NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504585 |
2eme   |
10182 | 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 8.482 -10.315 17.310
2 HA2 GLY 1 1HA GLY 1 9.018 -10.739 14.938
3 HA3 GLY 1 2HA GLY 1 8.931 -12.452 15.318
4 H SER 2 H SER 2 6.941 -9.503 15.445
5 HA SER 2 HA SER 2 4.501 -11.037 15.312
6 HB2 SER 2 1HB SER 2 5.205 -8.151 15.572
7 HB3 SER 2 2HB SER 2 3.609 -8.554 14.941
8 HG SER 2 HG SER 2 3.888 -8.328 17.324
9 H SER 3 H SER 3 2.916 -10.818 13.629
10 HA SER 3 HA SER 3 3.507 -9.603 11.133
11 HB2 SER 3 1HB SER 3 3.778 -11.654 9.786
12 HB3 SER 3 2HB SER 3 5.094 -11.461 10.945
13 HG SER 3 HG SER 3 2.870 -12.927 11.762
14 H GLY 4 H GLY 4 1.831 -9.983 9.529
15 HA2 GLY 4 1HA GLY 4 -0.275 -11.206 9.043
16 HA3 GLY 4 2HA GLY 4 -0.646 -11.036 10.752
17 H SER 5 H SER 5 -0.779 -9.580 7.655
18 HA SER 5 HA SER 5 -2.158 -7.262 8.830
19 HB2 SER 5 1HB SER 5 -0.246 -7.210 6.482
20 HB3 SER 5 2HB SER 5 -1.220 -5.843 7.024
21 HG SER 5 HG SER 5 0.061 -5.574 8.703
22 H SER 6 H SER 6 -3.444 -9.575 8.004
23 HA SER 6 HA SER 6 -4.355 -9.402 5.310
24 HB2 SER 6 1HB SER 6 -6.099 -11.039 6.081
25 HB3 SER 6 2HB SER 6 -4.443 -11.536 6.427
26 HG SER 6 HG SER 6 -5.850 -10.084 8.364
27 H GLY 7 H GLY 7 -5.773 -8.025 4.481
28 HA2 GLY 7 1HA GLY 7 -8.253 -7.363 5.503
29 HA3 GLY 7 2HA GLY 7 -7.154 -6.128 6.100
30 H SER 8 H SER 8 -5.455 -5.851 3.927
31 HA SER 8 HA SER 8 -7.058 -4.205 2.227
32 HB2 SER 8 1HB SER 8 -4.131 -4.928 2.259
33 HB3 SER 8 2HB SER 8 -4.828 -3.923 0.988
34 HG SER 8 HG SER 8 -3.933 -2.766 2.832
35 H GLY 9 H GLY 9 -8.136 -4.819 0.480
36 HA2 GLY 9 1HA GLY 9 -7.543 -7.424 -0.715
37 HA3 GLY 9 2HA GLY 9 -8.996 -6.471 -0.976
38 H GLU 10 H GLU 10 -7.929 -7.530 -3.160
39 HA GLU 10 HA GLU 10 -5.891 -6.099 -4.445
40 HB2 GLU 10 1HB GLU 10 -6.734 -7.077 -6.516
41 HB3 GLU 10 2HB GLU 10 -6.703 -8.276 -5.231
42 HG2 GLU 10 1HG GLU 10 -9.127 -7.883 -4.881
43 HG3 GLU 10 2HG GLU 10 -9.112 -6.814 -6.282
44 H LYS 11 H LYS 11 -5.828 -4.069 -5.115
45 HA LYS 11 HA LYS 11 -8.365 -2.662 -5.603
46 HB2 LYS 11 1HB LYS 11 -5.651 -1.455 -5.051
47 HB3 LYS 11 2HB LYS 11 -7.188 -0.603 -5.127
48 HG2 LYS 11 1HG LYS 11 -6.515 -2.716 -3.091
49 HG3 LYS 11 2HG LYS 11 -6.355 -0.978 -2.825
50 HD2 LYS 11 1HD LYS 11 -8.615 -0.647 -2.727
51 HD3 LYS 11 2HD LYS 11 -8.969 -2.002 -3.802
52 HE2 LYS 11 1HE LYS 11 -8.614 -3.581 -2.063
53 HE3 LYS 11 2HE LYS 11 -7.922 -2.355 -1.002
54 HZ1 LYS 11 3HZ LYS 11 -10.045 -1.317 -0.788
55 HZ2 LYS 11 1HZ LYS 11 -10.241 -2.964 -0.456
56 HZ3 LYS 11 2HZ LYS 11 -10.735 -2.337 -1.947
57 HA PRO 12 HA PRO 12 -7.469 -2.199 -9.877
58 HB2 PRO 12 1HB PRO 12 -8.627 0.204 -10.384
59 HB3 PRO 12 2HB PRO 12 -9.559 -1.269 -10.087
60 HG2 PRO 12 1HG PRO 12 -8.896 0.966 -8.208
61 HG3 PRO 12 2HG PRO 12 -10.432 0.106 -8.427
62 HD2 PRO 12 1HD PRO 12 -8.730 -0.446 -6.394
63 HD3 PRO 12 2HD PRO 12 -9.756 -1.685 -7.144
64 H TYR 13 H TYR 13 -6.444 0.239 -7.614
65 HA TYR 13 HA TYR 13 -4.557 1.328 -9.588
66 HB2 TYR 13 1HB TYR 13 -5.356 2.472 -6.904
67 HB3 TYR 13 2HB TYR 13 -4.329 3.249 -8.104
68 HD1 TYR 13 HD1 TYR 13 -5.308 4.057 -10.232
69 HD2 TYR 13 HD2 TYR 13 -7.737 2.508 -7.101
70 HE1 TYR 13 HE1 TYR 13 -7.288 5.087 -11.266
71 HE2 TYR 13 HE2 TYR 13 -9.724 3.532 -8.127
72 HH TYR 13 HH TYR 13 -10.527 4.525 -9.993
73 H VAL 14 H VAL 14 -3.142 -0.493 -9.401
74 HA VAL 14 HA VAL 14 -1.668 -0.624 -6.854
75 HB VAL 14 HB VAL 14 -2.620 -2.766 -7.427
76 HG11 VAL 14 1HG1 VAL 14 -2.988 -2.575 -9.764
77 HG12 VAL 14 2HG1 VAL 14 -1.267 -2.355 -10.085
78 HG13 VAL 14 3HG1 VAL 14 -1.870 -3.919 -9.535
79 HG21 VAL 14 3HG2 VAL 14 -0.227 -3.899 -8.052
80 HG22 VAL 14 1HG2 VAL 14 0.279 -2.329 -7.427
81 HG23 VAL 14 2HG2 VAL 14 -0.708 -3.399 -6.431
82 H CYS 15 H CYS 15 0.443 -0.124 -6.797
83 HA CYS 15 HA CYS 15 1.637 1.179 -9.030
84 HB2 CYS 15 1HB CYS 15 2.220 1.986 -6.870
85 HB3 CYS 15 2HB CYS 15 2.680 0.380 -6.315
86 H ASP 16 H ASP 16 3.571 0.591 -10.131
87 HA ASP 16 HA ASP 16 3.853 -2.315 -10.430
88 HB2 ASP 16 1HB ASP 16 3.300 -0.795 -12.414
89 HB3 ASP 16 2HB ASP 16 4.961 -0.221 -12.295
90 H TYR 17 H TYR 17 5.709 0.638 -9.902
91 HA TYR 17 HA TYR 17 8.288 -0.192 -10.074
92 HB2 TYR 17 1HB TYR 17 7.310 2.078 -9.290
93 HB3 TYR 17 2HB TYR 17 7.417 1.392 -7.672
94 HD1 TYR 17 HD2 TYR 17 9.875 0.052 -7.466
95 HD2 TYR 17 HD1 TYR 17 9.016 3.561 -9.715
96 HE1 TYR 17 HE2 TYR 17 12.243 0.705 -7.342
97 HE2 TYR 17 HE1 TYR 17 11.382 4.222 -9.598
98 HH TYR 17 HH TYR 17 13.786 2.360 -9.032
99 H CYS 18 H CYS 18 6.412 -0.364 -7.041
100 HA CYS 18 HA CYS 18 8.241 -2.460 -6.106
101 HB2 CYS 18 1HB CYS 18 7.313 -1.999 -3.867
102 HB3 CYS 18 2HB CYS 18 7.991 -0.552 -4.607
103 H GLY 19 H GLY 19 4.783 -1.727 -6.433
104 HA2 GLY 19 1HA GLY 19 3.357 -3.500 -7.334
105 HA3 GLY 19 2HA GLY 19 4.276 -4.636 -6.358
106 H LYS 20 H LYS 20 3.067 -1.486 -5.329
107 HA LYS 20 HA LYS 20 1.673 -2.783 -3.127
108 HB2 LYS 20 1HB LYS 20 3.178 -0.741 -2.866
109 HB3 LYS 20 2HB LYS 20 1.893 0.181 -3.638
110 HG2 LYS 20 1HG LYS 20 0.467 -0.045 -1.845
111 HG3 LYS 20 2HG LYS 20 1.270 -1.502 -1.255
112 HD2 LYS 20 1HD LYS 20 3.188 -0.183 -0.549
113 HD3 LYS 20 2HD LYS 20 2.442 1.280 -1.196
114 HE2 LYS 20 1HE LYS 20 0.920 1.420 0.505
115 HE3 LYS 20 2HE LYS 20 0.904 -0.322 0.780
116 HZ1 LYS 20 3HZ LYS 20 3.459 0.789 1.350
117 HZ2 LYS 20 1HZ LYS 20 2.437 -0.118 2.349
118 HZ3 LYS 20 2HZ LYS 20 2.254 1.561 2.253
119 H ALA 21 H ALA 21 -0.526 -2.413 -2.637
120 HA ALA 21 HA ALA 21 -2.153 -1.775 -5.002
121 HB1 ALA 21 3HB ALA 21 -3.796 -2.955 -3.073
122 HB2 ALA 21 1HB ALA 21 -3.165 -3.696 -4.544
123 HB3 ALA 21 2HB ALA 21 -2.283 -3.860 -3.025
124 H PHE 22 H PHE 22 -3.667 -0.196 -4.954
125 HA PHE 22 HA PHE 22 -4.257 1.112 -2.398
126 HB2 PHE 22 1HB PHE 22 -3.597 2.687 -4.888
127 HB3 PHE 22 2HB PHE 22 -3.841 3.304 -3.257
128 HD1 PHE 22 HD1 PHE 22 -1.537 1.537 -5.493
129 HD2 PHE 22 HD2 PHE 22 -2.097 3.198 -1.614
130 HE1 PHE 22 HE1 PHE 22 0.882 1.371 -5.076
131 HE2 PHE 22 HE2 PHE 22 0.321 3.036 -1.191
132 HZ PHE 22 HZ PHE 22 1.814 2.122 -2.924
133 H GLY 23 H GLY 23 -6.354 1.592 -2.144
134 HA2 GLY 23 1HA GLY 23 -8.244 0.773 -4.117
135 HA3 GLY 23 2HA GLY 23 -8.612 1.562 -2.590
136 H LEU 24 H LEU 24 -7.128 3.930 -2.969
137 HA LEU 24 HA LEU 24 -8.719 5.192 -5.100
138 HB2 LEU 24 1HB LEU 24 -9.087 5.852 -2.675
139 HB3 LEU 24 2HB LEU 24 -7.485 6.584 -2.738
140 HG LEU 24 HG LEU 24 -8.515 7.859 -4.802
141 HD11 LEU 24 1HD1 LEU 24 -10.952 8.406 -4.028
142 HD12 LEU 24 2HD1 LEU 24 -10.873 6.791 -3.325
143 HD13 LEU 24 3HD1 LEU 24 -10.632 7.011 -5.058
144 HD21 LEU 24 3HD2 LEU 24 -9.609 9.351 -2.774
145 HD22 LEU 24 1HD2 LEU 24 -7.924 9.395 -3.291
146 HD23 LEU 24 2HD2 LEU 24 -8.404 8.375 -1.934
147 H SER 25 H SER 25 -7.754 6.505 -6.590
148 HA SER 25 HA SER 25 -5.143 6.046 -7.360
149 HB2 SER 25 1HB SER 25 -5.376 8.011 -8.820
150 HB3 SER 25 2HB SER 25 -6.841 7.029 -8.844
151 HG SER 25 HG SER 25 -7.905 8.657 -8.061
152 H ALA 26 H ALA 26 -6.420 8.758 -5.458
153 HA ALA 26 HA ALA 26 -4.188 10.323 -5.192
154 HB1 ALA 26 3HB ALA 26 -6.561 10.614 -4.216
155 HB2 ALA 26 1HB ALA 26 -5.911 9.780 -2.804
156 HB3 ALA 26 2HB ALA 26 -5.192 11.299 -3.341
157 H GLU 27 H GLU 27 -5.017 7.441 -3.294
158 HA GLU 27 HA GLU 27 -2.820 7.558 -1.538
159 HB2 GLU 27 1HB GLU 27 -4.600 5.307 -2.446
160 HB3 GLU 27 2HB GLU 27 -3.278 5.039 -1.319
161 HG2 GLU 27 1HG GLU 27 -5.460 7.048 -0.845
162 HG3 GLU 27 2HG GLU 27 -5.542 5.376 -0.293
163 H LEU 28 H LEU 28 -3.222 6.167 -4.738
164 HA LEU 28 HA LEU 28 -0.766 4.732 -4.761
165 HB2 LEU 28 1HB LEU 28 -2.440 4.038 -6.275
166 HB3 LEU 28 2HB LEU 28 -2.636 5.667 -6.919
167 HG LEU 28 HG LEU 28 -0.441 5.504 -7.994
168 HD11 LEU 28 1HD1 LEU 28 0.869 4.100 -6.715
169 HD12 LEU 28 2HD1 LEU 28 0.478 3.078 -8.098
170 HD13 LEU 28 3HD1 LEU 28 -0.391 2.874 -6.577
171 HD21 LEU 28 3HD2 LEU 28 -1.046 3.891 -9.708
172 HD22 LEU 28 1HD2 LEU 28 -2.462 4.816 -9.206
173 HD23 LEU 28 2HD2 LEU 28 -2.238 3.164 -8.629
174 H VAL 29 H VAL 29 -1.754 7.895 -6.033
175 HA VAL 29 HA VAL 29 0.673 8.587 -7.245
176 HB VAL 29 HB VAL 29 -1.378 10.414 -5.986
177 HG11 VAL 29 1HG1 VAL 29 0.831 10.995 -7.955
178 HG12 VAL 29 2HG1 VAL 29 -0.447 12.126 -7.504
179 HG13 VAL 29 3HG1 VAL 29 0.716 11.580 -6.295
180 HG21 VAL 29 3HG2 VAL 29 -1.875 10.667 -8.562
181 HG22 VAL 29 1HG2 VAL 29 -1.175 9.049 -8.622
182 HG23 VAL 29 2HG2 VAL 29 -2.591 9.360 -7.619
183 H ARG 30 H ARG 30 -0.570 9.639 -4.067
184 HA ARG 30 HA ARG 30 1.672 10.980 -3.180
185 HB2 ARG 30 1HB ARG 30 0.789 10.808 -0.990
186 HB3 ARG 30 2HB ARG 30 -0.602 10.828 -2.066
187 HG2 ARG 30 1HG ARG 30 -0.653 8.333 -1.909
188 HG3 ARG 30 2HG ARG 30 0.591 8.452 -0.663
189 HD2 ARG 30 1HD ARG 30 -2.133 9.742 -0.553
190 HD3 ARG 30 2HD ARG 30 -1.667 8.265 0.290
191 HE ARG 30 HE ARG 30 0.150 9.989 1.207
192 HH11 ARG 30 1HH1 ARG 30 -3.301 10.277 0.848
193 HH12 ARG 30 2HH1 ARG 30 -3.482 11.361 2.187
194 HH21 ARG 30 1HH2 ARG 30 -0.075 11.416 2.973
195 HH22 ARG 30 2HH2 ARG 30 -1.646 12.009 3.394
196 H HIS 31 H HIS 31 1.052 7.538 -3.278
197 HA HIS 31 HA HIS 31 3.195 6.747 -1.593
198 HB2 HIS 31 1HB HIS 31 1.664 5.043 -1.832
199 HB3 HIS 31 2HB HIS 31 1.394 5.380 -3.540
200 HD1 HIS 31 HD1 HIS 31 3.795 3.625 -1.234
201 HD2 HIS 31 HD2 HIS 31 2.973 3.943 -5.294
202 HE1 HIS 31 HE1 HIS 31 5.183 1.845 -2.342
203 H GLN 32 H GLN 32 2.859 6.743 -5.143
204 HA GLN 32 HA GLN 32 5.254 5.817 -5.962
205 HB2 GLN 32 1HB GLN 32 3.727 8.193 -7.019
206 HB3 GLN 32 2HB GLN 32 5.129 7.519 -7.840
207 HG2 GLN 32 1HG GLN 32 3.923 5.325 -7.898
208 HG3 GLN 32 2HG GLN 32 2.496 6.174 -7.305
209 HE21 GLN 32 1HE2 GLN 32 2.046 4.981 -9.543
210 HE22 GLN 32 2HE2 GLN 32 2.077 6.046 -10.903
211 H ARG 33 H ARG 33 4.707 8.762 -4.229
212 HA ARG 33 HA ARG 33 6.881 10.316 -4.809
213 HB2 ARG 33 1HB ARG 33 5.565 9.767 -2.150
214 HB3 ARG 33 2HB ARG 33 6.814 10.987 -2.358
215 HG2 ARG 33 1HG ARG 33 5.317 11.962 -4.180
216 HG3 ARG 33 2HG ARG 33 4.052 10.924 -3.518
217 HD2 ARG 33 1HD ARG 33 4.499 11.967 -1.282
218 HD3 ARG 33 2HD ARG 33 5.564 13.109 -2.099
219 HE ARG 33 HE ARG 33 3.197 13.287 -3.449
220 HH11 ARG 33 1HH1 ARG 33 4.179 13.645 -0.129
221 HH12 ARG 33 2HH1 ARG 33 2.946 14.801 0.248
222 HH21 ARG 33 1HH2 ARG 33 1.568 14.809 -2.966
223 HH22 ARG 33 2HH2 ARG 33 1.461 15.462 -1.366
224 H ILE 34 H ILE 34 6.780 7.594 -2.524
225 HA ILE 34 HA ILE 34 9.338 7.695 -1.521
226 HB ILE 34 HB ILE 34 9.188 5.340 -1.065
227 HG12 ILE 34 1HG1 ILE 34 6.748 5.155 -2.823
228 HG13 ILE 34 2HG1 ILE 34 8.361 4.820 -3.443
229 HG21 ILE 34 1HG2 ILE 34 6.494 5.441 -0.514
230 HG22 ILE 34 2HG2 ILE 34 7.785 6.068 0.509
231 HG23 ILE 34 3HG2 ILE 34 6.950 7.142 -0.613
232 HD11 ILE 34 3HD1 ILE 34 8.607 2.930 -2.121
233 HD12 ILE 34 1HD1 ILE 34 7.322 3.417 -1.016
234 HD13 ILE 34 2HD1 ILE 34 6.924 2.861 -2.642
235 H HIS 35 H HIS 35 8.285 6.685 -4.687
236 HA HIS 35 HA HIS 35 10.821 5.502 -5.394
237 HB2 HIS 35 1HB HIS 35 8.455 6.224 -7.136
238 HB3 HIS 35 2HB HIS 35 9.833 5.243 -7.628
239 HD1 HIS 35 HD1 HIS 35 10.087 3.264 -5.386
240 HD2 HIS 35 HD2 HIS 35 6.412 4.472 -6.902
241 HE1 HIS 35 HE1 HIS 35 8.478 1.424 -4.794
242 H THR 36 H THR 36 9.265 8.600 -5.662
243 HA THR 36 HA THR 36 11.537 9.601 -7.248
244 HB THR 36 HB THR 36 10.056 11.544 -7.796
245 HG1 THR 36 HG1 THR 36 8.594 10.798 -5.893
246 HG21 THR 36 3HG2 THR 36 8.506 9.207 -8.720
247 HG22 THR 36 1HG2 THR 36 10.241 9.153 -9.029
248 HG23 THR 36 2HG2 THR 36 9.277 10.495 -9.646
249 H GLY 37 H GLY 37 12.984 10.125 -5.652
250 HA2 GLY 37 1HA GLY 37 12.048 12.018 -3.589
251 HA3 GLY 37 2HA GLY 37 13.425 10.943 -3.401
252 H GLU 38 H GLU 38 12.407 14.043 -4.265
253 HA GLU 38 HA GLU 38 15.149 14.794 -4.893
254 HB2 GLU 38 1HB GLU 38 12.872 14.955 -6.799
255 HB3 GLU 38 2HB GLU 38 13.987 16.314 -6.758
256 HG2 GLU 38 1HG GLU 38 14.853 13.460 -7.135
257 HG3 GLU 38 2HG GLU 38 14.501 14.565 -8.463
258 H LYS 39 H LYS 39 15.666 16.877 -4.312
259 HA LYS 39 HA LYS 39 15.537 18.749 -3.015
260 HB2 LYS 39 1HB LYS 39 12.927 18.898 -4.524
261 HB3 LYS 39 2HB LYS 39 13.521 20.201 -3.503
262 HG2 LYS 39 1HG LYS 39 15.202 20.758 -4.950
263 HG3 LYS 39 2HG LYS 39 15.309 19.131 -5.625
264 HD2 LYS 39 1HD LYS 39 14.316 20.273 -7.361
265 HD3 LYS 39 2HD LYS 39 12.901 19.660 -6.503
266 HE2 LYS 39 1HE LYS 39 12.681 21.809 -5.347
267 HE3 LYS 39 2HE LYS 39 14.091 22.417 -6.212
268 HZ1 LYS 39 3HZ LYS 39 11.860 23.048 -7.147
269 HZ2 LYS 39 1HZ LYS 39 11.672 21.430 -7.607
270 HZ3 LYS 39 2HZ LYS 39 12.940 22.350 -8.246
271 HA PRO 40 HA PRO 40 12.639 16.543 -0.001
272 HB2 PRO 40 1HB PRO 40 14.565 15.579 1.651
273 HB3 PRO 40 2HB PRO 40 13.957 14.679 0.257
274 HG2 PRO 40 1HG PRO 40 16.450 16.316 0.514
275 HG3 PRO 40 2HG PRO 40 16.225 14.733 -0.254
276 HD2 PRO 40 1HD PRO 40 16.348 17.036 -1.673
277 HD3 PRO 40 2HD PRO 40 15.362 15.652 -2.184
278 H SER 41 H SER 41 11.974 18.592 0.689
279 HA SER 41 HA SER 41 13.751 20.220 2.297
280 HB2 SER 41 1HB SER 41 11.750 21.729 2.468
281 HB3 SER 41 2HB SER 41 12.261 21.397 0.813
282 HG SER 41 HG SER 41 9.884 21.145 1.631
283 H GLY 42 H GLY 42 14.149 18.882 4.090
284 HA2 GLY 42 1HA GLY 42 13.409 19.042 6.456
285 HA3 GLY 42 2HA GLY 42 11.823 18.548 5.883
286 HA PRO 43 HA PRO 43 14.820 14.901 6.870
287 HB2 PRO 43 1HB PRO 43 14.400 14.558 9.530
288 HB3 PRO 43 2HB PRO 43 15.706 15.560 8.885
289 HG2 PRO 43 1HG PRO 43 13.029 16.387 9.940
290 HG3 PRO 43 2HG PRO 43 14.618 17.123 10.219
291 HD2 PRO 43 1HD PRO 43 12.840 18.127 8.441
292 HD3 PRO 43 2HD PRO 43 14.596 18.239 8.203
293 H SER 44 H SER 44 13.145 13.909 5.609
294 HA SER 44 HA SER 44 11.403 12.238 7.208
295 HB2 SER 44 1HB SER 44 10.226 13.998 5.043
296 HB3 SER 44 2HB SER 44 9.355 12.827 6.034
297 HG SER 44 HG SER 44 9.396 14.169 7.689
298 H SER 45 H SER 45 12.143 10.339 6.487
299 HA SER 45 HA SER 45 11.503 9.421 3.897
300 HB2 SER 45 1HB SER 45 13.718 9.119 2.945
301 HB3 SER 45 2HB SER 45 13.469 10.828 3.301
302 HG SER 45 HG SER 45 15.530 9.690 3.990
303 H GLY 46 H GLY 46 10.995 7.373 4.268
304 HA2 GLY 46 1HA GLY 46 12.836 5.567 5.532
305 HA3 GLY 46 2HA GLY 46 11.441 5.922 6.540
Start of MODEL 2
1 H1 GLY 1 H GLY 1 8.409 -13.635 6.264
2 HA2 GLY 1 1HA GLY 1 7.713 -12.101 3.936
3 HA3 GLY 1 2HA GLY 1 8.756 -13.465 3.561
4 H SER 2 H SER 2 5.649 -12.528 3.580
5 HA SER 2 HA SER 2 4.677 -15.265 4.081
6 HB2 SER 2 1HB SER 2 2.529 -14.305 4.775
7 HB3 SER 2 2HB SER 2 3.839 -13.686 5.781
8 HG SER 2 HG SER 2 3.594 -11.743 4.937
9 H SER 3 H SER 3 4.386 -16.168 2.147
10 HA SER 3 HA SER 3 3.189 -14.550 0.001
11 HB2 SER 3 1HB SER 3 4.061 -16.378 -1.509
12 HB3 SER 3 2HB SER 3 5.307 -15.443 -0.683
13 HG SER 3 HG SER 3 4.491 -18.089 -0.274
14 H GLY 4 H GLY 4 1.022 -14.765 0.437
15 HA2 GLY 4 1HA GLY 4 -0.037 -17.521 0.288
16 HA3 GLY 4 2HA GLY 4 -0.750 -16.288 1.317
17 H SER 5 H SER 5 -2.275 -17.666 -0.521
18 HA SER 5 HA SER 5 -2.538 -16.532 -3.049
19 HB2 SER 5 1HB SER 5 -4.716 -17.520 -3.129
20 HB3 SER 5 2HB SER 5 -3.704 -18.601 -2.173
21 HG SER 5 HG SER 5 -5.116 -18.358 -0.651
22 H SER 6 H SER 6 -3.028 -14.546 -3.672
23 HA SER 6 HA SER 6 -3.555 -12.395 -2.075
24 HB2 SER 6 1HB SER 6 -4.339 -12.909 -4.943
25 HB3 SER 6 2HB SER 6 -4.609 -11.354 -4.158
26 HG SER 6 HG SER 6 -2.551 -11.707 -5.369
27 H GLY 7 H GLY 7 -5.942 -14.498 -3.650
28 HA2 GLY 7 1HA GLY 7 -8.215 -14.701 -3.353
29 HA3 GLY 7 2HA GLY 7 -7.829 -14.477 -1.654
30 H SER 8 H SER 8 -9.820 -13.397 -1.340
31 HA SER 8 HA SER 8 -10.762 -11.216 -2.774
32 HB2 SER 8 1HB SER 8 -11.888 -12.541 -0.864
33 HB3 SER 8 2HB SER 8 -11.071 -11.412 0.216
34 HG SER 8 HG SER 8 -13.328 -11.049 -1.121
35 H GLY 9 H GLY 9 -9.348 -9.637 -3.337
36 HA2 GLY 9 1HA GLY 9 -8.816 -7.506 -1.686
37 HA3 GLY 9 2HA GLY 9 -7.415 -8.556 -1.524
38 H GLU 10 H GLU 10 -9.474 -7.248 -4.129
39 HA GLU 10 HA GLU 10 -7.019 -6.803 -5.695
40 HB2 GLU 10 1HB GLU 10 -9.863 -7.282 -6.588
41 HB3 GLU 10 2HB GLU 10 -8.583 -6.762 -7.675
42 HG2 GLU 10 1HG GLU 10 -7.311 -8.820 -6.955
43 HG3 GLU 10 2HG GLU 10 -8.801 -9.356 -6.181
44 H LYS 11 H LYS 11 -6.663 -4.831 -6.673
45 HA LYS 11 HA LYS 11 -8.613 -2.694 -6.248
46 HB2 LYS 11 1HB LYS 11 -5.761 -2.653 -5.261
47 HB3 LYS 11 2HB LYS 11 -6.726 -1.197 -5.462
48 HG2 LYS 11 1HG LYS 11 -8.211 -1.809 -3.758
49 HG3 LYS 11 2HG LYS 11 -7.658 -3.486 -3.763
50 HD2 LYS 11 1HD LYS 11 -5.470 -2.747 -2.914
51 HD3 LYS 11 2HD LYS 11 -6.059 -1.083 -2.876
52 HE2 LYS 11 1HE LYS 11 -7.359 -3.344 -1.369
53 HE3 LYS 11 2HE LYS 11 -6.114 -2.306 -0.676
54 HZ1 LYS 11 3HZ LYS 11 -7.636 -0.778 -0.239
55 HZ2 LYS 11 1HZ LYS 11 -8.843 -1.828 -0.792
56 HZ3 LYS 11 2HZ LYS 11 -8.131 -0.724 -1.856
57 HA PRO 12 HA PRO 12 -7.409 -1.582 -10.334
58 HB2 PRO 12 1HB PRO 12 -8.248 0.999 -10.345
59 HB3 PRO 12 2HB PRO 12 -9.360 -0.373 -10.419
60 HG2 PRO 12 1HG PRO 12 -8.577 1.306 -8.068
61 HG3 PRO 12 2HG PRO 12 -10.181 0.714 -8.534
62 HD2 PRO 12 1HD PRO 12 -8.696 -0.470 -6.605
63 HD3 PRO 12 2HD PRO 12 -9.804 -1.382 -7.651
64 H TYR 13 H TYR 13 -6.524 0.611 -7.691
65 HA TYR 13 HA TYR 13 -4.309 1.683 -9.253
66 HB2 TYR 13 1HB TYR 13 -4.981 2.389 -6.402
67 HB3 TYR 13 2HB TYR 13 -4.093 3.347 -7.582
68 HD1 TYR 13 HD1 TYR 13 -5.291 4.507 -9.394
69 HD2 TYR 13 HD2 TYR 13 -7.381 2.395 -6.349
70 HE1 TYR 13 HE1 TYR 13 -7.367 5.669 -10.020
71 HE2 TYR 13 HE2 TYR 13 -9.462 3.550 -6.967
72 HH TYR 13 HH TYR 13 -10.454 4.860 -8.507
73 H VAL 14 H VAL 14 -2.624 0.324 -9.355
74 HA VAL 14 HA VAL 14 -1.461 -0.582 -6.815
75 HB VAL 14 HB VAL 14 -2.558 -2.541 -7.662
76 HG11 VAL 14 1HG1 VAL 14 -2.098 -3.441 -9.896
77 HG12 VAL 14 2HG1 VAL 14 -2.846 -1.845 -9.977
78 HG13 VAL 14 3HG1 VAL 14 -1.113 -2.024 -10.259
79 HG21 VAL 14 3HG2 VAL 14 -0.476 -3.066 -6.681
80 HG22 VAL 14 1HG2 VAL 14 -0.543 -3.994 -8.179
81 HG23 VAL 14 2HG2 VAL 14 0.418 -2.517 -8.099
82 H CYS 15 H CYS 15 0.563 0.093 -6.638
83 HA CYS 15 HA CYS 15 1.946 1.349 -8.772
84 HB2 CYS 15 1HB CYS 15 2.395 2.121 -6.563
85 HB3 CYS 15 2HB CYS 15 2.793 0.500 -6.004
86 H ASP 16 H ASP 16 3.454 0.609 -10.154
87 HA ASP 16 HA ASP 16 3.895 -2.264 -10.245
88 HB2 ASP 16 1HB ASP 16 4.913 -0.200 -12.199
89 HB3 ASP 16 2HB ASP 16 4.698 -1.928 -12.468
90 H TYR 17 H TYR 17 5.638 0.674 -9.555
91 HA TYR 17 HA TYR 17 8.262 -0.060 -9.860
92 HB2 TYR 17 1HB TYR 17 7.166 2.138 -8.935
93 HB3 TYR 17 2HB TYR 17 7.452 1.391 -7.367
94 HD1 TYR 17 HD2 TYR 17 9.942 0.365 -7.158
95 HD2 TYR 17 HD1 TYR 17 8.790 3.576 -9.702
96 HE1 TYR 17 HE2 TYR 17 12.269 1.159 -7.200
97 HE2 TYR 17 HE1 TYR 17 11.115 4.378 -9.751
98 HH TYR 17 HH TYR 17 13.730 2.510 -8.503
99 H CYS 18 H CYS 18 6.250 -0.603 -6.972
100 HA CYS 18 HA CYS 18 8.198 -2.635 -6.102
101 HB2 CYS 18 1HB CYS 18 7.319 -2.274 -3.819
102 HB3 CYS 18 2HB CYS 18 8.007 -0.808 -4.508
103 H GLY 19 H GLY 19 4.725 -1.882 -6.220
104 HA2 GLY 19 1HA GLY 19 3.296 -3.644 -7.202
105 HA3 GLY 19 2HA GLY 19 4.214 -4.794 -6.241
106 H LYS 20 H LYS 20 2.889 -1.646 -5.293
107 HA LYS 20 HA LYS 20 1.478 -2.990 -3.102
108 HB2 LYS 20 1HB LYS 20 2.610 -0.269 -3.508
109 HB3 LYS 20 2HB LYS 20 1.186 -0.406 -2.485
110 HG2 LYS 20 1HG LYS 20 2.294 -1.768 -0.932
111 HG3 LYS 20 2HG LYS 20 3.616 -2.110 -2.051
112 HD2 LYS 20 1HD LYS 20 4.109 0.392 -1.965
113 HD3 LYS 20 2HD LYS 20 3.026 0.442 -0.572
114 HE2 LYS 20 1HE LYS 20 4.435 -1.305 0.503
115 HE3 LYS 20 2HE LYS 20 5.556 -1.177 -0.852
116 HZ1 LYS 20 3HZ LYS 20 5.622 1.292 -0.246
117 HZ2 LYS 20 1HZ LYS 20 6.454 0.211 0.755
118 HZ3 LYS 20 2HZ LYS 20 4.951 0.822 1.234
119 H ALA 21 H ALA 21 -0.700 -2.912 -2.864
120 HA ALA 21 HA ALA 21 -2.229 -1.906 -5.136
121 HB1 ALA 21 3HB ALA 21 -3.522 -3.350 -2.881
122 HB2 ALA 21 1HB ALA 21 -3.852 -3.426 -4.612
123 HB3 ALA 21 2HB ALA 21 -2.440 -4.248 -3.946
124 H PHE 22 H PHE 22 -4.057 -0.557 -4.899
125 HA PHE 22 HA PHE 22 -4.518 0.725 -2.335
126 HB2 PHE 22 1HB PHE 22 -3.695 2.340 -4.757
127 HB3 PHE 22 2HB PHE 22 -4.174 2.988 -3.192
128 HD1 PHE 22 HD2 PHE 22 -2.713 2.672 -1.226
129 HD2 PHE 22 HD1 PHE 22 -1.503 1.526 -5.143
130 HE1 PHE 22 HE2 PHE 22 -0.373 2.583 -0.473
131 HE2 PHE 22 HE1 PHE 22 0.839 1.435 -4.396
132 HZ PHE 22 HZ PHE 22 1.407 1.964 -2.058
133 H GLY 23 H GLY 23 -6.622 1.131 -2.067
134 HA2 GLY 23 1HA GLY 23 -8.442 0.600 -4.244
135 HA3 GLY 23 2HA GLY 23 -8.878 0.967 -2.582
136 H LEU 24 H LEU 24 -6.685 3.214 -3.778
137 HA LEU 24 HA LEU 24 -8.752 4.977 -4.855
138 HB2 LEU 24 1HB LEU 24 -7.184 5.414 -2.360
139 HB3 LEU 24 2HB LEU 24 -7.575 6.802 -3.373
140 HG LEU 24 HG LEU 24 -10.021 5.816 -3.161
141 HD11 LEU 24 1HD1 LEU 24 -8.692 4.877 -0.623
142 HD12 LEU 24 2HD1 LEU 24 -9.321 3.836 -1.899
143 HD13 LEU 24 3HD1 LEU 24 -10.422 4.852 -0.969
144 HD21 LEU 24 3HD2 LEU 24 -10.444 7.415 -1.469
145 HD22 LEU 24 1HD2 LEU 24 -9.097 8.045 -2.418
146 HD23 LEU 24 2HD2 LEU 24 -8.797 7.301 -0.847
147 H SER 25 H SER 25 -7.878 6.861 -5.952
148 HA SER 25 HA SER 25 -5.497 6.197 -7.418
149 HB2 SER 25 1HB SER 25 -7.511 7.264 -8.458
150 HB3 SER 25 2HB SER 25 -7.139 8.736 -7.561
151 HG SER 25 HG SER 25 -5.469 7.461 -9.472
152 H ALA 26 H ALA 26 -6.462 8.876 -5.282
153 HA ALA 26 HA ALA 26 -4.072 10.295 -5.309
154 HB1 ALA 26 3HB ALA 26 -5.115 10.531 -2.711
155 HB2 ALA 26 1HB ALA 26 -5.352 11.621 -4.077
156 HB3 ALA 26 2HB ALA 26 -6.495 10.309 -3.786
157 H GLU 27 H GLU 27 -5.050 7.539 -3.328
158 HA GLU 27 HA GLU 27 -2.960 7.522 -1.496
159 HB2 GLU 27 1HB GLU 27 -4.785 5.454 -2.615
160 HB3 GLU 27 2HB GLU 27 -3.374 4.898 -1.726
161 HG2 GLU 27 1HG GLU 27 -5.287 6.914 -0.598
162 HG3 GLU 27 2HG GLU 27 -5.527 5.177 -0.422
163 H LEU 28 H LEU 28 -3.160 5.821 -4.619
164 HA LEU 28 HA LEU 28 -0.593 4.704 -4.552
165 HB2 LEU 28 1HB LEU 28 -2.215 3.890 -6.103
166 HB3 LEU 28 2HB LEU 28 -2.368 5.476 -6.857
167 HG LEU 28 HG LEU 28 0.016 5.223 -7.623
168 HD11 LEU 28 1HD1 LEU 28 0.880 2.903 -7.713
169 HD12 LEU 28 2HD1 LEU 28 -0.429 2.410 -6.639
170 HD13 LEU 28 3HD1 LEU 28 0.788 3.555 -6.077
171 HD21 LEU 28 3HD2 LEU 28 -2.382 3.957 -8.603
172 HD22 LEU 28 1HD2 LEU 28 -0.945 3.055 -9.087
173 HD23 LEU 28 2HD2 LEU 28 -1.091 4.765 -9.495
174 H VAL 29 H VAL 29 -1.734 7.683 -6.137
175 HA VAL 29 HA VAL 29 0.629 8.550 -7.254
176 HB VAL 29 HB VAL 29 -1.576 10.191 -6.006
177 HG11 VAL 29 1HG1 VAL 29 0.874 11.013 -7.517
178 HG12 VAL 29 2HG1 VAL 29 -0.604 11.972 -7.608
179 HG13 VAL 29 3HG1 VAL 29 0.182 11.707 -6.051
180 HG21 VAL 29 3HG2 VAL 29 -1.801 10.561 -8.654
181 HG22 VAL 29 1HG2 VAL 29 -1.120 8.934 -8.640
182 HG23 VAL 29 2HG2 VAL 29 -2.627 9.267 -7.786
183 H ARG 30 H ARG 30 -0.623 9.565 -4.067
184 HA ARG 30 HA ARG 30 1.561 11.009 -3.210
185 HB2 ARG 30 1HB ARG 30 -0.515 9.411 -1.752
186 HB3 ARG 30 2HB ARG 30 0.799 10.165 -0.861
187 HG2 ARG 30 1HG ARG 30 0.089 12.319 -2.100
188 HG3 ARG 30 2HG ARG 30 -1.416 11.447 -2.399
189 HD2 ARG 30 1HD ARG 30 -1.957 12.449 -0.426
190 HD3 ARG 30 2HD ARG 30 -1.226 10.971 0.197
191 HE ARG 30 HE ARG 30 0.586 13.202 -0.140
192 HH11 ARG 30 1HH1 ARG 30 -1.543 11.470 2.003
193 HH12 ARG 30 2HH1 ARG 30 -0.794 12.072 3.445
194 HH21 ARG 30 1HH2 ARG 30 1.580 14.002 1.751
195 HH22 ARG 30 2HH2 ARG 30 0.981 13.513 3.300
196 H HIS 31 H HIS 31 1.039 7.524 -3.087
197 HA HIS 31 HA HIS 31 3.310 6.899 -1.521
198 HB2 HIS 31 1HB HIS 31 1.821 5.140 -1.586
199 HB3 HIS 31 2HB HIS 31 1.462 5.366 -3.295
200 HD1 HIS 31 HD1 HIS 31 3.947 3.757 -0.992
201 HD2 HIS 31 HD2 HIS 31 3.089 3.952 -5.053
202 HE1 HIS 31 HE1 HIS 31 5.365 1.979 -2.065
203 H GLN 32 H GLN 32 2.776 6.780 -5.041
204 HA GLN 32 HA GLN 32 5.111 5.848 -5.993
205 HB2 GLN 32 1HB GLN 32 3.451 8.162 -6.953
206 HB3 GLN 32 2HB GLN 32 4.887 7.650 -7.829
207 HG2 GLN 32 1HG GLN 32 3.789 5.307 -7.763
208 HG3 GLN 32 2HG GLN 32 2.310 6.202 -7.416
209 HE21 GLN 32 1HE2 GLN 32 2.184 4.802 -9.605
210 HE22 GLN 32 2HE2 GLN 32 2.366 5.768 -11.025
211 H ARG 33 H ARG 33 4.684 8.816 -4.260
212 HA ARG 33 HA ARG 33 6.863 10.320 -4.984
213 HB2 ARG 33 1HB ARG 33 5.502 9.908 -2.339
214 HB3 ARG 33 2HB ARG 33 6.901 10.965 -2.469
215 HG2 ARG 33 1HG ARG 33 5.665 12.210 -4.266
216 HG3 ARG 33 2HG ARG 33 4.244 11.254 -3.841
217 HD2 ARG 33 1HD ARG 33 3.992 12.281 -1.807
218 HD3 ARG 33 2HD ARG 33 5.707 12.666 -1.669
219 HE ARG 33 HE ARG 33 5.242 14.688 -2.599
220 HH11 ARG 33 1HH1 ARG 33 2.773 12.440 -3.583
221 HH12 ARG 33 2HH1 ARG 33 1.849 13.628 -4.441
222 HH21 ARG 33 1HH2 ARG 33 4.035 16.262 -3.726
223 HH22 ARG 33 2HH2 ARG 33 2.569 15.802 -4.523
224 H ILE 34 H ILE 34 6.777 7.633 -2.668
225 HA ILE 34 HA ILE 34 9.363 7.722 -1.717
226 HB ILE 34 HB ILE 34 9.184 5.382 -1.204
227 HG12 ILE 34 1HG1 ILE 34 6.686 5.171 -2.867
228 HG13 ILE 34 2HG1 ILE 34 8.269 4.856 -3.568
229 HG21 ILE 34 1HG2 ILE 34 6.546 5.490 -0.542
230 HG22 ILE 34 2HG2 ILE 34 7.847 6.246 0.375
231 HG23 ILE 34 3HG2 ILE 34 6.922 7.196 -0.787
232 HD11 ILE 34 3HD1 ILE 34 7.032 2.838 -2.790
233 HD12 ILE 34 1HD1 ILE 34 8.641 3.031 -2.096
234 HD13 ILE 34 2HD1 ILE 34 7.214 3.435 -1.141
235 H HIS 35 H HIS 35 8.218 6.715 -4.844
236 HA HIS 35 HA HIS 35 10.809 5.590 -5.570
237 HB2 HIS 35 1HB HIS 35 8.299 5.865 -7.237
238 HB3 HIS 35 2HB HIS 35 9.735 4.936 -7.659
239 HD1 HIS 35 HD1 HIS 35 10.285 3.119 -5.486
240 HD2 HIS 35 HD2 HIS 35 6.373 4.199 -6.373
241 HE1 HIS 35 HE1 HIS 35 8.847 1.306 -4.501
242 H THR 36 H THR 36 10.331 8.495 -5.012
243 HA THR 36 HA THR 36 11.762 9.498 -7.324
244 HB THR 36 HB THR 36 10.142 11.558 -7.296
245 HG1 THR 36 HG1 THR 36 8.255 9.538 -6.683
246 HG21 THR 36 3HG2 THR 36 10.444 9.335 -8.934
247 HG22 THR 36 1HG2 THR 36 9.599 10.829 -9.338
248 HG23 THR 36 2HG2 THR 36 8.702 9.457 -8.684
249 H GLY 37 H GLY 37 13.418 10.612 -6.538
250 HA2 GLY 37 1HA GLY 37 14.134 12.631 -5.372
251 HA3 GLY 37 2HA GLY 37 12.981 12.231 -4.107
252 H GLU 38 H GLU 38 13.767 11.291 -2.345
253 HA GLU 38 HA GLU 38 16.391 9.964 -2.543
254 HB2 GLU 38 1HB GLU 38 16.036 12.166 -1.152
255 HB3 GLU 38 2HB GLU 38 15.351 11.066 0.037
256 HG2 GLU 38 1HG GLU 38 17.467 9.764 -0.041
257 HG3 GLU 38 2HG GLU 38 18.139 11.011 -1.090
258 H LYS 39 H LYS 39 16.621 7.943 -1.749
259 HA LYS 39 HA LYS 39 14.309 6.751 -0.366
260 HB2 LYS 39 1HB LYS 39 15.960 5.670 -2.632
261 HB3 LYS 39 2HB LYS 39 15.109 4.584 -1.541
262 HG2 LYS 39 1HG LYS 39 12.993 5.686 -2.115
263 HG3 LYS 39 2HG LYS 39 13.860 6.734 -3.240
264 HD2 LYS 39 1HD LYS 39 12.943 4.993 -4.549
265 HD3 LYS 39 2HD LYS 39 14.660 4.618 -4.382
266 HE2 LYS 39 1HE LYS 39 14.151 3.034 -2.602
267 HE3 LYS 39 2HE LYS 39 12.438 3.436 -2.715
268 HZ1 LYS 39 3HZ LYS 39 14.112 1.910 -4.592
269 HZ2 LYS 39 1HZ LYS 39 12.749 2.728 -5.170
270 HZ3 LYS 39 2HZ LYS 39 12.579 1.540 -3.979
271 HA PRO 40 HA PRO 40 18.033 6.260 2.309
272 HB2 PRO 40 1HB PRO 40 16.685 6.671 4.629
273 HB3 PRO 40 2HB PRO 40 17.329 7.991 3.645
274 HG2 PRO 40 1HG PRO 40 14.537 6.921 3.784
275 HG3 PRO 40 2HG PRO 40 15.088 8.606 3.731
276 HD2 PRO 40 1HD PRO 40 14.146 7.311 1.547
277 HD3 PRO 40 2HD PRO 40 15.401 8.562 1.447
278 H SER 41 H SER 41 14.888 4.801 2.181
279 HA SER 41 HA SER 41 14.961 2.883 4.139
280 HB2 SER 41 1HB SER 41 13.569 1.482 2.612
281 HB3 SER 41 2HB SER 41 13.019 3.155 2.712
282 HG SER 41 HG SER 41 14.475 3.393 0.755
283 H GLY 42 H GLY 42 15.535 0.623 4.120
284 HA2 GLY 42 1HA GLY 42 17.940 0.117 2.482
285 HA3 GLY 42 2HA GLY 42 17.708 -0.500 4.111
286 HA PRO 43 HA PRO 43 16.309 -4.268 2.338
287 HB2 PRO 43 1HB PRO 43 14.914 -5.254 4.448
288 HB3 PRO 43 2HB PRO 43 16.680 -5.206 4.402
289 HG2 PRO 43 1HG PRO 43 14.768 -3.333 5.743
290 HG3 PRO 43 2HG PRO 43 16.292 -4.003 6.354
291 HD2 PRO 43 1HD PRO 43 16.101 -1.495 5.350
292 HD3 PRO 43 2HD PRO 43 17.573 -2.476 5.195
293 H SER 44 H SER 44 14.048 -1.991 3.735
294 HA SER 44 HA SER 44 11.590 -2.979 3.353
295 HB2 SER 44 1HB SER 44 11.859 -0.690 4.039
296 HB3 SER 44 2HB SER 44 12.583 -0.255 2.491
297 HG SER 44 HG SER 44 10.654 -0.256 1.565
298 H SER 45 H SER 45 13.681 -1.808 0.743
299 HA SER 45 HA SER 45 12.117 -1.856 -1.444
300 HB2 SER 45 1HB SER 45 14.054 -2.608 -2.754
301 HB3 SER 45 2HB SER 45 14.545 -1.446 -1.521
302 HG SER 45 HG SER 45 15.028 -3.393 -0.216
303 H GLY 46 H GLY 46 13.590 -4.771 -0.017
304 HA2 GLY 46 1HA GLY 46 12.811 -6.748 -1.672
305 HA3 GLY 46 2HA GLY 46 12.732 -6.922 0.075
Start of MODEL 3
1 H1 GLY 1 H GLY 1 2.037 -21.046 6.567
2 HA2 GLY 1 1HA GLY 1 2.353 -21.052 4.284
3 HA3 GLY 1 2HA GLY 1 2.364 -22.809 4.342
4 H SER 2 H SER 2 0.042 -23.688 4.951
5 HA SER 2 HA SER 2 -1.621 -23.047 2.756
6 HB2 SER 2 1HB SER 2 -1.673 -25.281 3.645
7 HB3 SER 2 2HB SER 2 -2.131 -24.691 5.243
8 HG SER 2 HG SER 2 -3.778 -24.050 3.079
9 H SER 3 H SER 3 -3.562 -21.958 2.639
10 HA SER 3 HA SER 3 -4.461 -20.513 5.027
11 HB2 SER 3 1HB SER 3 -3.899 -19.250 2.334
12 HB3 SER 3 2HB SER 3 -4.733 -18.444 3.663
13 HG SER 3 HG SER 3 -2.237 -19.599 4.164
14 H GLY 4 H GLY 4 -6.648 -19.631 4.815
15 HA2 GLY 4 1HA GLY 4 -8.286 -21.385 3.112
16 HA3 GLY 4 2HA GLY 4 -8.832 -20.585 4.579
17 H SER 5 H SER 5 -10.434 -19.267 4.000
18 HA SER 5 HA SER 5 -9.981 -17.482 1.698
19 HB2 SER 5 1HB SER 5 -12.421 -17.438 1.377
20 HB3 SER 5 2HB SER 5 -11.796 -19.083 1.265
21 HG SER 5 HG SER 5 -12.748 -19.594 3.117
22 H SER 6 H SER 6 -9.439 -15.546 2.460
23 HA SER 6 HA SER 6 -11.247 -14.035 4.048
24 HB2 SER 6 1HB SER 6 -10.136 -15.458 5.802
25 HB3 SER 6 2HB SER 6 -8.610 -14.681 5.382
26 HG SER 6 HG SER 6 -10.078 -13.800 7.174
27 H GLY 7 H GLY 7 -10.730 -11.826 4.101
28 HA2 GLY 7 1HA GLY 7 -8.834 -10.188 3.806
29 HA3 GLY 7 2HA GLY 7 -8.467 -11.097 2.348
30 H SER 8 H SER 8 -8.995 -8.319 2.426
31 HA SER 8 HA SER 8 -11.664 -7.697 1.746
32 HB2 SER 8 1HB SER 8 -10.122 -5.959 2.466
33 HB3 SER 8 2HB SER 8 -9.086 -6.259 1.070
34 HG SER 8 HG SER 8 -10.895 -4.498 1.127
35 H GLY 9 H GLY 9 -8.790 -8.276 -0.277
36 HA2 GLY 9 1HA GLY 9 -9.587 -9.805 -2.240
37 HA3 GLY 9 2HA GLY 9 -10.517 -8.371 -2.647
38 H GLU 10 H GLU 10 -9.551 -6.717 -3.713
39 HA GLU 10 HA GLU 10 -6.720 -6.355 -3.787
40 HB2 GLU 10 1HB GLU 10 -6.312 -6.906 -6.098
41 HB3 GLU 10 2HB GLU 10 -6.976 -8.319 -5.289
42 HG2 GLU 10 1HG GLU 10 -8.752 -6.444 -6.795
43 HG3 GLU 10 2HG GLU 10 -7.837 -7.698 -7.631
44 H LYS 11 H LYS 11 -6.179 -4.345 -4.505
45 HA LYS 11 HA LYS 11 -8.389 -2.550 -5.089
46 HB2 LYS 11 1HB LYS 11 -5.490 -1.779 -4.820
47 HB3 LYS 11 2HB LYS 11 -6.911 -0.772 -4.573
48 HG2 LYS 11 1HG LYS 11 -6.292 -3.139 -2.832
49 HG3 LYS 11 2HG LYS 11 -5.670 -1.521 -2.501
50 HD2 LYS 11 1HD LYS 11 -7.587 -1.471 -1.252
51 HD3 LYS 11 2HD LYS 11 -8.212 -0.864 -2.788
52 HE2 LYS 11 1HE LYS 11 -8.649 -3.396 -3.270
53 HE3 LYS 11 2HE LYS 11 -8.564 -3.544 -1.515
54 HZ1 LYS 11 3HZ LYS 11 -10.207 -1.451 -1.798
55 HZ2 LYS 11 1HZ LYS 11 -10.732 -3.051 -1.633
56 HZ3 LYS 11 2HZ LYS 11 -10.616 -2.353 -3.170
57 HA PRO 12 HA PRO 12 -7.697 -2.269 -9.420
58 HB2 PRO 12 1HB PRO 12 -8.533 0.272 -9.878
59 HB3 PRO 12 2HB PRO 12 -9.644 -1.054 -9.516
60 HG2 PRO 12 1HG PRO 12 -8.565 1.065 -7.697
61 HG3 PRO 12 2HG PRO 12 -10.217 0.430 -7.819
62 HD2 PRO 12 1HD PRO 12 -8.494 -0.356 -5.884
63 HD3 PRO 12 2HD PRO 12 -9.726 -1.439 -6.563
64 H TYR 13 H TYR 13 -6.531 0.482 -7.494
65 HA TYR 13 HA TYR 13 -4.539 1.139 -9.500
66 HB2 TYR 13 1HB TYR 13 -4.924 2.374 -6.769
67 HB3 TYR 13 2HB TYR 13 -4.018 3.046 -8.120
68 HD1 TYR 13 HD1 TYR 13 -5.171 4.057 -10.012
69 HD2 TYR 13 HD2 TYR 13 -7.347 2.467 -6.720
70 HE1 TYR 13 HE1 TYR 13 -7.185 5.242 -10.779
71 HE2 TYR 13 HE2 TYR 13 -9.368 3.646 -7.478
72 HH TYR 13 HH TYR 13 -10.304 4.766 -9.215
73 H VAL 14 H VAL 14 -2.978 -0.398 -9.563
74 HA VAL 14 HA VAL 14 -1.596 -1.025 -7.035
75 HB VAL 14 HB VAL 14 -1.750 -2.666 -9.568
76 HG11 VAL 14 1HG1 VAL 14 -0.636 -3.924 -7.183
77 HG12 VAL 14 2HG1 VAL 14 -0.063 -3.948 -8.852
78 HG13 VAL 14 3HG1 VAL 14 0.345 -2.594 -7.798
79 HG21 VAL 14 3HG2 VAL 14 -3.389 -3.869 -8.620
80 HG22 VAL 14 1HG2 VAL 14 -2.628 -3.829 -7.030
81 HG23 VAL 14 2HG2 VAL 14 -3.606 -2.467 -7.574
82 H CYS 15 H CYS 15 0.246 0.048 -6.824
83 HA CYS 15 HA CYS 15 1.558 1.568 -8.677
84 HB2 CYS 15 1HB CYS 15 1.997 1.397 -6.172
85 HB3 CYS 15 2HB CYS 15 3.031 0.022 -6.545
86 H ASP 16 H ASP 16 2.913 1.252 -10.341
87 HA ASP 16 HA ASP 16 3.542 -1.516 -11.060
88 HB2 ASP 16 1HB ASP 16 2.367 -0.089 -12.720
89 HB3 ASP 16 2HB ASP 16 3.758 0.991 -12.739
90 H TYR 17 H TYR 17 4.977 0.645 -9.234
91 HA TYR 17 HA TYR 17 7.644 0.454 -10.427
92 HB2 TYR 17 1HB TYR 17 6.580 2.615 -9.404
93 HB3 TYR 17 2HB TYR 17 7.060 1.903 -7.868
94 HD1 TYR 17 HD2 TYR 17 9.540 1.219 -7.628
95 HD2 TYR 17 HD1 TYR 17 8.111 3.860 -10.642
96 HE1 TYR 17 HE2 TYR 17 11.817 2.102 -7.925
97 HE2 TYR 17 HE1 TYR 17 10.384 4.750 -10.948
98 HH TYR 17 HH TYR 17 12.890 4.180 -8.766
99 H CYS 18 H CYS 18 5.878 -0.367 -7.471
100 HA CYS 18 HA CYS 18 8.096 -2.163 -6.734
101 HB2 CYS 18 1HB CYS 18 7.364 -1.918 -4.396
102 HB3 CYS 18 2HB CYS 18 7.809 -0.368 -5.102
103 H GLY 19 H GLY 19 4.566 -1.755 -6.627
104 HA2 GLY 19 1HA GLY 19 3.249 -3.629 -7.547
105 HA3 GLY 19 2HA GLY 19 4.341 -4.702 -6.684
106 H LYS 20 H LYS 20 2.661 -1.743 -5.653
107 HA LYS 20 HA LYS 20 1.624 -3.240 -3.351
108 HB2 LYS 20 1HB LYS 20 2.324 -0.388 -3.843
109 HB3 LYS 20 2HB LYS 20 1.024 -0.722 -2.707
110 HG2 LYS 20 1HG LYS 20 2.774 -2.399 -1.696
111 HG3 LYS 20 2HG LYS 20 3.926 -1.334 -2.506
112 HD2 LYS 20 1HD LYS 20 3.143 0.562 -1.283
113 HD3 LYS 20 2HD LYS 20 1.782 -0.352 -0.628
114 HE2 LYS 20 1HE LYS 20 3.447 -0.168 1.080
115 HE3 LYS 20 2HE LYS 20 3.421 -1.838 0.518
116 HZ1 LYS 20 3HZ LYS 20 5.556 0.047 0.466
117 HZ2 LYS 20 1HZ LYS 20 5.266 -0.588 -1.075
118 HZ3 LYS 20 2HZ LYS 20 5.596 -1.626 0.219
119 H ALA 21 H ALA 21 -0.526 -1.902 -2.566
120 HA ALA 21 HA ALA 21 -2.337 -1.715 -4.869
121 HB1 ALA 21 3HB ALA 21 -2.352 -3.766 -2.825
122 HB2 ALA 21 1HB ALA 21 -3.883 -2.894 -2.896
123 HB3 ALA 21 2HB ALA 21 -3.246 -3.677 -4.342
124 H PHE 22 H PHE 22 -3.959 -0.226 -4.681
125 HA PHE 22 HA PHE 22 -4.407 1.080 -2.111
126 HB2 PHE 22 1HB PHE 22 -3.582 2.593 -4.598
127 HB3 PHE 22 2HB PHE 22 -4.118 3.328 -3.090
128 HD1 PHE 22 HD2 PHE 22 -2.733 3.005 -1.024
129 HD2 PHE 22 HD1 PHE 22 -1.355 1.927 -4.904
130 HE1 PHE 22 HE2 PHE 22 -0.417 2.990 -0.194
131 HE2 PHE 22 HE1 PHE 22 0.963 1.910 -4.080
132 HZ PHE 22 HZ PHE 22 1.435 2.442 -1.722
133 H GLY 23 H GLY 23 -6.497 1.549 -1.807
134 HA2 GLY 23 1HA GLY 23 -8.414 0.845 -3.809
135 HA3 GLY 23 2HA GLY 23 -8.764 1.518 -2.224
136 H LEU 24 H LEU 24 -6.846 3.785 -2.927
137 HA LEU 24 HA LEU 24 -8.732 5.287 -4.623
138 HB2 LEU 24 1HB LEU 24 -7.326 5.987 -2.101
139 HB3 LEU 24 2HB LEU 24 -7.568 7.264 -3.291
140 HG LEU 24 HG LEU 24 -9.339 7.396 -1.703
141 HD11 LEU 24 1HD1 LEU 24 -9.755 7.266 -4.358
142 HD12 LEU 24 2HD1 LEU 24 -11.020 7.628 -3.184
143 HD13 LEU 24 3HD1 LEU 24 -10.842 5.990 -3.811
144 HD21 LEU 24 3HD2 LEU 24 -9.564 5.435 -0.571
145 HD22 LEU 24 1HD2 LEU 24 -9.383 4.445 -2.020
146 HD23 LEU 24 2HD2 LEU 24 -10.913 5.259 -1.694
147 H SER 25 H SER 25 -7.924 6.593 -6.221
148 HA SER 25 HA SER 25 -5.498 5.902 -7.416
149 HB2 SER 25 1HB SER 25 -7.146 6.861 -8.818
150 HB3 SER 25 2HB SER 25 -7.330 8.271 -7.774
151 HG SER 25 HG SER 25 -5.360 7.690 -9.663
152 H ALA 26 H ALA 26 -6.314 8.967 -5.779
153 HA ALA 26 HA ALA 26 -3.867 10.194 -5.836
154 HB1 ALA 26 3HB ALA 26 -4.642 11.618 -4.197
155 HB2 ALA 26 1HB ALA 26 -6.147 10.956 -4.834
156 HB3 ALA 26 2HB ALA 26 -5.477 10.334 -3.325
157 H GLU 27 H GLU 27 -5.029 7.911 -3.365
158 HA GLU 27 HA GLU 27 -2.884 7.929 -1.645
159 HB2 GLU 27 1HB GLU 27 -4.769 5.744 -2.476
160 HB3 GLU 27 2HB GLU 27 -3.480 5.425 -1.324
161 HG2 GLU 27 1HG GLU 27 -5.784 7.326 -1.035
162 HG3 GLU 27 2HG GLU 27 -5.428 5.892 -0.074
163 H LEU 28 H LEU 28 -3.186 6.308 -4.748
164 HA LEU 28 HA LEU 28 -0.761 4.815 -4.504
165 HB2 LEU 28 1HB LEU 28 -2.386 3.943 -5.969
166 HB3 LEU 28 2HB LEU 28 -2.572 5.485 -6.803
167 HG LEU 28 HG LEU 28 -0.379 5.211 -7.829
168 HD11 LEU 28 1HD1 LEU 28 1.080 3.497 -7.396
169 HD12 LEU 28 2HD1 LEU 28 -0.186 2.417 -6.814
170 HD13 LEU 28 3HD1 LEU 28 0.379 3.741 -5.796
171 HD21 LEU 28 3HD2 LEU 28 -0.978 3.581 -9.408
172 HD22 LEU 28 1HD2 LEU 28 -2.510 4.200 -8.792
173 HD23 LEU 28 2HD2 LEU 28 -1.895 2.647 -8.224
174 H VAL 29 H VAL 29 -1.679 7.803 -6.187
175 HA VAL 29 HA VAL 29 0.766 8.330 -7.426
176 HB VAL 29 HB VAL 29 -1.101 10.439 -6.344
177 HG11 VAL 29 1HG1 VAL 29 -0.258 11.375 -8.703
178 HG12 VAL 29 2HG1 VAL 29 0.607 11.667 -7.192
179 HG13 VAL 29 3HG1 VAL 29 1.136 10.382 -8.279
180 HG21 VAL 29 3HG2 VAL 29 -1.338 8.689 -8.773
181 HG22 VAL 29 1HG2 VAL 29 -2.539 9.010 -7.522
182 HG23 VAL 29 2HG2 VAL 29 -2.118 10.268 -8.683
183 H ARG 30 H ARG 30 -0.446 9.413 -4.260
184 HA ARG 30 HA ARG 30 1.828 10.899 -3.539
185 HB2 ARG 30 1HB ARG 30 -0.491 9.726 -2.088
186 HB3 ARG 30 2HB ARG 30 0.900 10.221 -1.133
187 HG2 ARG 30 1HG ARG 30 -0.668 12.021 -1.192
188 HG3 ARG 30 2HG ARG 30 0.737 12.473 -2.160
189 HD2 ARG 30 1HD ARG 30 -1.546 11.151 -3.530
190 HD3 ARG 30 2HD ARG 30 -1.738 12.831 -3.031
191 HE ARG 30 HE ARG 30 -0.127 11.845 -5.181
192 HH11 ARG 30 1HH1 ARG 30 -0.468 14.396 -2.837
193 HH12 ARG 30 2HH1 ARG 30 0.409 15.556 -3.779
194 HH21 ARG 30 1HH2 ARG 30 1.029 13.363 -6.431
195 HH22 ARG 30 2HH2 ARG 30 1.259 14.968 -5.823
196 H HIS 31 H HIS 31 1.094 7.491 -3.344
197 HA HIS 31 HA HIS 31 3.133 6.759 -1.524
198 HB2 HIS 31 1HB HIS 31 1.534 5.102 -1.767
199 HB3 HIS 31 2HB HIS 31 1.445 5.297 -3.515
200 HD1 HIS 31 HD1 HIS 31 3.659 3.778 -0.857
201 HD2 HIS 31 HD2 HIS 31 3.031 3.589 -4.959
202 HE1 HIS 31 HE1 HIS 31 5.063 1.854 -1.664
203 H GLN 32 H GLN 32 3.021 6.967 -5.054
204 HA GLN 32 HA GLN 32 5.530 5.845 -5.589
205 HB2 GLN 32 1HB GLN 32 4.048 7.981 -7.132
206 HB3 GLN 32 2HB GLN 32 5.393 7.030 -7.746
207 HG2 GLN 32 1HG GLN 32 3.956 4.986 -7.263
208 HG3 GLN 32 2HG GLN 32 2.618 6.119 -7.076
209 HE21 GLN 32 1HE2 GLN 32 3.344 3.981 -9.093
210 HE22 GLN 32 2HE2 GLN 32 3.155 4.765 -10.621
211 H ARG 33 H ARG 33 4.761 8.703 -3.992
212 HA ARG 33 HA ARG 33 6.823 10.426 -4.814
213 HB2 ARG 33 1HB ARG 33 5.399 10.206 -2.157
214 HB3 ARG 33 2HB ARG 33 6.474 11.526 -2.597
215 HG2 ARG 33 1HG ARG 33 3.980 10.805 -4.117
216 HG3 ARG 33 2HG ARG 33 4.058 12.038 -2.857
217 HD2 ARG 33 1HD ARG 33 4.322 13.275 -4.800
218 HD3 ARG 33 2HD ARG 33 5.985 13.022 -4.271
219 HE ARG 33 HE ARG 33 5.260 10.950 -6.017
220 HH11 ARG 33 1HH1 ARG 33 5.900 14.372 -6.044
221 HH12 ARG 33 2HH1 ARG 33 6.450 14.388 -7.687
222 HH21 ARG 33 1HH2 ARG 33 5.982 10.958 -8.181
223 HH22 ARG 33 2HH2 ARG 33 6.495 12.446 -8.902
224 H ILE 34 H ILE 34 6.793 7.680 -2.684
225 HA ILE 34 HA ILE 34 9.301 8.267 -1.420
226 HB ILE 34 HB ILE 34 9.111 6.204 -0.316
227 HG12 ILE 34 1HG1 ILE 34 7.104 5.344 -2.411
228 HG13 ILE 34 2HG1 ILE 34 8.785 4.827 -2.351
229 HG21 ILE 34 1HG2 ILE 34 7.365 6.900 0.860
230 HG22 ILE 34 2HG2 ILE 34 6.884 7.932 -0.486
231 HG23 ILE 34 3HG2 ILE 34 6.264 6.286 -0.373
232 HD11 ILE 34 3HD1 ILE 34 8.443 3.537 -0.448
233 HD12 ILE 34 1HD1 ILE 34 6.937 4.360 -0.046
234 HD13 ILE 34 2HD1 ILE 34 6.999 3.257 -1.420
235 H HIS 35 H HIS 35 8.328 6.843 -4.384
236 HA HIS 35 HA HIS 35 10.718 5.286 -4.780
237 HB2 HIS 35 1HB HIS 35 8.463 6.070 -6.631
238 HB3 HIS 35 2HB HIS 35 9.821 5.068 -7.131
239 HD1 HIS 35 HD1 HIS 35 9.923 3.365 -4.458
240 HD2 HIS 35 HD2 HIS 35 6.553 4.084 -6.780
241 HE1 HIS 35 HE1 HIS 35 8.336 1.485 -3.940
242 H THR 36 H THR 36 9.728 8.539 -5.317
243 HA THR 36 HA THR 36 12.156 9.029 -6.915
244 HB THR 36 HB THR 36 11.027 11.110 -7.704
245 HG1 THR 36 HG1 THR 36 8.720 11.181 -7.369
246 HG21 THR 36 3HG2 THR 36 10.993 9.241 -9.182
247 HG22 THR 36 1HG2 THR 36 9.367 9.922 -9.184
248 HG23 THR 36 2HG2 THR 36 9.708 8.457 -8.263
249 H GLY 37 H GLY 37 12.301 8.839 -4.121
250 HA2 GLY 37 1HA GLY 37 13.268 9.966 -2.368
251 HA3 GLY 37 2HA GLY 37 13.600 11.274 -3.493
252 H GLU 38 H GLU 38 12.896 11.690 -0.813
253 HA GLU 38 HA GLU 38 10.270 12.981 -1.145
254 HB2 GLU 38 1HB GLU 38 10.302 10.950 0.400
255 HB3 GLU 38 2HB GLU 38 11.290 11.919 1.485
256 HG2 GLU 38 1HG GLU 38 9.478 13.600 1.563
257 HG3 GLU 38 2HG GLU 38 8.486 12.526 0.578
258 H LYS 39 H LYS 39 11.447 14.869 -1.793
259 HA LYS 39 HA LYS 39 12.922 16.195 0.380
260 HB2 LYS 39 1HB LYS 39 12.981 16.538 -2.612
261 HB3 LYS 39 2HB LYS 39 13.646 17.754 -1.529
262 HG2 LYS 39 1HG LYS 39 15.369 16.388 -0.835
263 HG3 LYS 39 2HG LYS 39 14.512 14.909 -1.274
264 HD2 LYS 39 1HD LYS 39 16.107 15.065 -2.944
265 HD3 LYS 39 2HD LYS 39 14.705 15.828 -3.698
266 HE2 LYS 39 1HE LYS 39 16.749 17.435 -2.200
267 HE3 LYS 39 2HE LYS 39 16.985 17.001 -3.892
268 HZ1 LYS 39 3HZ LYS 39 14.398 18.021 -3.608
269 HZ2 LYS 39 1HZ LYS 39 15.697 18.690 -4.460
270 HZ3 LYS 39 2HZ LYS 39 15.454 19.093 -2.836
271 HA PRO 40 HA PRO 40 8.868 18.391 0.272
272 HB2 PRO 40 1HB PRO 40 8.762 18.774 2.958
273 HB3 PRO 40 2HB PRO 40 8.197 17.293 2.176
274 HG2 PRO 40 1HG PRO 40 10.797 17.831 3.560
275 HG3 PRO 40 2HG PRO 40 9.752 16.401 3.657
276 HD2 PRO 40 1HD PRO 40 11.983 16.475 2.123
277 HD3 PRO 40 2HD PRO 40 10.547 15.531 1.676
278 H SER 41 H SER 41 12.029 19.105 1.487
279 HA SER 41 HA SER 41 11.698 21.898 0.857
280 HB2 SER 41 1HB SER 41 12.374 21.097 3.698
281 HB3 SER 41 2HB SER 41 12.346 22.742 3.064
282 HG SER 41 HG SER 41 10.169 20.965 3.408
283 H GLY 42 H GLY 42 13.429 22.195 -0.382
284 HA2 GLY 42 1HA GLY 42 16.026 21.200 0.618
285 HA3 GLY 42 2HA GLY 42 15.586 21.111 -1.081
286 HA PRO 43 HA PRO 43 16.384 25.763 0.114
287 HB2 PRO 43 1HB PRO 43 17.994 26.093 2.275
288 HB3 PRO 43 2HB PRO 43 16.231 26.049 2.388
289 HG2 PRO 43 1HG PRO 43 18.218 23.876 2.928
290 HG3 PRO 43 2HG PRO 43 16.774 24.327 3.853
291 HD2 PRO 43 1HD PRO 43 16.812 22.228 2.143
292 HD3 PRO 43 2HD PRO 43 15.355 23.202 2.427
293 H SER 44 H SER 44 18.504 23.094 0.093
294 HA SER 44 HA SER 44 20.999 24.354 -0.174
295 HB2 SER 44 1HB SER 44 20.139 21.755 -1.466
296 HB3 SER 44 2HB SER 44 21.788 22.256 -1.089
297 HG SER 44 HG SER 44 19.941 22.195 1.001
298 H SER 45 H SER 45 18.788 23.143 -2.695
299 HA SER 45 HA SER 45 20.025 23.689 -4.990
300 HB2 SER 45 1HB SER 45 17.789 24.513 -5.900
301 HB3 SER 45 2HB SER 45 17.772 22.940 -5.103
302 HG SER 45 HG SER 45 16.848 25.424 -4.126
303 H GLY 46 H GLY 46 18.709 26.142 -2.823
304 HA2 GLY 46 1HA GLY 46 20.079 28.188 -4.458
305 HA3 GLY 46 2HA GLY 46 18.547 28.488 -3.651
Start of MODEL 4
1 H1 GLY 1 H GLY 1 5.068 -15.035 12.156
2 HA2 GLY 1 1HA GLY 1 4.474 -12.367 12.461
3 HA3 GLY 1 2HA GLY 1 3.588 -13.448 11.396
4 H SER 2 H SER 2 1.821 -11.923 11.965
5 HA SER 2 HA SER 2 0.526 -12.752 14.480
6 HB2 SER 2 1HB SER 2 0.812 -10.059 13.228
7 HB3 SER 2 2HB SER 2 -0.690 -10.417 14.081
8 HG SER 2 HG SER 2 1.560 -9.653 15.145
9 H SER 3 H SER 3 0.204 -14.220 12.160
10 HA SER 3 HA SER 3 -1.333 -15.029 10.678
11 HB2 SER 3 1HB SER 3 -2.421 -15.154 13.086
12 HB3 SER 3 2HB SER 3 -3.535 -13.969 12.403
13 HG SER 3 HG SER 3 -3.481 -15.697 10.569
14 H GLY 4 H GLY 4 -0.414 -12.500 9.964
15 HA2 GLY 4 1HA GLY 4 -2.640 -10.792 9.306
16 HA3 GLY 4 2HA GLY 4 -0.969 -10.570 8.808
17 H SER 5 H SER 5 -3.949 -12.321 8.112
18 HA SER 5 HA SER 5 -3.003 -13.447 5.664
19 HB2 SER 5 1HB SER 5 -5.805 -13.079 6.746
20 HB3 SER 5 2HB SER 5 -5.419 -13.974 5.277
21 HG SER 5 HG SER 5 -5.605 -15.169 7.373
22 H SER 6 H SER 6 -3.157 -12.707 3.612
23 HA SER 6 HA SER 6 -4.731 -10.337 3.016
24 HB2 SER 6 1HB SER 6 -2.796 -9.150 2.012
25 HB3 SER 6 2HB SER 6 -2.623 -9.361 3.755
26 HG SER 6 HG SER 6 -0.927 -10.090 1.901
27 H GLY 7 H GLY 7 -5.856 -10.961 1.296
28 HA2 GLY 7 1HA GLY 7 -5.061 -11.299 -1.228
29 HA3 GLY 7 2HA GLY 7 -4.742 -12.897 -0.570
30 H SER 8 H SER 8 -7.400 -10.546 -0.210
31 HA SER 8 HA SER 8 -9.265 -12.731 -0.868
32 HB2 SER 8 1HB SER 8 -9.714 -12.085 1.363
33 HB3 SER 8 2HB SER 8 -9.539 -10.370 0.989
34 HG SER 8 HG SER 8 -11.467 -10.453 -0.151
35 H GLY 9 H GLY 9 -8.847 -9.200 -1.114
36 HA2 GLY 9 1HA GLY 9 -10.492 -9.290 -3.568
37 HA3 GLY 9 2HA GLY 9 -10.443 -7.913 -2.478
38 H GLU 10 H GLU 10 -10.023 -7.149 -4.891
39 HA GLU 10 HA GLU 10 -7.111 -6.794 -5.092
40 HB2 GLU 10 1HB GLU 10 -8.055 -8.429 -6.798
41 HB3 GLU 10 2HB GLU 10 -8.903 -7.059 -7.502
42 HG2 GLU 10 1HG GLU 10 -6.949 -6.051 -8.223
43 HG3 GLU 10 2HG GLU 10 -5.947 -6.954 -7.089
44 H LYS 11 H LYS 11 -6.419 -4.806 -5.976
45 HA LYS 11 HA LYS 11 -8.501 -2.720 -6.010
46 HB2 LYS 11 1HB LYS 11 -5.608 -2.434 -5.181
47 HB3 LYS 11 2HB LYS 11 -6.819 -1.158 -5.166
48 HG2 LYS 11 1HG LYS 11 -7.149 -3.673 -3.566
49 HG3 LYS 11 2HG LYS 11 -6.260 -2.278 -2.951
50 HD2 LYS 11 1HD LYS 11 -8.149 -0.953 -2.847
51 HD3 LYS 11 2HD LYS 11 -9.006 -1.900 -4.066
52 HE2 LYS 11 1HE LYS 11 -8.802 -3.787 -2.229
53 HE3 LYS 11 2HE LYS 11 -8.669 -2.399 -1.151
54 HZ1 LYS 11 3HZ LYS 11 -10.765 -1.703 -2.657
55 HZ2 LYS 11 1HZ LYS 11 -10.894 -2.509 -1.175
56 HZ3 LYS 11 2HZ LYS 11 -10.959 -3.383 -2.622
57 HA PRO 12 HA PRO 12 -7.308 -1.810 -10.148
58 HB2 PRO 12 1HB PRO 12 -8.172 0.760 -10.291
59 HB3 PRO 12 2HB PRO 12 -9.271 -0.625 -10.294
60 HG2 PRO 12 1HG PRO 12 -8.504 1.179 -8.032
61 HG3 PRO 12 2HG PRO 12 -10.103 0.549 -8.467
62 HD2 PRO 12 1HD PRO 12 -8.606 -0.521 -6.480
63 HD3 PRO 12 2HD PRO 12 -9.705 -1.495 -7.478
64 H TYR 13 H TYR 13 -6.548 0.698 -7.733
65 HA TYR 13 HA TYR 13 -4.315 1.651 -9.314
66 HB2 TYR 13 1HB TYR 13 -5.139 2.480 -6.526
67 HB3 TYR 13 2HB TYR 13 -4.061 3.349 -7.611
68 HD1 TYR 13 HD1 TYR 13 -4.940 4.619 -9.488
69 HD2 TYR 13 HD2 TYR 13 -7.545 2.521 -6.859
70 HE1 TYR 13 HE1 TYR 13 -6.852 5.877 -10.389
71 HE2 TYR 13 HE2 TYR 13 -9.465 3.772 -7.753
72 HH TYR 13 HH TYR 13 -9.644 5.192 -10.442
73 H VAL 14 H VAL 14 -2.765 0.077 -9.366
74 HA VAL 14 HA VAL 14 -1.538 -0.612 -6.776
75 HB VAL 14 HB VAL 14 -2.622 -2.602 -7.614
76 HG11 VAL 14 1HG1 VAL 14 -0.945 -2.456 -10.102
77 HG12 VAL 14 2HG1 VAL 14 -2.324 -3.504 -9.763
78 HG13 VAL 14 3HG1 VAL 14 -2.571 -1.777 -10.026
79 HG21 VAL 14 3HG2 VAL 14 -0.704 -3.257 -6.527
80 HG22 VAL 14 1HG2 VAL 14 -0.451 -3.980 -8.115
81 HG23 VAL 14 2HG2 VAL 14 0.357 -2.470 -7.695
82 H CYS 15 H CYS 15 0.448 0.166 -6.602
83 HA CYS 15 HA CYS 15 1.842 1.452 -8.651
84 HB2 CYS 15 1HB CYS 15 2.265 1.874 -6.271
85 HB3 CYS 15 2HB CYS 15 2.933 0.254 -6.095
86 H ASP 16 H ASP 16 3.210 0.793 -10.193
87 HA ASP 16 HA ASP 16 3.647 -2.068 -10.501
88 HB2 ASP 16 1HB ASP 16 4.471 -1.474 -12.750
89 HB3 ASP 16 2HB ASP 16 2.864 -0.819 -12.445
90 H TYR 17 H TYR 17 5.337 0.718 -9.452
91 HA TYR 17 HA TYR 17 7.979 -0.007 -10.094
92 HB2 TYR 17 1HB TYR 17 7.073 2.239 -9.211
93 HB3 TYR 17 2HB TYR 17 7.231 1.522 -7.611
94 HD1 TYR 17 HD2 TYR 17 9.540 0.657 -6.924
95 HD2 TYR 17 HD1 TYR 17 8.919 3.224 -10.260
96 HE1 TYR 17 HE2 TYR 17 11.915 1.294 -6.869
97 HE2 TYR 17 HE1 TYR 17 11.292 3.867 -10.215
98 HH TYR 17 HH TYR 17 13.611 2.242 -8.821
99 H CYS 18 H CYS 18 6.133 -0.458 -7.080
100 HA CYS 18 HA CYS 18 8.129 -2.441 -6.229
101 HB2 CYS 18 1HB CYS 18 7.177 -2.148 -3.966
102 HB3 CYS 18 2HB CYS 18 7.781 -0.635 -4.634
103 H GLY 19 H GLY 19 4.616 -1.911 -6.405
104 HA2 GLY 19 1HA GLY 19 3.328 -3.757 -7.435
105 HA3 GLY 19 2HA GLY 19 4.294 -4.849 -6.454
106 H LYS 20 H LYS 20 2.987 -1.798 -5.311
107 HA LYS 20 HA LYS 20 1.499 -3.257 -3.267
108 HB2 LYS 20 1HB LYS 20 2.569 -0.494 -3.543
109 HB3 LYS 20 2HB LYS 20 1.137 -0.712 -2.545
110 HG2 LYS 20 1HG LYS 20 2.327 -2.335 -1.173
111 HG3 LYS 20 2HG LYS 20 3.762 -2.145 -2.183
112 HD2 LYS 20 1HD LYS 20 4.067 0.099 -1.483
113 HD3 LYS 20 2HD LYS 20 2.469 0.156 -0.734
114 HE2 LYS 20 1HE LYS 20 3.475 -1.865 0.662
115 HE3 LYS 20 2HE LYS 20 4.993 -1.073 0.242
116 HZ1 LYS 20 3HZ LYS 20 4.200 -0.239 2.332
117 HZ2 LYS 20 1HZ LYS 20 2.697 0.159 1.665
118 HZ3 LYS 20 2HZ LYS 20 4.085 0.994 1.180
119 H ALA 21 H ALA 21 -0.701 -2.938 -2.865
120 HA ALA 21 HA ALA 21 -2.212 -1.982 -5.194
121 HB1 ALA 21 3HB ALA 21 -4.055 -3.240 -3.650
122 HB2 ALA 21 1HB ALA 21 -3.117 -4.018 -4.925
123 HB3 ALA 21 2HB ALA 21 -2.594 -4.141 -3.245
124 H PHE 22 H PHE 22 -3.863 -0.497 -5.004
125 HA PHE 22 HA PHE 22 -4.425 0.645 -2.375
126 HB2 PHE 22 1HB PHE 22 -3.600 2.365 -4.722
127 HB3 PHE 22 2HB PHE 22 -4.010 2.919 -3.101
128 HD1 PHE 22 HD2 PHE 22 -2.460 2.642 -1.261
129 HD2 PHE 22 HD1 PHE 22 -1.469 1.340 -5.191
130 HE1 PHE 22 HE2 PHE 22 -0.097 2.460 -0.601
131 HE2 PHE 22 HE1 PHE 22 0.895 1.155 -4.537
132 HZ PHE 22 HZ PHE 22 1.584 1.716 -2.240
133 H GLY 23 H GLY 23 -6.506 1.233 -2.132
134 HA2 GLY 23 1HA GLY 23 -8.358 0.618 -4.238
135 HA3 GLY 23 2HA GLY 23 -8.761 1.218 -2.636
136 H LEU 24 H LEU 24 -7.081 3.570 -2.816
137 HA LEU 24 HA LEU 24 -8.759 5.145 -4.646
138 HB2 LEU 24 1HB LEU 24 -8.581 5.503 -2.043
139 HB3 LEU 24 2HB LEU 24 -7.127 6.392 -2.489
140 HG LEU 24 HG LEU 24 -8.626 7.750 -4.038
141 HD11 LEU 24 1HD1 LEU 24 -11.008 7.831 -3.310
142 HD12 LEU 24 2HD1 LEU 24 -10.721 6.362 -2.378
143 HD13 LEU 24 3HD1 LEU 24 -10.552 6.339 -4.133
144 HD21 LEU 24 3HD2 LEU 24 -9.659 8.407 -1.416
145 HD22 LEU 24 1HD2 LEU 24 -8.535 9.298 -2.443
146 HD23 LEU 24 2HD2 LEU 24 -7.934 8.036 -1.366
147 H SER 25 H SER 25 -7.860 6.585 -6.078
148 HA SER 25 HA SER 25 -5.324 5.991 -7.121
149 HB2 SER 25 1HB SER 25 -7.412 7.217 -8.172
150 HB3 SER 25 2HB SER 25 -6.573 8.666 -7.618
151 HG SER 25 HG SER 25 -4.699 7.410 -8.755
152 H ALA 26 H ALA 26 -6.352 9.050 -5.595
153 HA ALA 26 HA ALA 26 -4.066 10.413 -5.364
154 HB1 ALA 26 3HB ALA 26 -6.348 10.087 -3.493
155 HB2 ALA 26 1HB ALA 26 -4.921 10.949 -2.916
156 HB3 ALA 26 2HB ALA 26 -5.778 11.521 -4.348
157 H GLU 27 H GLU 27 -4.940 7.659 -3.315
158 HA GLU 27 HA GLU 27 -2.799 7.753 -1.536
159 HB2 GLU 27 1HB GLU 27 -4.522 5.522 -2.564
160 HB3 GLU 27 2HB GLU 27 -3.172 5.175 -1.493
161 HG2 GLU 27 1HG GLU 27 -4.269 7.041 -0.017
162 HG3 GLU 27 2HG GLU 27 -5.711 6.621 -0.939
163 H LEU 28 H LEU 28 -3.078 5.930 -4.584
164 HA LEU 28 HA LEU 28 -0.487 4.850 -4.544
165 HB2 LEU 28 1HB LEU 28 -2.126 3.910 -5.991
166 HB3 LEU 28 2HB LEU 28 -2.380 5.453 -6.804
167 HG LEU 28 HG LEU 28 -0.042 5.267 -7.692
168 HD11 LEU 28 1HD1 LEU 28 0.245 2.459 -7.532
169 HD12 LEU 28 2HD1 LEU 28 0.021 3.065 -5.891
170 HD13 LEU 28 3HD1 LEU 28 1.317 3.709 -6.899
171 HD21 LEU 28 3HD2 LEU 28 -2.081 4.659 -8.980
172 HD22 LEU 28 1HD2 LEU 28 -1.863 2.989 -8.457
173 HD23 LEU 28 2HD2 LEU 28 -0.640 3.764 -9.465
174 H VAL 29 H VAL 29 -1.728 7.645 -6.382
175 HA VAL 29 HA VAL 29 0.592 8.504 -7.562
176 HB VAL 29 HB VAL 29 -1.531 10.293 -6.370
177 HG11 VAL 29 1HG1 VAL 29 0.901 10.859 -7.786
178 HG12 VAL 29 2HG1 VAL 29 -0.492 11.380 -8.735
179 HG13 VAL 29 3HG1 VAL 29 -0.272 11.975 -7.089
180 HG21 VAL 29 3HG2 VAL 29 -1.336 9.000 -9.089
181 HG22 VAL 29 1HG2 VAL 29 -2.532 8.658 -7.838
182 HG23 VAL 29 2HG2 VAL 29 -2.517 10.230 -8.638
183 H ARG 30 H ARG 30 -0.579 9.340 -4.311
184 HA ARG 30 HA ARG 30 1.662 10.971 -3.668
185 HB2 ARG 30 1HB ARG 30 -0.399 9.632 -1.909
186 HB3 ARG 30 2HB ARG 30 0.803 10.777 -1.328
187 HG2 ARG 30 1HG ARG 30 -0.138 12.517 -2.729
188 HG3 ARG 30 2HG ARG 30 -1.308 11.373 -3.391
189 HD2 ARG 30 1HD ARG 30 -1.104 12.014 -0.457
190 HD3 ARG 30 2HD ARG 30 -2.160 12.892 -1.564
191 HE ARG 30 HE ARG 30 -2.813 10.273 -1.944
192 HH11 ARG 30 1HH1 ARG 30 -2.658 12.388 0.817
193 HH12 ARG 30 2HH1 ARG 30 -3.925 11.575 1.675
194 HH21 ARG 30 1HH2 ARG 30 -4.482 9.194 -0.825
195 HH22 ARG 30 2HH2 ARG 30 -4.961 9.757 0.740
196 H HIS 31 H HIS 31 1.028 7.570 -3.534
197 HA HIS 31 HA HIS 31 3.057 6.909 -1.638
198 HB2 HIS 31 1HB HIS 31 1.505 5.214 -1.775
199 HB3 HIS 31 2HB HIS 31 1.305 5.391 -3.515
200 HD1 HIS 31 HD1 HIS 31 3.587 3.826 -0.964
201 HD2 HIS 31 HD2 HIS 31 2.917 3.766 -5.064
202 HE1 HIS 31 HE1 HIS 31 4.978 1.925 -1.845
203 H GLN 32 H GLN 32 2.867 6.697 -5.186
204 HA GLN 32 HA GLN 32 5.339 5.643 -5.741
205 HB2 GLN 32 1HB GLN 32 3.633 7.630 -7.205
206 HB3 GLN 32 2HB GLN 32 5.200 7.159 -7.847
207 HG2 GLN 32 1HG GLN 32 4.426 4.778 -7.722
208 HG3 GLN 32 2HG GLN 32 2.821 5.398 -7.338
209 HE21 GLN 32 1HE2 GLN 32 2.641 3.974 -9.403
210 HE22 GLN 32 2HE2 GLN 32 2.667 4.851 -10.891
211 H ARG 33 H ARG 33 4.625 8.686 -4.356
212 HA ARG 33 HA ARG 33 6.783 10.246 -5.166
213 HB2 ARG 33 1HB ARG 33 5.393 10.193 -2.481
214 HB3 ARG 33 2HB ARG 33 6.458 11.476 -3.040
215 HG2 ARG 33 1HG ARG 33 4.030 10.703 -4.608
216 HG3 ARG 33 2HG ARG 33 3.919 11.803 -3.233
217 HD2 ARG 33 1HD ARG 33 4.235 13.309 -4.924
218 HD3 ARG 33 2HD ARG 33 5.911 13.005 -4.467
219 HE ARG 33 HE ARG 33 5.328 11.163 -6.425
220 HH11 ARG 33 1HH1 ARG 33 5.339 14.633 -6.148
221 HH12 ARG 33 2HH1 ARG 33 5.712 14.896 -7.820
222 HH21 ARG 33 1HH2 ARG 33 5.819 11.495 -8.627
223 HH22 ARG 33 2HH2 ARG 33 5.984 13.110 -9.229
224 H ILE 34 H ILE 34 6.611 7.636 -2.855
225 HA ILE 34 HA ILE 34 9.075 8.133 -1.544
226 HB ILE 34 HB ILE 34 8.873 5.984 -0.577
227 HG12 ILE 34 1HG1 ILE 34 6.862 5.288 -2.728
228 HG13 ILE 34 2HG1 ILE 34 8.540 4.756 -2.716
229 HG21 ILE 34 1HG2 ILE 34 6.635 7.742 -0.731
230 HG22 ILE 34 2HG2 ILE 34 6.051 6.084 -0.610
231 HG23 ILE 34 3HG2 ILE 34 7.151 6.722 0.611
232 HD11 ILE 34 3HD1 ILE 34 8.152 3.523 -0.665
233 HD12 ILE 34 1HD1 ILE 34 6.483 4.090 -0.624
234 HD13 ILE 34 2HD1 ILE 34 7.020 3.023 -1.921
235 H HIS 35 H HIS 35 8.300 6.880 -4.628
236 HA HIS 35 HA HIS 35 10.834 5.474 -4.925
237 HB2 HIS 35 1HB HIS 35 8.558 5.899 -6.873
238 HB3 HIS 35 2HB HIS 35 9.989 4.922 -7.190
239 HD1 HIS 35 HD1 HIS 35 10.191 3.307 -4.623
240 HD2 HIS 35 HD2 HIS 35 6.604 4.041 -6.588
241 HE1 HIS 35 HE1 HIS 35 8.635 1.473 -3.890
242 H THR 36 H THR 36 9.446 8.547 -5.582
243 HA THR 36 HA THR 36 11.786 9.265 -7.226
244 HB THR 36 HB THR 36 10.333 11.179 -8.055
245 HG1 THR 36 HG1 THR 36 8.563 11.278 -6.837
246 HG21 THR 36 3HG2 THR 36 10.610 9.626 -9.707
247 HG22 THR 36 1HG2 THR 36 8.875 9.447 -9.450
248 HG23 THR 36 2HG2 THR 36 9.998 8.301 -8.717
249 H GLY 37 H GLY 37 11.656 9.257 -4.324
250 HA2 GLY 37 1HA GLY 37 11.731 12.148 -3.748
251 HA3 GLY 37 2HA GLY 37 11.493 10.890 -2.544
252 H GLU 38 H GLU 38 13.337 12.708 -1.951
253 HA GLU 38 HA GLU 38 15.908 11.405 -2.566
254 HB2 GLU 38 1HB GLU 38 15.234 14.287 -2.017
255 HB3 GLU 38 2HB GLU 38 16.874 13.676 -1.852
256 HG2 GLU 38 1HG GLU 38 15.195 13.793 -4.338
257 HG3 GLU 38 2HG GLU 38 16.697 14.650 -4.000
258 H LYS 39 H LYS 39 14.395 10.285 -0.600
259 HA LYS 39 HA LYS 39 15.587 11.260 1.909
260 HB2 LYS 39 1HB LYS 39 13.168 9.500 1.465
261 HB3 LYS 39 2HB LYS 39 13.812 9.944 3.040
262 HG2 LYS 39 1HG LYS 39 12.967 12.025 1.057
263 HG3 LYS 39 2HG LYS 39 11.809 11.252 2.142
264 HD2 LYS 39 1HD LYS 39 13.441 11.912 4.017
265 HD3 LYS 39 2HD LYS 39 14.153 12.999 2.823
266 HE2 LYS 39 1HE LYS 39 11.610 13.682 2.493
267 HE3 LYS 39 2HE LYS 39 11.499 13.101 4.154
268 HZ1 LYS 39 3HZ LYS 39 12.752 15.486 3.117
269 HZ2 LYS 39 1HZ LYS 39 13.692 14.647 4.247
270 HZ3 LYS 39 2HZ LYS 39 12.138 15.169 4.661
271 HA PRO 40 HA PRO 40 18.171 7.700 2.077
272 HB2 PRO 40 1HB PRO 40 18.606 7.608 4.755
273 HB3 PRO 40 2HB PRO 40 19.350 8.817 3.703
274 HG2 PRO 40 1HG PRO 40 16.941 9.063 5.464
275 HG3 PRO 40 2HG PRO 40 18.272 10.209 5.222
276 HD2 PRO 40 1HD PRO 40 15.869 10.489 4.006
277 HD3 PRO 40 2HD PRO 40 17.388 11.014 3.251
278 H SER 41 H SER 41 15.244 7.903 3.980
279 HA SER 41 HA SER 41 15.207 5.300 5.031
280 HB2 SER 41 1HB SER 41 13.090 7.342 4.439
281 HB3 SER 41 2HB SER 41 12.625 5.719 4.949
282 HG SER 41 HG SER 41 13.966 7.723 6.366
283 H GLY 42 H GLY 42 14.282 3.386 4.319
284 HA2 GLY 42 1HA GLY 42 12.694 2.817 2.211
285 HA3 GLY 42 2HA GLY 42 14.258 3.052 1.445
286 HA PRO 43 HA PRO 43 13.694 -1.244 3.562
287 HB2 PRO 43 1HB PRO 43 12.497 -2.670 1.586
288 HB3 PRO 43 2HB PRO 43 11.590 -1.838 2.855
289 HG2 PRO 43 1HG PRO 43 12.147 -0.969 0.045
290 HG3 PRO 43 2HG PRO 43 10.638 -0.863 0.971
291 HD2 PRO 43 1HD PRO 43 12.291 1.254 0.631
292 HD3 PRO 43 2HD PRO 43 11.316 1.030 2.098
293 H SER 44 H SER 44 14.683 -3.301 2.744
294 HA SER 44 HA SER 44 16.249 -3.172 0.332
295 HB2 SER 44 1HB SER 44 17.518 -2.824 3.036
296 HB3 SER 44 2HB SER 44 18.409 -3.587 1.719
297 HG SER 44 HG SER 44 17.530 -0.945 1.988
298 H SER 45 H SER 45 15.823 -5.135 -0.430
299 HA SER 45 HA SER 45 15.809 -7.412 1.425
300 HB2 SER 45 1HB SER 45 14.647 -8.610 -0.458
301 HB3 SER 45 2HB SER 45 13.753 -7.235 0.187
302 HG SER 45 HG SER 45 14.359 -6.030 -1.582
303 H GLY 46 H GLY 46 17.037 -6.403 -1.752
304 HA2 GLY 46 1HA GLY 46 19.544 -7.007 -1.854
305 HA3 GLY 46 2HA GLY 46 18.940 -8.647 -1.671
Start of MODEL 5
1 H1 GLY 1 H GLY 1 4.050 -25.591 6.146
2 HA2 GLY 1 1HA GLY 1 2.293 -24.466 7.198
3 HA3 GLY 1 2HA GLY 1 3.318 -24.228 8.605
4 H SER 2 H SER 2 1.597 -22.334 7.132
5 HA SER 2 HA SER 2 3.469 -20.155 7.039
6 HB2 SER 2 1HB SER 2 2.310 -21.298 4.533
7 HB3 SER 2 2HB SER 2 2.491 -19.548 4.652
8 HG SER 2 HG SER 2 4.750 -20.298 5.444
9 H SER 3 H SER 3 2.295 -18.069 6.444
10 HA SER 3 HA SER 3 -0.151 -17.988 7.972
11 HB2 SER 3 1HB SER 3 1.836 -16.243 7.857
12 HB3 SER 3 2HB SER 3 0.894 -15.596 6.514
13 HG SER 3 HG SER 3 -0.696 -15.055 7.860
14 H GLY 4 H GLY 4 -1.987 -16.581 7.117
15 HA2 GLY 4 1HA GLY 4 -2.774 -17.676 4.534
16 HA3 GLY 4 2HA GLY 4 -3.819 -16.843 5.676
17 H SER 5 H SER 5 -4.710 -15.319 4.383
18 HA SER 5 HA SER 5 -2.882 -13.559 2.893
19 HB2 SER 5 1HB SER 5 -4.746 -12.978 1.479
20 HB3 SER 5 2HB SER 5 -4.683 -14.736 1.600
21 HG SER 5 HG SER 5 -6.703 -14.509 2.153
22 H SER 6 H SER 6 -2.566 -11.558 3.597
23 HA SER 6 HA SER 6 -4.172 -10.570 5.818
24 HB2 SER 6 1HB SER 6 -2.436 -8.860 6.056
25 HB3 SER 6 2HB SER 6 -1.709 -10.465 5.970
26 HG SER 6 HG SER 6 -1.256 -8.363 4.406
27 H GLY 7 H GLY 7 -6.100 -10.109 4.646
28 HA2 GLY 7 1HA GLY 7 -7.534 -8.520 3.775
29 HA3 GLY 7 2HA GLY 7 -6.165 -7.429 3.620
30 H SER 8 H SER 8 -7.590 -10.330 2.140
31 HA SER 8 HA SER 8 -6.174 -10.047 -0.309
32 HB2 SER 8 1HB SER 8 -7.129 -12.200 0.483
33 HB3 SER 8 2HB SER 8 -8.748 -11.554 0.217
34 HG SER 8 HG SER 8 -7.940 -11.189 -2.027
35 H GLY 9 H GLY 9 -6.529 -8.677 -1.922
36 HA2 GLY 9 1HA GLY 9 -9.130 -7.972 -2.836
37 HA3 GLY 9 2HA GLY 9 -8.423 -6.658 -1.908
38 H GLU 10 H GLU 10 -9.008 -7.420 -4.913
39 HA GLU 10 HA GLU 10 -6.372 -6.823 -6.023
40 HB2 GLU 10 1HB GLU 10 -7.520 -7.210 -8.223
41 HB3 GLU 10 2HB GLU 10 -7.509 -8.599 -7.145
42 HG2 GLU 10 1HG GLU 10 -9.785 -8.337 -6.613
43 HG3 GLU 10 2HG GLU 10 -9.841 -6.720 -7.313
44 H LYS 11 H LYS 11 -6.521 -4.643 -5.007
45 HA LYS 11 HA LYS 11 -8.380 -2.702 -5.751
46 HB2 LYS 11 1HB LYS 11 -5.453 -2.229 -5.168
47 HB3 LYS 11 2HB LYS 11 -6.763 -1.067 -5.003
48 HG2 LYS 11 1HG LYS 11 -6.535 -3.605 -3.400
49 HG3 LYS 11 2HG LYS 11 -5.981 -2.020 -2.854
50 HD2 LYS 11 1HD LYS 11 -8.215 -1.147 -2.930
51 HD3 LYS 11 2HD LYS 11 -8.816 -2.624 -3.688
52 HE2 LYS 11 1HE LYS 11 -9.385 -2.621 -1.339
53 HE3 LYS 11 2HE LYS 11 -8.196 -3.882 -1.660
54 HZ1 LYS 11 3HZ LYS 11 -6.468 -2.394 -0.833
55 HZ2 LYS 11 1HZ LYS 11 -7.648 -2.677 0.346
56 HZ3 LYS 11 2HZ LYS 11 -7.628 -1.210 -0.495
57 HA PRO 12 HA PRO 12 -7.484 -1.864 -9.979
58 HB2 PRO 12 1HB PRO 12 -8.443 0.671 -10.131
59 HB3 PRO 12 2HB PRO 12 -9.492 -0.748 -10.028
60 HG2 PRO 12 1HG PRO 12 -8.643 1.142 -7.866
61 HG3 PRO 12 2HG PRO 12 -10.244 0.448 -8.181
62 HD2 PRO 12 1HD PRO 12 -8.588 -0.518 -6.269
63 HD3 PRO 12 2HD PRO 12 -9.715 -1.554 -7.168
64 H TYR 13 H TYR 13 -6.552 0.581 -7.582
65 HA TYR 13 HA TYR 13 -4.467 1.583 -9.360
66 HB2 TYR 13 1HB TYR 13 -5.125 2.550 -6.577
67 HB3 TYR 13 2HB TYR 13 -4.217 3.400 -7.823
68 HD1 TYR 13 HD1 TYR 13 -5.398 4.329 -9.795
69 HD2 TYR 13 HD2 TYR 13 -7.512 2.596 -6.535
70 HE1 TYR 13 HE1 TYR 13 -7.465 5.415 -10.566
71 HE2 TYR 13 HE2 TYR 13 -9.586 3.676 -7.298
72 HH TYR 13 HH TYR 13 -10.555 4.636 -9.240
73 H VAL 14 H VAL 14 -2.860 0.075 -9.397
74 HA VAL 14 HA VAL 14 -1.546 -0.492 -6.820
75 HB VAL 14 HB VAL 14 -2.504 -2.559 -7.515
76 HG11 VAL 14 1HG1 VAL 14 -3.050 -2.824 -9.655
77 HG12 VAL 14 2HG1 VAL 14 -1.926 -1.561 -10.161
78 HG13 VAL 14 3HG1 VAL 14 -1.360 -3.220 -9.966
79 HG21 VAL 14 3HG2 VAL 14 -0.112 -2.549 -6.739
80 HG22 VAL 14 1HG2 VAL 14 -0.586 -3.956 -7.691
81 HG23 VAL 14 2HG2 VAL 14 0.363 -2.668 -8.433
82 H CYS 15 H CYS 15 0.529 0.075 -6.691
83 HA CYS 15 HA CYS 15 1.803 1.475 -8.794
84 HB2 CYS 15 1HB CYS 15 2.363 2.062 -6.547
85 HB3 CYS 15 2HB CYS 15 2.817 0.405 -6.160
86 H ASP 16 H ASP 16 3.364 0.883 -10.226
87 HA ASP 16 HA ASP 16 3.745 -1.986 -10.600
88 HB2 ASP 16 1HB ASP 16 4.871 -1.142 -12.769
89 HB3 ASP 16 2HB ASP 16 3.124 -0.981 -12.620
90 H TYR 17 H TYR 17 5.473 0.834 -9.595
91 HA TYR 17 HA TYR 17 8.106 0.073 -10.113
92 HB2 TYR 17 1HB TYR 17 7.234 2.313 -9.239
93 HB3 TYR 17 2HB TYR 17 7.257 1.576 -7.641
94 HD1 TYR 17 HD2 TYR 17 9.635 0.213 -7.280
95 HD2 TYR 17 HD1 TYR 17 9.027 3.686 -9.661
96 HE1 TYR 17 HE2 TYR 17 12.017 0.783 -7.047
97 HE2 TYR 17 HE1 TYR 17 11.407 4.265 -9.436
98 HH TYR 17 HH TYR 17 13.724 2.133 -8.377
99 H CYS 18 H CYS 18 6.247 -0.348 -7.098
100 HA CYS 18 HA CYS 18 8.158 -2.435 -6.298
101 HB2 CYS 18 1HB CYS 18 7.289 -2.100 -4.012
102 HB3 CYS 18 2HB CYS 18 7.940 -0.613 -4.693
103 H GLY 19 H GLY 19 4.679 -1.713 -6.421
104 HA2 GLY 19 1HA GLY 19 3.256 -3.468 -7.407
105 HA3 GLY 19 2HA GLY 19 4.196 -4.629 -6.481
106 H LYS 20 H LYS 20 3.044 -1.528 -5.281
107 HA LYS 20 HA LYS 20 1.604 -2.936 -3.170
108 HB2 LYS 20 1HB LYS 20 3.248 -0.919 -2.878
109 HB3 LYS 20 2HB LYS 20 1.850 0.047 -3.331
110 HG2 LYS 20 1HG LYS 20 0.683 -0.496 -1.419
111 HG3 LYS 20 2HG LYS 20 1.610 -1.974 -1.148
112 HD2 LYS 20 1HD LYS 20 2.902 0.730 -0.994
113 HD3 LYS 20 2HD LYS 20 2.052 0.040 0.390
114 HE2 LYS 20 1HE LYS 20 3.515 -1.883 0.375
115 HE3 LYS 20 2HE LYS 20 4.306 -1.310 -1.092
116 HZ1 LYS 20 3HZ LYS 20 4.569 0.782 0.603
117 HZ2 LYS 20 1HZ LYS 20 5.758 -0.382 0.300
118 HZ3 LYS 20 2HZ LYS 20 4.742 -0.541 1.642
119 H ALA 21 H ALA 21 -0.555 -3.016 -3.011
120 HA ALA 21 HA ALA 21 -2.129 -1.858 -5.167
121 HB1 ALA 21 3HB ALA 21 -2.420 -4.104 -3.319
122 HB2 ALA 21 1HB ALA 21 -3.910 -3.199 -3.588
123 HB3 ALA 21 2HB ALA 21 -3.040 -3.892 -4.957
124 H PHE 22 H PHE 22 -3.688 -0.319 -4.934
125 HA PHE 22 HA PHE 22 -4.221 0.723 -2.245
126 HB2 PHE 22 1HB PHE 22 -3.557 2.484 -4.612
127 HB3 PHE 22 2HB PHE 22 -3.911 3.015 -2.972
128 HD1 PHE 22 HD2 PHE 22 -2.290 2.630 -1.167
129 HD2 PHE 22 HD1 PHE 22 -1.405 1.667 -5.218
130 HE1 PHE 22 HE2 PHE 22 0.104 2.512 -0.612
131 HE2 PHE 22 HE1 PHE 22 0.991 1.546 -4.669
132 HZ PHE 22 HZ PHE 22 1.748 1.970 -2.364
133 H GLY 23 H GLY 23 -6.304 1.239 -1.891
134 HA2 GLY 23 1HA GLY 23 -8.240 0.600 -3.911
135 HA3 GLY 23 2HA GLY 23 -8.580 1.166 -2.282
136 H LEU 24 H LEU 24 -6.755 3.517 -2.776
137 HA LEU 24 HA LEU 24 -8.648 5.088 -4.399
138 HB2 LEU 24 1HB LEU 24 -8.340 5.456 -1.818
139 HB3 LEU 24 2HB LEU 24 -6.905 6.341 -2.329
140 HG LEU 24 HG LEU 24 -9.668 6.974 -3.345
141 HD11 LEU 24 1HD1 LEU 24 -8.705 8.924 -1.512
142 HD12 LEU 24 2HD1 LEU 24 -8.682 7.348 -0.721
143 HD13 LEU 24 3HD1 LEU 24 -10.178 7.958 -1.428
144 HD21 LEU 24 3HD2 LEU 24 -6.970 8.256 -3.515
145 HD22 LEU 24 1HD2 LEU 24 -8.434 9.233 -3.630
146 HD23 LEU 24 2HD2 LEU 24 -8.143 7.941 -4.795
147 H SER 25 H SER 25 -7.873 6.368 -5.993
148 HA SER 25 HA SER 25 -5.375 5.864 -7.121
149 HB2 SER 25 1HB SER 25 -7.360 6.824 -8.316
150 HB3 SER 25 2HB SER 25 -7.030 8.366 -7.527
151 HG SER 25 HG SER 25 -5.373 8.681 -8.810
152 H ALA 26 H ALA 26 -6.443 8.803 -5.404
153 HA ALA 26 HA ALA 26 -4.170 10.285 -5.400
154 HB1 ALA 26 3HB ALA 26 -5.161 11.534 -3.813
155 HB2 ALA 26 1HB ALA 26 -6.535 10.466 -4.102
156 HB3 ALA 26 2HB ALA 26 -5.443 10.153 -2.753
157 H GLU 27 H GLU 27 -4.865 7.525 -3.299
158 HA GLU 27 HA GLU 27 -2.588 7.735 -1.662
159 HB2 GLU 27 1HB GLU 27 -4.304 5.375 -2.424
160 HB3 GLU 27 2HB GLU 27 -2.987 5.260 -1.265
161 HG2 GLU 27 1HG GLU 27 -5.056 7.351 -0.851
162 HG3 GLU 27 2HG GLU 27 -5.467 5.673 -0.501
163 H LEU 28 H LEU 28 -3.135 6.108 -4.743
164 HA LEU 28 HA LEU 28 -0.601 4.811 -4.822
165 HB2 LEU 28 1HB LEU 28 -2.333 3.879 -6.129
166 HB3 LEU 28 2HB LEU 28 -2.678 5.423 -6.905
167 HG LEU 28 HG LEU 28 -0.613 5.285 -8.168
168 HD11 LEU 28 1HD1 LEU 28 0.262 2.668 -7.828
169 HD12 LEU 28 2HD1 LEU 28 0.029 3.282 -6.191
170 HD13 LEU 28 3HD1 LEU 28 1.086 4.140 -7.312
171 HD21 LEU 28 3HD2 LEU 28 -2.328 2.810 -8.275
172 HD22 LEU 28 1HD2 LEU 28 -1.131 3.233 -9.500
173 HD23 LEU 28 2HD2 LEU 28 -2.514 4.291 -9.215
174 H VAL 29 H VAL 29 -1.883 7.786 -6.270
175 HA VAL 29 HA VAL 29 0.423 8.489 -7.718
176 HB VAL 29 HB VAL 29 -1.693 10.302 -6.549
177 HG11 VAL 29 1HG1 VAL 29 0.542 10.774 -8.488
178 HG12 VAL 29 2HG1 VAL 29 -0.927 11.751 -8.538
179 HG13 VAL 29 3HG1 VAL 29 0.069 11.727 -7.082
180 HG21 VAL 29 3HG2 VAL 29 -3.042 9.755 -8.249
181 HG22 VAL 29 1HG2 VAL 29 -1.723 9.780 -9.419
182 HG23 VAL 29 2HG2 VAL 29 -2.008 8.339 -8.443
183 H ARG 30 H ARG 30 -0.609 9.252 -4.421
184 HA ARG 30 HA ARG 30 1.615 10.968 -3.883
185 HB2 ARG 30 1HB ARG 30 0.736 11.207 -1.734
186 HB3 ARG 30 2HB ARG 30 -0.690 10.916 -2.722
187 HG2 ARG 30 1HG ARG 30 -0.782 8.623 -2.007
188 HG3 ARG 30 2HG ARG 30 0.740 8.798 -1.132
189 HD2 ARG 30 1HD ARG 30 -1.674 10.480 -0.519
190 HD3 ARG 30 2HD ARG 30 -1.403 8.910 0.237
191 HE ARG 30 HE ARG 30 0.008 11.370 0.773
192 HH11 ARG 30 1HH1 ARG 30 0.039 7.898 1.022
193 HH12 ARG 30 2HH1 ARG 30 1.166 7.872 2.338
194 HH21 ARG 30 1HH2 ARG 30 1.492 11.349 2.506
195 HH22 ARG 30 2HH2 ARG 30 1.991 9.835 3.182
196 H HIS 31 H HIS 31 0.939 7.558 -3.502
197 HA HIS 31 HA HIS 31 3.024 6.912 -1.725
198 HB2 HIS 31 1HB HIS 31 1.505 5.188 -1.918
199 HB3 HIS 31 2HB HIS 31 1.340 5.386 -3.660
200 HD1 HIS 31 HD1 HIS 31 3.425 3.692 -1.066
201 HD2 HIS 31 HD2 HIS 31 3.200 3.968 -5.206
202 HE1 HIS 31 HE1 HIS 31 4.925 1.875 -1.944
203 H GLN 32 H GLN 32 2.876 6.713 -5.279
204 HA GLN 32 HA GLN 32 5.284 5.708 -5.938
205 HB2 GLN 32 1HB GLN 32 3.764 8.000 -7.145
206 HB3 GLN 32 2HB GLN 32 5.294 7.475 -7.835
207 HG2 GLN 32 1HG GLN 32 4.353 5.206 -8.093
208 HG3 GLN 32 2HG GLN 32 2.807 5.814 -7.505
209 HE21 GLN 32 1HE2 GLN 32 1.690 5.407 -9.371
210 HE22 GLN 32 2HE2 GLN 32 1.957 6.272 -10.843
211 H ARG 33 H ARG 33 4.726 8.730 -4.344
212 HA ARG 33 HA ARG 33 6.998 10.179 -4.872
213 HB2 ARG 33 1HB ARG 33 5.461 9.854 -2.297
214 HB3 ARG 33 2HB ARG 33 6.773 11.011 -2.480
215 HG2 ARG 33 1HG ARG 33 5.572 12.184 -4.197
216 HG3 ARG 33 2HG ARG 33 4.300 10.961 -4.194
217 HD2 ARG 33 1HD ARG 33 3.595 12.929 -2.955
218 HD3 ARG 33 2HD ARG 33 3.755 11.543 -1.878
219 HE ARG 33 HE ARG 33 5.404 12.659 -0.757
220 HH11 ARG 33 1HH1 ARG 33 4.935 14.161 -3.862
221 HH12 ARG 33 2HH1 ARG 33 5.996 15.489 -3.526
222 HH21 ARG 33 1HH2 ARG 33 6.803 14.402 -0.302
223 HH22 ARG 33 2HH2 ARG 33 7.058 15.625 -1.500
224 H ILE 34 H ILE 34 6.608 7.647 -2.404
225 HA ILE 34 HA ILE 34 9.097 7.715 -1.239
226 HB ILE 34 HB ILE 34 8.802 5.404 -0.621
227 HG12 ILE 34 1HG1 ILE 34 6.373 5.114 -2.336
228 HG13 ILE 34 2HG1 ILE 34 7.955 4.894 -3.078
229 HG21 ILE 34 1HG2 ILE 34 6.697 7.376 -0.391
230 HG22 ILE 34 2HG2 ILE 34 6.071 5.732 -0.270
231 HG23 ILE 34 3HG2 ILE 34 7.346 6.273 0.822
232 HD11 ILE 34 3HD1 ILE 34 8.465 3.082 -1.635
233 HD12 ILE 34 1HD1 ILE 34 7.050 3.402 -0.633
234 HD13 ILE 34 2HD1 ILE 34 6.848 2.805 -2.280
235 H HIS 35 H HIS 35 8.294 6.807 -4.445
236 HA HIS 35 HA HIS 35 10.786 5.356 -4.863
237 HB2 HIS 35 1HB HIS 35 8.521 6.005 -6.761
238 HB3 HIS 35 2HB HIS 35 9.928 5.028 -7.169
239 HD1 HIS 35 HD1 HIS 35 10.102 3.177 -4.772
240 HD2 HIS 35 HD2 HIS 35 6.520 4.185 -6.620
241 HE1 HIS 35 HE1 HIS 35 8.504 1.324 -4.195
242 H THR 36 H THR 36 9.413 8.492 -5.368
243 HA THR 36 HA THR 36 11.711 9.284 -7.022
244 HB THR 36 HB THR 36 10.379 11.369 -7.466
245 HG1 THR 36 HG1 THR 36 8.952 10.686 -5.500
246 HG21 THR 36 3HG2 THR 36 9.585 10.385 -9.316
247 HG22 THR 36 1HG2 THR 36 8.534 9.310 -8.396
248 HG23 THR 36 2HG2 THR 36 10.227 8.885 -8.648
249 H GLY 37 H GLY 37 13.092 9.294 -5.116
250 HA2 GLY 37 1HA GLY 37 13.600 11.823 -4.110
251 HA3 GLY 37 2HA GLY 37 12.583 11.028 -2.918
252 H GLU 38 H GLU 38 15.209 9.796 -4.979
253 HA GLU 38 HA GLU 38 16.950 8.403 -4.434
254 HB2 GLU 38 1HB GLU 38 17.192 10.861 -2.771
255 HB3 GLU 38 2HB GLU 38 18.294 9.535 -2.430
256 HG2 GLU 38 1HG GLU 38 19.157 11.265 -4.012
257 HG3 GLU 38 2HG GLU 38 19.207 9.608 -4.610
258 H LYS 39 H LYS 39 14.569 7.489 -3.289
259 HA LYS 39 HA LYS 39 15.531 6.395 -0.726
260 HB2 LYS 39 1HB LYS 39 13.586 7.896 -0.448
261 HB3 LYS 39 2HB LYS 39 12.663 6.886 -1.553
262 HG2 LYS 39 1HG LYS 39 13.075 4.980 0.059
263 HG3 LYS 39 2HG LYS 39 13.665 6.197 1.193
264 HD2 LYS 39 1HD LYS 39 10.969 6.413 -0.117
265 HD3 LYS 39 2HD LYS 39 11.212 5.509 1.379
266 HE2 LYS 39 1HE LYS 39 12.107 7.524 2.444
267 HE3 LYS 39 2HE LYS 39 11.864 8.424 0.947
268 HZ1 LYS 39 3HZ LYS 39 10.012 7.889 3.008
269 HZ2 LYS 39 1HZ LYS 39 9.441 7.226 1.560
270 HZ3 LYS 39 2HZ LYS 39 9.825 8.871 1.642
271 HA PRO 40 HA PRO 40 15.087 2.916 -3.754
272 HB2 PRO 40 1HB PRO 40 17.387 1.678 -3.013
273 HB3 PRO 40 2HB PRO 40 17.335 2.963 -4.225
274 HG2 PRO 40 1HG PRO 40 18.073 3.121 -1.328
275 HG3 PRO 40 2HG PRO 40 18.856 3.882 -2.725
276 HD2 PRO 40 1HD PRO 40 17.171 5.228 -1.088
277 HD3 PRO 40 2HD PRO 40 17.312 5.590 -2.820
278 H SER 41 H SER 41 13.293 2.230 -2.454
279 HA SER 41 HA SER 41 13.931 -0.059 -0.811
280 HB2 SER 41 1HB SER 41 13.945 1.939 0.751
281 HB3 SER 41 2HB SER 41 12.226 2.122 0.401
282 HG SER 41 HG SER 41 12.347 -0.324 1.015
283 H GLY 42 H GLY 42 12.697 -1.557 -1.734
284 HA2 GLY 42 1HA GLY 42 9.853 -0.917 -2.182
285 HA3 GLY 42 2HA GLY 42 10.792 -1.729 -3.426
286 HA PRO 43 HA PRO 43 9.533 -5.572 -1.718
287 HB2 PRO 43 1HB PRO 43 11.535 -7.158 -2.639
288 HB3 PRO 43 2HB PRO 43 10.258 -6.520 -3.682
289 HG2 PRO 43 1HG PRO 43 13.053 -5.524 -3.282
290 HG3 PRO 43 2HG PRO 43 12.133 -5.701 -4.788
291 HD2 PRO 43 1HD PRO 43 12.434 -3.319 -3.536
292 HD3 PRO 43 2HD PRO 43 10.976 -3.735 -4.460
293 H SER 44 H SER 44 9.864 -6.819 0.073
294 HA SER 44 HA SER 44 10.684 -7.409 2.112
295 HB2 SER 44 1HB SER 44 13.161 -7.310 0.416
296 HB3 SER 44 2HB SER 44 13.283 -7.650 2.142
297 HG SER 44 HG SER 44 11.873 -9.412 1.823
298 H SER 45 H SER 45 10.027 -4.733 1.880
299 HA SER 45 HA SER 45 12.175 -3.147 3.006
300 HB2 SER 45 1HB SER 45 10.659 -2.087 1.415
301 HB3 SER 45 2HB SER 45 9.278 -2.466 2.444
302 HG SER 45 HG SER 45 9.729 -0.477 3.090
303 H GLY 46 H GLY 46 9.035 -4.432 4.048
304 HA2 GLY 46 1HA GLY 46 9.565 -5.190 6.560
305 HA3 GLY 46 2HA GLY 46 9.441 -3.447 6.752
Start of MODEL 6
1 H1 GLY 1 H GLY 1 5.437 -21.964 5.434
2 HA2 GLY 1 1HA GLY 1 4.044 -22.982 3.130
3 HA3 GLY 1 2HA GLY 1 3.317 -22.244 4.549
4 H SER 2 H SER 2 5.485 -21.206 1.911
5 HA SER 2 HA SER 2 4.781 -18.533 1.890
6 HB2 SER 2 1HB SER 2 6.675 -19.405 0.612
7 HB3 SER 2 2HB SER 2 5.574 -20.264 -0.465
8 HG SER 2 HG SER 2 4.693 -17.904 -0.637
9 H SER 3 H SER 3 3.460 -21.092 -0.215
10 HA SER 3 HA SER 3 1.644 -19.822 -1.707
11 HB2 SER 3 1HB SER 3 1.974 -22.333 -1.493
12 HB3 SER 3 2HB SER 3 0.841 -22.279 -0.142
13 HG SER 3 HG SER 3 0.387 -21.948 -2.867
14 H GLY 4 H GLY 4 -0.512 -19.109 -1.551
15 HA2 GLY 4 1HA GLY 4 -1.911 -19.043 0.942
16 HA3 GLY 4 2HA GLY 4 -1.166 -17.494 0.576
17 H SER 5 H SER 5 -3.829 -19.522 0.045
18 HA SER 5 HA SER 5 -4.695 -18.244 -2.401
19 HB2 SER 5 1HB SER 5 -5.163 -20.696 -1.543
20 HB3 SER 5 2HB SER 5 -6.520 -19.922 -0.725
21 HG SER 5 HG SER 5 -6.048 -20.283 -3.451
22 H SER 6 H SER 6 -5.150 -16.127 -2.107
23 HA SER 6 HA SER 6 -7.538 -15.455 -0.661
24 HB2 SER 6 1HB SER 6 -5.610 -15.417 1.052
25 HB3 SER 6 2HB SER 6 -5.060 -13.973 0.202
26 HG SER 6 HG SER 6 -7.652 -14.316 1.309
27 H GLY 7 H GLY 7 -7.819 -12.934 -0.745
28 HA2 GLY 7 1HA GLY 7 -6.946 -10.984 -2.105
29 HA3 GLY 7 2HA GLY 7 -6.999 -12.105 -3.457
30 H SER 8 H SER 8 -9.267 -11.334 -0.818
31 HA SER 8 HA SER 8 -11.402 -11.149 -2.818
32 HB2 SER 8 1HB SER 8 -11.312 -11.798 0.092
33 HB3 SER 8 2HB SER 8 -12.776 -11.045 -0.540
34 HG SER 8 HG SER 8 -12.366 -12.847 -2.260
35 H GLY 9 H GLY 9 -9.643 -9.003 -2.773
36 HA2 GLY 9 1HA GLY 9 -11.383 -6.819 -2.569
37 HA3 GLY 9 2HA GLY 9 -10.420 -6.873 -1.100
38 H GLU 10 H GLU 10 -9.621 -7.546 -4.504
39 HA GLU 10 HA GLU 10 -7.107 -6.226 -4.297
40 HB2 GLU 10 1HB GLU 10 -8.637 -7.124 -6.746
41 HB3 GLU 10 2HB GLU 10 -6.956 -6.612 -6.733
42 HG2 GLU 10 1HG GLU 10 -8.143 -9.048 -5.438
43 HG3 GLU 10 2HG GLU 10 -6.989 -8.982 -6.768
44 H LYS 11 H LYS 11 -6.417 -4.313 -5.319
45 HA LYS 11 HA LYS 11 -8.583 -2.374 -5.778
46 HB2 LYS 11 1HB LYS 11 -5.713 -1.873 -4.968
47 HB3 LYS 11 2HB LYS 11 -6.947 -0.639 -5.184
48 HG2 LYS 11 1HG LYS 11 -7.018 -0.884 -2.923
49 HG3 LYS 11 2HG LYS 11 -8.229 -2.079 -3.394
50 HD2 LYS 11 1HD LYS 11 -6.458 -3.822 -3.312
51 HD3 LYS 11 2HD LYS 11 -5.340 -2.602 -2.697
52 HE2 LYS 11 1HE LYS 11 -6.896 -2.224 -0.795
53 HE3 LYS 11 2HE LYS 11 -7.884 -3.558 -1.388
54 HZ1 LYS 11 3HZ LYS 11 -5.356 -4.584 -1.255
55 HZ2 LYS 11 1HZ LYS 11 -6.603 -4.856 -0.145
56 HZ3 LYS 11 2HZ LYS 11 -5.473 -3.630 0.137
57 HA PRO 12 HA PRO 12 -7.395 -1.990 -9.997
58 HB2 PRO 12 1HB PRO 12 -8.297 0.523 -10.487
59 HB3 PRO 12 2HB PRO 12 -9.375 -0.865 -10.300
60 HG2 PRO 12 1HG PRO 12 -8.635 1.241 -8.306
61 HG3 PRO 12 2HG PRO 12 -10.225 0.534 -8.649
62 HD2 PRO 12 1HD PRO 12 -8.714 -0.233 -6.537
63 HD3 PRO 12 2HD PRO 12 -9.798 -1.350 -7.391
64 H TYR 13 H TYR 13 -6.469 0.532 -7.713
65 HA TYR 13 HA TYR 13 -4.351 1.463 -9.490
66 HB2 TYR 13 1HB TYR 13 -5.019 2.477 -6.725
67 HB3 TYR 13 2HB TYR 13 -4.062 3.287 -7.961
68 HD1 TYR 13 HD1 TYR 13 -5.148 4.336 -9.886
69 HD2 TYR 13 HD2 TYR 13 -7.432 2.489 -6.809
70 HE1 TYR 13 HE1 TYR 13 -7.166 5.476 -10.709
71 HE2 TYR 13 HE2 TYR 13 -9.457 3.623 -7.624
72 HH TYR 13 HH TYR 13 -9.864 4.833 -10.483
73 H VAL 14 H VAL 14 -2.624 0.160 -9.499
74 HA VAL 14 HA VAL 14 -1.445 -0.559 -6.897
75 HB VAL 14 HB VAL 14 -2.265 -2.618 -7.706
76 HG11 VAL 14 1HG1 VAL 14 -1.744 -3.427 -10.017
77 HG12 VAL 14 2HG1 VAL 14 -2.844 -2.048 -9.952
78 HG13 VAL 14 3HG1 VAL 14 -1.151 -1.809 -10.386
79 HG21 VAL 14 3HG2 VAL 14 0.438 -2.938 -8.847
80 HG22 VAL 14 1HG2 VAL 14 0.356 -2.267 -7.219
81 HG23 VAL 14 2HG2 VAL 14 -0.367 -3.839 -7.562
82 H CYS 15 H CYS 15 0.625 0.000 -6.633
83 HA CYS 15 HA CYS 15 1.957 1.617 -8.516
84 HB2 CYS 15 1HB CYS 15 2.401 1.827 -6.136
85 HB3 CYS 15 2HB CYS 15 3.019 0.180 -6.076
86 H ASP 16 H ASP 16 2.889 1.007 -10.341
87 HA ASP 16 HA ASP 16 3.644 -1.751 -10.778
88 HB2 ASP 16 1HB ASP 16 4.150 0.502 -12.705
89 HB3 ASP 16 2HB ASP 16 3.849 -1.199 -13.053
90 H TYR 17 H TYR 17 5.124 0.098 -8.889
91 HA TYR 17 HA TYR 17 7.790 -0.031 -10.123
92 HB2 TYR 17 1HB TYR 17 6.719 2.127 -9.021
93 HB3 TYR 17 2HB TYR 17 7.307 1.385 -7.538
94 HD1 TYR 17 HD2 TYR 17 9.709 1.102 -7.157
95 HD2 TYR 17 HD1 TYR 17 8.247 3.025 -10.659
96 HE1 TYR 17 HE2 TYR 17 11.954 2.011 -7.588
97 HE2 TYR 17 HE1 TYR 17 10.487 3.938 -11.100
98 HH TYR 17 HH TYR 17 12.618 3.976 -10.469
99 H CYS 18 H CYS 18 6.154 -0.611 -7.011
100 HA CYS 18 HA CYS 18 8.231 -2.606 -6.391
101 HB2 CYS 18 1HB CYS 18 7.699 -2.248 -4.028
102 HB3 CYS 18 2HB CYS 18 8.154 -0.733 -4.801
103 H GLY 19 H GLY 19 4.759 -1.931 -6.275
104 HA2 GLY 19 1HA GLY 19 3.330 -3.794 -7.069
105 HA3 GLY 19 2HA GLY 19 4.305 -4.843 -6.051
106 H LYS 20 H LYS 20 2.833 -1.669 -5.418
107 HA LYS 20 HA LYS 20 1.535 -2.854 -3.059
108 HB2 LYS 20 1HB LYS 20 3.204 -0.801 -3.010
109 HB3 LYS 20 2HB LYS 20 1.757 0.100 -3.444
110 HG2 LYS 20 1HG LYS 20 0.721 -0.329 -1.435
111 HG3 LYS 20 2HG LYS 20 1.676 -1.782 -1.131
112 HD2 LYS 20 1HD LYS 20 3.675 -0.319 -0.832
113 HD3 LYS 20 2HD LYS 20 2.608 1.082 -0.961
114 HE2 LYS 20 1HE LYS 20 2.506 -1.089 1.130
115 HE3 LYS 20 2HE LYS 20 3.014 0.583 1.366
116 HZ1 LYS 20 3HZ LYS 20 0.413 -0.502 1.469
117 HZ2 LYS 20 1HZ LYS 20 0.478 0.662 0.244
118 HZ3 LYS 20 2HZ LYS 20 0.919 1.072 1.825
119 H ALA 21 H ALA 21 -0.639 -2.582 -2.689
120 HA ALA 21 HA ALA 21 -2.204 -1.707 -5.009
121 HB1 ALA 21 3HB ALA 21 -3.952 -3.083 -4.252
122 HB2 ALA 21 1HB ALA 21 -2.480 -4.017 -3.983
123 HB3 ALA 21 2HB ALA 21 -3.268 -3.203 -2.631
124 H PHE 22 H PHE 22 -3.974 -0.302 -4.791
125 HA PHE 22 HA PHE 22 -4.410 1.024 -2.243
126 HB2 PHE 22 1HB PHE 22 -3.653 2.655 -4.671
127 HB3 PHE 22 2HB PHE 22 -3.946 3.243 -3.038
128 HD1 PHE 22 HD2 PHE 22 -2.301 2.873 -1.270
129 HD2 PHE 22 HD1 PHE 22 -1.565 1.665 -5.284
130 HE1 PHE 22 HE2 PHE 22 0.095 2.648 -0.760
131 HE2 PHE 22 HE1 PHE 22 0.832 1.437 -4.780
132 HZ PHE 22 HZ PHE 22 1.666 1.930 -2.516
133 H GLY 23 H GLY 23 -6.521 1.329 -1.981
134 HA2 GLY 23 1HA GLY 23 -8.317 0.932 -4.213
135 HA3 GLY 23 2HA GLY 23 -8.773 1.157 -2.530
136 H LEU 24 H LEU 24 -6.629 3.388 -4.129
137 HA LEU 24 HA LEU 24 -8.662 5.229 -4.935
138 HB2 LEU 24 1HB LEU 24 -8.768 5.527 -2.508
139 HB3 LEU 24 2HB LEU 24 -7.042 5.879 -2.476
140 HG LEU 24 HG LEU 24 -7.573 7.870 -3.966
141 HD11 LEU 24 1HD1 LEU 24 -10.370 7.463 -2.941
142 HD12 LEU 24 2HD1 LEU 24 -9.860 6.974 -4.557
143 HD13 LEU 24 3HD1 LEU 24 -9.789 8.673 -4.086
144 HD21 LEU 24 3HD2 LEU 24 -8.997 8.370 -1.448
145 HD22 LEU 24 1HD2 LEU 24 -7.566 9.150 -2.121
146 HD23 LEU 24 2HD2 LEU 24 -7.413 7.613 -1.270
147 H SER 25 H SER 25 -7.876 6.647 -6.393
148 HA SER 25 HA SER 25 -5.403 6.310 -7.569
149 HB2 SER 25 1HB SER 25 -7.471 8.450 -7.646
150 HB3 SER 25 2HB SER 25 -5.884 8.834 -8.312
151 HG SER 25 HG SER 25 -7.803 7.021 -9.201
152 H ALA 26 H ALA 26 -6.367 8.881 -5.299
153 HA ALA 26 HA ALA 26 -3.976 10.249 -5.131
154 HB1 ALA 26 3HB ALA 26 -4.946 11.388 -3.453
155 HB2 ALA 26 1HB ALA 26 -6.380 10.468 -3.908
156 HB3 ALA 26 2HB ALA 26 -5.372 9.925 -2.566
157 H GLU 27 H GLU 27 -5.044 7.534 -3.082
158 HA GLU 27 HA GLU 27 -2.907 7.288 -1.401
159 HB2 GLU 27 1HB GLU 27 -4.721 5.264 -2.655
160 HB3 GLU 27 2HB GLU 27 -3.372 4.718 -1.669
161 HG2 GLU 27 1HG GLU 27 -4.340 6.435 0.055
162 HG3 GLU 27 2HG GLU 27 -5.819 6.210 -0.877
163 H LEU 28 H LEU 28 -3.114 6.244 -4.758
164 HA LEU 28 HA LEU 28 -0.557 4.941 -4.740
165 HB2 LEU 28 1HB LEU 28 -2.177 4.139 -6.280
166 HB3 LEU 28 2HB LEU 28 -2.446 5.753 -6.935
167 HG LEU 28 HG LEU 28 -0.091 5.669 -7.821
168 HD11 LEU 28 1HD1 LEU 28 0.968 4.018 -6.552
169 HD12 LEU 28 2HD1 LEU 28 0.737 3.271 -8.132
170 HD13 LEU 28 3HD1 LEU 28 -0.340 2.861 -6.797
171 HD21 LEU 28 3HD2 LEU 28 -1.230 5.239 -9.677
172 HD22 LEU 28 1HD2 LEU 28 -2.474 4.378 -8.770
173 HD23 LEU 28 2HD2 LEU 28 -1.045 3.517 -9.342
174 H VAL 29 H VAL 29 -1.810 8.000 -6.048
175 HA VAL 29 HA VAL 29 0.497 8.954 -7.246
176 HB VAL 29 HB VAL 29 -1.617 10.549 -5.791
177 HG11 VAL 29 1HG1 VAL 29 0.333 11.477 -7.896
178 HG12 VAL 29 2HG1 VAL 29 -0.871 12.457 -7.055
179 HG13 VAL 29 3HG1 VAL 29 0.500 11.788 -6.168
180 HG21 VAL 29 3HG2 VAL 29 -1.961 8.947 -7.962
181 HG22 VAL 29 1HG2 VAL 29 -2.933 10.375 -7.604
182 HG23 VAL 29 2HG2 VAL 29 -1.576 10.490 -8.725
183 H ARG 30 H ARG 30 -0.533 9.230 -3.867
184 HA ARG 30 HA ARG 30 1.686 10.818 -3.055
185 HB2 ARG 30 1HB ARG 30 -0.172 9.090 -1.410
186 HB3 ARG 30 2HB ARG 30 0.948 10.281 -0.763
187 HG2 ARG 30 1HG ARG 30 -0.348 11.911 -2.351
188 HG3 ARG 30 2HG ARG 30 -1.608 10.681 -2.230
189 HD2 ARG 30 1HD ARG 30 -1.820 10.962 0.083
190 HD3 ARG 30 2HD ARG 30 -0.268 11.787 0.214
191 HE ARG 30 HE ARG 30 -2.795 12.975 -0.355
192 HH11 ARG 30 1HH1 ARG 30 0.621 13.231 -0.981
193 HH12 ARG 30 2HH1 ARG 30 0.570 14.936 -1.284
194 HH21 ARG 30 1HH2 ARG 30 -2.874 15.220 -0.753
195 HH22 ARG 30 2HH2 ARG 30 -1.418 16.067 -1.153
196 H HIS 31 H HIS 31 1.010 7.360 -3.089
197 HA HIS 31 HA HIS 31 3.245 6.537 -1.579
198 HB2 HIS 31 1HB HIS 31 1.536 4.937 -1.849
199 HB3 HIS 31 2HB HIS 31 1.492 5.152 -3.596
200 HD1 HIS 31 HD1 HIS 31 3.562 3.550 -0.887
201 HD2 HIS 31 HD2 HIS 31 3.215 3.541 -5.027
202 HE1 HIS 31 HE1 HIS 31 5.023 1.663 -1.680
203 H GLN 32 H GLN 32 2.760 6.356 -5.112
204 HA GLN 32 HA GLN 32 5.172 5.540 -5.976
205 HB2 GLN 32 1HB GLN 32 3.357 7.662 -7.084
206 HB3 GLN 32 2HB GLN 32 4.854 7.242 -7.905
207 HG2 GLN 32 1HG GLN 32 4.030 4.845 -7.871
208 HG3 GLN 32 2HG GLN 32 2.466 5.502 -7.391
209 HE21 GLN 32 1HE2 GLN 32 2.552 4.085 -9.649
210 HE22 GLN 32 2HE2 GLN 32 2.412 5.108 -11.034
211 H ARG 33 H ARG 33 4.509 8.558 -4.413
212 HA ARG 33 HA ARG 33 6.600 10.164 -5.190
213 HB2 ARG 33 1HB ARG 33 5.563 9.850 -2.367
214 HB3 ARG 33 2HB ARG 33 6.436 11.238 -3.002
215 HG2 ARG 33 1HG ARG 33 3.918 10.410 -4.348
216 HG3 ARG 33 2HG ARG 33 3.819 11.242 -2.795
217 HD2 ARG 33 1HD ARG 33 5.315 12.253 -5.211
218 HD3 ARG 33 2HD ARG 33 3.701 12.776 -4.733
219 HE ARG 33 HE ARG 33 5.700 13.085 -2.682
220 HH11 ARG 33 1HH1 ARG 33 4.135 14.548 -5.427
221 HH12 ARG 33 2HH1 ARG 33 4.513 16.168 -4.943
222 HH21 ARG 33 1HH2 ARG 33 6.203 15.213 -2.035
223 HH22 ARG 33 2HH2 ARG 33 5.689 16.546 -3.014
224 H ILE 34 H ILE 34 6.632 7.685 -2.642
225 HA ILE 34 HA ILE 34 9.240 8.018 -1.756
226 HB ILE 34 HB ILE 34 9.150 5.762 -0.914
227 HG12 ILE 34 1HG1 ILE 34 6.550 5.200 -2.267
228 HG13 ILE 34 2HG1 ILE 34 8.029 5.006 -3.200
229 HG21 ILE 34 1HG2 ILE 34 7.867 6.823 0.588
230 HG22 ILE 34 2HG2 ILE 34 6.876 7.587 -0.654
231 HG23 ILE 34 3HG2 ILE 34 6.541 5.929 -0.155
232 HD11 ILE 34 3HD1 ILE 34 6.887 3.091 -1.652
233 HD12 ILE 34 1HD1 ILE 34 8.580 3.120 -2.144
234 HD13 ILE 34 2HD1 ILE 34 8.109 3.750 -0.565
235 H HIS 35 H HIS 35 8.119 6.841 -4.762
236 HA HIS 35 HA HIS 35 10.651 5.505 -5.362
237 HB2 HIS 35 1HB HIS 35 8.046 5.677 -6.885
238 HB3 HIS 35 2HB HIS 35 9.491 4.889 -7.510
239 HD1 HIS 35 HD1 HIS 35 10.384 3.337 -5.025
240 HD2 HIS 35 HD2 HIS 35 6.446 3.551 -6.332
241 HE1 HIS 35 HE1 HIS 35 9.246 1.309 -4.067
242 H THR 36 H THR 36 8.869 8.402 -6.044
243 HA THR 36 HA THR 36 10.821 9.182 -8.096
244 HB THR 36 HB THR 36 9.262 11.010 -8.651
245 HG1 THR 36 HG1 THR 36 8.040 11.476 -6.944
246 HG21 THR 36 3HG2 THR 36 7.283 8.959 -8.839
247 HG22 THR 36 1HG2 THR 36 8.874 8.242 -9.090
248 HG23 THR 36 2HG2 THR 36 8.344 9.588 -10.099
249 H GLY 37 H GLY 37 12.563 9.848 -6.881
250 HA2 GLY 37 1HA GLY 37 13.111 12.305 -6.181
251 HA3 GLY 37 2HA GLY 37 12.106 11.871 -4.806
252 H GLU 38 H GLU 38 14.528 12.663 -4.155
253 HA GLU 38 HA GLU 38 16.172 10.248 -3.832
254 HB2 GLU 38 1HB GLU 38 17.173 12.341 -4.850
255 HB3 GLU 38 2HB GLU 38 16.998 13.095 -3.272
256 HG2 GLU 38 1HG GLU 38 18.434 11.345 -2.305
257 HG3 GLU 38 2HG GLU 38 18.655 10.667 -3.917
258 H LYS 39 H LYS 39 15.252 9.250 -2.087
259 HA LYS 39 HA LYS 39 15.449 10.702 0.463
260 HB2 LYS 39 1HB LYS 39 13.228 8.782 -0.258
261 HB3 LYS 39 2HB LYS 39 13.402 9.660 1.256
262 HG2 LYS 39 1HG LYS 39 13.064 11.016 -1.405
263 HG3 LYS 39 2HG LYS 39 11.715 10.586 -0.352
264 HD2 LYS 39 1HD LYS 39 13.993 12.160 0.764
265 HD3 LYS 39 2HD LYS 39 12.790 12.976 -0.239
266 HE2 LYS 39 1HE LYS 39 12.001 13.229 1.951
267 HE3 LYS 39 2HE LYS 39 11.048 11.902 1.289
268 HZ1 LYS 39 3HZ LYS 39 12.257 11.770 3.633
269 HZ2 LYS 39 1HZ LYS 39 13.510 11.178 2.663
270 HZ3 LYS 39 2HZ LYS 39 12.005 10.408 2.662
271 HA PRO 40 HA PRO 40 17.826 7.235 1.768
272 HB2 PRO 40 1HB PRO 40 17.528 7.492 4.455
273 HB3 PRO 40 2HB PRO 40 18.548 8.569 3.494
274 HG2 PRO 40 1HG PRO 40 15.763 8.999 4.502
275 HG3 PRO 40 2HG PRO 40 17.131 10.126 4.480
276 HD2 PRO 40 1HD PRO 40 15.145 10.210 2.641
277 HD3 PRO 40 2HD PRO 40 16.820 10.658 2.259
278 H SER 41 H SER 41 17.379 5.127 1.883
279 HA SER 41 HA SER 41 14.944 4.264 3.288
280 HB2 SER 41 1HB SER 41 14.470 2.647 1.512
281 HB3 SER 41 2HB SER 41 14.503 4.283 0.855
282 HG SER 41 HG SER 41 15.706 3.036 -0.510
283 H GLY 42 H GLY 42 15.655 3.122 4.969
284 HA2 GLY 42 1HA GLY 42 18.162 1.902 5.195
285 HA3 GLY 42 2HA GLY 42 16.766 1.534 6.198
286 HA PRO 43 HA PRO 43 16.580 -2.477 4.441
287 HB2 PRO 43 1HB PRO 43 13.921 -2.995 4.619
288 HB3 PRO 43 2HB PRO 43 14.990 -2.963 6.027
289 HG2 PRO 43 1HG PRO 43 13.136 -0.845 5.007
290 HG3 PRO 43 2HG PRO 43 13.418 -1.377 6.675
291 HD2 PRO 43 1HD PRO 43 14.540 0.865 5.653
292 HD3 PRO 43 2HD PRO 43 15.346 -0.132 6.880
293 H SER 44 H SER 44 15.396 -3.787 2.753
294 HA SER 44 HA SER 44 15.260 -2.245 0.326
295 HB2 SER 44 1HB SER 44 14.988 -5.194 0.917
296 HB3 SER 44 2HB SER 44 14.798 -4.528 -0.705
297 HG SER 44 HG SER 44 16.883 -4.545 -0.834
298 H SER 45 H SER 45 13.399 -0.945 0.859
299 HA SER 45 HA SER 45 10.838 -2.383 0.760
300 HB2 SER 45 1HB SER 45 11.405 0.479 1.571
301 HB3 SER 45 2HB SER 45 9.830 -0.313 1.623
302 HG SER 45 HG SER 45 10.399 -1.350 3.380
303 H GLY 46 H GLY 46 12.609 0.323 -0.691
304 HA2 GLY 46 1HA GLY 46 10.596 0.985 -2.586
305 HA3 GLY 46 2HA GLY 46 12.282 1.475 -2.654
Start of MODEL 7
1 H1 GLY 1 H GLY 1 3.359 -20.597 9.225
2 HA2 GLY 1 1HA GLY 1 0.933 -21.749 10.092
3 HA3 GLY 1 2HA GLY 1 1.086 -20.143 10.787
4 H SER 2 H SER 2 -0.883 -19.740 9.520
5 HA SER 2 HA SER 2 -0.181 -18.592 6.950
6 HB2 SER 2 1HB SER 2 -2.361 -20.678 7.205
7 HB3 SER 2 2HB SER 2 -2.073 -19.685 5.777
8 HG SER 2 HG SER 2 0.215 -20.666 6.141
9 H SER 3 H SER 3 -1.107 -16.664 6.765
10 HA SER 3 HA SER 3 -3.655 -16.168 8.145
11 HB2 SER 3 1HB SER 3 -1.070 -14.715 8.457
12 HB3 SER 3 2HB SER 3 -2.554 -13.762 8.466
13 HG SER 3 HG SER 3 -1.522 -15.244 10.426
14 H GLY 4 H GLY 4 -5.084 -14.852 7.088
15 HA2 GLY 4 1HA GLY 4 -5.196 -12.939 5.420
16 HA3 GLY 4 2HA GLY 4 -4.263 -14.007 4.381
17 H SER 5 H SER 5 -6.996 -14.766 6.511
18 HA SER 5 HA SER 5 -8.378 -15.898 4.181
19 HB2 SER 5 1HB SER 5 -8.780 -16.382 7.143
20 HB3 SER 5 2HB SER 5 -9.743 -17.126 5.866
21 HG SER 5 HG SER 5 -7.361 -17.881 6.823
22 H SER 6 H SER 6 -8.451 -13.150 4.359
23 HA SER 6 HA SER 6 -10.970 -12.401 5.607
24 HB2 SER 6 1HB SER 6 -9.011 -10.883 5.743
25 HB3 SER 6 2HB SER 6 -9.045 -10.714 3.988
26 HG SER 6 HG SER 6 -11.163 -9.842 4.212
27 H GLY 7 H GLY 7 -9.554 -12.044 2.346
28 HA2 GLY 7 1HA GLY 7 -10.525 -12.336 0.272
29 HA3 GLY 7 2HA GLY 7 -11.927 -13.025 1.077
30 H SER 8 H SER 8 -10.417 -9.809 1.278
31 HA SER 8 HA SER 8 -12.979 -8.525 1.221
32 HB2 SER 8 1HB SER 8 -11.219 -7.527 2.540
33 HB3 SER 8 2HB SER 8 -10.165 -7.416 1.131
34 HG SER 8 HG SER 8 -11.066 -5.581 0.703
35 H GLY 9 H GLY 9 -10.163 -8.465 -0.972
36 HA2 GLY 9 1HA GLY 9 -11.078 -8.901 -3.377
37 HA3 GLY 9 2HA GLY 9 -11.890 -7.372 -3.078
38 H GLU 10 H GLU 10 -9.773 -8.219 -5.032
39 HA GLU 10 HA GLU 10 -7.353 -6.916 -4.305
40 HB2 GLU 10 1HB GLU 10 -8.491 -7.846 -6.933
41 HB3 GLU 10 2HB GLU 10 -6.949 -7.006 -6.837
42 HG2 GLU 10 1HG GLU 10 -6.345 -9.237 -6.834
43 HG3 GLU 10 2HG GLU 10 -6.306 -8.807 -5.125
44 H LYS 11 H LYS 11 -6.643 -4.872 -4.675
45 HA LYS 11 HA LYS 11 -8.624 -2.845 -5.120
46 HB2 LYS 11 1HB LYS 11 -5.642 -2.427 -4.967
47 HB3 LYS 11 2HB LYS 11 -6.916 -1.275 -4.587
48 HG2 LYS 11 1HG LYS 11 -6.304 -3.782 -3.034
49 HG3 LYS 11 2HG LYS 11 -5.835 -2.143 -2.577
50 HD2 LYS 11 1HD LYS 11 -8.708 -2.685 -3.129
51 HD3 LYS 11 2HD LYS 11 -8.021 -3.281 -1.616
52 HE2 LYS 11 1HE LYS 11 -7.469 -0.467 -2.398
53 HE3 LYS 11 2HE LYS 11 -9.085 -0.863 -1.817
54 HZ1 LYS 11 3HZ LYS 11 -8.305 -0.778 0.237
55 HZ2 LYS 11 1HZ LYS 11 -6.740 -0.466 -0.324
56 HZ3 LYS 11 2HZ LYS 11 -7.253 -2.061 -0.094
57 HA PRO 12 HA PRO 12 -8.171 -2.290 -9.459
58 HB2 PRO 12 1HB PRO 12 -8.876 0.323 -9.663
59 HB3 PRO 12 2HB PRO 12 -10.044 -0.964 -9.341
60 HG2 PRO 12 1HG PRO 12 -8.740 0.933 -7.428
61 HG3 PRO 12 2HG PRO 12 -10.430 0.404 -7.501
62 HD2 PRO 12 1HD PRO 12 -8.654 -0.635 -5.741
63 HD3 PRO 12 2HD PRO 12 -9.985 -1.587 -6.428
64 H TYR 13 H TYR 13 -6.690 0.150 -7.353
65 HA TYR 13 HA TYR 13 -4.781 0.868 -9.432
66 HB2 TYR 13 1HB TYR 13 -4.977 1.931 -6.609
67 HB3 TYR 13 2HB TYR 13 -4.075 2.637 -7.946
68 HD1 TYR 13 HD1 TYR 13 -5.250 3.790 -9.766
69 HD2 TYR 13 HD2 TYR 13 -7.358 2.235 -6.414
70 HE1 TYR 13 HE1 TYR 13 -7.206 5.151 -10.373
71 HE2 TYR 13 HE2 TYR 13 -9.321 3.591 -7.011
72 HH TYR 13 HH TYR 13 -9.220 5.882 -9.704
73 H VAL 14 H VAL 14 -2.720 0.205 -9.508
74 HA VAL 14 HA VAL 14 -1.468 -0.975 -7.154
75 HB VAL 14 HB VAL 14 -1.725 -2.480 -9.761
76 HG11 VAL 14 1HG1 VAL 14 -0.628 -3.990 -7.576
77 HG12 VAL 14 2HG1 VAL 14 0.044 -3.693 -9.180
78 HG13 VAL 14 3HG1 VAL 14 0.343 -2.548 -7.872
79 HG21 VAL 14 3HG2 VAL 14 -3.751 -2.574 -8.401
80 HG22 VAL 14 1HG2 VAL 14 -2.937 -4.138 -8.433
81 HG23 VAL 14 2HG2 VAL 14 -2.803 -3.103 -7.011
82 H CYS 15 H CYS 15 0.528 -0.215 -6.980
83 HA CYS 15 HA CYS 15 1.725 1.383 -8.987
84 HB2 CYS 15 1HB CYS 15 2.278 1.909 -6.747
85 HB3 CYS 15 2HB CYS 15 2.730 0.246 -6.384
86 H ASP 16 H ASP 16 3.790 1.024 -10.027
87 HA ASP 16 HA ASP 16 4.139 -1.797 -10.779
88 HB2 ASP 16 1HB ASP 16 5.464 -0.667 -12.724
89 HB3 ASP 16 2HB ASP 16 3.703 -0.654 -12.754
90 H TYR 17 H TYR 17 5.814 1.054 -9.615
91 HA TYR 17 HA TYR 17 8.454 0.281 -9.883
92 HB2 TYR 17 1HB TYR 17 7.401 2.470 -8.932
93 HB3 TYR 17 2HB TYR 17 7.522 1.649 -7.380
94 HD1 TYR 17 HD2 TYR 17 9.928 0.537 -6.965
95 HD2 TYR 17 HD1 TYR 17 9.155 3.832 -9.544
96 HE1 TYR 17 HE2 TYR 17 12.281 1.228 -6.779
97 HE2 TYR 17 HE1 TYR 17 11.506 4.531 -9.365
98 HH TYR 17 HH TYR 17 13.513 4.050 -8.549
99 H CYS 18 H CYS 18 6.418 -0.193 -6.990
100 HA CYS 18 HA CYS 18 8.248 -2.325 -6.135
101 HB2 CYS 18 1HB CYS 18 7.208 -2.071 -3.915
102 HB3 CYS 18 2HB CYS 18 7.883 -0.552 -4.496
103 H GLY 19 H GLY 19 4.777 -1.615 -6.471
104 HA2 GLY 19 1HA GLY 19 3.406 -3.297 -7.608
105 HA3 GLY 19 2HA GLY 19 4.331 -4.522 -6.752
106 H LYS 20 H LYS 20 3.000 -1.530 -5.424
107 HA LYS 20 HA LYS 20 1.662 -3.071 -3.357
108 HB2 LYS 20 1HB LYS 20 2.406 -0.218 -3.753
109 HB3 LYS 20 2HB LYS 20 1.020 -0.554 -2.724
110 HG2 LYS 20 1HG LYS 20 2.456 -2.067 -1.378
111 HG3 LYS 20 2HG LYS 20 3.834 -1.559 -2.357
112 HD2 LYS 20 1HD LYS 20 3.792 0.608 -1.513
113 HD3 LYS 20 2HD LYS 20 2.114 0.473 -0.983
114 HE2 LYS 20 1HE LYS 20 3.347 0.372 0.998
115 HE3 LYS 20 2HE LYS 20 2.974 -1.314 0.641
116 HZ1 LYS 20 3HZ LYS 20 5.169 -1.620 -0.236
117 HZ2 LYS 20 1HZ LYS 20 5.299 -0.951 1.313
118 HZ3 LYS 20 2HZ LYS 20 5.534 0.022 -0.051
119 H ALA 21 H ALA 21 -0.580 -2.338 -2.699
120 HA ALA 21 HA ALA 21 -2.230 -1.857 -5.095
121 HB1 ALA 21 3HB ALA 21 -2.227 -4.221 -4.037
122 HB2 ALA 21 1HB ALA 21 -3.229 -3.478 -2.789
123 HB3 ALA 21 2HB ALA 21 -3.765 -3.473 -4.469
124 H PHE 22 H PHE 22 -3.567 -0.173 -4.986
125 HA PHE 22 HA PHE 22 -4.294 0.878 -2.335
126 HB2 PHE 22 1HB PHE 22 -3.606 2.540 -4.767
127 HB3 PHE 22 2HB PHE 22 -4.076 3.156 -3.186
128 HD1 PHE 22 HD2 PHE 22 -2.542 3.044 -1.300
129 HD2 PHE 22 HD1 PHE 22 -1.397 1.694 -5.171
130 HE1 PHE 22 HE2 PHE 22 -0.182 3.067 -0.606
131 HE2 PHE 22 HE1 PHE 22 0.965 1.713 -4.483
132 HZ PHE 22 HZ PHE 22 1.575 2.402 -2.198
133 H GLY 23 H GLY 23 -6.342 1.817 -2.144
134 HA2 GLY 23 1HA GLY 23 -8.253 0.861 -4.124
135 HA3 GLY 23 2HA GLY 23 -8.633 1.506 -2.534
136 H LEU 24 H LEU 24 -6.912 3.879 -3.002
137 HA LEU 24 HA LEU 24 -8.718 5.317 -4.834
138 HB2 LEU 24 1HB LEU 24 -8.616 5.775 -2.238
139 HB3 LEU 24 2HB LEU 24 -7.208 6.732 -2.693
140 HG LEU 24 HG LEU 24 -9.881 7.162 -3.992
141 HD11 LEU 24 1HD1 LEU 24 -10.670 7.760 -1.986
142 HD12 LEU 24 2HD1 LEU 24 -9.656 9.188 -2.185
143 HD13 LEU 24 3HD1 LEU 24 -9.064 7.810 -1.258
144 HD21 LEU 24 3HD2 LEU 24 -7.356 8.765 -3.675
145 HD22 LEU 24 1HD2 LEU 24 -8.881 9.479 -4.197
146 HD23 LEU 24 2HD2 LEU 24 -8.124 8.214 -5.165
147 H SER 25 H SER 25 -7.858 6.572 -6.404
148 HA SER 25 HA SER 25 -5.326 6.124 -7.391
149 HB2 SER 25 1HB SER 25 -5.659 8.150 -8.768
150 HB3 SER 25 2HB SER 25 -7.105 7.142 -8.728
151 HG SER 25 HG SER 25 -7.641 9.319 -8.398
152 H ALA 26 H ALA 26 -6.369 9.080 -5.683
153 HA ALA 26 HA ALA 26 -4.077 10.476 -5.483
154 HB1 ALA 26 3HB ALA 26 -5.899 10.023 -3.125
155 HB2 ALA 26 1HB ALA 26 -4.865 11.421 -3.422
156 HB3 ALA 26 2HB ALA 26 -6.253 11.112 -4.466
157 H GLU 27 H GLU 27 -4.975 7.861 -3.231
158 HA GLU 27 HA GLU 27 -2.760 7.870 -1.604
159 HB2 GLU 27 1HB GLU 27 -4.325 5.487 -2.607
160 HB3 GLU 27 2HB GLU 27 -3.189 5.437 -1.267
161 HG2 GLU 27 1HG GLU 27 -5.630 7.191 -1.343
162 HG3 GLU 27 2HG GLU 27 -5.574 5.597 -0.594
163 H LEU 28 H LEU 28 -3.158 6.084 -4.655
164 HA LEU 28 HA LEU 28 -0.644 4.872 -4.702
165 HB2 LEU 28 1HB LEU 28 -2.293 4.102 -6.206
166 HB3 LEU 28 2HB LEU 28 -2.524 5.710 -6.890
167 HG LEU 28 HG LEU 28 -0.233 5.546 -7.866
168 HD11 LEU 28 1HD1 LEU 28 0.087 2.755 -7.908
169 HD12 LEU 28 2HD1 LEU 28 -0.157 3.206 -6.221
170 HD13 LEU 28 3HD1 LEU 28 1.137 3.956 -7.155
171 HD21 LEU 28 3HD2 LEU 28 -0.970 3.598 -9.475
172 HD22 LEU 28 1HD2 LEU 28 -1.824 5.141 -9.460
173 HD23 LEU 28 2HD2 LEU 28 -2.495 3.754 -8.601
174 H VAL 29 H VAL 29 -1.704 7.951 -6.130
175 HA VAL 29 HA VAL 29 0.721 8.677 -7.311
176 HB VAL 29 HB VAL 29 -1.383 10.503 -6.140
177 HG11 VAL 29 1HG1 VAL 29 0.439 11.891 -6.491
178 HG12 VAL 29 2HG1 VAL 29 0.989 10.982 -7.901
179 HG13 VAL 29 3HG1 VAL 29 -0.436 12.016 -8.017
180 HG21 VAL 29 3HG2 VAL 29 -2.697 9.888 -7.822
181 HG22 VAL 29 1HG2 VAL 29 -1.453 10.366 -8.977
182 HG23 VAL 29 2HG2 VAL 29 -1.483 8.720 -8.345
183 H ARG 30 H ARG 30 -0.568 9.516 -4.099
184 HA ARG 30 HA ARG 30 1.707 10.987 -3.281
185 HB2 ARG 30 1HB ARG 30 -0.674 9.818 -1.911
186 HB3 ARG 30 2HB ARG 30 0.686 10.342 -0.927
187 HG2 ARG 30 1HG ARG 30 -0.859 12.139 -1.031
188 HG3 ARG 30 2HG ARG 30 0.523 12.575 -2.038
189 HD2 ARG 30 1HD ARG 30 -0.807 11.671 -4.000
190 HD3 ARG 30 2HD ARG 30 -2.195 11.631 -2.914
191 HE ARG 30 HE ARG 30 -2.303 13.935 -2.996
192 HH11 ARG 30 1HH1 ARG 30 0.619 12.814 -4.520
193 HH12 ARG 30 2HH1 ARG 30 1.000 14.354 -5.218
194 HH21 ARG 30 1HH2 ARG 30 -1.812 15.967 -3.908
195 HH22 ARG 30 2HH2 ARG 30 -0.383 16.147 -4.868
196 H HIS 31 H HIS 31 1.207 7.673 -3.690
197 HA HIS 31 HA HIS 31 3.063 6.815 -1.641
198 HB2 HIS 31 1HB HIS 31 1.491 5.162 -1.941
199 HB3 HIS 31 2HB HIS 31 1.343 5.466 -3.669
200 HD1 HIS 31 HD1 HIS 31 3.776 3.885 -1.223
201 HD2 HIS 31 HD2 HIS 31 2.716 3.717 -5.237
202 HE1 HIS 31 HE1 HIS 31 5.094 1.972 -2.187
203 H GLN 32 H GLN 32 2.982 6.539 -5.200
204 HA GLN 32 HA GLN 32 5.451 5.579 -5.729
205 HB2 GLN 32 1HB GLN 32 4.121 7.861 -7.199
206 HB3 GLN 32 2HB GLN 32 5.419 6.859 -7.835
207 HG2 GLN 32 1HG GLN 32 3.834 4.889 -7.422
208 HG3 GLN 32 2HG GLN 32 2.575 6.114 -7.277
209 HE21 GLN 32 1HE2 GLN 32 1.439 5.706 -9.087
210 HE22 GLN 32 2HE2 GLN 32 2.072 5.842 -10.689
211 H ARG 33 H ARG 33 4.719 8.664 -4.362
212 HA ARG 33 HA ARG 33 6.901 10.209 -4.976
213 HB2 ARG 33 1HB ARG 33 5.393 9.946 -2.377
214 HB3 ARG 33 2HB ARG 33 6.626 11.171 -2.642
215 HG2 ARG 33 1HG ARG 33 5.141 11.671 -4.778
216 HG3 ARG 33 2HG ARG 33 3.891 10.953 -3.760
217 HD2 ARG 33 1HD ARG 33 4.076 12.612 -2.145
218 HD3 ARG 33 2HD ARG 33 5.692 13.081 -2.673
219 HE ARG 33 HE ARG 33 3.681 13.556 -4.658
220 HH11 ARG 33 1HH1 ARG 33 5.218 14.834 -1.808
221 HH12 ARG 33 2HH1 ARG 33 4.846 16.483 -2.189
222 HH21 ARG 33 1HH2 ARG 33 3.186 15.722 -5.171
223 HH22 ARG 33 2HH2 ARG 33 3.690 16.987 -4.101
224 H ILE 34 H ILE 34 6.681 7.644 -2.550
225 HA ILE 34 HA ILE 34 9.137 7.966 -1.303
226 HB ILE 34 HB ILE 34 9.004 5.658 -0.634
227 HG12 ILE 34 1HG1 ILE 34 6.722 5.259 -2.565
228 HG13 ILE 34 2HG1 ILE 34 8.386 4.871 -2.989
229 HG21 ILE 34 1HG2 ILE 34 6.469 7.227 -0.709
230 HG22 ILE 34 2HG2 ILE 34 6.465 5.605 -0.020
231 HG23 ILE 34 3HG2 ILE 34 7.517 6.848 0.657
232 HD11 ILE 34 3HD1 ILE 34 8.069 3.596 -0.588
233 HD12 ILE 34 1HD1 ILE 34 6.485 3.414 -1.341
234 HD13 ILE 34 2HD1 ILE 34 7.931 2.851 -2.180
235 H HIS 35 H HIS 35 8.391 6.703 -4.450
236 HA HIS 35 HA HIS 35 10.987 5.488 -4.825
237 HB2 HIS 35 1HB HIS 35 8.817 6.038 -6.860
238 HB3 HIS 35 2HB HIS 35 10.209 4.982 -7.078
239 HD1 HIS 35 HD1 HIS 35 10.078 3.386 -4.458
240 HD2 HIS 35 HD2 HIS 35 6.775 4.241 -6.829
241 HE1 HIS 35 HE1 HIS 35 8.372 1.626 -3.896
242 H THR 36 H THR 36 9.503 8.558 -5.345
243 HA THR 36 HA THR 36 11.687 9.433 -7.093
244 HB THR 36 HB THR 36 10.346 11.530 -7.337
245 HG1 THR 36 HG1 THR 36 9.169 11.075 -5.273
246 HG21 THR 36 3HG2 THR 36 8.285 10.065 -8.356
247 HG22 THR 36 1HG2 THR 36 9.554 8.848 -8.233
248 HG23 THR 36 2HG2 THR 36 9.831 10.319 -9.165
249 H GLY 37 H GLY 37 13.407 10.350 -6.197
250 HA2 GLY 37 1HA GLY 37 14.727 11.586 -4.783
251 HA3 GLY 37 2HA GLY 37 13.277 12.493 -4.378
252 H GLU 38 H GLU 38 14.995 9.472 -3.660
253 HA GLU 38 HA GLU 38 14.429 9.829 -0.842
254 HB2 GLU 38 1HB GLU 38 12.496 8.517 -1.931
255 HB3 GLU 38 2HB GLU 38 13.652 7.203 -2.086
256 HG2 GLU 38 1HG GLU 38 12.392 6.838 -0.108
257 HG3 GLU 38 2HG GLU 38 14.018 7.320 0.371
258 H LYS 39 H LYS 39 16.031 9.051 0.411
259 HA LYS 39 HA LYS 39 18.491 8.338 -0.660
260 HB2 LYS 39 1HB LYS 39 17.360 7.835 2.096
261 HB3 LYS 39 2HB LYS 39 19.046 7.573 1.670
262 HG2 LYS 39 1HG LYS 39 17.662 10.223 1.358
263 HG3 LYS 39 2HG LYS 39 18.536 9.745 2.815
264 HD2 LYS 39 1HD LYS 39 20.479 9.241 1.157
265 HD3 LYS 39 2HD LYS 39 19.586 10.306 0.069
266 HE2 LYS 39 1HE LYS 39 19.549 11.855 2.217
267 HE3 LYS 39 2HE LYS 39 20.991 10.922 2.617
268 HZ1 LYS 39 3HZ LYS 39 20.821 11.998 -0.088
269 HZ2 LYS 39 1HZ LYS 39 22.162 11.835 0.930
270 HZ3 LYS 39 2HZ LYS 39 21.078 13.113 1.158
271 HA PRO 40 HA PRO 40 18.272 4.062 -1.633
272 HB2 PRO 40 1HB PRO 40 20.810 3.275 -1.078
273 HB3 PRO 40 2HB PRO 40 20.398 4.271 -2.479
274 HG2 PRO 40 1HG PRO 40 21.512 5.101 0.173
275 HG3 PRO 40 2HG PRO 40 21.967 5.646 -1.452
276 HD2 PRO 40 1HD PRO 40 20.356 7.094 0.173
277 HD3 PRO 40 2HD PRO 40 20.192 7.109 -1.595
278 H SER 41 H SER 41 16.789 3.604 0.156
279 HA SER 41 HA SER 41 17.871 1.612 1.913
280 HB2 SER 41 1HB SER 41 17.467 2.615 4.006
281 HB3 SER 41 2HB SER 41 18.265 3.880 3.071
282 HG SER 41 HG SER 41 16.316 4.515 4.252
283 H GLY 42 H GLY 42 16.268 0.301 2.864
284 HA2 GLY 42 1HA GLY 42 13.725 0.368 3.337
285 HA3 GLY 42 2HA GLY 42 13.631 0.622 1.601
286 HA PRO 43 HA PRO 43 15.234 -3.893 2.478
287 HB2 PRO 43 1HB PRO 43 14.496 -4.873 4.899
288 HB3 PRO 43 2HB PRO 43 16.040 -4.058 4.623
289 HG2 PRO 43 1HG PRO 43 13.508 -2.974 5.797
290 HG3 PRO 43 2HG PRO 43 15.182 -2.734 6.332
291 HD2 PRO 43 1HD PRO 43 13.836 -0.884 4.884
292 HD3 PRO 43 2HD PRO 43 15.590 -1.115 4.742
293 H SER 44 H SER 44 12.285 -2.380 2.890
294 HA SER 44 HA SER 44 10.669 -4.791 2.926
295 HB2 SER 44 1HB SER 44 10.138 -2.439 3.996
296 HB3 SER 44 2HB SER 44 9.526 -2.078 2.382
297 HG SER 44 HG SER 44 7.995 -3.604 2.602
298 H SER 45 H SER 45 10.993 -1.994 0.734
299 HA SER 45 HA SER 45 9.619 -3.284 -1.401
300 HB2 SER 45 1HB SER 45 11.454 -0.880 -1.529
301 HB3 SER 45 2HB SER 45 10.257 -1.350 -2.734
302 HG SER 45 HG SER 45 9.762 0.316 -0.958
303 H GLY 46 H GLY 46 10.468 -5.092 -2.247
304 HA2 GLY 46 1HA GLY 46 13.343 -5.083 -2.917
305 HA3 GLY 46 2HA GLY 46 12.397 -6.531 -2.603
Start of MODEL 8
1 H1 GLY 1 H GLY 1 5.996 -19.521 0.486
2 HA2 GLY 1 1HA GLY 1 7.703 -21.836 1.096
3 HA3 GLY 1 2HA GLY 1 6.758 -20.926 2.265
4 H SER 2 H SER 2 6.434 -23.454 2.608
5 HA SER 2 HA SER 2 4.658 -24.860 0.963
6 HB2 SER 2 1HB SER 2 5.459 -25.074 3.841
7 HB3 SER 2 2HB SER 2 4.109 -26.043 3.249
8 HG SER 2 HG SER 2 5.832 -26.477 1.464
9 H SER 3 H SER 3 3.929 -23.206 4.041
10 HA SER 3 HA SER 3 1.099 -23.318 3.536
11 HB2 SER 3 1HB SER 3 2.717 -21.967 5.707
12 HB3 SER 3 2HB SER 3 0.955 -21.975 5.655
13 HG SER 3 HG SER 3 1.146 -23.801 6.672
14 H GLY 4 H GLY 4 -0.095 -21.867 2.490
15 HA2 GLY 4 1HA GLY 4 1.100 -19.214 1.973
16 HA3 GLY 4 2HA GLY 4 0.086 -20.065 0.816
17 H SER 5 H SER 5 -0.158 -17.392 2.140
18 HA SER 5 HA SER 5 -2.918 -17.750 3.083
19 HB2 SER 5 1HB SER 5 -0.762 -16.072 4.374
20 HB3 SER 5 2HB SER 5 -2.479 -15.847 4.706
21 HG SER 5 HG SER 5 -1.390 -18.417 4.923
22 H SER 6 H SER 6 -4.183 -15.706 2.988
23 HA SER 6 HA SER 6 -3.213 -13.611 1.260
24 HB2 SER 6 1HB SER 6 -4.084 -15.664 -0.160
25 HB3 SER 6 2HB SER 6 -5.663 -14.983 0.231
26 HG SER 6 HG SER 6 -4.941 -14.073 -1.681
27 H GLY 7 H GLY 7 -4.985 -11.974 0.831
28 HA2 GLY 7 1HA GLY 7 -7.001 -11.996 2.981
29 HA3 GLY 7 2HA GLY 7 -5.952 -10.602 2.766
30 H SER 8 H SER 8 -7.956 -9.402 2.519
31 HA SER 8 HA SER 8 -9.231 -9.782 -0.105
32 HB2 SER 8 1HB SER 8 -11.177 -8.737 0.746
33 HB3 SER 8 2HB SER 8 -10.634 -9.802 2.041
34 HG SER 8 HG SER 8 -11.153 -7.326 2.325
35 H GLY 9 H GLY 9 -6.765 -8.623 -0.193
36 HA2 GLY 9 1HA GLY 9 -7.177 -5.724 -0.277
37 HA3 GLY 9 2HA GLY 9 -5.636 -6.555 -0.425
38 H GLU 10 H GLU 10 -8.751 -6.668 -2.163
39 HA GLU 10 HA GLU 10 -7.299 -6.815 -4.685
40 HB2 GLU 10 1HB GLU 10 -10.212 -7.128 -3.969
41 HB3 GLU 10 2HB GLU 10 -9.639 -7.107 -5.631
42 HG2 GLU 10 1HG GLU 10 -8.532 -9.028 -3.617
43 HG3 GLU 10 2HG GLU 10 -10.011 -9.371 -4.513
44 H LYS 11 H LYS 11 -6.525 -4.796 -5.119
45 HA LYS 11 HA LYS 11 -8.542 -2.673 -5.457
46 HB2 LYS 11 1HB LYS 11 -5.631 -2.262 -4.758
47 HB3 LYS 11 2HB LYS 11 -6.871 -1.021 -4.877
48 HG2 LYS 11 1HG LYS 11 -6.802 -3.245 -2.847
49 HG3 LYS 11 2HG LYS 11 -6.354 -1.562 -2.557
50 HD2 LYS 11 1HD LYS 11 -8.768 -1.096 -3.485
51 HD3 LYS 11 2HD LYS 11 -9.048 -2.768 -2.994
52 HE2 LYS 11 1HE LYS 11 -8.125 -2.137 -0.736
53 HE3 LYS 11 2HE LYS 11 -8.171 -0.458 -1.272
54 HZ1 LYS 11 3HZ LYS 11 -10.497 -0.514 -1.439
55 HZ2 LYS 11 1HZ LYS 11 -10.149 -1.278 0.030
56 HZ3 LYS 11 2HZ LYS 11 -10.563 -2.200 -1.326
57 HA PRO 12 HA PRO 12 -7.357 -2.576 -9.695
58 HB2 PRO 12 1HB PRO 12 -8.147 -0.052 -10.309
59 HB3 PRO 12 2HB PRO 12 -9.285 -1.380 -10.052
60 HG2 PRO 12 1HG PRO 12 -8.447 0.788 -8.165
61 HG3 PRO 12 2HG PRO 12 -10.067 0.136 -8.471
62 HD2 PRO 12 1HD PRO 12 -8.585 -0.592 -6.325
63 HD3 PRO 12 2HD PRO 12 -9.720 -1.700 -7.122
64 H TYR 13 H TYR 13 -6.586 0.432 -7.931
65 HA TYR 13 HA TYR 13 -4.401 1.097 -9.631
66 HB2 TYR 13 1HB TYR 13 -5.047 2.110 -6.854
67 HB3 TYR 13 2HB TYR 13 -3.920 2.852 -7.984
68 HD1 TYR 13 HD1 TYR 13 -4.739 4.043 -9.957
69 HD2 TYR 13 HD2 TYR 13 -7.435 2.346 -7.136
70 HE1 TYR 13 HE1 TYR 13 -6.569 5.384 -10.908
71 HE2 TYR 13 HE2 TYR 13 -9.272 3.681 -8.080
72 HH TYR 13 HH TYR 13 -9.450 5.900 -9.389
73 H VAL 14 H VAL 14 -2.892 -0.516 -9.725
74 HA VAL 14 HA VAL 14 -1.575 -1.254 -7.194
75 HB VAL 14 HB VAL 14 -1.693 -2.785 -9.796
76 HG11 VAL 14 1HG1 VAL 14 -0.633 -4.185 -7.480
77 HG12 VAL 14 2HG1 VAL 14 -0.002 -4.077 -9.124
78 HG13 VAL 14 3HG1 VAL 14 0.361 -2.808 -7.954
79 HG21 VAL 14 3HG2 VAL 14 -3.350 -2.757 -7.438
80 HG22 VAL 14 1HG2 VAL 14 -3.578 -3.618 -8.960
81 HG23 VAL 14 2HG2 VAL 14 -2.618 -4.345 -7.671
82 H CYS 15 H CYS 15 0.187 -0.047 -6.918
83 HA CYS 15 HA CYS 15 1.581 1.453 -8.706
84 HB2 CYS 15 1HB CYS 15 1.969 1.458 -6.262
85 HB3 CYS 15 2HB CYS 15 2.807 -0.084 -6.406
86 H ASP 16 H ASP 16 2.813 1.092 -10.427
87 HA ASP 16 HA ASP 16 3.533 -1.643 -11.103
88 HB2 ASP 16 1HB ASP 16 2.497 0.100 -12.709
89 HB3 ASP 16 2HB ASP 16 4.123 0.772 -12.795
90 H TYR 17 H TYR 17 4.907 0.214 -9.047
91 HA TYR 17 HA TYR 17 7.634 0.094 -10.130
92 HB2 TYR 17 1HB TYR 17 6.503 2.200 -8.987
93 HB3 TYR 17 2HB TYR 17 7.019 1.392 -7.512
94 HD1 TYR 17 HD2 TYR 17 9.475 0.845 -7.232
95 HD2 TYR 17 HD1 TYR 17 8.033 3.418 -10.299
96 HE1 TYR 17 HE2 TYR 17 11.737 1.771 -7.511
97 HE2 TYR 17 HE1 TYR 17 10.291 4.350 -10.586
98 HH TYR 17 HH TYR 17 12.352 4.537 -9.550
99 H CYS 18 H CYS 18 5.943 -0.506 -7.045
100 HA CYS 18 HA CYS 18 7.925 -2.609 -6.473
101 HB2 CYS 18 1HB CYS 18 7.229 -2.307 -4.083
102 HB3 CYS 18 2HB CYS 18 8.005 -0.896 -4.793
103 H GLY 19 H GLY 19 4.485 -1.813 -6.444
104 HA2 GLY 19 1HA GLY 19 3.071 -3.691 -7.314
105 HA3 GLY 19 2HA GLY 19 3.908 -4.696 -6.141
106 H LYS 20 H LYS 20 3.470 -1.680 -4.820
107 HA LYS 20 HA LYS 20 1.613 -2.598 -2.894
108 HB2 LYS 20 1HB LYS 20 3.399 -0.643 -2.849
109 HB3 LYS 20 2HB LYS 20 2.020 0.324 -3.355
110 HG2 LYS 20 1HG LYS 20 0.890 -0.004 -1.372
111 HG3 LYS 20 2HG LYS 20 1.780 -1.479 -0.989
112 HD2 LYS 20 1HD LYS 20 3.677 -0.295 -0.304
113 HD3 LYS 20 2HD LYS 20 3.161 1.181 -1.123
114 HE2 LYS 20 1HE LYS 20 1.544 1.652 0.506
115 HE3 LYS 20 2HE LYS 20 1.580 0.008 1.142
116 HZ1 LYS 20 3HZ LYS 20 2.973 0.791 2.665
117 HZ2 LYS 20 1HZ LYS 20 3.189 2.257 1.849
118 HZ3 LYS 20 2HZ LYS 20 4.139 0.916 1.446
119 H ALA 21 H ALA 21 -0.525 -2.730 -2.996
120 HA ALA 21 HA ALA 21 -1.938 -1.597 -5.257
121 HB1 ALA 21 3HB ALA 21 -3.552 -2.903 -3.202
122 HB2 ALA 21 1HB ALA 21 -3.437 -3.225 -4.932
123 HB3 ALA 21 2HB ALA 21 -2.244 -3.907 -3.825
124 H PHE 22 H PHE 22 -3.992 -0.432 -4.943
125 HA PHE 22 HA PHE 22 -4.407 0.945 -2.445
126 HB2 PHE 22 1HB PHE 22 -3.597 2.536 -4.888
127 HB3 PHE 22 2HB PHE 22 -4.096 3.202 -3.337
128 HD1 PHE 22 HD2 PHE 22 -2.637 3.004 -1.374
129 HD2 PHE 22 HD1 PHE 22 -1.397 1.686 -5.227
130 HE1 PHE 22 HE2 PHE 22 -0.301 2.963 -0.604
131 HE2 PHE 22 HE1 PHE 22 0.942 1.643 -4.462
132 HZ PHE 22 HZ PHE 22 1.492 2.283 -2.149
133 H GLY 23 H GLY 23 -6.477 1.660 -2.229
134 HA2 GLY 23 1HA GLY 23 -8.343 0.866 -4.293
135 HA3 GLY 23 2HA GLY 23 -8.747 1.484 -2.698
136 H LEU 24 H LEU 24 -6.987 3.842 -3.079
137 HA LEU 24 HA LEU 24 -8.746 5.345 -4.903
138 HB2 LEU 24 1HB LEU 24 -7.556 6.012 -2.251
139 HB3 LEU 24 2HB LEU 24 -7.871 7.310 -3.401
140 HG LEU 24 HG LEU 24 -9.686 7.105 -1.798
141 HD11 LEU 24 1HD1 LEU 24 -9.935 7.093 -4.601
142 HD12 LEU 24 2HD1 LEU 24 -11.063 7.743 -3.412
143 HD13 LEU 24 3HD1 LEU 24 -11.234 6.079 -3.971
144 HD21 LEU 24 3HD2 LEU 24 -10.565 4.491 -2.870
145 HD22 LEU 24 1HD2 LEU 24 -10.756 5.182 -1.258
146 HD23 LEU 24 2HD2 LEU 24 -9.212 4.476 -1.738
147 H SER 25 H SER 25 -7.854 6.758 -6.358
148 HA SER 25 HA SER 25 -5.327 6.232 -7.383
149 HB2 SER 25 1HB SER 25 -5.614 8.392 -8.636
150 HB3 SER 25 2HB SER 25 -6.992 7.298 -8.760
151 HG SER 25 HG SER 25 -8.189 8.678 -7.696
152 H ALA 26 H ALA 26 -6.333 9.119 -5.543
153 HA ALA 26 HA ALA 26 -3.976 10.449 -5.311
154 HB1 ALA 26 3HB ALA 26 -4.809 11.478 -3.350
155 HB2 ALA 26 1HB ALA 26 -6.215 11.095 -4.344
156 HB3 ALA 26 2HB ALA 26 -5.812 10.082 -2.957
157 H GLU 27 H GLU 27 -5.010 7.689 -3.337
158 HA GLU 27 HA GLU 27 -2.887 7.631 -1.541
159 HB2 GLU 27 1HB GLU 27 -4.589 5.418 -2.680
160 HB3 GLU 27 2HB GLU 27 -3.383 5.135 -1.432
161 HG2 GLU 27 1HG GLU 27 -5.540 7.180 -1.078
162 HG3 GLU 27 2HG GLU 27 -5.813 5.476 -0.717
163 H LEU 28 H LEU 28 -3.166 6.201 -4.764
164 HA LEU 28 HA LEU 28 -0.657 4.874 -4.701
165 HB2 LEU 28 1HB LEU 28 -2.255 4.082 -6.242
166 HB3 LEU 28 2HB LEU 28 -2.512 5.689 -6.918
167 HG LEU 28 HG LEU 28 -0.152 5.560 -7.808
168 HD11 LEU 28 1HD1 LEU 28 0.703 3.219 -8.098
169 HD12 LEU 28 2HD1 LEU 28 -0.481 2.712 -6.893
170 HD13 LEU 28 3HD1 LEU 28 0.791 3.852 -6.454
171 HD21 LEU 28 3HD2 LEU 28 -0.791 4.178 -9.716
172 HD22 LEU 28 1HD2 LEU 28 -2.117 5.228 -9.219
173 HD23 LEU 28 2HD2 LEU 28 -2.142 3.517 -8.794
174 H VAL 29 H VAL 29 -1.727 7.995 -5.996
175 HA VAL 29 HA VAL 29 0.689 8.753 -7.200
176 HB VAL 29 HB VAL 29 -1.417 10.532 -5.963
177 HG11 VAL 29 1HG1 VAL 29 -0.521 12.325 -7.209
178 HG12 VAL 29 2HG1 VAL 29 0.858 11.553 -6.423
179 HG13 VAL 29 3HG1 VAL 29 0.535 11.257 -8.132
180 HG21 VAL 29 3HG2 VAL 29 -1.709 10.652 -8.687
181 HG22 VAL 29 1HG2 VAL 29 -1.323 8.952 -8.416
182 HG23 VAL 29 2HG2 VAL 29 -2.699 9.686 -7.592
183 H ARG 30 H ARG 30 -0.564 9.402 -3.938
184 HA ARG 30 HA ARG 30 1.676 10.906 -3.079
185 HB2 ARG 30 1HB ARG 30 0.729 10.810 -0.907
186 HB3 ARG 30 2HB ARG 30 -0.626 10.873 -2.026
187 HG2 ARG 30 1HG ARG 30 -1.127 8.595 -1.711
188 HG3 ARG 30 2HG ARG 30 0.417 8.288 -0.915
189 HD2 ARG 30 1HD ARG 30 -0.387 9.976 0.846
190 HD3 ARG 30 2HD ARG 30 -1.984 9.748 0.135
191 HE ARG 30 HE ARG 30 -1.009 7.220 0.655
192 HH11 ARG 30 1HH1 ARG 30 -1.755 10.087 2.484
193 HH12 ARG 30 2HH1 ARG 30 -2.159 9.218 3.928
194 HH21 ARG 30 1HH2 ARG 30 -1.538 6.065 2.549
195 HH22 ARG 30 2HH2 ARG 30 -2.034 6.931 3.964
196 H HIS 31 H HIS 31 1.102 7.529 -3.414
197 HA HIS 31 HA HIS 31 3.089 6.664 -1.536
198 HB2 HIS 31 1HB HIS 31 1.523 5.003 -1.873
199 HB3 HIS 31 2HB HIS 31 1.374 5.345 -3.594
200 HD1 HIS 31 HD1 HIS 31 3.707 3.645 -1.153
201 HD2 HIS 31 HD2 HIS 31 2.904 3.766 -5.227
202 HE1 HIS 31 HE1 HIS 31 5.093 1.807 -2.166
203 H GLN 32 H GLN 32 2.930 6.856 -5.085
204 HA GLN 32 HA GLN 32 5.403 5.857 -5.739
205 HB2 GLN 32 1HB GLN 32 3.905 8.155 -7.004
206 HB3 GLN 32 2HB GLN 32 5.309 7.382 -7.727
207 HG2 GLN 32 1HG GLN 32 4.159 5.344 -8.021
208 HG3 GLN 32 2HG GLN 32 2.830 5.862 -6.986
209 HE21 GLN 32 1HE2 GLN 32 1.891 4.971 -9.159
210 HE22 GLN 32 2HE2 GLN 32 1.493 6.189 -10.317
211 H ARG 33 H ARG 33 4.691 8.722 -4.014
212 HA ARG 33 HA ARG 33 6.777 10.420 -4.599
213 HB2 ARG 33 1HB ARG 33 5.480 9.821 -1.938
214 HB3 ARG 33 2HB ARG 33 6.607 11.148 -2.191
215 HG2 ARG 33 1HG ARG 33 4.947 11.785 -4.114
216 HG3 ARG 33 2HG ARG 33 3.816 10.817 -3.166
217 HD2 ARG 33 1HD ARG 33 3.998 12.228 -1.302
218 HD3 ARG 33 2HD ARG 33 5.471 12.983 -1.911
219 HE ARG 33 HE ARG 33 3.218 13.417 -3.620
220 HH11 ARG 33 1HH1 ARG 33 4.839 14.517 -0.742
221 HH12 ARG 33 2HH1 ARG 33 4.207 16.127 -0.844
222 HH21 ARG 33 1HH2 ARG 33 2.379 15.534 -3.765
223 HH22 ARG 33 2HH2 ARG 33 2.807 16.704 -2.563
224 H ILE 34 H ILE 34 6.838 7.412 -2.843
225 HA ILE 34 HA ILE 34 9.410 7.777 -1.661
226 HB ILE 34 HB ILE 34 9.317 5.458 -1.058
227 HG12 ILE 34 1HG1 ILE 34 6.842 5.109 -2.741
228 HG13 ILE 34 2HG1 ILE 34 8.449 4.775 -3.378
229 HG21 ILE 34 1HG2 ILE 34 6.847 7.082 -0.788
230 HG22 ILE 34 2HG2 ILE 34 6.794 5.402 -0.257
231 HG23 ILE 34 3HG2 ILE 34 7.969 6.513 0.447
232 HD11 ILE 34 3HD1 ILE 34 6.820 3.002 -2.062
233 HD12 ILE 34 1HD1 ILE 34 8.550 2.813 -2.343
234 HD13 ILE 34 2HD1 ILE 34 7.973 3.490 -0.820
235 H HIS 35 H HIS 35 8.261 6.657 -4.742
236 HA HIS 35 HA HIS 35 10.794 5.464 -5.482
237 HB2 HIS 35 1HB HIS 35 8.340 6.016 -7.164
238 HB3 HIS 35 2HB HIS 35 9.721 5.033 -7.644
239 HD1 HIS 35 HD1 HIS 35 10.119 3.171 -5.359
240 HD2 HIS 35 HD2 HIS 35 6.335 4.282 -6.666
241 HE1 HIS 35 HE1 HIS 35 8.573 1.352 -4.568
242 H THR 36 H THR 36 10.498 8.385 -4.807
243 HA THR 36 HA THR 36 12.170 9.367 -6.938
244 HB THR 36 HB THR 36 10.731 11.426 -7.287
245 HG1 THR 36 HG1 THR 36 8.573 11.274 -6.726
246 HG21 THR 36 3HG2 THR 36 9.443 8.873 -8.239
247 HG22 THR 36 1HG2 THR 36 10.958 9.491 -8.896
248 HG23 THR 36 2HG2 THR 36 9.478 10.438 -9.052
249 H GLY 37 H GLY 37 12.970 11.590 -6.476
250 HA2 GLY 37 1HA GLY 37 13.668 13.273 -5.044
251 HA3 GLY 37 2HA GLY 37 12.561 12.652 -3.829
252 H GLU 38 H GLU 38 13.285 11.208 -2.301
253 HA GLU 38 HA GLU 38 15.877 11.337 -1.425
254 HB2 GLU 38 1HB GLU 38 13.651 9.409 -0.972
255 HB3 GLU 38 2HB GLU 38 15.252 8.961 -0.401
256 HG2 GLU 38 1HG GLU 38 15.367 10.970 0.946
257 HG3 GLU 38 2HG GLU 38 13.802 11.495 0.330
258 H LYS 39 H LYS 39 14.656 9.523 -4.055
259 HA LYS 39 HA LYS 39 17.280 8.229 -4.372
260 HB2 LYS 39 1HB LYS 39 15.250 6.725 -3.681
261 HB3 LYS 39 2HB LYS 39 14.789 6.897 -5.369
262 HG2 LYS 39 1HG LYS 39 17.531 5.979 -4.586
263 HG3 LYS 39 2HG LYS 39 16.173 4.857 -4.701
264 HD2 LYS 39 1HD LYS 39 16.971 6.704 -6.942
265 HD3 LYS 39 2HD LYS 39 17.617 5.070 -6.767
266 HE2 LYS 39 1HE LYS 39 15.247 4.243 -6.757
267 HE3 LYS 39 2HE LYS 39 14.743 5.879 -7.179
268 HZ1 LYS 39 3HZ LYS 39 16.169 3.897 -8.798
269 HZ2 LYS 39 1HZ LYS 39 16.496 5.535 -9.072
270 HZ3 LYS 39 2HZ LYS 39 14.918 4.949 -9.236
271 HA PRO 40 HA PRO 40 16.353 10.802 -8.083
272 HB2 PRO 40 1HB PRO 40 18.914 11.645 -8.402
273 HB3 PRO 40 2HB PRO 40 17.767 12.446 -7.322
274 HG2 PRO 40 1HG PRO 40 19.922 10.473 -6.670
275 HG3 PRO 40 2HG PRO 40 19.470 11.959 -5.815
276 HD2 PRO 40 1HD PRO 40 18.693 9.504 -4.978
277 HD3 PRO 40 2HD PRO 40 17.694 10.954 -4.744
278 H SER 41 H SER 41 19.340 8.907 -7.594
279 HA SER 41 HA SER 41 18.781 7.055 -9.640
280 HB2 SER 41 1HB SER 41 19.206 9.099 -11.043
281 HB3 SER 41 2HB SER 41 20.856 9.112 -10.422
282 HG SER 41 HG SER 41 19.606 7.248 -12.117
283 H GLY 42 H GLY 42 20.672 5.644 -10.119
284 HA2 GLY 42 1HA GLY 42 23.102 5.828 -8.716
285 HA3 GLY 42 2HA GLY 42 21.975 4.884 -7.752
286 HA PRO 43 HA PRO 43 22.911 1.263 -10.028
287 HB2 PRO 43 1HB PRO 43 20.496 0.044 -10.254
288 HB3 PRO 43 2HB PRO 43 21.380 0.149 -8.727
289 HG2 PRO 43 1HG PRO 43 19.113 1.832 -9.723
290 HG3 PRO 43 2HG PRO 43 19.377 1.154 -8.105
291 HD2 PRO 43 1HD PRO 43 19.922 3.737 -8.708
292 HD3 PRO 43 2HD PRO 43 20.857 2.818 -7.511
293 H SER 44 H SER 44 20.013 2.918 -11.261
294 HA SER 44 HA SER 44 20.517 1.889 -13.939
295 HB2 SER 44 1HB SER 44 18.191 2.208 -12.718
296 HB3 SER 44 2HB SER 44 18.334 3.846 -13.356
297 HG SER 44 HG SER 44 17.835 1.482 -14.664
298 H SER 45 H SER 45 20.765 3.248 -15.770
299 HA SER 45 HA SER 45 22.647 5.255 -15.546
300 HB2 SER 45 1HB SER 45 22.262 4.166 -17.666
301 HB3 SER 45 2HB SER 45 20.611 4.781 -17.734
302 HG SER 45 HG SER 45 21.438 6.862 -17.958
303 H GLY 46 H GLY 46 22.519 7.552 -15.923
304 HA2 GLY 46 1HA GLY 46 20.608 9.320 -16.204
305 HA3 GLY 46 2HA GLY 46 20.158 8.704 -14.621
Start of MODEL 9
1 H1 GLY 1 H GLY 1 2.968 -24.529 2.167
2 HA2 GLY 1 1HA GLY 1 2.087 -22.150 3.650
3 HA3 GLY 1 2HA GLY 1 2.134 -22.085 1.895
4 H SER 2 H SER 2 0.786 -23.619 0.712
5 HA SER 2 HA SER 2 -1.205 -24.620 0.257
6 HB2 SER 2 1HB SER 2 -0.310 -26.089 2.234
7 HB3 SER 2 2HB SER 2 -1.590 -25.299 3.154
8 HG SER 2 HG SER 2 -2.842 -25.996 1.079
9 H SER 3 H SER 3 -1.217 -21.877 0.708
10 HA SER 3 HA SER 3 -3.719 -21.419 2.187
11 HB2 SER 3 1HB SER 3 -1.755 -20.081 2.906
12 HB3 SER 3 2HB SER 3 -1.657 -19.391 1.287
13 HG SER 3 HG SER 3 -2.986 -17.961 2.062
14 H GLY 4 H GLY 4 -5.406 -21.615 0.848
15 HA2 GLY 4 1HA GLY 4 -5.183 -20.719 -1.922
16 HA3 GLY 4 2HA GLY 4 -6.515 -21.631 -1.228
17 H SER 5 H SER 5 -6.962 -19.464 -2.884
18 HA SER 5 HA SER 5 -8.620 -17.847 -1.207
19 HB2 SER 5 1HB SER 5 -6.115 -16.669 -2.397
20 HB3 SER 5 2HB SER 5 -7.527 -15.670 -2.052
21 HG SER 5 HG SER 5 -5.720 -16.119 -0.372
22 H SER 6 H SER 6 -10.221 -16.801 -2.352
23 HA SER 6 HA SER 6 -10.104 -16.387 -5.171
24 HB2 SER 6 1HB SER 6 -10.447 -18.717 -5.426
25 HB3 SER 6 2HB SER 6 -11.620 -18.770 -4.110
26 HG SER 6 HG SER 6 -11.942 -17.607 -6.676
27 H GLY 7 H GLY 7 -11.239 -14.590 -5.441
28 HA2 GLY 7 1HA GLY 7 -13.169 -13.267 -5.457
29 HA3 GLY 7 2HA GLY 7 -13.898 -14.357 -4.286
30 H SER 8 H SER 8 -11.079 -12.174 -4.439
31 HA SER 8 HA SER 8 -11.754 -11.281 -1.717
32 HB2 SER 8 1HB SER 8 -9.541 -12.235 -1.810
33 HB3 SER 8 2HB SER 8 -9.123 -11.250 -3.212
34 HG SER 8 HG SER 8 -9.432 -10.483 -0.524
35 H GLY 9 H GLY 9 -10.778 -10.149 -4.928
36 HA2 GLY 9 1HA GLY 9 -11.533 -8.209 -5.992
37 HA3 GLY 9 2HA GLY 9 -12.223 -7.668 -4.469
38 H GLU 10 H GLU 10 -9.051 -8.285 -5.970
39 HA GLU 10 HA GLU 10 -7.543 -6.709 -4.223
40 HB2 GLU 10 1HB GLU 10 -7.154 -7.735 -6.996
41 HB3 GLU 10 2HB GLU 10 -6.053 -6.497 -6.408
42 HG2 GLU 10 1HG GLU 10 -6.586 -9.010 -4.863
43 HG3 GLU 10 2HG GLU 10 -5.358 -8.926 -6.124
44 H LYS 11 H LYS 11 -6.578 -4.622 -4.553
45 HA LYS 11 HA LYS 11 -8.462 -2.646 -5.322
46 HB2 LYS 11 1HB LYS 11 -5.570 -2.547 -4.497
47 HB3 LYS 11 2HB LYS 11 -6.431 -1.096 -4.994
48 HG2 LYS 11 1HG LYS 11 -7.756 -1.074 -3.131
49 HG3 LYS 11 2HG LYS 11 -7.644 -2.819 -2.896
50 HD2 LYS 11 1HD LYS 11 -5.161 -1.206 -2.621
51 HD3 LYS 11 2HD LYS 11 -6.360 -1.112 -1.329
52 HE2 LYS 11 1HE LYS 11 -6.274 -3.499 -1.014
53 HE3 LYS 11 2HE LYS 11 -5.209 -3.682 -2.408
54 HZ1 LYS 11 3HZ LYS 11 -3.517 -2.419 -1.236
55 HZ2 LYS 11 1HZ LYS 11 -3.978 -3.774 -0.333
56 HZ3 LYS 11 2HZ LYS 11 -4.539 -2.238 0.100
57 HA PRO 12 HA PRO 12 -7.592 -2.213 -9.616
58 HB2 PRO 12 1HB PRO 12 -8.446 0.339 -9.973
59 HB3 PRO 12 2HB PRO 12 -9.552 -1.020 -9.739
60 HG2 PRO 12 1HG PRO 12 -8.596 1.007 -7.754
61 HG3 PRO 12 2HG PRO 12 -10.229 0.358 -7.993
62 HD2 PRO 12 1HD PRO 12 -8.589 -0.513 -6.022
63 HD3 PRO 12 2HD PRO 12 -9.770 -1.572 -6.820
64 H TYR 13 H TYR 13 -6.681 0.607 -7.628
65 HA TYR 13 HA TYR 13 -4.590 1.370 -9.448
66 HB2 TYR 13 1HB TYR 13 -5.051 2.384 -6.640
67 HB3 TYR 13 2HB TYR 13 -4.160 3.183 -7.930
68 HD1 TYR 13 HD1 TYR 13 -5.339 4.277 -9.767
69 HD2 TYR 13 HD2 TYR 13 -7.470 2.418 -6.588
70 HE1 TYR 13 HE1 TYR 13 -7.385 5.453 -10.458
71 HE2 TYR 13 HE2 TYR 13 -9.523 3.588 -7.272
72 HH TYR 13 HH TYR 13 -9.491 6.076 -9.718
73 H VAL 14 H VAL 14 -2.835 0.126 -9.586
74 HA VAL 14 HA VAL 14 -1.479 -0.625 -7.084
75 HB VAL 14 HB VAL 14 -2.402 -2.675 -7.835
76 HG11 VAL 14 1HG1 VAL 14 -1.981 -3.507 -10.168
77 HG12 VAL 14 2HG1 VAL 14 -3.085 -2.136 -10.050
78 HG13 VAL 14 3HG1 VAL 14 -1.418 -1.885 -10.569
79 HG21 VAL 14 3HG2 VAL 14 -0.149 -2.956 -7.118
80 HG22 VAL 14 1HG2 VAL 14 -0.366 -3.958 -8.553
81 HG23 VAL 14 2HG2 VAL 14 0.479 -2.415 -8.675
82 H CYS 15 H CYS 15 0.716 -0.401 -7.056
83 HA CYS 15 HA CYS 15 1.873 1.177 -9.191
84 HB2 CYS 15 1HB CYS 15 2.424 1.934 -7.014
85 HB3 CYS 15 2HB CYS 15 2.849 0.314 -6.473
86 H ASP 16 H ASP 16 3.800 0.641 -10.305
87 HA ASP 16 HA ASP 16 4.124 -2.247 -10.692
88 HB2 ASP 16 1HB ASP 16 4.893 0.118 -12.409
89 HB3 ASP 16 2HB ASP 16 5.340 -1.543 -12.787
90 H TYR 17 H TYR 17 5.875 0.654 -9.809
91 HA TYR 17 HA TYR 17 8.495 -0.161 -10.005
92 HB2 TYR 17 1HB TYR 17 7.462 2.083 -9.170
93 HB3 TYR 17 2HB TYR 17 7.575 1.344 -7.576
94 HD1 TYR 17 HD2 TYR 17 10.077 -0.036 -7.544
95 HD2 TYR 17 HD1 TYR 17 9.122 3.667 -9.408
96 HE1 TYR 17 HE2 TYR 17 12.436 0.642 -7.393
97 HE2 TYR 17 HE1 TYR 17 11.478 4.355 -9.263
98 HH TYR 17 HH TYR 17 13.488 3.726 -7.718
99 H CYS 18 H CYS 18 6.506 -0.422 -7.051
100 HA CYS 18 HA CYS 18 8.267 -2.600 -6.157
101 HB2 CYS 18 1HB CYS 18 7.383 -2.137 -3.895
102 HB3 CYS 18 2HB CYS 18 8.156 -0.725 -4.608
103 H GLY 19 H GLY 19 4.843 -1.654 -6.338
104 HA2 GLY 19 1HA GLY 19 3.338 -3.365 -7.308
105 HA3 GLY 19 2HA GLY 19 4.167 -4.532 -6.288
106 H LYS 20 H LYS 20 3.322 -1.327 -5.178
107 HA LYS 20 HA LYS 20 1.718 -2.490 -3.062
108 HB2 LYS 20 1HB LYS 20 3.435 -0.493 -2.944
109 HB3 LYS 20 2HB LYS 20 2.039 0.460 -3.430
110 HG2 LYS 20 1HG LYS 20 0.933 0.105 -1.455
111 HG3 LYS 20 2HG LYS 20 1.768 -1.418 -1.136
112 HD2 LYS 20 1HD LYS 20 3.697 -0.337 -0.380
113 HD3 LYS 20 2HD LYS 20 3.247 1.193 -1.137
114 HE2 LYS 20 1HE LYS 20 2.729 1.669 1.035
115 HE3 LYS 20 2HE LYS 20 1.189 0.996 0.505
116 HZ1 LYS 20 3HZ LYS 20 3.055 -0.963 1.501
117 HZ2 LYS 20 1HZ LYS 20 1.412 -0.760 1.846
118 HZ3 LYS 20 2HZ LYS 20 2.568 0.167 2.661
119 H ALA 21 H ALA 21 -0.432 -2.593 -3.034
120 HA ALA 21 HA ALA 21 -1.920 -1.416 -5.246
121 HB1 ALA 21 3HB ALA 21 -3.574 -2.871 -3.409
122 HB2 ALA 21 1HB ALA 21 -3.183 -3.234 -5.090
123 HB3 ALA 21 2HB ALA 21 -2.132 -3.809 -3.796
124 H PHE 22 H PHE 22 -3.909 -0.250 -4.887
125 HA PHE 22 HA PHE 22 -4.383 0.873 -2.260
126 HB2 PHE 22 1HB PHE 22 -3.636 2.665 -4.580
127 HB3 PHE 22 2HB PHE 22 -4.159 3.202 -2.987
128 HD1 PHE 22 HD2 PHE 22 -2.708 2.749 -1.008
129 HD2 PHE 22 HD1 PHE 22 -1.396 2.083 -5.002
130 HE1 PHE 22 HE2 PHE 22 -0.372 2.733 -0.235
131 HE2 PHE 22 HE1 PHE 22 0.941 2.065 -4.235
132 HZ PHE 22 HZ PHE 22 1.456 2.391 -1.849
133 H GLY 23 H GLY 23 -6.489 1.324 -1.959
134 HA2 GLY 23 1HA GLY 23 -8.363 0.625 -3.995
135 HA3 GLY 23 2HA GLY 23 -8.748 1.269 -2.405
136 H LEU 24 H LEU 24 -7.056 3.649 -2.827
137 HA LEU 24 HA LEU 24 -8.917 5.118 -4.565
138 HB2 LEU 24 1HB LEU 24 -7.270 5.955 -2.196
139 HB3 LEU 24 2HB LEU 24 -8.006 7.125 -3.289
140 HG LEU 24 HG LEU 24 -9.548 5.069 -1.711
141 HD11 LEU 24 1HD1 LEU 24 -9.896 7.853 -0.969
142 HD12 LEU 24 2HD1 LEU 24 -8.252 7.280 -0.693
143 HD13 LEU 24 3HD1 LEU 24 -9.614 6.437 0.043
144 HD21 LEU 24 3HD2 LEU 24 -10.656 5.816 -3.754
145 HD22 LEU 24 1HD2 LEU 24 -10.436 7.497 -3.266
146 HD23 LEU 24 2HD2 LEU 24 -11.479 6.433 -2.321
147 H SER 25 H SER 25 -8.127 6.699 -6.001
148 HA SER 25 HA SER 25 -5.741 5.996 -7.344
149 HB2 SER 25 1HB SER 25 -7.627 7.016 -8.523
150 HB3 SER 25 2HB SER 25 -7.433 8.497 -7.585
151 HG SER 25 HG SER 25 -6.286 7.925 -9.855
152 H ALA 26 H ALA 26 -6.564 8.997 -5.597
153 HA ALA 26 HA ALA 26 -4.161 10.285 -5.670
154 HB1 ALA 26 3HB ALA 26 -4.840 11.524 -3.784
155 HB2 ALA 26 1HB ALA 26 -6.329 11.062 -4.610
156 HB3 ALA 26 2HB ALA 26 -5.816 10.194 -3.162
157 H GLU 27 H GLU 27 -5.149 7.860 -3.259
158 HA GLU 27 HA GLU 27 -3.002 7.835 -1.587
159 HB2 GLU 27 1HB GLU 27 -4.749 5.634 -2.624
160 HB3 GLU 27 2HB GLU 27 -3.390 5.242 -1.580
161 HG2 GLU 27 1HG GLU 27 -4.402 7.063 -0.027
162 HG3 GLU 27 2HG GLU 27 -5.869 6.777 -0.961
163 H LEU 28 H LEU 28 -3.227 6.149 -4.706
164 HA LEU 28 HA LEU 28 -0.684 4.956 -4.626
165 HB2 LEU 28 1HB LEU 28 -2.224 4.119 -6.193
166 HB3 LEU 28 2HB LEU 28 -2.526 5.718 -6.870
167 HG LEU 28 HG LEU 28 -0.079 5.622 -7.657
168 HD11 LEU 28 1HD1 LEU 28 1.115 3.824 -7.164
169 HD12 LEU 28 2HD1 LEU 28 -0.044 2.813 -8.027
170 HD13 LEU 28 3HD1 LEU 28 -0.262 3.131 -6.306
171 HD21 LEU 28 3HD2 LEU 28 -0.911 3.898 -9.519
172 HD22 LEU 28 1HD2 LEU 28 -1.496 5.559 -9.424
173 HD23 LEU 28 2HD2 LEU 28 -2.460 4.246 -8.750
174 H VAL 29 H VAL 29 -1.765 7.958 -6.212
175 HA VAL 29 HA VAL 29 0.600 8.787 -7.337
176 HB VAL 29 HB VAL 29 -1.423 10.571 -5.975
177 HG11 VAL 29 1HG1 VAL 29 0.185 11.398 -8.339
178 HG12 VAL 29 2HG1 VAL 29 -0.499 12.376 -7.039
179 HG13 VAL 29 3HG1 VAL 29 0.950 11.413 -6.751
180 HG21 VAL 29 3HG2 VAL 29 -2.828 9.789 -7.525
181 HG22 VAL 29 1HG2 VAL 29 -1.853 10.673 -8.698
182 HG23 VAL 29 2HG2 VAL 29 -1.536 8.965 -8.397
183 H ARG 30 H ARG 30 -0.510 9.335 -4.009
184 HA ARG 30 HA ARG 30 1.778 10.820 -3.218
185 HB2 ARG 30 1HB ARG 30 -0.540 9.562 -1.840
186 HB3 ARG 30 2HB ARG 30 0.873 9.942 -0.865
187 HG2 ARG 30 1HG ARG 30 -0.624 11.780 -0.721
188 HG3 ARG 30 2HG ARG 30 0.739 12.282 -1.722
189 HD2 ARG 30 1HD ARG 30 -1.691 11.131 -3.017
190 HD3 ARG 30 2HD ARG 30 -1.719 12.803 -2.458
191 HE ARG 30 HE ARG 30 -0.423 11.815 -4.777
192 HH11 ARG 30 1HH1 ARG 30 -0.078 14.137 -2.207
193 HH12 ARG 30 2HH1 ARG 30 0.902 15.220 -3.140
194 HH21 ARG 30 1HH2 ARG 30 0.866 13.232 -6.016
195 HH22 ARG 30 2HH2 ARG 30 1.437 14.704 -5.307
196 H HIS 31 H HIS 31 1.049 7.431 -3.418
197 HA HIS 31 HA HIS 31 3.100 6.516 -1.669
198 HB2 HIS 31 1HB HIS 31 1.517 4.876 -1.979
199 HB3 HIS 31 2HB HIS 31 1.290 5.266 -3.681
200 HD1 HIS 31 HD1 HIS 31 3.597 3.373 -1.385
201 HD2 HIS 31 HD2 HIS 31 2.826 3.799 -5.445
202 HE1 HIS 31 HE1 HIS 31 4.930 1.565 -2.515
203 H GLN 32 H GLN 32 2.856 6.572 -5.227
204 HA GLN 32 HA GLN 32 5.273 5.585 -5.957
205 HB2 GLN 32 1HB GLN 32 3.961 8.031 -7.156
206 HB3 GLN 32 2HB GLN 32 5.176 7.031 -7.941
207 HG2 GLN 32 1HG GLN 32 3.543 5.102 -7.648
208 HG3 GLN 32 2HG GLN 32 2.342 6.333 -7.262
209 HE21 GLN 32 1HE2 GLN 32 1.424 5.168 -9.222
210 HE22 GLN 32 2HE2 GLN 32 1.792 5.860 -10.762
211 H ARG 33 H ARG 33 4.693 8.521 -4.250
212 HA ARG 33 HA ARG 33 6.911 10.054 -4.841
213 HB2 ARG 33 1HB ARG 33 5.544 9.662 -2.173
214 HB3 ARG 33 2HB ARG 33 6.701 10.941 -2.517
215 HG2 ARG 33 1HG ARG 33 5.191 11.772 -4.292
216 HG3 ARG 33 2HG ARG 33 4.015 10.546 -3.815
217 HD2 ARG 33 1HD ARG 33 3.338 12.505 -2.710
218 HD3 ARG 33 2HD ARG 33 4.159 11.545 -1.480
219 HE ARG 33 HE ARG 33 5.777 13.163 -1.342
220 HH11 ARG 33 1HH1 ARG 33 3.881 13.673 -4.216
221 HH12 ARG 33 2HH1 ARG 33 4.593 15.212 -4.571
222 HH21 ARG 33 1HH2 ARG 33 6.722 15.188 -1.797
223 HH22 ARG 33 2HH2 ARG 33 6.210 16.072 -3.194
224 H ILE 34 H ILE 34 6.645 7.308 -2.635
225 HA ILE 34 HA ILE 34 9.135 7.457 -1.409
226 HB ILE 34 HB ILE 34 8.929 5.111 -0.910
227 HG12 ILE 34 1HG1 ILE 34 6.505 4.799 -2.624
228 HG13 ILE 34 2HG1 ILE 34 8.085 4.707 -3.395
229 HG21 ILE 34 1HG2 ILE 34 6.779 6.994 -0.549
230 HG22 ILE 34 2HG2 ILE 34 6.170 5.340 -0.573
231 HG23 ILE 34 3HG2 ILE 34 7.426 5.800 0.576
232 HD11 ILE 34 3HD1 ILE 34 6.695 2.760 -1.778
233 HD12 ILE 34 1HD1 ILE 34 8.081 2.560 -2.850
234 HD13 ILE 34 2HD1 ILE 34 8.324 3.072 -1.180
235 H HIS 35 H HIS 35 8.378 6.806 -4.664
236 HA HIS 35 HA HIS 35 10.895 5.419 -5.177
237 HB2 HIS 35 1HB HIS 35 8.698 6.187 -7.110
238 HB3 HIS 35 2HB HIS 35 10.062 5.126 -7.450
239 HD1 HIS 35 HD1 HIS 35 9.982 3.260 -5.056
240 HD2 HIS 35 HD2 HIS 35 6.586 4.490 -7.108
241 HE1 HIS 35 HE1 HIS 35 8.243 1.505 -4.588
242 H THR 36 H THR 36 9.447 8.549 -5.457
243 HA THR 36 HA THR 36 11.729 9.513 -7.043
244 HB THR 36 HB THR 36 10.356 11.577 -7.380
245 HG1 THR 36 HG1 THR 36 8.105 10.125 -6.513
246 HG21 THR 36 3HG2 THR 36 8.445 9.998 -8.592
247 HG22 THR 36 1HG2 THR 36 9.829 8.916 -8.445
248 HG23 THR 36 2HG2 THR 36 9.999 10.456 -9.287
249 H GLY 37 H GLY 37 13.290 9.806 -5.485
250 HA2 GLY 37 1HA GLY 37 14.411 11.347 -4.109
251 HA3 GLY 37 2HA GLY 37 12.867 12.092 -3.723
252 H GLU 38 H GLU 38 14.608 9.017 -3.259
253 HA GLU 38 HA GLU 38 13.240 8.688 -0.689
254 HB2 GLU 38 1HB GLU 38 13.217 6.776 -2.235
255 HB3 GLU 38 2HB GLU 38 14.975 6.754 -2.236
256 HG2 GLU 38 1HG GLU 38 15.083 6.015 -0.021
257 HG3 GLU 38 2HG GLU 38 13.402 6.444 0.295
258 H LYS 39 H LYS 39 14.465 8.078 1.203
259 HA LYS 39 HA LYS 39 16.950 9.578 1.381
260 HB2 LYS 39 1HB LYS 39 16.732 9.243 3.802
261 HB3 LYS 39 2HB LYS 39 15.259 9.912 3.113
262 HG2 LYS 39 1HG LYS 39 14.481 7.443 3.011
263 HG3 LYS 39 2HG LYS 39 15.768 7.173 4.188
264 HD2 LYS 39 1HD LYS 39 14.770 8.603 5.766
265 HD3 LYS 39 2HD LYS 39 13.697 9.319 4.560
266 HE2 LYS 39 1HE LYS 39 12.332 7.872 5.808
267 HE3 LYS 39 2HE LYS 39 12.684 6.996 4.318
268 HZ1 LYS 39 3HZ LYS 39 14.662 6.418 6.238
269 HZ2 LYS 39 1HZ LYS 39 13.565 5.363 5.498
270 HZ3 LYS 39 2HZ LYS 39 13.140 6.161 6.928
271 HA PRO 40 HA PRO 40 19.635 6.100 1.200
272 HB2 PRO 40 1HB PRO 40 21.707 7.034 2.685
273 HB3 PRO 40 2HB PRO 40 21.357 7.614 1.053
274 HG2 PRO 40 1HG PRO 40 20.669 8.851 3.691
275 HG3 PRO 40 2HG PRO 40 21.290 9.624 2.221
276 HD2 PRO 40 1HD PRO 40 18.673 9.698 2.912
277 HD3 PRO 40 2HD PRO 40 19.214 9.677 1.221
278 H SER 41 H SER 41 18.076 4.832 2.521
279 HA SER 41 HA SER 41 19.375 3.679 4.764
280 HB2 SER 41 1HB SER 41 18.227 5.885 5.618
281 HB3 SER 41 2HB SER 41 16.758 4.912 5.549
282 HG SER 41 HG SER 41 17.826 3.390 6.912
283 H GLY 42 H GLY 42 18.949 1.603 4.451
284 HA2 GLY 42 1HA GLY 42 16.319 0.551 4.467
285 HA3 GLY 42 2HA GLY 42 16.936 0.580 2.821
286 HA PRO 43 HA PRO 43 18.196 -3.467 4.597
287 HB2 PRO 43 1HB PRO 43 17.809 -4.841 2.287
288 HB3 PRO 43 2HB PRO 43 16.509 -4.511 3.439
289 HG2 PRO 43 1HG PRO 43 17.193 -3.087 0.897
290 HG3 PRO 43 2HG PRO 43 15.602 -3.559 1.521
291 HD2 PRO 43 1HD PRO 43 16.559 -1.035 1.732
292 HD3 PRO 43 2HD PRO 43 15.488 -1.755 2.951
293 H SER 44 H SER 44 19.572 -5.191 3.041
294 HA SER 44 HA SER 44 21.973 -3.648 2.373
295 HB2 SER 44 1HB SER 44 21.729 -6.636 2.785
296 HB3 SER 44 2HB SER 44 23.216 -5.691 2.704
297 HG SER 44 HG SER 44 23.009 -5.454 4.771
298 H SER 45 H SER 45 20.004 -3.499 0.467
299 HA SER 45 HA SER 45 20.868 -5.360 -1.641
300 HB2 SER 45 1HB SER 45 18.320 -3.907 -1.098
301 HB3 SER 45 2HB SER 45 18.752 -4.212 -2.780
302 HG SER 45 HG SER 45 19.131 -6.475 -1.905
303 H GLY 46 H GLY 46 22.850 -4.038 -1.808
304 HA2 GLY 46 1HA GLY 46 24.139 -2.480 -2.893
305 HA3 GLY 46 2HA GLY 46 22.819 -2.382 -4.049
Start of MODEL 10
1 H1 GLY 1 H GLY 1 15.345 -10.430 -2.275
2 HA2 GLY 1 1HA GLY 1 13.379 -10.401 -4.432
3 HA3 GLY 1 2HA GLY 1 13.526 -11.897 -3.522
4 H SER 2 H SER 2 11.470 -9.582 -3.821
5 HA SER 2 HA SER 2 10.508 -9.771 -1.122
6 HB2 SER 2 1HB SER 2 12.242 -7.815 -1.245
7 HB3 SER 2 2HB SER 2 10.940 -6.954 -2.065
8 HG SER 2 HG SER 2 9.724 -7.895 -0.062
9 H SER 3 H SER 3 8.361 -9.852 -1.183
10 HA SER 3 HA SER 3 6.864 -8.288 -3.119
11 HB2 SER 3 1HB SER 3 7.531 -10.628 -4.087
12 HB3 SER 3 2HB SER 3 6.257 -11.225 -3.024
13 HG SER 3 HG SER 3 5.812 -10.442 -5.352
14 H GLY 4 H GLY 4 4.425 -8.749 -2.810
15 HA2 GLY 4 1HA GLY 4 3.937 -9.053 0.089
16 HA3 GLY 4 2HA GLY 4 3.063 -7.922 -0.933
17 H SER 5 H SER 5 1.023 -8.579 -1.058
18 HA SER 5 HA SER 5 0.424 -11.158 -2.194
19 HB2 SER 5 1HB SER 5 -1.083 -11.861 -0.354
20 HB3 SER 5 2HB SER 5 0.603 -11.785 0.157
21 HG SER 5 HG SER 5 -0.817 -10.802 1.669
22 H SER 6 H SER 6 -1.591 -11.239 -3.147
23 HA SER 6 HA SER 6 -2.847 -8.684 -3.597
24 HB2 SER 6 1HB SER 6 -2.456 -10.614 -5.305
25 HB3 SER 6 2HB SER 6 -3.935 -11.291 -4.622
26 HG SER 6 HG SER 6 -5.061 -9.528 -5.306
27 H GLY 7 H GLY 7 -3.665 -8.242 -1.486
28 HA2 GLY 7 1HA GLY 7 -5.299 -9.833 0.065
29 HA3 GLY 7 2HA GLY 7 -5.412 -8.080 -0.001
30 H SER 8 H SER 8 -7.473 -10.244 0.222
31 HA SER 8 HA SER 8 -8.995 -10.814 -1.901
32 HB2 SER 8 1HB SER 8 -10.020 -9.625 0.688
33 HB3 SER 8 2HB SER 8 -11.015 -10.485 -0.487
34 HG SER 8 HG SER 8 -10.354 -12.272 0.373
35 H GLY 9 H GLY 9 -9.182 -9.576 -3.675
36 HA2 GLY 9 1HA GLY 9 -10.693 -7.937 -4.685
37 HA3 GLY 9 2HA GLY 9 -10.358 -6.890 -3.314
38 H GLU 10 H GLU 10 -9.418 -7.823 -6.457
39 HA GLU 10 HA GLU 10 -6.757 -6.768 -6.375
40 HB2 GLU 10 1HB GLU 10 -7.890 -8.482 -8.036
41 HB3 GLU 10 2HB GLU 10 -8.281 -7.021 -8.931
42 HG2 GLU 10 1HG GLU 10 -5.558 -8.062 -8.210
43 HG3 GLU 10 2HG GLU 10 -6.261 -7.884 -9.817
44 H LYS 11 H LYS 11 -6.776 -4.666 -5.673
45 HA LYS 11 HA LYS 11 -8.575 -2.676 -6.518
46 HB2 LYS 11 1HB LYS 11 -5.740 -2.210 -5.591
47 HB3 LYS 11 2HB LYS 11 -7.102 -1.103 -5.470
48 HG2 LYS 11 1HG LYS 11 -8.136 -3.051 -4.040
49 HG3 LYS 11 2HG LYS 11 -6.439 -3.487 -3.824
50 HD2 LYS 11 1HD LYS 11 -5.992 -1.178 -3.046
51 HD3 LYS 11 2HD LYS 11 -7.718 -0.831 -3.172
52 HE2 LYS 11 1HE LYS 11 -8.224 -2.479 -1.497
53 HE3 LYS 11 2HE LYS 11 -6.545 -3.018 -1.459
54 HZ1 LYS 11 3HZ LYS 11 -6.125 -1.497 0.073
55 HZ2 LYS 11 1HZ LYS 11 -7.740 -0.994 0.049
56 HZ3 LYS 11 2HZ LYS 11 -6.610 -0.259 -0.972
57 HA PRO 12 HA PRO 12 -7.151 -1.711 -10.572
58 HB2 PRO 12 1HB PRO 12 -8.122 0.817 -10.768
59 HB3 PRO 12 2HB PRO 12 -9.152 -0.617 -10.849
60 HG2 PRO 12 1HG PRO 12 -8.625 1.209 -8.536
61 HG3 PRO 12 2HG PRO 12 -10.160 0.508 -9.081
62 HD2 PRO 12 1HD PRO 12 -8.754 -0.503 -6.999
63 HD3 PRO 12 2HD PRO 12 -9.736 -1.521 -8.071
64 H TYR 13 H TYR 13 -6.300 0.217 -7.803
65 HA TYR 13 HA TYR 13 -4.165 1.546 -9.317
66 HB2 TYR 13 1HB TYR 13 -5.221 2.127 -6.542
67 HB3 TYR 13 2HB TYR 13 -3.972 3.046 -7.374
68 HD1 TYR 13 HD2 TYR 13 -7.558 2.286 -7.235
69 HD2 TYR 13 HD1 TYR 13 -4.533 4.579 -9.159
70 HE1 TYR 13 HE2 TYR 13 -9.289 3.716 -8.240
71 HE2 TYR 13 HE1 TYR 13 -6.256 6.016 -10.168
72 HH TYR 13 HH TYR 13 -9.023 5.458 -10.723
73 H VAL 14 H VAL 14 -2.629 -0.062 -9.444
74 HA VAL 14 HA VAL 14 -1.483 -0.939 -6.872
75 HB VAL 14 HB VAL 14 -1.498 -2.466 -9.480
76 HG11 VAL 14 1HG1 VAL 14 0.149 -3.719 -8.676
77 HG12 VAL 14 2HG1 VAL 14 0.300 -2.597 -7.323
78 HG13 VAL 14 3HG1 VAL 14 -0.748 -4.009 -7.186
79 HG21 VAL 14 3HG2 VAL 14 -2.708 -4.033 -7.584
80 HG22 VAL 14 1HG2 VAL 14 -3.297 -2.420 -7.181
81 HG23 VAL 14 2HG2 VAL 14 -3.545 -3.070 -8.802
82 H CYS 15 H CYS 15 0.425 -0.044 -6.501
83 HA CYS 15 HA CYS 15 1.891 1.552 -8.166
84 HB2 CYS 15 1HB CYS 15 2.366 1.445 -5.799
85 HB3 CYS 15 2HB CYS 15 2.885 -0.232 -5.937
86 H ASP 16 H ASP 16 2.785 1.174 -10.072
87 HA ASP 16 HA ASP 16 3.548 -1.528 -10.828
88 HB2 ASP 16 1HB ASP 16 2.300 0.287 -12.276
89 HB3 ASP 16 2HB ASP 16 3.939 0.834 -12.620
90 H TYR 17 H TYR 17 5.097 -0.066 -8.811
91 HA TYR 17 HA TYR 17 7.692 0.011 -10.208
92 HB2 TYR 17 1HB TYR 17 6.918 2.228 -9.322
93 HB3 TYR 17 2HB TYR 17 6.973 1.543 -7.702
94 HD1 TYR 17 HD2 TYR 17 9.305 0.387 -7.110
95 HD2 TYR 17 HD1 TYR 17 8.756 3.416 -10.046
96 HE1 TYR 17 HE2 TYR 17 11.686 0.978 -6.935
97 HE2 TYR 17 HE1 TYR 17 11.136 4.015 -9.881
98 HH TYR 17 HH TYR 17 13.108 3.040 -7.386
99 H CYS 18 H CYS 18 6.119 -0.641 -7.087
100 HA CYS 18 HA CYS 18 8.223 -2.634 -6.548
101 HB2 CYS 18 1HB CYS 18 7.936 -2.207 -4.167
102 HB3 CYS 18 2HB CYS 18 8.329 -0.709 -5.004
103 H GLY 19 H GLY 19 4.800 -1.825 -6.242
104 HA2 GLY 19 1HA GLY 19 3.203 -3.585 -6.816
105 HA3 GLY 19 2HA GLY 19 4.247 -4.713 -5.965
106 H LYS 20 H LYS 20 1.792 -2.283 -5.663
107 HA LYS 20 HA LYS 20 1.055 -3.287 -3.071
108 HB2 LYS 20 1HB LYS 20 2.822 -1.673 -2.474
109 HB3 LYS 20 2HB LYS 20 1.947 -0.409 -3.328
110 HG2 LYS 20 1HG LYS 20 0.230 -0.363 -1.745
111 HG3 LYS 20 2HG LYS 20 0.693 -1.927 -1.069
112 HD2 LYS 20 1HD LYS 20 2.549 -1.032 0.034
113 HD3 LYS 20 2HD LYS 20 2.560 0.420 -0.970
114 HE2 LYS 20 1HE LYS 20 0.332 1.001 0.068
115 HE3 LYS 20 2HE LYS 20 0.615 -0.313 1.209
116 HZ1 LYS 20 3HZ LYS 20 2.790 1.583 0.924
117 HZ2 LYS 20 1HZ LYS 20 2.152 0.866 2.318
118 HZ3 LYS 20 2HZ LYS 20 1.382 2.204 1.626
119 H ALA 21 H ALA 21 -1.092 -3.187 -2.846
120 HA ALA 21 HA ALA 21 -2.636 -1.812 -4.882
121 HB1 ALA 21 3HB ALA 21 -4.548 -2.944 -3.475
122 HB2 ALA 21 1HB ALA 21 -3.540 -3.892 -4.570
123 HB3 ALA 21 2HB ALA 21 -3.209 -3.899 -2.837
124 H PHE 22 H PHE 22 -4.176 -0.226 -4.505
125 HA PHE 22 HA PHE 22 -4.268 0.935 -1.810
126 HB2 PHE 22 1HB PHE 22 -3.945 2.571 -4.332
127 HB3 PHE 22 2HB PHE 22 -4.000 3.178 -2.681
128 HD1 PHE 22 HD2 PHE 22 -2.105 2.869 -1.178
129 HD2 PHE 22 HD1 PHE 22 -1.960 1.576 -5.231
130 HE1 PHE 22 HE2 PHE 22 0.343 2.678 -1.026
131 HE2 PHE 22 HE1 PHE 22 0.488 1.382 -5.085
132 HZ PHE 22 HZ PHE 22 1.643 1.934 -2.981
133 H GLY 23 H GLY 23 -5.664 1.000 -5.081
134 HA2 GLY 23 1HA GLY 23 -7.931 0.710 -5.607
135 HA3 GLY 23 2HA GLY 23 -8.330 0.926 -3.909
136 H LEU 24 H LEU 24 -6.360 3.387 -4.303
137 HA LEU 24 HA LEU 24 -8.307 5.173 -5.581
138 HB2 LEU 24 1HB LEU 24 -8.373 5.044 -2.975
139 HB3 LEU 24 2HB LEU 24 -6.916 6.031 -3.080
140 HG LEU 24 HG LEU 24 -8.342 7.626 -4.504
141 HD11 LEU 24 1HD1 LEU 24 -10.249 6.361 -5.001
142 HD12 LEU 24 2HD1 LEU 24 -10.780 7.507 -3.770
143 HD13 LEU 24 3HD1 LEU 24 -10.443 5.833 -3.329
144 HD21 LEU 24 3HD2 LEU 24 -8.564 8.895 -2.660
145 HD22 LEU 24 1HD2 LEU 24 -7.696 7.575 -1.876
146 HD23 LEU 24 2HD2 LEU 24 -9.456 7.651 -1.783
147 H SER 25 H SER 25 -7.436 6.801 -6.762
148 HA SER 25 HA SER 25 -4.778 6.633 -7.615
149 HB2 SER 25 1HB SER 25 -5.198 8.657 -8.857
150 HB3 SER 25 2HB SER 25 -6.671 7.687 -8.886
151 HG SER 25 HG SER 25 -6.139 9.892 -7.177
152 H ALA 26 H ALA 26 -6.316 8.977 -5.424
153 HA ALA 26 HA ALA 26 -4.158 10.599 -4.876
154 HB1 ALA 26 3HB ALA 26 -5.979 9.816 -2.646
155 HB2 ALA 26 1HB ALA 26 -5.348 11.405 -3.079
156 HB3 ALA 26 2HB ALA 26 -6.631 10.672 -4.043
157 H GLU 27 H GLU 27 -5.087 7.609 -3.178
158 HA GLU 27 HA GLU 27 -2.992 7.601 -1.322
159 HB2 GLU 27 1HB GLU 27 -4.540 5.305 -2.530
160 HB3 GLU 27 2HB GLU 27 -3.436 5.138 -1.173
161 HG2 GLU 27 1HG GLU 27 -6.036 6.628 -1.280
162 HG3 GLU 27 2HG GLU 27 -5.594 5.265 -0.253
163 H LEU 28 H LEU 28 -3.248 5.880 -4.432
164 HA LEU 28 HA LEU 28 -0.744 4.689 -4.436
165 HB2 LEU 28 1HB LEU 28 -2.367 4.064 -6.062
166 HB3 LEU 28 2HB LEU 28 -2.442 5.704 -6.703
167 HG LEU 28 HG LEU 28 -0.162 5.454 -7.580
168 HD11 LEU 28 1HD1 LEU 28 1.077 3.482 -7.428
169 HD12 LEU 28 2HD1 LEU 28 -0.310 2.541 -6.881
170 HD13 LEU 28 3HD1 LEU 28 0.441 3.715 -5.800
171 HD21 LEU 28 3HD2 LEU 28 -0.928 3.260 -9.021
172 HD22 LEU 28 1HD2 LEU 28 -1.419 4.921 -9.352
173 HD23 LEU 28 2HD2 LEU 28 -2.469 3.863 -8.409
174 H VAL 29 H VAL 29 -1.695 7.903 -5.589
175 HA VAL 29 HA VAL 29 0.753 8.679 -6.689
176 HB VAL 29 HB VAL 29 -1.389 10.357 -5.382
177 HG11 VAL 29 1HG1 VAL 29 0.189 11.779 -7.305
178 HG12 VAL 29 2HG1 VAL 29 -0.121 12.166 -5.612
179 HG13 VAL 29 3HG1 VAL 29 1.233 11.121 -6.046
180 HG21 VAL 29 3HG2 VAL 29 -2.276 10.678 -7.521
181 HG22 VAL 29 1HG2 VAL 29 -0.809 10.105 -8.315
182 HG23 VAL 29 2HG2 VAL 29 -1.866 8.964 -7.484
183 H ARG 30 H ARG 30 -0.527 9.261 -3.415
184 HA ARG 30 HA ARG 30 1.715 10.604 -2.410
185 HB2 ARG 30 1HB ARG 30 -0.283 8.881 -0.932
186 HB3 ARG 30 2HB ARG 30 0.834 10.012 -0.180
187 HG2 ARG 30 1HG ARG 30 -0.318 11.861 -0.932
188 HG3 ARG 30 2HG ARG 30 -1.066 10.980 -2.266
189 HD2 ARG 30 1HD ARG 30 -2.784 11.355 -0.692
190 HD3 ARG 30 2HD ARG 30 -2.326 9.662 -0.514
191 HE ARG 30 HE ARG 30 -1.535 10.120 1.598
192 HH11 ARG 30 1HH1 ARG 30 -2.213 13.093 -0.081
193 HH12 ARG 30 2HH1 ARG 30 -2.035 14.083 1.330
194 HH21 ARG 30 1HH2 ARG 30 -1.298 11.412 3.462
195 HH22 ARG 30 2HH2 ARG 30 -1.513 13.126 3.344
196 H HIS 31 H HIS 31 1.325 7.347 -3.267
197 HA HIS 31 HA HIS 31 3.424 6.399 -1.476
198 HB2 HIS 31 1HB HIS 31 1.669 4.836 -1.656
199 HB3 HIS 31 2HB HIS 31 1.555 5.036 -3.402
200 HD1 HIS 31 HD1 HIS 31 3.499 3.256 -0.756
201 HD2 HIS 31 HD2 HIS 31 3.382 3.528 -4.900
202 HE1 HIS 31 HE1 HIS 31 4.934 1.369 -1.595
203 H GLN 32 H GLN 32 2.775 6.425 -4.983
204 HA GLN 32 HA GLN 32 5.230 5.515 -5.865
205 HB2 GLN 32 1HB GLN 32 3.221 7.391 -7.079
206 HB3 GLN 32 2HB GLN 32 4.712 6.994 -7.923
207 HG2 GLN 32 1HG GLN 32 4.026 4.547 -7.555
208 HG3 GLN 32 2HG GLN 32 2.429 5.203 -7.201
209 HE21 GLN 32 1HE2 GLN 32 1.253 4.669 -8.918
210 HE22 GLN 32 2HE2 GLN 32 1.647 5.048 -10.557
211 H ARG 33 H ARG 33 4.292 8.743 -4.841
212 HA ARG 33 HA ARG 33 6.330 10.305 -5.769
213 HB2 ARG 33 1HB ARG 33 5.821 11.829 -4.086
214 HB3 ARG 33 2HB ARG 33 4.340 10.888 -4.215
215 HG2 ARG 33 1HG ARG 33 4.835 9.670 -2.245
216 HG3 ARG 33 2HG ARG 33 6.484 10.298 -2.194
217 HD2 ARG 33 1HD ARG 33 5.549 12.573 -1.868
218 HD3 ARG 33 2HD ARG 33 3.937 11.861 -1.790
219 HE ARG 33 HE ARG 33 5.742 10.685 0.087
220 HH11 ARG 33 1HH1 ARG 33 3.660 13.415 -0.490
221 HH12 ARG 33 2HH1 ARG 33 3.399 13.737 1.192
222 HH21 ARG 33 1HH2 ARG 33 5.406 11.099 2.305
223 HH22 ARG 33 2HH2 ARG 33 4.393 12.420 2.781
224 H ILE 34 H ILE 34 6.561 7.697 -3.551
225 HA ILE 34 HA ILE 34 8.973 8.470 -2.252
226 HB ILE 34 HB ILE 34 9.030 6.322 -1.304
227 HG12 ILE 34 1HG1 ILE 34 7.232 5.399 -3.557
228 HG13 ILE 34 2HG1 ILE 34 8.945 5.031 -3.388
229 HG21 ILE 34 1HG2 ILE 34 6.451 7.627 -1.601
230 HG22 ILE 34 2HG2 ILE 34 6.306 5.912 -1.219
231 HG23 ILE 34 3HG2 ILE 34 7.231 6.976 -0.159
232 HD11 ILE 34 3HD1 ILE 34 7.459 4.279 -1.029
233 HD12 ILE 34 1HD1 ILE 34 6.821 3.512 -2.483
234 HD13 ILE 34 2HD1 ILE 34 8.521 3.314 -2.054
235 H HIS 35 H HIS 35 8.222 6.569 -5.125
236 HA HIS 35 HA HIS 35 10.963 5.816 -5.576
237 HB2 HIS 35 1HB HIS 35 8.633 5.655 -7.496
238 HB3 HIS 35 2HB HIS 35 10.158 4.781 -7.609
239 HD1 HIS 35 HD1 HIS 35 10.574 3.123 -5.419
240 HD2 HIS 35 HD2 HIS 35 6.670 4.210 -6.334
241 HE1 HIS 35 HE1 HIS 35 9.116 1.425 -4.271
242 H THR 36 H THR 36 9.780 8.723 -5.603
243 HA THR 36 HA THR 36 11.509 9.616 -7.776
244 HB THR 36 HB THR 36 9.729 11.307 -8.462
245 HG1 THR 36 HG1 THR 36 8.290 9.667 -6.716
246 HG21 THR 36 3HG2 THR 36 9.106 8.409 -9.037
247 HG22 THR 36 1HG2 THR 36 10.396 9.327 -9.814
248 HG23 THR 36 2HG2 THR 36 8.712 9.800 -10.048
249 H GLY 37 H GLY 37 12.368 11.673 -7.484
250 HA2 GLY 37 1HA GLY 37 11.493 13.609 -5.679
251 HA3 GLY 37 2HA GLY 37 12.603 12.562 -4.808
252 H GLU 38 H GLU 38 12.739 13.558 -8.203
253 HA GLU 38 HA GLU 38 14.435 14.488 -9.413
254 HB2 GLU 38 1HB GLU 38 13.461 16.424 -8.035
255 HB3 GLU 38 2HB GLU 38 14.894 16.268 -7.029
256 HG2 GLU 38 1HG GLU 38 16.317 16.716 -8.940
257 HG3 GLU 38 2HG GLU 38 14.903 16.809 -9.990
258 H LYS 39 H LYS 39 15.236 12.192 -8.093
259 HA LYS 39 HA LYS 39 18.004 12.842 -7.315
260 HB2 LYS 39 1HB LYS 39 16.107 10.750 -6.305
261 HB3 LYS 39 2HB LYS 39 17.842 10.484 -6.207
262 HG2 LYS 39 1HG LYS 39 16.478 12.910 -5.070
263 HG3 LYS 39 2HG LYS 39 16.773 11.433 -4.149
264 HD2 LYS 39 1HD LYS 39 19.205 11.679 -4.720
265 HD3 LYS 39 2HD LYS 39 18.819 13.264 -5.393
266 HE2 LYS 39 1HE LYS 39 18.092 14.069 -3.268
267 HE3 LYS 39 2HE LYS 39 18.174 12.455 -2.564
268 HZ1 LYS 39 3HZ LYS 39 20.198 14.396 -2.725
269 HZ2 LYS 39 1HZ LYS 39 20.687 13.042 -3.614
270 HZ3 LYS 39 2HZ LYS 39 20.254 12.875 -1.987
271 HA PRO 40 HA PRO 40 19.467 10.474 -10.710
272 HB2 PRO 40 1HB PRO 40 21.776 9.473 -9.691
273 HB3 PRO 40 2HB PRO 40 21.578 11.174 -10.132
274 HG2 PRO 40 1HG PRO 40 21.409 9.884 -7.435
275 HG3 PRO 40 2HG PRO 40 22.197 11.403 -7.902
276 HD2 PRO 40 1HD PRO 40 19.766 11.329 -6.712
277 HD3 PRO 40 2HD PRO 40 20.216 12.582 -7.887
278 H SER 41 H SER 41 18.389 8.685 -11.285
279 HA SER 41 HA SER 41 17.816 6.529 -9.542
280 HB2 SER 41 1HB SER 41 16.632 7.289 -11.751
281 HB3 SER 41 2HB SER 41 17.797 6.215 -12.526
282 HG SER 41 HG SER 41 15.749 5.593 -10.695
283 H GLY 42 H GLY 42 20.022 6.750 -12.339
284 HA2 GLY 42 1HA GLY 42 21.227 4.204 -11.696
285 HA3 GLY 42 2HA GLY 42 21.692 5.281 -13.005
286 HA PRO 43 HA PRO 43 24.479 5.590 -9.091
287 HB2 PRO 43 1HB PRO 43 26.342 3.689 -9.628
288 HB3 PRO 43 2HB PRO 43 24.894 3.371 -8.665
289 HG2 PRO 43 1HG PRO 43 25.417 2.779 -11.553
290 HG3 PRO 43 2HG PRO 43 24.639 1.763 -10.326
291 HD2 PRO 43 1HD PRO 43 23.228 3.174 -12.156
292 HD3 PRO 43 2HD PRO 43 22.619 2.856 -10.519
293 H SER 44 H SER 44 24.902 5.266 -12.513
294 HA SER 44 HA SER 44 27.315 6.952 -12.379
295 HB2 SER 44 1HB SER 44 26.467 4.916 -14.446
296 HB3 SER 44 2HB SER 44 27.778 6.066 -14.707
297 HG SER 44 HG SER 44 27.621 3.939 -12.866
298 H SER 45 H SER 45 26.280 8.932 -12.371
299 HA SER 45 HA SER 45 25.276 9.804 -14.946
300 HB2 SER 45 1HB SER 45 23.578 9.899 -12.447
301 HB3 SER 45 2HB SER 45 23.249 10.872 -13.880
302 HG SER 45 HG SER 45 22.988 8.964 -15.058
303 H GLY 46 H GLY 46 24.788 12.231 -14.865
304 HA2 GLY 46 1HA GLY 46 25.208 14.313 -13.645
305 HA3 GLY 46 2HA GLY 46 26.631 13.540 -12.963
Start of MODEL 11
1 H1 GLY 1 H GLY 1 9.265 -15.898 12.282
2 HA2 GLY 1 1HA GLY 1 7.914 -18.209 11.216
3 HA3 GLY 1 2HA GLY 1 7.181 -17.597 12.692
4 H SER 2 H SER 2 7.945 -16.864 9.347
5 HA SER 2 HA SER 2 5.982 -14.667 9.447
6 HB2 SER 2 1HB SER 2 8.455 -14.984 7.740
7 HB3 SER 2 2HB SER 2 7.205 -13.784 7.409
8 HG SER 2 HG SER 2 7.596 -13.157 9.714
9 H SER 3 H SER 3 4.122 -15.520 8.739
10 HA SER 3 HA SER 3 4.191 -17.175 6.304
11 HB2 SER 3 1HB SER 3 2.044 -17.034 8.435
12 HB3 SER 3 2HB SER 3 2.030 -18.091 7.023
13 HG SER 3 HG SER 3 4.237 -18.182 8.740
14 H GLY 4 H GLY 4 4.008 -15.709 4.680
15 HA2 GLY 4 1HA GLY 4 3.177 -13.902 3.479
16 HA3 GLY 4 2HA GLY 4 1.681 -14.794 3.710
17 H SER 5 H SER 5 0.441 -12.905 3.738
18 HA SER 5 HA SER 5 0.793 -11.245 6.149
19 HB2 SER 5 1HB SER 5 1.187 -9.833 4.269
20 HB3 SER 5 2HB SER 5 -0.199 -10.490 3.398
21 HG SER 5 HG SER 5 -1.560 -9.400 4.722
22 H SER 6 H SER 6 -0.975 -10.825 7.414
23 HA SER 6 HA SER 6 -3.206 -12.635 7.112
24 HB2 SER 6 1HB SER 6 -3.908 -11.788 9.312
25 HB3 SER 6 2HB SER 6 -2.210 -12.264 9.329
26 HG SER 6 HG SER 6 -2.006 -10.324 10.155
27 H GLY 7 H GLY 7 -4.150 -11.767 5.190
28 HA2 GLY 7 1HA GLY 7 -6.331 -10.658 4.832
29 HA3 GLY 7 2HA GLY 7 -5.660 -9.274 5.681
30 H SER 8 H SER 8 -6.270 -10.615 2.684
31 HA SER 8 HA SER 8 -4.084 -9.394 1.257
32 HB2 SER 8 1HB SER 8 -6.639 -10.703 0.302
33 HB3 SER 8 2HB SER 8 -5.376 -10.102 -0.772
34 HG SER 8 HG SER 8 -4.604 -11.829 1.272
35 H GLY 9 H GLY 9 -4.440 -7.801 -0.474
36 HA2 GLY 9 1HA GLY 9 -6.734 -6.025 0.003
37 HA3 GLY 9 2HA GLY 9 -5.108 -5.364 0.088
38 H GLU 10 H GLU 10 -7.479 -6.870 -2.037
39 HA GLU 10 HA GLU 10 -5.910 -6.335 -4.404
40 HB2 GLU 10 1HB GLU 10 -7.559 -8.290 -4.025
41 HB3 GLU 10 2HB GLU 10 -8.813 -7.114 -4.392
42 HG2 GLU 10 1HG GLU 10 -8.128 -8.484 -6.331
43 HG3 GLU 10 2HG GLU 10 -7.927 -6.750 -6.581
44 H LYS 11 H LYS 11 -5.817 -4.414 -5.336
45 HA LYS 11 HA LYS 11 -8.213 -2.710 -5.324
46 HB2 LYS 11 1HB LYS 11 -5.432 -1.594 -5.005
47 HB3 LYS 11 2HB LYS 11 -6.966 -0.759 -4.797
48 HG2 LYS 11 1HG LYS 11 -6.059 -3.014 -3.027
49 HG3 LYS 11 2HG LYS 11 -5.744 -1.311 -2.683
50 HD2 LYS 11 1HD LYS 11 -7.934 -0.862 -2.205
51 HD3 LYS 11 2HD LYS 11 -8.541 -2.119 -3.286
52 HE2 LYS 11 1HE LYS 11 -7.852 -3.833 -1.702
53 HE3 LYS 11 2HE LYS 11 -7.179 -2.601 -0.636
54 HZ1 LYS 11 3HZ LYS 11 -9.841 -3.528 -0.810
55 HZ2 LYS 11 1HZ LYS 11 -9.803 -1.868 -1.134
56 HZ3 LYS 11 2HZ LYS 11 -9.160 -2.463 0.313
57 HA PRO 12 HA PRO 12 -7.523 -2.263 -9.638
58 HB2 PRO 12 1HB PRO 12 -8.564 0.208 -10.064
59 HB3 PRO 12 2HB PRO 12 -9.563 -1.211 -9.727
60 HG2 PRO 12 1HG PRO 12 -8.671 0.962 -7.871
61 HG3 PRO 12 2HG PRO 12 -10.263 0.196 -8.012
62 HD2 PRO 12 1HD PRO 12 -8.490 -0.475 -6.079
63 HD3 PRO 12 2HD PRO 12 -9.626 -1.645 -6.780
64 H TYR 13 H TYR 13 -6.503 0.434 -7.583
65 HA TYR 13 HA TYR 13 -4.562 1.283 -9.594
66 HB2 TYR 13 1HB TYR 13 -5.119 2.542 -6.905
67 HB3 TYR 13 2HB TYR 13 -4.257 3.260 -8.262
68 HD1 TYR 13 HD1 TYR 13 -5.507 3.945 -10.295
69 HD2 TYR 13 HD2 TYR 13 -7.500 2.591 -6.789
70 HE1 TYR 13 HE1 TYR 13 -7.608 4.925 -11.118
71 HE2 TYR 13 HE2 TYR 13 -9.607 3.566 -7.602
72 HH TYR 13 HH TYR 13 -10.329 5.348 -9.159
73 H VAL 14 H VAL 14 -2.920 -0.186 -9.556
74 HA VAL 14 HA VAL 14 -1.560 -0.609 -6.976
75 HB VAL 14 HB VAL 14 -2.181 -2.738 -7.716
76 HG11 VAL 14 1HG1 VAL 14 -1.517 -1.713 -10.449
77 HG12 VAL 14 2HG1 VAL 14 -1.575 -3.448 -10.130
78 HG13 VAL 14 3HG1 VAL 14 -3.007 -2.452 -9.865
79 HG21 VAL 14 3HG2 VAL 14 0.412 -2.912 -9.072
80 HG22 VAL 14 1HG2 VAL 14 0.459 -2.102 -7.506
81 HG23 VAL 14 2HG2 VAL 14 -0.174 -3.743 -7.631
82 H CYS 15 H CYS 15 0.531 -0.038 -6.755
83 HA CYS 15 HA CYS 15 1.704 1.720 -8.641
84 HB2 CYS 15 1HB CYS 15 2.188 1.969 -6.284
85 HB3 CYS 15 2HB CYS 15 2.867 0.346 -6.212
86 H ASP 16 H ASP 16 2.880 1.295 -10.382
87 HA ASP 16 HA ASP 16 3.702 -1.445 -10.912
88 HB2 ASP 16 1HB ASP 16 3.852 1.009 -12.677
89 HB3 ASP 16 2HB ASP 16 4.168 -0.648 -13.185
90 H TYR 17 H TYR 17 5.088 0.154 -8.882
91 HA TYR 17 HA TYR 17 7.773 0.224 -10.094
92 HB2 TYR 17 1HB TYR 17 6.816 2.422 -9.236
93 HB3 TYR 17 2HB TYR 17 6.945 1.738 -7.619
94 HD1 TYR 17 HD2 TYR 17 9.411 0.555 -7.288
95 HD2 TYR 17 HD1 TYR 17 8.507 3.875 -9.791
96 HE1 TYR 17 HE2 TYR 17 11.758 1.280 -7.165
97 HE2 TYR 17 HE1 TYR 17 10.852 4.608 -9.676
98 HH TYR 17 HH TYR 17 12.965 3.668 -7.450
99 H CYS 18 H CYS 18 5.942 -0.532 -7.156
100 HA CYS 18 HA CYS 18 8.129 -2.335 -6.348
101 HB2 CYS 18 1HB CYS 18 7.337 -2.061 -4.034
102 HB3 CYS 18 2HB CYS 18 7.799 -0.519 -4.747
103 H GLY 19 H GLY 19 4.598 -1.924 -6.348
104 HA2 GLY 19 1HA GLY 19 3.361 -3.859 -7.315
105 HA3 GLY 19 2HA GLY 19 4.367 -4.870 -6.288
106 H LYS 20 H LYS 20 2.898 -1.803 -5.365
107 HA LYS 20 HA LYS 20 1.405 -3.240 -3.283
108 HB2 LYS 20 1HB LYS 20 2.597 -0.510 -3.472
109 HB3 LYS 20 2HB LYS 20 1.179 -0.731 -2.456
110 HG2 LYS 20 1HG LYS 20 2.327 -2.393 -1.140
111 HG3 LYS 20 2HG LYS 20 3.730 -2.312 -2.209
112 HD2 LYS 20 1HD LYS 20 4.444 -0.914 -0.553
113 HD3 LYS 20 2HD LYS 20 3.602 0.257 -1.571
114 HE2 LYS 20 1HE LYS 20 2.100 -1.170 0.578
115 HE3 LYS 20 2HE LYS 20 3.161 0.170 1.010
116 HZ1 LYS 20 3HZ LYS 20 0.569 0.268 -0.072
117 HZ2 LYS 20 1HZ LYS 20 1.637 0.983 -1.172
118 HZ3 LYS 20 2HZ LYS 20 1.555 1.551 0.419
119 H ALA 21 H ALA 21 -0.780 -2.812 -2.909
120 HA ALA 21 HA ALA 21 -2.196 -1.710 -5.232
121 HB1 ALA 21 3HB ALA 21 -4.151 -2.878 -3.803
122 HB2 ALA 21 1HB ALA 21 -3.173 -3.729 -4.999
123 HB3 ALA 21 2HB ALA 21 -2.772 -3.848 -3.285
124 H PHE 22 H PHE 22 -3.877 -0.217 -4.993
125 HA PHE 22 HA PHE 22 -4.216 1.003 -2.350
126 HB2 PHE 22 1HB PHE 22 -3.608 2.559 -4.873
127 HB3 PHE 22 2HB PHE 22 -3.997 3.259 -3.305
128 HD1 PHE 22 HD2 PHE 22 -2.403 3.105 -1.449
129 HD2 PHE 22 HD1 PHE 22 -1.440 1.689 -5.346
130 HE1 PHE 22 HE2 PHE 22 -0.018 3.074 -0.845
131 HE2 PHE 22 HE1 PHE 22 0.947 1.655 -4.747
132 HZ PHE 22 HZ PHE 22 1.661 2.349 -2.495
133 H GLY 23 H GLY 23 -6.290 1.352 -1.882
134 HA2 GLY 23 1HA GLY 23 -8.344 0.673 -3.725
135 HA3 GLY 23 2HA GLY 23 -8.576 1.369 -2.129
136 H LEU 24 H LEU 24 -6.725 3.630 -3.021
137 HA LEU 24 HA LEU 24 -8.694 5.071 -4.673
138 HB2 LEU 24 1HB LEU 24 -7.174 5.996 -2.252
139 HB3 LEU 24 2HB LEU 24 -7.893 7.126 -3.398
140 HG LEU 24 HG LEU 24 -9.528 5.032 -1.991
141 HD11 LEU 24 1HD1 LEU 24 -9.803 6.306 -0.138
142 HD12 LEU 24 2HD1 LEU 24 -9.531 7.820 -1.000
143 HD13 LEU 24 3HD1 LEU 24 -8.162 6.806 -0.547
144 HD21 LEU 24 3HD2 LEU 24 -11.373 6.441 -2.561
145 HD22 LEU 24 1HD2 LEU 24 -10.417 6.182 -4.021
146 HD23 LEU 24 2HD2 LEU 24 -10.294 7.708 -3.146
147 H SER 25 H SER 25 -7.903 6.542 -6.178
148 HA SER 25 HA SER 25 -5.452 5.910 -7.388
149 HB2 SER 25 1HB SER 25 -5.863 7.935 -8.782
150 HB3 SER 25 2HB SER 25 -7.269 6.876 -8.678
151 HG SER 25 HG SER 25 -8.308 8.337 -7.515
152 H ALA 26 H ALA 26 -6.384 8.874 -5.636
153 HA ALA 26 HA ALA 26 -3.954 10.175 -5.660
154 HB1 ALA 26 3HB ALA 26 -6.405 10.586 -4.456
155 HB2 ALA 26 1HB ALA 26 -5.287 10.465 -3.098
156 HB3 ALA 26 2HB ALA 26 -5.006 11.656 -4.369
157 H GLU 27 H GLU 27 -5.094 7.702 -3.394
158 HA GLU 27 HA GLU 27 -3.030 7.777 -1.547
159 HB2 GLU 27 1HB GLU 27 -4.853 5.608 -2.512
160 HB3 GLU 27 2HB GLU 27 -3.541 5.204 -1.414
161 HG2 GLU 27 1HG GLU 27 -5.911 5.785 -0.499
162 HG3 GLU 27 2HG GLU 27 -4.464 6.344 0.337
163 H LEU 28 H LEU 28 -3.123 6.352 -4.744
164 HA LEU 28 HA LEU 28 -0.656 4.917 -4.451
165 HB2 LEU 28 1HB LEU 28 -2.145 4.010 -6.014
166 HB3 LEU 28 2HB LEU 28 -2.446 5.576 -6.765
167 HG LEU 28 HG LEU 28 -0.029 5.481 -7.562
168 HD11 LEU 28 1HD1 LEU 28 0.243 3.406 -5.892
169 HD12 LEU 28 2HD1 LEU 28 1.231 3.620 -7.336
170 HD13 LEU 28 3HD1 LEU 28 -0.160 2.537 -7.374
171 HD21 LEU 28 3HD2 LEU 28 -0.963 3.365 -9.114
172 HD22 LEU 28 1HD2 LEU 28 -1.165 5.088 -9.431
173 HD23 LEU 28 2HD2 LEU 28 -2.414 4.200 -8.558
174 H VAL 29 H VAL 29 -1.611 7.792 -6.335
175 HA VAL 29 HA VAL 29 0.865 8.492 -7.333
176 HB VAL 29 HB VAL 29 -1.293 10.395 -6.409
177 HG11 VAL 29 1HG1 VAL 29 0.577 10.964 -8.658
178 HG12 VAL 29 2HG1 VAL 29 -0.268 12.079 -7.582
179 HG13 VAL 29 3HG1 VAL 29 1.141 11.189 -7.003
180 HG21 VAL 29 3HG2 VAL 29 -1.384 10.155 -9.175
181 HG22 VAL 29 1HG2 VAL 29 -1.169 8.503 -8.595
182 HG23 VAL 29 2HG2 VAL 29 -2.527 9.470 -8.019
183 H ARG 30 H ARG 30 -0.563 9.331 -4.200
184 HA ARG 30 HA ARG 30 1.556 11.003 -3.345
185 HB2 ARG 30 1HB ARG 30 0.543 10.918 -1.175
186 HB3 ARG 30 2HB ARG 30 -0.747 10.971 -2.369
187 HG2 ARG 30 1HG ARG 30 -1.259 8.689 -2.063
188 HG3 ARG 30 2HG ARG 30 0.227 8.403 -1.155
189 HD2 ARG 30 1HD ARG 30 -2.070 10.146 -0.267
190 HD3 ARG 30 2HD ARG 30 -1.741 8.512 0.307
191 HE ARG 30 HE ARG 30 0.561 9.822 0.839
192 HH11 ARG 30 1HH1 ARG 30 -2.782 10.483 1.553
193 HH12 ARG 30 2HH1 ARG 30 -2.436 11.328 3.025
194 HH21 ARG 30 1HH2 ARG 30 1.029 10.933 2.776
195 HH22 ARG 30 2HH2 ARG 30 -0.268 11.584 3.719
196 H HIS 31 H HIS 31 1.169 7.584 -3.486
197 HA HIS 31 HA HIS 31 3.197 7.001 -1.516
198 HB2 HIS 31 1HB HIS 31 1.694 5.259 -1.583
199 HB3 HIS 31 2HB HIS 31 1.442 5.401 -3.320
200 HD1 HIS 31 HD1 HIS 31 3.781 3.899 -0.796
201 HD2 HIS 31 HD2 HIS 31 3.112 3.843 -4.896
202 HE1 HIS 31 HE1 HIS 31 5.216 2.036 -1.686
203 H GLN 32 H GLN 32 2.923 6.775 -5.055
204 HA GLN 32 HA GLN 32 5.351 5.734 -5.724
205 HB2 GLN 32 1HB GLN 32 3.748 7.911 -7.052
206 HB3 GLN 32 2HB GLN 32 5.223 7.273 -7.767
207 HG2 GLN 32 1HG GLN 32 4.071 4.971 -7.472
208 HG3 GLN 32 2HG GLN 32 2.595 5.926 -7.339
209 HE21 GLN 32 1HE2 GLN 32 1.617 5.445 -9.213
210 HE22 GLN 32 2HE2 GLN 32 2.280 5.757 -10.777
211 H ARG 33 H ARG 33 4.748 8.752 -4.207
212 HA ARG 33 HA ARG 33 6.887 10.320 -4.960
213 HB2 ARG 33 1HB ARG 33 5.492 10.011 -2.309
214 HB3 ARG 33 2HB ARG 33 6.778 11.186 -2.548
215 HG2 ARG 33 1HG ARG 33 5.360 12.001 -4.540
216 HG3 ARG 33 2HG ARG 33 4.051 11.104 -3.768
217 HD2 ARG 33 1HD ARG 33 3.759 13.163 -2.810
218 HD3 ARG 33 2HD ARG 33 4.846 12.420 -1.637
219 HE ARG 33 HE ARG 33 6.421 13.975 -2.190
220 HH11 ARG 33 1HH1 ARG 33 4.057 13.823 -4.741
221 HH12 ARG 33 2HH1 ARG 33 4.722 15.163 -5.615
222 HH21 ARG 33 1HH2 ARG 33 7.307 15.740 -3.332
223 HH22 ARG 33 2HH2 ARG 33 6.571 16.252 -4.813
224 H ILE 34 H ILE 34 6.810 7.698 -2.588
225 HA ILE 34 HA ILE 34 9.428 8.023 -1.608
226 HB ILE 34 HB ILE 34 9.245 5.794 -0.717
227 HG12 ILE 34 1HG1 ILE 34 6.634 5.294 -2.071
228 HG13 ILE 34 2HG1 ILE 34 8.108 5.033 -2.996
229 HG21 ILE 34 1HG2 ILE 34 7.963 6.830 0.782
230 HG22 ILE 34 2HG2 ILE 34 7.123 7.754 -0.462
231 HG23 ILE 34 3HG2 ILE 34 6.582 6.124 -0.059
232 HD11 ILE 34 3HD1 ILE 34 8.603 3.756 -0.602
233 HD12 ILE 34 1HD1 ILE 34 6.903 3.414 -0.925
234 HD13 ILE 34 2HD1 ILE 34 8.130 2.997 -2.122
235 H HIS 35 H HIS 35 8.261 6.831 -4.592
236 HA HIS 35 HA HIS 35 10.672 5.303 -5.165
237 HB2 HIS 35 1HB HIS 35 8.137 5.806 -6.724
238 HB3 HIS 35 2HB HIS 35 9.517 4.946 -7.400
239 HD1 HIS 35 HD1 HIS 35 10.271 3.144 -5.056
240 HD2 HIS 35 HD2 HIS 35 6.359 3.802 -6.291
241 HE1 HIS 35 HE1 HIS 35 8.963 1.159 -4.234
242 H THR 36 H THR 36 9.521 8.474 -5.494
243 HA THR 36 HA THR 36 11.560 9.063 -7.541
244 HB THR 36 HB THR 36 10.259 11.105 -8.070
245 HG1 THR 36 HG1 THR 36 8.725 10.138 -5.954
246 HG21 THR 36 3HG2 THR 36 8.936 10.023 -9.569
247 HG22 THR 36 1HG2 THR 36 8.248 8.949 -8.353
248 HG23 THR 36 2HG2 THR 36 9.853 8.626 -9.007
249 H GLY 37 H GLY 37 13.208 9.267 -5.952
250 HA2 GLY 37 1HA GLY 37 14.084 11.648 -5.194
251 HA3 GLY 37 2HA GLY 37 12.889 11.358 -3.939
252 H GLU 38 H GLU 38 15.802 10.004 -5.432
253 HA GLU 38 HA GLU 38 16.286 8.356 -3.079
254 HB2 GLU 38 1HB GLU 38 16.667 7.651 -5.545
255 HB3 GLU 38 2HB GLU 38 18.145 8.596 -5.426
256 HG2 GLU 38 1HG GLU 38 17.461 6.387 -3.510
257 HG3 GLU 38 2HG GLU 38 18.364 6.126 -5.001
258 H LYS 39 H LYS 39 17.193 11.392 -4.370
259 HA LYS 39 HA LYS 39 19.297 11.637 -2.321
260 HB2 LYS 39 1HB LYS 39 20.217 13.443 -3.948
261 HB3 LYS 39 2HB LYS 39 20.540 11.746 -4.280
262 HG2 LYS 39 1HG LYS 39 18.760 11.695 -5.919
263 HG3 LYS 39 2HG LYS 39 18.340 13.369 -5.545
264 HD2 LYS 39 1HD LYS 39 20.386 14.173 -6.434
265 HD3 LYS 39 2HD LYS 39 21.068 12.547 -6.520
266 HE2 LYS 39 1HE LYS 39 18.601 13.281 -8.059
267 HE3 LYS 39 2HE LYS 39 20.207 13.645 -8.688
268 HZ1 LYS 39 3HZ LYS 39 19.644 10.922 -7.755
269 HZ2 LYS 39 1HZ LYS 39 20.698 11.447 -8.970
270 HZ3 LYS 39 2HZ LYS 39 19.031 11.404 -9.256
271 HA PRO 40 HA PRO 40 17.027 15.026 -0.686
272 HB2 PRO 40 1HB PRO 40 19.046 16.480 0.402
273 HB3 PRO 40 2HB PRO 40 18.473 14.959 1.098
274 HG2 PRO 40 1HG PRO 40 20.854 15.467 -0.643
275 HG3 PRO 40 2HG PRO 40 20.722 14.448 0.802
276 HD2 PRO 40 1HD PRO 40 20.663 13.433 -1.708
277 HD3 PRO 40 2HD PRO 40 19.762 12.705 -0.362
278 H SER 41 H SER 41 19.489 15.484 -3.060
279 HA SER 41 HA SER 41 18.662 18.270 -3.492
280 HB2 SER 41 1HB SER 41 21.098 16.721 -4.381
281 HB3 SER 41 2HB SER 41 20.695 18.313 -5.025
282 HG SER 41 HG SER 41 20.991 19.199 -3.036
283 H GLY 42 H GLY 42 17.501 18.837 -5.227
284 HA2 GLY 42 1HA GLY 42 17.056 16.771 -7.292
285 HA3 GLY 42 2HA GLY 42 15.828 17.916 -6.773
286 HA PRO 43 HA PRO 43 19.035 20.488 -9.321
287 HB2 PRO 43 1HB PRO 43 20.967 19.087 -10.617
288 HB3 PRO 43 2HB PRO 43 21.170 19.712 -8.976
289 HG2 PRO 43 1HG PRO 43 20.452 16.948 -9.874
290 HG3 PRO 43 2HG PRO 43 21.581 17.454 -8.603
291 HD2 PRO 43 1HD PRO 43 19.073 16.587 -8.064
292 HD3 PRO 43 2HD PRO 43 19.894 17.809 -7.072
293 H SER 44 H SER 44 17.564 17.552 -10.221
294 HA SER 44 HA SER 44 16.968 18.646 -12.872
295 HB2 SER 44 1HB SER 44 18.854 16.893 -12.931
296 HB3 SER 44 2HB SER 44 17.599 15.717 -12.538
297 HG SER 44 HG SER 44 17.343 17.510 -14.708
298 H SER 45 H SER 45 15.019 17.845 -13.811
299 HA SER 45 HA SER 45 12.829 17.227 -13.773
300 HB2 SER 45 1HB SER 45 14.038 15.246 -11.868
301 HB3 SER 45 2HB SER 45 12.290 15.297 -12.097
302 HG SER 45 HG SER 45 12.836 13.977 -13.678
303 H GLY 46 H GLY 46 13.553 19.490 -12.296
304 HA2 GLY 46 1HA GLY 46 11.258 19.736 -10.600
305 HA3 GLY 46 2HA GLY 46 12.753 19.695 -9.679
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -3.590 -13.367 -10.966
2 HA2 GLY 1 1HA GLY 1 -2.470 -15.515 -10.934
3 HA3 GLY 1 2HA GLY 1 -1.576 -14.969 -9.523
4 H SER 2 H SER 2 -4.036 -16.914 -10.525
5 HA SER 2 HA SER 2 -4.927 -17.373 -7.827
6 HB2 SER 2 1HB SER 2 -6.479 -15.631 -8.243
7 HB3 SER 2 2HB SER 2 -6.782 -16.187 -9.889
8 HG SER 2 HG SER 2 -7.945 -16.961 -7.552
9 H SER 3 H SER 3 -4.583 -19.501 -7.810
10 HA SER 3 HA SER 3 -4.391 -21.334 -9.735
11 HB2 SER 3 1HB SER 3 -5.743 -21.618 -7.054
12 HB3 SER 3 2HB SER 3 -5.484 -23.000 -8.119
13 HG SER 3 HG SER 3 -3.248 -22.535 -8.049
14 H GLY 4 H GLY 4 -7.499 -20.272 -8.375
15 HA2 GLY 4 1HA GLY 4 -8.876 -20.483 -10.821
16 HA3 GLY 4 2HA GLY 4 -9.156 -21.947 -9.892
17 H SER 5 H SER 5 -9.344 -21.026 -7.336
18 HA SER 5 HA SER 5 -11.920 -20.378 -6.939
19 HB2 SER 5 1HB SER 5 -11.296 -19.412 -4.767
20 HB3 SER 5 2HB SER 5 -10.349 -20.860 -5.106
21 HG SER 5 HG SER 5 -9.268 -18.441 -5.940
22 H SER 6 H SER 6 -13.220 -18.794 -7.552
23 HA SER 6 HA SER 6 -12.128 -16.328 -8.600
24 HB2 SER 6 1HB SER 6 -14.969 -17.350 -8.391
25 HB3 SER 6 2HB SER 6 -14.518 -15.824 -9.152
26 HG SER 6 HG SER 6 -14.571 -18.191 -10.268
27 H GLY 7 H GLY 7 -11.485 -16.403 -5.983
28 HA2 GLY 7 1HA GLY 7 -13.341 -15.336 -4.171
29 HA3 GLY 7 2HA GLY 7 -11.595 -15.191 -4.038
30 H SER 8 H SER 8 -12.478 -13.090 -3.064
31 HA SER 8 HA SER 8 -12.373 -11.051 -5.170
32 HB2 SER 8 1HB SER 8 -14.137 -9.747 -4.094
33 HB3 SER 8 2HB SER 8 -14.746 -11.344 -4.524
34 HG SER 8 HG SER 8 -13.936 -10.436 -1.963
35 H GLY 9 H GLY 9 -11.812 -8.885 -4.319
36 HA2 GLY 9 1HA GLY 9 -10.997 -7.616 -2.375
37 HA3 GLY 9 2HA GLY 9 -10.193 -9.090 -1.855
38 H GLU 10 H GLU 10 -10.269 -6.728 -4.505
39 HA GLU 10 HA GLU 10 -7.363 -6.756 -4.572
40 HB2 GLU 10 1HB GLU 10 -9.028 -7.382 -7.017
41 HB3 GLU 10 2HB GLU 10 -7.297 -7.073 -7.024
42 HG2 GLU 10 1HG GLU 10 -7.146 -9.035 -5.377
43 HG3 GLU 10 2HG GLU 10 -8.780 -9.421 -5.913
44 H LYS 11 H LYS 11 -6.574 -4.773 -4.897
45 HA LYS 11 HA LYS 11 -8.435 -2.608 -5.412
46 HB2 LYS 11 1HB LYS 11 -5.468 -2.457 -4.860
47 HB3 LYS 11 2HB LYS 11 -6.625 -1.136 -4.772
48 HG2 LYS 11 1HG LYS 11 -6.785 -3.575 -3.024
49 HG3 LYS 11 2HG LYS 11 -5.905 -2.112 -2.574
50 HD2 LYS 11 1HD LYS 11 -7.849 -0.837 -2.441
51 HD3 LYS 11 2HD LYS 11 -8.774 -1.970 -3.429
52 HE2 LYS 11 1HE LYS 11 -9.590 -2.415 -1.320
53 HE3 LYS 11 2HE LYS 11 -8.316 -3.624 -1.471
54 HZ1 LYS 11 3HZ LYS 11 -7.417 -2.798 0.360
55 HZ2 LYS 11 1HZ LYS 11 -8.574 -1.566 0.436
56 HZ3 LYS 11 2HZ LYS 11 -7.144 -1.330 -0.434
57 HA PRO 12 HA PRO 12 -7.484 -2.166 -9.689
58 HB2 PRO 12 1HB PRO 12 -8.184 0.437 -10.012
59 HB3 PRO 12 2HB PRO 12 -9.370 -0.859 -9.817
60 HG2 PRO 12 1HG PRO 12 -8.327 1.074 -7.784
61 HG3 PRO 12 2HG PRO 12 -9.991 0.526 -8.056
62 HD2 PRO 12 1HD PRO 12 -8.432 -0.473 -6.080
63 HD3 PRO 12 2HD PRO 12 -9.661 -1.447 -6.911
64 H TYR 13 H TYR 13 -6.481 0.628 -7.704
65 HA TYR 13 HA TYR 13 -4.323 1.294 -9.461
66 HB2 TYR 13 1HB TYR 13 -4.721 2.240 -6.620
67 HB3 TYR 13 2HB TYR 13 -3.801 3.034 -7.893
68 HD1 TYR 13 HD2 TYR 13 -7.160 2.326 -6.603
69 HD2 TYR 13 HD1 TYR 13 -4.914 4.311 -9.623
70 HE1 TYR 13 HE2 TYR 13 -9.156 3.618 -7.230
71 HE2 TYR 13 HE1 TYR 13 -6.904 5.610 -10.257
72 HH TYR 13 HH TYR 13 -9.162 5.749 -10.029
73 H VAL 14 H VAL 14 -2.741 -0.185 -9.649
74 HA VAL 14 HA VAL 14 -1.469 -1.142 -7.166
75 HB VAL 14 HB VAL 14 -1.794 -2.542 -9.816
76 HG11 VAL 14 1HG1 VAL 14 0.476 -2.919 -9.216
77 HG12 VAL 14 2HG1 VAL 14 0.050 -3.204 -7.528
78 HG13 VAL 14 3HG1 VAL 14 -0.423 -4.368 -8.767
79 HG21 VAL 14 3HG2 VAL 14 -3.091 -2.681 -7.243
80 HG22 VAL 14 1HG2 VAL 14 -3.532 -3.452 -8.767
81 HG23 VAL 14 2HG2 VAL 14 -2.386 -4.237 -7.680
82 H CYS 15 H CYS 15 0.317 0.024 -6.858
83 HA CYS 15 HA CYS 15 1.740 1.458 -8.760
84 HB2 CYS 15 1HB CYS 15 1.911 1.684 -6.258
85 HB3 CYS 15 2HB CYS 15 2.926 0.246 -6.260
86 H ASP 16 H ASP 16 2.719 0.707 -10.512
87 HA ASP 16 HA ASP 16 3.614 -1.996 -10.751
88 HB2 ASP 16 1HB ASP 16 4.287 0.284 -12.611
89 HB3 ASP 16 2HB ASP 16 4.219 -1.435 -12.990
90 H TYR 17 H TYR 17 5.003 0.840 -9.515
91 HA TYR 17 HA TYR 17 7.717 0.436 -10.174
92 HB2 TYR 17 1HB TYR 17 6.497 2.499 -9.116
93 HB3 TYR 17 2HB TYR 17 6.890 1.712 -7.591
94 HD1 TYR 17 HD2 TYR 17 9.407 1.002 -7.319
95 HD2 TYR 17 HD1 TYR 17 8.031 3.960 -10.050
96 HE1 TYR 17 HE2 TYR 17 11.665 1.975 -7.394
97 HE2 TYR 17 HE1 TYR 17 10.285 4.940 -10.134
98 HH TYR 17 HH TYR 17 12.680 4.084 -9.723
99 H CYS 18 H CYS 18 6.050 -0.181 -7.078
100 HA CYS 18 HA CYS 18 8.129 -2.159 -6.442
101 HB2 CYS 18 1HB CYS 18 7.253 -1.942 -4.094
102 HB3 CYS 18 2HB CYS 18 7.968 -0.473 -4.749
103 H GLY 19 H GLY 19 4.666 -1.699 -6.779
104 HA2 GLY 19 1HA GLY 19 3.327 -3.538 -7.595
105 HA3 GLY 19 2HA GLY 19 4.355 -4.629 -6.679
106 H LYS 20 H LYS 20 2.954 -1.604 -5.526
107 HA LYS 20 HA LYS 20 1.667 -3.091 -3.366
108 HB2 LYS 20 1HB LYS 20 2.570 -0.283 -3.756
109 HB3 LYS 20 2HB LYS 20 1.202 -0.550 -2.684
110 HG2 LYS 20 1HG LYS 20 2.777 -2.359 -1.629
111 HG3 LYS 20 2HG LYS 20 4.042 -1.384 -2.380
112 HD2 LYS 20 1HD LYS 20 3.246 0.590 -1.200
113 HD3 LYS 20 2HD LYS 20 1.929 -0.346 -0.489
114 HE2 LYS 20 1HE LYS 20 4.821 -1.070 -0.097
115 HE3 LYS 20 2HE LYS 20 3.978 0.056 0.966
116 HZ1 LYS 20 3HZ LYS 20 2.331 -1.725 1.377
117 HZ2 LYS 20 1HZ LYS 20 3.886 -2.113 1.919
118 HZ3 LYS 20 2HZ LYS 20 3.295 -2.792 0.487
119 H ALA 21 H ALA 21 -0.490 -2.075 -2.614
120 HA ALA 21 HA ALA 21 -2.184 -1.575 -4.974
121 HB1 ALA 21 3HB ALA 21 -3.800 -2.742 -3.006
122 HB2 ALA 21 1HB ALA 21 -3.268 -3.459 -4.527
123 HB3 ALA 21 2HB ALA 21 -2.325 -3.707 -3.057
124 H PHE 22 H PHE 22 -4.088 -0.306 -4.609
125 HA PHE 22 HA PHE 22 -4.467 1.035 -2.096
126 HB2 PHE 22 1HB PHE 22 -3.583 2.693 -4.465
127 HB3 PHE 22 2HB PHE 22 -4.001 3.288 -2.861
128 HD1 PHE 22 HD2 PHE 22 -2.513 2.821 -0.946
129 HD2 PHE 22 HD1 PHE 22 -1.436 1.809 -4.937
130 HE1 PHE 22 HE2 PHE 22 -0.163 2.601 -0.252
131 HE2 PHE 22 HE1 PHE 22 0.916 1.586 -4.249
132 HZ PHE 22 HZ PHE 22 1.555 1.984 -1.904
133 H GLY 23 H GLY 23 -6.574 1.410 -1.869
134 HA2 GLY 23 1HA GLY 23 -8.402 0.896 -3.985
135 HA3 GLY 23 2HA GLY 23 -8.811 1.513 -2.391
136 H LEU 24 H LEU 24 -7.195 3.864 -2.504
137 HA LEU 24 HA LEU 24 -8.866 5.452 -4.310
138 HB2 LEU 24 1HB LEU 24 -8.458 5.833 -1.728
139 HB3 LEU 24 2HB LEU 24 -7.033 6.687 -2.318
140 HG LEU 24 HG LEU 24 -9.024 8.129 -1.840
141 HD11 LEU 24 1HD1 LEU 24 -8.257 8.227 -4.741
142 HD12 LEU 24 2HD1 LEU 24 -7.131 8.655 -3.454
143 HD13 LEU 24 3HD1 LEU 24 -8.628 9.564 -3.653
144 HD21 LEU 24 3HD2 LEU 24 -10.436 6.205 -3.164
145 HD22 LEU 24 1HD2 LEU 24 -10.285 7.461 -4.393
146 HD23 LEU 24 2HD2 LEU 24 -11.011 7.839 -2.831
147 H SER 25 H SER 25 -8.069 6.473 -6.039
148 HA SER 25 HA SER 25 -5.638 5.890 -7.178
149 HB2 SER 25 1HB SER 25 -7.598 6.990 -8.310
150 HB3 SER 25 2HB SER 25 -7.104 8.509 -7.563
151 HG SER 25 HG SER 25 -5.628 6.933 -9.403
152 H ALA 26 H ALA 26 -6.441 8.947 -5.520
153 HA ALA 26 HA ALA 26 -4.100 10.274 -5.568
154 HB1 ALA 26 3HB ALA 26 -5.660 9.981 -3.011
155 HB2 ALA 26 1HB ALA 26 -4.702 11.362 -3.547
156 HB3 ALA 26 2HB ALA 26 -6.206 10.956 -4.375
157 H GLU 27 H GLU 27 -4.881 7.891 -3.024
158 HA GLU 27 HA GLU 27 -2.616 7.827 -1.573
159 HB2 GLU 27 1HB GLU 27 -4.279 5.513 -2.552
160 HB3 GLU 27 2HB GLU 27 -2.955 5.297 -1.415
161 HG2 GLU 27 1HG GLU 27 -4.122 7.024 0.035
162 HG3 GLU 27 2HG GLU 27 -5.514 6.812 -1.026
163 H LEU 28 H LEU 28 -3.046 6.138 -4.671
164 HA LEU 28 HA LEU 28 -0.461 5.024 -4.778
165 HB2 LEU 28 1HB LEU 28 -2.202 4.151 -6.165
166 HB3 LEU 28 2HB LEU 28 -2.436 5.714 -6.944
167 HG LEU 28 HG LEU 28 -0.084 5.451 -7.859
168 HD11 LEU 28 1HD1 LEU 28 -0.534 2.629 -6.902
169 HD12 LEU 28 2HD1 LEU 28 0.725 3.739 -6.363
170 HD13 LEU 28 3HD1 LEU 28 0.736 3.132 -8.018
171 HD21 LEU 28 3HD2 LEU 28 -1.473 3.222 -9.079
172 HD22 LEU 28 1HD2 LEU 28 -1.081 4.808 -9.742
173 HD23 LEU 28 2HD2 LEU 28 -2.549 4.589 -8.790
174 H VAL 29 H VAL 29 -1.796 7.964 -6.279
175 HA VAL 29 HA VAL 29 0.493 8.829 -7.593
176 HB VAL 29 HB VAL 29 -1.635 10.542 -6.301
177 HG11 VAL 29 1HG1 VAL 29 -0.030 12.097 -6.787
178 HG12 VAL 29 2HG1 VAL 29 0.648 11.147 -8.111
179 HG13 VAL 29 3HG1 VAL 29 -0.864 12.026 -8.339
180 HG21 VAL 29 3HG2 VAL 29 -1.516 9.849 -9.207
181 HG22 VAL 29 1HG2 VAL 29 -2.245 8.726 -8.058
182 HG23 VAL 29 2HG2 VAL 29 -2.895 10.356 -8.232
183 H ARG 30 H ARG 30 -0.521 9.351 -4.247
184 HA ARG 30 HA ARG 30 1.749 11.019 -3.644
185 HB2 ARG 30 1HB ARG 30 0.032 11.627 -2.264
186 HB3 ARG 30 2HB ARG 30 -0.616 9.995 -2.172
187 HG2 ARG 30 1HG ARG 30 0.697 9.420 -0.405
188 HG3 ARG 30 2HG ARG 30 1.998 10.517 -0.873
189 HD2 ARG 30 1HD ARG 30 -0.665 11.462 0.165
190 HD3 ARG 30 2HD ARG 30 0.718 11.143 1.211
191 HE ARG 30 HE ARG 30 1.491 12.887 -0.856
192 HH11 ARG 30 1HH1 ARG 30 -0.455 12.820 2.029
193 HH12 ARG 30 2HH1 ARG 30 -0.257 14.509 2.359
194 HH21 ARG 30 1HH2 ARG 30 1.760 15.112 -0.433
195 HH22 ARG 30 2HH2 ARG 30 1.002 15.812 0.957
196 H HIS 31 H HIS 31 0.940 7.644 -3.454
197 HA HIS 31 HA HIS 31 2.955 6.881 -1.601
198 HB2 HIS 31 1HB HIS 31 1.346 5.246 -1.766
199 HB3 HIS 31 2HB HIS 31 1.152 5.460 -3.503
200 HD1 HIS 31 HD1 HIS 31 3.381 3.771 -0.983
201 HD2 HIS 31 HD2 HIS 31 2.691 3.796 -5.080
202 HE1 HIS 31 HE1 HIS 31 4.697 1.833 -1.898
203 H GLN 32 H GLN 32 2.765 6.485 -5.143
204 HA GLN 32 HA GLN 32 5.169 5.411 -5.725
205 HB2 GLN 32 1HB GLN 32 3.859 7.714 -7.180
206 HB3 GLN 32 2HB GLN 32 5.151 6.719 -7.840
207 HG2 GLN 32 1HG GLN 32 3.785 4.838 -7.999
208 HG3 GLN 32 2HG GLN 32 2.586 5.502 -6.891
209 HE21 GLN 32 1HE2 GLN 32 2.863 4.623 -9.906
210 HE22 GLN 32 2HE2 GLN 32 1.909 5.816 -10.713
211 H ARG 33 H ARG 33 4.619 8.564 -4.413
212 HA ARG 33 HA ARG 33 6.887 9.958 -5.106
213 HB2 ARG 33 1HB ARG 33 5.451 9.901 -2.447
214 HB3 ARG 33 2HB ARG 33 6.660 11.098 -2.891
215 HG2 ARG 33 1HG ARG 33 5.191 11.687 -4.851
216 HG3 ARG 33 2HG ARG 33 3.950 10.670 -4.115
217 HD2 ARG 33 1HD ARG 33 3.441 12.814 -3.351
218 HD3 ARG 33 2HD ARG 33 4.321 12.086 -2.009
219 HE ARG 33 HE ARG 33 6.288 13.325 -3.318
220 HH11 ARG 33 1HH1 ARG 33 3.119 14.417 -2.381
221 HH12 ARG 33 2HH1 ARG 33 3.597 16.073 -2.209
222 HH21 ARG 33 1HH2 ARG 33 6.931 15.502 -3.096
223 HH22 ARG 33 2HH2 ARG 33 5.766 16.689 -2.618
224 H ILE 34 H ILE 34 6.509 7.563 -2.521
225 HA ILE 34 HA ILE 34 8.949 7.764 -1.268
226 HB ILE 34 HB ILE 34 8.715 5.467 -0.582
227 HG12 ILE 34 1HG1 ILE 34 6.380 5.047 -2.408
228 HG13 ILE 34 2HG1 ILE 34 8.009 4.816 -3.034
229 HG21 ILE 34 1HG2 ILE 34 7.216 7.070 0.455
230 HG22 ILE 34 2HG2 ILE 34 6.028 6.813 -0.822
231 HG23 ILE 34 3HG2 ILE 34 6.420 5.504 0.294
232 HD11 ILE 34 3HD1 ILE 34 7.696 3.469 -0.516
233 HD12 ILE 34 1HD1 ILE 34 6.444 2.974 -1.655
234 HD13 ILE 34 2HD1 ILE 34 8.146 2.820 -2.092
235 H HIS 35 H HIS 35 8.285 6.679 -4.461
236 HA HIS 35 HA HIS 35 10.799 5.266 -4.757
237 HB2 HIS 35 1HB HIS 35 8.733 6.000 -6.842
238 HB3 HIS 35 2HB HIS 35 10.083 4.892 -7.067
239 HD1 HIS 35 HD1 HIS 35 9.859 3.121 -4.628
240 HD2 HIS 35 HD2 HIS 35 6.567 4.378 -6.829
241 HE1 HIS 35 HE1 HIS 35 8.052 1.437 -4.155
242 H THR 36 H THR 36 9.469 8.414 -5.405
243 HA THR 36 HA THR 36 11.737 9.200 -7.050
244 HB THR 36 HB THR 36 10.585 11.431 -7.111
245 HG1 THR 36 HG1 THR 36 8.557 11.603 -6.204
246 HG21 THR 36 3HG2 THR 36 10.195 9.399 -8.697
247 HG22 THR 36 1HG2 THR 36 9.111 10.787 -8.779
248 HG23 THR 36 2HG2 THR 36 8.614 9.329 -7.919
249 H GLY 37 H GLY 37 10.172 10.548 -4.132
250 HA2 GLY 37 1HA GLY 37 11.047 11.720 -2.361
251 HA3 GLY 37 2HA GLY 37 12.419 10.631 -2.510
252 H GLU 38 H GLU 38 13.488 12.653 -1.679
253 HA GLU 38 HA GLU 38 13.943 14.665 -3.749
254 HB2 GLU 38 1HB GLU 38 15.073 15.943 -1.999
255 HB3 GLU 38 2HB GLU 38 13.466 15.456 -1.480
256 HG2 GLU 38 1HG GLU 38 14.802 13.419 -0.460
257 HG3 GLU 38 2HG GLU 38 16.124 14.585 -0.500
258 H LYS 39 H LYS 39 15.066 12.939 -5.021
259 HA LYS 39 HA LYS 39 17.918 12.910 -4.305
260 HB2 LYS 39 1HB LYS 39 16.516 10.679 -4.038
261 HB3 LYS 39 2HB LYS 39 16.760 10.585 -5.777
262 HG2 LYS 39 1HG LYS 39 19.093 10.455 -5.553
263 HG3 LYS 39 2HG LYS 39 19.042 10.982 -3.869
264 HD2 LYS 39 1HD LYS 39 17.909 8.901 -3.254
265 HD3 LYS 39 2HD LYS 39 17.955 8.376 -4.939
266 HE2 LYS 39 1HE LYS 39 20.509 9.157 -3.625
267 HE3 LYS 39 2HE LYS 39 19.785 7.608 -3.193
268 HZ1 LYS 39 3HZ LYS 39 19.653 7.259 -5.715
269 HZ2 LYS 39 1HZ LYS 39 21.160 7.091 -4.962
270 HZ3 LYS 39 2HZ LYS 39 20.793 8.505 -5.815
271 HA PRO 40 HA PRO 40 18.468 14.562 -8.354
272 HB2 PRO 40 1HB PRO 40 21.105 13.997 -8.668
273 HB3 PRO 40 2HB PRO 40 20.518 15.286 -7.611
274 HG2 PRO 40 1HG PRO 40 21.390 12.510 -6.908
275 HG3 PRO 40 2HG PRO 40 21.750 14.038 -6.083
276 HD2 PRO 40 1HD PRO 40 19.845 12.324 -5.209
277 HD3 PRO 40 2HD PRO 40 19.712 14.083 -5.008
278 H SER 41 H SER 41 18.675 11.275 -7.584
279 HA SER 41 HA SER 41 19.478 10.364 -10.207
280 HB2 SER 41 1HB SER 41 18.586 8.977 -7.687
281 HB3 SER 41 2HB SER 41 18.776 8.093 -9.201
282 HG SER 41 HG SER 41 20.699 7.998 -8.054
283 H GLY 42 H GLY 42 17.240 12.072 -10.284
284 HA2 GLY 42 1HA GLY 42 15.351 10.293 -11.605
285 HA3 GLY 42 2HA GLY 42 14.714 11.219 -10.254
286 HA PRO 43 HA PRO 43 14.838 13.648 -14.379
287 HB2 PRO 43 1HB PRO 43 12.273 13.287 -15.190
288 HB3 PRO 43 2HB PRO 43 13.596 12.226 -15.688
289 HG2 PRO 43 1HG PRO 43 11.551 11.822 -13.540
290 HG3 PRO 43 2HG PRO 43 12.161 10.664 -14.736
291 HD2 PRO 43 1HD PRO 43 13.030 10.705 -12.172
292 HD3 PRO 43 2HD PRO 43 14.075 10.232 -13.527
293 H SER 44 H SER 44 14.974 15.480 -13.079
294 HA SER 44 HA SER 44 12.445 16.478 -11.951
295 HB2 SER 44 1HB SER 44 13.719 17.786 -10.415
296 HB3 SER 44 2HB SER 44 14.445 16.179 -10.417
297 HG SER 44 HG SER 44 15.974 17.931 -10.567
298 H SER 45 H SER 45 12.715 16.705 -14.668
299 HA SER 45 HA SER 45 13.327 19.564 -15.048
300 HB2 SER 45 1HB SER 45 14.681 17.766 -16.342
301 HB3 SER 45 2HB SER 45 13.217 17.581 -17.308
302 HG SER 45 HG SER 45 13.474 19.555 -18.115
303 H GLY 46 H GLY 46 11.916 20.796 -16.365
304 HA2 GLY 46 1HA GLY 46 9.908 20.793 -17.805
305 HA3 GLY 46 2HA GLY 46 9.247 19.577 -16.722
Start of MODEL 13
1 H1 GLY 1 H GLY 1 8.875 -8.638 2.437
2 HA2 GLY 1 1HA GLY 1 7.481 -6.780 3.818
3 HA3 GLY 1 2HA GLY 1 7.041 -7.249 2.182
4 H SER 2 H SER 2 6.553 -8.140 5.582
5 HA SER 2 HA SER 2 3.988 -9.362 4.851
6 HB2 SER 2 1HB SER 2 5.721 -9.574 7.313
7 HB3 SER 2 2HB SER 2 4.066 -10.181 7.271
8 HG SER 2 HG SER 2 4.839 -11.347 5.299
9 H SER 3 H SER 3 2.195 -8.224 5.103
10 HA SER 3 HA SER 3 1.785 -6.549 7.412
11 HB2 SER 3 1HB SER 3 1.268 -4.506 6.097
12 HB3 SER 3 2HB SER 3 2.966 -4.969 5.984
13 HG SER 3 HG SER 3 2.652 -4.952 3.914
14 H GLY 4 H GLY 4 -0.129 -7.321 8.027
15 HA2 GLY 4 1HA GLY 4 -2.267 -8.191 7.894
16 HA3 GLY 4 2HA GLY 4 -2.535 -6.761 6.910
17 H SER 5 H SER 5 -1.946 -10.193 6.896
18 HA SER 5 HA SER 5 -1.995 -10.366 4.005
19 HB2 SER 5 1HB SER 5 -0.578 -11.890 5.366
20 HB3 SER 5 2HB SER 5 -2.041 -12.590 6.060
21 HG SER 5 HG SER 5 -1.375 -12.567 3.299
22 H SER 6 H SER 6 -4.023 -9.599 3.423
23 HA SER 6 HA SER 6 -6.297 -11.277 4.264
24 HB2 SER 6 1HB SER 6 -6.422 -8.881 4.990
25 HB3 SER 6 2HB SER 6 -6.431 -8.415 3.290
26 HG SER 6 HG SER 6 -8.511 -8.661 3.487
27 H GLY 7 H GLY 7 -5.229 -9.194 1.567
28 HA2 GLY 7 1HA GLY 7 -5.479 -9.418 -0.704
29 HA3 GLY 7 2HA GLY 7 -5.371 -11.147 -0.413
30 H SER 8 H SER 8 -7.858 -8.846 0.633
31 HA SER 8 HA SER 8 -9.862 -10.561 -0.649
32 HB2 SER 8 1HB SER 8 -10.237 -8.379 1.417
33 HB3 SER 8 2HB SER 8 -11.488 -9.470 0.822
34 HG SER 8 HG SER 8 -9.332 -10.842 1.708
35 H GLY 9 H GLY 9 -9.549 -9.776 -2.779
36 HA2 GLY 9 1HA GLY 9 -10.426 -8.521 -4.526
37 HA3 GLY 9 2HA GLY 9 -11.118 -7.417 -3.347
38 H GLU 10 H GLU 10 -7.950 -8.412 -4.639
39 HA GLU 10 HA GLU 10 -6.308 -6.443 -3.852
40 HB2 GLU 10 1HB GLU 10 -6.540 -7.469 -6.686
41 HB3 GLU 10 2HB GLU 10 -5.155 -6.599 -6.040
42 HG2 GLU 10 1HG GLU 10 -4.464 -8.780 -5.876
43 HG3 GLU 10 2HG GLU 10 -5.118 -8.489 -4.266
44 H LYS 11 H LYS 11 -6.152 -4.297 -3.981
45 HA LYS 11 HA LYS 11 -8.205 -2.667 -4.871
46 HB2 LYS 11 1HB LYS 11 -5.281 -1.943 -4.600
47 HB3 LYS 11 2HB LYS 11 -6.619 -0.802 -4.655
48 HG2 LYS 11 1HG LYS 11 -6.215 -2.893 -2.525
49 HG3 LYS 11 2HG LYS 11 -5.788 -1.186 -2.377
50 HD2 LYS 11 1HD LYS 11 -8.279 -0.783 -3.011
51 HD3 LYS 11 2HD LYS 11 -8.492 -2.462 -2.509
52 HE2 LYS 11 1HE LYS 11 -7.191 -1.696 -0.384
53 HE3 LYS 11 2HE LYS 11 -7.687 -0.082 -0.890
54 HZ1 LYS 11 3HZ LYS 11 -9.917 -0.592 -0.609
55 HZ2 LYS 11 1HZ LYS 11 -9.190 -1.369 0.706
56 HZ3 LYS 11 2HZ LYS 11 -9.659 -2.264 -0.650
57 HA PRO 12 HA PRO 12 -7.795 -2.310 -9.229
58 HB2 PRO 12 1HB PRO 12 -8.626 0.245 -9.615
59 HB3 PRO 12 2HB PRO 12 -9.727 -1.068 -9.184
60 HG2 PRO 12 1HG PRO 12 -8.498 1.025 -7.432
61 HG3 PRO 12 2HG PRO 12 -10.162 0.413 -7.445
62 HD2 PRO 12 1HD PRO 12 -8.321 -0.408 -5.636
63 HD3 PRO 12 2HD PRO 12 -9.612 -1.470 -6.234
64 H TYR 13 H TYR 13 -6.395 0.323 -7.312
65 HA TYR 13 HA TYR 13 -4.570 1.021 -9.467
66 HB2 TYR 13 1HB TYR 13 -4.785 2.174 -6.678
67 HB3 TYR 13 2HB TYR 13 -3.856 2.845 -8.014
68 HD1 TYR 13 HD1 TYR 13 -4.971 3.980 -9.859
69 HD2 TYR 13 HD2 TYR 13 -7.196 2.401 -6.595
70 HE1 TYR 13 HE1 TYR 13 -6.925 5.300 -10.561
71 HE2 TYR 13 HE2 TYR 13 -9.157 3.715 -7.288
72 HH TYR 13 HH TYR 13 -9.807 4.794 -9.934
73 H VAL 14 H VAL 14 -2.702 0.011 -9.711
74 HA VAL 14 HA VAL 14 -1.351 -1.062 -7.320
75 HB VAL 14 HB VAL 14 -1.400 -2.252 -10.096
76 HG11 VAL 14 1HG1 VAL 14 -0.228 -4.109 -8.485
77 HG12 VAL 14 2HG1 VAL 14 0.643 -2.996 -9.542
78 HG13 VAL 14 3HG1 VAL 14 0.428 -2.608 -7.834
79 HG21 VAL 14 3HG2 VAL 14 -2.348 -4.220 -8.741
80 HG22 VAL 14 1HG2 VAL 14 -2.665 -3.020 -7.488
81 HG23 VAL 14 2HG2 VAL 14 -3.413 -2.855 -9.077
82 H CYS 15 H CYS 15 0.616 -0.281 -6.953
83 HA CYS 15 HA CYS 15 1.788 1.698 -8.575
84 HB2 CYS 15 1HB CYS 15 2.190 1.544 -6.156
85 HB3 CYS 15 2HB CYS 15 3.054 0.028 -6.392
86 H ASP 16 H ASP 16 2.691 1.401 -10.494
87 HA ASP 16 HA ASP 16 3.723 -1.172 -11.294
88 HB2 ASP 16 1HB ASP 16 4.013 1.354 -12.897
89 HB3 ASP 16 2HB ASP 16 3.836 -0.303 -13.469
90 H TYR 17 H TYR 17 5.158 -0.197 -9.134
91 HA TYR 17 HA TYR 17 7.794 0.207 -10.365
92 HB2 TYR 17 1HB TYR 17 6.984 2.372 -9.472
93 HB3 TYR 17 2HB TYR 17 6.822 1.637 -7.882
94 HD1 TYR 17 HD2 TYR 17 9.068 0.405 -7.068
95 HD2 TYR 17 HD1 TYR 17 8.890 3.602 -9.869
96 HE1 TYR 17 HE2 TYR 17 11.408 0.968 -6.565
97 HE2 TYR 17 HE1 TYR 17 11.231 4.173 -9.375
98 HH TYR 17 HH TYR 17 12.928 3.845 -7.869
99 H CYS 18 H CYS 18 6.143 -0.507 -7.288
100 HA CYS 18 HA CYS 18 8.265 -2.465 -6.705
101 HB2 CYS 18 1HB CYS 18 7.645 -2.206 -4.331
102 HB3 CYS 18 2HB CYS 18 8.152 -0.679 -5.047
103 H GLY 19 H GLY 19 4.770 -1.888 -6.525
104 HA2 GLY 19 1HA GLY 19 3.373 -3.738 -7.401
105 HA3 GLY 19 2HA GLY 19 4.399 -4.820 -6.472
106 H LYS 20 H LYS 20 2.709 -1.773 -5.720
107 HA LYS 20 HA LYS 20 1.594 -3.102 -3.342
108 HB2 LYS 20 1HB LYS 20 3.107 -0.993 -3.188
109 HB3 LYS 20 2HB LYS 20 1.675 -0.125 -3.724
110 HG2 LYS 20 1HG LYS 20 0.510 -0.579 -1.783
111 HG3 LYS 20 2HG LYS 20 1.510 -1.978 -1.388
112 HD2 LYS 20 1HD LYS 20 2.626 0.812 -1.434
113 HD3 LYS 20 2HD LYS 20 1.844 0.144 0.001
114 HE2 LYS 20 1HE LYS 20 3.481 -1.852 -0.393
115 HE3 LYS 20 2HE LYS 20 4.394 -0.669 -1.328
116 HZ1 LYS 20 3HZ LYS 20 5.300 -0.196 0.651
117 HZ2 LYS 20 1HZ LYS 20 4.025 -0.874 1.533
118 HZ3 LYS 20 2HZ LYS 20 3.887 0.695 0.918
119 H ALA 21 H ALA 21 -0.545 -2.026 -2.625
120 HA ALA 21 HA ALA 21 -2.258 -1.603 -4.986
121 HB1 ALA 21 3HB ALA 21 -3.161 -3.589 -4.476
122 HB2 ALA 21 1HB ALA 21 -2.467 -3.597 -2.854
123 HB3 ALA 21 2HB ALA 21 -3.961 -2.715 -3.170
124 H PHE 22 H PHE 22 -4.004 -0.189 -4.744
125 HA PHE 22 HA PHE 22 -4.361 1.193 -2.213
126 HB2 PHE 22 1HB PHE 22 -3.651 2.735 -4.715
127 HB3 PHE 22 2HB PHE 22 -3.976 3.406 -3.120
128 HD1 PHE 22 HD1 PHE 22 -1.559 1.611 -5.196
129 HD2 PHE 22 HD2 PHE 22 -2.327 3.303 -1.366
130 HE1 PHE 22 HE1 PHE 22 0.836 1.455 -4.650
131 HE2 PHE 22 HE2 PHE 22 0.066 3.150 -0.815
132 HZ PHE 22 HZ PHE 22 1.651 2.226 -2.458
133 H GLY 23 H GLY 23 -6.430 1.779 -1.902
134 HA2 GLY 23 1HA GLY 23 -8.388 1.038 -3.859
135 HA3 GLY 23 2HA GLY 23 -8.705 1.761 -2.289
136 H LEU 24 H LEU 24 -7.081 4.093 -2.683
137 HA LEU 24 HA LEU 24 -8.851 5.543 -4.522
138 HB2 LEU 24 1HB LEU 24 -7.378 6.258 -2.042
139 HB3 LEU 24 2HB LEU 24 -7.646 7.524 -3.238
140 HG LEU 24 HG LEU 24 -9.349 7.594 -1.511
141 HD11 LEU 24 1HD1 LEU 24 -10.965 8.127 -2.967
142 HD12 LEU 24 2HD1 LEU 24 -10.988 6.516 -3.684
143 HD13 LEU 24 3HD1 LEU 24 -9.779 7.692 -4.198
144 HD21 LEU 24 3HD2 LEU 24 -10.279 4.880 -2.404
145 HD22 LEU 24 1HD2 LEU 24 -10.789 5.812 -0.996
146 HD23 LEU 24 2HD2 LEU 24 -9.177 5.098 -1.043
147 H SER 25 H SER 25 -8.066 6.843 -6.141
148 HA SER 25 HA SER 25 -5.670 6.116 -7.383
149 HB2 SER 25 1HB SER 25 -6.135 7.805 -8.984
150 HB3 SER 25 2HB SER 25 -7.711 7.242 -8.428
151 HG SER 25 HG SER 25 -6.618 9.708 -8.262
152 H ALA 26 H ALA 26 -6.453 8.925 -5.369
153 HA ALA 26 HA ALA 26 -4.035 10.295 -5.612
154 HB1 ALA 26 3HB ALA 26 -4.830 11.680 -4.002
155 HB2 ALA 26 1HB ALA 26 -6.335 10.842 -4.379
156 HB3 ALA 26 2HB ALA 26 -5.382 10.355 -2.977
157 H GLU 27 H GLU 27 -5.003 7.749 -3.345
158 HA GLU 27 HA GLU 27 -2.819 7.758 -1.651
159 HB2 GLU 27 1HB GLU 27 -4.584 5.525 -2.627
160 HB3 GLU 27 2HB GLU 27 -3.287 5.232 -1.477
161 HG2 GLU 27 1HG GLU 27 -5.433 7.275 -1.002
162 HG3 GLU 27 2HG GLU 27 -5.599 5.587 -0.524
163 H LEU 28 H LEU 28 -3.189 6.112 -4.769
164 HA LEU 28 HA LEU 28 -0.662 4.835 -4.726
165 HB2 LEU 28 1HB LEU 28 -2.345 3.984 -6.170
166 HB3 LEU 28 2HB LEU 28 -2.549 5.547 -6.957
167 HG LEU 28 HG LEU 28 -0.264 5.296 -7.912
168 HD11 LEU 28 1HD1 LEU 28 1.079 3.538 -7.503
169 HD12 LEU 28 2HD1 LEU 28 -0.263 2.398 -7.404
170 HD13 LEU 28 3HD1 LEU 28 0.133 3.416 -6.019
171 HD21 LEU 28 3HD2 LEU 28 -2.636 4.283 -8.792
172 HD22 LEU 28 1HD2 LEU 28 -1.592 2.862 -8.856
173 HD23 LEU 28 2HD2 LEU 28 -1.143 4.326 -9.732
174 H VAL 29 H VAL 29 -1.797 7.879 -6.142
175 HA VAL 29 HA VAL 29 0.570 8.596 -7.458
176 HB VAL 29 HB VAL 29 -1.521 10.404 -6.238
177 HG11 VAL 29 1HG1 VAL 29 0.357 11.095 -8.479
178 HG12 VAL 29 2HG1 VAL 29 -0.662 12.173 -7.523
179 HG13 VAL 29 3HG1 VAL 29 0.753 11.415 -6.791
180 HG21 VAL 29 3HG2 VAL 29 -2.604 10.394 -8.342
181 HG22 VAL 29 1HG2 VAL 29 -1.253 9.562 -9.114
182 HG23 VAL 29 2HG2 VAL 29 -2.272 8.705 -7.957
183 H ARG 30 H ARG 30 -0.577 9.403 -4.191
184 HA ARG 30 HA ARG 30 1.659 10.968 -3.472
185 HB2 ARG 30 1HB ARG 30 0.839 10.820 -1.212
186 HB3 ARG 30 2HB ARG 30 -0.536 10.994 -2.295
187 HG2 ARG 30 1HG ARG 30 -1.105 8.698 -2.077
188 HG3 ARG 30 2HG ARG 30 0.403 8.344 -1.231
189 HD2 ARG 30 1HD ARG 30 -1.157 8.455 0.488
190 HD3 ARG 30 2HD ARG 30 -0.425 10.059 0.504
191 HE ARG 30 HE ARG 30 -2.675 10.130 -1.157
192 HH11 ARG 30 1HH1 ARG 30 -1.872 9.738 2.207
193 HH12 ARG 30 2HH1 ARG 30 -3.362 10.413 2.776
194 HH21 ARG 30 1HH2 ARG 30 -4.641 11.020 -0.421
195 HH22 ARG 30 2HH2 ARG 30 -4.937 11.141 1.281
196 H HIS 31 H HIS 31 0.944 7.529 -3.147
197 HA HIS 31 HA HIS 31 3.109 6.821 -1.511
198 HB2 HIS 31 1HB HIS 31 1.576 5.111 -1.676
199 HB3 HIS 31 2HB HIS 31 1.321 5.361 -3.400
200 HD1 HIS 31 HD1 HIS 31 3.746 3.760 -0.997
201 HD2 HIS 31 HD2 HIS 31 2.861 3.790 -5.057
202 HE1 HIS 31 HE1 HIS 31 5.125 1.911 -2.000
203 H GLN 32 H GLN 32 2.812 6.515 -5.055
204 HA GLN 32 HA GLN 32 5.202 5.577 -5.802
205 HB2 GLN 32 1HB GLN 32 3.587 7.818 -6.977
206 HB3 GLN 32 2HB GLN 32 5.105 7.329 -7.719
207 HG2 GLN 32 1HG GLN 32 4.117 4.965 -7.717
208 HG3 GLN 32 2HG GLN 32 2.574 5.761 -7.417
209 HE21 GLN 32 1HE2 GLN 32 3.313 4.208 -9.706
210 HE22 GLN 32 2HE2 GLN 32 3.204 5.247 -11.082
211 H ARG 33 H ARG 33 4.643 8.715 -4.379
212 HA ARG 33 HA ARG 33 6.902 10.123 -4.989
213 HB2 ARG 33 1HB ARG 33 5.629 9.930 -2.252
214 HB3 ARG 33 2HB ARG 33 6.679 11.226 -2.810
215 HG2 ARG 33 1HG ARG 33 4.222 10.628 -4.371
216 HG3 ARG 33 2HG ARG 33 4.062 11.469 -2.828
217 HD2 ARG 33 1HD ARG 33 4.263 13.188 -4.397
218 HD3 ARG 33 2HD ARG 33 5.881 13.039 -3.712
219 HE ARG 33 HE ARG 33 5.435 11.503 -6.116
220 HH11 ARG 33 1HH1 ARG 33 6.482 14.535 -4.764
221 HH12 ARG 33 2HH1 ARG 33 7.425 14.976 -6.149
222 HH21 ARG 33 1HH2 ARG 33 6.674 12.072 -7.945
223 HH22 ARG 33 2HH2 ARG 33 7.533 13.575 -7.958
224 H ILE 34 H ILE 34 6.575 7.684 -2.424
225 HA ILE 34 HA ILE 34 8.996 7.783 -1.204
226 HB ILE 34 HB ILE 34 8.821 5.441 -0.704
227 HG12 ILE 34 1HG1 ILE 34 6.695 5.228 -2.842
228 HG13 ILE 34 2HG1 ILE 34 8.371 4.748 -3.085
229 HG21 ILE 34 1HG2 ILE 34 7.188 6.083 0.661
230 HG22 ILE 34 2HG2 ILE 34 6.582 7.244 -0.519
231 HG23 ILE 34 3HG2 ILE 34 6.039 5.568 -0.573
232 HD11 ILE 34 3HD1 ILE 34 8.121 3.138 -1.219
233 HD12 ILE 34 1HD1 ILE 34 6.410 3.559 -1.140
234 HD13 ILE 34 2HD1 ILE 34 7.068 2.808 -2.595
235 H HIS 35 H HIS 35 8.323 6.554 -4.418
236 HA HIS 35 HA HIS 35 10.986 5.497 -4.778
237 HB2 HIS 35 1HB HIS 35 8.774 5.932 -6.796
238 HB3 HIS 35 2HB HIS 35 10.251 5.014 -7.071
239 HD1 HIS 35 HD1 HIS 35 10.501 2.976 -5.116
240 HD2 HIS 35 HD2 HIS 35 6.714 4.311 -6.183
241 HE1 HIS 35 HE1 HIS 35 8.924 1.140 -4.433
242 H THR 36 H THR 36 9.274 8.451 -5.444
243 HA THR 36 HA THR 36 11.754 9.752 -6.166
244 HB THR 36 HB THR 36 11.157 9.052 -8.365
245 HG1 THR 36 HG1 THR 36 11.558 11.443 -7.858
246 HG21 THR 36 3HG2 THR 36 8.461 9.400 -7.389
247 HG22 THR 36 1HG2 THR 36 9.037 8.493 -8.787
248 HG23 THR 36 2HG2 THR 36 8.682 10.214 -8.938
249 H GLY 37 H GLY 37 11.760 11.530 -4.964
250 HA2 GLY 37 1HA GLY 37 10.754 13.786 -4.787
251 HA3 GLY 37 2HA GLY 37 9.206 12.975 -4.608
252 H GLU 38 H GLU 38 12.307 12.173 -3.093
253 HA GLU 38 HA GLU 38 11.751 13.347 -0.591
254 HB2 GLU 38 1HB GLU 38 11.059 11.504 0.732
255 HB3 GLU 38 2HB GLU 38 9.994 11.527 -0.666
256 HG2 GLU 38 1HG GLU 38 11.207 9.723 -1.688
257 HG3 GLU 38 2HG GLU 38 12.413 9.758 -0.402
258 H LYS 39 H LYS 39 13.233 12.455 1.146
259 HA LYS 39 HA LYS 39 15.866 12.457 0.255
260 HB2 LYS 39 1HB LYS 39 14.572 11.645 2.837
261 HB3 LYS 39 2HB LYS 39 16.301 11.418 2.606
262 HG2 LYS 39 1HG LYS 39 16.086 13.480 3.690
263 HG3 LYS 39 2HG LYS 39 16.392 13.880 1.998
264 HD2 LYS 39 1HD LYS 39 14.239 14.615 1.643
265 HD3 LYS 39 2HD LYS 39 13.573 13.621 2.942
266 HE2 LYS 39 1HE LYS 39 14.323 15.100 4.603
267 HE3 LYS 39 2HE LYS 39 15.433 15.912 3.500
268 HZ1 LYS 39 3HZ LYS 39 13.815 17.225 2.701
269 HZ2 LYS 39 1HZ LYS 39 13.034 16.865 4.158
270 HZ3 LYS 39 2HZ LYS 39 12.634 16.015 2.752
271 HA PRO 40 HA PRO 40 16.604 8.356 -1.164
272 HB2 PRO 40 1HB PRO 40 19.298 8.262 -0.836
273 HB3 PRO 40 2HB PRO 40 18.518 9.192 -2.122
274 HG2 PRO 40 1HG PRO 40 19.585 10.129 0.514
275 HG3 PRO 40 2HG PRO 40 19.740 10.877 -1.086
276 HD2 PRO 40 1HD PRO 40 17.940 11.725 0.750
277 HD3 PRO 40 2HD PRO 40 17.632 11.804 -0.996
278 H SER 41 H SER 41 16.278 6.477 -0.166
279 HA SER 41 HA SER 41 17.468 6.071 2.500
280 HB2 SER 41 1HB SER 41 14.719 5.468 1.474
281 HB3 SER 41 2HB SER 41 15.411 4.450 2.736
282 HG SER 41 HG SER 41 15.388 7.265 2.953
283 H GLY 42 H GLY 42 16.219 4.395 -0.382
284 HA2 GLY 42 1HA GLY 42 18.478 2.789 -0.749
285 HA3 GLY 42 2HA GLY 42 17.336 1.877 0.227
286 HA PRO 43 HA PRO 43 15.246 2.704 -4.076
287 HB2 PRO 43 1HB PRO 43 16.926 3.493 -6.057
288 HB3 PRO 43 2HB PRO 43 16.058 4.634 -5.023
289 HG2 PRO 43 1HG PRO 43 18.892 3.688 -4.838
290 HG3 PRO 43 2HG PRO 43 18.245 5.327 -4.644
291 HD2 PRO 43 1HD PRO 43 18.894 3.759 -2.534
292 HD3 PRO 43 2HD PRO 43 17.570 4.941 -2.474
293 H SER 44 H SER 44 18.656 1.700 -4.237
294 HA SER 44 HA SER 44 18.274 -0.271 -6.231
295 HB2 SER 44 1HB SER 44 20.491 0.525 -5.920
296 HB3 SER 44 2HB SER 44 20.451 0.185 -4.190
297 HG SER 44 HG SER 44 20.112 -1.908 -6.033
298 H SER 45 H SER 45 17.542 -2.294 -6.118
299 HA SER 45 HA SER 45 17.003 -3.413 -3.448
300 HB2 SER 45 1HB SER 45 15.276 -4.805 -4.629
301 HB3 SER 45 2HB SER 45 14.954 -3.071 -4.667
302 HG SER 45 HG SER 45 14.911 -4.534 -6.712
303 H GLY 46 H GLY 46 17.771 -4.469 -6.771
304 HA2 GLY 46 1HA GLY 46 18.866 -6.963 -5.755
305 HA3 GLY 46 2HA GLY 46 18.696 -6.508 -7.444
Start of MODEL 14
1 H1 GLY 1 H GLY 1 8.326 -22.682 2.233
2 HA2 GLY 1 1HA GLY 1 7.359 -21.696 -0.150
3 HA3 GLY 1 2HA GLY 1 7.703 -23.390 -0.463
4 H SER 2 H SER 2 5.753 -21.151 1.398
5 HA SER 2 HA SER 2 3.559 -22.987 1.438
6 HB2 SER 2 1HB SER 2 4.769 -23.920 3.324
7 HB3 SER 2 2HB SER 2 4.939 -22.321 4.049
8 HG SER 2 HG SER 2 2.773 -24.032 4.014
9 H SER 3 H SER 3 1.962 -21.666 0.901
10 HA SER 3 HA SER 3 1.099 -19.549 2.547
11 HB2 SER 3 1HB SER 3 3.182 -18.598 1.277
12 HB3 SER 3 2HB SER 3 2.069 -18.485 -0.086
13 HG SER 3 HG SER 3 2.061 -16.561 1.110
14 H GLY 4 H GLY 4 -0.596 -18.150 1.275
15 HA2 GLY 4 1HA GLY 4 -1.881 -19.694 -0.852
16 HA3 GLY 4 2HA GLY 4 -2.787 -19.462 0.636
17 H SER 5 H SER 5 -4.280 -18.464 -1.007
18 HA SER 5 HA SER 5 -3.616 -15.610 -1.310
19 HB2 SER 5 1HB SER 5 -5.255 -17.291 -3.223
20 HB3 SER 5 2HB SER 5 -4.906 -15.571 -3.393
21 HG SER 5 HG SER 5 -3.076 -16.094 -4.259
22 H SER 6 H SER 6 -4.728 -14.742 0.352
23 HA SER 6 HA SER 6 -7.613 -15.332 0.494
24 HB2 SER 6 1HB SER 6 -7.452 -14.716 2.921
25 HB3 SER 6 2HB SER 6 -6.558 -16.175 2.494
26 HG SER 6 HG SER 6 -5.460 -13.573 2.793
27 H GLY 7 H GLY 7 -8.078 -13.638 -0.971
28 HA2 GLY 7 1HA GLY 7 -8.553 -11.127 0.265
29 HA3 GLY 7 2HA GLY 7 -7.181 -11.013 -0.828
30 H SER 8 H SER 8 -10.602 -11.889 -0.646
31 HA SER 8 HA SER 8 -11.083 -12.208 -3.378
32 HB2 SER 8 1HB SER 8 -13.437 -11.842 -2.846
33 HB3 SER 8 2HB SER 8 -12.688 -12.838 -1.599
34 HG SER 8 HG SER 8 -12.589 -11.041 -0.264
35 H GLY 9 H GLY 9 -10.986 -10.824 -5.013
36 HA2 GLY 9 1HA GLY 9 -11.153 -8.871 -6.222
37 HA3 GLY 9 2HA GLY 9 -12.008 -8.166 -4.857
38 H GLU 10 H GLU 10 -9.590 -7.475 -6.737
39 HA GLU 10 HA GLU 10 -7.768 -6.622 -4.587
40 HB2 GLU 10 1HB GLU 10 -6.016 -6.497 -6.251
41 HB3 GLU 10 2HB GLU 10 -6.768 -8.084 -6.317
42 HG2 GLU 10 1HG GLU 10 -7.781 -7.671 -8.346
43 HG3 GLU 10 2HG GLU 10 -7.707 -5.921 -8.144
44 H LYS 11 H LYS 11 -6.481 -4.564 -5.381
45 HA LYS 11 HA LYS 11 -8.517 -2.530 -5.865
46 HB2 LYS 11 1HB LYS 11 -5.734 -2.497 -4.748
47 HB3 LYS 11 2HB LYS 11 -6.465 -1.007 -5.329
48 HG2 LYS 11 1HG LYS 11 -7.114 -0.867 -3.172
49 HG3 LYS 11 2HG LYS 11 -8.452 -1.852 -3.767
50 HD2 LYS 11 1HD LYS 11 -6.018 -3.280 -2.858
51 HD3 LYS 11 2HD LYS 11 -7.015 -2.517 -1.617
52 HE2 LYS 11 1HE LYS 11 -8.822 -3.876 -2.045
53 HE3 LYS 11 2HE LYS 11 -8.328 -4.190 -3.707
54 HZ1 LYS 11 3HZ LYS 11 -6.605 -5.177 -1.560
55 HZ2 LYS 11 1HZ LYS 11 -6.929 -5.847 -3.079
56 HZ3 LYS 11 2HZ LYS 11 -8.063 -5.990 -1.833
57 HA PRO 12 HA PRO 12 -7.325 -1.837 -10.045
58 HB2 PRO 12 1HB PRO 12 -8.184 0.724 -10.320
59 HB3 PRO 12 2HB PRO 12 -9.285 -0.656 -10.251
60 HG2 PRO 12 1HG PRO 12 -8.513 1.260 -8.085
61 HG3 PRO 12 2HG PRO 12 -10.114 0.611 -8.486
62 HD2 PRO 12 1HD PRO 12 -8.618 -0.359 -6.448
63 HD3 PRO 12 2HD PRO 12 -9.720 -1.380 -7.394
64 H TYR 13 H TYR 13 -6.476 0.657 -7.664
65 HA TYR 13 HA TYR 13 -4.293 1.612 -9.324
66 HB2 TYR 13 1HB TYR 13 -5.124 2.455 -6.539
67 HB3 TYR 13 2HB TYR 13 -3.957 3.281 -7.566
68 HD1 TYR 13 HD1 TYR 13 -4.702 4.545 -9.529
69 HD2 TYR 13 HD2 TYR 13 -7.494 2.677 -6.919
70 HE1 TYR 13 HE1 TYR 13 -6.509 5.900 -10.502
71 HE2 TYR 13 HE2 TYR 13 -9.309 4.025 -7.885
72 HH TYR 13 HH TYR 13 -8.664 6.425 -10.424
73 H VAL 14 H VAL 14 -2.764 0.015 -9.406
74 HA VAL 14 HA VAL 14 -1.510 -0.711 -6.838
75 HB VAL 14 HB VAL 14 -2.533 -2.694 -7.721
76 HG11 VAL 14 1HG1 VAL 14 -2.230 -3.519 -9.925
77 HG12 VAL 14 2HG1 VAL 14 -2.659 -1.814 -10.079
78 HG13 VAL 14 3HG1 VAL 14 -0.981 -2.324 -10.273
79 HG21 VAL 14 3HG2 VAL 14 -0.749 -3.854 -7.084
80 HG22 VAL 14 1HG2 VAL 14 0.027 -3.554 -8.639
81 HG23 VAL 14 2HG2 VAL 14 0.249 -2.418 -7.308
82 H CYS 15 H CYS 15 0.513 -0.036 -6.617
83 HA CYS 15 HA CYS 15 1.890 1.421 -8.564
84 HB2 CYS 15 1HB CYS 15 2.278 1.515 -6.084
85 HB3 CYS 15 2HB CYS 15 3.131 -0.019 -6.214
86 H ASP 16 H ASP 16 2.735 0.712 -10.398
87 HA ASP 16 HA ASP 16 3.393 -2.069 -10.778
88 HB2 ASP 16 1HB ASP 16 2.347 -0.887 -12.609
89 HB3 ASP 16 2HB ASP 16 3.621 0.329 -12.605
90 H TYR 17 H TYR 17 4.986 0.296 -9.254
91 HA TYR 17 HA TYR 17 7.622 -0.161 -10.383
92 HB2 TYR 17 1HB TYR 17 6.771 2.078 -9.468
93 HB3 TYR 17 2HB TYR 17 7.007 1.382 -7.868
94 HD1 TYR 17 HD2 TYR 17 9.467 0.059 -7.835
95 HD2 TYR 17 HD1 TYR 17 8.444 3.540 -10.056
96 HE1 TYR 17 HE2 TYR 17 11.839 0.709 -7.898
97 HE2 TYR 17 HE1 TYR 17 10.812 4.199 -10.127
98 HH TYR 17 HH TYR 17 13.249 2.495 -8.291
99 H CYS 18 H CYS 18 6.027 -0.629 -7.231
100 HA CYS 18 HA CYS 18 8.098 -2.611 -6.564
101 HB2 CYS 18 1HB CYS 18 7.381 -2.264 -4.203
102 HB3 CYS 18 2HB CYS 18 8.021 -0.808 -4.959
103 H GLY 19 H GLY 19 4.603 -1.994 -6.287
104 HA2 GLY 19 1HA GLY 19 3.208 -3.881 -7.170
105 HA3 GLY 19 2HA GLY 19 4.208 -4.920 -6.166
106 H LYS 20 H LYS 20 2.812 -1.757 -5.391
107 HA LYS 20 HA LYS 20 1.489 -3.006 -3.085
108 HB2 LYS 20 1HB LYS 20 2.639 -0.314 -3.616
109 HB3 LYS 20 2HB LYS 20 1.243 -0.399 -2.548
110 HG2 LYS 20 1HG LYS 20 2.416 -1.912 -1.074
111 HG3 LYS 20 2HG LYS 20 3.798 -1.950 -2.173
112 HD2 LYS 20 1HD LYS 20 4.150 0.443 -1.816
113 HD3 LYS 20 2HD LYS 20 2.758 0.491 -0.732
114 HE2 LYS 20 1HE LYS 20 3.923 -1.189 0.705
115 HE3 LYS 20 2HE LYS 20 5.341 -1.010 -0.327
116 HZ1 LYS 20 3HZ LYS 20 4.890 1.523 0.258
117 HZ2 LYS 20 1HZ LYS 20 5.853 0.526 1.227
118 HZ3 LYS 20 2HZ LYS 20 4.244 0.821 1.654
119 H ALA 21 H ALA 21 -0.682 -2.790 -2.720
120 HA ALA 21 HA ALA 21 -2.266 -1.874 -5.003
121 HB1 ALA 21 3HB ALA 21 -2.664 -3.843 -2.834
122 HB2 ALA 21 1HB ALA 21 -4.099 -2.991 -3.406
123 HB3 ALA 21 2HB ALA 21 -3.115 -3.920 -4.537
124 H PHE 22 H PHE 22 -4.084 -0.506 -4.739
125 HA PHE 22 HA PHE 22 -4.486 0.842 -2.210
126 HB2 PHE 22 1HB PHE 22 -3.600 2.424 -4.632
127 HB3 PHE 22 2HB PHE 22 -4.040 3.081 -3.059
128 HD1 PHE 22 HD2 PHE 22 -2.594 2.579 -1.081
129 HD2 PHE 22 HD1 PHE 22 -1.428 1.642 -5.066
130 HE1 PHE 22 HE2 PHE 22 -0.253 2.392 -0.349
131 HE2 PHE 22 HE1 PHE 22 0.915 1.452 -4.340
132 HZ PHE 22 HZ PHE 22 1.506 1.829 -1.979
133 H GLY 23 H GLY 23 -6.571 1.366 -1.970
134 HA2 GLY 23 1HA GLY 23 -8.358 0.958 -4.230
135 HA3 GLY 23 2HA GLY 23 -8.830 1.159 -2.550
136 H LEU 24 H LEU 24 -6.662 3.341 -4.230
137 HA LEU 24 HA LEU 24 -8.644 5.244 -4.962
138 HB2 LEU 24 1HB LEU 24 -8.760 5.538 -2.546
139 HB3 LEU 24 2HB LEU 24 -7.021 5.813 -2.486
140 HG LEU 24 HG LEU 24 -7.448 7.843 -3.962
141 HD11 LEU 24 1HD1 LEU 24 -9.635 8.756 -4.051
142 HD12 LEU 24 2HD1 LEU 24 -10.269 7.518 -2.967
143 HD13 LEU 24 3HD1 LEU 24 -9.757 7.083 -4.597
144 HD21 LEU 24 3HD2 LEU 24 -7.172 7.637 -1.342
145 HD22 LEU 24 1HD2 LEU 24 -8.838 8.215 -1.361
146 HD23 LEU 24 2HD2 LEU 24 -7.563 9.175 -2.112
147 H SER 25 H SER 25 -7.829 6.729 -6.355
148 HA SER 25 HA SER 25 -5.340 6.331 -7.531
149 HB2 SER 25 1HB SER 25 -5.739 8.415 -8.735
150 HB3 SER 25 2HB SER 25 -7.239 7.494 -8.625
151 HG SER 25 HG SER 25 -6.805 9.970 -7.832
152 H ALA 26 H ALA 26 -6.335 8.980 -5.361
153 HA ALA 26 HA ALA 26 -3.932 10.314 -5.159
154 HB1 ALA 26 3HB ALA 26 -5.426 10.071 -2.633
155 HB2 ALA 26 1HB ALA 26 -4.915 11.507 -3.520
156 HB3 ALA 26 2HB ALA 26 -6.357 10.626 -4.025
157 H GLU 27 H GLU 27 -5.056 7.543 -3.244
158 HA GLU 27 HA GLU 27 -2.979 7.355 -1.430
159 HB2 GLU 27 1HB GLU 27 -4.756 5.302 -2.706
160 HB3 GLU 27 2HB GLU 27 -3.473 4.803 -1.613
161 HG2 GLU 27 1HG GLU 27 -5.387 6.915 -0.748
162 HG3 GLU 27 2HG GLU 27 -5.887 5.224 -0.727
163 H LEU 28 H LEU 28 -3.171 6.014 -4.708
164 HA LEU 28 HA LEU 28 -0.635 4.742 -4.624
165 HB2 LEU 28 1HB LEU 28 -2.239 3.974 -6.200
166 HB3 LEU 28 2HB LEU 28 -2.424 5.585 -6.890
167 HG LEU 28 HG LEU 28 -0.062 5.404 -7.713
168 HD11 LEU 28 1HD1 LEU 28 0.945 3.781 -6.383
169 HD12 LEU 28 2HD1 LEU 28 0.700 2.961 -7.925
170 HD13 LEU 28 3HD1 LEU 28 -0.395 2.651 -6.579
171 HD21 LEU 28 3HD2 LEU 28 -2.287 3.640 -8.635
172 HD22 LEU 28 1HD2 LEU 28 -0.720 3.565 -9.440
173 HD23 LEU 28 2HD2 LEU 28 -1.612 5.086 -9.387
174 H VAL 29 H VAL 29 -1.689 7.664 -6.384
175 HA VAL 29 HA VAL 29 0.726 8.529 -7.338
176 HB VAL 29 HB VAL 29 -1.513 10.240 -6.250
177 HG11 VAL 29 1HG1 VAL 29 -0.599 12.069 -7.492
178 HG12 VAL 29 2HG1 VAL 29 0.676 11.424 -6.456
179 HG13 VAL 29 3HG1 VAL 29 0.659 11.042 -8.178
180 HG21 VAL 29 3HG2 VAL 29 -0.917 9.526 -9.113
181 HG22 VAL 29 1HG2 VAL 29 -2.036 8.611 -8.102
182 HG23 VAL 29 2HG2 VAL 29 -2.360 10.306 -8.465
183 H ARG 30 H ARG 30 -0.665 9.236 -4.143
184 HA ARG 30 HA ARG 30 1.416 10.867 -3.211
185 HB2 ARG 30 1HB ARG 30 -0.505 9.093 -1.696
186 HB3 ARG 30 2HB ARG 30 0.560 10.269 -0.937
187 HG2 ARG 30 1HG ARG 30 -0.590 12.081 -1.859
188 HG3 ARG 30 2HG ARG 30 -1.396 11.070 -3.060
189 HD2 ARG 30 1HD ARG 30 -3.016 11.600 -1.410
190 HD3 ARG 30 2HD ARG 30 -2.559 9.916 -1.155
191 HE ARG 30 HE ARG 30 -0.930 11.462 0.476
192 HH11 ARG 30 1HH1 ARG 30 -4.317 10.738 0.130
193 HH12 ARG 30 2HH1 ARG 30 -4.670 10.957 1.812
194 HH21 ARG 30 1HH2 ARG 30 -1.381 11.753 2.693
195 HH22 ARG 30 2HH2 ARG 30 -2.999 11.535 3.269
196 H HIS 31 H HIS 31 1.060 7.390 -3.339
197 HA HIS 31 HA HIS 31 3.232 6.790 -1.591
198 HB2 HIS 31 1HB HIS 31 1.759 5.011 -1.784
199 HB3 HIS 31 2HB HIS 31 1.562 5.227 -3.521
200 HD1 HIS 31 HD1 HIS 31 3.941 3.770 -0.993
201 HD2 HIS 31 HD2 HIS 31 3.301 3.774 -5.098
202 HE1 HIS 31 HE1 HIS 31 5.482 2.010 -1.916
203 H GLN 32 H GLN 32 2.884 6.710 -5.136
204 HA GLN 32 HA GLN 32 5.326 5.883 -5.945
205 HB2 GLN 32 1HB GLN 32 3.727 8.188 -7.065
206 HB3 GLN 32 2HB GLN 32 5.097 7.452 -7.887
207 HG2 GLN 32 1HG GLN 32 3.746 5.249 -7.574
208 HG3 GLN 32 2HG GLN 32 2.379 6.344 -7.369
209 HE21 GLN 32 1HE2 GLN 32 3.354 4.390 -9.517
210 HE22 GLN 32 2HE2 GLN 32 3.191 5.291 -10.982
211 H ARG 33 H ARG 33 4.626 8.809 -4.248
212 HA ARG 33 HA ARG 33 6.717 10.469 -4.890
213 HB2 ARG 33 1HB ARG 33 5.354 9.946 -2.256
214 HB3 ARG 33 2HB ARG 33 6.605 11.170 -2.424
215 HG2 ARG 33 1HG ARG 33 5.098 11.994 -4.404
216 HG3 ARG 33 2HG ARG 33 3.844 11.115 -3.527
217 HD2 ARG 33 1HD ARG 33 4.048 12.476 -1.638
218 HD3 ARG 33 2HD ARG 33 5.629 13.079 -2.133
219 HE ARG 33 HE ARG 33 4.592 14.641 -3.472
220 HH11 ARG 33 1HH1 ARG 33 2.259 12.335 -2.308
221 HH12 ARG 33 2HH1 ARG 33 0.890 13.254 -2.841
222 HH21 ARG 33 1HH2 ARG 33 2.799 15.860 -4.179
223 HH22 ARG 33 2HH2 ARG 33 1.199 15.258 -3.906
224 H ILE 34 H ILE 34 6.739 7.719 -2.662
225 HA ILE 34 HA ILE 34 9.338 8.045 -1.669
226 HB ILE 34 HB ILE 34 9.236 5.778 -0.930
227 HG12 ILE 34 1HG1 ILE 34 6.830 5.331 -2.698
228 HG13 ILE 34 2HG1 ILE 34 8.465 4.902 -3.188
229 HG21 ILE 34 1HG2 ILE 34 7.000 5.700 0.134
230 HG22 ILE 34 2HG2 ILE 34 7.785 7.272 0.276
231 HG23 ILE 34 3HG2 ILE 34 6.496 7.034 -0.904
232 HD11 ILE 34 3HD1 ILE 34 7.712 2.911 -2.366
233 HD12 ILE 34 1HD1 ILE 34 8.470 3.592 -0.927
234 HD13 ILE 34 2HD1 ILE 34 6.719 3.672 -1.123
235 H HIS 35 H HIS 35 8.168 6.758 -4.680
236 HA HIS 35 HA HIS 35 10.691 5.525 -5.375
237 HB2 HIS 35 1HB HIS 35 8.108 5.934 -6.882
238 HB3 HIS 35 2HB HIS 35 9.536 5.215 -7.621
239 HD1 HIS 35 HD1 HIS 35 10.488 3.237 -5.626
240 HD2 HIS 35 HD2 HIS 35 6.443 3.892 -6.312
241 HE1 HIS 35 HE1 HIS 35 9.327 1.148 -4.845
242 H THR 36 H THR 36 9.436 8.637 -5.419
243 HA THR 36 HA THR 36 11.421 9.468 -7.434
244 HB THR 36 HB THR 36 9.962 11.400 -7.963
245 HG1 THR 36 HG1 THR 36 8.407 10.201 -5.974
246 HG21 THR 36 3HG2 THR 36 8.186 9.067 -8.403
247 HG22 THR 36 1HG2 THR 36 9.838 8.940 -9.006
248 HG23 THR 36 2HG2 THR 36 8.798 10.256 -9.552
249 H GLY 37 H GLY 37 11.781 11.988 -7.156
250 HA2 GLY 37 1HA GLY 37 12.059 13.801 -5.622
251 HA3 GLY 37 2HA GLY 37 11.941 12.653 -4.297
252 H GLU 38 H GLU 38 13.773 12.034 -3.353
253 HA GLU 38 HA GLU 38 16.204 13.135 -3.670
254 HB2 GLU 38 1HB GLU 38 17.192 11.130 -2.633
255 HB3 GLU 38 2HB GLU 38 15.703 11.619 -1.838
256 HG2 GLU 38 1HG GLU 38 14.558 9.889 -3.335
257 HG3 GLU 38 2HG GLU 38 16.183 9.276 -3.639
258 H LYS 39 H LYS 39 17.411 13.405 -5.419
259 HA LYS 39 HA LYS 39 17.634 11.182 -7.339
260 HB2 LYS 39 1HB LYS 39 16.616 13.164 -8.322
261 HB3 LYS 39 2HB LYS 39 17.965 14.155 -7.781
262 HG2 LYS 39 1HG LYS 39 18.596 13.832 -9.934
263 HG3 LYS 39 2HG LYS 39 19.343 12.405 -9.214
264 HD2 LYS 39 1HD LYS 39 16.536 12.165 -10.149
265 HD3 LYS 39 2HD LYS 39 17.801 12.264 -11.376
266 HE2 LYS 39 1HE LYS 39 18.755 10.270 -10.744
267 HE3 LYS 39 2HE LYS 39 18.151 10.382 -9.091
268 HZ1 LYS 39 3HZ LYS 39 17.003 9.066 -11.313
269 HZ2 LYS 39 1HZ LYS 39 15.927 10.235 -10.731
270 HZ3 LYS 39 2HZ LYS 39 16.517 9.037 -9.693
271 HA PRO 40 HA PRO 40 21.787 11.748 -5.295
272 HB2 PRO 40 1HB PRO 40 22.174 9.109 -4.787
273 HB3 PRO 40 2HB PRO 40 21.322 10.186 -3.675
274 HG2 PRO 40 1HG PRO 40 20.205 8.256 -5.671
275 HG3 PRO 40 2HG PRO 40 19.686 8.567 -4.004
276 HD2 PRO 40 1HD PRO 40 18.399 9.605 -6.149
277 HD3 PRO 40 2HD PRO 40 18.500 10.454 -4.592
278 H SER 41 H SER 41 22.730 12.299 -7.269
279 HA SER 41 HA SER 41 22.928 10.760 -9.554
280 HB2 SER 41 1HB SER 41 24.866 12.773 -8.399
281 HB3 SER 41 2HB SER 41 25.039 12.077 -10.010
282 HG SER 41 HG SER 41 23.300 13.999 -9.096
283 H GLY 42 H GLY 42 24.800 9.607 -10.445
284 HA2 GLY 42 1HA GLY 42 26.348 7.915 -10.372
285 HA3 GLY 42 2HA GLY 42 26.920 8.641 -8.877
286 HA PRO 43 HA PRO 43 24.855 4.442 -8.157
287 HB2 PRO 43 1HB PRO 43 27.090 3.077 -7.440
288 HB3 PRO 43 2HB PRO 43 26.517 3.174 -9.110
289 HG2 PRO 43 1HG PRO 43 28.675 4.744 -7.753
290 HG3 PRO 43 2HG PRO 43 28.669 4.016 -9.370
291 HD2 PRO 43 1HD PRO 43 28.212 6.653 -8.958
292 HD3 PRO 43 2HD PRO 43 27.453 5.748 -10.283
293 H SER 44 H SER 44 25.079 3.140 -6.067
294 HA SER 44 HA SER 44 26.243 4.518 -3.817
295 HB2 SER 44 1HB SER 44 23.305 4.594 -4.368
296 HB3 SER 44 2HB SER 44 23.846 4.446 -2.696
297 HG SER 44 HG SER 44 23.881 6.568 -2.929
298 H SER 45 H SER 45 26.593 3.178 -2.105
299 HA SER 45 HA SER 45 26.832 0.499 -2.373
300 HB2 SER 45 1HB SER 45 26.264 2.143 0.086
301 HB3 SER 45 2HB SER 45 26.518 0.400 0.187
302 HG SER 45 HG SER 45 28.382 1.876 -1.261
303 H GLY 46 H GLY 46 25.498 -1.147 -2.702
304 HA2 GLY 46 1HA GLY 46 23.620 -2.472 -1.929
305 HA3 GLY 46 2HA GLY 46 22.758 -0.971 -1.621
Start of MODEL 15
1 H1 GLY 1 H GLY 1 7.068 -17.851 14.758
2 HA2 GLY 1 1HA GLY 1 6.241 -18.861 12.853
3 HA3 GLY 1 2HA GLY 1 4.836 -19.364 13.782
4 H SER 2 H SER 2 3.499 -17.267 14.490
5 HA SER 2 HA SER 2 1.842 -15.943 13.586
6 HB2 SER 2 1HB SER 2 2.679 -13.769 12.970
7 HB3 SER 2 2HB SER 2 3.724 -14.411 14.237
8 HG SER 2 HG SER 2 4.239 -14.354 11.447
9 H SER 3 H SER 3 2.239 -18.118 11.916
10 HA SER 3 HA SER 3 2.241 -16.989 9.206
11 HB2 SER 3 1HB SER 3 3.775 -18.882 9.613
12 HB3 SER 3 2HB SER 3 2.402 -19.884 10.082
13 HG SER 3 HG SER 3 2.474 -20.356 8.014
14 H GLY 4 H GLY 4 0.583 -17.574 7.712
15 HA2 GLY 4 1HA GLY 4 -1.523 -18.747 7.301
16 HA3 GLY 4 2HA GLY 4 -1.915 -18.489 8.995
17 H SER 5 H SER 5 -0.664 -16.260 6.523
18 HA SER 5 HA SER 5 -2.554 -14.245 7.335
19 HB2 SER 5 1HB SER 5 -0.369 -14.348 5.261
20 HB3 SER 5 2HB SER 5 -1.471 -12.976 5.375
21 HG SER 5 HG SER 5 0.701 -13.310 6.743
22 H SER 6 H SER 6 -4.353 -13.561 6.284
23 HA SER 6 HA SER 6 -5.587 -15.356 4.442
24 HB2 SER 6 1HB SER 6 -7.445 -13.714 4.446
25 HB3 SER 6 2HB SER 6 -6.929 -14.140 6.078
26 HG SER 6 HG SER 6 -5.708 -12.194 6.099
27 H GLY 7 H GLY 7 -5.872 -15.199 2.271
28 HA2 GLY 7 1HA GLY 7 -4.147 -13.338 0.865
29 HA3 GLY 7 2HA GLY 7 -5.049 -14.668 0.154
30 H SER 8 H SER 8 -5.842 -11.673 1.928
31 HA SER 8 HA SER 8 -7.810 -11.083 -0.186
32 HB2 SER 8 1HB SER 8 -7.968 -10.524 2.782
33 HB3 SER 8 2HB SER 8 -9.091 -9.857 1.597
34 HG SER 8 HG SER 8 -9.524 -12.004 2.776
35 H GLY 9 H GLY 9 -8.404 -8.657 -0.161
36 HA2 GLY 9 1HA GLY 9 -7.613 -6.405 0.272
37 HA3 GLY 9 2HA GLY 9 -5.976 -7.045 0.301
38 H GLU 10 H GLU 10 -8.759 -7.012 -1.935
39 HA GLU 10 HA GLU 10 -6.924 -6.811 -4.187
40 HB2 GLU 10 1HB GLU 10 -9.809 -7.460 -3.847
41 HB3 GLU 10 2HB GLU 10 -9.307 -6.765 -5.382
42 HG2 GLU 10 1HG GLU 10 -9.319 -9.172 -5.516
43 HG3 GLU 10 2HG GLU 10 -7.671 -8.563 -5.657
44 H LYS 11 H LYS 11 -6.567 -5.015 -5.349
45 HA LYS 11 HA LYS 11 -8.349 -2.717 -5.046
46 HB2 LYS 11 1HB LYS 11 -5.387 -2.694 -4.469
47 HB3 LYS 11 2HB LYS 11 -6.312 -1.233 -4.789
48 HG2 LYS 11 1HG LYS 11 -6.392 -1.238 -2.521
49 HG3 LYS 11 2HG LYS 11 -7.833 -2.201 -2.857
50 HD2 LYS 11 1HD LYS 11 -6.219 -4.221 -2.739
51 HD3 LYS 11 2HD LYS 11 -5.134 -3.100 -1.912
52 HE2 LYS 11 1HE LYS 11 -7.977 -3.640 -1.067
53 HE3 LYS 11 2HE LYS 11 -6.573 -4.467 -0.394
54 HZ1 LYS 11 3HZ LYS 11 -6.464 -1.564 -0.391
55 HZ2 LYS 11 1HZ LYS 11 -5.971 -2.669 0.791
56 HZ3 LYS 11 2HZ LYS 11 -7.605 -2.256 0.648
57 HA PRO 12 HA PRO 12 -7.694 -2.383 -9.386
58 HB2 PRO 12 1HB PRO 12 -8.431 0.206 -9.736
59 HB3 PRO 12 2HB PRO 12 -9.592 -1.089 -9.422
60 HG2 PRO 12 1HG PRO 12 -8.423 0.909 -7.523
61 HG3 PRO 12 2HG PRO 12 -10.098 0.345 -7.663
62 HD2 PRO 12 1HD PRO 12 -8.401 -0.587 -5.771
63 HD3 PRO 12 2HD PRO 12 -9.677 -1.592 -6.486
64 H TYR 13 H TYR 13 -6.574 0.474 -7.558
65 HA TYR 13 HA TYR 13 -4.555 1.110 -9.478
66 HB2 TYR 13 1HB TYR 13 -4.751 2.100 -6.630
67 HB3 TYR 13 2HB TYR 13 -3.914 2.872 -7.972
68 HD1 TYR 13 HD1 TYR 13 -5.167 4.050 -9.708
69 HD2 TYR 13 HD2 TYR 13 -7.151 2.269 -6.393
70 HE1 TYR 13 HE1 TYR 13 -7.191 5.345 -10.232
71 HE2 TYR 13 HE2 TYR 13 -9.181 3.558 -6.908
72 HH TYR 13 HH TYR 13 -9.815 4.945 -9.721
73 H VAL 14 H VAL 14 -2.767 -0.037 -9.746
74 HA VAL 14 HA VAL 14 -1.417 -1.117 -7.359
75 HB VAL 14 HB VAL 14 -1.637 -2.427 -10.072
76 HG11 VAL 14 1HG1 VAL 14 0.088 -3.759 -9.583
77 HG12 VAL 14 2HG1 VAL 14 0.509 -2.563 -8.355
78 HG13 VAL 14 3HG1 VAL 14 -0.446 -3.981 -7.917
79 HG21 VAL 14 3HG2 VAL 14 -3.205 -2.610 -7.673
80 HG22 VAL 14 1HG2 VAL 14 -3.453 -3.394 -9.233
81 HG23 VAL 14 2HG2 VAL 14 -2.434 -4.159 -8.014
82 H CYS 15 H CYS 15 0.335 0.104 -7.070
83 HA CYS 15 HA CYS 15 1.615 1.751 -8.834
84 HB2 CYS 15 1HB CYS 15 2.144 1.806 -6.481
85 HB3 CYS 15 2HB CYS 15 2.802 0.174 -6.545
86 H ASP 16 H ASP 16 3.019 1.564 -10.479
87 HA ASP 16 HA ASP 16 3.731 -1.141 -11.335
88 HB2 ASP 16 1HB ASP 16 3.675 1.519 -12.755
89 HB3 ASP 16 2HB ASP 16 4.415 0.088 -13.468
90 H TYR 17 H TYR 17 5.118 0.118 -9.123
91 HA TYR 17 HA TYR 17 7.823 0.243 -10.284
92 HB2 TYR 17 1HB TYR 17 7.014 2.447 -9.408
93 HB3 TYR 17 2HB TYR 17 6.900 1.717 -7.810
94 HD1 TYR 17 HD2 TYR 17 9.176 0.419 -7.124
95 HD2 TYR 17 HD1 TYR 17 8.901 3.694 -9.826
96 HE1 TYR 17 HE2 TYR 17 11.540 0.954 -6.706
97 HE2 TYR 17 HE1 TYR 17 11.265 4.238 -9.417
98 HH TYR 17 HH TYR 17 13.418 2.454 -8.432
99 H CYS 18 H CYS 18 6.159 -0.244 -7.164
100 HA CYS 18 HA CYS 18 8.148 -2.310 -6.514
101 HB2 CYS 18 1HB CYS 18 7.427 -1.999 -4.168
102 HB3 CYS 18 2HB CYS 18 8.035 -0.509 -4.883
103 H GLY 19 H GLY 19 4.659 -1.630 -6.320
104 HA2 GLY 19 1HA GLY 19 3.273 -3.491 -7.293
105 HA3 GLY 19 2HA GLY 19 4.203 -4.548 -6.242
106 H LYS 20 H LYS 20 3.285 -1.401 -5.121
107 HA LYS 20 HA LYS 20 1.684 -2.615 -3.029
108 HB2 LYS 20 1HB LYS 20 3.410 -0.576 -2.936
109 HB3 LYS 20 2HB LYS 20 1.944 0.340 -3.262
110 HG2 LYS 20 1HG LYS 20 2.158 -1.641 -1.013
111 HG3 LYS 20 2HG LYS 20 2.577 0.065 -0.838
112 HD2 LYS 20 1HD LYS 20 0.408 0.754 -0.982
113 HD3 LYS 20 2HD LYS 20 -0.060 -0.583 -2.036
114 HE2 LYS 20 1HE LYS 20 -1.139 -1.016 0.000
115 HE3 LYS 20 2HE LYS 20 0.266 -2.082 -0.001
116 HZ1 LYS 20 3HZ LYS 20 -0.329 -0.602 2.066
117 HZ2 LYS 20 1HZ LYS 20 0.551 0.565 1.215
118 HZ3 LYS 20 2HZ LYS 20 1.280 -0.902 1.638
119 H ALA 21 H ALA 21 -0.473 -2.654 -2.949
120 HA ALA 21 HA ALA 21 -1.962 -1.464 -5.152
121 HB1 ALA 21 3HB ALA 21 -2.177 -3.882 -3.955
122 HB2 ALA 21 1HB ALA 21 -3.436 -2.980 -3.111
123 HB3 ALA 21 2HB ALA 21 -3.471 -3.107 -4.870
124 H PHE 22 H PHE 22 -3.873 -0.207 -4.811
125 HA PHE 22 HA PHE 22 -4.229 0.979 -2.171
126 HB2 PHE 22 1HB PHE 22 -3.534 2.554 -4.652
127 HB3 PHE 22 2HB PHE 22 -4.241 3.282 -3.214
128 HD1 PHE 22 HD2 PHE 22 -2.971 3.287 -1.086
129 HD2 PHE 22 HD1 PHE 22 -1.238 1.999 -4.754
130 HE1 PHE 22 HE2 PHE 22 -0.727 3.538 -0.110
131 HE2 PHE 22 HE1 PHE 22 1.009 2.247 -3.783
132 HZ PHE 22 HZ PHE 22 1.267 3.019 -1.459
133 H GLY 23 H GLY 23 -6.296 1.645 -1.758
134 HA2 GLY 23 1HA GLY 23 -8.329 0.710 -3.569
135 HA3 GLY 23 2HA GLY 23 -8.591 1.452 -1.997
136 H LEU 24 H LEU 24 -6.817 3.745 -2.928
137 HA LEU 24 HA LEU 24 -8.869 5.099 -4.552
138 HB2 LEU 24 1HB LEU 24 -7.236 6.007 -2.227
139 HB3 LEU 24 2HB LEU 24 -7.735 7.187 -3.437
140 HG LEU 24 HG LEU 24 -9.258 7.211 -1.556
141 HD11 LEU 24 1HD1 LEU 24 -11.084 5.891 -3.369
142 HD12 LEU 24 2HD1 LEU 24 -9.974 6.962 -4.223
143 HD13 LEU 24 3HD1 LEU 24 -10.975 7.592 -2.914
144 HD21 LEU 24 3HD2 LEU 24 -8.974 4.999 -0.684
145 HD22 LEU 24 1HD2 LEU 24 -9.616 4.281 -2.162
146 HD23 LEU 24 2HD2 LEU 24 -10.675 5.213 -1.103
147 H SER 25 H SER 25 -8.046 6.914 -5.879
148 HA SER 25 HA SER 25 -5.715 6.058 -7.348
149 HB2 SER 25 1HB SER 25 -6.315 7.780 -8.946
150 HB3 SER 25 2HB SER 25 -7.774 6.907 -8.475
151 HG SER 25 HG SER 25 -7.889 8.724 -6.818
152 H ALA 26 H ALA 26 -6.603 8.704 -5.212
153 HA ALA 26 HA ALA 26 -4.305 10.297 -5.647
154 HB1 ALA 26 3HB ALA 26 -5.566 11.689 -4.465
155 HB2 ALA 26 1HB ALA 26 -6.630 10.370 -3.976
156 HB3 ALA 26 2HB ALA 26 -5.196 10.747 -3.021
157 H GLU 27 H GLU 27 -5.061 7.750 -3.310
158 HA GLU 27 HA GLU 27 -2.866 7.971 -1.637
159 HB2 GLU 27 1HB GLU 27 -4.276 5.456 -2.546
160 HB3 GLU 27 2HB GLU 27 -3.186 5.558 -1.170
161 HG2 GLU 27 1HG GLU 27 -5.575 7.340 -1.313
162 HG3 GLU 27 2HG GLU 27 -5.750 5.661 -0.807
163 H LEU 28 H LEU 28 -3.163 6.140 -4.665
164 HA LEU 28 HA LEU 28 -0.632 4.970 -4.670
165 HB2 LEU 28 1HB LEU 28 -2.245 4.203 -6.220
166 HB3 LEU 28 2HB LEU 28 -2.462 5.814 -6.899
167 HG LEU 28 HG LEU 28 -0.149 5.667 -7.816
168 HD11 LEU 28 1HD1 LEU 28 0.137 3.569 -6.073
169 HD12 LEU 28 2HD1 LEU 28 1.226 3.959 -7.404
170 HD13 LEU 28 3HD1 LEU 28 -0.049 2.762 -7.630
171 HD21 LEU 28 3HD2 LEU 28 -2.024 5.212 -9.253
172 HD22 LEU 28 1HD2 LEU 28 -2.131 3.556 -8.656
173 HD23 LEU 28 2HD2 LEU 28 -0.736 4.060 -9.611
174 H VAL 29 H VAL 29 -1.682 7.980 -6.268
175 HA VAL 29 HA VAL 29 0.713 8.782 -7.357
176 HB VAL 29 HB VAL 29 -1.381 10.555 -6.090
177 HG11 VAL 29 1HG1 VAL 29 0.790 11.209 -8.080
178 HG12 VAL 29 2HG1 VAL 29 -0.499 12.304 -7.577
179 HG13 VAL 29 3HG1 VAL 29 0.704 11.759 -6.407
180 HG21 VAL 29 3HG2 VAL 29 -2.554 10.505 -8.060
181 HG22 VAL 29 1HG2 VAL 29 -1.132 10.104 -9.023
182 HG23 VAL 29 2HG2 VAL 29 -1.908 8.864 -8.038
183 H ARG 30 H ARG 30 -0.480 9.404 -4.069
184 HA ARG 30 HA ARG 30 1.808 10.880 -3.253
185 HB2 ARG 30 1HB ARG 30 -0.559 9.680 -1.898
186 HB3 ARG 30 2HB ARG 30 0.830 10.099 -0.904
187 HG2 ARG 30 1HG ARG 30 -0.509 11.989 -0.804
188 HG3 ARG 30 2HG ARG 30 0.691 12.399 -2.031
189 HD2 ARG 30 1HD ARG 30 -1.137 11.339 -3.632
190 HD3 ARG 30 2HD ARG 30 -2.209 11.819 -2.317
191 HE ARG 30 HE ARG 30 -0.457 13.929 -3.109
192 HH11 ARG 30 1HH1 ARG 30 -3.412 12.275 -3.916
193 HH12 ARG 30 2HH1 ARG 30 -4.102 13.635 -4.738
194 HH21 ARG 30 1HH2 ARG 30 -1.355 15.727 -4.189
195 HH22 ARG 30 2HH2 ARG 30 -2.930 15.597 -4.894
196 H HIS 31 H HIS 31 1.112 7.520 -3.531
197 HA HIS 31 HA HIS 31 3.105 6.627 -1.663
198 HB2 HIS 31 1HB HIS 31 1.512 4.992 -1.890
199 HB3 HIS 31 2HB HIS 31 1.243 5.339 -3.596
200 HD1 HIS 31 HD1 HIS 31 3.296 3.258 -1.299
201 HD2 HIS 31 HD2 HIS 31 2.993 4.013 -5.373
202 HE1 HIS 31 HE1 HIS 31 4.640 1.452 -2.419
203 H GLN 32 H GLN 32 2.849 6.610 -5.218
204 HA GLN 32 HA GLN 32 5.242 5.523 -5.919
205 HB2 GLN 32 1HB GLN 32 3.809 7.867 -7.167
206 HB3 GLN 32 2HB GLN 32 5.190 7.074 -7.913
207 HG2 GLN 32 1HG GLN 32 2.883 5.395 -7.093
208 HG3 GLN 32 2HG GLN 32 2.712 6.419 -8.518
209 HE21 GLN 32 1HE2 GLN 32 2.445 4.004 -9.207
210 HE22 GLN 32 2HE2 GLN 32 3.873 3.285 -9.863
211 H ARG 33 H ARG 33 4.727 8.525 -4.314
212 HA ARG 33 HA ARG 33 6.995 9.973 -4.977
213 HB2 ARG 33 1HB ARG 33 5.711 9.799 -2.246
214 HB3 ARG 33 2HB ARG 33 6.735 11.102 -2.834
215 HG2 ARG 33 1HG ARG 33 5.019 11.520 -4.614
216 HG3 ARG 33 2HG ARG 33 3.977 10.369 -3.776
217 HD2 ARG 33 1HD ARG 33 5.196 12.678 -2.310
218 HD3 ARG 33 2HD ARG 33 3.733 12.896 -3.270
219 HE ARG 33 HE ARG 33 2.548 11.691 -1.702
220 HH11 ARG 33 1HH1 ARG 33 5.962 11.453 -1.061
221 HH12 ARG 33 2HH1 ARG 33 5.751 10.732 0.500
222 HH21 ARG 33 1HH2 ARG 33 2.258 10.742 0.352
223 HH22 ARG 33 2HH2 ARG 33 3.644 10.327 1.303
224 H ILE 34 H ILE 34 6.600 7.421 -2.555
225 HA ILE 34 HA ILE 34 9.021 7.533 -1.262
226 HB ILE 34 HB ILE 34 8.770 5.231 -0.698
227 HG12 ILE 34 1HG1 ILE 34 6.824 5.012 -3.005
228 HG13 ILE 34 2HG1 ILE 34 8.465 4.375 -2.996
229 HG21 ILE 34 1HG2 ILE 34 6.005 6.364 -1.095
230 HG22 ILE 34 2HG2 ILE 34 6.491 5.152 0.090
231 HG23 ILE 34 3HG2 ILE 34 7.097 6.804 0.218
232 HD11 ILE 34 3HD1 ILE 34 7.669 3.079 -0.897
233 HD12 ILE 34 1HD1 ILE 34 6.056 3.421 -1.524
234 HD13 ILE 34 2HD1 ILE 34 7.210 2.515 -2.504
235 H HIS 35 H HIS 35 8.362 6.512 -4.514
236 HA HIS 35 HA HIS 35 10.947 5.255 -4.865
237 HB2 HIS 35 1HB HIS 35 8.895 5.956 -6.971
238 HB3 HIS 35 2HB HIS 35 10.237 4.828 -7.136
239 HD1 HIS 35 HD1 HIS 35 9.930 3.072 -4.716
240 HD2 HIS 35 HD2 HIS 35 6.692 4.391 -6.961
241 HE1 HIS 35 HE1 HIS 35 8.082 1.426 -4.263
242 H THR 36 H THR 36 9.475 8.355 -5.376
243 HA THR 36 HA THR 36 12.061 9.452 -6.137
244 HB THR 36 HB THR 36 11.310 9.166 -8.328
245 HG1 THR 36 HG1 THR 36 11.597 11.523 -7.475
246 HG21 THR 36 3HG2 THR 36 8.933 8.580 -7.477
247 HG22 THR 36 1HG2 THR 36 9.113 9.263 -9.092
248 HG23 THR 36 2HG2 THR 36 8.589 10.287 -7.755
249 H GLY 37 H GLY 37 12.419 11.295 -5.077
250 HA2 GLY 37 1HA GLY 37 11.216 13.570 -4.750
251 HA3 GLY 37 2HA GLY 37 10.129 12.596 -3.771
252 H GLU 38 H GLU 38 10.883 11.703 -1.809
253 HA GLU 38 HA GLU 38 12.991 13.293 -0.593
254 HB2 GLU 38 1HB GLU 38 10.811 12.953 0.555
255 HB3 GLU 38 2HB GLU 38 11.170 11.235 0.667
256 HG2 GLU 38 1HG GLU 38 11.699 12.159 2.762
257 HG3 GLU 38 2HG GLU 38 13.237 11.861 1.954
258 H LYS 39 H LYS 39 15.017 12.608 -0.678
259 HA LYS 39 HA LYS 39 16.012 10.248 -1.567
260 HB2 LYS 39 1HB LYS 39 17.064 12.187 0.468
261 HB3 LYS 39 2HB LYS 39 17.969 10.727 0.091
262 HG2 LYS 39 1HG LYS 39 17.086 12.690 -2.006
263 HG3 LYS 39 2HG LYS 39 18.636 12.798 -1.169
264 HD2 LYS 39 1HD LYS 39 19.415 10.807 -2.108
265 HD3 LYS 39 2HD LYS 39 17.791 10.268 -2.541
266 HE2 LYS 39 1HE LYS 39 18.870 12.770 -3.756
267 HE3 LYS 39 2HE LYS 39 19.429 11.212 -4.362
268 HZ1 LYS 39 3HZ LYS 39 16.613 12.147 -4.246
269 HZ2 LYS 39 1HZ LYS 39 17.095 10.601 -4.737
270 HZ3 LYS 39 2HZ LYS 39 17.554 11.956 -5.639
271 HA PRO 40 HA PRO 40 14.871 7.141 1.348
272 HB2 PRO 40 1HB PRO 40 16.678 5.247 0.629
273 HB3 PRO 40 2HB PRO 40 15.255 5.636 -0.345
274 HG2 PRO 40 1HG PRO 40 18.088 6.541 -0.684
275 HG3 PRO 40 2HG PRO 40 16.932 5.998 -1.914
276 HD2 PRO 40 1HD PRO 40 17.459 8.616 -1.466
277 HD3 PRO 40 2HD PRO 40 15.865 8.040 -1.995
278 H SER 41 H SER 41 15.488 8.138 3.299
279 HA SER 41 HA SER 41 18.268 7.879 4.151
280 HB2 SER 41 1HB SER 41 15.877 9.305 5.314
281 HB3 SER 41 2HB SER 41 17.391 9.131 6.201
282 HG SER 41 HG SER 41 18.215 10.015 3.984
283 H GLY 42 H GLY 42 18.793 5.928 4.910
284 HA2 GLY 42 1HA GLY 42 18.855 4.234 6.496
285 HA3 GLY 42 2HA GLY 42 17.394 4.895 7.215
286 HA PRO 43 HA PRO 43 16.650 1.095 4.366
287 HB2 PRO 43 1HB PRO 43 16.832 -0.927 6.168
288 HB3 PRO 43 2HB PRO 43 18.205 -0.376 5.201
289 HG2 PRO 43 1HG PRO 43 17.498 0.283 8.035
290 HG3 PRO 43 2HG PRO 43 19.081 -0.109 7.338
291 HD2 PRO 43 1HD PRO 43 18.310 2.432 7.866
292 HD3 PRO 43 2HD PRO 43 19.386 2.022 6.515
293 H SER 44 H SER 44 14.571 2.141 4.454
294 HA SER 44 HA SER 44 12.809 1.118 6.582
295 HB2 SER 44 1HB SER 44 13.141 3.678 6.187
296 HB3 SER 44 2HB SER 44 12.072 3.427 4.807
297 HG SER 44 HG SER 44 11.519 2.907 7.540
298 H SER 45 H SER 45 10.392 1.209 5.656
299 HA SER 45 HA SER 45 8.849 0.150 4.361
300 HB2 SER 45 1HB SER 45 10.859 1.022 2.301
301 HB3 SER 45 2HB SER 45 9.453 0.065 1.835
302 HG SER 45 HG SER 45 8.873 2.192 1.659
303 H GLY 46 H GLY 46 10.301 -1.572 5.804
304 HA2 GLY 46 1HA GLY 46 10.999 -3.743 3.926
305 HA3 GLY 46 2HA GLY 46 11.685 -3.570 5.534
Start of MODEL 16
1 H1 GLY 1 H GLY 1 6.351 -13.526 13.884
2 HA2 GLY 1 1HA GLY 1 5.636 -15.291 15.535
3 HA3 GLY 1 2HA GLY 1 5.264 -13.943 16.599
4 H SER 2 H SER 2 4.603 -14.716 13.179
5 HA SER 2 HA SER 2 1.986 -13.544 13.345
6 HB2 SER 2 1HB SER 2 3.606 -14.858 11.204
7 HB3 SER 2 2HB SER 2 1.864 -14.712 10.974
8 HG SER 2 HG SER 2 3.559 -12.539 11.646
9 H SER 3 H SER 3 0.131 -14.511 13.845
10 HA SER 3 HA SER 3 0.093 -17.455 13.978
11 HB2 SER 3 1HB SER 3 -0.059 -16.340 16.190
12 HB3 SER 3 2HB SER 3 -1.516 -15.507 15.648
13 HG SER 3 HG SER 3 -2.494 -17.216 16.378
14 H GLY 4 H GLY 4 -1.992 -14.609 13.484
15 HA2 GLY 4 1HA GLY 4 -3.720 -16.304 11.790
16 HA3 GLY 4 2HA GLY 4 -4.299 -14.924 12.711
17 H SER 5 H SER 5 -3.820 -15.861 9.695
18 HA SER 5 HA SER 5 -3.700 -13.186 8.681
19 HB2 SER 5 1HB SER 5 -1.693 -13.629 7.213
20 HB3 SER 5 2HB SER 5 -1.329 -13.438 8.928
21 HG SER 5 HG SER 5 -1.293 -15.752 7.342
22 H SER 6 H SER 6 -4.531 -13.028 6.631
23 HA SER 6 HA SER 6 -4.938 -15.442 5.055
24 HB2 SER 6 1HB SER 6 -7.157 -13.845 6.305
25 HB3 SER 6 2HB SER 6 -7.417 -14.704 4.787
26 HG SER 6 HG SER 6 -7.218 -16.590 5.795
27 H GLY 7 H GLY 7 -5.924 -14.922 2.903
28 HA2 GLY 7 1HA GLY 7 -4.967 -12.273 2.021
29 HA3 GLY 7 2HA GLY 7 -4.968 -13.716 1.018
30 H SER 8 H SER 8 -6.915 -11.159 2.383
31 HA SER 8 HA SER 8 -8.909 -11.626 0.299
32 HB2 SER 8 1HB SER 8 -9.723 -12.774 2.359
33 HB3 SER 8 2HB SER 8 -9.679 -11.223 3.199
34 HG SER 8 HG SER 8 -11.220 -11.813 0.888
35 H GLY 9 H GLY 9 -9.849 -9.783 -0.484
36 HA2 GLY 9 1HA GLY 9 -10.483 -7.507 -0.437
37 HA3 GLY 9 2HA GLY 9 -9.417 -7.263 0.939
38 H GLU 10 H GLU 10 -9.735 -7.141 -2.472
39 HA GLU 10 HA GLU 10 -6.878 -6.497 -2.761
40 HB2 GLU 10 1HB GLU 10 -7.143 -6.948 -5.139
41 HB3 GLU 10 2HB GLU 10 -7.683 -8.328 -4.193
42 HG2 GLU 10 1HG GLU 10 -10.014 -7.571 -4.483
43 HG3 GLU 10 2HG GLU 10 -9.431 -6.266 -5.515
44 H LYS 11 H LYS 11 -6.612 -4.917 -4.767
45 HA LYS 11 HA LYS 11 -8.557 -2.730 -4.542
46 HB2 LYS 11 1HB LYS 11 -5.564 -2.322 -4.457
47 HB3 LYS 11 2HB LYS 11 -6.803 -1.082 -4.314
48 HG2 LYS 11 1HG LYS 11 -6.740 -3.323 -2.348
49 HG3 LYS 11 2HG LYS 11 -5.592 -1.991 -2.195
50 HD2 LYS 11 1HD LYS 11 -7.615 -0.448 -2.357
51 HD3 LYS 11 2HD LYS 11 -8.597 -1.892 -2.098
52 HE2 LYS 11 1HE LYS 11 -8.229 -0.769 0.009
53 HE3 LYS 11 2HE LYS 11 -7.375 -2.311 0.002
54 HZ1 LYS 11 3HZ LYS 11 -5.544 -0.542 -0.960
55 HZ2 LYS 11 1HZ LYS 11 -5.608 -1.136 0.623
56 HZ3 LYS 11 2HZ LYS 11 -6.333 0.344 0.245
57 HA PRO 12 HA PRO 12 -8.256 -2.547 -8.923
58 HB2 PRO 12 1HB PRO 12 -8.928 0.050 -9.341
59 HB3 PRO 12 2HB PRO 12 -10.101 -1.180 -8.856
60 HG2 PRO 12 1HG PRO 12 -8.692 0.859 -7.178
61 HG3 PRO 12 2HG PRO 12 -10.393 0.358 -7.137
62 HD2 PRO 12 1HD PRO 12 -8.564 -0.548 -5.358
63 HD3 PRO 12 2HD PRO 12 -9.937 -1.534 -5.903
64 H TYR 13 H TYR 13 -6.793 0.247 -7.258
65 HA TYR 13 HA TYR 13 -4.937 0.700 -9.417
66 HB2 TYR 13 1HB TYR 13 -4.983 1.936 -6.657
67 HB3 TYR 13 2HB TYR 13 -4.098 2.531 -8.058
68 HD1 TYR 13 HD1 TYR 13 -5.275 3.633 -9.897
69 HD2 TYR 13 HD2 TYR 13 -7.360 2.299 -6.437
70 HE1 TYR 13 HE1 TYR 13 -7.207 5.015 -10.536
71 HE2 TYR 13 HE2 TYR 13 -9.298 3.676 -7.066
72 HH TYR 13 HH TYR 13 -9.464 5.998 -8.659
73 H VAL 14 H VAL 14 -2.682 0.480 -9.318
74 HA VAL 14 HA VAL 14 -1.454 -0.839 -7.056
75 HB VAL 14 HB VAL 14 -1.586 -2.241 -9.730
76 HG11 VAL 14 1HG1 VAL 14 -0.360 -3.457 -7.306
77 HG12 VAL 14 2HG1 VAL 14 -0.013 -3.741 -9.013
78 HG13 VAL 14 3HG1 VAL 14 0.577 -2.278 -8.224
79 HG21 VAL 14 3HG2 VAL 14 -3.627 -2.621 -8.588
80 HG22 VAL 14 1HG2 VAL 14 -2.638 -4.057 -8.325
81 HG23 VAL 14 2HG2 VAL 14 -2.804 -2.854 -7.046
82 H CYS 15 H CYS 15 0.578 -0.156 -6.841
83 HA CYS 15 HA CYS 15 1.716 1.586 -8.821
84 HB2 CYS 15 1HB CYS 15 1.983 2.053 -6.428
85 HB3 CYS 15 2HB CYS 15 2.869 0.546 -6.224
86 H ASP 16 H ASP 16 1.853 0.005 -10.557
87 HA ASP 16 HA ASP 16 3.139 -2.355 -10.700
88 HB2 ASP 16 1HB ASP 16 3.256 -0.031 -12.616
89 HB3 ASP 16 2HB ASP 16 3.993 -1.586 -12.990
90 H TYR 17 H TYR 17 4.647 0.760 -10.209
91 HA TYR 17 HA TYR 17 7.274 0.302 -10.807
92 HB2 TYR 17 1HB TYR 17 6.074 2.368 -9.725
93 HB3 TYR 17 2HB TYR 17 6.614 1.648 -8.213
94 HD1 TYR 17 HD2 TYR 17 9.219 0.825 -8.405
95 HD2 TYR 17 HD1 TYR 17 7.427 4.031 -10.552
96 HE1 TYR 17 HE2 TYR 17 11.432 1.857 -8.699
97 HE2 TYR 17 HE1 TYR 17 9.635 5.072 -10.854
98 HH TYR 17 HH TYR 17 12.588 3.457 -9.781
99 H CYS 18 H CYS 18 5.945 -0.149 -7.525
100 HA CYS 18 HA CYS 18 8.098 -2.062 -6.982
101 HB2 CYS 18 1HB CYS 18 7.562 -1.750 -4.627
102 HB3 CYS 18 2HB CYS 18 7.805 -0.188 -5.401
103 H GLY 19 H GLY 19 4.571 -1.731 -6.748
104 HA2 GLY 19 1HA GLY 19 3.323 -3.722 -7.578
105 HA3 GLY 19 2HA GLY 19 4.413 -4.678 -6.585
106 H LYS 20 H LYS 20 2.963 -1.614 -5.641
107 HA LYS 20 HA LYS 20 1.731 -2.963 -3.361
108 HB2 LYS 20 1HB LYS 20 3.190 -0.753 -3.352
109 HB3 LYS 20 2HB LYS 20 1.644 0.000 -3.720
110 HG2 LYS 20 1HG LYS 20 0.703 -0.666 -1.689
111 HG3 LYS 20 2HG LYS 20 1.961 -1.870 -1.399
112 HD2 LYS 20 1HD LYS 20 3.586 -0.167 -0.974
113 HD3 LYS 20 2HD LYS 20 2.474 1.100 -1.497
114 HE2 LYS 20 1HE LYS 20 2.026 -0.706 0.877
115 HE3 LYS 20 2HE LYS 20 2.699 0.921 0.970
116 HZ1 LYS 20 3HZ LYS 20 0.307 0.854 1.438
117 HZ2 LYS 20 1HZ LYS 20 0.017 0.259 -0.118
118 HZ3 LYS 20 2HZ LYS 20 0.660 1.809 0.088
119 H ALA 21 H ALA 21 -0.441 -2.082 -2.655
120 HA ALA 21 HA ALA 21 -2.177 -1.724 -5.011
121 HB1 ALA 21 3HB ALA 21 -3.459 -3.423 -4.361
122 HB2 ALA 21 1HB ALA 21 -2.190 -3.831 -3.206
123 HB3 ALA 21 2HB ALA 21 -3.544 -2.816 -2.707
124 H PHE 22 H PHE 22 -4.055 -0.426 -4.749
125 HA PHE 22 HA PHE 22 -4.376 1.113 -2.319
126 HB2 PHE 22 1HB PHE 22 -3.862 2.624 -4.877
127 HB3 PHE 22 2HB PHE 22 -3.964 3.262 -3.240
128 HD1 PHE 22 HD1 PHE 22 -1.897 1.237 -5.532
129 HD2 PHE 22 HD2 PHE 22 -2.067 3.360 -1.848
130 HE1 PHE 22 HE1 PHE 22 0.546 1.047 -5.314
131 HE2 PHE 22 HE2 PHE 22 0.376 3.174 -1.624
132 HZ PHE 22 HZ PHE 22 1.686 2.017 -3.359
133 H GLY 23 H GLY 23 -6.435 1.826 -2.049
134 HA2 GLY 23 1HA GLY 23 -8.418 0.851 -3.889
135 HA3 GLY 23 2HA GLY 23 -8.721 1.711 -2.386
136 H LEU 24 H LEU 24 -7.064 3.991 -3.083
137 HA LEU 24 HA LEU 24 -8.875 5.240 -5.036
138 HB2 LEU 24 1HB LEU 24 -7.528 6.196 -2.573
139 HB3 LEU 24 2HB LEU 24 -7.737 7.355 -3.884
140 HG LEU 24 HG LEU 24 -10.242 6.460 -3.745
141 HD11 LEU 24 1HD1 LEU 24 -10.171 4.901 -2.046
142 HD12 LEU 24 2HD1 LEU 24 -10.684 6.354 -1.189
143 HD13 LEU 24 3HD1 LEU 24 -9.004 5.826 -1.101
144 HD21 LEU 24 3HD2 LEU 24 -9.219 8.456 -1.740
145 HD22 LEU 24 1HD2 LEU 24 -10.780 8.432 -2.561
146 HD23 LEU 24 2HD2 LEU 24 -9.312 8.795 -3.469
147 H SER 25 H SER 25 -7.813 7.192 -6.161
148 HA SER 25 HA SER 25 -5.490 6.189 -7.553
149 HB2 SER 25 1HB SER 25 -5.880 7.906 -9.141
150 HB3 SER 25 2HB SER 25 -7.483 7.374 -8.634
151 HG SER 25 HG SER 25 -6.523 9.812 -8.560
152 H ALA 26 H ALA 26 -6.277 9.145 -5.728
153 HA ALA 26 HA ALA 26 -3.794 10.368 -5.814
154 HB1 ALA 26 3HB ALA 26 -4.482 11.643 -3.900
155 HB2 ALA 26 1HB ALA 26 -5.883 11.388 -4.941
156 HB3 ALA 26 2HB ALA 26 -5.689 10.431 -3.471
157 H GLU 27 H GLU 27 -5.009 7.948 -3.526
158 HA GLU 27 HA GLU 27 -2.905 7.928 -1.720
159 HB2 GLU 27 1HB GLU 27 -4.752 5.746 -2.667
160 HB3 GLU 27 2HB GLU 27 -3.537 5.457 -1.429
161 HG2 GLU 27 1HG GLU 27 -4.648 7.568 -0.321
162 HG3 GLU 27 2HG GLU 27 -6.022 7.078 -1.310
163 H LEU 28 H LEU 28 -3.211 6.279 -4.828
164 HA LEU 28 HA LEU 28 -0.810 4.781 -4.606
165 HB2 LEU 28 1HB LEU 28 -2.320 3.948 -6.159
166 HB3 LEU 28 2HB LEU 28 -2.627 5.537 -6.857
167 HG LEU 28 HG LEU 28 -0.349 5.471 -7.858
168 HD11 LEU 28 1HD1 LEU 28 -0.368 2.749 -6.602
169 HD12 LEU 28 2HD1 LEU 28 0.874 3.998 -6.525
170 HD13 LEU 28 3HD1 LEU 28 0.615 3.104 -8.023
171 HD21 LEU 28 3HD2 LEU 28 -2.153 3.173 -8.610
172 HD22 LEU 28 1HD2 LEU 28 -0.929 3.920 -9.637
173 HD23 LEU 28 2HD2 LEU 28 -2.346 4.845 -9.138
174 H VAL 29 H VAL 29 -1.604 7.807 -6.302
175 HA VAL 29 HA VAL 29 0.932 8.305 -7.368
176 HB VAL 29 HB VAL 29 -1.168 10.299 -6.509
177 HG11 VAL 29 1HG1 VAL 29 1.213 11.151 -6.838
178 HG12 VAL 29 2HG1 VAL 29 0.994 10.756 -8.544
179 HG13 VAL 29 3HG1 VAL 29 -0.059 11.940 -7.769
180 HG21 VAL 29 3HG2 VAL 29 -2.322 9.357 -8.181
181 HG22 VAL 29 1HG2 VAL 29 -1.179 10.174 -9.248
182 HG23 VAL 29 2HG2 VAL 29 -0.910 8.492 -8.789
183 H ARG 30 H ARG 30 -0.473 9.200 -4.247
184 HA ARG 30 HA ARG 30 1.712 10.781 -3.378
185 HB2 ARG 30 1HB ARG 30 -0.663 9.530 -2.078
186 HB3 ARG 30 2HB ARG 30 0.648 10.088 -1.049
187 HG2 ARG 30 1HG ARG 30 -0.918 11.850 -1.177
188 HG3 ARG 30 2HG ARG 30 0.453 12.319 -2.185
189 HD2 ARG 30 1HD ARG 30 -0.858 11.349 -4.139
190 HD3 ARG 30 2HD ARG 30 -2.244 11.314 -3.050
191 HE ARG 30 HE ARG 30 -2.405 13.600 -3.219
192 HH11 ARG 30 1HH1 ARG 30 0.627 12.536 -4.562
193 HH12 ARG 30 2HH1 ARG 30 1.013 14.079 -5.249
194 HH21 ARG 30 1HH2 ARG 30 -1.907 15.636 -4.119
195 HH22 ARG 30 2HH2 ARG 30 -0.428 15.842 -4.995
196 H HIS 31 H HIS 31 1.113 7.372 -3.437
197 HA HIS 31 HA HIS 31 3.038 6.651 -1.452
198 HB2 HIS 31 1HB HIS 31 1.535 4.938 -1.723
199 HB3 HIS 31 2HB HIS 31 1.378 5.205 -3.457
200 HD1 HIS 31 HD1 HIS 31 3.511 3.447 -0.925
201 HD2 HIS 31 HD2 HIS 31 3.142 3.758 -5.052
202 HE1 HIS 31 HE1 HIS 31 4.968 1.627 -1.870
203 H GLN 32 H GLN 32 3.039 6.608 -5.010
204 HA GLN 32 HA GLN 32 5.568 5.590 -5.446
205 HB2 GLN 32 1HB GLN 32 4.171 7.751 -7.033
206 HB3 GLN 32 2HB GLN 32 5.518 6.775 -7.602
207 HG2 GLN 32 1HG GLN 32 3.906 4.789 -7.006
208 HG3 GLN 32 2HG GLN 32 2.671 6.031 -7.201
209 HE21 GLN 32 1HE2 GLN 32 1.862 6.196 -9.156
210 HE22 GLN 32 2HE2 GLN 32 2.654 5.770 -10.630
211 H ARG 33 H ARG 33 4.721 8.524 -3.966
212 HA ARG 33 HA ARG 33 6.752 10.266 -4.657
213 HB2 ARG 33 1HB ARG 33 5.407 9.841 -1.986
214 HB3 ARG 33 2HB ARG 33 6.478 11.191 -2.333
215 HG2 ARG 33 1HG ARG 33 4.183 10.725 -4.157
216 HG3 ARG 33 2HG ARG 33 3.862 11.398 -2.557
217 HD2 ARG 33 1HD ARG 33 4.212 13.333 -3.710
218 HD3 ARG 33 2HD ARG 33 5.870 12.985 -3.221
219 HE ARG 33 HE ARG 33 5.688 11.755 -5.611
220 HH11 ARG 33 1HH1 ARG 33 4.896 14.973 -4.542
221 HH12 ARG 33 2HH1 ARG 33 5.228 15.705 -6.076
222 HH21 ARG 33 1HH2 ARG 33 6.128 12.708 -7.636
223 HH22 ARG 33 2HH2 ARG 33 5.927 14.416 -7.836
224 H ILE 34 H ILE 34 6.819 7.543 -2.428
225 HA ILE 34 HA ILE 34 9.348 8.071 -1.288
226 HB ILE 34 HB ILE 34 9.199 6.023 -0.253
227 HG12 ILE 34 1HG1 ILE 34 9.328 4.685 -2.320
228 HG13 ILE 34 2HG1 ILE 34 8.138 4.033 -1.199
229 HG21 ILE 34 1HG2 ILE 34 6.864 7.467 -0.464
230 HG22 ILE 34 2HG2 ILE 34 6.350 5.813 -0.793
231 HG23 ILE 34 3HG2 ILE 34 7.193 6.192 0.709
232 HD11 ILE 34 3HD1 ILE 34 7.613 4.252 -3.748
233 HD12 ILE 34 1HD1 ILE 34 6.374 4.588 -2.539
234 HD13 ILE 34 2HD1 ILE 34 7.236 5.919 -3.312
235 H HIS 35 H HIS 35 8.427 6.925 -4.370
236 HA HIS 35 HA HIS 35 10.907 5.537 -4.908
237 HB2 HIS 35 1HB HIS 35 8.575 6.276 -6.684
238 HB3 HIS 35 2HB HIS 35 9.979 5.364 -7.232
239 HD1 HIS 35 HD1 HIS 35 10.226 3.500 -4.726
240 HD2 HIS 35 HD2 HIS 35 6.719 4.261 -6.820
241 HE1 HIS 35 HE1 HIS 35 8.725 1.536 -4.261
242 H THR 36 H THR 36 9.669 8.731 -5.168
243 HA THR 36 HA THR 36 11.870 9.522 -6.948
244 HB THR 36 HB THR 36 10.657 11.658 -7.226
245 HG1 THR 36 HG1 THR 36 8.511 11.770 -6.378
246 HG21 THR 36 3HG2 THR 36 10.144 10.197 -8.948
247 HG22 THR 36 1HG2 THR 36 8.545 10.571 -8.307
248 HG23 THR 36 2HG2 THR 36 9.335 9.053 -7.878
249 H GLY 37 H GLY 37 13.646 10.090 -5.865
250 HA2 GLY 37 1HA GLY 37 14.574 12.030 -4.623
251 HA3 GLY 37 2HA GLY 37 13.305 11.747 -3.440
252 H GLU 38 H GLU 38 13.958 10.760 -1.659
253 HA GLU 38 HA GLU 38 16.390 9.119 -1.775
254 HB2 GLU 38 1HB GLU 38 15.016 10.469 0.553
255 HB3 GLU 38 2HB GLU 38 16.421 9.424 0.707
256 HG2 GLU 38 1HG GLU 38 17.843 10.960 -0.207
257 HG3 GLU 38 2HG GLU 38 16.573 11.738 -1.151
258 H LYS 39 H LYS 39 16.391 7.348 0.001
259 HA LYS 39 HA LYS 39 13.822 5.908 -0.128
260 HB2 LYS 39 1HB LYS 39 16.642 4.891 -0.416
261 HB3 LYS 39 2HB LYS 39 15.311 3.820 0.001
262 HG2 LYS 39 1HG LYS 39 15.516 3.604 -2.305
263 HG3 LYS 39 2HG LYS 39 14.166 4.723 -2.100
264 HD2 LYS 39 1HD LYS 39 15.348 6.510 -2.898
265 HD3 LYS 39 2HD LYS 39 16.898 5.869 -2.347
266 HE2 LYS 39 1HE LYS 39 15.342 4.624 -4.599
267 HE3 LYS 39 2HE LYS 39 16.500 5.928 -4.859
268 HZ1 LYS 39 3HZ LYS 39 17.211 3.422 -5.004
269 HZ2 LYS 39 1HZ LYS 39 17.376 3.592 -3.328
270 HZ3 LYS 39 2HZ LYS 39 18.257 4.591 -4.371
271 HA PRO 40 HA PRO 40 14.778 6.556 4.329
272 HB2 PRO 40 1HB PRO 40 12.183 6.887 5.053
273 HB3 PRO 40 2HB PRO 40 13.186 8.208 4.441
274 HG2 PRO 40 1HG PRO 40 11.163 6.539 2.997
275 HG3 PRO 40 2HG PRO 40 11.432 8.290 2.916
276 HD2 PRO 40 1HD PRO 40 12.353 6.586 1.025
277 HD3 PRO 40 2HD PRO 40 13.210 8.077 1.465
278 H SER 41 H SER 41 12.039 4.726 2.967
279 HA SER 41 HA SER 41 12.848 2.408 4.548
280 HB2 SER 41 1HB SER 41 10.062 3.591 4.625
281 HB3 SER 41 2HB SER 41 10.504 2.018 5.290
282 HG SER 41 HG SER 41 11.537 4.540 6.089
283 H GLY 42 H GLY 42 12.544 0.503 3.516
284 HA2 GLY 42 1HA GLY 42 11.636 0.630 0.762
285 HA3 GLY 42 2HA GLY 42 12.404 -0.741 1.547
286 HA PRO 43 HA PRO 43 7.589 -0.958 1.403
287 HB2 PRO 43 1HB PRO 43 7.168 -2.078 -1.034
288 HB3 PRO 43 2HB PRO 43 7.159 -0.331 -0.765
289 HG2 PRO 43 1HG PRO 43 9.345 -2.072 -1.840
290 HG3 PRO 43 2HG PRO 43 8.801 -0.481 -2.405
291 HD2 PRO 43 1HD PRO 43 11.002 -0.804 -0.861
292 HD3 PRO 43 2HD PRO 43 9.975 0.641 -0.770
293 H SER 44 H SER 44 7.286 -2.647 2.716
294 HA SER 44 HA SER 44 8.560 -5.207 2.114
295 HB2 SER 44 1HB SER 44 8.067 -5.834 4.374
296 HB3 SER 44 2HB SER 44 8.677 -4.180 4.420
297 HG SER 44 HG SER 44 6.897 -3.799 5.470
298 H SER 45 H SER 45 5.344 -3.851 2.747
299 HA SER 45 HA SER 45 3.987 -6.325 2.267
300 HB2 SER 45 1HB SER 45 3.210 -4.244 3.648
301 HB3 SER 45 2HB SER 45 2.635 -3.651 2.090
302 HG SER 45 HG SER 45 1.982 -6.243 2.989
303 H GLY 46 H GLY 46 4.224 -3.270 0.440
304 HA2 GLY 46 1HA GLY 46 4.415 -4.606 -2.064
305 HA3 GLY 46 2HA GLY 46 2.781 -4.015 -1.804
Start of MODEL 17
1 H1 GLY 1 H GLY 1 2.035 -19.243 5.183
2 HA2 GLY 1 1HA GLY 1 0.058 -20.543 6.545
3 HA3 GLY 1 2HA GLY 1 0.454 -18.852 6.813
4 H SER 2 H SER 2 -1.764 -18.487 7.332
5 HA SER 2 HA SER 2 -3.570 -18.543 5.007
6 HB2 SER 2 1HB SER 2 -4.091 -18.704 7.968
7 HB3 SER 2 2HB SER 2 -5.366 -18.245 6.840
8 HG SER 2 HG SER 2 -3.824 -20.597 6.525
9 H SER 3 H SER 3 -2.925 -16.588 4.101
10 HA SER 3 HA SER 3 -3.160 -14.176 5.737
11 HB2 SER 3 1HB SER 3 -2.145 -14.577 2.913
12 HB3 SER 3 2HB SER 3 -2.191 -13.026 3.751
13 HG SER 3 HG SER 3 -0.925 -14.308 5.430
14 H GLY 4 H GLY 4 -4.203 -15.175 2.468
15 HA2 GLY 4 1HA GLY 4 -6.881 -14.891 2.619
16 HA3 GLY 4 2HA GLY 4 -6.340 -13.222 2.508
17 H SER 5 H SER 5 -5.664 -16.338 0.906
18 HA SER 5 HA SER 5 -5.129 -15.010 -1.597
19 HB2 SER 5 1HB SER 5 -5.025 -17.821 -0.601
20 HB3 SER 5 2HB SER 5 -5.153 -17.562 -2.340
21 HG SER 5 HG SER 5 -3.322 -15.933 -1.726
22 H SER 6 H SER 6 -6.905 -14.087 -2.473
23 HA SER 6 HA SER 6 -8.996 -15.878 -3.414
24 HB2 SER 6 1HB SER 6 -9.449 -13.625 -1.488
25 HB3 SER 6 2HB SER 6 -10.693 -14.018 -2.675
26 HG SER 6 HG SER 6 -9.539 -15.880 -0.870
27 H GLY 7 H GLY 7 -10.192 -15.045 -5.189
28 HA2 GLY 7 1HA GLY 7 -8.683 -13.074 -6.713
29 HA3 GLY 7 2HA GLY 7 -9.967 -14.107 -7.325
30 H SER 8 H SER 8 -9.973 -11.883 -4.560
31 HA SER 8 HA SER 8 -11.633 -9.977 -5.958
32 HB2 SER 8 1HB SER 8 -13.547 -10.164 -4.443
33 HB3 SER 8 2HB SER 8 -13.278 -11.693 -5.279
34 HG SER 8 HG SER 8 -11.912 -12.084 -3.231
35 H GLY 9 H GLY 9 -12.157 -8.089 -4.596
36 HA2 GLY 9 1HA GLY 9 -11.741 -6.613 -2.838
37 HA3 GLY 9 2HA GLY 9 -10.699 -7.821 -2.102
38 H GLU 10 H GLU 10 -9.078 -8.240 -4.461
39 HA GLU 10 HA GLU 10 -6.921 -6.705 -4.057
40 HB2 GLU 10 1HB GLU 10 -8.012 -7.801 -6.633
41 HB3 GLU 10 2HB GLU 10 -6.497 -6.910 -6.604
42 HG2 GLU 10 1HG GLU 10 -5.386 -8.552 -5.480
43 HG3 GLU 10 2HG GLU 10 -6.841 -9.146 -4.683
44 H LYS 11 H LYS 11 -6.480 -4.612 -4.043
45 HA LYS 11 HA LYS 11 -8.304 -2.623 -4.795
46 HB2 LYS 11 1HB LYS 11 -5.315 -2.290 -4.506
47 HB3 LYS 11 2HB LYS 11 -6.540 -1.039 -4.340
48 HG2 LYS 11 1HG LYS 11 -6.321 -3.435 -2.532
49 HG3 LYS 11 2HG LYS 11 -5.607 -1.858 -2.188
50 HD2 LYS 11 1HD LYS 11 -7.892 -0.867 -2.385
51 HD3 LYS 11 2HD LYS 11 -8.534 -2.506 -2.520
52 HE2 LYS 11 1HE LYS 11 -8.054 -3.017 -0.327
53 HE3 LYS 11 2HE LYS 11 -6.758 -1.826 -0.223
54 HZ1 LYS 11 3HZ LYS 11 -9.599 -1.043 -0.491
55 HZ2 LYS 11 1HZ LYS 11 -8.292 -0.086 -0.005
56 HZ3 LYS 11 2HZ LYS 11 -8.875 -1.302 1.015
57 HA PRO 12 HA PRO 12 -7.734 -2.249 -9.143
58 HB2 PRO 12 1HB PRO 12 -8.549 0.320 -9.468
59 HB3 PRO 12 2HB PRO 12 -9.668 -1.008 -9.139
60 HG2 PRO 12 1HG PRO 12 -8.522 1.013 -7.252
61 HG3 PRO 12 2HG PRO 12 -10.183 0.404 -7.365
62 HD2 PRO 12 1HD PRO 12 -8.427 -0.489 -5.507
63 HD3 PRO 12 2HD PRO 12 -9.688 -1.526 -6.205
64 H TYR 13 H TYR 13 -6.646 0.610 -7.301
65 HA TYR 13 HA TYR 13 -4.675 1.303 -9.261
66 HB2 TYR 13 1HB TYR 13 -4.873 2.316 -6.422
67 HB3 TYR 13 2HB TYR 13 -4.078 3.099 -7.782
68 HD1 TYR 13 HD1 TYR 13 -5.427 4.124 -9.583
69 HD2 TYR 13 HD2 TYR 13 -7.235 2.507 -6.087
70 HE1 TYR 13 HE1 TYR 13 -7.498 5.349 -10.095
71 HE2 TYR 13 HE2 TYR 13 -9.311 3.726 -6.590
72 HH TYR 13 HH TYR 13 -9.978 5.081 -9.547
73 H VAL 14 H VAL 14 -2.888 0.152 -9.538
74 HA VAL 14 HA VAL 14 -1.451 -0.803 -7.150
75 HB VAL 14 HB VAL 14 -1.747 -2.251 -9.785
76 HG11 VAL 14 1HG1 VAL 14 -0.520 -3.971 -8.028
77 HG12 VAL 14 2HG1 VAL 14 0.278 -3.080 -9.325
78 HG13 VAL 14 3HG1 VAL 14 0.267 -2.431 -7.685
79 HG21 VAL 14 3HG2 VAL 14 -2.649 -2.997 -7.003
80 HG22 VAL 14 1HG2 VAL 14 -3.692 -2.444 -8.313
81 HG23 VAL 14 2HG2 VAL 14 -2.840 -3.981 -8.454
82 H CYS 15 H CYS 15 0.624 -0.220 -7.018
83 HA CYS 15 HA CYS 15 1.740 1.551 -8.951
84 HB2 CYS 15 1HB CYS 15 2.431 2.009 -6.770
85 HB3 CYS 15 2HB CYS 15 2.723 0.312 -6.402
86 H ASP 16 H ASP 16 3.776 1.252 -10.067
87 HA ASP 16 HA ASP 16 4.056 -1.498 -11.052
88 HB2 ASP 16 1HB ASP 16 5.097 1.068 -12.270
89 HB3 ASP 16 2HB ASP 16 5.117 -0.528 -13.014
90 H TYR 17 H TYR 17 5.863 1.175 -9.658
91 HA TYR 17 HA TYR 17 8.459 0.289 -9.960
92 HB2 TYR 17 1HB TYR 17 7.565 2.456 -8.878
93 HB3 TYR 17 2HB TYR 17 7.514 1.525 -7.385
94 HD1 TYR 17 HD2 TYR 17 9.728 0.332 -6.708
95 HD2 TYR 17 HD1 TYR 17 9.521 3.556 -9.476
96 HE1 TYR 17 HE2 TYR 17 12.111 0.806 -6.326
97 HE2 TYR 17 HE1 TYR 17 11.903 4.038 -9.103
98 HH TYR 17 HH TYR 17 13.969 2.591 -8.300
99 H CYS 18 H CYS 18 6.571 -0.165 -6.967
100 HA CYS 18 HA CYS 18 8.191 -2.533 -6.376
101 HB2 CYS 18 1HB CYS 18 7.320 -2.333 -4.094
102 HB3 CYS 18 2HB CYS 18 8.042 -0.817 -4.624
103 H GLY 19 H GLY 19 4.792 -1.498 -6.519
104 HA2 GLY 19 1HA GLY 19 3.274 -3.034 -7.724
105 HA3 GLY 19 2HA GLY 19 4.062 -4.343 -6.855
106 H LYS 20 H LYS 20 3.437 -1.403 -5.160
107 HA LYS 20 HA LYS 20 1.819 -2.731 -3.234
108 HB2 LYS 20 1HB LYS 20 3.352 -0.767 -2.804
109 HB3 LYS 20 2HB LYS 20 2.144 0.251 -3.577
110 HG2 LYS 20 1HG LYS 20 1.492 0.523 -1.430
111 HG3 LYS 20 2HG LYS 20 0.572 -0.939 -1.794
112 HD2 LYS 20 1HD LYS 20 3.339 -1.320 -0.817
113 HD3 LYS 20 2HD LYS 20 2.165 -0.704 0.349
114 HE2 LYS 20 1HE LYS 20 0.945 -2.631 0.344
115 HE3 LYS 20 2HE LYS 20 1.356 -3.015 -1.327
116 HZ1 LYS 20 3HZ LYS 20 3.737 -3.210 -0.086
117 HZ2 LYS 20 1HZ LYS 20 2.709 -4.515 -0.406
118 HZ3 LYS 20 2HZ LYS 20 2.687 -3.774 1.114
119 H ALA 21 H ALA 21 -0.369 -2.321 -2.693
120 HA ALA 21 HA ALA 21 -1.992 -1.443 -4.990
121 HB1 ALA 21 3HB ALA 21 -3.336 -3.202 -4.695
122 HB2 ALA 21 1HB ALA 21 -2.048 -3.856 -3.681
123 HB3 ALA 21 2HB ALA 21 -3.390 -2.979 -2.946
124 H PHE 22 H PHE 22 -3.752 -0.086 -4.664
125 HA PHE 22 HA PHE 22 -4.210 0.970 -1.981
126 HB2 PHE 22 1HB PHE 22 -3.494 2.704 -4.355
127 HB3 PHE 22 2HB PHE 22 -4.070 3.306 -2.804
128 HD1 PHE 22 HD2 PHE 22 -2.672 2.884 -0.751
129 HD2 PHE 22 HD1 PHE 22 -1.232 2.219 -4.701
130 HE1 PHE 22 HE2 PHE 22 -0.359 2.938 0.086
131 HE2 PHE 22 HE1 PHE 22 1.083 2.271 -3.870
132 HZ PHE 22 HZ PHE 22 1.522 2.633 -1.474
133 H GLY 23 H GLY 23 -6.274 1.711 -1.632
134 HA2 GLY 23 1HA GLY 23 -8.201 1.044 -3.724
135 HA3 GLY 23 2HA GLY 23 -8.566 1.341 -2.030
136 H LEU 24 H LEU 24 -6.530 3.540 -3.782
137 HA LEU 24 HA LEU 24 -8.609 5.308 -4.621
138 HB2 LEU 24 1HB LEU 24 -8.777 5.754 -2.262
139 HB3 LEU 24 2HB LEU 24 -7.035 5.989 -2.144
140 HG LEU 24 HG LEU 24 -7.308 7.992 -3.642
141 HD11 LEU 24 1HD1 LEU 24 -10.044 8.500 -3.012
142 HD12 LEU 24 2HD1 LEU 24 -9.923 6.969 -3.879
143 HD13 LEU 24 3HD1 LEU 24 -9.259 8.440 -4.590
144 HD21 LEU 24 3HD2 LEU 24 -8.903 8.227 -1.105
145 HD22 LEU 24 1HD2 LEU 24 -7.859 9.430 -1.863
146 HD23 LEU 24 2HD2 LEU 24 -7.153 8.001 -1.106
147 H SER 25 H SER 25 -7.835 6.334 -6.335
148 HA SER 25 HA SER 25 -5.343 6.124 -7.392
149 HB2 SER 25 1HB SER 25 -7.243 7.087 -8.613
150 HB3 SER 25 2HB SER 25 -7.155 8.540 -7.618
151 HG SER 25 HG SER 25 -6.042 8.444 -9.803
152 H ALA 26 H ALA 26 -6.464 8.857 -5.400
153 HA ALA 26 HA ALA 26 -4.218 10.404 -5.320
154 HB1 ALA 26 3HB ALA 26 -5.816 9.851 -2.837
155 HB2 ALA 26 1HB ALA 26 -5.015 11.347 -3.318
156 HB3 ALA 26 2HB ALA 26 -6.454 10.799 -4.180
157 H GLU 27 H GLU 27 -4.918 7.660 -3.158
158 HA GLU 27 HA GLU 27 -2.592 7.755 -1.639
159 HB2 GLU 27 1HB GLU 27 -4.480 5.554 -2.389
160 HB3 GLU 27 2HB GLU 27 -3.006 5.169 -1.511
161 HG2 GLU 27 1HG GLU 27 -5.093 7.135 -0.596
162 HG3 GLU 27 2HG GLU 27 -4.960 5.465 -0.046
163 H LEU 28 H LEU 28 -3.219 6.042 -4.682
164 HA LEU 28 HA LEU 28 -0.722 4.773 -4.887
165 HB2 LEU 28 1HB LEU 28 -2.494 4.007 -6.254
166 HB3 LEU 28 2HB LEU 28 -2.751 5.609 -6.941
167 HG LEU 28 HG LEU 28 -0.517 5.393 -8.056
168 HD11 LEU 28 1HD1 LEU 28 0.063 2.834 -8.305
169 HD12 LEU 28 2HD1 LEU 28 -0.662 2.753 -6.699
170 HD13 LEU 28 3HD1 LEU 28 0.724 3.804 -6.988
171 HD21 LEU 28 3HD2 LEU 28 -1.608 4.677 -9.863
172 HD22 LEU 28 1HD2 LEU 28 -2.999 4.443 -8.804
173 HD23 LEU 28 2HD2 LEU 28 -1.917 3.093 -9.149
174 H VAL 29 H VAL 29 -1.880 7.740 -6.497
175 HA VAL 29 HA VAL 29 0.507 8.454 -7.728
176 HB VAL 29 HB VAL 29 -1.609 10.313 -6.633
177 HG11 VAL 29 1HG1 VAL 29 0.692 10.718 -8.512
178 HG12 VAL 29 2HG1 VAL 29 -0.743 11.743 -8.588
179 HG13 VAL 29 3HG1 VAL 29 0.219 11.679 -7.111
180 HG21 VAL 29 3HG2 VAL 29 -1.782 10.031 -9.435
181 HG22 VAL 29 1HG2 VAL 29 -1.678 8.406 -8.758
182 HG23 VAL 29 2HG2 VAL 29 -2.944 9.508 -8.216
183 H ARG 30 H ARG 30 -0.625 9.080 -4.450
184 HA ARG 30 HA ARG 30 1.603 10.774 -3.790
185 HB2 ARG 30 1HB ARG 30 -0.635 9.544 -2.198
186 HB3 ARG 30 2HB ARG 30 0.684 10.403 -1.414
187 HG2 ARG 30 1HG ARG 30 0.134 12.396 -2.780
188 HG3 ARG 30 2HG ARG 30 -1.260 11.523 -3.420
189 HD2 ARG 30 1HD ARG 30 -0.848 11.855 -0.468
190 HD3 ARG 30 2HD ARG 30 -1.615 13.117 -1.430
191 HE ARG 30 HE ARG 30 -2.773 10.507 -1.784
192 HH11 ARG 30 1HH1 ARG 30 -2.803 13.434 0.100
193 HH12 ARG 30 2HH1 ARG 30 -4.432 13.220 0.648
194 HH21 ARG 30 1HH2 ARG 30 -4.920 10.213 -1.069
195 HH22 ARG 30 2HH2 ARG 30 -5.635 11.387 -0.017
196 H HIS 31 H HIS 31 0.987 7.401 -3.835
197 HA HIS 31 HA HIS 31 2.898 6.648 -1.843
198 HB2 HIS 31 1HB HIS 31 1.359 4.963 -2.138
199 HB3 HIS 31 2HB HIS 31 1.249 5.221 -3.877
200 HD1 HIS 31 HD1 HIS 31 3.569 3.679 -1.312
201 HD2 HIS 31 HD2 HIS 31 2.765 3.521 -5.385
202 HE1 HIS 31 HE1 HIS 31 4.961 1.781 -2.199
203 H GLN 32 H GLN 32 2.906 6.737 -5.392
204 HA GLN 32 HA GLN 32 5.358 5.637 -5.933
205 HB2 GLN 32 1HB GLN 32 3.976 7.968 -7.262
206 HB3 GLN 32 2HB GLN 32 5.422 7.207 -7.912
207 HG2 GLN 32 1HG GLN 32 4.212 5.071 -8.046
208 HG3 GLN 32 2HG GLN 32 2.760 5.879 -7.457
209 HE21 GLN 32 1HE2 GLN 32 2.206 4.770 -9.643
210 HE22 GLN 32 2HE2 GLN 32 2.275 5.810 -11.020
211 H ARG 33 H ARG 33 4.700 8.541 -4.251
212 HA ARG 33 HA ARG 33 6.976 10.063 -4.766
213 HB2 ARG 33 1HB ARG 33 5.278 9.804 -2.286
214 HB3 ARG 33 2HB ARG 33 6.588 10.969 -2.425
215 HG2 ARG 33 1HG ARG 33 5.389 11.782 -4.535
216 HG3 ARG 33 2HG ARG 33 4.006 10.862 -3.937
217 HD2 ARG 33 1HD ARG 33 3.572 12.912 -3.010
218 HD3 ARG 33 2HD ARG 33 4.509 12.168 -1.715
219 HE ARG 33 HE ARG 33 6.215 13.658 -2.122
220 HH11 ARG 33 1HH1 ARG 33 3.865 13.823 -4.685
221 HH12 ARG 33 2HH1 ARG 33 4.544 15.252 -5.392
222 HH21 ARG 33 1HH2 ARG 33 7.118 15.539 -3.042
223 HH22 ARG 33 2HH2 ARG 33 6.394 16.227 -4.457
224 H ILE 34 H ILE 34 6.462 7.434 -2.458
225 HA ILE 34 HA ILE 34 8.849 7.598 -1.043
226 HB ILE 34 HB ILE 34 8.496 5.375 -0.333
227 HG12 ILE 34 1HG1 ILE 34 6.676 4.961 -2.714
228 HG13 ILE 34 2HG1 ILE 34 8.343 4.402 -2.627
229 HG21 ILE 34 1HG2 ILE 34 6.232 5.384 0.377
230 HG22 ILE 34 2HG2 ILE 34 6.734 7.070 0.255
231 HG23 ILE 34 3HG2 ILE 34 5.732 6.355 -1.008
232 HD11 ILE 34 3HD1 ILE 34 6.004 3.490 -0.984
233 HD12 ILE 34 1HD1 ILE 34 6.966 2.554 -2.127
234 HD13 ILE 34 2HD1 ILE 34 7.675 3.079 -0.600
235 H HIS 35 H HIS 35 8.297 6.675 -4.298
236 HA HIS 35 HA HIS 35 10.801 5.220 -4.540
237 HB2 HIS 35 1HB HIS 35 8.788 5.996 -6.661
238 HB3 HIS 35 2HB HIS 35 10.153 4.907 -6.885
239 HD1 HIS 35 HD1 HIS 35 9.885 3.080 -4.484
240 HD2 HIS 35 HD2 HIS 35 6.644 4.344 -6.755
241 HE1 HIS 35 HE1 HIS 35 8.086 1.365 -4.100
242 H THR 36 H THR 36 9.560 8.404 -5.029
243 HA THR 36 HA THR 36 12.036 9.190 -6.416
244 HB THR 36 HB THR 36 10.847 11.210 -7.142
245 HG1 THR 36 HG1 THR 36 8.460 11.102 -6.786
246 HG21 THR 36 3HG2 THR 36 9.563 8.558 -7.754
247 HG22 THR 36 1HG2 THR 36 10.747 9.448 -8.710
248 HG23 THR 36 2HG2 THR 36 9.092 10.044 -8.578
249 H GLY 37 H GLY 37 13.485 9.780 -4.907
250 HA2 GLY 37 1HA GLY 37 13.513 12.154 -3.609
251 HA3 GLY 37 2HA GLY 37 12.677 11.108 -2.471
252 H GLU 38 H GLU 38 14.303 11.249 -0.922
253 HA GLU 38 HA GLU 38 16.742 9.745 -1.595
254 HB2 GLU 38 1HB GLU 38 16.604 12.127 0.261
255 HB3 GLU 38 2HB GLU 38 18.042 11.194 -0.131
256 HG2 GLU 38 1HG GLU 38 17.494 11.881 -2.577
257 HG3 GLU 38 2HG GLU 38 16.541 13.149 -1.808
258 H LYS 39 H LYS 39 17.792 8.745 0.290
259 HA LYS 39 HA LYS 39 15.847 8.073 2.401
260 HB2 LYS 39 1HB LYS 39 16.956 5.819 2.468
261 HB3 LYS 39 2HB LYS 39 16.044 6.149 1.001
262 HG2 LYS 39 1HG LYS 39 18.336 6.916 0.056
263 HG3 LYS 39 2HG LYS 39 18.998 5.972 1.392
264 HD2 LYS 39 1HD LYS 39 17.454 4.092 0.542
265 HD3 LYS 39 2HD LYS 39 17.352 5.046 -0.940
266 HE2 LYS 39 1HE LYS 39 19.937 5.062 -0.817
267 HE3 LYS 39 2HE LYS 39 19.733 3.706 0.291
268 HZ1 LYS 39 3HZ LYS 39 19.184 2.339 -1.369
269 HZ2 LYS 39 1HZ LYS 39 19.872 3.499 -2.390
270 HZ3 LYS 39 2HZ LYS 39 18.200 3.479 -2.138
271 HA PRO 40 HA PRO 40 19.947 9.712 4.094
272 HB2 PRO 40 1HB PRO 40 18.941 11.937 5.279
273 HB3 PRO 40 2HB PRO 40 19.526 11.918 3.612
274 HG2 PRO 40 1HG PRO 40 16.719 11.743 4.636
275 HG3 PRO 40 2HG PRO 40 17.355 12.679 3.271
276 HD2 PRO 40 1HD PRO 40 16.061 10.323 2.944
277 HD3 PRO 40 2HD PRO 40 17.363 10.855 1.861
278 H SER 41 H SER 41 16.695 9.918 5.537
279 HA SER 41 HA SER 41 17.759 9.289 8.164
280 HB2 SER 41 1HB SER 41 14.914 9.772 7.246
281 HB3 SER 41 2HB SER 41 15.421 9.568 8.923
282 HG SER 41 HG SER 41 16.974 11.420 8.042
283 H GLY 42 H GLY 42 14.934 7.967 6.440
284 HA2 GLY 42 1HA GLY 42 15.953 5.258 6.913
285 HA3 GLY 42 2HA GLY 42 14.391 5.685 7.596
286 HA PRO 43 HA PRO 43 14.272 4.479 2.929
287 HB2 PRO 43 1HB PRO 43 14.039 1.778 3.072
288 HB3 PRO 43 2HB PRO 43 15.594 2.600 2.900
289 HG2 PRO 43 1HG PRO 43 14.300 1.492 5.361
290 HG3 PRO 43 2HG PRO 43 15.992 1.383 4.841
291 HD2 PRO 43 1HD PRO 43 15.152 3.157 6.707
292 HD3 PRO 43 2HD PRO 43 16.490 3.504 5.594
293 H SER 44 H SER 44 12.238 5.137 2.557
294 HA SER 44 HA SER 44 9.989 4.714 4.082
295 HB2 SER 44 1HB SER 44 10.279 6.269 2.075
296 HB3 SER 44 2HB SER 44 9.886 4.874 1.070
297 HG SER 44 HG SER 44 8.258 6.416 2.673
298 H SER 45 H SER 45 9.436 2.743 4.808
299 HA SER 45 HA SER 45 9.735 0.331 3.394
300 HB2 SER 45 1HB SER 45 9.446 0.613 5.901
301 HB3 SER 45 2HB SER 45 7.722 0.822 5.593
302 HG SER 45 HG SER 45 7.672 -1.275 5.669
303 H GLY 46 H GLY 46 8.195 -1.018 2.395
304 HA2 GLY 46 1HA GLY 46 6.606 -1.286 0.729
305 HA3 GLY 46 2HA GLY 46 5.538 -0.760 2.023
Start of MODEL 18
1 H1 GLY 1 H GLY 1 7.516 -19.376 4.729
2 HA2 GLY 1 1HA GLY 1 5.638 -20.363 3.556
3 HA3 GLY 1 2HA GLY 1 5.224 -21.207 5.041
4 H SER 2 H SER 2 3.189 -20.461 5.364
5 HA SER 2 HA SER 2 2.265 -17.874 4.895
6 HB2 SER 2 1HB SER 2 0.981 -20.080 5.484
7 HB3 SER 2 2HB SER 2 1.144 -19.511 7.146
8 HG SER 2 HG SER 2 -0.096 -18.160 4.981
9 H SER 3 H SER 3 2.091 -16.041 6.123
10 HA SER 3 HA SER 3 4.024 -15.729 8.230
11 HB2 SER 3 1HB SER 3 3.229 -13.359 8.245
12 HB3 SER 3 2HB SER 3 3.742 -13.916 6.652
13 HG SER 3 HG SER 3 1.785 -13.632 5.945
14 H GLY 4 H GLY 4 0.487 -15.310 8.013
15 HA2 GLY 4 1HA GLY 4 -0.241 -16.622 10.301
16 HA3 GLY 4 2HA GLY 4 0.207 -15.015 10.854
17 H SER 5 H SER 5 -1.205 -13.364 10.619
18 HA SER 5 HA SER 5 -3.906 -14.001 9.948
19 HB2 SER 5 1HB SER 5 -2.465 -11.559 10.901
20 HB3 SER 5 2HB SER 5 -4.083 -11.379 10.224
21 HG SER 5 HG SER 5 -4.411 -13.323 11.811
22 H SER 6 H SER 6 -4.131 -14.508 7.811
23 HA SER 6 HA SER 6 -2.958 -12.977 5.709
24 HB2 SER 6 1HB SER 6 -5.097 -15.109 5.748
25 HB3 SER 6 2HB SER 6 -4.548 -14.337 4.260
26 HG SER 6 HG SER 6 -2.702 -15.491 6.048
27 H GLY 7 H GLY 7 -3.575 -10.840 5.887
28 HA2 GLY 7 1HA GLY 7 -6.453 -10.315 5.464
29 HA3 GLY 7 2HA GLY 7 -5.415 -9.260 6.412
30 H SER 8 H SER 8 -5.178 -10.779 3.193
31 HA SER 8 HA SER 8 -4.441 -8.136 2.124
32 HB2 SER 8 1HB SER 8 -2.698 -9.898 1.927
33 HB3 SER 8 2HB SER 8 -3.816 -10.862 0.963
34 HG SER 8 HG SER 8 -2.496 -8.476 0.310
35 H GLY 9 H GLY 9 -5.650 -7.225 0.567
36 HA2 GLY 9 1HA GLY 9 -7.910 -8.816 -0.472
37 HA3 GLY 9 2HA GLY 9 -7.958 -7.080 -0.206
38 H GLU 10 H GLU 10 -8.103 -6.076 -2.094
39 HA GLU 10 HA GLU 10 -6.052 -6.302 -4.050
40 HB2 GLU 10 1HB GLU 10 -7.370 -7.143 -5.911
41 HB3 GLU 10 2HB GLU 10 -7.331 -8.330 -4.615
42 HG2 GLU 10 1HG GLU 10 -9.573 -7.339 -3.890
43 HG3 GLU 10 2HG GLU 10 -9.598 -6.574 -5.478
44 H LYS 11 H LYS 11 -6.090 -4.618 -5.535
45 HA LYS 11 HA LYS 11 -8.390 -2.832 -5.578
46 HB2 LYS 11 1HB LYS 11 -5.634 -1.856 -4.806
47 HB3 LYS 11 2HB LYS 11 -7.068 -0.859 -5.016
48 HG2 LYS 11 1HG LYS 11 -6.930 -3.066 -2.986
49 HG3 LYS 11 2HG LYS 11 -6.399 -1.418 -2.641
50 HD2 LYS 11 1HD LYS 11 -8.668 -0.629 -3.336
51 HD3 LYS 11 2HD LYS 11 -9.161 -2.320 -3.450
52 HE2 LYS 11 1HE LYS 11 -7.886 -1.395 -0.929
53 HE3 LYS 11 2HE LYS 11 -9.544 -0.892 -1.252
54 HZ1 LYS 11 3HZ LYS 11 -8.687 -3.321 -0.232
55 HZ2 LYS 11 1HZ LYS 11 -9.254 -3.648 -1.792
56 HZ3 LYS 11 2HZ LYS 11 -10.263 -2.888 -0.667
57 HA PRO 12 HA PRO 12 -7.232 -2.372 -9.793
58 HB2 PRO 12 1HB PRO 12 -8.341 0.047 -10.333
59 HB3 PRO 12 2HB PRO 12 -9.299 -1.423 -10.116
60 HG2 PRO 12 1HG PRO 12 -8.739 0.779 -8.167
61 HG3 PRO 12 2HG PRO 12 -10.264 -0.066 -8.492
62 HD2 PRO 12 1HD PRO 12 -8.693 -0.660 -6.367
63 HD3 PRO 12 2HD PRO 12 -9.680 -1.881 -7.197
64 H TYR 13 H TYR 13 -6.331 0.022 -7.434
65 HA TYR 13 HA TYR 13 -4.401 1.233 -9.275
66 HB2 TYR 13 1HB TYR 13 -5.146 2.060 -6.462
67 HB3 TYR 13 2HB TYR 13 -4.121 2.961 -7.574
68 HD1 TYR 13 HD1 TYR 13 -5.088 4.148 -9.474
69 HD2 TYR 13 HD2 TYR 13 -7.552 2.034 -6.725
70 HE1 TYR 13 HE1 TYR 13 -7.063 5.320 -10.353
71 HE2 TYR 13 HE2 TYR 13 -9.535 3.199 -7.597
72 HH TYR 13 HH TYR 13 -9.765 5.698 -8.920
73 H VAL 14 H VAL 14 -2.913 -0.483 -9.369
74 HA VAL 14 HA VAL 14 -1.472 -1.044 -6.862
75 HB VAL 14 HB VAL 14 -1.558 -2.665 -9.410
76 HG11 VAL 14 1HG1 VAL 14 0.385 -3.512 -8.727
77 HG12 VAL 14 2HG1 VAL 14 0.298 -2.652 -7.189
78 HG13 VAL 14 3HG1 VAL 14 -0.494 -4.217 -7.371
79 HG21 VAL 14 3HG2 VAL 14 -2.780 -3.110 -6.690
80 HG22 VAL 14 1HG2 VAL 14 -3.626 -2.874 -8.219
81 HG23 VAL 14 2HG2 VAL 14 -2.688 -4.342 -7.948
82 H CYS 15 H CYS 15 0.355 0.052 -6.642
83 HA CYS 15 HA CYS 15 1.608 1.667 -8.439
84 HB2 CYS 15 1HB CYS 15 2.191 1.600 -6.060
85 HB3 CYS 15 2HB CYS 15 2.944 0.023 -6.278
86 H ASP 16 H ASP 16 3.504 1.490 -9.738
87 HA ASP 16 HA ASP 16 3.836 -1.196 -10.894
88 HB2 ASP 16 1HB ASP 16 4.675 1.366 -12.232
89 HB3 ASP 16 2HB ASP 16 4.331 -0.197 -12.968
90 H TYR 17 H TYR 17 5.493 1.482 -9.421
91 HA TYR 17 HA TYR 17 8.131 0.875 -10.142
92 HB2 TYR 17 1HB TYR 17 7.129 2.932 -8.876
93 HB3 TYR 17 2HB TYR 17 7.467 1.981 -7.434
94 HD1 TYR 17 HD2 TYR 17 9.942 0.918 -7.452
95 HD2 TYR 17 HD1 TYR 17 8.748 4.430 -9.536
96 HE1 TYR 17 HE2 TYR 17 12.279 1.684 -7.489
97 HE2 TYR 17 HE1 TYR 17 11.081 5.205 -9.580
98 HH TYR 17 HH TYR 17 13.212 4.656 -9.172
99 H CYS 18 H CYS 18 6.297 -0.056 -7.234
100 HA CYS 18 HA CYS 18 8.238 -2.237 -6.824
101 HB2 CYS 18 1HB CYS 18 7.753 -2.111 -4.435
102 HB3 CYS 18 2HB CYS 18 8.302 -0.548 -5.029
103 H GLY 19 H GLY 19 4.833 -1.289 -6.552
104 HA2 GLY 19 1HA GLY 19 3.131 -2.768 -7.427
105 HA3 GLY 19 2HA GLY 19 4.123 -4.127 -6.921
106 H LYS 20 H LYS 20 1.996 -1.560 -5.825
107 HA LYS 20 HA LYS 20 1.322 -3.190 -3.493
108 HB2 LYS 20 1HB LYS 20 3.043 -1.450 -2.853
109 HB3 LYS 20 2HB LYS 20 1.843 -0.226 -3.249
110 HG2 LYS 20 1HG LYS 20 0.575 -0.672 -1.412
111 HG3 LYS 20 2HG LYS 20 1.058 -2.369 -1.352
112 HD2 LYS 20 1HD LYS 20 2.130 -1.452 0.496
113 HD3 LYS 20 2HD LYS 20 3.392 -1.442 -0.738
114 HE2 LYS 20 1HE LYS 20 3.558 0.682 0.170
115 HE3 LYS 20 2HE LYS 20 2.538 0.950 -1.243
116 HZ1 LYS 20 3HZ LYS 20 0.742 1.399 0.026
117 HZ2 LYS 20 1HZ LYS 20 1.915 1.840 1.162
118 HZ3 LYS 20 2HZ LYS 20 1.177 0.322 1.255
119 H ALA 21 H ALA 21 -0.810 -3.269 -3.121
120 HA ALA 21 HA ALA 21 -2.583 -1.842 -4.893
121 HB1 ALA 21 3HB ALA 21 -2.695 -4.230 -3.323
122 HB2 ALA 21 1HB ALA 21 -4.089 -3.215 -2.955
123 HB3 ALA 21 2HB ALA 21 -3.765 -3.699 -4.620
124 H PHE 22 H PHE 22 -4.105 -0.311 -4.347
125 HA PHE 22 HA PHE 22 -4.049 0.717 -1.595
126 HB2 PHE 22 1HB PHE 22 -3.754 2.316 -4.139
127 HB3 PHE 22 2HB PHE 22 -4.177 3.042 -2.592
128 HD1 PHE 22 HD2 PHE 22 -2.557 3.080 -0.754
129 HD2 PHE 22 HD1 PHE 22 -1.532 1.586 -4.606
130 HE1 PHE 22 HE2 PHE 22 -0.170 3.247 -0.181
131 HE2 PHE 22 HE1 PHE 22 0.856 1.750 -4.038
132 HZ PHE 22 HZ PHE 22 1.540 2.583 -1.824
133 H GLY 23 H GLY 23 -5.665 1.735 -4.600
134 HA2 GLY 23 1HA GLY 23 -8.022 0.929 -4.893
135 HA3 GLY 23 2HA GLY 23 -8.240 1.355 -3.202
136 H LEU 24 H LEU 24 -6.590 3.785 -3.475
137 HA LEU 24 HA LEU 24 -8.494 5.431 -5.007
138 HB2 LEU 24 1HB LEU 24 -7.333 5.763 -2.290
139 HB3 LEU 24 2HB LEU 24 -7.641 7.210 -3.248
140 HG LEU 24 HG LEU 24 -9.501 6.856 -1.789
141 HD11 LEU 24 1HD1 LEU 24 -9.710 7.045 -4.550
142 HD12 LEU 24 2HD1 LEU 24 -10.960 7.424 -3.366
143 HD13 LEU 24 3HD1 LEU 24 -10.897 5.821 -4.098
144 HD21 LEU 24 3HD2 LEU 24 -10.553 4.870 -1.390
145 HD22 LEU 24 1HD2 LEU 24 -8.932 4.277 -1.751
146 HD23 LEU 24 2HD2 LEU 24 -10.186 4.224 -2.990
147 H SER 25 H SER 25 -7.520 6.158 -6.777
148 HA SER 25 HA SER 25 -4.975 6.166 -7.563
149 HB2 SER 25 1HB SER 25 -6.850 7.054 -8.921
150 HB3 SER 25 2HB SER 25 -6.805 8.544 -7.978
151 HG SER 25 HG SER 25 -5.122 9.177 -9.074
152 H ALA 26 H ALA 26 -6.379 8.849 -5.688
153 HA ALA 26 HA ALA 26 -4.188 10.477 -5.437
154 HB1 ALA 26 3HB ALA 26 -5.811 11.552 -4.350
155 HB2 ALA 26 1HB ALA 26 -6.650 10.052 -3.954
156 HB3 ALA 26 2HB ALA 26 -5.331 10.622 -2.931
157 H GLU 27 H GLU 27 -5.115 7.989 -3.047
158 HA GLU 27 HA GLU 27 -2.911 8.128 -1.413
159 HB2 GLU 27 1HB GLU 27 -4.649 5.797 -2.189
160 HB3 GLU 27 2HB GLU 27 -3.345 5.624 -1.023
161 HG2 GLU 27 1HG GLU 27 -5.322 7.801 -0.611
162 HG3 GLU 27 2HG GLU 27 -5.813 6.142 -0.275
163 H LEU 28 H LEU 28 -3.300 6.099 -4.307
164 HA LEU 28 HA LEU 28 -0.837 4.814 -4.239
165 HB2 LEU 28 1HB LEU 28 -2.390 3.996 -5.773
166 HB3 LEU 28 2HB LEU 28 -2.682 5.589 -6.467
167 HG LEU 28 HG LEU 28 -0.411 5.503 -7.477
168 HD11 LEU 28 1HD1 LEU 28 0.705 3.981 -6.015
169 HD12 LEU 28 2HD1 LEU 28 0.656 3.254 -7.620
170 HD13 LEU 28 3HD1 LEU 28 -0.458 2.703 -6.369
171 HD21 LEU 28 3HD2 LEU 28 -2.230 3.213 -8.219
172 HD22 LEU 28 1HD2 LEU 28 -1.007 3.954 -9.251
173 HD23 LEU 28 2HD2 LEU 28 -2.417 4.886 -8.748
174 H VAL 29 H VAL 29 -1.719 7.895 -5.769
175 HA VAL 29 HA VAL 29 0.694 8.491 -6.998
176 HB VAL 29 HB VAL 29 -1.228 10.422 -5.692
177 HG11 VAL 29 1HG1 VAL 29 1.256 11.059 -6.469
178 HG12 VAL 29 2HG1 VAL 29 0.416 11.227 -8.012
179 HG13 VAL 29 3HG1 VAL 29 -0.112 12.162 -6.612
180 HG21 VAL 29 3HG2 VAL 29 -2.455 10.447 -7.638
181 HG22 VAL 29 1HG2 VAL 29 -1.104 9.887 -8.624
182 HG23 VAL 29 2HG2 VAL 29 -1.961 8.755 -7.578
183 H ARG 30 H ARG 30 -0.381 9.509 -3.752
184 HA ARG 30 HA ARG 30 1.943 10.807 -2.969
185 HB2 ARG 30 1HB ARG 30 -0.075 9.278 -1.322
186 HB3 ARG 30 2HB ARG 30 1.198 10.272 -0.625
187 HG2 ARG 30 1HG ARG 30 0.277 12.228 -1.811
188 HG3 ARG 30 2HG ARG 30 -1.037 11.213 -2.410
189 HD2 ARG 30 1HD ARG 30 -1.828 10.816 -0.183
190 HD3 ARG 30 2HD ARG 30 -0.420 11.620 0.511
191 HE ARG 30 HE ARG 30 -2.799 12.862 -0.464
192 HH11 ARG 30 1HH1 ARG 30 0.629 13.298 -0.038
193 HH12 ARG 30 2HH1 ARG 30 0.533 15.026 0.025
194 HH21 ARG 30 1HH2 ARG 30 -2.938 15.137 -0.383
195 HH22 ARG 30 2HH2 ARG 30 -1.496 16.072 -0.171
196 H HIS 31 H HIS 31 1.374 7.464 -3.431
197 HA HIS 31 HA HIS 31 3.592 6.625 -1.749
198 HB2 HIS 31 1HB HIS 31 1.894 5.039 -1.666
199 HB3 HIS 31 2HB HIS 31 1.513 5.208 -3.377
200 HD1 HIS 31 HD1 HIS 31 4.082 3.643 -1.094
201 HD2 HIS 31 HD2 HIS 31 2.790 3.432 -5.037
202 HE1 HIS 31 HE1 HIS 31 5.268 1.659 -2.085
203 H GLN 32 H GLN 32 2.735 6.335 -5.201
204 HA GLN 32 HA GLN 32 5.049 5.291 -6.199
205 HB2 GLN 32 1HB GLN 32 3.043 7.202 -7.305
206 HB3 GLN 32 2HB GLN 32 4.516 6.913 -8.222
207 HG2 GLN 32 1HG GLN 32 3.009 4.554 -7.248
208 HG3 GLN 32 2HG GLN 32 2.325 5.482 -8.582
209 HE21 GLN 32 1HE2 GLN 32 2.615 3.698 -9.959
210 HE22 GLN 32 2HE2 GLN 32 4.171 3.294 -10.591
211 H ARG 33 H ARG 33 4.595 8.418 -4.830
212 HA ARG 33 HA ARG 33 6.881 9.656 -6.027
213 HB2 ARG 33 1HB ARG 33 6.315 11.535 -4.830
214 HB3 ARG 33 2HB ARG 33 4.761 10.713 -4.878
215 HG2 ARG 33 1HG ARG 33 5.366 9.724 -2.629
216 HG3 ARG 33 2HG ARG 33 6.702 10.877 -2.595
217 HD2 ARG 33 1HD ARG 33 3.978 11.900 -3.202
218 HD3 ARG 33 2HD ARG 33 4.338 11.436 -1.539
219 HE ARG 33 HE ARG 33 6.423 13.021 -2.184
220 HH11 ARG 33 1HH1 ARG 33 2.974 13.416 -2.441
221 HH12 ARG 33 2HH1 ARG 33 3.025 15.135 -2.237
222 HH21 ARG 33 1HH2 ARG 33 6.503 15.284 -1.914
223 HH22 ARG 33 2HH2 ARG 33 5.032 16.197 -1.939
224 H ILE 34 H ILE 34 6.244 7.901 -3.047
225 HA ILE 34 HA ILE 34 8.487 8.469 -1.561
226 HB ILE 34 HB ILE 34 8.170 6.442 -0.395
227 HG12 ILE 34 1HG1 ILE 34 6.458 4.765 -1.623
228 HG13 ILE 34 2HG1 ILE 34 7.246 5.455 -3.038
229 HG21 ILE 34 1HG2 ILE 34 6.227 7.209 0.351
230 HG22 ILE 34 2HG2 ILE 34 5.936 8.029 -1.182
231 HG23 ILE 34 3HG2 ILE 34 5.406 6.362 -0.959
232 HD11 ILE 34 3HD1 ILE 34 9.234 4.468 -2.581
233 HD12 ILE 34 1HD1 ILE 34 8.979 4.501 -0.836
234 HD13 ILE 34 2HD1 ILE 34 8.158 3.293 -1.825
235 H HIS 35 H HIS 35 8.233 6.562 -4.457
236 HA HIS 35 HA HIS 35 10.741 5.225 -4.204
237 HB2 HIS 35 1HB HIS 35 9.112 5.781 -6.693
238 HB3 HIS 35 2HB HIS 35 10.424 4.613 -6.554
239 HD1 HIS 35 HD1 HIS 35 9.798 2.953 -4.228
240 HD2 HIS 35 HD2 HIS 35 6.788 4.426 -6.684
241 HE1 HIS 35 HE1 HIS 35 7.825 1.439 -3.855
242 H THR 36 H THR 36 9.714 8.317 -5.428
243 HA THR 36 HA THR 36 12.523 8.988 -5.962
244 HB THR 36 HB THR 36 11.552 8.603 -8.148
245 HG1 THR 36 HG1 THR 36 11.905 11.346 -7.471
246 HG21 THR 36 3HG2 THR 36 9.174 9.197 -7.195
247 HG22 THR 36 1HG2 THR 36 9.546 9.448 -8.900
248 HG23 THR 36 2HG2 THR 36 9.577 10.810 -7.781
249 H GLY 37 H GLY 37 12.990 10.462 -4.457
250 HA2 GLY 37 1HA GLY 37 12.723 12.922 -4.100
251 HA3 GLY 37 2HA GLY 37 11.003 12.592 -3.953
252 H GLU 38 H GLU 38 14.150 11.898 -2.480
253 HA GLU 38 HA GLU 38 12.832 11.173 0.023
254 HB2 GLU 38 1HB GLU 38 15.011 10.432 0.771
255 HB3 GLU 38 2HB GLU 38 14.684 9.766 -0.823
256 HG2 GLU 38 1HG GLU 38 16.130 11.381 -1.855
257 HG3 GLU 38 2HG GLU 38 16.365 12.209 -0.316
258 H LYS 39 H LYS 39 13.283 12.213 1.997
259 HA LYS 39 HA LYS 39 13.775 15.056 1.715
260 HB2 LYS 39 1HB LYS 39 12.856 13.318 3.998
261 HB3 LYS 39 2HB LYS 39 13.243 15.019 4.221
262 HG2 LYS 39 1HG LYS 39 11.000 15.167 3.875
263 HG3 LYS 39 2HG LYS 39 11.570 15.317 2.211
264 HD2 LYS 39 1HD LYS 39 11.122 12.989 1.794
265 HD3 LYS 39 2HD LYS 39 10.718 12.722 3.492
266 HE2 LYS 39 1HE LYS 39 8.832 14.307 3.244
267 HE3 LYS 39 2HE LYS 39 9.211 14.447 1.528
268 HZ1 LYS 39 3HZ LYS 39 9.020 11.806 1.782
269 HZ2 LYS 39 1HZ LYS 39 7.713 12.798 1.368
270 HZ3 LYS 39 2HZ LYS 39 7.914 12.288 2.968
271 HA PRO 40 HA PRO 40 17.988 14.974 2.985
272 HB2 PRO 40 1HB PRO 40 18.200 17.502 3.954
273 HB3 PRO 40 2HB PRO 40 18.104 17.140 2.226
274 HG2 PRO 40 1HG PRO 40 15.948 18.048 4.095
275 HG3 PRO 40 2HG PRO 40 16.294 18.584 2.440
276 HD2 PRO 40 1HD PRO 40 14.327 16.815 3.018
277 HD3 PRO 40 2HD PRO 40 15.240 16.764 1.497
278 H SER 41 H SER 41 17.760 13.431 4.692
279 HA SER 41 HA SER 41 16.846 14.071 7.281
280 HB2 SER 41 1HB SER 41 17.800 11.971 7.969
281 HB3 SER 41 2HB SER 41 17.131 11.750 6.352
282 HG SER 41 HG SER 41 19.851 12.389 6.808
283 H GLY 42 H GLY 42 17.957 14.573 9.176
284 HA2 GLY 42 1HA GLY 42 19.840 15.148 10.466
285 HA3 GLY 42 2HA GLY 42 20.808 15.177 8.999
286 HA PRO 43 HA PRO 43 19.394 19.505 10.426
287 HB2 PRO 43 1HB PRO 43 21.710 20.339 11.572
288 HB3 PRO 43 2HB PRO 43 20.424 19.535 12.480
289 HG2 PRO 43 1HG PRO 43 22.960 18.393 11.371
290 HG3 PRO 43 2HG PRO 43 22.203 18.113 12.950
291 HD2 PRO 43 1HD PRO 43 21.982 16.362 10.897
292 HD3 PRO 43 2HD PRO 43 20.695 16.593 12.099
293 H SER 44 H SER 44 21.477 17.987 8.378
294 HA SER 44 HA SER 44 23.347 19.595 7.372
295 HB2 SER 44 1HB SER 44 22.919 18.720 5.171
296 HB3 SER 44 2HB SER 44 22.526 17.454 6.335
297 HG SER 44 HG SER 44 20.958 17.915 4.571
298 H SER 45 H SER 45 23.559 21.600 6.616
299 HA SER 45 HA SER 45 21.278 23.343 6.544
300 HB2 SER 45 1HB SER 45 22.944 25.098 5.984
301 HB3 SER 45 2HB SER 45 23.395 24.172 7.416
302 HG SER 45 HG SER 45 24.338 23.215 4.991
303 H GLY 46 H GLY 46 19.925 23.046 4.862
304 HA2 GLY 46 1HA GLY 46 20.474 24.042 2.340
305 HA3 GLY 46 2HA GLY 46 20.780 22.314 2.247
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.698 -13.001 8.616
2 HA2 GLY 1 1HA GLY 1 -0.866 -13.906 9.108
3 HA3 GLY 1 2HA GLY 1 -0.721 -12.397 9.997
4 H SER 2 H SER 2 -0.085 -13.740 6.760
5 HA SER 2 HA SER 2 -1.169 -11.246 5.631
6 HB2 SER 2 1HB SER 2 0.492 -11.281 3.874
7 HB3 SER 2 2HB SER 2 1.323 -11.348 5.428
8 HG SER 2 HG SER 2 1.020 -13.806 4.912
9 H SER 3 H SER 3 -2.888 -11.598 4.407
10 HA SER 3 HA SER 3 -3.036 -13.621 2.434
11 HB2 SER 3 1HB SER 3 -4.267 -14.179 5.091
12 HB3 SER 3 2HB SER 3 -5.180 -14.640 3.654
13 HG SER 3 HG SER 3 -2.631 -15.523 4.489
14 H GLY 4 H GLY 4 -5.222 -13.681 1.388
15 HA2 GLY 4 1HA GLY 4 -6.221 -10.970 1.199
16 HA3 GLY 4 2HA GLY 4 -6.679 -12.328 0.180
17 H SER 5 H SER 5 -6.789 -12.257 3.702
18 HA SER 5 HA SER 5 -9.242 -13.428 4.006
19 HB2 SER 5 1HB SER 5 -9.333 -12.336 6.246
20 HB3 SER 5 2HB SER 5 -7.767 -13.068 5.899
21 HG SER 5 HG SER 5 -7.326 -10.773 5.070
22 H SER 6 H SER 6 -8.594 -9.931 3.879
23 HA SER 6 HA SER 6 -11.130 -8.945 4.227
24 HB2 SER 6 1HB SER 6 -8.904 -7.960 2.439
25 HB3 SER 6 2HB SER 6 -10.389 -7.047 2.705
26 HG SER 6 HG SER 6 -8.694 -6.445 4.144
27 H GLY 7 H GLY 7 -12.919 -8.582 2.963
28 HA2 GLY 7 1HA GLY 7 -13.470 -10.430 0.907
29 HA3 GLY 7 2HA GLY 7 -14.458 -9.037 1.322
30 H SER 8 H SER 8 -13.752 -6.928 0.444
31 HA SER 8 HA SER 8 -13.365 -7.098 -2.345
32 HB2 SER 8 1HB SER 8 -13.296 -4.650 -2.299
33 HB3 SER 8 2HB SER 8 -14.588 -5.248 -1.257
34 HG SER 8 HG SER 8 -13.374 -4.778 0.521
35 H GLY 9 H GLY 9 -11.560 -7.361 -3.471
36 HA2 GLY 9 1HA GLY 9 -9.049 -6.256 -2.421
37 HA3 GLY 9 2HA GLY 9 -9.109 -7.963 -2.836
38 H GLU 10 H GLU 10 -7.361 -7.423 -4.320
39 HA GLU 10 HA GLU 10 -6.498 -6.909 -6.367
40 HB2 GLU 10 1HB GLU 10 -9.356 -7.440 -7.198
41 HB3 GLU 10 2HB GLU 10 -7.980 -7.378 -8.289
42 HG2 GLU 10 1HG GLU 10 -7.035 -9.334 -7.364
43 HG3 GLU 10 2HG GLU 10 -8.145 -9.307 -5.995
44 H LYS 11 H LYS 11 -6.912 -4.649 -4.980
45 HA LYS 11 HA LYS 11 -8.581 -2.682 -5.900
46 HB2 LYS 11 1HB LYS 11 -5.672 -2.297 -5.172
47 HB3 LYS 11 2HB LYS 11 -6.924 -1.063 -5.144
48 HG2 LYS 11 1HG LYS 11 -6.971 -3.541 -3.438
49 HG3 LYS 11 2HG LYS 11 -6.323 -1.985 -2.912
50 HD2 LYS 11 1HD LYS 11 -8.450 -1.779 -2.117
51 HD3 LYS 11 2HD LYS 11 -8.698 -1.142 -3.744
52 HE2 LYS 11 1HE LYS 11 -10.411 -2.642 -3.674
53 HE3 LYS 11 2HE LYS 11 -9.137 -3.701 -4.274
54 HZ1 LYS 11 3HZ LYS 11 -10.091 -3.469 -1.474
55 HZ2 LYS 11 1HZ LYS 11 -8.732 -4.364 -1.938
56 HZ3 LYS 11 2HZ LYS 11 -10.265 -4.799 -2.504
57 HA PRO 12 HA PRO 12 -7.505 -1.912 -10.098
58 HB2 PRO 12 1HB PRO 12 -8.412 0.638 -10.317
59 HB3 PRO 12 2HB PRO 12 -9.489 -0.761 -10.239
60 HG2 PRO 12 1HG PRO 12 -8.693 1.139 -8.068
61 HG3 PRO 12 2HG PRO 12 -10.293 0.469 -8.437
62 HD2 PRO 12 1HD PRO 12 -8.731 -0.502 -6.450
63 HD3 PRO 12 2HD PRO 12 -9.839 -1.529 -7.382
64 H TYR 13 H TYR 13 -6.605 0.515 -7.676
65 HA TYR 13 HA TYR 13 -4.451 1.487 -9.388
66 HB2 TYR 13 1HB TYR 13 -5.174 2.452 -6.620
67 HB3 TYR 13 2HB TYR 13 -4.211 3.290 -7.832
68 HD1 TYR 13 HD1 TYR 13 -5.313 4.242 -9.842
69 HD2 TYR 13 HD2 TYR 13 -7.558 2.558 -6.644
70 HE1 TYR 13 HE1 TYR 13 -7.333 5.374 -10.672
71 HE2 TYR 13 HE2 TYR 13 -9.584 3.684 -7.465
72 HH TYR 13 HH TYR 13 -9.504 6.142 -9.794
73 H VAL 14 H VAL 14 -2.872 -0.048 -9.388
74 HA VAL 14 HA VAL 14 -1.632 -0.637 -6.780
75 HB VAL 14 HB VAL 14 -2.674 -2.673 -7.528
76 HG11 VAL 14 1HG1 VAL 14 -2.179 -3.696 -9.679
77 HG12 VAL 14 2HG1 VAL 14 -2.881 -2.092 -9.903
78 HG13 VAL 14 3HG1 VAL 14 -1.145 -2.334 -10.106
79 HG21 VAL 14 3HG2 VAL 14 0.220 -2.387 -7.380
80 HG22 VAL 14 1HG2 VAL 14 -0.844 -3.559 -6.603
81 HG23 VAL 14 2HG2 VAL 14 -0.285 -3.833 -8.253
82 H CYS 15 H CYS 15 0.353 0.151 -6.633
83 HA CYS 15 HA CYS 15 1.723 1.383 -8.742
84 HB2 CYS 15 1HB CYS 15 2.145 1.954 -6.406
85 HB3 CYS 15 2HB CYS 15 2.793 0.344 -6.109
86 H ASP 16 H ASP 16 3.192 0.701 -10.196
87 HA ASP 16 HA ASP 16 3.625 -2.168 -10.415
88 HB2 ASP 16 1HB ASP 16 2.941 -0.633 -12.356
89 HB3 ASP 16 2HB ASP 16 4.611 -0.074 -12.343
90 H TYR 17 H TYR 17 5.413 0.773 -9.782
91 HA TYR 17 HA TYR 17 8.016 -0.011 -10.178
92 HB2 TYR 17 1HB TYR 17 7.051 2.239 -9.322
93 HB3 TYR 17 2HB TYR 17 7.251 1.540 -7.719
94 HD1 TYR 17 HD2 TYR 17 9.744 0.192 -7.726
95 HD2 TYR 17 HD1 TYR 17 8.702 3.786 -9.751
96 HE1 TYR 17 HE2 TYR 17 12.107 0.875 -7.719
97 HE2 TYR 17 HE1 TYR 17 11.062 4.478 -9.751
98 HH TYR 17 HH TYR 17 13.576 2.432 -8.291
99 H CYS 18 H CYS 18 6.208 -0.324 -7.117
100 HA CYS 18 HA CYS 18 8.161 -2.331 -6.238
101 HB2 CYS 18 1HB CYS 18 7.215 -1.975 -3.984
102 HB3 CYS 18 2HB CYS 18 7.823 -0.481 -4.691
103 H GLY 19 H GLY 19 4.652 -1.780 -6.430
104 HA2 GLY 19 1HA GLY 19 3.322 -3.612 -7.396
105 HA3 GLY 19 2HA GLY 19 4.313 -4.715 -6.453
106 H LYS 20 H LYS 20 2.913 -1.658 -5.372
107 HA LYS 20 HA LYS 20 1.553 -3.117 -3.230
108 HB2 LYS 20 1HB LYS 20 2.559 -0.340 -3.579
109 HB3 LYS 20 2HB LYS 20 1.151 -0.563 -2.549
110 HG2 LYS 20 1HG LYS 20 2.402 -2.150 -1.178
111 HG3 LYS 20 2HG LYS 20 3.815 -1.930 -2.213
112 HD2 LYS 20 1HD LYS 20 4.327 -0.443 -0.558
113 HD3 LYS 20 2HD LYS 20 3.396 0.617 -1.618
114 HE2 LYS 20 1HE LYS 20 1.368 -0.154 -0.213
115 HE3 LYS 20 2HE LYS 20 2.578 -0.675 0.959
116 HZ1 LYS 20 3HZ LYS 20 1.587 1.918 0.491
117 HZ2 LYS 20 1HZ LYS 20 3.250 1.906 0.178
118 HZ3 LYS 20 2HZ LYS 20 2.669 1.400 1.683
119 H ALA 21 H ALA 21 -0.642 -2.868 -2.788
120 HA ALA 21 HA ALA 21 -2.242 -2.040 -5.097
121 HB1 ALA 21 3HB ALA 21 -3.176 -3.564 -2.674
122 HB2 ALA 21 1HB ALA 21 -3.998 -3.391 -4.225
123 HB3 ALA 21 2HB ALA 21 -2.509 -4.330 -4.116
124 H PHE 22 H PHE 22 -3.844 -0.512 -4.983
125 HA PHE 22 HA PHE 22 -4.383 0.788 -2.427
126 HB2 PHE 22 1HB PHE 22 -3.569 2.396 -4.852
127 HB3 PHE 22 2HB PHE 22 -3.893 3.000 -3.231
128 HD1 PHE 22 HD1 PHE 22 -1.500 1.234 -5.362
129 HD2 PHE 22 HD2 PHE 22 -2.260 2.794 -1.476
130 HE1 PHE 22 HE1 PHE 22 0.885 0.999 -4.805
131 HE2 PHE 22 HE2 PHE 22 0.123 2.563 -0.913
132 HZ PHE 22 HZ PHE 22 1.700 1.666 -2.579
133 H GLY 23 H GLY 23 -6.440 1.512 -2.237
134 HA2 GLY 23 1HA GLY 23 -8.268 0.859 -4.394
135 HA3 GLY 23 2HA GLY 23 -8.706 1.363 -2.768
136 H LEU 24 H LEU 24 -6.890 3.715 -2.950
137 HA LEU 24 HA LEU 24 -8.672 5.399 -4.573
138 HB2 LEU 24 1HB LEU 24 -7.084 5.911 -2.084
139 HB3 LEU 24 2HB LEU 24 -7.625 7.243 -3.103
140 HG LEU 24 HG LEU 24 -9.501 5.224 -1.887
141 HD11 LEU 24 1HD1 LEU 24 -9.926 6.715 -0.108
142 HD12 LEU 24 2HD1 LEU 24 -8.955 7.990 -0.844
143 HD13 LEU 24 3HD1 LEU 24 -8.172 6.549 -0.196
144 HD21 LEU 24 3HD2 LEU 24 -10.114 8.005 -2.835
145 HD22 LEU 24 1HD2 LEU 24 -11.223 6.666 -2.538
146 HD23 LEU 24 2HD2 LEU 24 -10.142 6.622 -3.931
147 H SER 25 H SER 25 -7.891 6.463 -6.276
148 HA SER 25 HA SER 25 -5.436 5.968 -7.417
149 HB2 SER 25 1HB SER 25 -7.206 6.938 -8.730
150 HB3 SER 25 2HB SER 25 -7.231 8.384 -7.721
151 HG SER 25 HG SER 25 -4.814 7.718 -8.931
152 H ALA 26 H ALA 26 -6.356 8.845 -5.529
153 HA ALA 26 HA ALA 26 -3.937 10.187 -5.589
154 HB1 ALA 26 3HB ALA 26 -6.119 11.020 -4.658
155 HB2 ALA 26 1HB ALA 26 -5.755 10.110 -3.192
156 HB3 ALA 26 2HB ALA 26 -4.690 11.419 -3.705
157 H GLU 27 H GLU 27 -5.018 7.658 -3.352
158 HA GLU 27 HA GLU 27 -2.871 7.703 -1.584
159 HB2 GLU 27 1HB GLU 27 -4.776 5.561 -2.460
160 HB3 GLU 27 2HB GLU 27 -3.439 5.157 -1.393
161 HG2 GLU 27 1HG GLU 27 -5.719 5.733 -0.363
162 HG3 GLU 27 2HG GLU 27 -4.266 6.433 0.347
163 H LEU 28 H LEU 28 -3.183 6.198 -4.742
164 HA LEU 28 HA LEU 28 -0.745 4.716 -4.577
165 HB2 LEU 28 1HB LEU 28 -2.317 3.862 -6.078
166 HB3 LEU 28 2HB LEU 28 -2.623 5.442 -6.797
167 HG LEU 28 HG LEU 28 -0.377 5.353 -7.840
168 HD11 LEU 28 1HD1 LEU 28 0.821 3.920 -6.379
169 HD12 LEU 28 2HD1 LEU 28 0.707 3.089 -7.931
170 HD13 LEU 28 3HD1 LEU 28 -0.344 2.613 -6.597
171 HD21 LEU 28 3HD2 LEU 28 -2.192 3.027 -8.469
172 HD22 LEU 28 1HD2 LEU 28 -0.954 3.687 -9.537
173 HD23 LEU 28 2HD2 LEU 28 -2.351 4.669 -9.093
174 H VAL 29 H VAL 29 -1.695 7.746 -6.173
175 HA VAL 29 HA VAL 29 0.770 8.335 -7.357
176 HB VAL 29 HB VAL 29 -1.383 10.207 -6.368
177 HG11 VAL 29 1HG1 VAL 29 0.797 11.341 -6.551
178 HG12 VAL 29 2HG1 VAL 29 0.913 10.809 -8.230
179 HG13 VAL 29 3HG1 VAL 29 -0.366 11.921 -7.743
180 HG21 VAL 29 3HG2 VAL 29 -1.028 9.945 -9.232
181 HG22 VAL 29 1HG2 VAL 29 -1.388 8.397 -8.468
182 HG23 VAL 29 2HG2 VAL 29 -2.485 9.762 -8.255
183 H ARG 30 H ARG 30 -0.559 9.440 -4.241
184 HA ARG 30 HA ARG 30 1.655 10.941 -3.431
185 HB2 ARG 30 1HB ARG 30 0.698 10.954 -1.264
186 HB3 ARG 30 2HB ARG 30 -0.655 10.896 -2.386
187 HG2 ARG 30 1HG ARG 30 -0.789 8.448 -2.023
188 HG3 ARG 30 2HG ARG 30 0.477 8.601 -0.803
189 HD2 ARG 30 1HD ARG 30 -1.752 8.551 0.208
190 HD3 ARG 30 2HD ARG 30 -0.937 10.087 0.503
191 HE ARG 30 HE ARG 30 -3.309 9.646 -1.095
192 HH11 ARG 30 1HH1 ARG 30 -0.695 11.797 -0.284
193 HH12 ARG 30 2HH1 ARG 30 -1.518 13.217 -0.839
194 HH21 ARG 30 1HH2 ARG 30 -4.403 11.509 -1.829
195 HH22 ARG 30 2HH2 ARG 30 -3.627 13.052 -1.717
196 H HIS 31 H HIS 31 1.071 7.512 -3.380
197 HA HIS 31 HA HIS 31 3.129 6.847 -1.522
198 HB2 HIS 31 1HB HIS 31 1.635 5.113 -1.672
199 HB3 HIS 31 2HB HIS 31 1.366 5.350 -3.396
200 HD1 HIS 31 HD1 HIS 31 3.659 3.642 -0.976
201 HD2 HIS 31 HD2 HIS 31 3.058 3.908 -5.078
202 HE1 HIS 31 HE1 HIS 31 5.077 1.826 -1.982
203 H GLN 32 H GLN 32 2.919 6.761 -5.071
204 HA GLN 32 HA GLN 32 5.391 5.735 -5.685
205 HB2 GLN 32 1HB GLN 32 3.950 7.972 -7.120
206 HB3 GLN 32 2HB GLN 32 5.247 6.997 -7.798
207 HG2 GLN 32 1HG GLN 32 2.862 5.587 -6.742
208 HG3 GLN 32 2HG GLN 32 2.700 6.472 -8.258
209 HE21 GLN 32 1HE2 GLN 32 2.257 3.969 -8.590
210 HE22 GLN 32 2HE2 GLN 32 3.602 3.112 -9.254
211 H ARG 33 H ARG 33 4.695 8.680 -4.121
212 HA ARG 33 HA ARG 33 6.764 10.352 -4.878
213 HB2 ARG 33 1HB ARG 33 5.358 9.963 -2.247
214 HB3 ARG 33 2HB ARG 33 6.626 11.166 -2.438
215 HG2 ARG 33 1HG ARG 33 5.163 11.899 -4.497
216 HG3 ARG 33 2HG ARG 33 3.885 11.097 -3.580
217 HD2 ARG 33 1HD ARG 33 4.232 12.528 -1.704
218 HD3 ARG 33 2HD ARG 33 5.700 13.198 -2.414
219 HE ARG 33 HE ARG 33 3.388 13.622 -4.046
220 HH11 ARG 33 1HH1 ARG 33 5.174 14.812 -1.305
221 HH12 ARG 33 2HH1 ARG 33 4.592 16.436 -1.466
222 HH21 ARG 33 1HH2 ARG 33 2.615 15.756 -4.268
223 HH22 ARG 33 2HH2 ARG 33 3.136 16.972 -3.151
224 H ILE 34 H ILE 34 6.806 7.606 -2.682
225 HA ILE 34 HA ILE 34 9.384 8.037 -1.610
226 HB ILE 34 HB ILE 34 9.194 5.986 -0.590
227 HG12 ILE 34 1HG1 ILE 34 9.224 4.662 -2.666
228 HG13 ILE 34 2HG1 ILE 34 8.035 4.043 -1.525
229 HG21 ILE 34 1HG2 ILE 34 6.983 7.526 -0.585
230 HG22 ILE 34 2HG2 ILE 34 6.303 6.000 -1.148
231 HG23 ILE 34 3HG2 ILE 34 7.165 6.067 0.389
232 HD11 ILE 34 3HD1 ILE 34 7.455 4.292 -4.052
233 HD12 ILE 34 1HD1 ILE 34 6.261 4.693 -2.817
234 HD13 ILE 34 2HD1 ILE 34 7.171 5.977 -3.615
235 H HIS 35 H HIS 35 8.342 6.993 -4.682
236 HA HIS 35 HA HIS 35 10.809 5.577 -5.294
237 HB2 HIS 35 1HB HIS 35 8.353 6.180 -6.949
238 HB3 HIS 35 2HB HIS 35 9.756 5.308 -7.560
239 HD1 HIS 35 HD1 HIS 35 10.241 3.512 -5.052
240 HD2 HIS 35 HD2 HIS 35 6.565 4.106 -6.894
241 HE1 HIS 35 HE1 HIS 35 8.850 1.509 -4.438
242 H THR 36 H THR 36 9.896 8.732 -5.120
243 HA THR 36 HA THR 36 11.897 9.523 -7.131
244 HB THR 36 HB THR 36 10.608 11.550 -7.616
245 HG1 THR 36 HG1 THR 36 9.431 11.204 -5.421
246 HG21 THR 36 3HG2 THR 36 8.610 10.413 -8.707
247 HG22 THR 36 1HG2 THR 36 9.198 8.916 -7.984
248 HG23 THR 36 2HG2 THR 36 10.202 9.791 -9.140
249 H GLY 37 H GLY 37 13.473 10.815 -6.400
250 HA2 GLY 37 1HA GLY 37 14.285 12.664 -5.124
251 HA3 GLY 37 2HA GLY 37 13.007 12.375 -3.953
252 H GLU 38 H GLU 38 13.183 10.432 -2.612
253 HA GLU 38 HA GLU 38 15.647 10.240 -1.338
254 HB2 GLU 38 1HB GLU 38 13.258 8.405 -1.358
255 HB3 GLU 38 2HB GLU 38 14.672 8.085 -0.364
256 HG2 GLU 38 1HG GLU 38 14.355 10.114 0.858
257 HG3 GLU 38 2HG GLU 38 13.065 10.623 -0.230
258 H LYS 39 H LYS 39 17.453 9.113 -1.690
259 HA LYS 39 HA LYS 39 17.372 6.870 -3.589
260 HB2 LYS 39 1HB LYS 39 19.256 9.219 -3.581
261 HB3 LYS 39 2HB LYS 39 19.679 7.696 -4.352
262 HG2 LYS 39 1HG LYS 39 17.451 7.973 -5.617
263 HG3 LYS 39 2HG LYS 39 17.547 9.657 -5.097
264 HD2 LYS 39 1HD LYS 39 18.591 9.712 -7.165
265 HD3 LYS 39 2HD LYS 39 19.955 9.553 -6.057
266 HE2 LYS 39 1HE LYS 39 19.596 6.996 -6.440
267 HE3 LYS 39 2HE LYS 39 18.750 7.526 -7.893
268 HZ1 LYS 39 3HZ LYS 39 20.789 8.803 -8.466
269 HZ2 LYS 39 1HZ LYS 39 21.005 7.125 -8.463
270 HZ3 LYS 39 2HZ LYS 39 21.578 8.053 -7.171
271 HA PRO 40 HA PRO 40 19.601 4.699 -0.476
272 HB2 PRO 40 1HB PRO 40 20.736 2.773 -2.016
273 HB3 PRO 40 2HB PRO 40 19.017 2.784 -1.603
274 HG2 PRO 40 1HG PRO 40 20.368 3.695 -4.115
275 HG3 PRO 40 2HG PRO 40 18.877 2.754 -3.924
276 HD2 PRO 40 1HD PRO 40 18.867 5.412 -4.445
277 HD3 PRO 40 2HD PRO 40 17.607 4.624 -3.474
278 H SER 41 H SER 41 21.197 6.014 -3.281
279 HA SER 41 HA SER 41 23.505 6.729 -1.760
280 HB2 SER 41 1HB SER 41 23.898 4.278 -2.330
281 HB3 SER 41 2HB SER 41 24.015 4.785 -4.014
282 HG SER 41 HG SER 41 26.025 5.155 -3.533
283 H GLY 42 H GLY 42 25.309 7.464 -3.495
284 HA2 GLY 42 1HA GLY 42 24.118 9.620 -4.899
285 HA3 GLY 42 2HA GLY 42 25.807 9.140 -4.986
286 HA PRO 43 HA PRO 43 23.400 8.146 -8.960
287 HB2 PRO 43 1HB PRO 43 24.463 10.083 -10.538
288 HB3 PRO 43 2HB PRO 43 22.983 10.313 -9.600
289 HG2 PRO 43 1HG PRO 43 25.779 11.176 -8.969
290 HG3 PRO 43 2HG PRO 43 24.261 12.073 -8.778
291 HD2 PRO 43 1HD PRO 43 25.499 10.849 -6.705
292 HD3 PRO 43 2HD PRO 43 23.734 11.010 -6.803
293 H SER 44 H SER 44 24.546 6.297 -9.329
294 HA SER 44 HA SER 44 27.298 6.003 -9.485
295 HB2 SER 44 1HB SER 44 25.208 4.422 -11.003
296 HB3 SER 44 2HB SER 44 26.861 3.903 -10.674
297 HG SER 44 HG SER 44 26.367 3.898 -8.468
298 H SER 45 H SER 45 25.033 6.279 -12.229
299 HA SER 45 HA SER 45 27.109 6.574 -14.153
300 HB2 SER 45 1HB SER 45 24.126 6.863 -14.188
301 HB3 SER 45 2HB SER 45 25.068 7.459 -15.555
302 HG SER 45 HG SER 45 25.216 4.824 -14.511
303 H GLY 46 H GLY 46 28.459 8.269 -13.853
304 HA2 GLY 46 1HA GLY 46 28.658 10.593 -14.691
305 HA3 GLY 46 2HA GLY 46 27.215 10.949 -13.752
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -3.468 -26.920 4.981
2 HA2 GLY 1 1HA GLY 1 -4.791 -26.430 7.522
3 HA3 GLY 1 2HA GLY 1 -3.232 -25.645 7.319
4 H SER 2 H SER 2 -2.990 -24.044 5.694
5 HA SER 2 HA SER 2 -5.132 -22.270 5.472
6 HB2 SER 2 1HB SER 2 -3.730 -20.948 4.080
7 HB3 SER 2 2HB SER 2 -2.645 -21.772 5.199
8 HG SER 2 HG SER 2 -1.762 -22.048 3.210
9 H SER 3 H SER 3 -6.435 -21.654 3.712
10 HA SER 3 HA SER 3 -6.614 -23.586 1.504
11 HB2 SER 3 1HB SER 3 -8.860 -22.633 3.282
12 HB3 SER 3 2HB SER 3 -9.148 -23.332 1.689
13 HG SER 3 HG SER 3 -7.959 -25.192 2.451
14 H GLY 4 H GLY 4 -5.341 -21.120 1.361
15 HA2 GLY 4 1HA GLY 4 -5.230 -19.376 -0.144
16 HA3 GLY 4 2HA GLY 4 -6.756 -19.928 -0.818
17 H SER 5 H SER 5 -5.304 -17.393 0.650
18 HA SER 5 HA SER 5 -7.060 -16.487 2.597
19 HB2 SER 5 1HB SER 5 -4.937 -15.377 2.182
20 HB3 SER 5 2HB SER 5 -5.475 -14.883 0.577
21 HG SER 5 HG SER 5 -5.677 -13.229 2.197
22 H SER 6 H SER 6 -9.152 -16.053 2.524
23 HA SER 6 HA SER 6 -10.525 -15.772 0.007
24 HB2 SER 6 1HB SER 6 -11.361 -15.959 2.878
25 HB3 SER 6 2HB SER 6 -12.513 -15.370 1.680
26 HG SER 6 HG SER 6 -11.769 -17.889 2.190
27 H GLY 7 H GLY 7 -9.878 -13.707 2.820
28 HA2 GLY 7 1HA GLY 7 -11.206 -11.435 1.640
29 HA3 GLY 7 2HA GLY 7 -10.291 -11.448 3.141
30 H SER 8 H SER 8 -9.856 -11.607 -0.384
31 HA SER 8 HA SER 8 -7.164 -10.518 -0.106
32 HB2 SER 8 1HB SER 8 -7.778 -12.441 -1.688
33 HB3 SER 8 2HB SER 8 -8.542 -11.213 -2.698
34 HG SER 8 HG SER 8 -5.941 -10.715 -1.842
35 H GLY 9 H GLY 9 -6.684 -8.438 -0.398
36 HA2 GLY 9 1HA GLY 9 -8.826 -6.631 -1.240
37 HA3 GLY 9 2HA GLY 9 -7.339 -6.168 -0.426
38 H GLU 10 H GLU 10 -8.562 -7.437 -3.510
39 HA GLU 10 HA GLU 10 -6.186 -6.613 -4.921
40 HB2 GLU 10 1HB GLU 10 -7.816 -8.600 -5.436
41 HB3 GLU 10 2HB GLU 10 -8.739 -7.372 -6.291
42 HG2 GLU 10 1HG GLU 10 -7.128 -8.717 -7.676
43 HG3 GLU 10 2HG GLU 10 -6.990 -6.965 -7.810
44 H LYS 11 H LYS 11 -6.056 -4.387 -4.650
45 HA LYS 11 HA LYS 11 -8.257 -2.665 -5.329
46 HB2 LYS 11 1HB LYS 11 -5.352 -1.943 -4.904
47 HB3 LYS 11 2HB LYS 11 -6.722 -0.840 -4.879
48 HG2 LYS 11 1HG LYS 11 -6.401 -3.118 -2.943
49 HG3 LYS 11 2HG LYS 11 -5.808 -1.484 -2.637
50 HD2 LYS 11 1HD LYS 11 -7.925 -0.608 -2.437
51 HD3 LYS 11 2HD LYS 11 -8.651 -1.853 -3.455
52 HE2 LYS 11 1HE LYS 11 -7.517 -2.424 -0.727
53 HE3 LYS 11 2HE LYS 11 -9.198 -1.960 -0.985
54 HZ1 LYS 11 3HZ LYS 11 -8.914 -3.947 -2.754
55 HZ2 LYS 11 1HZ LYS 11 -9.498 -4.158 -1.180
56 HZ3 LYS 11 2HZ LYS 11 -7.873 -4.473 -1.529
57 HA PRO 12 HA PRO 12 -7.555 -2.193 -9.639
58 HB2 PRO 12 1HB PRO 12 -8.393 0.363 -10.004
59 HB3 PRO 12 2HB PRO 12 -9.503 -0.976 -9.691
60 HG2 PRO 12 1HG PRO 12 -8.427 1.074 -7.794
61 HG3 PRO 12 2HG PRO 12 -10.078 0.443 -7.941
62 HD2 PRO 12 1HD PRO 12 -8.356 -0.413 -6.035
63 HD3 PRO 12 2HD PRO 12 -9.587 -1.471 -6.755
64 H TYR 13 H TYR 13 -6.315 0.373 -7.537
65 HA TYR 13 HA TYR 13 -4.361 1.172 -9.539
66 HB2 TYR 13 1HB TYR 13 -4.787 2.222 -6.734
67 HB3 TYR 13 2HB TYR 13 -3.767 2.947 -7.971
68 HD1 TYR 13 HD1 TYR 13 -4.801 4.003 -9.962
69 HD2 TYR 13 HD2 TYR 13 -7.149 2.568 -6.717
70 HE1 TYR 13 HE1 TYR 13 -6.709 5.334 -10.761
71 HE2 TYR 13 HE2 TYR 13 -9.063 3.894 -7.508
72 HH TYR 13 HH TYR 13 -9.603 5.712 -8.876
73 H VAL 14 H VAL 14 -2.675 -0.163 -9.735
74 HA VAL 14 HA VAL 14 -1.349 -1.092 -7.270
75 HB VAL 14 HB VAL 14 -1.443 -2.431 -9.976
76 HG11 VAL 14 1HG1 VAL 14 -0.210 -4.270 -8.740
77 HG12 VAL 14 2HG1 VAL 14 0.728 -2.830 -9.142
78 HG13 VAL 14 3HG1 VAL 14 0.135 -3.068 -7.497
79 HG21 VAL 14 3HG2 VAL 14 -2.357 -3.647 -7.403
80 HG22 VAL 14 1HG2 VAL 14 -3.415 -2.543 -8.282
81 HG23 VAL 14 2HG2 VAL 14 -2.845 -4.022 -9.056
82 H CYS 15 H CYS 15 0.611 -0.300 -6.914
83 HA CYS 15 HA CYS 15 1.903 1.384 -8.830
84 HB2 CYS 15 1HB CYS 15 2.030 1.868 -6.435
85 HB3 CYS 15 2HB CYS 15 2.870 0.345 -6.158
86 H ASP 16 H ASP 16 2.216 -0.106 -10.577
87 HA ASP 16 HA ASP 16 3.466 -2.509 -10.633
88 HB2 ASP 16 1HB ASP 16 2.678 -1.539 -12.675
89 HB3 ASP 16 2HB ASP 16 3.800 -0.188 -12.535
90 H TYR 17 H TYR 17 4.899 0.536 -9.826
91 HA TYR 17 HA TYR 17 7.580 0.115 -10.313
92 HB2 TYR 17 1HB TYR 17 6.282 2.138 -9.235
93 HB3 TYR 17 2HB TYR 17 6.763 1.373 -7.725
94 HD1 TYR 17 HD2 TYR 17 9.341 0.707 -7.633
95 HD2 TYR 17 HD1 TYR 17 7.691 3.726 -10.137
96 HE1 TYR 17 HE2 TYR 17 11.551 1.775 -7.791
97 HE2 TYR 17 HE1 TYR 17 9.897 4.802 -10.303
98 HH TYR 17 HH TYR 17 12.492 3.735 -9.994
99 H CYS 18 H CYS 18 6.040 -0.420 -7.139
100 HA CYS 18 HA CYS 18 8.107 -2.427 -6.563
101 HB2 CYS 18 1HB CYS 18 7.419 -2.126 -4.186
102 HB3 CYS 18 2HB CYS 18 8.028 -0.651 -4.930
103 H GLY 19 H GLY 19 4.610 -1.879 -6.469
104 HA2 GLY 19 1HA GLY 19 3.271 -3.802 -7.300
105 HA3 GLY 19 2HA GLY 19 4.260 -4.806 -6.249
106 H LYS 20 H LYS 20 2.950 -1.641 -5.432
107 HA LYS 20 HA LYS 20 1.575 -2.856 -3.160
108 HB2 LYS 20 1HB LYS 20 3.128 -0.709 -3.178
109 HB3 LYS 20 2HB LYS 20 1.626 0.094 -3.616
110 HG2 LYS 20 1HG LYS 20 1.504 0.296 -1.362
111 HG3 LYS 20 2HG LYS 20 0.716 -1.273 -1.542
112 HD2 LYS 20 1HD LYS 20 2.674 -2.435 -0.899
113 HD3 LYS 20 2HD LYS 20 3.673 -0.989 -1.061
114 HE2 LYS 20 1HE LYS 20 3.348 -1.295 1.256
115 HE3 LYS 20 2HE LYS 20 2.271 0.021 0.789
116 HZ1 LYS 20 3HZ LYS 20 0.412 -1.359 0.931
117 HZ2 LYS 20 1HZ LYS 20 1.331 -1.776 2.288
118 HZ3 LYS 20 2HZ LYS 20 1.331 -2.779 0.926
119 H ALA 21 H ALA 21 -0.612 -2.249 -2.624
120 HA ALA 21 HA ALA 21 -2.227 -1.659 -5.018
121 HB1 ALA 21 3HB ALA 21 -2.954 -3.754 -4.524
122 HB2 ALA 21 1HB ALA 21 -2.569 -3.605 -2.809
123 HB3 ALA 21 2HB ALA 21 -4.024 -2.846 -3.456
124 H PHE 22 H PHE 22 -3.994 -0.272 -4.835
125 HA PHE 22 HA PHE 22 -4.529 1.035 -2.301
126 HB2 PHE 22 1HB PHE 22 -3.727 2.722 -4.672
127 HB3 PHE 22 2HB PHE 22 -4.031 3.257 -3.022
128 HD1 PHE 22 HD2 PHE 22 -2.429 2.581 -1.213
129 HD2 PHE 22 HD1 PHE 22 -1.598 2.008 -5.348
130 HE1 PHE 22 HE2 PHE 22 -0.036 2.345 -0.696
131 HE2 PHE 22 HE1 PHE 22 0.797 1.771 -4.837
132 HZ PHE 22 HZ PHE 22 1.581 1.940 -2.509
133 H GLY 23 H GLY 23 -6.625 1.558 -2.122
134 HA2 GLY 23 1HA GLY 23 -8.428 0.884 -4.234
135 HA3 GLY 23 2HA GLY 23 -8.862 1.574 -2.677
136 H LEU 24 H LEU 24 -7.297 3.932 -2.845
137 HA LEU 24 HA LEU 24 -8.888 5.400 -4.825
138 HB2 LEU 24 1HB LEU 24 -7.597 6.143 -2.232
139 HB3 LEU 24 2HB LEU 24 -7.984 7.389 -3.416
140 HG LEU 24 HG LEU 24 -9.729 7.276 -1.761
141 HD11 LEU 24 1HD1 LEU 24 -11.584 7.172 -3.179
142 HD12 LEU 24 2HD1 LEU 24 -10.853 5.931 -4.195
143 HD13 LEU 24 3HD1 LEU 24 -10.241 7.584 -4.244
144 HD21 LEU 24 3HD2 LEU 24 -10.341 4.454 -2.565
145 HD22 LEU 24 1HD2 LEU 24 -10.888 5.352 -1.148
146 HD23 LEU 24 2HD2 LEU 24 -9.214 4.808 -1.255
147 H SER 25 H SER 25 -7.973 6.678 -6.369
148 HA SER 25 HA SER 25 -5.448 6.055 -7.355
149 HB2 SER 25 1HB SER 25 -5.720 8.131 -8.752
150 HB3 SER 25 2HB SER 25 -7.094 7.029 -8.814
151 HG SER 25 HG SER 25 -8.295 8.535 -7.987
152 H ALA 26 H ALA 26 -6.452 9.026 -5.659
153 HA ALA 26 HA ALA 26 -4.104 10.391 -5.535
154 HB1 ALA 26 3HB ALA 26 -4.937 11.544 -3.669
155 HB2 ALA 26 1HB ALA 26 -6.370 11.016 -4.552
156 HB3 ALA 26 2HB ALA 26 -5.854 10.146 -3.107
157 H GLU 27 H GLU 27 -5.101 7.766 -3.358
158 HA GLU 27 HA GLU 27 -2.977 7.798 -1.590
159 HB2 GLU 27 1HB GLU 27 -4.524 5.439 -2.672
160 HB3 GLU 27 2HB GLU 27 -3.418 5.345 -1.309
161 HG2 GLU 27 1HG GLU 27 -4.799 6.983 -0.103
162 HG3 GLU 27 2HG GLU 27 -5.927 7.000 -1.457
163 H LEU 28 H LEU 28 -3.199 6.212 -4.749
164 HA LEU 28 HA LEU 28 -0.707 4.910 -4.661
165 HB2 LEU 28 1HB LEU 28 -2.328 4.241 -6.274
166 HB3 LEU 28 2HB LEU 28 -2.398 5.863 -6.961
167 HG LEU 28 HG LEU 28 -0.028 5.542 -7.720
168 HD11 LEU 28 1HD1 LEU 28 -0.101 3.351 -6.041
169 HD12 LEU 28 2HD1 LEU 28 1.148 3.719 -7.229
170 HD13 LEU 28 3HD1 LEU 28 -0.186 2.648 -7.656
171 HD21 LEU 28 3HD2 LEU 28 -1.834 3.430 -8.854
172 HD22 LEU 28 1HD2 LEU 28 -0.651 4.440 -9.687
173 HD23 LEU 28 2HD2 LEU 28 -2.151 5.150 -9.090
174 H VAL 29 H VAL 29 -1.653 8.128 -5.757
175 HA VAL 29 HA VAL 29 0.784 8.876 -6.934
176 HB VAL 29 HB VAL 29 -1.284 10.616 -5.584
177 HG11 VAL 29 1HG1 VAL 29 0.681 11.530 -7.656
178 HG12 VAL 29 2HG1 VAL 29 -0.289 12.495 -6.542
179 HG13 VAL 29 3HG1 VAL 29 1.081 11.561 -5.939
180 HG21 VAL 29 3HG2 VAL 29 -1.835 9.100 -7.642
181 HG22 VAL 29 1HG2 VAL 29 -2.383 10.775 -7.601
182 HG23 VAL 29 2HG2 VAL 29 -0.955 10.337 -8.538
183 H ARG 30 H ARG 30 -0.471 9.654 -3.684
184 HA ARG 30 HA ARG 30 1.869 10.884 -2.747
185 HB2 ARG 30 1HB ARG 30 -0.242 9.425 -1.148
186 HB3 ARG 30 2HB ARG 30 0.924 10.575 -0.508
187 HG2 ARG 30 1HG ARG 30 -0.074 12.343 -1.872
188 HG3 ARG 30 2HG ARG 30 -1.249 11.186 -2.501
189 HD2 ARG 30 1HD ARG 30 -0.922 11.859 0.419
190 HD3 ARG 30 2HD ARG 30 -2.105 12.617 -0.646
191 HE ARG 30 HE ARG 30 -3.362 10.683 -0.598
192 HH11 ARG 30 1HH1 ARG 30 -0.270 10.145 0.909
193 HH12 ARG 30 2HH1 ARG 30 -0.718 8.612 1.580
194 HH21 ARG 30 1HH2 ARG 30 -3.963 8.665 0.281
195 HH22 ARG 30 2HH2 ARG 30 -2.818 7.771 1.222
196 H HIS 31 H HIS 31 1.289 7.655 -3.479
197 HA HIS 31 HA HIS 31 3.202 6.609 -1.542
198 HB2 HIS 31 1HB HIS 31 1.456 5.097 -1.753
199 HB3 HIS 31 2HB HIS 31 1.276 5.386 -3.480
200 HD1 HIS 31 HD1 HIS 31 3.341 3.449 -1.017
201 HD2 HIS 31 HD2 HIS 31 2.820 3.768 -5.126
202 HE1 HIS 31 HE1 HIS 31 4.589 1.502 -2.006
203 H GLN 32 H GLN 32 2.774 6.339 -5.077
204 HA GLN 32 HA GLN 32 5.183 5.313 -5.794
205 HB2 GLN 32 1HB GLN 32 3.441 7.351 -7.144
206 HB3 GLN 32 2HB GLN 32 4.949 6.832 -7.885
207 HG2 GLN 32 1HG GLN 32 4.139 4.495 -7.785
208 HG3 GLN 32 2HG GLN 32 2.599 5.094 -7.171
209 HE21 GLN 32 1HE2 GLN 32 3.469 3.690 -9.697
210 HE22 GLN 32 2HE2 GLN 32 2.787 4.643 -10.967
211 H ARG 33 H ARG 33 4.511 8.633 -4.858
212 HA ARG 33 HA ARG 33 6.743 9.978 -5.656
213 HB2 ARG 33 1HB ARG 33 6.370 11.511 -3.890
214 HB3 ARG 33 2HB ARG 33 4.789 10.863 -4.306
215 HG2 ARG 33 1HG ARG 33 5.005 9.280 -2.400
216 HG3 ARG 33 2HG ARG 33 6.498 10.107 -1.949
217 HD2 ARG 33 1HD ARG 33 5.223 12.217 -1.756
218 HD3 ARG 33 2HD ARG 33 3.744 11.326 -2.113
219 HE ARG 33 HE ARG 33 3.706 10.643 0.060
220 HH11 ARG 33 1HH1 ARG 33 6.953 11.609 -0.739
221 HH12 ARG 33 2HH1 ARG 33 7.549 11.410 0.876
222 HH21 ARG 33 1HH2 ARG 33 4.478 10.377 2.190
223 HH22 ARG 33 2HH2 ARG 33 6.140 10.708 2.541
224 H ILE 34 H ILE 34 6.462 7.768 -2.917
225 HA ILE 34 HA ILE 34 8.834 8.171 -1.608
226 HB ILE 34 HB ILE 34 8.702 5.967 -0.768
227 HG12 ILE 34 1HG1 ILE 34 6.969 5.260 -3.146
228 HG13 ILE 34 2HG1 ILE 34 8.663 4.819 -2.963
229 HG21 ILE 34 1HG2 ILE 34 6.368 7.573 -1.029
230 HG22 ILE 34 2HG2 ILE 34 5.890 5.877 -1.070
231 HG23 ILE 34 3HG2 ILE 34 6.826 6.496 0.290
232 HD11 ILE 34 3HD1 ILE 34 6.462 3.961 -1.101
233 HD12 ILE 34 1HD1 ILE 34 7.100 2.990 -2.428
234 HD13 ILE 34 2HD1 ILE 34 8.144 3.430 -1.076
235 H HIS 35 H HIS 35 8.308 6.489 -4.650
236 HA HIS 35 HA HIS 35 11.015 5.531 -4.831
237 HB2 HIS 35 1HB HIS 35 8.973 5.718 -7.051
238 HB3 HIS 35 2HB HIS 35 10.392 4.676 -6.989
239 HD1 HIS 35 HD1 HIS 35 10.231 3.065 -4.616
240 HD2 HIS 35 HD2 HIS 35 6.756 4.285 -6.538
241 HE1 HIS 35 HE1 HIS 35 8.449 1.456 -3.868
242 H THR 36 H THR 36 9.314 8.404 -5.689
243 HA THR 36 HA THR 36 11.765 9.454 -6.926
244 HB THR 36 HB THR 36 10.383 9.084 -8.816
245 HG1 THR 36 HG1 THR 36 11.305 11.256 -8.567
246 HG21 THR 36 3HG2 THR 36 8.096 9.449 -8.962
247 HG22 THR 36 1HG2 THR 36 8.096 10.624 -7.647
248 HG23 THR 36 2HG2 THR 36 8.278 8.905 -7.294
249 H GLY 37 H GLY 37 12.433 10.813 -5.358
250 HA2 GLY 37 1HA GLY 37 10.987 13.227 -4.908
251 HA3 GLY 37 2HA GLY 37 10.905 12.176 -3.502
252 H GLU 38 H GLU 38 13.380 11.072 -3.387
253 HA GLU 38 HA GLU 38 15.031 13.415 -2.776
254 HB2 GLU 38 1HB GLU 38 14.435 11.544 -1.075
255 HB3 GLU 38 2HB GLU 38 15.662 10.609 -1.917
256 HG2 GLU 38 1HG GLU 38 17.380 11.964 -1.209
257 HG3 GLU 38 2HG GLU 38 16.319 13.346 -0.937
258 H LYS 39 H LYS 39 16.918 13.816 -3.769
259 HA LYS 39 HA LYS 39 17.555 12.684 -6.225
260 HB2 LYS 39 1HB LYS 39 18.346 14.901 -5.179
261 HB3 LYS 39 2HB LYS 39 19.623 13.945 -4.438
262 HG2 LYS 39 1HG LYS 39 20.083 13.138 -6.855
263 HG3 LYS 39 2HG LYS 39 19.159 14.567 -7.323
264 HD2 LYS 39 1HD LYS 39 21.256 15.471 -7.268
265 HD3 LYS 39 2HD LYS 39 20.781 15.737 -5.589
266 HE2 LYS 39 1HE LYS 39 22.980 14.827 -5.566
267 HE3 LYS 39 2HE LYS 39 21.883 13.555 -5.030
268 HZ1 LYS 39 3HZ LYS 39 21.988 12.543 -7.180
269 HZ2 LYS 39 1HZ LYS 39 23.571 12.794 -6.638
270 HZ3 LYS 39 2HZ LYS 39 22.904 13.821 -7.805
271 HA PRO 40 HA PRO 40 19.402 8.830 -5.067
272 HB2 PRO 40 1HB PRO 40 20.431 8.208 -7.500
273 HB3 PRO 40 2HB PRO 40 18.711 8.068 -7.121
274 HG2 PRO 40 1HG PRO 40 20.160 10.253 -8.565
275 HG3 PRO 40 2HG PRO 40 18.607 9.493 -8.956
276 HD2 PRO 40 1HD PRO 40 18.783 11.894 -7.717
277 HD3 PRO 40 2HD PRO 40 17.457 10.755 -7.408
278 H SER 41 H SER 41 21.145 9.015 -3.776
279 HA SER 41 HA SER 41 23.573 10.279 -4.820
280 HB2 SER 41 1HB SER 41 24.343 10.285 -2.482
281 HB3 SER 41 2HB SER 41 22.769 11.065 -2.634
282 HG SER 41 HG SER 41 21.807 9.322 -1.720
283 H GLY 42 H GLY 42 23.999 8.444 -6.232
284 HA2 GLY 42 1HA GLY 42 24.531 5.858 -5.124
285 HA3 GLY 42 2HA GLY 42 24.922 6.394 -6.751
286 HA PRO 43 HA PRO 43 28.667 6.330 -3.730
287 HB2 PRO 43 1HB PRO 43 29.575 3.797 -4.093
288 HB3 PRO 43 2HB PRO 43 28.447 4.238 -2.805
289 HG2 PRO 43 1HG PRO 43 27.889 2.979 -5.463
290 HG3 PRO 43 2HG PRO 43 27.216 2.579 -3.872
291 HD2 PRO 43 1HD PRO 43 25.870 4.065 -5.691
292 HD3 PRO 43 2HD PRO 43 25.694 4.308 -3.941
293 H SER 44 H SER 44 28.279 4.538 -6.781
294 HA SER 44 HA SER 44 30.713 4.447 -7.861
295 HB2 SER 44 1HB SER 44 28.727 3.816 -9.126
296 HB3 SER 44 2HB SER 44 28.255 5.508 -9.277
297 HG SER 44 HG SER 44 29.346 5.339 -11.080
298 H SER 45 H SER 45 28.713 7.369 -8.309
299 HA SER 45 HA SER 45 30.784 8.972 -9.302
300 HB2 SER 45 1HB SER 45 28.522 9.666 -9.660
301 HB3 SER 45 2HB SER 45 28.188 9.689 -7.929
302 HG SER 45 HG SER 45 29.117 11.586 -7.765
303 H GLY 46 H GLY 46 32.640 8.908 -8.088
304 HA2 GLY 46 1HA GLY 46 34.073 9.837 -6.522
305 HA3 GLY 46 2HA GLY 46 32.689 10.614 -5.767
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