 -4.139
237 H VAL 34 H VAL 34 1.480 -1.776 2.187
238 HA VAL 34 HA VAL 34 1.657 -4.019 3.702
239 HB VAL 34 HB VAL 34 -0.809 -4.018 3.886
240 HG11 VAL 34 1HG1 VAL 34 0.097 -2.517 5.370
241 HG12 VAL 34 2HG1 VAL 34 0.782 -1.505 4.097
242 HG13 VAL 34 3HG1 VAL 34 -0.950 -1.458 4.426
243 HG21 VAL 34 3HG2 VAL 34 -2.084 -3.314 2.210
244 HG22 VAL 34 1HG2 VAL 34 -1.414 -1.690 2.373
245 HG23 VAL 34 2HG2 VAL 34 -0.642 -2.859 1.302
246 H HIS 35 H HIS 35 0.893 -3.863 0.332
247 HA HIS 35 HA HIS 35 -0.143 -6.567 0.220
248 HB2 HIS 35 1HB HIS 35 0.455 -4.512 -1.911
249 HB3 HIS 35 2HB HIS 35 -0.135 -6.131 -2.272
250 HD1 HIS 35 HD1 HIS 35 -2.578 -6.698 -1.405
251 HD2 HIS 35 HD2 HIS 35 -1.466 -2.703 -1.141
252 HE1 HIS 35 HE1 HIS 35 -4.719 -5.425 -1.058
253 H THR 36 H THR 36 2.708 -4.839 -1.029
254 HA THR 36 HA THR 36 3.976 -7.225 -1.962
255 HB THR 36 HB THR 36 5.946 -5.815 -2.345
256 HG1 THR 36 HG1 THR 36 5.404 -3.436 -1.847
257 HG21 THR 36 3HG2 THR 36 5.059 -4.650 -4.117
258 HG22 THR 36 1HG2 THR 36 3.668 -4.086 -3.192
259 HG23 THR 36 2HG2 THR 36 3.728 -5.752 -3.768
260 H GLY 37 H GLY 37 3.587 -8.295 0.228
261 HA2 GLY 37 1HA GLY 37 5.377 -9.384 1.576
262 HA3 GLY 37 2HA GLY 37 5.902 -7.758 1.986
263 H GLY 38 H GLY 38 3.452 -10.207 2.495
264 HA2 GLY 38 1HA GLY 38 2.975 -9.302 5.158
265 HA3 GLY 38 2HA GLY 38 1.640 -8.876 4.096
266 H LYS 39 H LYS 39 1.845 -10.767 6.394
267 HA LYS 39 HA LYS 39 1.790 -13.428 5.545
268 HB2 LYS 39 1HB LYS 39 1.890 -12.667 7.916
269 HB3 LYS 39 2HB LYS 39 0.194 -12.211 7.807
270 HG2 LYS 39 1HG LYS 39 -0.378 -14.558 7.323
271 HG3 LYS 39 2HG LYS 39 1.322 -14.990 7.524
272 HD2 LYS 39 1HD LYS 39 -0.106 -13.517 9.699
273 HD3 LYS 39 2HD LYS 39 -0.340 -15.257 9.519
274 HE2 LYS 39 1HE LYS 39 2.370 -13.958 9.718
275 HE3 LYS 39 2HE LYS 39 1.479 -14.558 11.116
276 HZ1 LYS 39 3HZ LYS 39 3.034 -16.211 10.354
277 HZ2 LYS 39 1HZ LYS 39 2.386 -16.167 8.791
278 HZ3 LYS 39 2HZ LYS 39 1.459 -16.761 10.074
279 HA PRO 40 HA PRO 40 -1.937 -13.455 3.133
280 HB2 PRO 40 1HB PRO 40 -2.026 -16.139 2.738
281 HB3 PRO 40 2HB PRO 40 -0.914 -15.076 1.867
282 HG2 PRO 40 1HG PRO 40 -0.402 -16.805 4.257
283 HG3 PRO 40 2HG PRO 40 0.603 -16.560 2.816
284 HD2 PRO 40 1HD PRO 40 1.098 -15.311 5.167
285 HD3 PRO 40 2HD PRO 40 1.457 -14.566 3.596
286 H SER 41 H SER 41 -3.895 -15.177 3.117
287 HA SER 41 HA SER 41 -4.923 -15.127 5.858
288 HB2 SER 41 1HB SER 41 -6.195 -14.065 3.930
289 HB3 SER 41 2HB SER 41 -6.492 -15.700 3.340
290 HG SER 41 HG SER 41 -7.729 -14.347 5.322
291 H GLY 42 H GLY 42 -6.123 -16.944 6.694
292 HA2 GLY 42 1HA GLY 42 -5.882 -19.504 5.373
293 HA3 GLY 42 2HA GLY 42 -4.847 -19.325 6.782
294 HA PRO 43 HA PRO 43 -9.396 -19.020 8.408
295 HB2 PRO 43 1HB PRO 43 -11.359 -19.619 6.632
296 HB3 PRO 43 2HB PRO 43 -10.749 -17.978 6.871
297 HG2 PRO 43 1HG PRO 43 -10.068 -19.958 4.733
298 HG3 PRO 43 2HG PRO 43 -10.379 -18.219 4.588
299 HD2 PRO 43 1HD PRO 43 -7.877 -19.254 4.609
300 HD3 PRO 43 2HD PRO 43 -8.253 -17.653 5.278
301 H SER 44 H SER 44 -10.931 -20.689 9.079
302 HA SER 44 HA SER 44 -10.898 -23.296 7.966
303 HB2 SER 44 1HB SER 44 -9.720 -24.427 9.868
304 HB3 SER 44 2HB SER 44 -8.659 -23.443 8.859
305 HG SER 44 HG SER 44 -8.435 -22.017 10.447
306 H SER 45 H SER 45 -12.568 -24.487 8.734
307 HA SER 45 HA SER 45 -13.900 -23.558 11.187
308 HB2 SER 45 1HB SER 45 -15.067 -23.963 8.457
309 HB3 SER 45 2HB SER 45 -16.069 -24.256 9.877
310 HG SER 45 HG SER 45 -16.260 -22.184 10.095
311 H GLY 46 H GLY 46 -12.827 -25.344 12.213
312 HA2 GLY 46 1HA GLY 46 -13.283 -28.034 11.342
313 HA3 GLY 46 2HA GLY 46 -12.584 -27.540 12.877
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -35.771 -2.026 -7.230
2 HA2 GLY 1 1HA GLY 1 -35.550 -0.357 -8.890
3 HA3 GLY 1 2HA GLY 1 -37.095 0.022 -8.143
4 H SER 2 H SER 2 -33.622 0.708 -7.911
5 HA SER 2 HA SER 2 -34.286 3.492 -7.296
6 HB2 SER 2 1HB SER 2 -32.432 1.747 -5.666
7 HB3 SER 2 2HB SER 2 -32.444 3.507 -5.567
8 HG SER 2 HG SER 2 -34.427 3.462 -4.680
9 H SER 3 H SER 3 -33.440 4.539 -8.973
10 HA SER 3 HA SER 3 -31.250 3.604 -10.504
11 HB2 SER 3 1HB SER 3 -33.171 5.283 -11.116
12 HB3 SER 3 2HB SER 3 -32.052 6.494 -10.489
13 HG SER 3 HG SER 3 -32.045 5.344 -12.874
14 H GLY 4 H GLY 4 -31.545 6.149 -8.044
15 HA2 GLY 4 1HA GLY 4 -29.868 6.700 -6.483
16 HA3 GLY 4 2HA GLY 4 -28.690 5.870 -7.488
17 H SER 5 H SER 5 -30.850 8.702 -7.590
18 HA SER 5 HA SER 5 -29.588 10.098 -9.619
19 HB2 SER 5 1HB SER 5 -31.066 11.088 -7.178
20 HB3 SER 5 2HB SER 5 -30.509 12.164 -8.459
21 HG SER 5 HG SER 5 -32.051 9.901 -9.094
22 H SER 6 H SER 6 -29.109 10.636 -6.122
23 HA SER 6 HA SER 6 -26.326 11.389 -6.712
24 HB2 SER 6 1HB SER 6 -26.440 13.201 -5.105
25 HB3 SER 6 2HB SER 6 -27.728 13.411 -6.291
26 HG SER 6 HG SER 6 -28.138 12.096 -3.820
27 H GLY 7 H GLY 7 -24.824 11.060 -4.979
28 HA2 GLY 7 1HA GLY 7 -24.790 10.281 -2.535
29 HA3 GLY 7 2HA GLY 7 -25.707 8.917 -3.159
30 H THR 8 H THR 8 -22.811 10.673 -4.273
31 HA THR 8 HA THR 8 -21.079 8.457 -3.782
32 HB THR 8 HB THR 8 -22.251 7.619 -5.797
33 HG1 THR 8 HG1 THR 8 -20.315 7.144 -6.927
34 HG21 THR 8 3HG2 THR 8 -22.357 8.741 -7.792
35 HG22 THR 8 1HG2 THR 8 -20.892 9.668 -7.475
36 HG23 THR 8 2HG2 THR 8 -22.403 10.109 -6.681
37 H GLY 9 H GLY 9 -18.872 8.925 -4.249
38 HA2 GLY 9 1HA GLY 9 -17.558 10.759 -5.579
39 HA3 GLY 9 2HA GLY 9 -18.372 11.808 -4.428
40 H GLU 10 H GLU 10 -15.601 10.065 -5.031
41 HA GLU 10 HA GLU 10 -14.774 10.335 -2.228
42 HB2 GLU 10 1HB GLU 10 -14.375 7.910 -3.981
43 HB3 GLU 10 2HB GLU 10 -13.463 8.192 -2.505
44 HG2 GLU 10 1HG GLU 10 -15.157 6.790 -1.809
45 HG3 GLU 10 2HG GLU 10 -15.767 8.386 -1.375
46 H LYS 11 H LYS 11 -12.264 9.882 -2.149
47 HA LYS 11 HA LYS 11 -11.042 11.926 -3.675
48 HB2 LYS 11 1HB LYS 11 -9.564 9.737 -2.225
49 HB3 LYS 11 2HB LYS 11 -9.035 11.387 -2.529
50 HG2 LYS 11 1HG LYS 11 -11.266 10.554 -0.685
51 HG3 LYS 11 2HG LYS 11 -9.652 11.080 -0.202
52 HD2 LYS 11 1HD LYS 11 -11.298 12.865 -1.934
53 HD3 LYS 11 2HD LYS 11 -11.673 12.760 -0.212
54 HE2 LYS 11 1HE LYS 11 -10.162 14.469 -0.168
55 HE3 LYS 11 2HE LYS 11 -9.062 13.103 0.011
56 HZ1 LYS 11 3HZ LYS 11 -9.539 13.655 -2.729
57 HZ2 LYS 11 1HZ LYS 11 -8.073 13.627 -1.885
58 HZ3 LYS 11 2HZ LYS 11 -8.990 15.047 -1.940
59 HA PRO 12 HA PRO 12 -9.803 9.857 -7.347
60 HB2 PRO 12 1HB PRO 12 -7.523 11.209 -7.932
61 HB3 PRO 12 2HB PRO 12 -9.133 11.913 -8.123
62 HG2 PRO 12 1HG PRO 12 -7.167 12.260 -5.892
63 HG3 PRO 12 2HG PRO 12 -8.173 13.479 -6.697
64 HD2 PRO 12 1HD PRO 12 -8.821 12.410 -4.295
65 HD3 PRO 12 2HD PRO 12 -10.045 12.924 -5.473
66 H TYR 13 H TYR 13 -7.926 9.772 -4.502
67 HA TYR 13 HA TYR 13 -5.920 7.981 -5.636
68 HB2 TYR 13 1HB TYR 13 -6.197 8.958 -2.788
69 HB3 TYR 13 2HB TYR 13 -4.804 8.143 -3.490
70 HD1 TYR 13 HD2 TYR 13 -6.846 11.241 -3.757
71 HD2 TYR 13 HD1 TYR 13 -3.088 9.383 -4.482
72 HE1 TYR 13 HE2 TYR 13 -5.896 13.421 -4.385
73 HE2 TYR 13 HE1 TYR 13 -2.126 11.558 -5.110
74 HH TYR 13 HH TYR 13 -4.113 14.405 -5.483
75 H LYS 14 H LYS 14 -6.708 5.986 -5.959
76 HA LYS 14 HA LYS 14 -7.869 4.603 -3.641
77 HB2 LYS 14 1HB LYS 14 -9.750 5.069 -5.043
78 HB3 LYS 14 2HB LYS 14 -8.880 4.560 -6.484
79 HG2 LYS 14 1HG LYS 14 -10.204 2.736 -6.116
80 HG3 LYS 14 2HG LYS 14 -8.752 2.267 -5.229
81 HD2 LYS 14 1HD LYS 14 -9.739 2.583 -3.178
82 HD3 LYS 14 2HD LYS 14 -10.885 3.776 -3.794
83 HE2 LYS 14 1HE LYS 14 -11.660 1.344 -3.147
84 HE3 LYS 14 2HE LYS 14 -12.353 2.185 -4.533
85 HZ1 LYS 14 3HZ LYS 14 -9.980 0.703 -5.179
86 HZ2 LYS 14 1HZ LYS 14 -11.493 0.705 -5.937
87 HZ3 LYS 14 2HZ LYS 14 -11.225 -0.278 -4.588
88 H CYS 15 H CYS 15 -7.400 2.396 -3.479
89 HA CYS 15 HA CYS 15 -5.018 1.588 -4.960
90 HB2 CYS 15 1HB CYS 15 -5.057 1.440 -2.474
91 HB3 CYS 15 2HB CYS 15 -6.348 0.248 -2.596
92 H ASN 16 H ASN 16 -5.101 0.216 -6.605
93 HA ASN 16 HA ASN 16 -7.598 -1.141 -7.212
94 HB2 ASN 16 1HB ASN 16 -5.027 -0.745 -8.739
95 HB3 ASN 16 2HB ASN 16 -6.310 -1.801 -9.321
96 HD21 ASN 16 1HD2 ASN 16 -5.190 1.394 -9.034
97 HD22 ASN 16 2HD2 ASN 16 -6.544 2.184 -9.762
98 H GLU 17 H GLU 17 -5.551 -1.927 -5.049
99 HA GLU 17 HA GLU 17 -5.052 -4.686 -5.929
100 HB2 GLU 17 1HB GLU 17 -3.930 -3.365 -3.462
101 HB3 GLU 17 2HB GLU 17 -3.371 -4.834 -4.250
102 HG2 GLU 17 1HG GLU 17 -3.171 -2.035 -5.337
103 HG3 GLU 17 2HG GLU 17 -1.853 -3.011 -4.691
104 H CYS 18 H CYS 18 -6.204 -2.850 -3.105
105 HA CYS 18 HA CYS 18 -7.756 -5.226 -2.308
106 HB2 CYS 18 1HB CYS 18 -7.667 -4.346 -0.004
107 HB3 CYS 18 2HB CYS 18 -6.060 -4.660 -0.651
108 H GLY 19 H GLY 19 -7.781 -1.667 -2.321
109 HA2 GLY 19 1HA GLY 19 -9.813 -0.687 -3.389
110 HA3 GLY 19 2HA GLY 19 -10.733 -1.802 -2.389
111 H LYS 20 H LYS 20 -8.021 0.412 -1.723
112 HA LYS 20 HA LYS 20 -9.676 1.622 0.396
113 HB2 LYS 20 1HB LYS 20 -6.723 1.014 0.345
114 HB3 LYS 20 2HB LYS 20 -7.435 2.135 1.499
115 HG2 LYS 20 1HG LYS 20 -8.925 0.291 2.265
116 HG3 LYS 20 2HG LYS 20 -8.019 -0.803 1.217
117 HD2 LYS 20 1HD LYS 20 -5.987 -0.364 2.441
118 HD3 LYS 20 2HD LYS 20 -6.799 0.863 3.417
119 HE2 LYS 20 1HE LYS 20 -6.692 -1.083 4.755
120 HE3 LYS 20 2HE LYS 20 -8.358 -0.965 4.192
121 HZ1 LYS 20 3HZ LYS 20 -6.771 -3.155 3.984
122 HZ2 LYS 20 1HZ LYS 20 -6.682 -2.488 2.431
123 HZ3 LYS 20 2HZ LYS 20 -8.186 -2.881 3.097
124 H VAL 21 H VAL 21 -9.839 3.800 0.461
125 HA VAL 21 HA VAL 21 -8.539 5.285 -1.711
126 HB VAL 21 HB VAL 21 -10.693 6.480 -0.022
127 HG11 VAL 21 1HG1 VAL 21 -11.241 7.647 -2.059
128 HG12 VAL 21 2HG1 VAL 21 -9.507 7.785 -1.761
129 HG13 VAL 21 3HG1 VAL 21 -10.107 6.654 -2.975
130 HG21 VAL 21 3HG2 VAL 21 -12.193 5.446 -1.977
131 HG22 VAL 21 1HG2 VAL 21 -10.992 4.162 -1.839
132 HG23 VAL 21 2HG2 VAL 21 -11.946 4.631 -0.432
133 H PHE 22 H PHE 22 -7.599 7.343 -1.318
134 HA PHE 22 HA PHE 22 -7.006 7.999 1.472
135 HB2 PHE 22 1HB PHE 22 -4.871 7.793 -0.660
136 HB3 PHE 22 2HB PHE 22 -4.629 8.242 1.025
137 HD1 PHE 22 HD2 PHE 22 -5.675 5.462 -1.185
138 HD2 PHE 22 HD1 PHE 22 -4.269 6.614 2.664
139 HE1 PHE 22 HE2 PHE 22 -5.313 3.096 -0.613
140 HE2 PHE 22 HE1 PHE 22 -3.903 4.250 3.241
141 HZ PHE 22 HZ PHE 22 -4.426 2.488 1.603
142 H THR 23 H THR 23 -5.970 10.169 1.673
143 HA THR 23 HA THR 23 -7.369 12.040 -0.032
144 HB THR 23 HB THR 23 -7.318 12.432 2.386
145 HG1 THR 23 HG1 THR 23 -7.059 14.576 2.150
146 HG21 THR 23 3HG2 THR 23 -4.939 11.475 2.593
147 HG22 THR 23 1HG2 THR 23 -5.369 12.845 3.616
148 HG23 THR 23 2HG2 THR 23 -4.398 13.098 2.165
149 H GLN 24 H GLN 24 -4.019 11.184 0.712
150 HA GLN 24 HA GLN 24 -3.179 12.788 -1.613
151 HB2 GLN 24 1HB GLN 24 -1.829 12.360 1.040
152 HB3 GLN 24 2HB GLN 24 -0.917 12.847 -0.382
153 HG2 GLN 24 1HG GLN 24 -3.240 14.357 0.793
154 HG3 GLN 24 2HG GLN 24 -1.538 14.743 1.040
155 HE21 GLN 24 1HE2 GLN 24 -4.046 15.901 -0.440
156 HE22 GLN 24 2HE2 GLN 24 -3.363 16.471 -1.921
157 H ASN 25 H ASN 25 -1.127 11.997 -2.618
158 HA ASN 25 HA ASN 25 -1.396 9.285 -3.355
159 HB2 ASN 25 1HB ASN 25 1.007 9.775 -4.329
160 HB3 ASN 25 2HB ASN 25 -0.419 10.529 -5.036
161 HD21 ASN 25 1HD2 ASN 25 -0.555 12.682 -5.085
162 HD22 ASN 25 2HD2 ASN 25 0.579 13.761 -4.353
163 H SER 26 H SER 26 1.183 10.926 -1.516
164 HA SER 26 HA SER 26 2.891 8.983 -0.884
165 HB2 SER 26 1HB SER 26 1.663 10.935 1.075
166 HB3 SER 26 2HB SER 26 3.105 9.977 1.411
167 HG SER 26 HG SER 26 4.236 11.292 0.225
168 H HIS 27 H HIS 27 0.043 9.516 1.201
169 HA HIS 27 HA HIS 27 0.198 7.296 2.775
170 HB2 HIS 27 1HB HIS 27 -2.418 8.280 1.635
171 HB3 HIS 27 2HB HIS 27 -2.144 7.517 3.198
172 HD1 HIS 27 HD1 HIS 27 -3.217 10.550 2.279
173 HD2 HIS 27 HD2 HIS 27 0.221 9.448 4.334
174 HE1 HIS 27 HE1 HIS 27 -2.513 12.597 3.559
175 H LEU 28 H LEU 28 -1.425 7.483 -0.386
176 HA LEU 28 HA LEU 28 -2.285 4.827 -0.506
177 HB2 LEU 28 1HB LEU 28 -3.202 6.325 -2.060
178 HB3 LEU 28 2HB LEU 28 -1.615 6.857 -2.610
179 HG LEU 28 HG LEU 28 -1.276 4.720 -3.737
180 HD11 LEU 28 1HD1 LEU 28 -3.471 3.915 -2.079
181 HD12 LEU 28 2HD1 LEU 28 -2.391 2.927 -3.063
182 HD13 LEU 28 3HD1 LEU 28 -3.852 3.612 -3.774
183 HD21 LEU 28 3HD2 LEU 28 -2.176 6.288 -5.187
184 HD22 LEU 28 1HD2 LEU 28 -3.728 6.324 -4.348
185 HD23 LEU 28 2HD2 LEU 28 -3.295 4.933 -5.343
186 H ALA 29 H ALA 29 0.673 6.304 -1.829
187 HA ALA 29 HA ALA 29 1.799 4.028 -2.953
188 HB1 ALA 29 3HB ALA 29 3.993 5.203 -2.596
189 HB2 ALA 29 1HB ALA 29 2.759 6.146 -3.432
190 HB3 ALA 29 2HB ALA 29 3.099 6.451 -1.728
191 H ARG 30 H ARG 30 2.330 5.351 0.315
192 HA ARG 30 HA ARG 30 4.061 3.369 1.234
193 HB2 ARG 30 1HB ARG 30 2.042 4.999 2.787
194 HB3 ARG 30 2HB ARG 30 3.348 4.065 3.506
195 HG2 ARG 30 1HG ARG 30 4.970 5.464 2.263
196 HG3 ARG 30 2HG ARG 30 3.622 6.446 1.686
197 HD2 ARG 30 1HD ARG 30 4.267 7.664 3.515
198 HD3 ARG 30 2HD ARG 30 3.064 6.604 4.248
199 HE ARG 30 HE ARG 30 5.307 5.201 4.618
200 HH11 ARG 30 1HH1 ARG 30 4.583 8.562 5.168
201 HH12 ARG 30 2HH1 ARG 30 5.698 8.721 6.484
202 HH21 ARG 30 1HH2 ARG 30 6.778 5.399 6.349
203 HH22 ARG 30 2HH2 ARG 30 6.947 6.922 7.155
204 H HIS 31 H HIS 31 0.533 3.496 1.213
205 HA HIS 31 HA HIS 31 0.053 1.209 2.769
206 HB2 HIS 31 1HB HIS 31 -1.796 2.622 2.392
207 HB3 HIS 31 2HB HIS 31 -1.550 2.622 0.648
208 HD1 HIS 31 HD1 HIS 31 -2.386 0.036 3.322
209 HD2 HIS 31 HD2 HIS 31 -3.300 1.005 -0.614
210 HE1 HIS 31 HE1 HIS 31 -4.111 -1.645 2.599
211 H ARG 32 H ARG 32 0.447 1.606 -0.733
212 HA ARG 32 HA ARG 32 -0.176 -0.851 -1.697
213 HB2 ARG 32 1HB ARG 32 2.129 0.951 -2.419
214 HB3 ARG 32 2HB ARG 32 1.773 -0.518 -3.316
215 HG2 ARG 32 1HG ARG 32 -0.431 0.334 -3.880
216 HG3 ARG 32 2HG ARG 32 -0.119 1.793 -2.937
217 HD2 ARG 32 1HD ARG 32 0.226 2.206 -5.311
218 HD3 ARG 32 2HD ARG 32 1.741 2.355 -4.421
219 HE ARG 32 HE ARG 32 1.532 -0.265 -5.379
220 HH11 ARG 32 1HH1 ARG 32 1.929 2.977 -6.583
221 HH12 ARG 32 2HH1 ARG 32 2.807 2.485 -7.993
222 HH21 ARG 32 1HH2 ARG 32 2.686 -0.925 -7.232
223 HH22 ARG 32 2HH2 ARG 32 3.236 0.266 -8.362
224 H ARG 33 H ARG 33 2.485 -0.056 0.380
225 HA ARG 33 HA ARG 33 4.227 -2.160 -0.048
226 HB2 ARG 33 1HB ARG 33 3.488 -0.869 2.585
227 HB3 ARG 33 2HB ARG 33 4.910 -1.867 2.311
228 HG2 ARG 33 1HG ARG 33 4.509 0.497 0.561
229 HG3 ARG 33 2HG ARG 33 5.016 0.766 2.230
230 HD2 ARG 33 1HD ARG 33 6.853 -0.913 1.814
231 HD3 ARG 33 2HD ARG 33 6.415 -0.847 0.108
232 HE ARG 33 HE ARG 33 7.548 1.123 -0.038
233 HH11 ARG 33 1HH1 ARG 33 6.693 0.587 3.294
234 HH12 ARG 33 2HH1 ARG 33 7.549 1.977 3.873
235 HH21 ARG 33 1HH2 ARG 33 8.678 2.956 0.712
236 HH22 ARG 33 2HH2 ARG 33 8.677 3.325 2.403
237 H VAL 34 H VAL 34 1.364 -2.061 2.050
238 HA VAL 34 HA VAL 34 1.484 -4.465 3.317
239 HB VAL 34 HB VAL 34 -0.961 -4.532 3.317
240 HG11 VAL 34 1HG1 VAL 34 -1.372 -2.300 4.269
241 HG12 VAL 34 2HG1 VAL 34 0.141 -3.003 4.845
242 HG13 VAL 34 3HG1 VAL 34 0.166 -1.748 3.605
243 HG21 VAL 34 3HG2 VAL 34 -1.537 -2.137 1.869
244 HG22 VAL 34 1HG2 VAL 34 -0.680 -3.262 0.815
245 HG23 VAL 34 2HG2 VAL 34 -2.168 -3.765 1.617
246 H HIS 35 H HIS 35 1.132 -3.934 -0.067
247 HA HIS 35 HA HIS 35 0.354 -6.721 -0.533
248 HB2 HIS 35 1HB HIS 35 0.554 -4.389 -2.449
249 HB3 HIS 35 2HB HIS 35 0.032 -6.013 -2.885
250 HD1 HIS 35 HD1 HIS 35 -2.252 -6.825 -1.741
251 HD2 HIS 35 HD2 HIS 35 -1.416 -2.764 -1.474
252 HE1 HIS 35 HE1 HIS 35 -4.431 -5.729 -1.127
253 H THR 36 H THR 36 2.557 -7.294 0.299
254 HA THR 36 HA THR 36 4.451 -7.342 -1.951
255 HB THR 36 HB THR 36 6.290 -7.299 -0.143
256 HG1 THR 36 HG1 THR 36 5.314 -7.292 1.776
257 HG21 THR 36 3HG2 THR 36 4.836 -5.158 -1.458
258 HG22 THR 36 1HG2 THR 36 6.573 -5.374 -1.245
259 HG23 THR 36 2HG2 THR 36 5.617 -4.614 0.027
260 H GLY 37 H GLY 37 3.560 -8.771 1.181
261 HA2 GLY 37 1HA GLY 37 3.883 -11.426 0.075
262 HA3 GLY 37 2HA GLY 37 5.060 -11.013 1.313
263 H GLY 38 H GLY 38 1.662 -10.038 1.180
264 HA2 GLY 38 1HA GLY 38 0.951 -10.274 3.750
265 HA3 GLY 38 2HA GLY 38 -0.140 -10.758 2.460
266 H LYS 39 H LYS 39 0.812 -13.050 1.517
267 HA LYS 39 HA LYS 39 0.348 -14.872 3.713
268 HB2 LYS 39 1HB LYS 39 0.759 -15.333 0.754
269 HB3 LYS 39 2HB LYS 39 0.418 -16.613 1.911
270 HG2 LYS 39 1HG LYS 39 -1.737 -15.696 2.392
271 HG3 LYS 39 2HG LYS 39 -1.391 -14.256 1.431
272 HD2 LYS 39 1HD LYS 39 -2.622 -15.467 -0.076
273 HD3 LYS 39 2HD LYS 39 -0.997 -16.030 -0.475
274 HE2 LYS 39 1HE LYS 39 -1.302 -18.053 0.696
275 HE3 LYS 39 2HE LYS 39 -2.741 -17.451 1.519
276 HZ1 LYS 39 3HZ LYS 39 -3.496 -17.246 -1.025
277 HZ2 LYS 39 1HZ LYS 39 -3.782 -18.617 -0.076
278 HZ3 LYS 39 2HZ LYS 39 -2.465 -18.583 -1.137
279 HA PRO 40 HA PRO 40 4.654 -15.572 4.499
280 HB2 PRO 40 1HB PRO 40 4.336 -17.693 6.164
281 HB3 PRO 40 2HB PRO 40 4.019 -16.026 6.660
282 HG2 PRO 40 1HG PRO 40 2.090 -18.143 5.786
283 HG3 PRO 40 2HG PRO 40 1.954 -16.989 7.125
284 HD2 PRO 40 1HD PRO 40 0.701 -16.623 4.753
285 HD3 PRO 40 2HD PRO 40 1.287 -15.270 5.741
286 H SER 41 H SER 41 5.079 -16.249 2.293
287 HA SER 41 HA SER 41 5.054 -19.171 1.929
288 HB2 SER 41 1HB SER 41 3.825 -17.636 0.263
289 HB3 SER 41 2HB SER 41 5.432 -17.169 -0.292
290 HG SER 41 HG SER 41 5.804 -19.478 -0.592
291 H GLY 42 H GLY 42 6.919 -20.251 1.454
292 HA2 GLY 42 1HA GLY 42 9.173 -20.549 0.943
293 HA3 GLY 42 2HA GLY 42 9.351 -18.804 0.826
294 HA PRO 43 HA PRO 43 10.685 -20.678 5.070
295 HB2 PRO 43 1HB PRO 43 13.241 -21.438 4.562
296 HB3 PRO 43 2HB PRO 43 11.866 -22.538 4.419
297 HG2 PRO 43 1HG PRO 43 13.316 -21.030 2.278
298 HG3 PRO 43 2HG PRO 43 12.747 -22.710 2.274
299 HD2 PRO 43 1HD PRO 43 11.402 -20.714 1.035
300 HD3 PRO 43 2HD PRO 43 10.581 -22.108 1.766
301 H SER 44 H SER 44 12.336 -18.796 2.610
302 HA SER 44 HA SER 44 13.785 -17.023 2.735
303 HB2 SER 44 1HB SER 44 11.734 -16.373 4.858
304 HB3 SER 44 2HB SER 44 12.944 -15.218 4.298
305 HG SER 44 HG SER 44 11.252 -14.833 3.002
306 H SER 45 H SER 45 14.810 -19.225 4.099
307 HA SER 45 HA SER 45 16.293 -17.890 6.262
308 HB2 SER 45 1HB SER 45 14.947 -20.566 6.280
309 HB3 SER 45 2HB SER 45 16.424 -20.340 7.217
310 HG SER 45 HG SER 45 15.425 -18.792 8.423
311 H GLY 46 H GLY 46 18.471 -18.204 6.285
312 HA2 GLY 46 1HA GLY 46 19.561 -19.804 4.059
313 HA3 GLY 46 2HA GLY 46 20.338 -18.386 4.747
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -29.717 -8.195 10.674
2 HA2 GLY 1 1HA GLY 1 -28.511 -7.106 9.036
3 HA3 GLY 1 2HA GLY 1 -30.030 -6.705 8.249
4 H SER 2 H SER 2 -27.381 -5.425 9.726
5 HA SER 2 HA SER 2 -28.821 -3.062 10.715
6 HB2 SER 2 1HB SER 2 -27.008 -4.391 12.084
7 HB3 SER 2 2HB SER 2 -25.877 -3.453 11.109
8 HG SER 2 HG SER 2 -27.771 -1.818 12.024
9 H SER 3 H SER 3 -28.760 -1.210 9.621
10 HA SER 3 HA SER 3 -27.845 -0.960 7.038
11 HB2 SER 3 1HB SER 3 -29.349 0.606 8.569
12 HB3 SER 3 2HB SER 3 -27.833 1.488 8.748
13 HG SER 3 HG SER 3 -28.065 0.949 6.194
14 H GLY 4 H GLY 4 -26.187 0.706 6.275
15 HA2 GLY 4 1HA GLY 4 -23.652 0.081 7.621
16 HA3 GLY 4 2HA GLY 4 -23.828 0.598 5.950
17 H SER 5 H SER 5 -23.260 2.618 5.525
18 HA SER 5 HA SER 5 -23.888 4.792 7.283
19 HB2 SER 5 1HB SER 5 -21.111 3.686 7.181
20 HB3 SER 5 2HB SER 5 -21.322 5.432 7.312
21 HG SER 5 HG SER 5 -22.795 4.854 9.126
22 H SER 6 H SER 6 -23.478 6.849 6.341
23 HA SER 6 HA SER 6 -23.872 6.989 3.590
24 HB2 SER 6 1HB SER 6 -24.219 8.778 5.470
25 HB3 SER 6 2HB SER 6 -22.572 9.258 5.061
26 HG SER 6 HG SER 6 -23.287 10.125 3.286
27 H GLY 7 H GLY 7 -20.925 8.012 5.334
28 HA2 GLY 7 1HA GLY 7 -18.764 8.266 4.568
29 HA3 GLY 7 2HA GLY 7 -19.023 6.646 3.939
30 H THR 8 H THR 8 -18.975 10.049 3.187
31 HA THR 8 HA THR 8 -19.182 9.392 0.322
32 HB THR 8 HB THR 8 -19.767 11.782 -0.027
33 HG1 THR 8 HG1 THR 8 -20.335 12.994 1.856
34 HG21 THR 8 3HG2 THR 8 -21.386 9.729 0.828
35 HG22 THR 8 1HG2 THR 8 -21.941 11.268 0.170
36 HG23 THR 8 2HG2 THR 8 -21.819 11.048 1.916
37 H GLY 9 H GLY 9 -17.761 10.456 -1.146
38 HA2 GLY 9 1HA GLY 9 -15.908 12.133 -1.318
39 HA3 GLY 9 2HA GLY 9 -15.266 11.386 0.138
40 H GLU 10 H GLU 10 -15.441 11.263 -3.278
41 HA GLU 10 HA GLU 10 -14.083 8.659 -3.333
42 HB2 GLU 10 1HB GLU 10 -16.044 8.808 -4.767
43 HB3 GLU 10 2HB GLU 10 -15.392 10.241 -5.551
44 HG2 GLU 10 1HG GLU 10 -13.399 8.687 -6.146
45 HG3 GLU 10 2HG GLU 10 -14.549 7.393 -5.814
46 H LYS 11 H LYS 11 -12.167 9.826 -2.469
47 HA LYS 11 HA LYS 11 -10.784 11.830 -3.784
48 HB2 LYS 11 1HB LYS 11 -9.556 9.477 -2.337
49 HB3 LYS 11 2HB LYS 11 -8.794 11.034 -2.633
50 HG2 LYS 11 1HG LYS 11 -11.324 10.773 -1.041
51 HG3 LYS 11 2HG LYS 11 -9.725 10.619 -0.310
52 HD2 LYS 11 1HD LYS 11 -9.253 12.887 -1.484
53 HD3 LYS 11 2HD LYS 11 -11.012 13.011 -1.570
54 HE2 LYS 11 1HE LYS 11 -10.949 12.467 0.949
55 HE3 LYS 11 2HE LYS 11 -9.243 12.897 0.848
56 HZ1 LYS 11 3HZ LYS 11 -11.348 14.714 -0.151
57 HZ2 LYS 11 1HZ LYS 11 -9.751 15.080 0.272
58 HZ3 LYS 11 2HZ LYS 11 -10.883 14.717 1.475
59 HA PRO 12 HA PRO 12 -9.244 10.118 -7.523
60 HB2 PRO 12 1HB PRO 12 -6.888 11.446 -7.762
61 HB3 PRO 12 2HB PRO 12 -8.457 12.220 -8.016
62 HG2 PRO 12 1HG PRO 12 -6.690 12.267 -5.600
63 HG3 PRO 12 2HG PRO 12 -7.590 13.596 -6.353
64 HD2 PRO 12 1HD PRO 12 -8.475 12.306 -4.144
65 HD3 PRO 12 2HD PRO 12 -9.577 12.980 -5.362
66 H TYR 13 H TYR 13 -7.608 9.694 -4.555
67 HA TYR 13 HA TYR 13 -5.685 7.823 -5.747
68 HB2 TYR 13 1HB TYR 13 -5.778 8.898 -2.922
69 HB3 TYR 13 2HB TYR 13 -4.490 7.928 -3.630
70 HD1 TYR 13 HD1 TYR 13 -3.188 8.923 -5.586
71 HD2 TYR 13 HD2 TYR 13 -5.740 11.235 -3.087
72 HE1 TYR 13 HE1 TYR 13 -2.045 10.972 -6.325
73 HE2 TYR 13 HE2 TYR 13 -4.605 13.290 -3.819
74 HH TYR 13 HH TYR 13 -3.102 14.169 -5.209
75 H LYS 14 H LYS 14 -6.400 5.807 -5.883
76 HA LYS 14 HA LYS 14 -7.779 4.652 -3.558
77 HB2 LYS 14 1HB LYS 14 -9.505 5.079 -5.191
78 HB3 LYS 14 2HB LYS 14 -8.549 4.328 -6.462
79 HG2 LYS 14 1HG LYS 14 -9.958 2.613 -6.001
80 HG3 LYS 14 2HG LYS 14 -8.683 2.247 -4.835
81 HD2 LYS 14 1HD LYS 14 -9.923 3.215 -3.052
82 HD3 LYS 14 2HD LYS 14 -11.099 3.917 -4.165
83 HE2 LYS 14 1HE LYS 14 -10.721 0.967 -4.186
84 HE3 LYS 14 2HE LYS 14 -11.597 1.685 -2.835
85 HZ1 LYS 14 3HZ LYS 14 -13.210 1.161 -4.431
86 HZ2 LYS 14 1HZ LYS 14 -12.288 1.772 -5.711
87 HZ3 LYS 14 2HZ LYS 14 -12.984 2.830 -4.590
88 H CYS 15 H CYS 15 -7.364 2.475 -3.151
89 HA CYS 15 HA CYS 15 -4.903 1.485 -4.359
90 HB2 CYS 15 1HB CYS 15 -5.105 1.517 -1.902
91 HB3 CYS 15 2HB CYS 15 -6.487 0.431 -2.006
92 H ASN 16 H ASN 16 -4.879 -0.012 -5.893
93 HA ASN 16 HA ASN 16 -7.354 -1.369 -6.602
94 HB2 ASN 16 1HB ASN 16 -4.744 -0.858 -7.956
95 HB3 ASN 16 2HB ASN 16 -5.686 -2.253 -8.474
96 HD21 ASN 16 1HD2 ASN 16 -6.252 -1.501 -10.454
97 HD22 ASN 16 2HD2 ASN 16 -7.282 -0.137 -10.705
98 H GLU 17 H GLU 17 -5.492 -2.022 -4.240
99 HA GLU 17 HA GLU 17 -4.928 -4.829 -4.889
100 HB2 GLU 17 1HB GLU 17 -4.090 -3.355 -2.396
101 HB3 GLU 17 2HB GLU 17 -3.450 -4.868 -3.021
102 HG2 GLU 17 1HG GLU 17 -3.092 -2.121 -4.189
103 HG3 GLU 17 2HG GLU 17 -1.863 -3.133 -3.433
104 H CYS 18 H CYS 18 -6.427 -2.828 -2.359
105 HA CYS 18 HA CYS 18 -8.067 -5.162 -1.615
106 HB2 CYS 18 1HB CYS 18 -8.218 -4.159 0.652
107 HB3 CYS 18 2HB CYS 18 -6.572 -4.592 0.204
108 H GLY 19 H GLY 19 -8.015 -1.612 -1.797
109 HA2 GLY 19 1HA GLY 19 -9.954 -0.714 -3.133
110 HA3 GLY 19 2HA GLY 19 -10.957 -1.684 -2.065
111 H LYS 20 H LYS 20 -8.126 0.165 -1.085
112 HA LYS 20 HA LYS 20 -9.858 1.734 0.688
113 HB2 LYS 20 1HB LYS 20 -6.946 0.998 0.759
114 HB3 LYS 20 2HB LYS 20 -7.553 2.347 1.710
115 HG2 LYS 20 1HG LYS 20 -9.165 0.802 2.784
116 HG3 LYS 20 2HG LYS 20 -8.412 -0.531 1.906
117 HD2 LYS 20 1HD LYS 20 -6.252 0.044 2.977
118 HD3 LYS 20 2HD LYS 20 -7.084 1.284 3.918
119 HE2 LYS 20 1HE LYS 20 -6.799 -0.761 5.216
120 HE3 LYS 20 2HE LYS 20 -8.505 -0.428 4.925
121 HZ1 LYS 20 3HZ LYS 20 -6.891 -2.311 3.296
122 HZ2 LYS 20 1HZ LYS 20 -8.567 -2.086 3.238
123 HZ3 LYS 20 2HZ LYS 20 -7.855 -2.784 4.604
124 H VAL 21 H VAL 21 -9.869 3.951 0.688
125 HA VAL 21 HA VAL 21 -8.534 5.229 -1.604
126 HB VAL 21 HB VAL 21 -10.746 6.583 -0.130
127 HG11 VAL 21 1HG1 VAL 21 -10.326 6.446 -3.092
128 HG12 VAL 21 2HG1 VAL 21 -11.089 7.714 -2.131
129 HG13 VAL 21 3HG1 VAL 21 -9.338 7.506 -2.088
130 HG21 VAL 21 3HG2 VAL 21 -11.457 4.207 -0.533
131 HG22 VAL 21 1HG2 VAL 21 -12.458 5.430 -1.317
132 HG23 VAL 21 2HG2 VAL 21 -11.278 4.519 -2.260
133 H PHE 22 H PHE 22 -7.454 7.187 -1.343
134 HA PHE 22 HA PHE 22 -7.026 8.101 1.416
135 HB2 PHE 22 1HB PHE 22 -4.828 7.712 -0.626
136 HB3 PHE 22 2HB PHE 22 -4.629 8.321 1.014
137 HD1 PHE 22 HD2 PHE 22 -5.523 5.345 -0.979
138 HD2 PHE 22 HD1 PHE 22 -4.424 6.855 2.846
139 HE1 PHE 22 HE2 PHE 22 -5.185 3.045 -0.172
140 HE2 PHE 22 HE1 PHE 22 -4.084 4.558 3.659
141 HZ PHE 22 HZ PHE 22 -4.466 2.649 2.150
142 H THR 23 H THR 23 -6.320 10.294 1.612
143 HA THR 23 HA THR 23 -7.544 12.025 -0.305
144 HB THR 23 HB THR 23 -7.593 12.600 2.063
145 HG1 THR 23 HG1 THR 23 -6.368 14.775 1.692
146 HG21 THR 23 3HG2 THR 23 -5.478 13.446 3.130
147 HG22 THR 23 1HG2 THR 23 -4.593 12.738 1.779
148 HG23 THR 23 2HG2 THR 23 -5.528 11.704 2.860
149 H GLN 24 H GLN 24 -4.242 11.111 0.482
150 HA GLN 24 HA GLN 24 -3.327 12.681 -1.837
151 HB2 GLN 24 1HB GLN 24 -1.919 12.155 0.780
152 HB3 GLN 24 2HB GLN 24 -1.103 12.787 -0.643
153 HG2 GLN 24 1HG GLN 24 -3.019 14.580 -0.544
154 HG3 GLN 24 2HG GLN 24 -3.082 14.092 1.148
155 HE21 GLN 24 1HE2 GLN 24 -1.290 14.464 2.473
156 HE22 GLN 24 2HE2 GLN 24 -0.062 15.600 2.043
157 H ASN 25 H ASN 25 -1.066 11.808 -2.561
158 HA ASN 25 HA ASN 25 -1.486 9.068 -3.319
159 HB2 ASN 25 1HB ASN 25 -0.583 10.553 -4.979
160 HB3 ASN 25 2HB ASN 25 0.735 11.030 -3.912
161 HD21 ASN 25 1HD2 ASN 25 2.406 10.393 -5.169
162 HD22 ASN 25 2HD2 ASN 25 2.722 8.748 -5.596
163 H SER 26 H SER 26 1.084 10.796 -1.554
164 HA SER 26 HA SER 26 2.828 8.879 -0.898
165 HB2 SER 26 1HB SER 26 1.641 10.813 1.106
166 HB3 SER 26 2HB SER 26 3.190 9.986 1.267
167 HG SER 26 HG SER 26 3.924 11.690 0.277
168 H HIS 27 H HIS 27 -0.154 9.420 0.983
169 HA HIS 27 HA HIS 27 0.070 7.302 2.740
170 HB2 HIS 27 1HB HIS 27 -2.553 8.171 1.530
171 HB3 HIS 27 2HB HIS 27 -2.269 7.518 3.140
172 HD1 HIS 27 HD1 HIS 27 -3.681 10.262 2.598
173 HD2 HIS 27 HD2 HIS 27 0.327 9.770 3.574
174 HE1 HIS 27 HE1 HIS 27 -2.958 12.455 3.596
175 H LEU 28 H LEU 28 -1.375 7.323 -0.500
176 HA LEU 28 HA LEU 28 -2.206 4.622 -0.475
177 HB2 LEU 28 1HB LEU 28 -3.144 6.199 -2.037
178 HB3 LEU 28 2HB LEU 28 -1.562 6.476 -2.761
179 HG LEU 28 HG LEU 28 -1.563 4.164 -3.603
180 HD11 LEU 28 1HD1 LEU 28 -4.281 4.084 -2.315
181 HD12 LEU 28 2HD1 LEU 28 -2.904 3.024 -2.014
182 HD13 LEU 28 3HD1 LEU 28 -3.758 2.943 -3.555
183 HD21 LEU 28 3HD2 LEU 28 -2.503 4.947 -5.457
184 HD22 LEU 28 1HD2 LEU 28 -3.057 6.339 -4.525
185 HD23 LEU 28 2HD2 LEU 28 -4.104 4.932 -4.715
186 H ALA 29 H ALA 29 0.769 6.209 -1.510
187 HA ALA 29 HA ALA 29 1.965 3.954 -2.720
188 HB1 ALA 29 3HB ALA 29 2.734 6.245 -3.119
189 HB2 ALA 29 1HB ALA 29 3.301 6.342 -1.451
190 HB3 ALA 29 2HB ALA 29 4.049 5.204 -2.573
191 H ARG 30 H ARG 30 2.241 5.312 0.554
192 HA ARG 30 HA ARG 30 4.040 3.303 1.476
193 HB2 ARG 30 1HB ARG 30 3.873 4.322 3.589
194 HB3 ARG 30 2HB ARG 30 3.683 5.643 2.443
195 HG2 ARG 30 1HG ARG 30 1.369 5.788 2.832
196 HG3 ARG 30 2HG ARG 30 1.332 4.230 3.661
197 HD2 ARG 30 1HD ARG 30 3.011 6.456 4.737
198 HD3 ARG 30 2HD ARG 30 1.273 6.443 5.036
199 HE ARG 30 HE ARG 30 1.959 3.984 5.809
200 HH11 ARG 30 1HH1 ARG 30 3.396 7.081 6.490
201 HH12 ARG 30 2HH1 ARG 30 3.989 6.609 8.048
202 HH21 ARG 30 1HH2 ARG 30 2.734 3.351 7.859
203 HH22 ARG 30 2HH2 ARG 30 3.612 4.487 8.825
204 H HIS 31 H HIS 31 0.709 3.329 0.886
205 HA HIS 31 HA HIS 31 0.091 1.279 2.859
206 HB2 HIS 31 1HB HIS 31 -1.648 2.865 2.611
207 HB3 HIS 31 2HB HIS 31 -1.565 2.801 0.853
208 HD1 HIS 31 HD1 HIS 31 -2.637 0.649 3.782
209 HD2 HIS 31 HD2 HIS 31 -3.282 1.025 -0.305
210 HE1 HIS 31 HE1 HIS 31 -4.488 -0.965 3.243
211 H ARG 32 H ARG 32 0.016 1.642 -0.683
212 HA ARG 32 HA ARG 32 -0.789 -0.827 -1.478
213 HB2 ARG 32 1HB ARG 32 1.336 0.973 -2.621
214 HB3 ARG 32 2HB ARG 32 0.879 -0.531 -3.409
215 HG2 ARG 32 1HG ARG 32 -1.547 0.501 -3.139
216 HG3 ARG 32 2HG ARG 32 -0.625 2.005 -3.139
217 HD2 ARG 32 1HD ARG 32 0.407 1.387 -5.258
218 HD3 ARG 32 2HD ARG 32 -0.470 -0.143 -5.250
219 HE ARG 32 HE ARG 32 -2.143 2.204 -5.114
220 HH11 ARG 32 1HH1 ARG 32 -0.546 -0.097 -7.182
221 HH12 ARG 32 2HH1 ARG 32 -1.606 0.178 -8.525
222 HH21 ARG 32 1HH2 ARG 32 -3.545 2.575 -6.875
223 HH22 ARG 32 2HH2 ARG 32 -3.310 1.699 -8.349
224 H ARG 33 H ARG 33 2.467 0.064 -0.406
225 HA ARG 33 HA ARG 33 3.892 -2.197 -0.956
226 HB2 ARG 33 1HB ARG 33 5.131 -1.713 1.222
227 HB3 ARG 33 2HB ARG 33 5.054 -0.409 0.045
228 HG2 ARG 33 1HG ARG 33 4.503 0.780 1.882
229 HG3 ARG 33 2HG ARG 33 2.887 0.201 1.471
230 HD2 ARG 33 1HD ARG 33 3.082 -0.249 3.752
231 HD3 ARG 33 2HD ARG 33 3.432 -1.796 2.983
232 HE ARG 33 HE ARG 33 5.884 -0.782 3.262
233 HH11 ARG 33 1HH1 ARG 33 3.223 -0.984 5.498
234 HH12 ARG 33 2HH1 ARG 33 4.238 -1.091 6.898
235 HH21 ARG 33 1HH2 ARG 33 7.230 -0.921 5.098
236 HH22 ARG 33 2HH2 ARG 33 6.517 -1.054 6.670
237 H VAL 34 H VAL 34 1.551 -1.727 1.630
238 HA VAL 34 HA VAL 34 1.962 -3.857 3.270
239 HB VAL 34 HB VAL 34 -0.422 -3.913 3.731
240 HG11 VAL 34 1HG1 VAL 34 0.331 -2.113 4.878
241 HG12 VAL 34 2HG1 VAL 34 1.019 -1.349 3.444
242 HG13 VAL 34 3HG1 VAL 34 -0.715 -1.250 3.751
243 HG21 VAL 34 3HG2 VAL 34 -0.584 -2.885 0.999
244 HG22 VAL 34 1HG2 VAL 34 -1.765 -3.795 1.942
245 HG23 VAL 34 2HG2 VAL 34 -1.635 -2.047 2.140
246 H HIS 35 H HIS 35 0.663 -3.923 0.015
247 HA HIS 35 HA HIS 35 0.092 -6.775 0.193
248 HB2 HIS 35 1HB HIS 35 -0.221 -4.905 -2.164
249 HB3 HIS 35 2HB HIS 35 -0.858 -6.542 -2.035
250 HD1 HIS 35 HD1 HIS 35 -2.817 -6.886 -0.267
251 HD2 HIS 35 HD2 HIS 35 -1.820 -2.941 -1.106
252 HE1 HIS 35 HE1 HIS 35 -4.743 -5.511 0.583
253 H THR 36 H THR 36 2.466 -7.112 0.604
254 HA THR 36 HA THR 36 3.802 -7.605 -1.962
255 HB THR 36 HB THR 36 5.980 -6.947 -0.982
256 HG1 THR 36 HG1 THR 36 5.514 -7.091 1.220
257 HG21 THR 36 3HG2 THR 36 5.268 -5.226 -2.303
258 HG22 THR 36 1HG2 THR 36 5.263 -4.394 -0.749
259 HG23 THR 36 2HG2 THR 36 3.757 -5.024 -1.416
260 H GLY 37 H GLY 37 3.937 -9.754 -2.067
261 HA2 GLY 37 1HA GLY 37 4.254 -11.947 -1.449
262 HA3 GLY 37 2HA GLY 37 5.592 -11.304 -0.509
263 H GLY 38 H GLY 38 4.871 -13.292 0.768
264 HA2 GLY 38 1HA GLY 38 4.012 -14.103 2.736
265 HA3 GLY 38 2HA GLY 38 3.679 -12.431 3.166
266 H LYS 39 H LYS 39 2.406 -15.283 1.552
267 HA LYS 39 HA LYS 39 -0.301 -14.314 2.132
268 HB2 LYS 39 1HB LYS 39 0.779 -15.203 -0.517
269 HB3 LYS 39 2HB LYS 39 -0.909 -15.502 -0.125
270 HG2 LYS 39 1HG LYS 39 0.135 -12.757 0.282
271 HG3 LYS 39 2HG LYS 39 -0.120 -13.311 -1.374
272 HD2 LYS 39 1HD LYS 39 -2.193 -12.459 -0.950
273 HD3 LYS 39 2HD LYS 39 -2.437 -14.103 -0.354
274 HE2 LYS 39 1HE LYS 39 -2.059 -13.397 1.909
275 HE3 LYS 39 2HE LYS 39 -1.593 -11.783 1.376
276 HZ1 LYS 39 3HZ LYS 39 -3.927 -11.683 0.394
277 HZ2 LYS 39 1HZ LYS 39 -3.784 -11.554 2.075
278 HZ3 LYS 39 2HZ LYS 39 -4.277 -13.014 1.377
279 HA PRO 40 HA PRO 40 -1.065 -18.351 3.674
280 HB2 PRO 40 1HB PRO 40 -3.681 -18.701 3.037
281 HB3 PRO 40 2HB PRO 40 -3.141 -17.599 4.309
282 HG2 PRO 40 1HG PRO 40 -3.929 -16.992 1.485
283 HG3 PRO 40 2HG PRO 40 -4.341 -16.121 2.973
284 HD2 PRO 40 1HD PRO 40 -2.389 -15.290 1.292
285 HD3 PRO 40 2HD PRO 40 -2.312 -15.031 3.046
286 H SER 41 H SER 41 -0.820 -17.754 0.446
287 HA SER 41 HA SER 41 -1.771 -20.324 -0.507
288 HB2 SER 41 1HB SER 41 -2.054 -18.340 -1.926
289 HB3 SER 41 2HB SER 41 -0.307 -18.105 -1.959
290 HG SER 41 HG SER 41 -1.576 -20.471 -2.864
291 H GLY 42 H GLY 42 -0.541 -21.994 0.154
292 HA2 GLY 42 1HA GLY 42 1.547 -23.094 -0.851
293 HA3 GLY 42 2HA GLY 42 2.385 -21.745 -0.099
294 HA PRO 43 HA PRO 43 1.753 -25.456 2.832
295 HB2 PRO 43 1HB PRO 43 4.255 -26.503 2.717
296 HB3 PRO 43 2HB PRO 43 2.946 -27.023 1.649
297 HG2 PRO 43 1HG PRO 43 5.181 -25.107 1.109
298 HG3 PRO 43 2HG PRO 43 4.528 -26.386 0.069
299 HD2 PRO 43 1HD PRO 43 3.876 -23.777 -0.246
300 HD3 PRO 43 2HD PRO 43 2.744 -25.094 -0.612
301 H SER 44 H SER 44 1.637 -23.721 4.350
302 HA SER 44 HA SER 44 4.216 -23.158 5.654
303 HB2 SER 44 1HB SER 44 1.924 -21.210 5.299
304 HB3 SER 44 2HB SER 44 3.400 -20.897 6.212
305 HG SER 44 HG SER 44 3.882 -20.090 4.275
306 H SER 45 H SER 45 0.700 -23.356 6.023
307 HA SER 45 HA SER 45 1.046 -23.745 8.912
308 HB2 SER 45 1HB SER 45 -0.561 -22.022 8.340
309 HB3 SER 45 2HB SER 45 -1.423 -23.130 7.273
310 HG SER 45 HG SER 45 -1.748 -24.436 9.230
311 H GLY 46 H GLY 46 -0.862 -25.108 6.218
312 HA2 GLY 46 1HA GLY 46 -0.865 -27.451 5.722
313 HA3 GLY 46 2HA GLY 46 -0.455 -27.770 7.401
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -26.264 5.585 19.466
2 HA2 GLY 1 1HA GLY 1 -24.719 4.035 17.830
3 HA3 GLY 1 2HA GLY 1 -26.234 4.192 16.954
4 H SER 2 H SER 2 -24.420 5.165 15.501
5 HA SER 2 HA SER 2 -24.893 7.950 15.354
6 HB2 SER 2 1HB SER 2 -22.689 8.824 15.815
7 HB3 SER 2 2HB SER 2 -23.224 7.906 17.223
8 HG SER 2 HG SER 2 -21.056 7.426 16.610
9 H SER 3 H SER 3 -25.177 8.033 13.227
10 HA SER 3 HA SER 3 -23.045 6.978 11.497
11 HB2 SER 3 1HB SER 3 -24.866 5.392 11.348
12 HB3 SER 3 2HB SER 3 -26.028 6.690 11.076
13 HG SER 3 HG SER 3 -23.893 6.584 9.316
14 H GLY 4 H GLY 4 -22.115 8.787 10.753
15 HA2 GLY 4 1HA GLY 4 -23.867 10.748 9.423
16 HA3 GLY 4 2HA GLY 4 -22.608 11.292 10.522
17 H SER 5 H SER 5 -23.000 11.820 7.649
18 HA SER 5 HA SER 5 -20.790 10.417 6.381
19 HB2 SER 5 1HB SER 5 -22.872 12.362 5.414
20 HB3 SER 5 2HB SER 5 -21.459 11.985 4.428
21 HG SER 5 HG SER 5 -23.337 10.642 4.032
22 H SER 6 H SER 6 -18.807 11.231 6.042
23 HA SER 6 HA SER 6 -18.217 13.855 7.191
24 HB2 SER 6 1HB SER 6 -16.403 11.576 6.369
25 HB3 SER 6 2HB SER 6 -15.836 13.108 7.034
26 HG SER 6 HG SER 6 -16.033 11.566 8.675
27 H GLY 7 H GLY 7 -19.001 15.160 5.494
28 HA2 GLY 7 1HA GLY 7 -18.932 16.259 3.471
29 HA3 GLY 7 2HA GLY 7 -17.193 16.102 3.666
30 H THR 8 H THR 8 -17.516 16.134 1.222
31 HA THR 8 HA THR 8 -18.642 14.241 -0.342
32 HB THR 8 HB THR 8 -17.273 16.092 -1.225
33 HG1 THR 8 HG1 THR 8 -17.053 14.966 -3.009
34 HG21 THR 8 3HG2 THR 8 -14.946 14.365 -0.376
35 HG22 THR 8 1HG2 THR 8 -15.364 15.953 0.266
36 HG23 THR 8 2HG2 THR 8 -14.825 15.791 -1.405
37 H GLY 9 H GLY 9 -18.166 12.179 -1.097
38 HA2 GLY 9 1HA GLY 9 -16.139 10.708 0.474
39 HA3 GLY 9 2HA GLY 9 -17.711 10.029 0.080
40 H GLU 10 H GLU 10 -15.007 11.587 -1.653
41 HA GLU 10 HA GLU 10 -14.550 9.273 -3.266
42 HB2 GLU 10 1HB GLU 10 -15.141 10.283 -5.431
43 HB3 GLU 10 2HB GLU 10 -16.549 10.073 -4.399
44 HG2 GLU 10 1HG GLU 10 -16.175 12.515 -3.722
45 HG3 GLU 10 2HG GLU 10 -15.125 12.600 -5.136
46 H LYS 11 H LYS 11 -12.467 9.259 -3.790
47 HA LYS 11 HA LYS 11 -11.077 11.813 -4.197
48 HB2 LYS 11 1HB LYS 11 -9.911 9.542 -2.585
49 HB3 LYS 11 2HB LYS 11 -9.221 11.141 -2.829
50 HG2 LYS 11 1HG LYS 11 -11.390 11.975 -1.679
51 HG3 LYS 11 2HG LYS 11 -11.508 10.312 -1.097
52 HD2 LYS 11 1HD LYS 11 -9.020 10.680 -0.399
53 HD3 LYS 11 2HD LYS 11 -9.441 12.391 -0.505
54 HE2 LYS 11 1HE LYS 11 -11.081 10.432 1.078
55 HE3 LYS 11 2HE LYS 11 -9.687 11.261 1.770
56 HZ1 LYS 11 3HZ LYS 11 -11.211 13.214 0.551
57 HZ2 LYS 11 1HZ LYS 11 -11.036 12.943 2.212
58 HZ3 LYS 11 2HZ LYS 11 -12.318 12.230 1.369
59 HA PRO 12 HA PRO 12 -9.298 9.877 -7.715
60 HB2 PRO 12 1HB PRO 12 -6.918 11.173 -7.862
61 HB3 PRO 12 2HB PRO 12 -8.457 11.941 -8.270
62 HG2 PRO 12 1HG PRO 12 -6.863 12.117 -5.742
63 HG3 PRO 12 2HG PRO 12 -7.694 13.406 -6.633
64 HD2 PRO 12 1HD PRO 12 -8.746 12.251 -4.421
65 HD3 PRO 12 2HD PRO 12 -9.753 12.860 -5.750
66 H TYR 13 H TYR 13 -7.484 9.934 -4.717
67 HA TYR 13 HA TYR 13 -5.617 7.909 -5.629
68 HB2 TYR 13 1HB TYR 13 -5.924 8.968 -2.819
69 HB3 TYR 13 2HB TYR 13 -4.516 8.187 -3.530
70 HD1 TYR 13 HD1 TYR 13 -3.030 9.413 -5.016
71 HD2 TYR 13 HD2 TYR 13 -6.425 11.298 -3.278
72 HE1 TYR 13 HE1 TYR 13 -2.119 11.612 -5.636
73 HE2 TYR 13 HE2 TYR 13 -5.524 13.502 -3.894
74 HH TYR 13 HH TYR 13 -2.334 13.969 -4.895
75 H LYS 14 H LYS 14 -6.592 5.978 -5.911
76 HA LYS 14 HA LYS 14 -7.806 4.751 -3.537
77 HB2 LYS 14 1HB LYS 14 -9.703 5.356 -4.852
78 HB3 LYS 14 2HB LYS 14 -8.946 4.777 -6.330
79 HG2 LYS 14 1HG LYS 14 -8.977 2.471 -5.229
80 HG3 LYS 14 2HG LYS 14 -10.101 3.184 -4.070
81 HD2 LYS 14 1HD LYS 14 -11.504 3.900 -6.032
82 HD3 LYS 14 2HD LYS 14 -10.447 2.920 -7.052
83 HE2 LYS 14 1HE LYS 14 -12.282 1.538 -6.559
84 HE3 LYS 14 2HE LYS 14 -10.993 0.989 -5.490
85 HZ1 LYS 14 3HZ LYS 14 -11.979 2.103 -3.666
86 HZ2 LYS 14 1HZ LYS 14 -13.221 1.242 -4.427
87 HZ3 LYS 14 2HZ LYS 14 -13.088 2.913 -4.653
88 H CYS 15 H CYS 15 -7.053 2.769 -3.106
89 HA CYS 15 HA CYS 15 -4.941 1.676 -4.673
90 HB2 CYS 15 1HB CYS 15 -5.123 1.475 -2.183
91 HB3 CYS 15 2HB CYS 15 -6.457 0.351 -2.417
92 H ASN 16 H ASN 16 -5.048 0.328 -6.339
93 HA ASN 16 HA ASN 16 -7.621 -0.804 -7.086
94 HB2 ASN 16 1HB ASN 16 -5.942 0.390 -8.669
95 HB3 ASN 16 2HB ASN 16 -5.080 -1.146 -8.654
96 HD21 ASN 16 1HD2 ASN 16 -7.646 0.624 -9.965
97 HD22 ASN 16 2HD2 ASN 16 -8.354 -0.638 -10.910
98 H GLU 17 H GLU 17 -5.649 -1.789 -4.897
99 HA GLU 17 HA GLU 17 -5.323 -4.551 -5.827
100 HB2 GLU 17 1HB GLU 17 -4.273 -3.353 -3.264
101 HB3 GLU 17 2HB GLU 17 -3.784 -4.862 -4.022
102 HG2 GLU 17 1HG GLU 17 -3.272 -2.080 -5.044
103 HG3 GLU 17 2HG GLU 17 -2.089 -3.201 -4.373
104 H CYS 18 H CYS 18 -6.365 -2.849 -2.868
105 HA CYS 18 HA CYS 18 -8.095 -5.138 -2.242
106 HB2 CYS 18 1HB CYS 18 -8.221 -4.101 0.036
107 HB3 CYS 18 2HB CYS 18 -6.599 -4.590 -0.443
108 H GLY 19 H GLY 19 -8.123 -1.589 -2.421
109 HA2 GLY 19 1HA GLY 19 -10.102 -0.697 -3.674
110 HA3 GLY 19 2HA GLY 19 -11.068 -1.728 -2.629
111 H LYS 20 H LYS 20 -8.282 0.194 -1.646
112 HA LYS 20 HA LYS 20 -10.026 1.627 0.226
113 HB2 LYS 20 1HB LYS 20 -7.046 1.158 0.167
114 HB3 LYS 20 2HB LYS 20 -7.805 2.289 1.280
115 HG2 LYS 20 1HG LYS 20 -9.110 0.482 2.253
116 HG3 LYS 20 2HG LYS 20 -8.394 -0.661 1.114
117 HD2 LYS 20 1HD LYS 20 -7.020 -1.013 2.900
118 HD3 LYS 20 2HD LYS 20 -6.146 0.314 2.130
119 HE2 LYS 20 1HE LYS 20 -8.266 0.989 4.101
120 HE3 LYS 20 2HE LYS 20 -6.746 0.337 4.712
121 HZ1 LYS 20 3HZ LYS 20 -6.740 2.764 4.616
122 HZ2 LYS 20 1HZ LYS 20 -6.996 2.711 2.945
123 HZ3 LYS 20 2HZ LYS 20 -5.560 2.103 3.600
124 H VAL 21 H VAL 21 -9.335 3.931 0.702
125 HA VAL 21 HA VAL 21 -8.385 5.314 -1.709
126 HB VAL 21 HB VAL 21 -10.711 6.389 -0.137
127 HG11 VAL 21 1HG1 VAL 21 -9.855 6.880 -2.985
128 HG12 VAL 21 2HG1 VAL 21 -11.070 7.767 -2.061
129 HG13 VAL 21 3HG1 VAL 21 -9.366 7.881 -1.619
130 HG21 VAL 21 3HG2 VAL 21 -12.245 5.440 -1.723
131 HG22 VAL 21 1HG2 VAL 21 -10.920 4.735 -2.649
132 HG23 VAL 21 2HG2 VAL 21 -11.282 4.136 -1.030
133 H PHE 22 H PHE 22 -7.476 7.381 -1.345
134 HA PHE 22 HA PHE 22 -7.063 8.173 1.442
135 HB2 PHE 22 1HB PHE 22 -4.778 7.887 -0.518
136 HB3 PHE 22 2HB PHE 22 -4.666 8.374 1.170
137 HD1 PHE 22 HD2 PHE 22 -5.517 5.545 -1.057
138 HD2 PHE 22 HD1 PHE 22 -4.467 6.784 2.877
139 HE1 PHE 22 HE2 PHE 22 -5.206 3.194 -0.404
140 HE2 PHE 22 HE1 PHE 22 -4.153 4.434 3.537
141 HZ PHE 22 HZ PHE 22 -4.524 2.635 1.896
142 H THR 23 H THR 23 -6.099 10.355 1.625
143 HA THR 23 HA THR 23 -7.331 12.124 -0.305
144 HB THR 23 HB THR 23 -7.577 12.687 2.036
145 HG1 THR 23 HG1 THR 23 -7.538 14.593 1.068
146 HG21 THR 23 3HG2 THR 23 -4.567 12.650 2.045
147 HG22 THR 23 1HG2 THR 23 -5.675 11.738 3.070
148 HG23 THR 23 2HG2 THR 23 -5.506 13.481 3.286
149 H GLN 24 H GLN 24 -4.146 11.001 0.514
150 HA GLN 24 HA GLN 24 -3.047 12.700 -1.623
151 HB2 GLN 24 1HB GLN 24 -1.699 11.986 0.987
152 HB3 GLN 24 2HB GLN 24 -0.935 12.844 -0.344
153 HG2 GLN 24 1HG GLN 24 -2.974 14.475 -0.018
154 HG3 GLN 24 2HG GLN 24 -2.971 13.783 1.603
155 HE21 GLN 24 1HE2 GLN 24 -2.537 16.210 1.888
156 HE22 GLN 24 2HE2 GLN 24 -0.873 16.662 1.994
157 H ASN 25 H ASN 25 -1.294 11.806 -2.809
158 HA ASN 25 HA ASN 25 -1.562 9.081 -3.414
159 HB2 ASN 25 1HB ASN 25 0.772 9.535 -4.550
160 HB3 ASN 25 2HB ASN 25 -0.691 10.283 -5.184
161 HD21 ASN 25 1HD2 ASN 25 0.180 12.091 -6.032
162 HD22 ASN 25 2HD2 ASN 25 0.979 13.311 -5.106
163 H SER 26 H SER 26 0.831 10.813 -1.464
164 HA SER 26 HA SER 26 2.687 8.877 -0.968
165 HB2 SER 26 1HB SER 26 1.545 10.755 1.114
166 HB3 SER 26 2HB SER 26 3.122 9.969 1.173
167 HG SER 26 HG SER 26 3.701 11.146 -0.690
168 H HIS 27 H HIS 27 -0.123 9.449 1.159
169 HA HIS 27 HA HIS 27 0.109 7.278 2.806
170 HB2 HIS 27 1HB HIS 27 -2.565 8.174 1.741
171 HB3 HIS 27 2HB HIS 27 -2.190 7.532 3.337
172 HD1 HIS 27 HD1 HIS 27 -3.607 10.301 2.786
173 HD2 HIS 27 HD2 HIS 27 0.414 9.755 3.677
174 HE1 HIS 27 HE1 HIS 27 -2.827 12.492 3.742
175 H LEU 28 H LEU 28 -1.303 7.374 -0.429
176 HA LEU 28 HA LEU 28 -2.286 4.720 -0.428
177 HB2 LEU 28 1HB LEU 28 -3.133 6.312 -2.004
178 HB3 LEU 28 2HB LEU 28 -1.523 6.580 -2.670
179 HG LEU 28 HG LEU 28 -1.526 4.316 -3.594
180 HD11 LEU 28 1HD1 LEU 28 -4.238 4.164 -2.304
181 HD12 LEU 28 2HD1 LEU 28 -2.852 3.101 -2.058
182 HD13 LEU 28 3HD1 LEU 28 -3.720 3.078 -3.594
183 HD21 LEU 28 3HD2 LEU 28 -2.265 5.875 -5.148
184 HD22 LEU 28 1HD2 LEU 28 -3.766 6.182 -4.275
185 HD23 LEU 28 2HD2 LEU 28 -3.553 4.668 -5.154
186 H ALA 29 H ALA 29 0.708 6.152 -1.701
187 HA ALA 29 HA ALA 29 1.809 3.804 -2.758
188 HB1 ALA 29 3HB ALA 29 2.749 5.892 -3.388
189 HB2 ALA 29 1HB ALA 29 3.113 6.308 -1.713
190 HB3 ALA 29 2HB ALA 29 4.000 5.009 -2.512
191 H ARG 30 H ARG 30 2.339 5.334 0.416
192 HA ARG 30 HA ARG 30 4.070 3.347 1.412
193 HB2 ARG 30 1HB ARG 30 3.639 4.324 3.609
194 HB3 ARG 30 2HB ARG 30 3.896 5.582 2.407
195 HG2 ARG 30 1HG ARG 30 1.483 5.937 2.259
196 HG3 ARG 30 2HG ARG 30 1.227 4.674 3.465
197 HD2 ARG 30 1HD ARG 30 2.923 6.169 4.846
198 HD3 ARG 30 2HD ARG 30 2.294 7.429 3.785
199 HE ARG 30 HE ARG 30 0.202 5.903 4.970
200 HH11 ARG 30 1HH1 ARG 30 2.481 8.463 5.577
201 HH12 ARG 30 2HH1 ARG 30 1.508 9.218 6.796
202 HH21 ARG 30 1HH2 ARG 30 -1.089 6.888 6.573
203 HH22 ARG 30 2HH2 ARG 30 -0.522 8.320 7.362
204 H HIS 31 H HIS 31 0.712 3.337 0.874
205 HA HIS 31 HA HIS 31 0.133 1.318 2.879
206 HB2 HIS 31 1HB HIS 31 -1.695 2.728 2.631
207 HB3 HIS 31 2HB HIS 31 -1.489 2.857 0.886
208 HD1 HIS 31 HD1 HIS 31 -2.772 0.458 3.506
209 HD2 HIS 31 HD2 HIS 31 -2.964 1.081 -0.597
210 HE1 HIS 31 HE1 HIS 31 -4.498 -1.163 2.660
211 H ARG 32 H ARG 32 0.085 1.551 -0.674
212 HA ARG 32 HA ARG 32 -0.645 -0.982 -1.364
213 HB2 ARG 32 1HB ARG 32 1.496 0.734 -2.630
214 HB3 ARG 32 2HB ARG 32 0.823 -0.711 -3.374
215 HG2 ARG 32 1HG ARG 32 -1.339 0.291 -3.531
216 HG3 ARG 32 2HG ARG 32 -0.817 1.681 -2.577
217 HD2 ARG 32 1HD ARG 32 0.419 2.573 -4.305
218 HD3 ARG 32 2HD ARG 32 0.636 1.011 -5.094
219 HE ARG 32 HE ARG 32 -1.991 1.377 -5.372
220 HH11 ARG 32 1HH1 ARG 32 0.688 3.533 -5.919
221 HH12 ARG 32 2HH1 ARG 32 -0.112 4.417 -7.177
222 HH21 ARG 32 1HH2 ARG 32 -3.054 2.533 -7.026
223 HH22 ARG 32 2HH2 ARG 32 -2.240 3.848 -7.805
224 H ARG 33 H ARG 33 2.432 0.061 -0.059
225 HA ARG 33 HA ARG 33 4.106 -2.021 -0.632
226 HB2 ARG 33 1HB ARG 33 5.320 -1.494 1.375
227 HB3 ARG 33 2HB ARG 33 4.691 0.004 0.702
228 HG2 ARG 33 1HG ARG 33 4.162 0.328 2.884
229 HG3 ARG 33 2HG ARG 33 2.699 -0.510 2.362
230 HD2 ARG 33 1HD ARG 33 4.064 -2.647 3.032
231 HD3 ARG 33 2HD ARG 33 4.974 -1.502 4.016
232 HE ARG 33 HE ARG 33 2.402 -2.534 4.579
233 HH11 ARG 33 1HH1 ARG 33 4.283 0.388 4.780
234 HH12 ARG 33 2HH1 ARG 33 3.400 1.018 6.130
235 HH21 ARG 33 1HH2 ARG 33 1.231 -1.715 6.357
236 HH22 ARG 33 2HH2 ARG 33 1.665 -0.179 7.027
237 H VAL 34 H VAL 34 1.487 -1.958 1.715
238 HA VAL 34 HA VAL 34 1.983 -4.217 3.198
239 HB VAL 34 HB VAL 34 -0.372 -4.390 3.619
240 HG11 VAL 34 1HG1 VAL 34 0.109 -2.577 4.851
241 HG12 VAL 34 2HG1 VAL 34 0.938 -1.770 3.518
242 HG13 VAL 34 3HG1 VAL 34 -0.821 -1.704 3.633
243 HG21 VAL 34 3HG2 VAL 34 -0.721 -2.708 1.140
244 HG22 VAL 34 1HG2 VAL 34 -1.237 -4.378 1.379
245 HG23 VAL 34 2HG2 VAL 34 -2.012 -3.078 2.284
246 H HIS 35 H HIS 35 0.607 -3.999 -0.045
247 HA HIS 35 HA HIS 35 0.045 -6.797 -0.250
248 HB2 HIS 35 1HB HIS 35 0.288 -4.701 -2.419
249 HB3 HIS 35 2HB HIS 35 -0.388 -6.314 -2.625
250 HD1 HIS 35 HD1 HIS 35 -2.678 -6.783 -1.365
251 HD2 HIS 35 HD2 HIS 35 -1.455 -2.813 -1.449
252 HE1 HIS 35 HE1 HIS 35 -4.713 -5.439 -0.751
253 H THR 36 H THR 36 2.651 -4.677 -1.356
254 HA THR 36 HA THR 36 4.100 -6.969 -2.446
255 HB THR 36 HB THR 36 5.745 -5.260 -3.228
256 HG1 THR 36 HG1 THR 36 4.904 -3.720 -1.494
257 HG21 THR 36 3HG2 THR 36 4.552 -4.900 -5.117
258 HG22 THR 36 1HG2 THR 36 3.176 -4.224 -4.246
259 HG23 THR 36 2HG2 THR 36 3.387 -5.972 -4.340
260 H GLY 37 H GLY 37 3.764 -6.943 0.359
261 HA2 GLY 37 1HA GLY 37 6.497 -6.315 1.289
262 HA3 GLY 37 2HA GLY 37 5.080 -6.331 2.328
263 H GLY 38 H GLY 38 7.108 -8.421 0.297
264 HA2 GLY 38 1HA GLY 38 8.050 -10.454 1.063
265 HA3 GLY 38 2HA GLY 38 6.820 -10.524 2.316
266 H LYS 39 H LYS 39 4.673 -11.169 1.730
267 HA LYS 39 HA LYS 39 4.554 -12.678 -0.799
268 HB2 LYS 39 1HB LYS 39 3.358 -13.498 1.855
269 HB3 LYS 39 2HB LYS 39 3.241 -14.396 0.347
270 HG2 LYS 39 1HG LYS 39 5.951 -13.748 1.361
271 HG3 LYS 39 2HG LYS 39 5.023 -14.991 2.203
272 HD2 LYS 39 1HD LYS 39 6.033 -16.306 0.642
273 HD3 LYS 39 2HD LYS 39 4.616 -15.820 -0.292
274 HE2 LYS 39 1HE LYS 39 6.192 -13.802 -0.951
275 HE3 LYS 39 2HE LYS 39 7.454 -14.964 -0.546
276 HZ1 LYS 39 3HZ LYS 39 6.265 -16.534 -2.092
277 HZ2 LYS 39 1HZ LYS 39 7.035 -15.219 -2.829
278 HZ3 LYS 39 2HZ LYS 39 5.356 -15.209 -2.621
279 HA PRO 40 HA PRO 40 0.904 -10.349 -1.626
280 HB2 PRO 40 1HB PRO 40 -0.190 -11.969 -3.510
281 HB3 PRO 40 2HB PRO 40 1.213 -10.941 -3.824
282 HG2 PRO 40 1HG PRO 40 1.112 -13.864 -3.188
283 HG3 PRO 40 2HG PRO 40 2.095 -13.015 -4.396
284 HD2 PRO 40 1HD PRO 40 3.086 -13.798 -2.001
285 HD3 PRO 40 2HD PRO 40 3.652 -12.338 -2.837
286 H SER 41 H SER 41 -1.387 -10.432 -1.398
287 HA SER 41 HA SER 41 -2.599 -12.852 -0.353
288 HB2 SER 41 1HB SER 41 -1.760 -12.005 1.709
289 HB3 SER 41 2HB SER 41 -2.243 -10.356 1.309
290 HG SER 41 HG SER 41 -3.735 -12.444 2.329
291 H GLY 42 H GLY 42 -4.420 -13.016 -1.474
292 HA2 GLY 42 1HA GLY 42 -6.181 -10.684 -1.661
293 HA3 GLY 42 2HA GLY 42 -5.684 -11.451 -3.162
294 HA PRO 43 HA PRO 43 -8.330 -14.761 -0.839
295 HB2 PRO 43 1HB PRO 43 -9.556 -13.968 1.449
296 HB3 PRO 43 2HB PRO 43 -7.940 -14.684 1.424
297 HG2 PRO 43 1HG PRO 43 -8.733 -11.803 1.595
298 HG3 PRO 43 2HG PRO 43 -7.476 -12.672 2.493
299 HD2 PRO 43 1HD PRO 43 -6.920 -11.103 0.357
300 HD3 PRO 43 2HD PRO 43 -5.972 -12.552 0.750
301 H SER 44 H SER 44 -9.049 -11.622 -1.656
302 HA SER 44 HA SER 44 -11.952 -12.028 -1.622
303 HB2 SER 44 1HB SER 44 -12.161 -9.664 -2.027
304 HB3 SER 44 2HB SER 44 -10.978 -9.884 -0.738
305 HG SER 44 HG SER 44 -9.542 -9.927 -2.861
306 H SER 45 H SER 45 -13.156 -11.302 -3.581
307 HA SER 45 HA SER 45 -12.573 -12.810 -5.793
308 HB2 SER 45 1HB SER 45 -14.721 -11.479 -5.184
309 HB3 SER 45 2HB SER 45 -13.983 -10.173 -6.109
310 HG SER 45 HG SER 45 -14.157 -11.330 -7.923
311 H GLY 46 H GLY 46 -12.047 -9.286 -5.535
312 HA2 GLY 46 1HA GLY 46 -10.649 -9.041 -7.968
313 HA3 GLY 46 2HA GLY 46 -10.595 -7.892 -6.639
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -33.098 0.039 -5.250
2 HA2 GLY 1 1HA GLY 1 -31.045 -1.113 -3.527
3 HA3 GLY 1 2HA GLY 1 -31.156 0.565 -4.037
4 H SER 2 H SER 2 -31.817 -1.683 -1.571
5 HA SER 2 HA SER 2 -33.919 -0.698 -0.150
6 HB2 SER 2 1HB SER 2 -31.274 -1.798 0.777
7 HB3 SER 2 2HB SER 2 -32.514 -1.312 1.933
8 HG SER 2 HG SER 2 -33.225 -3.000 -0.187
9 H SER 3 H SER 3 -30.553 0.400 0.309
10 HA SER 3 HA SER 3 -31.457 3.127 0.669
11 HB2 SER 3 1HB SER 3 -30.268 3.325 2.887
12 HB3 SER 3 2HB SER 3 -31.750 2.369 2.928
13 HG SER 3 HG SER 3 -30.587 0.542 3.120
14 H GLY 4 H GLY 4 -29.783 4.664 0.506
15 HA2 GLY 4 1HA GLY 4 -27.273 4.924 0.556
16 HA3 GLY 4 2HA GLY 4 -27.254 3.536 -0.521
17 H SER 5 H SER 5 -27.128 6.843 -0.387
18 HA SER 5 HA SER 5 -28.236 7.179 -3.088
19 HB2 SER 5 1HB SER 5 -29.116 8.705 -1.360
20 HB3 SER 5 2HB SER 5 -27.480 9.286 -1.048
21 HG SER 5 HG SER 5 -28.352 9.378 -3.683
22 H SER 6 H SER 6 -25.371 7.871 -1.122
23 HA SER 6 HA SER 6 -23.622 7.472 -3.343
24 HB2 SER 6 1HB SER 6 -24.236 9.695 -3.987
25 HB3 SER 6 2HB SER 6 -24.068 10.286 -2.335
26 HG SER 6 HG SER 6 -21.804 9.749 -2.527
27 H GLY 7 H GLY 7 -21.968 6.443 -2.454
28 HA2 GLY 7 1HA GLY 7 -21.030 7.343 0.200
29 HA3 GLY 7 2HA GLY 7 -21.143 5.641 -0.225
30 H THR 8 H THR 8 -19.861 8.477 -1.957
31 HA THR 8 HA THR 8 -17.238 7.145 -2.022
32 HB THR 8 HB THR 8 -18.557 8.544 -4.357
33 HG1 THR 8 HG1 THR 8 -18.239 6.322 -5.240
34 HG21 THR 8 3HG2 THR 8 -16.153 7.007 -4.902
35 HG22 THR 8 1HG2 THR 8 -15.850 8.342 -3.790
36 HG23 THR 8 2HG2 THR 8 -16.567 8.656 -5.371
37 H GLY 9 H GLY 9 -16.203 8.455 -0.586
38 HA2 GLY 9 1HA GLY 9 -16.547 11.200 -0.256
39 HA3 GLY 9 2HA GLY 9 -15.091 10.314 0.172
40 H GLU 10 H GLU 10 -14.752 12.842 -0.623
41 HA GLU 10 HA GLU 10 -14.253 12.948 -3.475
42 HB2 GLU 10 1HB GLU 10 -15.090 14.945 -2.375
43 HB3 GLU 10 2HB GLU 10 -13.722 14.945 -1.270
44 HG2 GLU 10 1HG GLU 10 -12.210 15.527 -2.983
45 HG3 GLU 10 2HG GLU 10 -13.395 15.190 -4.243
46 H LYS 11 H LYS 11 -12.736 11.099 -3.358
47 HA LYS 11 HA LYS 11 -10.012 12.092 -2.948
48 HB2 LYS 11 1HB LYS 11 -11.071 9.473 -1.873
49 HB3 LYS 11 2HB LYS 11 -9.365 9.896 -1.948
50 HG2 LYS 11 1HG LYS 11 -9.794 10.495 0.195
51 HG3 LYS 11 2HG LYS 11 -10.208 12.014 -0.603
52 HD2 LYS 11 1HD LYS 11 -12.470 11.700 -0.322
53 HD3 LYS 11 2HD LYS 11 -12.324 9.942 -0.245
54 HE2 LYS 11 1HE LYS 11 -11.303 11.802 1.894
55 HE3 LYS 11 2HE LYS 11 -12.905 11.067 1.925
56 HZ1 LYS 11 3HZ LYS 11 -10.709 9.971 3.006
57 HZ2 LYS 11 1HZ LYS 11 -10.737 9.207 1.497
58 HZ3 LYS 11 2HZ LYS 11 -12.074 9.094 2.527
59 HA PRO 12 HA PRO 12 -10.099 10.285 -7.081
60 HB2 PRO 12 1HB PRO 12 -7.817 11.505 -7.899
61 HB3 PRO 12 2HB PRO 12 -9.384 12.321 -7.868
62 HG2 PRO 12 1HG PRO 12 -7.144 12.448 -5.886
63 HG3 PRO 12 2HG PRO 12 -8.151 13.762 -6.522
64 HD2 PRO 12 1HD PRO 12 -8.578 12.643 -4.093
65 HD3 PRO 12 2HD PRO 12 -9.897 13.283 -5.095
66 H TYR 13 H TYR 13 -7.853 10.004 -4.512
67 HA TYR 13 HA TYR 13 -6.168 8.098 -5.939
68 HB2 TYR 13 1HB TYR 13 -5.973 9.063 -3.079
69 HB3 TYR 13 2HB TYR 13 -4.765 8.123 -3.947
70 HD1 TYR 13 HD2 TYR 13 -6.557 11.387 -4.051
71 HD2 TYR 13 HD1 TYR 13 -3.057 9.208 -5.099
72 HE1 TYR 13 HE2 TYR 13 -5.499 13.469 -4.822
73 HE2 TYR 13 HE1 TYR 13 -1.988 11.285 -5.872
74 HH TYR 13 HH TYR 13 -3.508 13.961 -6.635
75 H LYS 14 H LYS 14 -6.740 6.040 -6.013
76 HA LYS 14 HA LYS 14 -7.857 4.775 -3.623
77 HB2 LYS 14 1HB LYS 14 -9.848 5.215 -4.821
78 HB3 LYS 14 2HB LYS 14 -9.113 4.783 -6.359
79 HG2 LYS 14 1HG LYS 14 -8.924 2.430 -5.469
80 HG3 LYS 14 2HG LYS 14 -9.948 2.951 -4.129
81 HD2 LYS 14 1HD LYS 14 -11.698 3.590 -5.709
82 HD3 LYS 14 2HD LYS 14 -10.671 3.097 -7.057
83 HE2 LYS 14 1HE LYS 14 -10.770 0.819 -6.414
84 HE3 LYS 14 2HE LYS 14 -11.478 1.218 -4.849
85 HZ1 LYS 14 3HZ LYS 14 -13.341 2.223 -6.366
86 HZ2 LYS 14 1HZ LYS 14 -13.323 0.573 -5.992
87 HZ3 LYS 14 2HZ LYS 14 -12.744 1.108 -7.488
88 H CYS 15 H CYS 15 -7.225 2.683 -3.318
89 HA CYS 15 HA CYS 15 -5.010 1.755 -4.898
90 HB2 CYS 15 1HB CYS 15 -5.099 1.497 -2.427
91 HB3 CYS 15 2HB CYS 15 -6.443 0.375 -2.619
92 H ASN 16 H ASN 16 -5.099 0.449 -6.596
93 HA ASN 16 HA ASN 16 -7.633 -0.781 -7.318
94 HB2 ASN 16 1HB ASN 16 -5.056 -0.868 -8.889
95 HB3 ASN 16 2HB ASN 16 -6.695 -1.108 -9.488
96 HD21 ASN 16 1HD2 ASN 16 -8.005 0.656 -9.861
97 HD22 ASN 16 2HD2 ASN 16 -7.398 2.273 -9.903
98 H GLU 17 H GLU 17 -5.549 -1.716 -5.194
99 HA GLU 17 HA GLU 17 -5.120 -4.442 -6.178
100 HB2 GLU 17 1HB GLU 17 -4.130 -3.276 -3.578
101 HB3 GLU 17 2HB GLU 17 -3.554 -4.719 -4.401
102 HG2 GLU 17 1HG GLU 17 -3.167 -1.855 -5.216
103 HG3 GLU 17 2HG GLU 17 -1.938 -3.024 -4.735
104 H CYS 18 H CYS 18 -6.241 -2.862 -3.180
105 HA CYS 18 HA CYS 18 -7.892 -5.234 -2.639
106 HB2 CYS 18 1HB CYS 18 -7.990 -4.367 -0.306
107 HB3 CYS 18 2HB CYS 18 -6.354 -4.731 -0.844
108 H GLY 19 H GLY 19 -7.998 -1.677 -2.513
109 HA2 GLY 19 1HA GLY 19 -10.035 -0.791 -3.739
110 HA3 GLY 19 2HA GLY 19 -10.941 -1.857 -2.675
111 H LYS 20 H LYS 20 -8.130 0.023 -1.715
112 HA LYS 20 HA LYS 20 -9.775 1.365 0.288
113 HB2 LYS 20 1HB LYS 20 -6.848 0.850 -0.040
114 HB3 LYS 20 2HB LYS 20 -7.366 2.197 0.966
115 HG2 LYS 20 1HG LYS 20 -8.913 0.354 2.040
116 HG3 LYS 20 2HG LYS 20 -7.673 -0.725 1.396
117 HD2 LYS 20 1HD LYS 20 -6.010 0.901 2.533
118 HD3 LYS 20 2HD LYS 20 -7.417 1.438 3.454
119 HE2 LYS 20 1HE LYS 20 -6.633 -1.457 3.242
120 HE3 LYS 20 2HE LYS 20 -5.984 -0.394 4.489
121 HZ1 LYS 20 3HZ LYS 20 -8.115 -1.805 4.924
122 HZ2 LYS 20 1HZ LYS 20 -8.892 -0.533 4.124
123 HZ3 LYS 20 2HZ LYS 20 -7.998 -0.229 5.527
124 H VAL 21 H VAL 21 -9.066 3.699 0.782
125 HA VAL 21 HA VAL 21 -8.465 5.194 -1.666
126 HB VAL 21 HB VAL 21 -10.709 6.063 0.139
127 HG11 VAL 21 1HG1 VAL 21 -11.317 7.476 -1.727
128 HG12 VAL 21 2HG1 VAL 21 -9.625 7.746 -1.305
129 HG13 VAL 21 3HG1 VAL 21 -10.039 6.770 -2.715
130 HG21 VAL 21 3HG2 VAL 21 -11.286 3.865 -0.784
131 HG22 VAL 21 1HG2 VAL 21 -12.289 5.144 -1.470
132 HG23 VAL 21 2HG2 VAL 21 -10.959 4.466 -2.410
133 H PHE 22 H PHE 22 -7.619 7.284 -1.324
134 HA PHE 22 HA PHE 22 -7.057 8.081 1.428
135 HB2 PHE 22 1HB PHE 22 -4.839 7.897 -0.613
136 HB3 PHE 22 2HB PHE 22 -4.694 8.272 1.102
137 HD1 PHE 22 HD2 PHE 22 -5.499 5.589 -1.307
138 HD2 PHE 22 HD1 PHE 22 -4.472 6.568 2.706
139 HE1 PHE 22 HE2 PHE 22 -5.128 3.205 -0.824
140 HE2 PHE 22 HE1 PHE 22 -4.099 4.185 3.195
141 HZ PHE 22 HZ PHE 22 -4.429 2.500 1.429
142 H THR 23 H THR 23 -6.247 10.287 1.595
143 HA THR 23 HA THR 23 -7.546 12.004 -0.329
144 HB THR 23 HB THR 23 -7.767 12.569 2.015
145 HG1 THR 23 HG1 THR 23 -7.362 14.710 1.761
146 HG21 THR 23 3HG2 THR 23 -6.090 12.562 3.505
147 HG22 THR 23 1HG2 THR 23 -5.024 13.477 2.440
148 HG23 THR 23 2HG2 THR 23 -5.160 11.728 2.261
149 H GLN 24 H GLN 24 -4.320 10.966 0.409
150 HA GLN 24 HA GLN 24 -3.311 12.716 -1.731
151 HB2 GLN 24 1HB GLN 24 -2.018 12.075 0.917
152 HB3 GLN 24 2HB GLN 24 -1.121 12.732 -0.445
153 HG2 GLN 24 1HG GLN 24 -2.278 14.763 -0.376
154 HG3 GLN 24 2HG GLN 24 -3.554 14.099 0.643
155 HE21 GLN 24 1HE2 GLN 24 -0.049 14.638 0.655
156 HE22 GLN 24 2HE2 GLN 24 0.047 15.105 2.316
157 H ASN 25 H ASN 25 -0.987 11.875 -2.367
158 HA ASN 25 HA ASN 25 -1.384 9.149 -3.245
159 HB2 ASN 25 1HB ASN 25 -0.471 10.314 -4.994
160 HB3 ASN 25 2HB ASN 25 0.455 11.380 -3.941
161 HD21 ASN 25 1HD2 ASN 25 2.477 11.178 -4.625
162 HD22 ASN 25 2HD2 ASN 25 3.334 9.686 -4.790
163 H SER 26 H SER 26 1.244 10.880 -1.563
164 HA SER 26 HA SER 26 2.950 8.898 -0.936
165 HB2 SER 26 1HB SER 26 3.308 11.183 -0.177
166 HB3 SER 26 2HB SER 26 1.971 11.043 0.964
167 HG SER 26 HG SER 26 3.308 9.161 1.780
168 H HIS 27 H HIS 27 -0.162 9.469 0.622
169 HA HIS 27 HA HIS 27 0.131 7.492 2.635
170 HB2 HIS 27 1HB HIS 27 -2.439 8.566 1.455
171 HB3 HIS 27 2HB HIS 27 -2.246 7.779 3.019
172 HD1 HIS 27 HD1 HIS 27 -3.335 10.733 2.501
173 HD2 HIS 27 HD2 HIS 27 0.470 9.689 3.802
174 HE1 HIS 27 HE1 HIS 27 -2.456 12.761 3.701
175 H LEU 28 H LEU 28 -1.224 7.463 -0.623
176 HA LEU 28 HA LEU 28 -2.236 4.799 -0.450
177 HB2 LEU 28 1HB LEU 28 -3.266 6.221 -2.022
178 HB3 LEU 28 2HB LEU 28 -1.720 6.684 -2.731
179 HG LEU 28 HG LEU 28 -1.493 4.467 -3.717
180 HD11 LEU 28 1HD1 LEU 28 -4.269 3.705 -3.051
181 HD12 LEU 28 2HD1 LEU 28 -3.071 3.546 -1.767
182 HD13 LEU 28 3HD1 LEU 28 -2.840 2.700 -3.297
183 HD21 LEU 28 3HD2 LEU 28 -3.319 6.449 -4.456
184 HD22 LEU 28 1HD2 LEU 28 -4.166 4.918 -4.681
185 HD23 LEU 28 2HD2 LEU 28 -2.621 5.198 -5.485
186 H ALA 29 H ALA 29 0.766 6.260 -1.539
187 HA ALA 29 HA ALA 29 1.845 3.986 -2.822
188 HB1 ALA 29 3HB ALA 29 2.610 6.603 -2.516
189 HB2 ALA 29 1HB ALA 29 3.815 5.731 -1.569
190 HB3 ALA 29 2HB ALA 29 3.571 5.331 -3.270
191 H ARG 30 H ARG 30 2.323 5.280 0.462
192 HA ARG 30 HA ARG 30 4.050 3.240 1.343
193 HB2 ARG 30 1HB ARG 30 3.866 4.181 3.461
194 HB3 ARG 30 2HB ARG 30 3.499 5.540 2.408
195 HG2 ARG 30 1HG ARG 30 1.035 4.809 2.741
196 HG3 ARG 30 2HG ARG 30 1.668 3.948 4.145
197 HD2 ARG 30 1HD ARG 30 2.709 6.114 4.876
198 HD3 ARG 30 2HD ARG 30 1.811 6.902 3.580
199 HE ARG 30 HE ARG 30 -0.124 6.672 4.808
200 HH11 ARG 30 1HH1 ARG 30 2.438 4.822 6.269
201 HH12 ARG 30 2HH1 ARG 30 1.555 4.505 7.725
202 HH21 ARG 30 1HH2 ARG 30 -1.296 6.262 6.721
203 HH22 ARG 30 2HH2 ARG 30 -0.570 5.324 7.981
204 H HIS 31 H HIS 31 0.587 3.423 1.074
205 HA HIS 31 HA HIS 31 -0.037 1.273 2.822
206 HB2 HIS 31 1HB HIS 31 -1.860 2.651 2.384
207 HB3 HIS 31 2HB HIS 31 -1.511 2.733 0.659
208 HD1 HIS 31 HD1 HIS 31 -2.802 0.243 3.216
209 HD2 HIS 31 HD2 HIS 31 -2.975 1.019 -0.862
210 HE1 HIS 31 HE1 HIS 31 -4.456 -1.408 2.288
211 H ARG 32 H ARG 32 0.025 1.442 -0.743
212 HA ARG 32 HA ARG 32 -0.506 -1.109 -1.442
213 HB2 ARG 32 1HB ARG 32 1.654 0.677 -2.569
214 HB3 ARG 32 2HB ARG 32 1.126 -0.816 -3.334
215 HG2 ARG 32 1HG ARG 32 -1.166 0.125 -3.466
216 HG3 ARG 32 2HG ARG 32 -0.530 1.647 -2.839
217 HD2 ARG 32 1HD ARG 32 0.589 0.323 -5.295
218 HD3 ARG 32 2HD ARG 32 -0.773 1.440 -5.366
219 HE ARG 32 HE ARG 32 0.662 3.192 -4.924
220 HH11 ARG 32 1HH1 ARG 32 2.310 0.154 -4.508
221 HH12 ARG 32 2HH1 ARG 32 3.883 0.872 -4.406
222 HH21 ARG 32 1HH2 ARG 32 2.728 4.150 -4.791
223 HH22 ARG 32 2HH2 ARG 32 4.120 3.145 -4.566
224 H ARG 33 H ARG 33 2.349 0.009 0.200
225 HA ARG 33 HA ARG 33 4.201 -1.945 -0.243
226 HB2 ARG 33 1HB ARG 33 3.503 -0.705 2.425
227 HB3 ARG 33 2HB ARG 33 5.000 -1.554 2.062
228 HG2 ARG 33 1HG ARG 33 4.116 0.873 0.532
229 HG3 ARG 33 2HG ARG 33 5.076 0.974 2.009
230 HD2 ARG 33 1HD ARG 33 6.873 -0.231 1.020
231 HD3 ARG 33 2HD ARG 33 5.892 -0.665 -0.380
232 HE ARG 33 HE ARG 33 6.112 2.153 -0.122
233 HH11 ARG 33 1HH1 ARG 33 7.874 -0.678 -1.123
234 HH12 ARG 33 2HH1 ARG 33 8.877 0.182 -2.244
235 HH21 ARG 33 1HH2 ARG 33 7.426 3.297 -1.594
236 HH22 ARG 33 2HH2 ARG 33 8.622 2.443 -2.510
237 H VAL 34 H VAL 34 1.475 -2.104 2.026
238 HA VAL 34 HA VAL 34 1.930 -4.487 3.280
239 HB VAL 34 HB VAL 34 -0.465 -4.749 3.545
240 HG11 VAL 34 1HG1 VAL 34 -0.949 -2.168 4.036
241 HG12 VAL 34 2HG1 VAL 34 0.110 -3.150 5.049
242 HG13 VAL 34 3HG1 VAL 34 0.799 -2.087 3.821
243 HG21 VAL 34 3HG2 VAL 34 -2.003 -3.162 2.349
244 HG22 VAL 34 1HG2 VAL 34 -0.647 -2.752 1.298
245 HG23 VAL 34 2HG2 VAL 34 -1.270 -4.402 1.331
246 H HIS 35 H HIS 35 0.441 -4.034 0.088
247 HA HIS 35 HA HIS 35 -0.102 -6.738 -0.431
248 HB2 HIS 35 1HB HIS 35 0.425 -4.419 -2.294
249 HB3 HIS 35 2HB HIS 35 -0.080 -6.011 -2.853
250 HD1 HIS 35 HD1 HIS 35 -2.529 -6.686 -2.454
251 HD2 HIS 35 HD2 HIS 35 -1.570 -2.910 -1.013
252 HE1 HIS 35 HE1 HIS 35 -4.729 -5.592 -1.919
253 H THR 36 H THR 36 2.626 -4.738 -1.562
254 HA THR 36 HA THR 36 4.048 -7.050 -2.529
255 HB THR 36 HB THR 36 4.282 -4.934 -3.717
256 HG1 THR 36 HG1 THR 36 6.173 -6.528 -3.194
257 HG21 THR 36 3HG2 THR 36 4.031 -3.465 -1.723
258 HG22 THR 36 1HG2 THR 36 5.390 -3.021 -2.755
259 HG23 THR 36 2HG2 THR 36 5.674 -3.893 -1.248
260 H GLY 37 H GLY 37 3.580 -7.586 0.056
261 HA2 GLY 37 1HA GLY 37 5.985 -6.837 1.563
262 HA3 GLY 37 2HA GLY 37 4.540 -7.582 2.232
263 H GLY 38 H GLY 38 4.288 -9.685 0.330
264 HA2 GLY 38 1HA GLY 38 5.435 -11.622 -0.427
265 HA3 GLY 38 2HA GLY 38 6.791 -11.189 0.604
266 H LYS 39 H LYS 39 6.846 -11.879 2.711
267 HA LYS 39 HA LYS 39 5.056 -14.066 3.349
268 HB2 LYS 39 1HB LYS 39 6.577 -14.601 5.107
269 HB3 LYS 39 2HB LYS 39 7.545 -14.162 3.707
270 HG2 LYS 39 1HG LYS 39 7.607 -11.813 4.757
271 HG3 LYS 39 2HG LYS 39 7.085 -12.628 6.233
272 HD2 LYS 39 1HD LYS 39 9.407 -12.619 6.415
273 HD3 LYS 39 2HD LYS 39 9.056 -14.229 5.782
274 HE2 LYS 39 1HE LYS 39 10.832 -13.485 4.466
275 HE3 LYS 39 2HE LYS 39 9.411 -13.180 3.468
276 HZ1 LYS 39 3HZ LYS 39 10.246 -11.010 5.214
277 HZ2 LYS 39 1HZ LYS 39 9.665 -10.961 3.626
278 HZ3 LYS 39 2HZ LYS 39 11.281 -11.361 3.923
279 HA PRO 40 HA PRO 40 2.367 -11.848 6.027
280 HB2 PRO 40 1HB PRO 40 1.633 -13.844 7.715
281 HB3 PRO 40 2HB PRO 40 1.057 -13.735 6.048
282 HG2 PRO 40 1HG PRO 40 3.260 -15.412 7.185
283 HG3 PRO 40 2HG PRO 40 2.009 -15.857 6.011
284 HD2 PRO 40 1HD PRO 40 4.541 -15.240 5.277
285 HD3 PRO 40 2HD PRO 40 3.137 -14.885 4.251
286 H SER 41 H SER 41 3.956 -10.470 6.988
287 HA SER 41 HA SER 41 4.997 -11.406 9.578
288 HB2 SER 41 1HB SER 41 6.681 -9.657 9.402
289 HB3 SER 41 2HB SER 41 6.696 -10.635 7.934
290 HG SER 41 HG SER 41 5.243 -8.214 8.161
291 H GLY 42 H GLY 42 4.405 -10.422 11.431
292 HA2 GLY 42 1HA GLY 42 2.188 -8.577 11.327
293 HA3 GLY 42 2HA GLY 42 2.914 -9.260 12.775
294 HA PRO 43 HA PRO 43 5.063 -5.543 13.635
295 HB2 PRO 43 1HB PRO 43 7.562 -6.359 14.314
296 HB3 PRO 43 2HB PRO 43 6.150 -6.629 15.343
297 HG2 PRO 43 1HG PRO 43 7.506 -8.516 13.456
298 HG3 PRO 43 2HG PRO 43 6.893 -8.818 15.093
299 HD2 PRO 43 1HD PRO 43 5.528 -9.542 12.868
300 HD3 PRO 43 2HD PRO 43 4.717 -9.052 14.369
301 H SER 44 H SER 44 5.105 -4.494 11.633
302 HA SER 44 HA SER 44 7.591 -4.827 10.084
303 HB2 SER 44 1HB SER 44 6.417 -4.210 8.100
304 HB3 SER 44 2HB SER 44 5.412 -5.409 8.916
305 HG SER 44 HG SER 44 5.071 -2.601 9.148
306 H SER 45 H SER 45 8.754 -3.024 9.510
307 HA SER 45 HA SER 45 8.308 -0.677 11.135
308 HB2 SER 45 1HB SER 45 10.498 -1.503 9.231
309 HB3 SER 45 2HB SER 45 10.456 0.096 9.975
310 HG SER 45 HG SER 45 11.396 -2.135 11.011
311 H GLY 46 H GLY 46 7.266 1.096 10.518
312 HA2 GLY 46 1HA GLY 46 7.335 2.747 8.528
313 HA3 GLY 46 2HA GLY 46 6.608 1.399 7.667